diff --git a/unidock_tools/tests/inputs/unidock_pipeline/one_ligand_failed/protein.pdb b/unidock_tools/tests/inputs/unidock_pipeline/one_ligand_failed/protein.pdb index eb222f5..a7ec8ba 100644 --- a/unidock_tools/tests/inputs/unidock_pipeline/one_ligand_failed/protein.pdb +++ b/unidock_tools/tests/inputs/unidock_pipeline/one_ligand_failed/protein.pdb @@ -4,10 +4,10 @@ ATOM 1 N GLU A 23 67.572 -9.601 52.109 ATOM 2 CA GLU A 23 67.899 -10.534 53.180 ATOM 3 HA GLU A 23 68.976 -10.603 53.282 ATOM 4 CB GLU A 23 67.339 -10.025 54.511 -ATOM 5 HB1 GLU A 23 66.285 -10.322 54.696 +ATOM 5 HB3 GLU A 23 66.285 -10.322 54.696 ATOM 6 HB2 GLU A 23 67.898 -10.388 55.400 ATOM 7 CG GLU A 23 67.345 -8.497 54.640 -ATOM 8 HG1 GLU A 23 66.973 -7.979 53.730 +ATOM 8 HG3 GLU A 23 66.973 -7.979 53.730 ATOM 9 HG2 GLU A 23 66.711 -8.125 55.473 ATOM 10 CD GLU A 23 68.731 -7.921 54.897 ATOM 11 OE1 GLU A 23 69.406 -8.382 55.842 @@ -15,11 +15,11 @@ ATOM 12 OE2 GLU A 23 69.144 -6.998 54.159 ATOM 13 C GLU A 23 67.372 -11.936 52.838 ATOM 14 O GLU A 23 67.546 -12.398 51.711 ATOM 15 N ASP A 24 66.724 -12.609 53.788 -ATOM 16 HN ASP A 24 66.461 -12.131 54.625 +ATOM 16 H ASP A 24 66.461 -12.131 54.625 ATOM 17 CA ASP A 24 66.386 -14.022 53.645 ATOM 18 HA ASP A 24 66.825 -14.361 52.714 ATOM 19 CB ASP A 24 66.962 -14.839 54.804 -ATOM 20 HB1 ASP A 24 66.861 -14.323 55.782 +ATOM 20 HB3 ASP A 24 66.861 -14.323 55.782 ATOM 21 HB2 ASP A 24 66.463 -15.825 54.922 ATOM 22 CG ASP A 24 68.438 -15.132 54.633 ATOM 23 OD1 ASP A 24 68.833 -15.580 53.535 @@ -27,7 +27,7 @@ ATOM 24 OD2 ASP A 24 69.203 -14.912 55.595 ATOM 25 C ASP A 24 64.878 -14.236 53.573 ATOM 26 O ASP A 24 64.117 -13.631 54.336 ATOM 27 N VAL A 25 64.460 -15.119 52.660 -ATOM 28 HN VAL A 25 65.127 -15.551 52.055 +ATOM 28 H VAL A 25 65.127 -15.551 52.055 ATOM 29 CA VAL A 25 63.048 -15.463 52.531 ATOM 30 HA VAL A 25 62.478 -14.563 52.331 ATOM 31 CB VAL A 25 62.833 -16.422 51.348 @@ -43,7 +43,7 @@ ATOM 40 HG23 VAL A 25 64.292 -15.448 50.065 ATOM 41 C VAL A 25 62.546 -16.070 53.833 ATOM 42 O VAL A 25 63.216 -16.902 54.459 ATOM 43 N VAL A 26 61.353 -15.652 54.244 -ATOM 44 HN VAL A 26 60.806 -15.080 53.635 +ATOM 44 H VAL A 26 60.806 -15.080 53.635 ATOM 45 CA VAL A 26 60.816 -16.000 55.552 ATOM 46 HA VAL A 26 61.631 -16.420 56.131 ATOM 47 CB VAL A 26 60.284 -14.735 56.262 @@ -59,11 +59,11 @@ ATOM 56 HG23 VAL A 26 61.858 -13.451 55.496 ATOM 57 C VAL A 26 59.736 -17.079 55.482 ATOM 58 O VAL A 26 59.521 -17.783 56.481 ATOM 59 N TRP A 27 59.089 -17.267 54.338 -ATOM 60 HN TRP A 27 59.395 -16.774 53.525 +ATOM 60 H TRP A 27 59.395 -16.774 53.525 ATOM 61 CA TRP A 27 57.950 -18.165 54.225 ATOM 62 HA TRP A 27 57.641 -18.431 55.229 ATOM 63 CB TRP A 27 56.790 -17.469 53.509 -ATOM 64 HB1 TRP A 27 57.028 -17.182 52.462 +ATOM 64 HB3 TRP A 27 57.028 -17.182 52.462 ATOM 65 HB2 TRP A 27 55.875 -18.096 53.442 ATOM 66 CG TRP A 27 56.356 -16.206 54.176 ATOM 67 CD1 TRP A 27 56.772 -14.937 53.886 @@ -83,17 +83,17 @@ ATOM 80 HH2 TRP A 27 53.088 -14.830 58.060 ATOM 81 C TRP A 27 58.322 -19.446 53.488 ATOM 82 O TRP A 27 59.401 -19.577 52.903 ATOM 83 N ARG A 28 57.394 -20.400 53.538 -ATOM 84 HN ARG A 28 56.614 -20.265 54.148 +ATOM 84 H ARG A 28 56.614 -20.265 54.148 ATOM 85 CA ARG A 28 57.447 -21.627 52.758 ATOM 86 HA ARG A 28 58.133 -21.500 51.929 ATOM 87 CB ARG A 28 57.979 -22.808 53.580 -ATOM 88 HB1 ARG A 28 58.110 -23.736 52.984 +ATOM 88 HB3 ARG A 28 58.110 -23.736 52.984 ATOM 89 HB2 ARG A 28 58.971 -22.613 54.041 ATOM 90 CG ARG A 28 57.072 -23.197 54.732 -ATOM 91 HG1 ARG A 28 56.957 -22.375 55.471 +ATOM 91 HG3 ARG A 28 56.957 -22.375 55.471 ATOM 92 HG2 ARG A 28 56.049 -23.462 54.389 ATOM 93 CD ARG A 28 57.601 -24.401 55.497 -ATOM 94 HD1 ARG A 28 58.581 -24.180 55.972 +ATOM 94 HD3 ARG A 28 58.581 -24.180 55.972 ATOM 95 HD2 ARG A 28 57.743 -25.276 54.827 ATOM 96 NE ARG A 28 56.679 -24.805 56.558 ATOM 97 HE ARG A 28 56.828 -24.433 57.473 @@ -107,11 +107,11 @@ ATOM 104 HH22 ARG A 28 55.045 -25.547 58.305 ATOM 105 C ARG A 28 56.038 -21.912 52.258 ATOM 106 O ARG A 28 55.062 -21.324 52.731 ATOM 107 N TRP A 29 55.927 -22.814 51.288 -ATOM 108 HN TRP A 29 56.744 -23.285 50.959 +ATOM 108 H TRP A 29 56.744 -23.285 50.959 ATOM 109 CA TRP A 29 54.636 -23.127 50.698 ATOM 110 HA TRP A 29 53.869 -22.638 51.288 ATOM 111 CB TRP A 29 54.533 -22.590 49.266 -ATOM 112 HB1 TRP A 29 55.454 -22.795 48.680 +ATOM 112 HB3 TRP A 29 55.454 -22.795 48.680 ATOM 113 HB2 TRP A 29 53.687 -23.049 48.711 ATOM 114 CG TRP A 29 54.320 -21.114 49.240 ATOM 115 CD1 TRP A 29 53.133 -20.459 49.077 @@ -131,32 +131,32 @@ ATOM 128 HH2 TRP A 29 57.267 -16.782 49.721 ATOM 129 C TRP A 29 54.390 -24.627 50.730 ATOM 130 O TRP A 29 55.322 -25.431 50.648 ATOM 131 N SER A 30 53.115 -24.989 50.863 -ATOM 132 HN SER A 30 52.418 -24.274 50.882 +ATOM 132 H SER A 30 52.418 -24.274 50.882 ATOM 133 CA SER A 30 52.688 -26.376 50.982 ATOM 134 HA SER A 30 53.482 -27.030 50.640 ATOM 135 CB SER A 30 52.393 -26.734 52.443 -ATOM 136 HB1 SER A 30 53.256 -26.501 53.103 +ATOM 136 HB3 SER A 30 53.256 -26.501 53.103 ATOM 137 HB2 SER A 30 51.518 -26.171 52.833 ATOM 138 OG SER A 30 52.108 -28.113 52.594 -ATOM 139 HG1 SER A 30 51.922 -28.338 53.514 +ATOM 139 HG SER A 30 51.922 -28.338 53.514 ATOM 140 C SER A 30 51.448 -26.575 50.125 ATOM 141 O SER A 30 50.502 -25.787 50.211 ATOM 142 N CYX A 31 51.454 -27.621 49.302 -ATOM 143 HN CYX A 31 52.241 -28.237 49.293 +ATOM 143 H CYX A 31 52.241 -28.237 49.293 ATOM 144 CA CYX A 31 50.329 -27.879 48.415 ATOM 145 HA CYX A 31 50.035 -26.942 47.956 ATOM 146 CB CYX A 31 50.727 -28.855 47.311 -ATOM 147 HB1 CYX A 31 51.605 -28.525 46.715 +ATOM 147 HB3 CYX A 31 51.605 -28.525 46.715 ATOM 148 HB2 CYX A 31 51.000 -29.866 47.683 ATOM 149 SG CYX A 31 49.430 -29.147 46.096 ATOM 150 C CYX A 31 49.150 -28.431 49.204 ATOM 151 O CYX A 31 49.305 -29.345 50.019 ATOM 152 N ASP A 32 47.967 -27.876 48.951 -ATOM 153 HN ASP A 32 47.905 -27.169 48.248 +ATOM 153 H ASP A 32 47.905 -27.169 48.248 ATOM 154 CA ASP A 32 46.759 -28.268 49.668 ATOM 155 HA ASP A 32 46.826 -29.304 49.979 ATOM 156 CB ASP A 32 46.584 -27.444 50.939 -ATOM 157 HB1 ASP A 32 47.489 -27.450 51.584 +ATOM 157 HB3 ASP A 32 47.489 -27.450 51.584 ATOM 158 HB2 ASP A 32 46.364 -26.375 50.732 ATOM 159 CG ASP A 32 45.449 -27.942 51.809 ATOM 160 OD1 ASP A 32 44.801 -28.944 51.438 @@ -164,11 +164,11 @@ ATOM 161 OD2 ASP A 32 45.204 -27.329 52.868 ATOM 162 C ASP A 32 45.582 -28.082 48.722 ATOM 163 O ASP A 32 45.191 -26.945 48.439 ATOM 164 N ASN A 33 45.030 -29.195 48.240 -ATOM 165 HN ASN A 33 45.414 -30.075 48.517 +ATOM 165 H ASN A 33 45.414 -30.075 48.517 ATOM 166 CA ASN A 33 43.890 -29.191 47.325 ATOM 167 HA ASN A 33 43.731 -30.209 46.989 ATOM 168 CB ASN A 33 42.618 -28.727 48.038 -ATOM 169 HB1 ASN A 33 42.735 -27.732 48.517 +ATOM 169 HB3 ASN A 33 42.735 -27.732 48.517 ATOM 170 HB2 ASN A 33 41.750 -28.638 47.350 ATOM 171 CG ASN A 33 42.186 -29.678 49.141 ATOM 172 OD1 ASN A 33 41.392 -30.590 48.913 @@ -178,27 +178,27 @@ ATOM 175 HD22 ASN A 33 43.353 -28.727 50.530 ATOM 176 C ASN A 33 44.174 -28.337 46.090 ATOM 177 O ASN A 33 43.365 -27.504 45.676 ATOM 178 N GLY A 34 45.347 -28.554 45.498 -ATOM 179 HN GLY A 34 45.982 -29.216 45.894 +ATOM 179 H GLY A 34 45.982 -29.216 45.894 ATOM 180 CA GLY A 34 45.718 -27.845 44.288 -ATOM 181 HA1 GLY A 34 46.578 -28.272 43.728 +ATOM 181 HA3 GLY A 34 46.578 -28.272 43.728 ATOM 182 HA2 GLY A 34 44.927 -27.778 43.511 ATOM 183 C GLY A 34 46.124 -26.403 44.478 ATOM 184 O GLY A 34 46.264 -25.680 43.486 ATOM 185 N LYS A 35 46.330 -25.958 45.714 -ATOM 186 HN LYS A 35 46.236 -26.597 46.476 +ATOM 186 H LYS A 35 46.236 -26.597 46.476 ATOM 187 CA LYS A 35 46.687 -24.576 46.001 ATOM 188 HA LYS A 35 46.876 -24.056 45.069 ATOM 189 CB LYS A 35 45.542 -23.850 46.715 -ATOM 190 HB1 LYS A 35 45.236 -24.314 47.677 +ATOM 190 HB3 LYS A 35 45.236 -24.314 47.677 ATOM 191 HB2 LYS A 35 45.765 -22.794 46.979 ATOM 192 CG LYS A 35 44.254 -23.771 45.911 -ATOM 193 HG1 LYS A 35 44.342 -23.050 45.070 +ATOM 193 HG3 LYS A 35 44.342 -23.050 45.070 ATOM 194 HG2 LYS A 35 43.985 -24.757 45.476 ATOM 195 CD LYS A 35 43.082 -23.320 46.776 -ATOM 196 HD1 LYS A 35 42.187 -23.078 46.163 +ATOM 196 HD3 LYS A 35 42.187 -23.078 46.163 ATOM 197 HD2 LYS A 35 43.331 -22.411 47.365 ATOM 198 CE LYS A 35 42.666 -24.397 47.769 -ATOM 199 HE1 LYS A 35 43.414 -24.527 48.580 +ATOM 199 HE3 LYS A 35 43.414 -24.527 48.580 ATOM 200 HE2 LYS A 35 42.544 -25.388 47.282 ATOM 201 NZ LYS A 35 41.367 -24.078 48.428 ATOM 202 HZ1 LYS A 35 41.094 -24.785 49.079 @@ -207,17 +207,17 @@ ATOM 204 HZ3 LYS A 35 40.623 -23.992 47.767 ATOM 205 C LYS A 35 47.939 -24.562 46.864 ATOM 206 O LYS A 35 48.034 -25.321 47.832 ATOM 207 N CYX A 36 48.898 -23.709 46.513 -ATOM 208 HN CYX A 36 48.789 -23.163 45.684 +ATOM 208 H CYX A 36 48.789 -23.163 45.684 ATOM 209 CA CYX A 36 50.106 -23.557 47.317 ATOM 210 HA CYX A 36 50.399 -24.517 47.726 ATOM 211 CB CYX A 36 51.275 -23.069 46.465 -ATOM 212 HB1 CYX A 36 51.023 -22.295 45.709 +ATOM 212 HB3 CYX A 36 51.023 -22.295 45.709 ATOM 213 HB2 CYX A 36 52.113 -22.604 47.027 ATOM 214 SG CYX A 36 52.106 -24.347 45.479 ATOM 215 C CYX A 36 49.806 -22.590 48.455 ATOM 216 O CYX A 36 49.559 -21.402 48.223 ATOM 217 N VAL A 37 49.825 -23.100 49.685 -ATOM 218 HN VAL A 37 50.107 -24.052 49.798 +ATOM 218 H VAL A 37 50.107 -24.052 49.798 ATOM 219 CA VAL A 37 49.456 -22.342 50.876 ATOM 220 HA VAL A 37 48.801 -21.524 50.599 ATOM 221 CB VAL A 37 48.682 -23.225 51.872 @@ -233,20 +233,20 @@ ATOM 230 HG23 VAL A 37 47.613 -24.343 50.338 ATOM 231 C VAL A 37 50.723 -21.786 51.509 ATOM 232 O VAL A 37 51.688 -22.527 51.734 ATOM 233 N LYS A 38 50.726 -20.486 51.796 -ATOM 234 HN LYS A 38 49.926 -19.931 51.574 +ATOM 234 H LYS A 38 49.926 -19.931 51.574 ATOM 235 CA LYS A 38 51.878 -19.861 52.429 ATOM 236 HA LYS A 38 52.777 -20.296 52.007 ATOM 237 CB LYS A 38 51.902 -18.358 52.157 -ATOM 238 HB1 LYS A 38 51.635 -18.090 51.112 +ATOM 238 HB3 LYS A 38 51.635 -18.090 51.112 ATOM 239 HB2 LYS A 38 51.197 -17.779 52.791 ATOM 240 CG LYS A 38 53.260 -17.717 52.393 -ATOM 241 HG1 LYS A 38 53.569 -17.796 53.457 +ATOM 241 HG3 LYS A 38 53.569 -17.796 53.457 ATOM 242 HG2 LYS A 38 54.051 -18.201 51.782 ATOM 243 CD LYS A 38 53.250 -16.240 52.033 -ATOM 244 HD1 LYS A 38 52.593 -16.043 51.159 +ATOM 244 HD3 LYS A 38 52.593 -16.043 51.159 ATOM 245 HD2 LYS A 38 54.269 -15.881 51.775 ATOM 246 CE LYS A 38 52.744 -15.394 53.190 -ATOM 247 HE1 LYS A 38 53.226 -15.676 54.150 +ATOM 247 HE3 LYS A 38 53.226 -15.676 54.150 ATOM 248 HE2 LYS A 38 51.648 -15.502 53.333 ATOM 249 NZ LYS A 38 53.014 -13.947 52.977 ATOM 250 HZ1 LYS A 38 52.681 -13.391 53.737 @@ -255,11 +255,11 @@ ATOM 252 HZ3 LYS A 38 52.572 -13.604 52.149 ATOM 253 C LYS A 38 51.854 -20.122 53.928 ATOM 254 O LYS A 38 50.857 -19.846 54.604 ATOM 255 N LEU A 39 52.954 -20.661 54.442 -ATOM 256 HN LEU A 39 53.707 -20.886 53.825 +ATOM 256 H LEU A 39 53.707 -20.886 53.825 ATOM 257 CA LEU A 39 53.113 -20.938 55.859 ATOM 258 HA LEU A 39 52.331 -20.427 56.409 ATOM 259 CB LEU A 39 52.976 -22.438 56.155 -ATOM 260 HB1 LEU A 39 53.734 -23.095 55.677 +ATOM 260 HB3 LEU A 39 53.734 -23.095 55.677 ATOM 261 HB2 LEU A 39 53.047 -22.726 57.226 ATOM 262 CG LEU A 39 51.657 -23.082 55.723 ATOM 263 HG LEU A 39 51.408 -22.715 54.734 @@ -274,20 +274,20 @@ ATOM 271 HD23 LEU A 39 50.776 -23.025 57.709 ATOM 272 C LEU A 39 54.478 -20.437 56.301 ATOM 273 O LEU A 39 55.415 -20.361 55.502 ATOM 274 N LYS A 40 54.585 -20.082 57.577 -ATOM 275 HN LYS A 40 53.785 -20.112 58.175 +ATOM 275 H LYS A 40 53.785 -20.112 58.175 ATOM 276 CA LYS A 40 55.871 -19.649 58.100 ATOM 277 HA LYS A 40 56.258 -18.876 57.446 ATOM 278 CB LYS A 40 55.725 -19.056 59.499 -ATOM 279 HB1 LYS A 40 54.798 -18.455 59.617 +ATOM 279 HB3 LYS A 40 54.798 -18.455 59.617 ATOM 280 HB2 LYS A 40 55.690 -19.832 60.294 ATOM 281 CG LYS A 40 56.876 -18.128 59.870 -ATOM 282 HG1 LYS A 40 57.803 -18.690 60.114 +ATOM 282 HG3 LYS A 40 57.803 -18.690 60.114 ATOM 283 HG2 LYS A 40 57.132 -17.430 59.044 ATOM 284 CD LYS A 40 56.551 -17.274 61.080 -ATOM 285 HD1 LYS A 40 57.378 -16.566 61.301 +ATOM 285 HD3 LYS A 40 57.378 -16.566 61.301 ATOM 286 HD2 LYS A 40 56.391 -17.905 61.981 ATOM 287 CE LYS A 40 55.291 -16.462 60.849 -ATOM 288 HE1 LYS A 40 54.394 -16.980 61.250 +ATOM 288 HE3 LYS A 40 54.394 -16.980 61.250 ATOM 289 HE2 LYS A 40 55.115 -16.284 59.767 ATOM 290 NZ LYS A 40 55.371 -15.133 61.512 ATOM 291 HZ1 LYS A 40 54.541 -14.598 61.360 @@ -296,11 +296,11 @@ ATOM 293 HZ3 LYS A 40 56.140 -14.597 61.165 ATOM 294 C LYS A 40 56.849 -20.816 58.122 ATOM 295 O LYS A 40 56.475 -21.959 58.400 ATOM 296 N ASN A 41 58.112 -20.518 57.812 -ATOM 297 HN ASN A 41 58.344 -19.570 57.601 +ATOM 297 H ASN A 41 58.344 -19.570 57.601 ATOM 298 CA ASN A 41 59.168 -21.527 57.770 ATOM 299 HA ASN A 41 58.771 -22.488 57.465 ATOM 300 CB ASN A 41 60.223 -21.150 56.738 -ATOM 301 HB1 ASN A 41 59.789 -20.929 55.740 +ATOM 301 HB3 ASN A 41 59.789 -20.929 55.740 ATOM 302 HB2 ASN A 41 60.803 -20.247 57.025 ATOM 303 CG ASN A 41 61.244 -22.247 56.515 ATOM 304 OD1 ASN A 41 61.041 -23.393 56.916 @@ -310,11 +310,11 @@ ATOM 307 HD22 ASN A 41 62.512 -20.973 55.535 ATOM 308 C ASN A 41 59.752 -21.655 59.174 ATOM 309 O ASN A 41 60.810 -21.113 59.500 ATOM 310 N ASP A 42 59.030 -22.382 60.017 -ATOM 311 HN ASP A 42 58.199 -22.831 59.691 +ATOM 311 H ASP A 42 58.199 -22.831 59.691 ATOM 312 CA ASP A 42 59.429 -22.536 61.410 ATOM 313 HA ASP A 42 59.587 -21.550 61.833 ATOM 314 CB ASP A 42 58.332 -23.239 62.208 -ATOM 315 HB1 ASP A 42 57.912 -24.120 61.677 +ATOM 315 HB3 ASP A 42 57.912 -24.120 61.677 ATOM 316 HB2 ASP A 42 58.689 -23.616 63.190 ATOM 317 CG ASP A 42 57.155 -22.333 62.511 ATOM 318 OD1 ASP A 42 57.365 -21.115 62.704 @@ -323,30 +323,30 @@ ATOM 320 C ASP A 42 60.727 -23.332 61.498 ATOM 321 O ASP A 42 60.871 -24.353 60.817 ATOM 322 N PRO A 43 61.687 -22.907 62.322 ATOM 323 CD PRO A 43 61.708 -21.685 63.143 -ATOM 324 HD1 PRO A 43 60.711 -21.693 63.632 +ATOM 324 HD3 PRO A 43 60.711 -21.693 63.632 ATOM 325 HD2 PRO A 43 61.857 -20.879 62.393 ATOM 326 CA PRO A 43 62.936 -23.674 62.435 ATOM 327 HA PRO A 43 63.366 -23.886 61.463 ATOM 328 CB PRO A 43 63.821 -22.782 63.314 -ATOM 329 HB1 PRO A 43 64.463 -22.223 62.601 +ATOM 329 HB3 PRO A 43 64.463 -22.223 62.601 ATOM 330 HB2 PRO A 43 64.385 -23.487 63.962 ATOM 331 CG PRO A 43 62.868 -21.914 64.065 -ATOM 332 HG1 PRO A 43 63.284 -20.908 64.286 +ATOM 332 HG3 PRO A 43 63.284 -20.908 64.286 ATOM 333 HG2 PRO A 43 62.448 -22.413 64.964 ATOM 334 C PRO A 43 62.746 -25.054 63.045 ATOM 335 O PRO A 43 63.491 -25.979 62.697 ATOM 336 N ARG A 44 61.770 -25.232 63.932 -ATOM 337 HN ARG A 44 61.147 -24.477 64.130 +ATOM 337 H ARG A 44 61.147 -24.477 64.130 ATOM 338 CA ARG A 44 61.588 -26.509 64.625 ATOM 339 HA ARG A 44 62.548 -26.996 64.753 ATOM 340 CB ARG A 44 61.015 -26.277 66.016 -ATOM 341 HB1 ARG A 44 60.038 -25.750 65.974 +ATOM 341 HB3 ARG A 44 60.038 -25.750 65.974 ATOM 342 HB2 ARG A 44 60.849 -27.234 66.556 ATOM 343 CG ARG A 44 61.941 -25.437 66.868 -ATOM 344 HG1 ARG A 44 62.940 -25.898 67.021 +ATOM 344 HG3 ARG A 44 62.940 -25.898 67.021 ATOM 345 HG2 ARG A 44 62.145 -24.432 66.440 ATOM 346 CD ARG A 44 61.407 -25.176 68.257 -ATOM 347 HD1 ARG A 44 61.217 -26.139 68.777 +ATOM 347 HD3 ARG A 44 61.217 -26.139 68.777 ATOM 348 HD2 ARG A 44 60.457 -24.604 68.196 ATOM 349 NE ARG A 44 62.377 -24.405 69.026 ATOM 350 HE ARG A 44 63.152 -24.011 68.533 @@ -360,36 +360,36 @@ ATOM 357 HH22 ARG A 44 64.001 -23.099 70.409 ATOM 358 C ARG A 44 60.711 -27.435 63.783 ATOM 359 O ARG A 44 59.571 -27.764 64.119 ATOM 360 N SER A 45 61.286 -27.867 62.663 -ATOM 361 HN SER A 45 62.211 -27.559 62.446 +ATOM 361 H SER A 45 62.211 -27.559 62.446 ATOM 362 CA SER A 45 60.613 -28.772 61.743 ATOM 363 HA SER A 45 59.911 -29.377 62.305 ATOM 364 CB SER A 45 59.814 -28.003 60.683 -ATOM 365 HB1 SER A 45 59.095 -27.300 61.156 +ATOM 365 HB3 SER A 45 59.095 -27.300 61.156 ATOM 366 HB2 SER A 45 60.487 -27.410 60.027 ATOM 367 OG SER A 45 59.075 -28.888 59.859 -ATOM 368 HG1 SER A 45 58.572 -28.404 59.192 +ATOM 368 HG SER A 45 58.572 -28.404 59.192 ATOM 369 C SER A 45 61.649 -29.665 61.075 ATOM 370 O SER A 45 62.745 -29.211 60.735 ATOM 371 N SER A 46 61.294 -30.935 60.899 -ATOM 372 HN SER A 46 60.422 -31.246 61.274 +ATOM 372 H SER A 46 60.422 -31.246 61.274 ATOM 373 CA SER A 46 62.128 -31.890 60.181 ATOM 374 HA SER A 46 63.144 -31.514 60.219 ATOM 375 CB SER A 46 62.057 -33.265 60.852 -ATOM 376 HB1 SER A 46 61.004 -33.602 60.959 +ATOM 376 HB3 SER A 46 61.004 -33.602 60.959 ATOM 377 HB2 SER A 46 62.601 -34.028 60.255 ATOM 378 OG SER A 46 62.635 -33.230 62.143 -ATOM 379 HG1 SER A 46 62.590 -34.097 62.566 +ATOM 379 HG SER A 46 62.590 -34.097 62.566 ATOM 380 C SER A 46 61.741 -32.013 58.715 ATOM 381 O SER A 46 62.425 -32.716 57.964 ATOM 382 N GLU A 47 60.669 -31.353 58.300 -ATOM 383 HN GLU A 47 60.162 -30.819 58.975 +ATOM 383 H GLU A 47 60.162 -30.819 58.975 ATOM 384 CA GLU A 47 60.178 -31.352 56.928 ATOM 385 HA GLU A 47 60.368 -32.324 56.487 ATOM 386 CB GLU A 47 58.679 -31.091 56.903 -ATOM 387 HB1 GLU A 47 58.090 -31.651 57.661 +ATOM 387 HB3 GLU A 47 58.090 -31.651 57.661 ATOM 388 HB2 GLU A 47 58.382 -30.035 57.078 ATOM 389 CG GLU A 47 57.987 -31.437 55.597 -ATOM 390 HG1 GLU A 47 58.497 -30.982 54.721 +ATOM 390 HG3 GLU A 47 58.497 -30.982 54.721 ATOM 391 HG2 GLU A 47 57.959 -32.533 55.418 ATOM 392 CD GLU A 47 56.549 -30.951 55.568 ATOM 393 OE1 GLU A 47 56.339 -29.720 55.578 @@ -398,20 +398,20 @@ ATOM 395 C GLU A 47 60.905 -30.283 56.122 ATOM 396 O GLU A 47 60.960 -29.124 56.552 ATOM 397 N PRO A 48 61.480 -30.624 54.971 ATOM 398 CD PRO A 48 61.566 -31.963 54.367 -ATOM 399 HD1 PRO A 48 60.514 -32.321 54.388 +ATOM 399 HD3 PRO A 48 60.514 -32.321 54.388 ATOM 400 HD2 PRO A 48 62.258 -32.506 55.046 ATOM 401 CA PRO A 48 62.190 -29.610 54.179 ATOM 402 HA PRO A 48 62.877 -29.018 54.774 ATOM 403 CB PRO A 48 62.898 -30.432 53.098 -ATOM 404 HB1 PRO A 48 63.930 -30.582 53.482 +ATOM 404 HB3 PRO A 48 63.930 -30.582 53.482 ATOM 405 HB2 PRO A 48 62.851 -29.803 52.183 ATOM 406 CG PRO A 48 62.112 -31.689 52.997 -ATOM 407 HG1 PRO A 48 62.746 -32.561 52.729 +ATOM 407 HG3 PRO A 48 62.746 -32.561 52.729 ATOM 408 HG2 PRO A 48 61.236 -31.584 52.322 ATOM 409 C PRO A 48 61.228 -28.601 53.572 ATOM 410 O PRO A 48 60.185 -28.957 53.018 ATOM 411 N ALA A 49 61.600 -27.329 53.679 -ATOM 412 HN ALA A 49 62.481 -27.111 54.098 +ATOM 412 H ALA A 49 62.481 -27.111 54.098 ATOM 413 CA ALA A 49 60.753 -26.246 53.200 ATOM 414 HA ALA A 49 59.751 -26.413 53.577 ATOM 415 CB ALA A 49 61.269 -24.905 53.717 @@ -421,11 +421,11 @@ ATOM 418 HB3 ALA A 49 62.307 -24.730 53.361 ATOM 419 C ALA A 49 60.695 -26.227 51.679 ATOM 420 O ALA A 49 61.677 -26.526 50.996 ATOM 421 N LEU A 50 59.530 -25.865 51.152 -ATOM 422 HN LEU A 50 58.763 -25.687 51.766 +ATOM 422 H LEU A 50 58.763 -25.687 51.766 ATOM 423 CA LEU A 50 59.323 -25.717 49.719 ATOM 424 HA LEU A 50 60.162 -26.172 49.205 ATOM 425 CB LEU A 50 58.045 -26.428 49.267 -ATOM 426 HB1 LEU A 50 57.135 -26.362 49.901 +ATOM 426 HB3 LEU A 50 57.135 -26.362 49.901 ATOM 427 HB2 LEU A 50 57.584 -26.147 48.296 ATOM 428 CG LEU A 50 58.066 -27.945 49.070 ATOM 429 HG LEU A 50 58.091 -28.417 50.046 @@ -440,22 +440,22 @@ ATOM 437 HD23 LEU A 50 59.357 -27.909 47.310 ATOM 438 C LEU A 50 59.242 -24.239 49.365 ATOM 439 O LEU A 50 58.466 -23.492 49.971 ATOM 440 N SER A 51 60.048 -23.820 48.392 -ATOM 441 HN SER A 51 60.761 -24.425 48.041 +ATOM 441 H SER A 51 60.761 -24.425 48.041 ATOM 442 CA SER A 51 59.893 -22.485 47.840 ATOM 443 HA SER A 51 59.831 -21.771 48.653 ATOM 444 CB SER A 51 61.104 -22.110 46.985 -ATOM 445 HB1 SER A 51 61.045 -21.056 46.639 +ATOM 445 HB3 SER A 51 61.045 -21.056 46.639 ATOM 446 HB2 SER A 51 62.052 -22.222 47.553 ATOM 447 OG SER A 51 61.199 -22.931 45.834 -ATOM 448 HG1 SER A 51 61.964 -22.694 45.294 +ATOM 448 HG SER A 51 61.964 -22.694 45.294 ATOM 449 C SER A 51 58.603 -22.413 47.025 ATOM 450 O SER A 51 57.989 -23.430 46.688 ATOM 451 N LEU A 52 58.193 -21.183 46.708 -ATOM 452 HN LEU A 52 58.789 -20.402 46.888 +ATOM 452 H LEU A 52 58.789 -20.402 46.888 ATOM 453 CA LEU A 52 56.882 -20.967 46.101 ATOM 454 HA LEU A 52 56.133 -21.383 46.765 ATOM 455 CB LEU A 52 56.626 -19.470 45.930 -ATOM 456 HB1 LEU A 52 56.518 -18.892 46.873 +ATOM 456 HB3 LEU A 52 56.518 -18.892 46.873 ATOM 457 HB2 LEU A 52 57.416 -18.909 45.386 ATOM 458 CG LEU A 52 55.357 -19.103 45.160 ATOM 459 HG LEU A 52 55.409 -19.561 44.179 @@ -470,14 +470,14 @@ ATOM 467 HD23 LEU A 52 55.232 -17.093 45.970 ATOM 468 C LEU A 52 56.758 -21.685 44.762 ATOM 469 O LEU A 52 55.788 -22.414 44.523 ATOM 470 N GLU A 53 57.730 -21.488 43.873 -ATOM 471 HN GLU A 53 58.533 -20.948 44.122 +ATOM 471 H GLU A 53 58.533 -20.948 44.122 ATOM 472 CA GLU A 53 57.621 -22.060 42.538 ATOM 473 HA GLU A 53 56.594 -21.963 42.204 ATOM 474 CB GLU A 53 58.527 -21.290 41.577 -ATOM 475 HB1 GLU A 53 59.603 -21.473 41.784 +ATOM 475 HB3 GLU A 53 59.603 -21.473 41.784 ATOM 476 HB2 GLU A 53 58.349 -21.577 40.519 ATOM 477 CG GLU A 53 58.307 -19.780 41.671 -ATOM 478 HG1 GLU A 53 57.254 -19.491 41.876 +ATOM 478 HG3 GLU A 53 57.254 -19.491 41.876 ATOM 479 HG2 GLU A 53 58.896 -19.289 42.475 ATOM 480 CD GLU A 53 58.675 -19.027 40.408 ATOM 481 OE1 GLU A 53 59.560 -19.497 39.663 @@ -485,7 +485,7 @@ ATOM 482 OE2 GLU A 53 58.072 -17.960 40.163 ATOM 483 C GLU A 53 57.932 -23.551 42.531 ATOM 484 O GLU A 53 57.423 -24.280 41.671 ATOM 485 N ALA A 54 58.741 -24.028 43.481 -ATOM 486 HN ALA A 54 59.232 -23.399 44.082 +ATOM 486 H ALA A 54 59.232 -23.399 44.082 ATOM 487 CA ALA A 54 58.907 -25.469 43.641 ATOM 488 HA ALA A 54 59.205 -25.887 42.686 ATOM 489 CB ALA A 54 60.002 -25.767 44.664 @@ -495,30 +495,30 @@ ATOM 492 HB3 ALA A 54 59.738 -25.329 45.650 ATOM 493 C ALA A 54 57.593 -26.122 44.053 ATOM 494 O ALA A 54 57.242 -27.198 43.556 ATOM 495 N CYX A 55 56.853 -25.482 44.963 -ATOM 496 HN CYX A 55 57.220 -24.672 45.418 +ATOM 496 H CYX A 55 57.220 -24.672 45.418 ATOM 497 CA CYX A 55 55.513 -25.956 45.299 ATOM 498 HA CYX A 55 55.590 -26.986 45.627 ATOM 499 CB CYX A 55 54.926 -25.113 46.434 -ATOM 500 HB1 CYX A 55 55.431 -25.224 47.418 +ATOM 500 HB3 CYX A 55 55.431 -25.224 47.418 ATOM 501 HB2 CYX A 55 54.941 -24.015 46.266 ATOM 502 SG CYX A 55 53.179 -25.446 46.827 ATOM 503 C CYX A 55 54.598 -25.916 44.083 ATOM 504 O CYX A 55 53.853 -26.868 43.823 ATOM 505 N LYS A 56 54.644 -24.816 43.327 -ATOM 506 HN LYS A 56 55.295 -24.092 43.550 +ATOM 506 H LYS A 56 55.295 -24.092 43.550 ATOM 507 CA LYS A 56 53.757 -24.657 42.180 ATOM 508 HA LYS A 56 52.736 -24.777 42.525 ATOM 509 CB LYS A 56 53.929 -23.262 41.580 -ATOM 510 HB1 LYS A 56 54.974 -22.887 41.555 +ATOM 510 HB3 LYS A 56 54.974 -22.887 41.555 ATOM 511 HB2 LYS A 56 53.593 -23.159 40.526 ATOM 512 CG LYS A 56 53.175 -22.155 42.299 -ATOM 513 HG1 LYS A 56 52.083 -22.244 42.115 +ATOM 513 HG3 LYS A 56 52.083 -22.244 42.115 ATOM 514 HG2 LYS A 56 53.352 -22.211 43.394 ATOM 515 CD LYS A 56 53.634 -20.790 41.808 -ATOM 516 HD1 LYS A 56 53.473 -20.671 40.715 +ATOM 516 HD3 LYS A 56 53.473 -20.671 40.715 ATOM 517 HD2 LYS A 56 54.716 -20.627 41.999 ATOM 518 CE LYS A 56 52.883 -19.664 42.497 -ATOM 519 HE1 LYS A 56 53.343 -18.671 42.308 +ATOM 519 HE3 LYS A 56 53.343 -18.671 42.308 ATOM 520 HE2 LYS A 56 52.851 -19.790 43.600 ATOM 521 NZ LYS A 56 51.469 -19.565 42.044 ATOM 522 HZ1 LYS A 56 50.975 -18.824 42.497 @@ -527,14 +527,14 @@ ATOM 524 HZ3 LYS A 56 50.952 -20.401 42.225 ATOM 525 C LYS A 56 54.016 -25.722 41.121 ATOM 526 O LYS A 56 53.080 -26.190 40.461 ATOM 527 N MET A 57 55.281 -26.119 40.947 -ATOM 528 HN MET A 57 55.994 -25.778 41.559 +ATOM 528 H MET A 57 55.994 -25.778 41.559 ATOM 529 CA MET A 57 55.634 -27.045 39.873 ATOM 530 HA MET A 57 55.320 -26.596 38.938 ATOM 531 CB MET A 57 57.147 -27.269 39.850 -ATOM 532 HB1 MET A 57 57.748 -26.343 39.726 +ATOM 532 HB3 MET A 57 57.748 -26.343 39.726 ATOM 533 HB2 MET A 57 57.557 -27.735 40.771 ATOM 534 CG MET A 57 57.634 -28.179 38.727 -ATOM 535 HG1 MET A 57 58.730 -28.357 38.760 +ATOM 535 HG3 MET A 57 58.730 -28.357 38.760 ATOM 536 HG2 MET A 57 57.162 -29.185 38.750 ATOM 537 SD MET A 57 57.292 -27.513 37.086 ATOM 538 CE MET A 57 58.722 -26.468 36.834 @@ -544,11 +544,11 @@ ATOM 541 HE3 MET A 57 59.644 -27.086 36.878 ATOM 542 C MET A 57 54.908 -28.377 40.006 ATOM 543 O MET A 57 54.612 -29.026 38.996 ATOM 544 N PHE A 58 54.606 -28.803 41.231 -ATOM 545 HN PHE A 58 54.848 -28.241 42.021 +ATOM 545 H PHE A 58 54.848 -28.241 42.021 ATOM 546 CA PHE A 58 53.929 -30.074 41.437 ATOM 547 HA PHE A 58 53.822 -30.519 40.454 ATOM 548 CB PHE A 58 54.769 -30.975 42.350 -ATOM 549 HB1 PHE A 58 54.941 -30.539 43.357 +ATOM 549 HB3 PHE A 58 54.941 -30.539 43.357 ATOM 550 HB2 PHE A 58 54.305 -31.968 42.532 ATOM 551 CG PHE A 58 56.132 -31.265 41.801 ATOM 552 CD1 PHE A 58 56.283 -32.077 40.689 @@ -564,21 +564,21 @@ ATOM 561 HE2 PHE A 58 59.388 -30.533 42.329 ATOM 562 C PHE A 58 52.527 -29.939 42.006 ATOM 563 O PHE A 58 51.729 -30.869 41.858 ATOM 564 N CYX A 59 52.203 -28.809 42.640 -ATOM 565 HN CYX A 59 52.901 -28.115 42.811 +ATOM 565 H CYX A 59 52.901 -28.115 42.811 ATOM 566 CA CYX A 59 50.832 -28.588 43.082 ATOM 567 HA CYX A 59 50.494 -29.475 43.605 ATOM 568 CB CYX A 59 50.772 -27.402 44.045 -ATOM 569 HB1 CYX A 59 51.625 -27.345 44.755 +ATOM 569 HB3 CYX A 59 51.625 -27.345 44.755 ATOM 570 HB2 CYX A 59 50.764 -26.408 43.548 ATOM 571 SG CYX A 59 49.316 -27.378 45.102 ATOM 572 C CYX A 59 49.907 -28.364 41.893 ATOM 573 O CYX A 59 48.754 -28.806 41.901 ATOM 574 N ASN A 60 50.396 -27.686 40.860 -ATOM 575 HN ASN A 60 51.331 -27.336 40.903 +ATOM 575 H ASN A 60 51.331 -27.336 40.903 ATOM 576 CA ASN A 60 49.599 -27.443 39.668 ATOM 577 HA ASN A 60 48.571 -27.278 39.970 ATOM 578 CB ASN A 60 50.098 -26.197 38.937 -ATOM 579 HB1 ASN A 60 50.315 -25.357 39.631 +ATOM 579 HB3 ASN A 60 50.315 -25.357 39.631 ATOM 580 HB2 ASN A 60 51.035 -26.385 38.370 ATOM 581 CG ASN A 60 49.091 -25.673 37.934 ATOM 582 OD1 ASN A 60 48.898 -26.259 36.870 @@ -588,14 +588,14 @@ ATOM 585 HD22 ASN A 60 48.598 -24.087 39.134 ATOM 586 C ASN A 60 49.649 -28.652 38.742 ATOM 587 O ASN A 60 50.685 -29.313 38.614 ATOM 588 N GLU A 61 48.515 -28.935 38.092 -ATOM 589 HN GLU A 61 47.720 -28.339 38.200 +ATOM 589 H GLU A 61 47.720 -28.339 38.200 ATOM 590 CA GLU A 61 48.428 -30.107 37.225 ATOM 591 HA GLU A 61 48.621 -30.986 37.829 ATOM 592 CB GLU A 61 47.028 -30.210 36.624 -ATOM 593 HB1 GLU A 61 46.228 -30.347 37.383 +ATOM 593 HB3 GLU A 61 46.228 -30.347 37.383 ATOM 594 HB2 GLU A 61 46.726 -29.311 36.045 ATOM 595 CG GLU A 61 46.864 -31.375 35.661 -ATOM 596 HG1 GLU A 61 47.443 -31.243 34.722 +ATOM 596 HG3 GLU A 61 47.443 -31.243 34.722 ATOM 597 HG2 GLU A 61 47.200 -32.342 36.093 ATOM 598 CD GLU A 61 45.421 -31.588 35.234 ATOM 599 OE1 GLU A 61 45.198 -32.338 34.264 @@ -603,11 +603,11 @@ ATOM 600 OE2 GLU A 61 44.525 -30.997 35.870 ATOM 601 C GLU A 61 49.480 -30.068 36.123 ATOM 602 O GLU A 61 50.080 -31.097 35.790 ATOM 603 N TYR A 62 49.726 -28.889 35.551 -ATOM 604 HN TYR A 62 49.215 -28.087 35.858 +ATOM 604 H TYR A 62 49.215 -28.087 35.858 ATOM 605 CA TYR A 62 50.715 -28.732 34.493 ATOM 606 HA TYR A 62 51.053 -29.724 34.216 ATOM 607 CB TYR A 62 50.083 -28.057 33.277 -ATOM 608 HB1 TYR A 62 49.626 -27.071 33.506 +ATOM 608 HB3 TYR A 62 49.626 -27.071 33.506 ATOM 609 HB2 TYR A 62 50.804 -27.860 32.455 ATOM 610 CG TYR A 62 48.976 -28.869 32.645 ATOM 611 CD1 TYR A 62 49.262 -29.983 31.868 @@ -624,18 +624,18 @@ ATOM 621 HE2 TYR A 62 45.593 -28.978 32.405 ATOM 622 C TYR A 62 51.944 -27.958 34.958 ATOM 623 O TYR A 62 52.706 -27.455 34.126 ATOM 624 N GLY A 63 52.153 -27.863 36.269 -ATOM 625 HN GLY A 63 51.488 -28.251 36.906 +ATOM 625 H GLY A 63 51.488 -28.251 36.906 ATOM 626 CA GLY A 63 53.339 -27.200 36.783 -ATOM 627 HA1 GLY A 63 53.381 -27.231 37.893 +ATOM 627 HA3 GLY A 63 53.381 -27.231 37.893 ATOM 628 HA2 GLY A 63 54.272 -27.674 36.409 ATOM 629 C GLY A 63 53.389 -25.742 36.378 ATOM 630 O GLY A 63 52.419 -24.992 36.535 ATOM 631 N LEU A 64 54.539 -25.329 35.843 -ATOM 632 HN LEU A 64 55.287 -25.986 35.757 +ATOM 632 H LEU A 64 55.287 -25.986 35.757 ATOM 633 CA LEU A 64 54.755 -23.966 35.379 ATOM 634 HA LEU A 64 53.935 -23.367 35.758 ATOM 635 CB LEU A 64 56.081 -23.431 35.918 -ATOM 636 HB1 LEU A 64 57.012 -23.943 35.595 +ATOM 636 HB3 LEU A 64 57.012 -23.943 35.595 ATOM 637 HB2 LEU A 64 56.344 -22.377 35.685 ATOM 638 CG LEU A 64 56.282 -23.432 37.433 ATOM 639 HG LEU A 64 56.306 -24.457 37.786 @@ -650,11 +650,11 @@ ATOM 647 HD23 LEU A 64 55.063 -21.671 37.777 ATOM 648 C LEU A 64 54.735 -23.859 33.858 ATOM 649 O LEU A 64 55.185 -22.849 33.307 ATOM 650 N LEU A 65 54.225 -24.876 33.173 -ATOM 651 HN LEU A 65 53.790 -25.628 33.666 +ATOM 651 H LEU A 65 53.790 -25.628 33.666 ATOM 652 CA LEU A 65 54.286 -24.920 31.720 ATOM 653 HA LEU A 65 55.276 -24.597 31.418 ATOM 654 CB LEU A 65 54.048 -26.346 31.223 -ATOM 655 HB1 LEU A 65 53.088 -26.813 31.531 +ATOM 655 HB3 LEU A 65 53.088 -26.813 31.531 ATOM 656 HB2 LEU A 65 54.034 -26.479 30.120 ATOM 657 CG LEU A 65 55.076 -27.387 31.666 ATOM 658 HG LEU A 65 55.010 -27.497 32.742 @@ -669,11 +669,11 @@ ATOM 666 HD23 LEU A 65 56.585 -26.777 30.223 ATOM 667 C LEU A 65 53.265 -23.976 31.097 ATOM 668 O LEU A 65 52.130 -23.862 31.571 ATOM 669 N TRP A 66 53.680 -23.295 30.030 -ATOM 670 HN TRP A 66 54.646 -23.329 29.779 +ATOM 670 H TRP A 66 54.646 -23.329 29.779 ATOM 671 CA TRP A 66 52.766 -22.502 29.219 ATOM 672 HA TRP A 66 51.804 -23.001 29.218 ATOM 673 CB TRP A 66 52.565 -21.104 29.804 -ATOM 674 HB1 TRP A 66 52.365 -21.139 30.896 +ATOM 674 HB3 TRP A 66 52.365 -21.139 30.896 ATOM 675 HB2 TRP A 66 53.460 -20.463 29.657 ATOM 676 CG TRP A 66 51.411 -20.398 29.170 ATOM 677 CD1 TRP A 66 51.370 -19.855 27.917 @@ -694,30 +694,30 @@ ATOM 691 C TRP A 66 53.285 -22.405 27.788 ATOM 692 O TRP A 66 54.389 -21.894 27.561 ATOM 693 N PRO A 67 52.522 -22.883 26.793 ATOM 694 CD PRO A 67 52.869 -22.746 25.371 -ATOM 695 HD1 PRO A 67 53.464 -23.664 25.180 +ATOM 695 HD3 PRO A 67 53.464 -23.664 25.180 ATOM 696 HD2 PRO A 67 53.441 -21.794 25.355 ATOM 697 CA PRO A 67 51.229 -23.549 26.974 ATOM 698 HA PRO A 67 50.601 -23.034 27.692 ATOM 699 CB PRO A 67 50.637 -23.580 25.555 -ATOM 700 HB1 PRO A 67 49.605 -23.180 25.648 +ATOM 700 HB3 PRO A 67 49.605 -23.180 25.648 ATOM 701 HB2 PRO A 67 50.660 -24.645 25.240 ATOM 702 CG PRO A 67 51.531 -22.702 24.717 -ATOM 703 HG1 PRO A 67 51.224 -21.634 24.730 +ATOM 703 HG3 PRO A 67 51.224 -21.634 24.730 ATOM 704 HG2 PRO A 67 51.685 -23.096 23.690 ATOM 705 C PRO A 67 51.389 -24.963 27.518 ATOM 706 O PRO A 67 52.471 -25.540 27.397 ATOM 707 N ARG A 68 50.339 -25.502 28.128 -ATOM 708 HN ARG A 68 49.518 -24.955 28.288 +ATOM 708 H ARG A 68 49.518 -24.955 28.288 ATOM 709 CA ARG A 68 50.386 -26.887 28.561 ATOM 710 HA ARG A 68 51.266 -27.032 29.178 ATOM 711 CB ARG A 68 49.160 -27.237 29.404 -ATOM 712 HB1 ARG A 68 48.907 -28.319 29.420 +ATOM 712 HB3 ARG A 68 48.907 -28.319 29.420 ATOM 713 HB2 ARG A 68 49.248 -26.964 30.477 ATOM 714 CG ARG A 68 47.876 -26.563 28.954 -ATOM 715 HG1 ARG A 68 47.647 -25.679 29.587 +ATOM 715 HG3 ARG A 68 47.647 -25.679 29.587 ATOM 716 HG2 ARG A 68 47.955 -26.217 27.901 ATOM 717 CD ARG A 68 46.695 -27.522 29.044 -ATOM 718 HD1 ARG A 68 45.736 -27.026 28.783 +ATOM 718 HD3 ARG A 68 45.736 -27.026 28.783 ATOM 719 HD2 ARG A 68 46.575 -27.938 30.067 ATOM 720 NE ARG A 68 46.844 -28.659 28.138 ATOM 721 HE ARG A 68 47.767 -28.909 27.850 @@ -732,20 +732,20 @@ ATOM 729 C ARG A 68 50.467 -27.798 27.336 ATOM 730 O ARG A 68 49.907 -27.482 26.282 ATOM 731 N PRO A 69 51.172 -28.922 27.438 ATOM 732 CD PRO A 69 51.979 -29.375 28.583 -ATOM 733 HD1 PRO A 69 51.232 -29.902 29.214 +ATOM 733 HD3 PRO A 69 51.232 -29.902 29.214 ATOM 734 HD2 PRO A 69 52.366 -28.421 29.001 ATOM 735 CA PRO A 69 51.288 -29.826 26.289 ATOM 736 HA PRO A 69 51.594 -29.314 25.384 ATOM 737 CB PRO A 69 52.309 -30.872 26.754 -ATOM 738 HB1 PRO A 69 52.982 -31.032 25.884 +ATOM 738 HB3 PRO A 69 52.982 -31.032 25.884 ATOM 739 HB2 PRO A 69 51.710 -31.770 27.017 ATOM 740 CG PRO A 69 53.002 -30.252 27.936 -ATOM 741 HG1 PRO A 69 53.834 -29.574 27.649 +ATOM 741 HG3 PRO A 69 53.834 -29.574 27.649 ATOM 742 HG2 PRO A 69 53.290 -30.993 28.712 ATOM 743 C PRO A 69 49.952 -30.470 25.949 ATOM 744 O PRO A 69 49.008 -30.475 26.741 ATOM 745 N THR A 70 49.881 -31.014 24.733 -ATOM 746 HN THR A 70 50.680 -30.971 24.135 +ATOM 746 H THR A 70 50.680 -30.971 24.135 ATOM 747 CA THR A 70 48.670 -31.669 24.253 ATOM 748 HA THR A 70 47.864 -31.286 24.868 ATOM 749 CB THR A 70 48.426 -31.335 22.775 @@ -759,21 +759,21 @@ ATOM 756 HG23 THR A 70 47.117 -29.641 23.176 ATOM 757 C THR A 70 48.696 -33.182 24.418 ATOM 758 O THR A 70 47.630 -33.799 24.505 ATOM 759 N GLY A 71 49.876 -33.792 24.464 -ATOM 760 HN GLY A 71 50.712 -33.250 24.394 +ATOM 760 H GLY A 71 50.712 -33.250 24.394 ATOM 761 CA GLY A 71 49.969 -35.231 24.614 -ATOM 762 HA1 GLY A 71 49.008 -35.751 24.411 +ATOM 762 HA3 GLY A 71 49.008 -35.751 24.411 ATOM 763 HA2 GLY A 71 50.712 -35.691 23.928 ATOM 764 C GLY A 71 50.379 -35.654 26.008 ATOM 765 O GLY A 71 49.717 -35.303 26.989 ATOM 766 N GLU A 72 51.468 -36.414 26.109 -ATOM 767 HN GLU A 72 51.945 -36.706 25.281 +ATOM 767 H GLU A 72 51.945 -36.706 25.281 ATOM 768 CA GLU A 72 51.972 -36.825 27.412 ATOM 769 HA GLU A 72 51.175 -37.319 27.956 ATOM 770 CB GLU A 72 53.129 -37.811 27.245 -ATOM 771 HB1 GLU A 72 53.785 -37.604 26.373 +ATOM 771 HB3 GLU A 72 53.785 -37.604 26.373 ATOM 772 HB2 GLU A 72 53.827 -37.848 28.108 ATOM 773 CG GLU A 72 52.697 -39.258 27.052 -ATOM 774 HG1 GLU A 72 51.967 -39.381 26.224 +ATOM 774 HG3 GLU A 72 51.967 -39.381 26.224 ATOM 775 HG2 GLU A 72 53.548 -39.931 26.813 ATOM 776 CD GLU A 72 52.034 -39.841 28.286 ATOM 777 OE1 GLU A 72 50.797 -40.021 28.270 @@ -781,7 +781,7 @@ ATOM 778 OE2 GLU A 72 52.749 -40.115 29.274 ATOM 779 C GLU A 72 52.423 -35.606 28.206 ATOM 780 O GLU A 72 53.109 -34.726 27.680 ATOM 781 N ALA A 73 52.029 -35.552 29.475 -ATOM 782 HN ALA A 73 51.484 -36.304 29.842 +ATOM 782 H ALA A 73 51.484 -36.304 29.842 ATOM 783 CA ALA A 73 52.365 -34.433 30.351 ATOM 784 HA ALA A 73 53.240 -33.930 29.956 ATOM 785 CB ALA A 73 51.232 -33.411 30.391 @@ -791,11 +791,11 @@ ATOM 788 HB3 ALA A 73 50.294 -33.871 30.769 ATOM 789 C ALA A 73 52.691 -34.950 31.747 ATOM 790 O ALA A 73 52.117 -34.523 32.750 ATOM 791 N ASP A 74 53.634 -35.886 31.819 -ATOM 792 HN ASP A 74 54.082 -36.178 30.975 +ATOM 792 H ASP A 74 54.082 -36.178 30.975 ATOM 793 CA ASP A 74 54.043 -36.505 33.074 ATOM 794 HA ASP A 74 53.242 -36.431 33.801 ATOM 795 CB ASP A 74 54.333 -37.992 32.874 -ATOM 796 HB1 ASP A 74 53.518 -38.521 32.335 +ATOM 796 HB3 ASP A 74 53.518 -38.521 32.335 ATOM 797 HB2 ASP A 74 55.257 -38.175 32.285 ATOM 798 CG ASP A 74 54.519 -38.737 34.185 ATOM 799 OD1 ASP A 74 54.658 -38.083 35.240 @@ -803,11 +803,11 @@ ATOM 800 OD2 ASP A 74 54.521 -39.986 34.157 ATOM 801 C ASP A 74 55.271 -35.769 33.597 ATOM 802 O ASP A 74 56.348 -35.837 32.995 ATOM 803 N LEU A 75 55.111 -35.079 34.723 -ATOM 804 HN LEU A 75 54.214 -35.078 35.163 +ATOM 804 H LEU A 75 54.214 -35.078 35.163 ATOM 805 CA LEU A 75 56.193 -34.325 35.339 ATOM 806 HA LEU A 75 56.971 -34.232 34.590 ATOM 807 CB LEU A 75 55.692 -32.942 35.762 -ATOM 808 HB1 LEU A 75 54.850 -32.917 36.486 +ATOM 808 HB3 LEU A 75 54.850 -32.917 36.486 ATOM 809 HB2 LEU A 75 56.429 -32.275 36.259 ATOM 810 CG LEU A 75 55.163 -32.034 34.650 ATOM 811 HG LEU A 75 54.227 -32.446 34.291 @@ -822,18 +822,18 @@ ATOM 819 HD23 LEU A 75 57.125 -31.598 33.806 ATOM 820 C LEU A 75 56.809 -35.033 36.537 ATOM 821 O LEU A 75 57.754 -34.506 37.130 ATOM 822 N GLY A 76 56.303 -36.202 36.921 -ATOM 823 HN GLY A 76 55.524 -36.603 36.440 +ATOM 823 H GLY A 76 55.524 -36.603 36.440 ATOM 824 CA GLY A 76 56.905 -36.883 38.052 -ATOM 825 HA1 GLY A 76 56.556 -37.934 38.147 +ATOM 825 HA3 GLY A 76 56.556 -37.934 38.147 ATOM 826 HA2 GLY A 76 58.013 -36.924 37.979 ATOM 827 C GLY A 76 56.585 -36.202 39.374 ATOM 828 O GLY A 76 55.542 -35.564 39.545 ATOM 829 N ASN A 77 57.509 -36.340 40.329 -ATOM 830 HN ASN A 77 58.379 -36.781 40.113 +ATOM 830 H ASN A 77 58.379 -36.781 40.113 ATOM 831 CA ASN A 77 57.265 -35.857 41.681 ATOM 832 HA ASN A 77 56.477 -35.120 41.574 ATOM 833 CB ASN A 77 56.835 -37.019 42.594 -ATOM 834 HB1 ASN A 77 57.582 -37.841 42.623 +ATOM 834 HB3 ASN A 77 57.582 -37.841 42.623 ATOM 835 HB2 ASN A 77 56.685 -36.703 43.649 ATOM 836 CG ASN A 77 55.532 -37.654 42.158 ATOM 837 OD1 ASN A 77 55.509 -38.795 41.696 @@ -843,11 +843,11 @@ ATOM 840 HD22 ASN A 77 54.456 -35.992 42.680 ATOM 841 C ASN A 77 58.447 -35.148 42.329 ATOM 842 O ASN A 77 58.285 -34.626 43.436 ATOM 843 N PHE A 78 59.616 -35.102 41.695 -ATOM 844 HN PHE A 78 59.672 -35.406 40.745 +ATOM 844 H PHE A 78 59.672 -35.406 40.745 ATOM 845 CA PHE A 78 60.814 -34.616 42.363 ATOM 846 HA PHE A 78 60.492 -34.124 43.274 ATOM 847 CB PHE A 78 61.755 -35.773 42.731 -ATOM 848 HB1 PHE A 78 62.147 -36.327 41.851 +ATOM 848 HB3 PHE A 78 62.147 -36.327 41.851 ATOM 849 HB2 PHE A 78 62.658 -35.453 43.294 ATOM 850 CG PHE A 78 61.114 -36.821 43.593 ATOM 851 CD1 PHE A 78 61.069 -36.675 44.970 @@ -863,11 +863,11 @@ ATOM 860 HE2 PHE A 78 59.523 -39.797 43.353 ATOM 861 C PHE A 78 61.558 -33.608 41.499 ATOM 862 O PHE A 78 61.356 -33.515 40.286 ATOM 863 N LEU A 79 62.431 -32.854 42.162 -ATOM 864 HN LEU A 79 62.454 -32.931 43.158 +ATOM 864 H LEU A 79 62.454 -32.931 43.158 ATOM 865 CA LEU A 79 63.352 -31.926 41.531 ATOM 866 HA LEU A 79 63.168 -31.942 40.463 ATOM 867 CB LEU A 79 63.135 -30.488 42.026 -ATOM 868 HB1 LEU A 79 63.299 -30.294 43.108 +ATOM 868 HB3 LEU A 79 63.299 -30.294 43.108 ATOM 869 HB2 LEU A 79 63.769 -29.695 41.573 ATOM 870 CG LEU A 79 61.741 -29.887 41.834 ATOM 871 HG LEU A 79 61.017 -30.645 42.110 @@ -882,31 +882,31 @@ ATOM 879 HD23 LEU A 79 62.240 -28.763 40.025 ATOM 880 C LEU A 79 64.782 -32.356 41.825 ATOM 881 O LEU A 79 65.055 -33.053 42.807 ATOM 882 N SER A 80 65.695 -31.928 40.963 -ATOM 883 HN SER A 80 65.393 -31.420 40.158 +ATOM 883 H SER A 80 65.393 -31.420 40.158 ATOM 884 CA SER A 80 67.118 -32.169 41.143 ATOM 885 HA SER A 80 67.270 -32.630 42.112 ATOM 886 CB SER A 80 67.660 -33.128 40.082 -ATOM 887 HB1 SER A 80 67.615 -32.663 39.074 +ATOM 887 HB3 SER A 80 67.615 -32.663 39.074 ATOM 888 HB2 SER A 80 68.718 -33.393 40.296 ATOM 889 OG SER A 80 66.902 -34.321 40.054 -ATOM 890 HG1 SER A 80 67.244 -34.926 39.384 +ATOM 890 HG SER A 80 67.244 -34.926 39.384 ATOM 891 C SER A 80 67.861 -30.846 41.076 ATOM 892 O SER A 80 67.555 -29.996 40.235 ATOM 893 N LYS A 81 68.829 -30.673 41.971 -ATOM 894 HN LYS A 81 68.987 -31.368 42.671 +ATOM 894 H LYS A 81 68.987 -31.368 42.671 ATOM 895 CA LYS A 81 69.660 -29.480 41.940 ATOM 896 HA LYS A 81 69.015 -28.614 41.846 ATOM 897 CB LYS A 81 70.458 -29.342 43.234 -ATOM 898 HB1 LYS A 81 69.825 -29.352 44.147 +ATOM 898 HB3 LYS A 81 69.825 -29.352 44.147 ATOM 899 HB2 LYS A 81 71.200 -30.155 43.384 ATOM 900 CG LYS A 81 71.257 -28.053 43.316 -ATOM 901 HG1 LYS A 81 72.098 -28.048 42.590 +ATOM 901 HG3 LYS A 81 72.098 -28.048 42.590 ATOM 902 HG2 LYS A 81 70.624 -27.167 43.096 ATOM 903 CD LYS A 81 71.850 -27.854 44.696 -ATOM 904 HD1 LYS A 81 71.054 -27.820 45.471 +ATOM 904 HD3 LYS A 81 71.054 -27.820 45.471 ATOM 905 HD2 LYS A 81 72.421 -26.902 44.751 ATOM 906 CE LYS A 81 72.796 -28.985 45.050 -ATOM 907 HE1 LYS A 81 73.620 -29.080 44.311 +ATOM 907 HE3 LYS A 81 73.620 -29.080 44.311 ATOM 908 HE2 LYS A 81 72.273 -29.965 45.083 ATOM 909 NZ LYS A 81 73.426 -28.781 46.383 ATOM 910 HZ1 LYS A 81 74.049 -29.526 46.616 @@ -915,7 +915,7 @@ ATOM 912 HZ3 LYS A 81 72.744 -28.730 47.111 ATOM 913 C LYS A 81 70.600 -29.530 40.743 ATOM 914 O LYS A 81 71.175 -30.576 40.427 ATOM 915 N ILE A 82 70.760 -28.386 40.084 -ATOM 916 HN ILE A 82 70.390 -27.549 40.485 +ATOM 916 H ILE A 82 70.390 -27.549 40.485 ATOM 917 CA ILE A 82 71.449 -28.296 38.806 ATOM 918 HA ILE A 82 71.889 -29.258 38.571 ATOM 919 CB ILE A 82 70.461 -27.946 37.674 @@ -925,20 +925,20 @@ ATOM 922 HG21 ILE A 82 70.485 -27.282 35.596 ATOM 923 HG22 ILE A 82 71.855 -28.351 36.045 ATOM 924 HG23 ILE A 82 71.835 -26.642 36.591 ATOM 925 CG1 ILE A 82 69.519 -29.124 37.414 -ATOM 926 HG11 ILE A 82 68.738 -29.265 38.192 +ATOM 926 HG13 ILE A 82 68.738 -29.265 38.192 ATOM 927 HG12 ILE A 82 68.948 -29.052 36.463 ATOM 928 CD1 ILE A 82 70.213 -30.473 37.332 -ATOM 929 HD1 ILE A 82 69.529 -31.328 37.143 -ATOM 930 HD2 ILE A 82 70.763 -30.761 38.253 -ATOM 931 HD3 ILE A 82 70.973 -30.548 36.525 +ATOM 929 HD11 ILE A 82 69.529 -31.328 37.143 +ATOM 930 HD12 ILE A 82 70.763 -30.761 38.253 +ATOM 931 HD13 ILE A 82 70.973 -30.548 36.525 ATOM 932 C ILE A 82 72.551 -27.252 38.902 ATOM 933 O ILE A 82 72.347 -26.169 39.462 ATOM 934 N ASN A 83 73.724 -27.582 38.362 -ATOM 935 HN ASN A 83 73.872 -28.524 38.063 +ATOM 935 H ASN A 83 73.872 -28.524 38.063 ATOM 936 CA ASN A 83 74.797 -26.609 38.195 ATOM 937 HA ASN A 83 74.812 -25.923 39.034 ATOM 938 CB ASN A 83 76.159 -27.300 38.166 -ATOM 939 HB1 ASN A 83 76.272 -28.057 38.972 +ATOM 939 HB3 ASN A 83 76.272 -28.057 38.972 ATOM 940 HB2 ASN A 83 76.346 -27.836 37.211 ATOM 941 CG ASN A 83 77.314 -26.325 38.337 ATOM 942 OD1 ASN A 83 77.234 -25.167 37.926 @@ -948,11 +948,11 @@ ATOM 945 HD22 ASN A 83 78.461 -27.732 39.283 ATOM 946 C ASN A 83 74.539 -25.837 36.906 ATOM 947 O ASN A 83 74.566 -26.413 35.813 ATOM 948 N LEU A 84 74.289 -24.532 37.037 -ATOM 949 HN LEU A 84 74.323 -24.111 37.942 +ATOM 949 H LEU A 84 74.323 -24.111 37.942 ATOM 950 CA LEU A 84 73.967 -23.713 35.873 ATOM 951 HA LEU A 84 73.092 -24.141 35.398 ATOM 952 CB LEU A 84 73.658 -22.282 36.312 -ATOM 953 HB1 LEU A 84 72.782 -22.145 36.982 +ATOM 953 HB3 LEU A 84 72.782 -22.145 36.982 ATOM 954 HB2 LEU A 84 74.454 -21.752 36.878 ATOM 955 CG LEU A 84 73.352 -21.274 35.200 ATOM 956 HG LEU A 84 74.168 -21.305 34.487 @@ -967,11 +967,11 @@ ATOM 964 HD23 LEU A 84 72.468 -19.769 36.513 ATOM 965 C LEU A 84 75.093 -23.720 34.846 ATOM 966 O LEU A 84 74.831 -23.667 33.639 ATOM 967 N ASN A 85 76.343 -23.790 35.299 -ATOM 968 HN ASN A 85 76.499 -23.854 36.284 +ATOM 968 H ASN A 85 76.499 -23.854 36.284 ATOM 969 CA ASN A 85 77.491 -23.776 34.401 ATOM 970 HA ASN A 85 77.229 -23.122 33.577 ATOM 971 CB ASN A 85 78.726 -23.244 35.135 -ATOM 972 HB1 ASN A 85 78.874 -23.723 36.126 +ATOM 972 HB3 ASN A 85 78.874 -23.723 36.126 ATOM 973 HB2 ASN A 85 79.666 -23.412 34.568 ATOM 974 CG ASN A 85 78.653 -21.752 35.396 ATOM 975 OD1 ASN A 85 77.776 -21.060 34.879 @@ -981,18 +981,18 @@ ATOM 978 HD22 ASN A 85 80.294 -21.810 36.621 ATOM 979 C ASN A 85 77.804 -25.143 33.807 ATOM 980 O ASN A 85 78.789 -25.269 33.073 ATOM 981 N SER A 86 76.997 -26.161 34.091 -ATOM 982 HN SER A 86 76.189 -25.990 34.654 +ATOM 982 H SER A 86 76.189 -25.990 34.654 ATOM 983 CA SER A 86 77.244 -27.515 33.614 ATOM 984 HA SER A 86 78.132 -27.492 32.992 ATOM 985 CB SER A 86 77.504 -28.460 34.784 -ATOM 986 HB1 SER A 86 76.600 -28.557 35.422 +ATOM 986 HB3 SER A 86 76.600 -28.557 35.422 ATOM 987 HB2 SER A 86 77.780 -29.473 34.420 ATOM 988 OG SER A 86 78.564 -27.980 35.594 -ATOM 989 HG1 SER A 86 78.728 -28.578 36.334 +ATOM 989 HG SER A 86 78.728 -28.578 36.334 ATOM 990 C SER A 86 76.091 -28.017 32.755 ATOM 991 O SER A 86 75.728 -29.195 32.792 ATOM 992 N ILE A 87 75.499 -27.120 31.972 -ATOM 993 HN ILE A 87 75.749 -26.158 32.078 +ATOM 993 H ILE A 87 75.749 -26.158 32.078 ATOM 994 CA ILE A 87 74.502 -27.472 30.965 ATOM 995 HA ILE A 87 74.109 -28.461 31.171 ATOM 996 CB ILE A 87 73.307 -26.505 30.997 @@ -1002,23 +1002,23 @@ ATOM 999 HG21 ILE A 87 71.411 -26.206 29.980 ATOM 1000 HG22 ILE A 87 71.902 -27.933 30.156 ATOM 1001 HG23 ILE A 87 72.720 -26.882 28.940 ATOM 1002 CG1 ILE A 87 72.687 -26.447 32.394 -ATOM 1003 HG11 ILE A 87 72.186 -27.390 32.700 +ATOM 1003 HG13 ILE A 87 72.186 -27.390 32.700 ATOM 1004 HG12 ILE A 87 73.422 -26.239 33.201 ATOM 1005 CD1 ILE A 87 71.627 -25.375 32.546 -ATOM 1006 HD1 ILE A 87 71.177 -25.333 33.561 -ATOM 1007 HD2 ILE A 87 70.765 -25.498 31.855 -ATOM 1008 HD3 ILE A 87 72.002 -24.346 32.356 +ATOM 1006 HD11 ILE A 87 71.177 -25.333 33.561 +ATOM 1007 HD12 ILE A 87 70.765 -25.498 31.855 +ATOM 1008 HD13 ILE A 87 72.002 -24.346 32.356 ATOM 1009 C ILE A 87 75.181 -27.448 29.603 ATOM 1010 O ILE A 87 75.810 -26.448 29.233 ATOM 1011 N GLU A 88 75.065 -28.547 28.860 -ATOM 1012 HN GLU A 88 74.545 -29.320 29.221 +ATOM 1012 H GLU A 88 74.545 -29.320 29.221 ATOM 1013 CA GLU A 88 75.669 -28.663 27.538 ATOM 1014 HA GLU A 88 75.944 -27.671 27.199 ATOM 1015 CB GLU A 88 76.946 -29.507 27.578 -ATOM 1016 HB1 GLU A 88 76.776 -30.588 27.771 +ATOM 1016 HB3 GLU A 88 76.776 -30.588 27.771 ATOM 1017 HB2 GLU A 88 77.537 -29.489 26.638 ATOM 1018 CG GLU A 88 77.940 -29.091 28.649 -ATOM 1019 HG1 GLU A 88 78.700 -28.375 28.269 +ATOM 1019 HG3 GLU A 88 78.700 -28.375 28.269 ATOM 1020 HG2 GLU A 88 77.450 -28.595 29.514 ATOM 1021 CD GLU A 88 78.708 -30.264 29.212 ATOM 1022 OE1 GLU A 88 79.687 -30.695 28.565 @@ -1026,7 +1026,7 @@ ATOM 1023 OE2 GLU A 88 78.321 -30.765 30.291 ATOM 1024 C GLU A 88 74.666 -29.269 26.573 ATOM 1025 O GLU A 88 74.023 -30.276 26.891 ATOM 1026 N VAL A 89 74.539 -28.657 25.399 -ATOM 1027 HN VAL A 89 75.114 -27.862 25.211 +ATOM 1027 H VAL A 89 75.114 -27.862 25.211 ATOM 1028 CA VAL A 89 73.598 -29.094 24.375 ATOM 1029 HA VAL A 89 72.872 -29.768 24.815 ATOM 1030 CB VAL A 89 72.815 -27.904 23.799 @@ -1042,20 +1042,20 @@ ATOM 1039 HG23 VAL A 89 73.075 -26.648 25.556 ATOM 1040 C VAL A 89 74.370 -29.819 23.283 ATOM 1041 O VAL A 89 75.412 -29.334 22.827 ATOM 1042 N LYS A 90 73.866 -30.978 22.864 -ATOM 1043 HN LYS A 90 73.033 -31.322 23.296 +ATOM 1043 H LYS A 90 73.033 -31.322 23.296 ATOM 1044 CA LYS A 90 74.477 -31.766 21.803 ATOM 1045 HA LYS A 90 75.326 -31.219 21.410 ATOM 1046 CB LYS A 90 74.995 -33.107 22.335 -ATOM 1047 HB1 LYS A 90 74.208 -33.765 22.760 +ATOM 1047 HB3 LYS A 90 74.208 -33.765 22.760 ATOM 1048 HB2 LYS A 90 75.496 -33.739 21.571 ATOM 1049 CG LYS A 90 76.021 -32.984 23.450 -ATOM 1050 HG1 LYS A 90 75.563 -32.590 24.382 +ATOM 1050 HG3 LYS A 90 75.563 -32.590 24.382 ATOM 1051 HG2 LYS A 90 76.477 -33.968 23.693 ATOM 1052 CD LYS A 90 77.151 -32.041 23.065 -ATOM 1053 HD1 LYS A 90 76.766 -31.159 22.509 +ATOM 1053 HD3 LYS A 90 76.766 -31.159 22.509 ATOM 1054 HD2 LYS A 90 77.896 -32.550 22.417 ATOM 1055 CE LYS A 90 77.883 -31.529 24.296 -ATOM 1056 HE1 LYS A 90 78.625 -32.262 24.679 +ATOM 1056 HE3 LYS A 90 78.625 -32.262 24.679 ATOM 1057 HE2 LYS A 90 77.190 -31.311 25.137 ATOM 1058 NZ LYS A 90 78.631 -30.269 24.024 ATOM 1059 HZ1 LYS A 90 79.112 -29.933 24.833 @@ -1064,7 +1064,7 @@ ATOM 1061 HZ3 LYS A 90 78.030 -29.530 23.722 ATOM 1062 C LYS A 90 73.461 -31.993 20.694 ATOM 1063 O LYS A 90 72.362 -32.498 20.947 ATOM 1064 N ILE A 91 73.826 -31.610 19.475 -ATOM 1065 HN ILE A 91 74.704 -31.149 19.359 +ATOM 1065 H ILE A 91 74.704 -31.149 19.359 ATOM 1066 CA ILE A 91 72.992 -31.838 18.300 ATOM 1067 HA ILE A 91 71.949 -31.889 18.592 ATOM 1068 CB ILE A 91 73.109 -30.679 17.299 @@ -1074,20 +1074,20 @@ ATOM 1071 HG21 ILE A 91 72.331 -30.102 15.349 ATOM 1072 HG22 ILE A 91 71.178 -31.045 16.361 ATOM 1073 HG23 ILE A 91 72.563 -31.875 15.563 ATOM 1074 CG1 ILE A 91 72.727 -29.353 17.964 -ATOM 1075 HG11 ILE A 91 71.679 -29.042 17.766 +ATOM 1075 HG13 ILE A 91 71.679 -29.042 17.766 ATOM 1076 HG12 ILE A 91 72.819 -29.368 19.071 ATOM 1077 CD1 ILE A 91 73.575 -28.184 17.515 -ATOM 1078 HD1 ILE A 91 73.298 -27.222 17.997 -ATOM 1079 HD2 ILE A 91 73.518 -27.986 16.423 -ATOM 1080 HD3 ILE A 91 74.658 -28.312 17.728 +ATOM 1078 HD11 ILE A 91 73.298 -27.222 17.997 +ATOM 1079 HD12 ILE A 91 73.518 -27.986 16.423 +ATOM 1080 HD13 ILE A 91 74.658 -28.312 17.728 ATOM 1081 C ILE A 91 73.421 -33.157 17.669 ATOM 1082 O ILE A 91 74.581 -33.316 17.275 ATOM 1083 N LEU A 92 72.490 -34.106 17.574 -ATOM 1084 HN LEU A 92 71.541 -33.890 17.800 +ATOM 1084 H LEU A 92 71.541 -33.890 17.800 ATOM 1085 CA LEU A 92 72.839 -35.455 17.144 ATOM 1086 HA LEU A 92 73.878 -35.606 17.413 ATOM 1087 CB LEU A 92 71.950 -36.478 17.859 -ATOM 1088 HB1 LEU A 92 70.860 -36.340 17.698 +ATOM 1088 HB3 LEU A 92 70.860 -36.340 17.698 ATOM 1089 HB2 LEU A 92 72.128 -37.535 17.565 ATOM 1090 CG LEU A 92 72.092 -36.496 19.385 ATOM 1091 HG LEU A 92 71.615 -35.601 19.768 @@ -1102,20 +1102,20 @@ ATOM 1099 HD23 LEU A 92 74.107 -37.346 19.401 ATOM 1100 C LEU A 92 72.746 -35.653 15.635 ATOM 1101 O LEU A 92 73.509 -36.452 15.080 ATOM 1102 N LYS A 93 71.840 -34.951 14.958 -ATOM 1103 HN LYS A 93 71.243 -34.329 15.462 +ATOM 1103 H LYS A 93 71.243 -34.329 15.462 ATOM 1104 CA LYS A 93 71.682 -35.051 13.511 ATOM 1105 HA LYS A 93 72.391 -35.781 13.137 ATOM 1106 CB LYS A 93 70.276 -35.533 13.138 -ATOM 1107 HB1 LYS A 93 69.457 -35.066 13.726 +ATOM 1107 HB3 LYS A 93 69.457 -35.066 13.726 ATOM 1108 HB2 LYS A 93 69.989 -35.344 12.082 ATOM 1109 CG LYS A 93 70.052 -37.027 13.318 -ATOM 1110 HG1 LYS A 93 70.901 -37.609 12.900 +ATOM 1110 HG3 LYS A 93 70.901 -37.609 12.900 ATOM 1111 HG2 LYS A 93 69.955 -37.287 14.394 ATOM 1112 CD LYS A 93 68.781 -37.476 12.609 -ATOM 1113 HD1 LYS A 93 68.957 -37.650 11.526 +ATOM 1113 HD3 LYS A 93 68.957 -37.650 11.526 ATOM 1114 HD2 LYS A 93 67.976 -36.716 12.694 ATOM 1115 CE LYS A 93 68.243 -38.772 13.194 -ATOM 1116 HE1 LYS A 93 67.910 -39.476 12.402 +ATOM 1116 HE3 LYS A 93 67.910 -39.476 12.402 ATOM 1117 HE2 LYS A 93 67.371 -38.595 13.859 ATOM 1118 NZ LYS A 93 69.271 -39.483 14.005 ATOM 1119 HZ1 LYS A 93 68.917 -40.335 14.389 @@ -1124,20 +1124,20 @@ ATOM 1121 HZ3 LYS A 93 69.590 -38.927 14.771 ATOM 1122 C LYS A 93 71.962 -33.697 12.873 ATOM 1123 O LYS A 93 71.365 -32.689 13.264 ATOM 1124 N LYS A 94 72.866 -33.678 11.897 -ATOM 1125 HN LYS A 94 73.294 -34.539 11.626 +ATOM 1125 H LYS A 94 73.294 -34.539 11.626 ATOM 1126 CA LYS A 94 73.260 -32.459 11.206 ATOM 1127 HA LYS A 94 72.961 -31.614 11.815 ATOM 1128 CB LYS A 94 74.779 -32.411 11.017 -ATOM 1129 HB1 LYS A 94 75.167 -33.183 10.319 +ATOM 1129 HB3 LYS A 94 75.167 -33.183 10.319 ATOM 1130 HB2 LYS A 94 75.148 -31.446 10.610 ATOM 1131 CG LYS A 94 75.562 -32.618 12.303 -ATOM 1132 HG1 LYS A 94 75.261 -31.894 13.090 +ATOM 1132 HG3 LYS A 94 75.261 -31.894 13.090 ATOM 1133 HG2 LYS A 94 75.407 -33.636 12.721 ATOM 1134 CD LYS A 94 77.057 -32.447 12.087 -ATOM 1135 HD1 LYS A 94 77.444 -33.181 11.348 +ATOM 1135 HD3 LYS A 94 77.444 -33.181 11.348 ATOM 1136 HD2 LYS A 94 77.620 -32.594 13.034 ATOM 1137 CE LYS A 94 77.383 -31.056 11.568 -ATOM 1138 HE1 LYS A 94 76.468 -30.489 11.291 +ATOM 1138 HE3 LYS A 94 76.468 -30.489 11.291 ATOM 1139 HE2 LYS A 94 78.026 -31.089 10.663 ATOM 1140 NZ LYS A 94 78.106 -30.237 12.580 ATOM 1141 HZ1 LYS A 94 78.320 -29.323 12.239 @@ -1146,14 +1146,14 @@ ATOM 1143 HZ3 LYS A 94 78.972 -30.654 12.850 ATOM 1144 C LYS A 94 72.561 -32.362 9.855 ATOM 1145 O LYS A 94 72.099 -33.357 9.292 ATOM 1146 N GLY A 95 72.489 -31.143 9.338 -ATOM 1147 HN GLY A 95 72.907 -30.373 9.818 +ATOM 1147 H GLY A 95 72.907 -30.373 9.818 ATOM 1148 CA GLY A 95 71.807 -30.924 8.079 -ATOM 1149 HA1 GLY A 95 72.280 -31.497 7.253 +ATOM 1149 HA3 GLY A 95 72.280 -31.497 7.253 ATOM 1150 HA2 GLY A 95 70.742 -31.238 8.131 ATOM 1151 C GLY A 95 71.827 -29.467 7.683 ATOM 1152 O GLY A 95 72.719 -28.713 8.074 ATOM 1153 N ALA A 96 70.824 -29.075 6.896 -ATOM 1154 HN ALA A 96 70.103 -29.721 6.649 +ATOM 1154 H ALA A 96 70.103 -29.721 6.649 ATOM 1155 CA ALA A 96 70.778 -27.706 6.395 ATOM 1156 HA ALA A 96 71.761 -27.464 6.008 ATOM 1157 CB ALA A 96 69.752 -27.592 5.270 @@ -1163,7 +1163,7 @@ ATOM 1160 HB3 ALA A 96 68.743 -27.871 5.643 ATOM 1161 C ALA A 96 70.464 -26.708 7.502 ATOM 1162 O ALA A 96 70.852 -25.538 7.408 ATOM 1163 N THR A 97 69.772 -27.144 8.553 -ATOM 1164 HN THR A 97 69.491 -28.102 8.582 +ATOM 1164 H THR A 97 69.491 -28.102 8.582 ATOM 1165 CA THR A 97 69.411 -26.272 9.661 ATOM 1166 HA THR A 97 69.308 -25.271 9.257 ATOM 1167 CB THR A 97 68.086 -26.727 10.273 @@ -1177,11 +1177,11 @@ ATOM 1174 HG23 THR A 97 66.869 -25.794 8.744 ATOM 1175 C THR A 97 70.487 -26.211 10.737 ATOM 1176 O THR A 97 70.180 -25.863 11.883 ATOM 1177 N ASP A 98 71.735 -26.538 10.391 -ATOM 1178 HN ASP A 98 71.930 -26.797 9.446 +ATOM 1178 H ASP A 98 71.930 -26.797 9.446 ATOM 1179 CA ASP A 98 72.820 -26.524 11.369 ATOM 1180 HA ASP A 98 72.592 -27.260 12.131 ATOM 1181 CB ASP A 98 74.142 -26.891 10.694 -ATOM 1182 HB1 ASP A 98 74.242 -26.452 9.678 +ATOM 1182 HB3 ASP A 98 74.242 -26.452 9.678 ATOM 1183 HB2 ASP A 98 75.028 -26.543 11.267 ATOM 1184 CG ASP A 98 74.316 -28.384 10.522 ATOM 1185 OD1 ASP A 98 73.491 -29.149 11.063 @@ -1189,11 +1189,11 @@ ATOM 1186 OD2 ASP A 98 75.274 -28.791 9.834 ATOM 1187 C ASP A 98 72.937 -25.166 12.049 ATOM 1188 O ASP A 98 73.071 -25.081 13.275 ATOM 1189 N ASP A 99 72.893 -24.089 11.262 -ATOM 1190 HN ASP A 99 72.769 -24.198 10.277 +ATOM 1190 H ASP A 99 72.769 -24.198 10.277 ATOM 1191 CA ASP A 99 73.025 -22.753 11.833 ATOM 1192 HA ASP A 99 73.926 -22.728 12.435 ATOM 1193 CB ASP A 99 73.148 -21.715 10.716 -ATOM 1194 HB1 ASP A 99 73.255 -20.679 11.104 +ATOM 1194 HB3 ASP A 99 73.255 -20.679 11.104 ATOM 1195 HB2 ASP A 99 74.029 -21.892 10.063 ATOM 1196 CG ASP A 99 71.940 -21.698 9.798 ATOM 1197 OD1 ASP A 99 71.294 -22.757 9.642 @@ -1201,11 +1201,11 @@ ATOM 1198 OD2 ASP A 99 71.637 -20.625 9.233 ATOM 1199 C ASP A 99 71.852 -22.425 12.748 ATOM 1200 O ASP A 99 72.032 -21.805 13.802 ATOM 1201 N LEU A 100 70.642 -22.840 12.366 -ATOM 1202 HN LEU A 100 70.534 -23.320 11.496 +ATOM 1202 H LEU A 100 70.534 -23.320 11.496 ATOM 1203 CA LEU A 100 69.476 -22.599 13.208 ATOM 1204 HA LEU A 100 69.459 -21.548 13.473 ATOM 1205 CB LEU A 100 68.194 -22.936 12.443 -ATOM 1206 HB1 LEU A 100 68.084 -23.979 12.075 +ATOM 1206 HB3 LEU A 100 68.084 -23.979 12.075 ATOM 1207 HB2 LEU A 100 67.233 -22.801 12.983 ATOM 1208 CG LEU A 100 67.920 -22.147 11.162 ATOM 1209 HG LEU A 100 68.726 -22.336 10.463 @@ -1220,14 +1220,14 @@ ATOM 1217 HD23 LEU A 100 67.092 -20.408 12.181 ATOM 1218 C LEU A 100 69.556 -23.405 14.498 ATOM 1219 O LEU A 100 69.289 -22.883 15.587 ATOM 1220 N MET A 101 69.926 -24.684 14.393 -ATOM 1221 HN MET A 101 70.156 -25.061 13.497 +ATOM 1221 H MET A 101 70.156 -25.061 13.497 ATOM 1222 CA MET A 101 69.998 -25.536 15.576 ATOM 1223 HA MET A 101 69.054 -25.469 16.104 ATOM 1224 CB MET A 101 70.225 -26.991 15.162 -ATOM 1225 HB1 MET A 101 71.032 -27.123 14.410 +ATOM 1225 HB3 MET A 101 71.032 -27.123 14.410 ATOM 1226 HB2 MET A 101 70.510 -27.658 16.003 ATOM 1227 CG MET A 101 69.002 -27.652 14.540 -ATOM 1228 HG1 MET A 101 68.103 -27.619 15.192 +ATOM 1228 HG3 MET A 101 68.103 -27.619 15.192 ATOM 1229 HG2 MET A 101 68.686 -27.184 13.583 ATOM 1230 SD MET A 101 69.248 -29.397 14.157 ATOM 1231 CE MET A 101 70.574 -29.300 12.957 @@ -1237,14 +1237,14 @@ ATOM 1234 HE3 MET A 101 71.460 -28.819 13.423 ATOM 1235 C MET A 101 71.090 -25.065 16.528 ATOM 1236 O MET A 101 70.911 -25.094 17.751 ATOM 1237 N GLU A 102 72.225 -24.616 15.984 -ATOM 1238 HN GLU A 102 72.343 -24.640 14.992 +ATOM 1238 H GLU A 102 72.343 -24.640 14.992 ATOM 1239 CA GLU A 102 73.294 -24.090 16.828 ATOM 1240 HA GLU A 102 73.523 -24.835 17.581 ATOM 1241 CB GLU A 102 74.545 -23.825 15.991 -ATOM 1242 HB1 GLU A 102 74.334 -23.460 14.963 +ATOM 1242 HB3 GLU A 102 74.334 -23.460 14.963 ATOM 1243 HB2 GLU A 102 75.226 -23.061 16.423 ATOM 1244 CG GLU A 102 75.425 -25.046 15.787 -ATOM 1245 HG1 GLU A 102 76.119 -25.214 16.638 +ATOM 1245 HG3 GLU A 102 76.119 -25.214 16.638 ATOM 1246 HG2 GLU A 102 74.833 -25.980 15.674 ATOM 1247 CD GLU A 102 76.287 -24.934 14.549 ATOM 1248 OE1 GLU A 102 76.757 -23.814 14.258 @@ -1252,7 +1252,7 @@ ATOM 1249 OE2 GLU A 102 76.490 -25.961 13.864 ATOM 1250 C GLU A 102 72.859 -22.819 17.545 ATOM 1251 O GLU A 102 73.143 -22.645 18.736 ATOM 1252 N ALA A 103 72.175 -21.918 16.836 -ATOM 1253 HN ALA A 103 71.980 -22.087 15.871 +ATOM 1253 H ALA A 103 71.980 -22.087 15.871 ATOM 1254 CA ALA A 103 71.712 -20.687 17.467 ATOM 1255 HA ALA A 103 72.562 -20.198 17.929 ATOM 1256 CB ALA A 103 71.123 -19.745 16.418 @@ -1262,7 +1262,7 @@ ATOM 1259 HB3 ALA A 103 70.263 -20.229 15.907 ATOM 1260 C ALA A 103 70.698 -20.983 18.564 ATOM 1261 O ALA A 103 70.770 -20.405 19.656 ATOM 1262 N ALA A 104 69.756 -21.894 18.301 -ATOM 1263 HN ALA A 104 69.710 -22.314 17.396 +ATOM 1263 H ALA A 104 69.710 -22.314 17.396 ATOM 1264 CA ALA A 104 68.794 -22.278 19.329 ATOM 1265 HA ALA A 104 68.288 -21.382 19.671 ATOM 1266 CB ALA A 104 67.757 -23.239 18.748 @@ -1272,7 +1272,7 @@ ATOM 1269 HB3 ALA A 104 68.256 -24.155 18.365 ATOM 1270 C ALA A 104 69.493 -22.907 20.529 ATOM 1271 O ALA A 104 69.117 -22.652 21.679 ATOM 1272 N ALA A 105 70.518 -23.727 20.279 -ATOM 1273 HN ALA A 105 70.784 -23.913 19.334 +ATOM 1273 H ALA A 105 70.784 -23.913 19.334 ATOM 1274 CA ALA A 105 71.253 -24.354 21.374 ATOM 1275 HA ALA A 105 70.540 -24.872 22.005 ATOM 1276 CB ALA A 105 72.258 -25.365 20.821 @@ -1282,20 +1282,20 @@ ATOM 1279 HB3 ALA A 105 72.981 -24.856 20.149 ATOM 1280 C ALA A 105 71.964 -23.315 22.230 ATOM 1281 O ALA A 105 71.945 -23.397 23.464 ATOM 1282 N LYS A 106 72.596 -22.327 21.592 -ATOM 1283 HN LYS A 106 72.574 -22.290 20.594 +ATOM 1283 H LYS A 106 72.574 -22.290 20.594 ATOM 1284 CA LYS A 106 73.319 -21.301 22.336 ATOM 1285 HA LYS A 106 73.984 -21.805 23.029 ATOM 1286 CB LYS A 106 74.144 -20.440 21.378 -ATOM 1287 HB1 LYS A 106 73.592 -20.113 20.471 +ATOM 1287 HB3 LYS A 106 73.592 -20.113 20.471 ATOM 1288 HB2 LYS A 106 74.523 -19.497 21.827 ATOM 1289 CG LYS A 106 75.387 -21.129 20.837 -ATOM 1290 HG1 LYS A 106 75.916 -21.689 21.638 +ATOM 1290 HG3 LYS A 106 75.916 -21.689 21.638 ATOM 1291 HG2 LYS A 106 75.128 -21.851 20.033 ATOM 1292 CD LYS A 106 76.365 -20.120 20.255 -ATOM 1293 HD1 LYS A 106 76.898 -19.564 21.055 +ATOM 1293 HD3 LYS A 106 76.898 -19.564 21.055 ATOM 1294 HD2 LYS A 106 75.845 -19.372 19.619 ATOM 1295 CE LYS A 106 77.417 -20.800 19.393 -ATOM 1296 HE1 LYS A 106 77.063 -20.969 18.353 +ATOM 1296 HE3 LYS A 106 77.063 -20.969 18.353 ATOM 1297 HE2 LYS A 106 77.710 -21.794 19.794 ATOM 1298 NZ LYS A 106 78.668 -19.996 19.292 ATOM 1299 HZ1 LYS A 106 79.359 -20.443 18.726 @@ -1304,17 +1304,17 @@ ATOM 1301 HZ3 LYS A 106 79.088 -19.838 20.184 ATOM 1302 C LYS A 106 72.381 -20.427 23.159 ATOM 1303 O LYS A 106 72.791 -19.883 24.190 ATOM 1304 N ARG A 107 71.129 -20.280 22.727 -ATOM 1305 HN ARG A 107 70.850 -20.726 21.878 +ATOM 1305 H ARG A 107 70.850 -20.726 21.878 ATOM 1306 CA ARG A 107 70.159 -19.483 23.466 ATOM 1307 HA ARG A 107 70.706 -18.640 23.871 ATOM 1308 CB ARG A 107 69.045 -19.005 22.532 -ATOM 1309 HB1 ARG A 107 68.543 -19.813 21.957 +ATOM 1309 HB3 ARG A 107 68.543 -19.813 21.957 ATOM 1310 HB2 ARG A 107 68.207 -18.481 23.040 ATOM 1311 CG ARG A 107 69.491 -18.025 21.465 -ATOM 1312 HG1 ARG A 107 70.145 -17.242 21.906 +ATOM 1312 HG3 ARG A 107 70.145 -17.242 21.906 ATOM 1313 HG2 ARG A 107 70.059 -18.551 20.668 ATOM 1314 CD ARG A 107 68.290 -17.348 20.832 -ATOM 1315 HD1 ARG A 107 68.583 -16.729 19.957 +ATOM 1315 HD3 ARG A 107 68.583 -16.729 19.957 ATOM 1316 HD2 ARG A 107 67.772 -16.678 21.551 ATOM 1317 NE ARG A 107 67.307 -18.323 20.363 ATOM 1318 HE ARG A 107 66.592 -18.609 21.000 @@ -1328,11 +1328,11 @@ ATOM 1325 HH22 ARG A 107 65.671 -19.998 19.468 ATOM 1326 C ARG A 107 69.536 -20.231 24.635 ATOM 1327 O ARG A 107 68.814 -19.613 25.426 ATOM 1328 N PHE A 108 69.797 -21.533 24.770 -ATOM 1329 HN PHE A 108 70.479 -21.967 24.184 +ATOM 1329 H PHE A 108 70.479 -21.967 24.184 ATOM 1330 CA PHE A 108 69.090 -22.324 25.770 ATOM 1331 HA PHE A 108 68.033 -22.107 25.670 ATOM 1332 CB PHE A 108 69.317 -23.815 25.528 -ATOM 1333 HB1 PHE A 108 68.897 -24.179 24.566 +ATOM 1333 HB3 PHE A 108 68.897 -24.179 24.566 ATOM 1334 HB2 PHE A 108 70.390 -24.103 25.501 ATOM 1335 CG PHE A 108 68.704 -24.695 26.578 ATOM 1336 CD1 PHE A 108 67.329 -24.840 26.660 @@ -1348,20 +1348,20 @@ ATOM 1345 HE2 PHE A 108 69.571 -26.700 29.163 ATOM 1346 C PHE A 108 69.504 -21.946 27.187 ATOM 1347 O PHE A 108 68.666 -21.938 28.098 ATOM 1348 N LYS A 109 70.784 -21.631 27.402 -ATOM 1349 HN LYS A 109 71.433 -21.609 26.643 +ATOM 1349 H LYS A 109 71.433 -21.609 26.643 ATOM 1350 CA LYS A 109 71.226 -21.319 28.759 ATOM 1351 HA LYS A 109 70.914 -22.141 29.393 ATOM 1352 CB LYS A 109 72.748 -21.198 28.830 -ATOM 1353 HB1 LYS A 109 73.247 -22.124 28.473 +ATOM 1353 HB3 LYS A 109 73.247 -22.124 28.473 ATOM 1354 HB2 LYS A 109 73.119 -20.359 28.204 ATOM 1355 CG LYS A 109 73.223 -20.946 30.258 -ATOM 1356 HG1 LYS A 109 72.899 -19.970 30.678 +ATOM 1356 HG3 LYS A 109 72.899 -19.970 30.678 ATOM 1357 HG2 LYS A 109 72.866 -21.698 30.994 ATOM 1358 CD LYS A 109 74.732 -20.945 30.418 -ATOM 1359 HD1 LYS A 109 75.207 -20.445 29.547 +ATOM 1359 HD3 LYS A 109 75.207 -20.445 29.547 ATOM 1360 HD2 LYS A 109 75.109 -21.988 30.483 ATOM 1361 CE LYS A 109 75.123 -20.198 31.691 -ATOM 1362 HE1 LYS A 109 74.417 -20.366 32.532 +ATOM 1362 HE3 LYS A 109 74.417 -20.366 32.532 ATOM 1363 HE2 LYS A 109 75.166 -19.096 31.557 ATOM 1364 NZ LYS A 109 76.463 -20.587 32.213 ATOM 1365 HZ1 LYS A 109 76.719 -20.098 33.046 @@ -1370,14 +1370,14 @@ ATOM 1367 HZ3 LYS A 109 77.204 -20.415 31.565 ATOM 1368 C LYS A 109 70.577 -20.042 29.277 ATOM 1369 O LYS A 109 70.180 -19.975 30.446 ATOM 1370 N GLU A 110 70.460 -19.016 28.430 -ATOM 1371 HN GLU A 110 70.833 -19.082 27.506 +ATOM 1371 H GLU A 110 70.833 -19.082 27.506 ATOM 1372 CA GLU A 110 69.784 -17.799 28.864 ATOM 1373 HA GLU A 110 70.217 -17.486 29.807 ATOM 1374 CB GLU A 110 69.995 -16.682 27.847 -ATOM 1375 HB1 GLU A 110 70.961 -16.746 27.302 +ATOM 1375 HB3 GLU A 110 70.961 -16.746 27.302 ATOM 1376 HB2 GLU A 110 69.223 -16.649 27.049 ATOM 1377 CG GLU A 110 69.985 -15.286 28.454 -ATOM 1378 HG1 GLU A 110 70.286 -14.502 27.727 +ATOM 1378 HG3 GLU A 110 70.286 -14.502 27.727 ATOM 1379 HG2 GLU A 110 68.982 -14.990 28.829 ATOM 1380 CD GLU A 110 70.933 -15.155 29.634 ATOM 1381 OE1 GLU A 110 72.087 -15.630 29.535 @@ -1385,14 +1385,14 @@ ATOM 1382 OE2 GLU A 110 70.518 -14.582 30.663 ATOM 1383 C GLU A 110 68.299 -18.053 29.097 ATOM 1384 O GLU A 110 67.694 -17.452 29.994 ATOM 1385 N GLN A 111 67.697 -18.938 28.297 -ATOM 1386 HN GLN A 111 68.182 -19.293 27.499 +ATOM 1386 H GLN A 111 68.182 -19.293 27.499 ATOM 1387 CA GLN A 111 66.338 -19.392 28.577 ATOM 1388 HA GLN A 111 65.679 -18.533 28.524 ATOM 1389 CB GLN A 111 65.903 -20.427 27.541 -ATOM 1390 HB1 GLN A 111 66.723 -21.023 27.086 +ATOM 1390 HB3 GLN A 111 66.723 -21.023 27.086 ATOM 1391 HB2 GLN A 111 65.205 -21.209 27.909 ATOM 1392 CG GLN A 111 65.180 -19.876 26.333 -ATOM 1393 HG1 GLN A 111 64.133 -19.587 26.567 +ATOM 1393 HG3 GLN A 111 64.133 -19.587 26.567 ATOM 1394 HG2 GLN A 111 65.677 -18.970 25.925 ATOM 1395 CD GLN A 111 65.111 -20.883 25.199 ATOM 1396 OE1 GLN A 111 66.120 -21.480 24.822 @@ -1402,7 +1402,7 @@ ATOM 1399 HE22 GLN A 111 63.098 -20.599 24.960 ATOM 1400 C GLN A 111 66.241 -19.990 29.972 ATOM 1401 O GLN A 111 65.286 -19.722 30.710 ATOM 1402 N VAL A 112 67.225 -20.812 30.345 -ATOM 1403 HN VAL A 112 67.973 -21.003 29.711 +ATOM 1403 H VAL A 112 67.973 -21.003 29.711 ATOM 1404 CA VAL A 112 67.226 -21.436 31.663 ATOM 1405 HA VAL A 112 66.282 -21.946 31.816 ATOM 1406 CB VAL A 112 68.351 -22.482 31.750 @@ -1418,22 +1418,22 @@ ATOM 1415 HG23 VAL A 112 67.909 -23.371 29.817 ATOM 1416 C VAL A 112 67.359 -20.380 32.751 ATOM 1417 O VAL A 112 66.674 -20.435 33.780 ATOM 1418 N SER A 113 68.234 -19.395 32.535 -ATOM 1419 HN SER A 113 68.736 -19.366 31.672 +ATOM 1419 H SER A 113 68.736 -19.366 31.672 ATOM 1420 CA SER A 113 68.470 -18.362 33.535 ATOM 1421 HA SER A 113 68.736 -18.867 34.456 ATOM 1422 CB SER A 113 69.616 -17.451 33.088 -ATOM 1423 HB1 SER A 113 69.330 -16.858 32.193 +ATOM 1423 HB3 SER A 113 69.330 -16.858 32.193 ATOM 1424 HB2 SER A 113 69.897 -16.738 33.892 ATOM 1425 OG SER A 113 70.769 -18.206 32.757 -ATOM 1426 HG1 SER A 113 71.492 -17.631 32.475 +ATOM 1426 HG SER A 113 71.492 -17.631 32.475 ATOM 1427 C SER A 113 67.228 -17.528 33.820 ATOM 1428 O SER A 113 67.188 -16.827 34.837 ATOM 1429 N LEU A 114 66.213 -17.586 32.953 -ATOM 1430 HN LEU A 114 66.307 -18.123 32.116 +ATOM 1430 H LEU A 114 66.307 -18.123 32.116 ATOM 1431 CA LEU A 114 64.969 -16.872 33.217 ATOM 1432 HA LEU A 114 65.225 -15.833 33.388 ATOM 1433 CB LEU A 114 64.033 -16.979 32.014 -ATOM 1434 HB1 LEU A 114 63.807 -18.010 31.668 +ATOM 1434 HB3 LEU A 114 63.807 -18.010 31.668 ATOM 1435 HB2 LEU A 114 63.020 -16.544 32.150 ATOM 1436 CG LEU A 114 64.516 -16.299 30.734 ATOM 1437 HG LEU A 114 65.467 -16.732 30.446 @@ -1448,7 +1448,7 @@ ATOM 1445 HD23 LEU A 114 63.782 -14.328 31.289 ATOM 1446 C LEU A 114 64.266 -17.385 34.467 ATOM 1447 O LEU A 114 63.400 -16.691 35.008 ATOM 1448 N ALA A 115 64.616 -18.586 34.934 -ATOM 1449 HN ALA A 115 65.264 -19.145 34.419 +ATOM 1449 H ALA A 115 65.264 -19.145 34.419 ATOM 1450 CA ALA A 115 64.066 -19.091 36.184 ATOM 1451 HA ALA A 115 62.992 -18.952 36.142 ATOM 1452 CB ALA A 115 64.393 -20.577 36.337 @@ -1458,7 +1458,7 @@ ATOM 1455 HB3 ALA A 115 65.494 -20.725 36.342 ATOM 1456 C ALA A 115 64.580 -18.322 37.394 ATOM 1457 O ALA A 115 63.953 -18.375 38.457 ATOM 1458 N ILE A 116 65.687 -17.605 37.255 -ATOM 1459 HN ILE A 116 66.078 -17.506 36.341 +ATOM 1459 H ILE A 116 66.078 -17.506 36.341 ATOM 1460 CA ILE A 116 66.362 -16.953 38.374 ATOM 1461 HA ILE A 116 66.078 -17.440 39.300 ATOM 1462 CB ILE A 116 67.888 -17.077 38.256 @@ -1468,40 +1468,40 @@ ATOM 1465 HG21 ILE A 116 69.676 -16.497 39.354 ATOM 1466 HG22 ILE A 116 68.255 -16.881 40.393 ATOM 1467 HG23 ILE A 116 68.311 -15.328 39.481 ATOM 1468 CG1 ILE A 116 68.294 -18.548 38.150 -ATOM 1469 HG11 ILE A 116 68.337 -19.070 39.130 +ATOM 1469 HG13 ILE A 116 68.337 -19.070 39.130 ATOM 1470 HG12 ILE A 116 67.603 -19.158 37.529 ATOM 1471 CD1 ILE A 116 69.660 -18.758 37.535 -ATOM 1472 HD1 ILE A 116 69.955 -19.826 37.458 -ATOM 1473 HD2 ILE A 116 70.483 -18.273 38.102 -ATOM 1474 HD3 ILE A 116 69.750 -18.360 36.502 +ATOM 1472 HD11 ILE A 116 69.955 -19.826 37.458 +ATOM 1473 HD12 ILE A 116 70.483 -18.273 38.102 +ATOM 1474 HD13 ILE A 116 69.750 -18.360 36.502 ATOM 1475 C ILE A 116 65.937 -15.488 38.404 ATOM 1476 O ILE A 116 66.078 -14.795 37.384 ATOM 1477 N PRO A 117 65.421 -14.981 39.524 ATOM 1478 CD PRO A 117 65.055 -15.705 40.753 -ATOM 1479 HD1 PRO A 117 66.028 -15.805 41.280 +ATOM 1479 HD3 PRO A 117 66.028 -15.805 41.280 ATOM 1480 HD2 PRO A 117 64.628 -16.654 40.364 ATOM 1481 CA PRO A 117 65.102 -13.552 39.605 ATOM 1482 HA PRO A 117 64.438 -13.219 38.816 ATOM 1483 CB PRO A 117 64.480 -13.400 41.001 -ATOM 1484 HB1 PRO A 117 63.621 -12.709 40.864 +ATOM 1484 HB3 PRO A 117 63.621 -12.709 40.864 ATOM 1485 HB2 PRO A 117 65.288 -12.978 41.636 ATOM 1486 CG PRO A 117 64.071 -14.784 41.402 -ATOM 1487 HG1 PRO A 117 63.076 -15.073 41.002 +ATOM 1487 HG3 PRO A 117 63.076 -15.073 41.002 ATOM 1488 HG2 PRO A 117 64.164 -14.962 42.495 ATOM 1489 C PRO A 117 66.359 -12.708 39.462 ATOM 1490 O PRO A 117 67.449 -13.102 39.884 ATOM 1491 N ARG A 118 66.196 -11.540 38.845 -ATOM 1492 HN ARG A 118 65.292 -11.282 38.506 +ATOM 1492 H ARG A 118 65.292 -11.282 38.506 ATOM 1493 CA ARG A 118 67.321 -10.634 38.659 ATOM 1494 HA ARG A 118 68.104 -11.158 38.124 ATOM 1495 CB ARG A 118 66.895 -9.421 37.829 -ATOM 1496 HB1 ARG A 118 65.866 -9.066 38.049 +ATOM 1496 HB3 ARG A 118 65.866 -9.066 38.049 ATOM 1497 HB2 ARG A 118 67.540 -8.528 37.975 ATOM 1498 CG ARG A 118 66.908 -9.669 36.325 -ATOM 1499 HG1 ARG A 118 67.858 -10.135 35.986 +ATOM 1499 HG3 ARG A 118 67.858 -10.135 35.986 ATOM 1500 HG2 ARG A 118 66.088 -10.347 36.006 ATOM 1501 CD ARG A 118 66.745 -8.380 35.530 -ATOM 1502 HD1 ARG A 118 67.598 -7.686 35.690 +ATOM 1502 HD3 ARG A 118 67.598 -7.686 35.690 ATOM 1503 HD2 ARG A 118 65.821 -7.833 35.816 ATOM 1504 NE ARG A 118 66.664 -8.635 34.094 ATOM 1505 HE ARG A 118 67.401 -9.160 33.670 @@ -1515,25 +1515,25 @@ ATOM 1512 HH22 ARG A 118 66.435 -9.029 31.633 ATOM 1513 C ARG A 118 67.871 -10.191 40.009 ATOM 1514 O ARG A 118 67.115 -9.908 40.943 ATOM 1515 N GLY A 119 69.199 -10.140 40.111 -ATOM 1516 HN GLY A 119 69.754 -10.301 39.296 +ATOM 1516 H GLY A 119 69.754 -10.301 39.296 ATOM 1517 CA GLY A 119 69.859 -9.859 41.364 -ATOM 1518 HA1 GLY A 119 70.860 -9.387 41.266 +ATOM 1518 HA3 GLY A 119 70.860 -9.387 41.266 ATOM 1519 HA2 GLY A 119 69.306 -9.169 42.036 ATOM 1520 C GLY A 119 70.117 -11.073 42.229 ATOM 1521 O GLY A 119 70.798 -10.952 43.256 ATOM 1522 N SER A 120 69.590 -12.232 41.853 -ATOM 1523 HN SER A 120 68.985 -12.245 41.058 +ATOM 1523 H SER A 120 68.985 -12.245 41.058 ATOM 1524 CA SER A 120 69.853 -13.483 42.544 ATOM 1525 HA SER A 120 70.256 -13.253 43.524 ATOM 1526 CB SER A 120 68.567 -14.287 42.733 -ATOM 1527 HB1 SER A 120 68.018 -14.389 41.772 +ATOM 1527 HB3 SER A 120 68.018 -14.389 41.772 ATOM 1528 HB2 SER A 120 68.789 -15.308 43.112 ATOM 1529 OG SER A 120 67.707 -13.654 43.662 -ATOM 1530 HG1 SER A 120 66.895 -14.162 43.781 +ATOM 1530 HG SER A 120 66.895 -14.162 43.781 ATOM 1531 C SER A 120 70.866 -14.303 41.757 ATOM 1532 O SER A 120 70.897 -14.270 40.525 ATOM 1533 N THR A 121 71.703 -15.038 42.486 -ATOM 1534 HN THR A 121 71.632 -15.008 43.482 +ATOM 1534 H THR A 121 71.632 -15.008 43.482 ATOM 1535 CA THR A 121 72.716 -15.882 41.877 ATOM 1536 HA THR A 121 72.564 -15.895 40.804 ATOM 1537 CB THR A 121 74.127 -15.338 42.132 @@ -1548,33 +1548,33 @@ ATOM 1545 C THR A 121 72.583 -17.290 42.445 ATOM 1546 O THR A 121 72.545 -17.461 43.676 ATOM 1547 N PRO A 122 72.503 -18.313 41.600 ATOM 1548 CD PRO A 122 72.455 -18.272 40.127 -ATOM 1549 HD1 PRO A 122 73.397 -17.751 39.853 +ATOM 1549 HD3 PRO A 122 73.397 -17.751 39.853 ATOM 1550 HD2 PRO A 122 71.527 -17.699 39.915 ATOM 1551 CA PRO A 122 72.424 -19.683 42.114 ATOM 1552 HA PRO A 122 71.808 -19.767 43.002 ATOM 1553 CB PRO A 122 71.873 -20.471 40.922 -ATOM 1554 HB1 PRO A 122 70.771 -20.409 41.051 +ATOM 1554 HB3 PRO A 122 70.771 -20.409 41.051 ATOM 1555 HB2 PRO A 122 72.297 -21.489 41.060 ATOM 1556 CG PRO A 122 72.401 -19.735 39.736 -ATOM 1557 HG1 PRO A 122 71.720 -19.802 38.861 +ATOM 1557 HG3 PRO A 122 71.720 -19.802 38.861 ATOM 1558 HG2 PRO A 122 73.441 -20.033 39.484 ATOM 1559 C PRO A 122 73.792 -20.198 42.528 ATOM 1560 O PRO A 122 74.817 -19.863 41.926 ATOM 1561 N LYS A 123 73.802 -21.007 43.582 -ATOM 1562 HN LYS A 123 72.970 -21.130 44.121 +ATOM 1562 H LYS A 123 72.970 -21.130 44.121 ATOM 1563 CA LYS A 123 75.017 -21.715 43.956 ATOM 1564 HA LYS A 123 75.820 -21.001 44.098 ATOM 1565 CB LYS A 123 74.814 -22.462 45.273 -ATOM 1566 HB1 LYS A 123 74.002 -23.219 45.232 +ATOM 1566 HB3 LYS A 123 74.002 -23.219 45.232 ATOM 1567 HB2 LYS A 123 75.714 -23.020 45.609 ATOM 1568 CG LYS A 123 74.453 -21.554 46.434 -ATOM 1569 HG1 LYS A 123 75.147 -20.690 46.513 +ATOM 1569 HG3 LYS A 123 75.147 -20.690 46.513 ATOM 1570 HG2 LYS A 123 73.427 -21.140 46.330 ATOM 1571 CD LYS A 123 74.504 -22.288 47.759 -ATOM 1572 HD1 LYS A 123 75.468 -22.830 47.867 +ATOM 1572 HD3 LYS A 123 75.468 -22.830 47.867 ATOM 1573 HD2 LYS A 123 73.676 -23.026 47.827 ATOM 1574 CE LYS A 123 74.372 -21.312 48.913 -ATOM 1575 HE1 LYS A 123 74.442 -20.253 48.585 +ATOM 1575 HE3 LYS A 123 74.442 -20.253 48.585 ATOM 1576 HE2 LYS A 123 75.162 -21.452 49.682 ATOM 1577 NZ LYS A 123 73.073 -21.442 49.624 ATOM 1578 HZ1 LYS A 123 72.986 -20.799 50.384 @@ -1583,11 +1583,11 @@ ATOM 1580 HZ3 LYS A 123 72.938 -22.353 50.012 ATOM 1581 C LYS A 123 75.400 -22.680 42.843 ATOM 1582 O LYS A 123 74.556 -23.418 42.325 ATOM 1583 N LEU A 124 76.675 -22.660 42.463 -ATOM 1584 HN LEU A 124 77.324 -22.093 42.967 +ATOM 1584 H LEU A 124 77.324 -22.093 42.967 ATOM 1585 CA LEU A 124 77.150 -23.447 41.326 ATOM 1586 HA LEU A 124 76.362 -23.541 40.587 ATOM 1587 CB LEU A 124 78.313 -22.741 40.644 -ATOM 1588 HB1 LEU A 124 79.192 -22.603 41.309 +ATOM 1588 HB3 LEU A 124 79.192 -22.603 41.309 ATOM 1589 HB2 LEU A 124 78.697 -23.286 39.755 ATOM 1590 CG LEU A 124 77.957 -21.338 40.140 ATOM 1591 HG LEU A 124 77.614 -20.755 40.987 @@ -1602,7 +1602,7 @@ ATOM 1599 HD23 LEU A 124 77.133 -22.026 38.245 ATOM 1600 C LEU A 124 77.517 -24.854 41.796 ATOM 1601 O LEU A 124 78.674 -25.278 41.804 ATOM 1602 N THR A 125 76.478 -25.575 42.216 -ATOM 1603 HN THR A 125 75.584 -25.132 42.268 +ATOM 1603 H THR A 125 75.584 -25.132 42.268 ATOM 1604 CA THR A 125 76.579 -26.973 42.603 ATOM 1605 HA THR A 125 77.529 -27.359 42.251 ATOM 1606 CB THR A 125 76.556 -27.157 44.128 @@ -1616,27 +1616,27 @@ ATOM 1613 HG23 THR A 125 78.644 -26.617 44.424 ATOM 1614 C THR A 125 75.418 -27.729 41.975 ATOM 1615 O THR A 125 74.511 -27.140 41.381 ATOM 1616 N GLY A 126 75.446 -29.042 42.122 -ATOM 1617 HN GLY A 126 76.224 -29.460 42.589 +ATOM 1617 H GLY A 126 76.224 -29.460 42.589 ATOM 1618 CA GLY A 126 74.387 -29.893 41.629 -ATOM 1619 HA1 GLY A 126 74.078 -30.648 42.383 +ATOM 1619 HA3 GLY A 126 74.078 -30.648 42.383 ATOM 1620 HA2 GLY A 126 73.479 -29.312 41.362 ATOM 1621 C GLY A 126 74.806 -30.655 40.386 ATOM 1622 O GLY A 126 75.973 -30.672 39.983 ATOM 1623 N LYS A 127 73.814 -31.286 39.766 -ATOM 1624 HN LYS A 127 72.874 -31.140 40.072 +ATOM 1624 H LYS A 127 72.874 -31.140 40.072 ATOM 1625 CA LYS A 127 74.069 -32.183 38.653 ATOM 1626 HA LYS A 127 74.929 -32.793 38.905 ATOM 1627 CB LYS A 127 72.863 -33.093 38.419 -ATOM 1628 HB1 LYS A 127 71.916 -32.539 38.242 +ATOM 1628 HB3 LYS A 127 71.916 -32.539 38.242 ATOM 1629 HB2 LYS A 127 72.976 -33.762 37.539 ATOM 1630 CG LYS A 127 72.566 -34.020 39.586 -ATOM 1631 HG1 LYS A 127 73.429 -34.673 39.837 +ATOM 1631 HG3 LYS A 127 73.429 -34.673 39.837 ATOM 1632 HG2 LYS A 127 72.313 -33.464 40.514 ATOM 1633 CD LYS A 127 71.395 -34.944 39.306 -ATOM 1634 HD1 LYS A 127 71.519 -35.436 38.318 +ATOM 1634 HD3 LYS A 127 71.519 -35.436 38.318 ATOM 1635 HD2 LYS A 127 70.444 -34.370 39.299 ATOM 1636 CE LYS A 127 71.304 -36.021 40.376 -ATOM 1637 HE1 LYS A 127 71.201 -35.596 41.397 +ATOM 1637 HE3 LYS A 127 71.201 -35.596 41.397 ATOM 1638 HE2 LYS A 127 72.203 -36.674 40.397 ATOM 1639 NZ LYS A 127 70.135 -36.922 40.177 ATOM 1640 HZ1 LYS A 127 70.075 -37.629 40.880 @@ -1645,7 +1645,7 @@ ATOM 1642 HZ3 LYS A 127 70.166 -37.399 39.300 ATOM 1643 C LYS A 127 74.396 -31.405 37.380 ATOM 1644 O LYS A 127 74.134 -30.204 37.260 ATOM 1645 N ALA A 128 74.992 -32.114 36.426 -ATOM 1646 HN ALA A 128 75.286 -33.045 36.638 +ATOM 1646 H ALA A 128 75.286 -33.045 36.638 ATOM 1647 CA ALA A 128 75.236 -31.599 35.088 ATOM 1648 HA ALA A 128 75.249 -30.516 35.132 ATOM 1649 CB ALA A 128 76.594 -32.066 34.557 @@ -1655,7 +1655,7 @@ ATOM 1652 HB3 ALA A 128 76.645 -33.175 34.509 ATOM 1653 C ALA A 128 74.124 -32.060 34.156 ATOM 1654 O ALA A 128 73.561 -33.145 34.323 ATOM 1655 N VAL A 129 73.807 -31.228 33.169 -ATOM 1656 HN VAL A 129 74.363 -30.410 33.032 +ATOM 1656 H VAL A 129 74.363 -30.410 33.032 ATOM 1657 CA VAL A 129 72.676 -31.467 32.279 ATOM 1658 HA VAL A 129 72.155 -32.358 32.611 ATOM 1659 CB VAL A 129 71.663 -30.315 32.324 @@ -1671,11 +1671,11 @@ ATOM 1668 HG23 VAL A 129 72.447 -29.510 34.160 ATOM 1669 C VAL A 129 73.195 -31.668 30.866 ATOM 1670 O VAL A 129 73.911 -30.811 30.332 ATOM 1671 N ASP A 130 72.826 -32.790 30.259 -ATOM 1672 HN ASP A 130 72.321 -33.472 30.786 +ATOM 1672 H ASP A 130 72.321 -33.472 30.786 ATOM 1673 CA ASP A 130 73.123 -33.072 28.862 ATOM 1674 HA ASP A 130 73.839 -32.352 28.483 ATOM 1675 CB ASP A 130 73.759 -34.454 28.705 -ATOM 1676 HB1 ASP A 130 73.069 -35.275 28.996 +ATOM 1676 HB3 ASP A 130 73.069 -35.275 28.996 ATOM 1677 HB2 ASP A 130 74.069 -34.663 27.659 ATOM 1678 CG ASP A 130 75.000 -34.621 29.556 ATOM 1679 OD1 ASP A 130 75.857 -33.711 29.542 @@ -1683,7 +1683,7 @@ ATOM 1680 OD2 ASP A 130 75.115 -35.655 30.249 ATOM 1681 C ASP A 130 71.825 -32.973 28.074 ATOM 1682 O ASP A 130 70.873 -33.716 28.342 ATOM 1683 N VAL A 131 71.782 -32.047 27.121 -ATOM 1684 HN VAL A 131 72.586 -31.472 26.977 +ATOM 1684 H VAL A 131 72.586 -31.472 26.977 ATOM 1685 CA VAL A 131 70.613 -31.834 26.277 ATOM 1686 HA VAL A 131 69.753 -32.334 26.708 ATOM 1687 CB VAL A 131 70.241 -30.346 26.189 @@ -1699,11 +1699,11 @@ ATOM 1696 HG23 VAL A 131 71.150 -29.829 28.092 ATOM 1697 C VAL A 131 70.918 -32.413 24.904 ATOM 1698 O VAL A 131 71.836 -31.948 24.216 ATOM 1699 N TYR A 132 70.158 -33.428 24.507 -ATOM 1700 HN TYR A 132 69.435 -33.750 25.116 +ATOM 1700 H TYR A 132 69.435 -33.750 25.116 ATOM 1701 CA TYR A 132 70.335 -34.091 23.221 ATOM 1702 HA TYR A 132 71.289 -33.799 22.797 ATOM 1703 CB TYR A 132 70.351 -35.611 23.386 -ATOM 1704 HB1 TYR A 132 69.400 -36.030 23.779 +ATOM 1704 HB3 TYR A 132 69.400 -36.030 23.779 ATOM 1705 HB2 TYR A 132 70.534 -36.164 22.440 ATOM 1706 CG TYR A 132 71.413 -36.111 24.335 ATOM 1707 CD1 TYR A 132 72.761 -36.046 23.999 @@ -1720,11 +1720,11 @@ ATOM 1717 HE2 TYR A 132 71.743 -37.523 27.399 ATOM 1718 C TYR A 132 69.210 -33.666 22.289 ATOM 1719 O TYR A 132 68.034 -33.924 22.572 ATOM 1720 N LEU A 133 69.570 -33.021 21.183 -ATOM 1721 HN LEU A 133 70.540 -32.843 21.026 +ATOM 1721 H LEU A 133 70.540 -32.843 21.026 ATOM 1722 CA LEU A 133 68.606 -32.563 20.190 ATOM 1723 HA LEU A 133 67.616 -32.553 20.631 ATOM 1724 CB LEU A 133 68.921 -31.138 19.742 -ATOM 1725 HB1 LEU A 133 69.893 -31.025 19.216 +ATOM 1725 HB3 LEU A 133 69.893 -31.025 19.216 ATOM 1726 HB2 LEU A 133 68.181 -30.703 19.037 ATOM 1727 CG LEU A 133 68.994 -30.118 20.879 ATOM 1728 HG LEU A 133 69.818 -30.390 21.529 @@ -1739,7 +1739,7 @@ ATOM 1736 HD23 LEU A 133 66.835 -29.894 21.068 ATOM 1737 C LEU A 133 68.619 -33.520 19.005 ATOM 1738 O LEU A 133 69.660 -33.708 18.365 ATOM 1739 N VAL A 134 67.467 -34.118 18.716 -ATOM 1740 HN VAL A 134 66.663 -33.896 19.266 +ATOM 1740 H VAL A 134 66.663 -33.896 19.266 ATOM 1741 CA VAL A 134 67.324 -35.084 17.632 ATOM 1742 HA VAL A 134 68.290 -35.276 17.178 ATOM 1743 CB VAL A 134 66.831 -36.447 18.129 @@ -1755,11 +1755,11 @@ ATOM 1752 HG23 VAL A 134 67.837 -36.309 20.053 ATOM 1753 C VAL A 134 66.362 -34.478 16.618 ATOM 1754 O VAL A 134 65.138 -34.534 16.792 ATOM 1755 N ASN A 135 66.915 -33.889 15.559 -ATOM 1756 HN ASN A 135 67.911 -33.822 15.520 +ATOM 1756 H ASN A 135 67.911 -33.822 15.520 ATOM 1757 CA ASN A 135 66.141 -33.337 14.453 ATOM 1758 HA ASN A 135 65.131 -33.104 14.770 ATOM 1759 CB ASN A 135 66.760 -32.029 13.965 -ATOM 1760 HB1 ASN A 135 66.893 -31.284 14.778 +ATOM 1760 HB3 ASN A 135 66.893 -31.284 14.778 ATOM 1761 HB2 ASN A 135 67.766 -32.169 13.514 ATOM 1762 CG ASN A 135 65.922 -31.339 12.904 ATOM 1763 OD1 ASN A 135 64.859 -31.823 12.516 @@ -1769,14 +1769,14 @@ ATOM 1766 HD22 ASN A 135 67.265 -29.802 12.744 ATOM 1767 C ASN A 135 66.104 -34.387 13.348 ATOM 1768 O ASN A 135 67.109 -34.616 12.667 ATOM 1769 N GLU A 136 64.948 -35.025 13.174 -ATOM 1770 HN GLU A 136 64.137 -34.700 13.658 +ATOM 1770 H GLU A 136 64.137 -34.700 13.658 ATOM 1771 CA GLU A 136 64.833 -36.184 12.298 ATOM 1772 HA GLU A 136 65.749 -36.754 12.404 ATOM 1773 CB GLU A 136 63.631 -37.028 12.722 -ATOM 1774 HB1 GLU A 136 62.659 -36.518 12.552 +ATOM 1774 HB3 GLU A 136 62.659 -36.518 12.552 ATOM 1775 HB2 GLU A 136 63.562 -37.993 12.176 ATOM 1776 CG GLU A 136 63.649 -37.394 14.202 -ATOM 1777 HG1 GLU A 136 64.673 -37.590 14.585 +ATOM 1777 HG3 GLU A 136 64.673 -37.590 14.585 ATOM 1778 HG2 GLU A 136 63.230 -36.594 14.849 ATOM 1779 CD GLU A 136 62.846 -38.639 14.509 ATOM 1780 OE1 GLU A 136 61.613 -38.617 14.309 @@ -1784,11 +1784,11 @@ ATOM 1781 OE2 GLU A 136 63.451 -39.642 14.948 ATOM 1782 C GLU A 136 64.728 -35.818 10.822 ATOM 1783 O GLU A 136 64.733 -36.719 9.977 ATOM 1784 N ASN A 137 64.633 -34.532 10.493 -ATOM 1785 HN ASN A 137 64.525 -33.860 11.224 +ATOM 1785 H ASN A 137 64.525 -33.860 11.224 ATOM 1786 CA ASN A 137 64.680 -34.057 9.109 ATOM 1787 HA ASN A 137 65.187 -34.779 8.479 ATOM 1788 CB ASN A 137 63.271 -33.904 8.533 -ATOM 1789 HB1 ASN A 137 62.634 -33.227 9.141 +ATOM 1789 HB3 ASN A 137 62.634 -33.227 9.141 ATOM 1790 HB2 ASN A 137 63.275 -33.486 7.503 ATOM 1791 CG ASN A 137 62.527 -35.229 8.452 ATOM 1792 OD1 ASN A 137 62.812 -36.062 7.590 @@ -1799,24 +1799,24 @@ ATOM 1796 C ASN A 137 65.448 -32.742 9.092 ATOM 1797 O ASN A 137 64.878 -31.665 8.874 ATOM 1798 N PRO A 138 66.769 -32.799 9.303 ATOM 1799 CD PRO A 138 67.605 -34.011 9.330 -ATOM 1800 HD1 PRO A 138 67.387 -34.495 8.354 +ATOM 1800 HD3 PRO A 138 67.387 -34.495 8.354 ATOM 1801 HD2 PRO A 138 67.229 -34.562 10.219 ATOM 1802 CA PRO A 138 67.539 -31.578 9.589 ATOM 1803 HA PRO A 138 67.011 -30.941 10.289 ATOM 1804 CB PRO A 138 68.875 -32.129 10.104 -ATOM 1805 HB1 PRO A 138 68.754 -32.163 11.208 +ATOM 1805 HB3 PRO A 138 68.754 -32.163 11.208 ATOM 1806 HB2 PRO A 138 69.631 -31.394 9.755 ATOM 1807 CG PRO A 138 68.995 -33.469 9.467 -ATOM 1808 HG1 PRO A 138 69.558 -34.183 10.105 +ATOM 1808 HG3 PRO A 138 69.558 -34.183 10.105 ATOM 1809 HG2 PRO A 138 69.418 -33.405 8.442 ATOM 1810 C PRO A 138 67.750 -30.661 8.392 ATOM 1811 O PRO A 138 68.480 -29.670 8.498 ATOM 1812 N ASN A 139 67.133 -30.971 7.253 -ATOM 1813 HN ASN A 139 66.647 -31.841 7.182 +ATOM 1813 H ASN A 139 66.647 -31.841 7.182 ATOM 1814 CA ASN A 139 67.150 -30.070 6.108 ATOM 1815 HA ASN A 139 68.001 -29.414 6.251 ATOM 1816 CB ASN A 139 67.301 -30.862 4.803 -ATOM 1817 HB1 ASN A 139 66.493 -31.612 4.660 +ATOM 1817 HB3 ASN A 139 66.493 -31.612 4.660 ATOM 1818 HB2 ASN A 139 67.280 -30.212 3.902 ATOM 1819 CG ASN A 139 68.607 -31.634 4.733 ATOM 1820 OD1 ASN A 139 69.648 -31.163 5.191 @@ -1826,14 +1826,14 @@ ATOM 1823 HD22 ASN A 139 67.709 -33.211 3.784 ATOM 1824 C ASN A 139 65.903 -29.202 6.020 ATOM 1825 O ASN A 139 65.938 -28.155 5.364 ATOM 1826 N GLU A 140 64.816 -29.610 6.672 -ATOM 1827 HN GLU A 140 64.868 -30.442 7.222 +ATOM 1827 H GLU A 140 64.868 -30.442 7.222 ATOM 1828 CA GLU A 140 63.554 -28.885 6.611 ATOM 1829 HA GLU A 140 63.321 -28.674 5.574 ATOM 1830 CB GLU A 140 62.440 -29.739 7.210 -ATOM 1831 HB1 GLU A 140 62.503 -30.815 6.943 +ATOM 1831 HB3 GLU A 140 62.503 -30.815 6.943 ATOM 1832 HB2 GLU A 140 62.410 -29.728 8.321 ATOM 1833 CG GLU A 140 61.049 -29.321 6.786 -ATOM 1834 HG1 GLU A 140 60.261 -29.911 7.300 +ATOM 1834 HG3 GLU A 140 60.261 -29.911 7.300 ATOM 1835 HG2 GLU A 140 60.847 -28.252 7.012 ATOM 1836 CD GLU A 140 60.829 -29.502 5.299 ATOM 1837 OE1 GLU A 140 60.883 -30.657 4.822 @@ -1841,20 +1841,20 @@ ATOM 1838 OE2 GLU A 140 60.612 -28.486 4.604 ATOM 1839 C GLU A 140 63.662 -27.560 7.357 ATOM 1840 O GLU A 140 63.981 -27.537 8.551 ATOM 1841 N LYS A 141 63.386 -26.451 6.657 -ATOM 1842 HN LYS A 141 63.203 -26.507 5.676 +ATOM 1842 H LYS A 141 63.203 -26.507 5.676 ATOM 1843 CA LYS A 141 63.355 -25.161 7.340 ATOM 1844 HA LYS A 141 62.987 -25.360 8.340 ATOM 1845 CB LYS A 141 64.765 -24.550 7.417 -ATOM 1846 HB1 LYS A 141 64.867 -23.650 8.060 +ATOM 1846 HB3 LYS A 141 64.867 -23.650 8.060 ATOM 1847 HB2 LYS A 141 65.560 -25.218 7.811 ATOM 1848 CG LYS A 141 65.354 -24.080 6.099 -ATOM 1849 HG1 LYS A 141 65.557 -24.955 5.445 +ATOM 1849 HG3 LYS A 141 65.557 -24.955 5.445 ATOM 1850 HG2 LYS A 141 64.638 -23.401 5.589 ATOM 1851 CD LYS A 141 66.656 -23.334 6.355 -ATOM 1852 HD1 LYS A 141 67.431 -23.987 6.811 +ATOM 1852 HD3 LYS A 141 67.431 -23.987 6.811 ATOM 1853 HD2 LYS A 141 66.518 -22.474 7.045 ATOM 1854 CE LYS A 141 67.256 -22.775 5.079 -ATOM 1855 HE1 LYS A 141 66.482 -22.263 4.469 +ATOM 1855 HE3 LYS A 141 66.482 -22.263 4.469 ATOM 1856 HE2 LYS A 141 67.700 -23.585 4.462 ATOM 1857 NZ LYS A 141 68.329 -21.788 5.385 ATOM 1858 HZ1 LYS A 141 68.724 -21.420 4.545 @@ -1863,7 +1863,7 @@ ATOM 1860 HZ3 LYS A 141 69.064 -22.213 5.912 ATOM 1861 C LYS A 141 62.396 -24.163 6.694 ATOM 1862 O LYS A 141 62.512 -22.961 6.959 ATOM 1863 N ALA A 142 61.449 -24.616 5.877 -ATOM 1864 HN ALA A 142 61.401 -25.595 5.682 +ATOM 1864 H ALA A 142 61.401 -25.595 5.682 ATOM 1865 CA ALA A 142 60.481 -23.721 5.261 ATOM 1866 HA ALA A 142 60.932 -22.738 5.188 ATOM 1867 CB ALA A 142 60.118 -24.197 3.853 @@ -1873,11 +1873,11 @@ ATOM 1870 HB3 ALA A 142 59.675 -25.216 3.882 ATOM 1871 C ALA A 142 59.224 -23.629 6.115 ATOM 1872 O ALA A 142 58.781 -24.619 6.704 ATOM 1873 N PHE A 143 58.660 -22.428 6.187 -ATOM 1874 HN PHE A 143 59.139 -21.636 5.811 +ATOM 1874 H PHE A 143 59.139 -21.636 5.811 ATOM 1875 CA PHE A 143 57.357 -22.248 6.804 ATOM 1876 HA PHE A 143 57.321 -22.848 7.706 ATOM 1877 CB PHE A 143 57.129 -20.786 7.192 -ATOM 1878 HB1 PHE A 143 57.393 -20.061 6.392 +ATOM 1878 HB3 PHE A 143 57.393 -20.061 6.392 ATOM 1879 HB2 PHE A 143 56.075 -20.548 7.451 ATOM 1880 CG PHE A 143 57.924 -20.342 8.385 ATOM 1881 CD1 PHE A 143 57.579 -20.761 9.661 @@ -1893,22 +1893,22 @@ ATOM 1890 HE2 PHE A 143 60.593 -18.425 9.189 ATOM 1891 C PHE A 143 56.269 -22.700 5.843 ATOM 1892 O PHE A 143 56.324 -22.422 4.642 ATOM 1893 N SER A 144 55.281 -23.409 6.378 -ATOM 1894 HN SER A 144 55.336 -23.668 7.341 +ATOM 1894 H SER A 144 55.336 -23.668 7.341 ATOM 1895 CA SER A 144 54.122 -23.818 5.602 ATOM 1896 HA SER A 144 53.796 -22.994 4.977 ATOM 1897 CB SER A 144 54.449 -24.973 4.649 -ATOM 1898 HB1 SER A 144 53.643 -25.112 3.897 +ATOM 1898 HB3 SER A 144 53.643 -25.112 3.897 ATOM 1899 HB2 SER A 144 55.396 -24.783 4.100 ATOM 1900 OG SER A 144 54.595 -26.191 5.355 -ATOM 1901 HG1 SER A 144 54.801 -26.919 4.755 +ATOM 1901 HG SER A 144 54.801 -26.919 4.755 ATOM 1902 C SER A 144 53.026 -24.210 6.577 ATOM 1903 O SER A 144 53.294 -24.539 7.736 ATOM 1904 N LEU A 145 51.783 -24.160 6.098 -ATOM 1905 HN LEU A 145 51.620 -23.848 5.163 +ATOM 1905 H LEU A 145 51.620 -23.848 5.163 ATOM 1906 CA LEU A 145 50.662 -24.561 6.938 ATOM 1907 HA LEU A 145 50.721 -23.992 7.859 ATOM 1908 CB LEU A 145 49.342 -24.250 6.234 -ATOM 1909 HB1 LEU A 145 49.279 -24.629 5.192 +ATOM 1909 HB3 LEU A 145 49.279 -24.629 5.192 ATOM 1910 HB2 LEU A 145 48.446 -24.675 6.734 ATOM 1911 CG LEU A 145 49.030 -22.756 6.110 ATOM 1912 HG LEU A 145 49.896 -22.266 5.680 @@ -1923,14 +1923,14 @@ ATOM 1920 HD23 LEU A 145 47.911 -22.643 7.981 ATOM 1921 C LEU A 145 50.728 -26.035 7.310 ATOM 1922 O LEU A 145 50.075 -26.451 8.273 ATOM 1923 N GLU A 146 51.513 -26.826 6.579 -ATOM 1924 HN GLU A 146 52.048 -26.416 5.841 +ATOM 1924 H GLU A 146 52.048 -26.416 5.841 ATOM 1925 CA GLU A 146 51.628 -28.259 6.805 ATOM 1926 HA GLU A 146 50.790 -28.543 7.431 ATOM 1927 CB GLU A 146 51.565 -29.011 5.471 -ATOM 1928 HB1 GLU A 146 51.431 -30.110 5.563 +ATOM 1928 HB3 GLU A 146 51.431 -30.110 5.563 ATOM 1929 HB2 GLU A 146 50.736 -28.699 4.801 ATOM 1930 CG GLU A 146 52.810 -28.869 4.599 -ATOM 1931 HG1 GLU A 146 53.725 -28.647 5.189 +ATOM 1931 HG3 GLU A 146 53.725 -28.647 5.189 ATOM 1932 HG2 GLU A 146 53.036 -29.789 4.019 ATOM 1933 CD GLU A 146 52.688 -27.752 3.580 ATOM 1934 OE1 GLU A 146 51.805 -26.886 3.748 @@ -1938,14 +1938,14 @@ ATOM 1935 OE2 GLU A 146 53.475 -27.739 2.611 ATOM 1936 C GLU A 146 52.897 -28.645 7.558 ATOM 1937 O GLU A 146 53.161 -29.839 7.726 ATOM 1938 N MET A 147 53.682 -27.670 8.020 -ATOM 1939 HN MET A 147 53.412 -26.716 7.896 +ATOM 1939 H MET A 147 53.412 -26.716 7.896 ATOM 1940 CA MET A 147 54.932 -27.984 8.705 ATOM 1941 HA MET A 147 55.516 -28.632 8.062 ATOM 1942 CB MET A 147 55.738 -26.708 8.970 -ATOM 1943 HB1 MET A 147 56.771 -26.876 9.342 +ATOM 1943 HB3 MET A 147 56.771 -26.876 9.342 ATOM 1944 HB2 MET A 147 55.884 -26.054 8.083 ATOM 1945 CG MET A 147 55.134 -25.773 10.007 -ATOM 1946 HG1 MET A 147 54.040 -25.637 9.870 +ATOM 1946 HG3 MET A 147 54.040 -25.637 9.870 ATOM 1947 HG2 MET A 147 55.275 -26.143 11.045 ATOM 1948 SD MET A 147 55.861 -24.123 9.954 ATOM 1949 CE MET A 147 56.544 -23.997 11.603 @@ -1955,11 +1955,11 @@ ATOM 1952 HE3 MET A 147 57.290 -24.806 11.757 ATOM 1953 C MET A 147 54.659 -28.720 10.014 ATOM 1954 O MET A 147 53.590 -28.594 10.615 ATOM 1955 N ASP A 148 55.643 -29.506 10.449 -ATOM 1956 HN ASP A 148 56.510 -29.505 9.952 +ATOM 1956 H ASP A 148 56.510 -29.505 9.952 ATOM 1957 CA ASP A 148 55.511 -30.368 11.620 ATOM 1958 HA ASP A 148 54.461 -30.544 11.825 ATOM 1959 CB ASP A 148 56.157 -31.730 11.366 -ATOM 1960 HB1 ASP A 148 55.948 -32.120 10.347 +ATOM 1960 HB3 ASP A 148 55.948 -32.120 10.347 ATOM 1961 HB2 ASP A 148 57.263 -31.705 11.465 ATOM 1962 CG ASP A 148 55.673 -32.797 12.332 ATOM 1963 OD1 ASP A 148 55.182 -32.438 13.423 @@ -1967,14 +1967,14 @@ ATOM 1964 OD2 ASP A 148 55.781 -33.998 12.002 ATOM 1965 C ASP A 148 56.146 -29.672 12.820 ATOM 1966 O ASP A 148 57.375 -29.581 12.917 ATOM 1967 N GLU A 149 55.307 -29.188 13.735 -ATOM 1968 HN GLU A 149 54.325 -29.299 13.588 +ATOM 1968 H GLU A 149 54.325 -29.299 13.588 ATOM 1969 CA GLU A 149 55.757 -28.505 14.939 ATOM 1970 HA GLU A 149 56.792 -28.225 14.776 ATOM 1971 CB GLU A 149 54.910 -27.254 15.181 -ATOM 1972 HB1 GLU A 149 53.817 -27.446 15.226 +ATOM 1972 HB3 GLU A 149 53.817 -27.446 15.226 ATOM 1973 HB2 GLU A 149 55.137 -26.728 16.133 ATOM 1974 CG GLU A 149 55.061 -26.183 14.113 -ATOM 1975 HG1 GLU A 149 56.119 -25.877 13.965 +ATOM 1975 HG3 GLU A 149 56.119 -25.877 13.965 ATOM 1976 HG2 GLU A 149 54.691 -26.519 13.121 ATOM 1977 CD GLU A 149 54.294 -24.918 14.449 ATOM 1978 OE1 GLU A 149 53.061 -24.896 14.251 @@ -1982,22 +1982,22 @@ ATOM 1979 OE2 GLU A 149 54.925 -23.947 14.916 ATOM 1980 C GLU A 149 55.721 -29.401 16.170 ATOM 1981 O GLU A 149 55.799 -28.896 17.295 ATOM 1982 N SER A 150 55.603 -30.713 15.982 -ATOM 1983 HN SER A 150 55.578 -31.070 15.049 +ATOM 1983 H SER A 150 55.578 -31.070 15.049 ATOM 1984 CA SER A 150 55.510 -31.641 17.097 ATOM 1985 HA SER A 150 54.935 -31.162 17.882 ATOM 1986 CB SER A 150 54.796 -32.925 16.671 -ATOM 1987 HB1 SER A 150 54.549 -33.558 17.550 +ATOM 1987 HB3 SER A 150 54.549 -33.558 17.550 ATOM 1988 HB2 SER A 150 53.847 -32.699 16.140 ATOM 1989 OG SER A 150 55.604 -33.694 15.800 -ATOM 1990 HG1 SER A 150 55.153 -34.504 15.531 +ATOM 1990 HG SER A 150 55.153 -34.504 15.531 ATOM 1991 C SER A 150 56.897 -31.977 17.639 ATOM 1992 O SER A 150 57.918 -31.802 16.968 ATOM 1993 N TYR A 151 56.919 -32.467 18.876 -ATOM 1994 HN TYR A 151 56.061 -32.569 19.377 +ATOM 1994 H TYR A 151 56.061 -32.569 19.377 ATOM 1995 CA TYR A 151 58.166 -32.858 19.515 ATOM 1996 HA TYR A 151 58.788 -33.342 18.770 ATOM 1997 CB TYR A 151 58.935 -31.645 20.048 -ATOM 1998 HB1 TYR A 151 59.945 -31.895 20.437 +ATOM 1998 HB3 TYR A 151 59.945 -31.895 20.437 ATOM 1999 HB2 TYR A 151 59.107 -30.857 19.284 ATOM 2000 CG TYR A 151 58.238 -30.941 21.189 ATOM 2001 CD1 TYR A 151 57.259 -29.988 20.942 @@ -2014,18 +2014,18 @@ ATOM 2011 HE2 TYR A 151 58.173 -30.826 24.581 ATOM 2012 C TYR A 151 57.871 -33.820 20.654 ATOM 2013 O TYR A 151 56.736 -33.934 21.124 ATOM 2014 N GLY A 152 58.918 -34.498 21.097 -ATOM 2015 HN GLY A 152 59.772 -34.456 20.580 +ATOM 2015 H GLY A 152 59.772 -34.456 20.580 ATOM 2016 CA GLY A 152 58.872 -35.302 22.309 -ATOM 2017 HA1 GLY A 152 57.882 -35.178 22.798 +ATOM 2017 HA3 GLY A 152 57.882 -35.178 22.798 ATOM 2018 HA2 GLY A 152 59.026 -36.371 22.050 ATOM 2019 C GLY A 152 59.965 -34.849 23.257 ATOM 2020 O GLY A 152 61.060 -34.491 22.823 ATOM 2021 N LEU A 153 59.658 -34.857 24.553 -ATOM 2022 HN LEU A 153 58.758 -35.189 24.833 +ATOM 2022 H LEU A 153 58.758 -35.189 24.833 ATOM 2023 CA LEU A 153 60.588 -34.398 25.578 ATOM 2024 HA LEU A 153 61.557 -34.226 25.123 ATOM 2025 CB LEU A 153 60.127 -33.070 26.191 -ATOM 2026 HB1 LEU A 153 59.508 -32.363 25.598 +ATOM 2026 HB3 LEU A 153 59.508 -32.363 25.598 ATOM 2027 HB2 LEU A 153 59.494 -33.063 27.104 ATOM 2028 CG LEU A 153 61.158 -32.041 26.679 ATOM 2029 HG LEU A 153 61.440 -31.447 25.817 @@ -2040,17 +2040,17 @@ ATOM 2037 HD23 LEU A 153 62.253 -33.362 28.064 ATOM 2038 C LEU A 153 60.709 -35.467 26.652 ATOM 2039 O LEU A 153 59.703 -35.871 27.244 ATOM 2040 N ARG A 154 61.939 -35.914 26.905 -ATOM 2041 HN ARG A 154 62.692 -35.575 26.342 +ATOM 2041 H ARG A 154 62.692 -35.575 26.342 ATOM 2042 CA ARG A 154 62.242 -36.872 27.960 ATOM 2043 HA ARG A 154 61.343 -37.029 28.545 ATOM 2044 CB ARG A 154 62.669 -38.228 27.386 -ATOM 2045 HB1 ARG A 154 63.522 -38.175 26.677 +ATOM 2045 HB3 ARG A 154 63.522 -38.175 26.677 ATOM 2046 HB2 ARG A 154 62.993 -38.965 28.151 ATOM 2047 CG ARG A 154 61.585 -38.944 26.613 -ATOM 2048 HG1 ARG A 154 61.398 -38.437 25.643 +ATOM 2048 HG3 ARG A 154 61.398 -38.437 25.643 ATOM 2049 HG2 ARG A 154 61.882 -39.995 26.407 ATOM 2050 CD ARG A 154 60.293 -38.959 27.400 -ATOM 2051 HD1 ARG A 154 59.409 -39.221 26.781 +ATOM 2051 HD3 ARG A 154 59.409 -39.221 26.781 ATOM 2052 HD2 ARG A 154 60.054 -37.978 27.863 ATOM 2053 NE ARG A 154 60.303 -39.921 28.499 ATOM 2054 HE ARG A 154 60.396 -39.566 29.428 @@ -2064,7 +2064,7 @@ ATOM 2061 HH22 ARG A 154 60.060 -41.163 26.333 ATOM 2062 C ARG A 154 63.350 -36.315 28.838 ATOM 2063 O ARG A 154 64.391 -35.884 28.331 ATOM 2064 N VAL A 155 63.124 -36.320 30.149 -ATOM 2065 HN VAL A 155 62.214 -36.574 30.474 +ATOM 2065 H VAL A 155 62.214 -36.574 30.474 ATOM 2066 CA VAL A 155 64.141 -35.973 31.134 ATOM 2067 HA VAL A 155 65.094 -35.850 30.632 ATOM 2068 CB VAL A 155 63.844 -34.629 31.832 @@ -2080,50 +2080,50 @@ ATOM 2077 HG23 VAL A 155 62.832 -33.741 30.119 ATOM 2078 C VAL A 155 64.209 -37.101 32.150 ATOM 2079 O VAL A 155 63.173 -37.558 32.646 ATOM 2080 N SER A 156 65.420 -37.555 32.449 -ATOM 2081 HN SER A 156 66.215 -37.121 32.028 +ATOM 2081 H SER A 156 66.215 -37.121 32.028 ATOM 2082 CA SER A 156 65.628 -38.663 33.369 ATOM 2083 HA SER A 156 64.893 -38.616 34.165 ATOM 2084 CB SER A 156 65.440 -40.018 32.663 -ATOM 2085 HB1 SER A 156 65.453 -40.858 33.390 +ATOM 2085 HB3 SER A 156 65.453 -40.858 33.390 ATOM 2086 HB2 SER A 156 64.472 -40.061 32.120 ATOM 2087 OG SER A 156 66.471 -40.256 31.717 -ATOM 2088 HG1 SER A 156 66.353 -41.106 31.274 +ATOM 2088 HG SER A 156 66.353 -41.106 31.274 ATOM 2089 C SER A 156 67.028 -38.546 33.944 ATOM 2090 O SER A 156 67.910 -37.951 33.314 ATOM 2091 N PRO A 157 67.264 -39.091 35.138 ATOM 2092 CD PRO A 157 66.289 -39.674 36.075 -ATOM 2093 HD1 PRO A 157 66.134 -40.695 35.665 +ATOM 2093 HD3 PRO A 157 66.134 -40.695 35.665 ATOM 2094 HD2 PRO A 157 65.419 -38.989 35.982 ATOM 2095 CA PRO A 157 68.628 -39.117 35.670 ATOM 2096 HA PRO A 157 69.085 -38.135 35.724 ATOM 2097 CB PRO A 157 68.463 -39.765 37.051 -ATOM 2098 HB1 PRO A 157 69.132 -39.186 37.723 +ATOM 2098 HB3 PRO A 157 69.132 -39.186 37.723 ATOM 2099 HB2 PRO A 157 68.779 -40.821 36.914 ATOM 2100 CG PRO A 157 67.010 -39.615 37.380 -ATOM 2101 HG1 PRO A 157 66.767 -38.623 37.816 +ATOM 2101 HG3 PRO A 157 66.767 -38.623 37.816 ATOM 2102 HG2 PRO A 157 66.615 -40.460 37.983 ATOM 2103 C PRO A 157 69.536 -39.944 34.775 ATOM 2104 O PRO A 157 69.122 -40.945 34.186 ATOM 2105 N SER A 158 70.788 -39.505 34.670 -ATOM 2106 HN SER A 158 71.047 -38.676 35.164 +ATOM 2106 H SER A 158 71.047 -38.676 35.164 ATOM 2107 CA SER A 158 71.799 -40.182 33.865 ATOM 2108 HA SER A 158 71.388 -41.099 33.459 ATOM 2109 CB SER A 158 72.226 -39.325 32.675 -ATOM 2110 HB1 SER A 158 71.345 -39.021 32.070 +ATOM 2110 HB3 SER A 158 71.345 -39.021 32.070 ATOM 2111 HB2 SER A 158 72.744 -38.403 33.017 ATOM 2112 OG SER A 158 73.112 -40.039 31.832 -ATOM 2113 HG1 SER A 158 73.382 -39.497 31.080 +ATOM 2113 HG SER A 158 73.382 -39.497 31.080 ATOM 2114 C SER A 158 72.987 -40.495 34.763 ATOM 2115 O SER A 158 73.756 -39.595 35.116 ATOM 2116 N GLY A 159 73.143 -41.767 35.124 -ATOM 2117 HN GLY A 159 72.545 -42.474 34.748 +ATOM 2117 H GLY A 159 72.545 -42.474 34.748 ATOM 2118 CA GLY A 159 74.189 -42.120 36.068 -ATOM 2119 HA1 GLY A 159 74.278 -43.223 36.165 +ATOM 2119 HA3 GLY A 159 74.278 -43.223 36.165 ATOM 2120 HA2 GLY A 159 75.172 -41.723 35.735 ATOM 2121 C GLY A 159 73.891 -41.549 37.441 ATOM 2122 O GLY A 159 72.743 -41.532 37.902 ATOM 2123 N ALA A 160 74.937 -41.059 38.104 -ATOM 2124 HN ALA A 160 75.833 -41.065 37.662 +ATOM 2124 H ALA A 160 75.833 -41.065 37.662 ATOM 2125 CA ALA A 160 74.821 -40.514 39.451 ATOM 2126 HA ALA A 160 73.871 -40.864 39.838 ATOM 2127 CB ALA A 160 75.973 -41.015 40.327 @@ -2133,11 +2133,11 @@ ATOM 2130 HB3 ALA A 160 76.948 -40.699 39.898 ATOM 2131 C ALA A 160 74.789 -38.993 39.485 ATOM 2132 O ALA A 160 74.043 -38.416 40.282 ATOM 2133 N ASP A 161 75.568 -38.323 38.637 -ATOM 2134 HN ASP A 161 76.014 -38.821 37.895 +ATOM 2134 H ASP A 161 76.014 -38.821 37.895 ATOM 2135 CA ASP A 161 75.792 -36.888 38.755 ATOM 2136 HA ASP A 161 75.208 -36.552 39.604 ATOM 2137 CB ASP A 161 77.278 -36.608 38.986 -ATOM 2138 HB1 ASP A 161 77.940 -37.213 38.330 +ATOM 2138 HB3 ASP A 161 77.940 -37.213 38.330 ATOM 2139 HB2 ASP A 161 77.554 -35.548 38.798 ATOM 2140 CG ASP A 161 77.721 -36.903 40.401 ATOM 2141 OD1 ASP A 161 78.799 -36.408 40.794 @@ -2145,17 +2145,17 @@ ATOM 2142 OD2 ASP A 161 76.996 -37.625 41.118 ATOM 2143 C ASP A 161 75.308 -36.104 37.540 ATOM 2144 O ASP A 161 75.752 -34.969 37.331 ATOM 2145 N ARG A 162 74.424 -36.672 36.721 -ATOM 2146 HN ARG A 162 73.990 -37.533 36.983 +ATOM 2146 H ARG A 162 73.990 -37.533 36.983 ATOM 2147 CA ARG A 162 74.083 -36.051 35.447 ATOM 2148 HA ARG A 162 74.297 -34.992 35.537 ATOM 2149 CB ARG A 162 74.932 -36.617 34.297 -ATOM 2150 HB1 ARG A 162 74.773 -37.700 34.107 +ATOM 2150 HB3 ARG A 162 74.773 -37.700 34.107 ATOM 2151 HB2 ARG A 162 74.746 -36.132 33.315 ATOM 2152 CG ARG A 162 76.434 -36.484 34.510 -ATOM 2153 HG1 ARG A 162 76.732 -35.439 34.744 +ATOM 2153 HG3 ARG A 162 76.732 -35.439 34.744 ATOM 2154 HG2 ARG A 162 76.794 -37.115 35.350 ATOM 2155 CD ARG A 162 77.221 -36.898 33.285 -ATOM 2156 HD1 ARG A 162 76.878 -37.878 32.890 +ATOM 2156 HD3 ARG A 162 76.878 -37.878 32.890 ATOM 2157 HD2 ARG A 162 78.305 -36.994 33.508 ATOM 2158 NE ARG A 162 77.086 -35.926 32.206 ATOM 2159 HE ARG A 162 76.402 -36.105 31.500 @@ -2169,7 +2169,7 @@ ATOM 2166 HH22 ARG A 162 76.927 -34.205 30.397 ATOM 2167 C ARG A 162 72.603 -36.237 35.136 ATOM 2168 O ARG A 162 71.935 -37.122 35.676 ATOM 2169 N VAL A 163 72.103 -35.380 34.244 -ATOM 2170 HN VAL A 163 72.705 -34.668 33.886 +ATOM 2170 H VAL A 163 72.705 -34.668 33.886 ATOM 2171 CA VAL A 163 70.728 -35.424 33.763 ATOM 2172 HA VAL A 163 70.220 -36.266 34.219 ATOM 2173 CB VAL A 163 69.942 -34.158 34.165 @@ -2185,11 +2185,11 @@ ATOM 2182 HG23 VAL A 163 71.019 -33.854 36.034 ATOM 2183 C VAL A 163 70.752 -35.584 32.249 ATOM 2184 O VAL A 163 71.569 -34.960 31.562 ATOM 2185 N ASN A 164 69.857 -36.425 31.733 -ATOM 2186 HN ASN A 164 69.261 -36.924 32.360 +ATOM 2186 H ASN A 164 69.261 -36.924 32.360 ATOM 2187 CA ASN A 164 69.701 -36.657 30.300 ATOM 2188 HA ASN A 164 70.494 -36.171 29.742 ATOM 2189 CB ASN A 164 69.803 -38.152 29.983 -ATOM 2190 HB1 ASN A 164 70.836 -38.553 30.062 +ATOM 2190 HB3 ASN A 164 70.836 -38.553 30.062 ATOM 2191 HB2 ASN A 164 69.192 -38.791 30.656 ATOM 2192 CG ASN A 164 69.344 -38.509 28.568 ATOM 2193 OD1 ASN A 164 69.088 -37.647 27.726 @@ -2199,7 +2199,7 @@ ATOM 2196 HD22 ASN A 164 69.458 -40.507 28.987 ATOM 2197 C ASN A 164 68.357 -36.072 29.878 ATOM 2198 O ASN A 164 67.301 -36.604 30.237 ATOM 2199 N ALA A 165 68.402 -34.980 29.120 -ATOM 2200 HN ALA A 165 69.289 -34.549 28.960 +ATOM 2200 H ALA A 165 69.289 -34.549 28.960 ATOM 2201 CA ALA A 165 67.221 -34.381 28.511 ATOM 2202 HA ALA A 165 66.329 -34.869 28.887 ATOM 2203 CB ALA A 165 67.102 -32.902 28.871 @@ -2209,7 +2209,7 @@ ATOM 2206 HB3 ALA A 165 67.988 -32.330 28.521 ATOM 2207 C ALA A 165 67.321 -34.565 27.003 ATOM 2208 O ALA A 165 68.257 -34.062 26.375 ATOM 2209 N THR A 166 66.364 -35.288 26.428 -ATOM 2210 HN THR A 166 65.610 -35.624 26.991 +ATOM 2210 H THR A 166 65.610 -35.624 26.991 ATOM 2211 CA THR A 166 66.375 -35.608 25.005 ATOM 2212 HA THR A 166 67.254 -35.165 24.551 ATOM 2213 CB THR A 166 66.455 -37.119 24.781 @@ -2223,7 +2223,7 @@ ATOM 2220 HG23 THR A 166 65.046 -37.134 23.120 ATOM 2221 C THR A 166 65.125 -35.036 24.355 ATOM 2222 O THR A 166 64.004 -35.374 24.753 ATOM 2223 N ILE A 167 65.319 -34.175 23.360 -ATOM 2224 HN ILE A 167 66.256 -33.908 23.138 +ATOM 2224 H ILE A 167 66.256 -33.908 23.138 ATOM 2225 CA ILE A 167 64.232 -33.602 22.578 ATOM 2226 HA ILE A 167 63.286 -33.801 23.068 ATOM 2227 CB ILE A 167 64.349 -32.072 22.474 @@ -2233,16 +2233,16 @@ ATOM 2230 HG21 ILE A 167 63.455 -30.425 21.368 ATOM 2231 HG22 ILE A 167 62.326 -31.783 21.726 ATOM 2232 HG23 ILE A 167 63.577 -31.966 20.442 ATOM 2233 CG1 ILE A 167 64.107 -31.424 23.841 -ATOM 2234 HG11 ILE A 167 63.033 -31.309 24.100 +ATOM 2234 HG13 ILE A 167 63.033 -31.309 24.100 ATOM 2235 HG12 ILE A 167 64.543 -31.991 24.691 ATOM 2236 CD1 ILE A 167 64.686 -30.031 23.970 -ATOM 2237 HD1 ILE A 167 64.511 -29.561 24.961 -ATOM 2238 HD2 ILE A 167 64.277 -29.304 23.236 -ATOM 2239 HD3 ILE A 167 65.787 -29.987 23.827 +ATOM 2237 HD11 ILE A 167 64.511 -29.561 24.961 +ATOM 2238 HD12 ILE A 167 64.277 -29.304 23.236 +ATOM 2239 HD13 ILE A 167 65.787 -29.987 23.827 ATOM 2240 C ILE A 167 64.260 -34.249 21.200 ATOM 2241 O ILE A 167 65.286 -34.211 20.510 ATOM 2242 N THR A 168 63.140 -34.847 20.802 -ATOM 2243 HN THR A 168 62.352 -34.841 21.415 +ATOM 2243 H THR A 168 62.352 -34.841 21.415 ATOM 2244 CA THR A 168 63.013 -35.510 19.510 ATOM 2245 HA THR A 168 63.936 -35.390 18.954 ATOM 2246 CB THR A 168 62.777 -37.012 19.681 @@ -2256,7 +2256,7 @@ ATOM 2253 HG23 THR A 168 62.107 -37.328 17.633 ATOM 2254 C THR A 168 61.864 -34.871 18.745 ATOM 2255 O THR A 168 60.738 -34.814 19.249 ATOM 2256 N ALA A 169 62.146 -34.400 17.531 -ATOM 2257 HN ALA A 169 63.067 -34.518 17.161 +ATOM 2257 H ALA A 169 63.067 -34.518 17.161 ATOM 2258 CA ALA A 169 61.139 -33.717 16.733 ATOM 2259 HA ALA A 169 60.166 -34.101 17.017 ATOM 2260 CB ALA A 169 61.142 -32.208 17.000 @@ -2266,11 +2266,11 @@ ATOM 2263 HB3 ALA A 169 62.126 -31.754 16.754 ATOM 2264 C ALA A 169 61.379 -33.990 15.256 ATOM 2265 O ALA A 169 62.503 -34.276 14.834 ATOM 2266 N ASN A 170 60.303 -33.889 14.473 -ATOM 2267 HN ASN A 170 59.430 -33.625 14.881 +ATOM 2267 H ASN A 170 59.430 -33.625 14.881 ATOM 2268 CA ASN A 170 60.363 -34.152 13.041 ATOM 2269 HA ASN A 170 61.022 -35.002 12.909 ATOM 2270 CB ASN A 170 58.964 -34.474 12.508 -ATOM 2271 HB1 ASN A 170 58.194 -33.754 12.860 +ATOM 2271 HB3 ASN A 170 58.194 -33.754 12.860 ATOM 2272 HB2 ASN A 170 58.913 -34.459 11.398 ATOM 2273 CG ASN A 170 58.476 -35.849 12.931 ATOM 2274 OD1 ASN A 170 59.268 -36.773 13.121 @@ -2280,22 +2280,22 @@ ATOM 2277 HD22 ASN A 170 56.521 -35.241 12.929 ATOM 2278 C ASN A 170 60.956 -32.997 12.247 ATOM 2279 O ASN A 170 61.200 -33.155 11.045 ATOM 2280 N SER A 171 61.194 -31.850 12.875 -ATOM 2281 HN SER A 171 60.971 -31.768 13.845 +ATOM 2281 H SER A 171 60.971 -31.768 13.845 ATOM 2282 CA SER A 171 61.772 -30.711 12.178 ATOM 2283 HA SER A 171 62.511 -31.063 11.467 ATOM 2284 CB SER A 171 60.714 -29.951 11.371 -ATOM 2285 HB1 SER A 171 61.187 -29.248 10.652 +ATOM 2285 HB3 SER A 171 61.187 -29.248 10.652 ATOM 2286 HB2 SER A 171 60.075 -30.650 10.791 ATOM 2287 OG SER A 171 59.869 -29.196 12.221 -ATOM 2288 HG1 SER A 171 59.202 -28.717 11.713 +ATOM 2288 HG SER A 171 59.202 -28.717 11.713 ATOM 2289 C SER A 171 62.439 -29.805 13.201 ATOM 2290 O SER A 171 62.324 -30.009 14.412 ATOM 2291 N PHE A 172 63.151 -28.798 12.690 -ATOM 2292 HN PHE A 172 63.250 -28.712 11.700 +ATOM 2292 H PHE A 172 63.250 -28.712 11.700 ATOM 2293 CA PHE A 172 63.785 -27.823 13.570 ATOM 2294 HA PHE A 172 64.421 -28.360 14.265 ATOM 2295 CB PHE A 172 64.644 -26.855 12.756 -ATOM 2296 HB1 PHE A 172 65.667 -27.234 12.549 +ATOM 2296 HB3 PHE A 172 65.667 -27.234 12.549 ATOM 2297 HB2 PHE A 172 64.219 -26.614 11.758 ATOM 2298 CG PHE A 172 64.850 -25.523 13.425 ATOM 2299 CD1 PHE A 172 65.808 -25.373 14.415 @@ -2311,11 +2311,11 @@ ATOM 2308 HE2 PHE A 172 63.646 -22.356 13.417 ATOM 2309 C PHE A 172 62.747 -27.055 14.376 ATOM 2310 O PHE A 172 62.985 -26.703 15.538 ATOM 2311 N PHE A 173 61.589 -26.779 13.772 -ATOM 2312 HN PHE A 173 61.413 -27.134 12.855 +ATOM 2312 H PHE A 173 61.413 -27.134 12.855 ATOM 2313 CA PHE A 173 60.577 -25.965 14.437 ATOM 2314 HA PHE A 173 61.051 -25.065 14.811 ATOM 2315 CB PHE A 173 59.492 -25.573 13.437 -ATOM 2316 HB1 PHE A 173 58.999 -26.444 12.955 +ATOM 2316 HB3 PHE A 173 58.999 -26.444 12.955 ATOM 2317 HB2 PHE A 173 58.665 -24.984 13.889 ATOM 2318 CG PHE A 173 60.000 -24.731 12.303 ATOM 2319 CD1 PHE A 173 60.675 -23.548 12.554 @@ -2331,21 +2331,21 @@ ATOM 2328 HE2 PHE A 173 60.135 -24.673 8.922 ATOM 2329 C PHE A 173 59.981 -26.688 15.637 ATOM 2330 O PHE A 173 59.803 -26.087 16.704 ATOM 2331 N GLY A 174 59.663 -27.974 15.487 -ATOM 2332 HN GLY A 174 59.701 -28.398 14.583 +ATOM 2332 H GLY A 174 59.701 -28.398 14.583 ATOM 2333 CA GLY A 174 59.261 -28.756 16.643 -ATOM 2334 HA1 GLY A 174 58.387 -28.312 17.166 +ATOM 2334 HA3 GLY A 174 58.387 -28.312 17.166 ATOM 2335 HA2 GLY A 174 58.974 -29.793 16.368 ATOM 2336 C GLY A 174 60.371 -28.870 17.670 ATOM 2337 O GLY A 174 60.117 -28.873 18.877 ATOM 2338 N MET A 175 61.620 -28.944 17.204 -ATOM 2339 HN MET A 175 61.783 -28.895 16.220 +ATOM 2339 H MET A 175 61.783 -28.895 16.220 ATOM 2340 CA MET A 175 62.750 -29.095 18.114 ATOM 2341 HA MET A 175 62.535 -29.924 18.779 ATOM 2342 CB MET A 175 64.024 -29.403 17.324 -ATOM 2343 HB1 MET A 175 63.974 -30.340 16.729 +ATOM 2343 HB3 MET A 175 63.974 -30.340 16.729 ATOM 2344 HB2 MET A 175 64.301 -28.620 16.586 ATOM 2345 CG MET A 175 65.266 -29.568 18.187 -ATOM 2346 HG1 MET A 175 65.257 -28.921 19.090 +ATOM 2346 HG3 MET A 175 65.257 -28.921 19.090 ATOM 2347 HG2 MET A 175 65.401 -30.605 18.562 ATOM 2348 SD MET A 175 66.791 -29.164 17.314 ATOM 2349 CE MET A 175 66.834 -27.387 17.536 @@ -2355,17 +2355,17 @@ ATOM 2352 HE3 MET A 175 66.863 -27.151 18.621 ATOM 2353 C MET A 175 62.946 -27.853 18.975 ATOM 2354 O MET A 175 63.256 -27.963 20.167 ATOM 2355 N ARG A 176 62.778 -26.661 18.396 -ATOM 2356 HN ARG A 176 62.510 -26.600 17.435 +ATOM 2356 H ARG A 176 62.510 -26.600 17.435 ATOM 2357 CA ARG A 176 62.989 -25.450 19.179 ATOM 2358 HA ARG A 176 63.827 -25.619 19.845 ATOM 2359 CB ARG A 176 63.341 -24.278 18.258 -ATOM 2360 HB1 ARG A 176 64.005 -23.500 18.693 +ATOM 2360 HB3 ARG A 176 64.005 -23.500 18.693 ATOM 2361 HB2 ARG A 176 63.870 -24.541 17.317 ATOM 2362 CG ARG A 176 62.179 -23.463 17.755 -ATOM 2363 HG1 ARG A 176 62.099 -23.537 16.649 +ATOM 2363 HG3 ARG A 176 62.099 -23.537 16.649 ATOM 2364 HG2 ARG A 176 61.227 -23.824 18.199 ATOM 2365 CD ARG A 176 62.353 -22.000 18.124 -ATOM 2366 HD1 ARG A 176 61.891 -21.334 17.365 +ATOM 2366 HD3 ARG A 176 61.891 -21.334 17.365 ATOM 2367 HD2 ARG A 176 63.427 -21.727 18.199 ATOM 2368 NE ARG A 176 61.732 -21.699 19.409 ATOM 2369 HE ARG A 176 62.331 -21.498 20.183 @@ -2378,36 +2378,36 @@ ATOM 2375 HH21 ARG A 176 58.593 -21.898 18.777 ATOM 2376 HH22 ARG A 176 59.936 -22.123 17.711 ATOM 2377 C ARG A 176 61.787 -25.133 20.064 ATOM 2378 O ARG A 176 61.947 -24.473 21.098 -ATOM 2379 N HSE A 177 60.590 -25.601 19.692 -ATOM 2380 HN HSE A 177 60.453 -25.934 18.760 -ATOM 2381 CA HSE A 177 59.483 -25.627 20.645 -ATOM 2382 HA HSE A 177 59.287 -24.606 20.954 -ATOM 2383 CB HSE A 177 58.222 -26.203 19.995 -ATOM 2384 HB1 HSE A 177 58.386 -27.143 19.426 -ATOM 2385 HB2 HSE A 177 57.412 -26.458 20.711 -ATOM 2386 ND1 HSE A 177 57.526 -23.922 19.159 -ATOM 2387 CG HSE A 177 57.562 -25.291 19.008 -ATOM 2388 CE1 HSE A 177 56.870 -23.386 18.145 -ATOM 2389 HE1 HSE A 177 56.689 -22.328 17.995 -ATOM 2390 NE2 HSE A 177 56.473 -24.359 17.345 -ATOM 2391 HE2 HSE A 177 55.954 -24.240 16.500 -ATOM 2392 CD2 HSE A 177 56.889 -25.561 17.864 -ATOM 2393 HD2 HSE A 177 56.712 -26.542 17.438 -ATOM 2394 C HSE A 177 59.847 -26.457 21.869 -ATOM 2395 O HSE A 177 59.567 -26.060 23.007 +ATOM 2379 N HIE A 177 60.590 -25.601 19.692 +ATOM 2380 H HIE A 177 60.453 -25.934 18.760 +ATOM 2381 CA HIE A 177 59.483 -25.627 20.645 +ATOM 2382 HA HIE A 177 59.287 -24.606 20.954 +ATOM 2383 CB HIE A 177 58.222 -26.203 19.995 +ATOM 2384 HB3 HIE A 177 58.386 -27.143 19.426 +ATOM 2385 HB2 HIE A 177 57.412 -26.458 20.711 +ATOM 2386 ND1 HIE A 177 57.526 -23.922 19.159 +ATOM 2387 CG HIE A 177 57.562 -25.291 19.008 +ATOM 2388 CE1 HIE A 177 56.870 -23.386 18.145 +ATOM 2389 HE1 HIE A 177 56.689 -22.328 17.995 +ATOM 2390 NE2 HIE A 177 56.473 -24.359 17.345 +ATOM 2391 HE2 HIE A 177 55.954 -24.240 16.500 +ATOM 2392 CD2 HIE A 177 56.889 -25.561 17.864 +ATOM 2393 HD2 HIE A 177 56.712 -26.542 17.438 +ATOM 2394 C HIE A 177 59.847 -26.457 21.869 +ATOM 2395 O HIE A 177 59.567 -26.060 23.007 ATOM 2396 N GLY A 178 60.466 -27.619 21.651 -ATOM 2397 HN GLY A 178 60.693 -27.893 20.718 +ATOM 2397 H GLY A 178 60.693 -27.893 20.718 ATOM 2398 CA GLY A 178 60.811 -28.487 22.764 -ATOM 2399 HA1 GLY A 178 59.943 -28.711 23.420 +ATOM 2399 HA3 GLY A 178 59.943 -28.711 23.420 ATOM 2400 HA2 GLY A 178 61.208 -29.471 22.435 ATOM 2401 C GLY A 178 61.873 -27.890 23.667 ATOM 2402 O GLY A 178 61.850 -28.094 24.884 ATOM 2403 N LEU A 179 62.827 -27.158 23.084 -ATOM 2404 HN LEU A 179 62.881 -27.115 22.087 +ATOM 2404 H LEU A 179 62.881 -27.115 22.087 ATOM 2405 CA LEU A 179 63.790 -26.422 23.895 ATOM 2406 HA LEU A 179 64.294 -27.123 24.550 ATOM 2407 CB LEU A 179 64.831 -25.752 22.998 -ATOM 2408 HB1 LEU A 179 64.479 -25.348 22.025 +ATOM 2408 HB3 LEU A 179 64.479 -25.348 22.025 ATOM 2409 HB2 LEU A 179 65.362 -24.867 23.409 ATOM 2410 CG LEU A 179 66.015 -26.607 22.540 ATOM 2411 HG LEU A 179 65.625 -27.538 22.144 @@ -2422,14 +2422,14 @@ ATOM 2419 HD23 LEU A 179 67.331 -26.008 24.171 ATOM 2420 C LEU A 179 63.087 -25.386 24.762 ATOM 2421 O LEU A 179 63.494 -25.136 25.902 ATOM 2422 N GLU A 180 62.027 -24.774 24.232 -ATOM 2423 HN GLU A 180 61.762 -24.974 23.290 +ATOM 2423 H GLU A 180 61.762 -24.974 23.290 ATOM 2424 CA GLU A 180 61.250 -23.816 25.010 ATOM 2425 HA GLU A 180 61.921 -23.060 25.401 ATOM 2426 CB GLU A 180 60.213 -23.141 24.111 -ATOM 2427 HB1 GLU A 180 60.567 -22.936 23.078 +ATOM 2427 HB3 GLU A 180 60.567 -22.936 23.078 ATOM 2428 HB2 GLU A 180 59.280 -23.728 23.968 ATOM 2429 CG GLU A 180 59.734 -21.798 24.613 -ATOM 2430 HG1 GLU A 180 58.903 -21.390 23.999 +ATOM 2430 HG3 GLU A 180 58.903 -21.390 23.999 ATOM 2431 HG2 GLU A 180 59.359 -21.847 25.658 ATOM 2432 CD GLU A 180 60.830 -20.754 24.599 ATOM 2433 OE1 GLU A 180 61.168 -20.231 25.682 @@ -2437,7 +2437,7 @@ ATOM 2434 OE2 GLU A 180 61.360 -20.461 23.506 ATOM 2435 C GLU A 180 60.579 -24.493 26.201 ATOM 2436 O GLU A 180 60.664 -24.007 27.335 ATOM 2437 N THR A 181 59.909 -25.626 25.960 -ATOM 2438 HN THR A 181 59.845 -25.973 25.026 +ATOM 2438 H THR A 181 59.845 -25.973 25.026 ATOM 2439 CA THR A 181 59.270 -26.360 27.049 ATOM 2440 HA THR A 181 58.578 -25.688 27.543 ATOM 2441 CB THR A 181 58.492 -27.558 26.499 @@ -2451,11 +2451,11 @@ ATOM 2448 HG23 THR A 181 58.428 -28.629 28.399 ATOM 2449 C THR A 181 60.294 -26.822 28.080 ATOM 2450 O THR A 181 60.055 -26.722 29.289 ATOM 2451 N LEU A 182 61.446 -27.319 27.619 -ATOM 2452 HN LEU A 182 61.606 -27.361 26.634 +ATOM 2452 H LEU A 182 61.606 -27.361 26.634 ATOM 2453 CA LEU A 182 62.474 -27.801 28.537 ATOM 2454 HA LEU A 182 62.041 -28.594 29.136 ATOM 2455 CB LEU A 182 63.663 -28.356 27.751 -ATOM 2456 HB1 LEU A 182 63.454 -29.230 27.098 +ATOM 2456 HB3 LEU A 182 63.454 -29.230 27.098 ATOM 2457 HB2 LEU A 182 64.155 -27.653 27.045 ATOM 2458 CG LEU A 182 64.848 -28.855 28.582 ATOM 2459 HG LEU A 182 65.242 -28.020 29.150 @@ -2470,25 +2470,25 @@ ATOM 2467 HD23 LEU A 182 65.582 -30.225 27.059 ATOM 2468 C LEU A 182 62.935 -26.702 29.484 ATOM 2469 O LEU A 182 63.094 -26.936 30.688 ATOM 2470 N SER A 183 63.153 -25.494 28.957 -ATOM 2471 HN SER A 183 62.999 -25.346 27.981 +ATOM 2471 H SER A 183 62.999 -25.346 27.981 ATOM 2472 CA SER A 183 63.614 -24.389 29.790 ATOM 2473 HA SER A 183 64.526 -24.705 30.284 ATOM 2474 CB SER A 183 63.911 -23.164 28.923 -ATOM 2475 HB1 SER A 183 64.475 -22.393 29.490 +ATOM 2475 HB3 SER A 183 64.475 -22.393 29.490 ATOM 2476 HB2 SER A 183 64.518 -23.435 28.033 ATOM 2477 OG SER A 183 62.718 -22.560 28.456 -ATOM 2478 HG1 SER A 183 62.905 -21.787 27.909 +ATOM 2478 HG SER A 183 62.905 -21.787 27.909 ATOM 2479 C SER A 183 62.602 -24.040 30.875 ATOM 2480 O SER A 183 62.984 -23.526 31.933 ATOM 2481 N GLN A 184 61.319 -24.316 30.642 -ATOM 2482 HN GLN A 184 61.057 -24.702 29.759 +ATOM 2482 H GLN A 184 61.057 -24.702 29.759 ATOM 2483 CA GLN A 184 60.288 -24.069 31.643 ATOM 2484 HA GLN A 184 60.534 -23.120 32.107 ATOM 2485 CB GLN A 184 58.910 -23.994 30.979 -ATOM 2486 HB1 GLN A 184 58.625 -24.907 30.414 +ATOM 2486 HB3 GLN A 184 58.625 -24.907 30.414 ATOM 2487 HB2 GLN A 184 58.069 -23.837 31.688 ATOM 2488 CG GLN A 184 58.763 -22.868 29.969 -ATOM 2489 HG1 GLN A 184 59.059 -21.881 30.385 +ATOM 2489 HG3 GLN A 184 59.059 -21.881 30.385 ATOM 2490 HG2 GLN A 184 59.388 -23.023 29.064 ATOM 2491 CD GLN A 184 57.337 -22.710 29.477 ATOM 2492 OE1 GLN A 184 56.494 -23.580 29.691 @@ -2498,11 +2498,11 @@ ATOM 2495 HE22 GLN A 184 57.746 -20.887 28.638 ATOM 2496 C GLN A 184 60.262 -25.120 32.747 ATOM 2497 O GLN A 184 59.480 -24.980 33.693 ATOM 2498 N LEU A 185 61.085 -26.162 32.649 -ATOM 2499 HN LEU A 185 61.672 -26.235 31.844 +ATOM 2499 H LEU A 185 61.672 -26.235 31.844 ATOM 2500 CA LEU A 185 61.163 -27.199 33.668 ATOM 2501 HA LEU A 185 60.216 -27.203 34.195 ATOM 2502 CB LEU A 185 61.387 -28.564 33.016 -ATOM 2503 HB1 LEU A 185 62.269 -28.605 32.342 +ATOM 2503 HB3 LEU A 185 62.269 -28.605 32.342 ATOM 2504 HB2 LEU A 185 61.551 -29.390 33.740 ATOM 2505 CG LEU A 185 60.220 -29.040 32.149 ATOM 2506 HG LEU A 185 60.045 -28.295 31.382 @@ -2517,11 +2517,11 @@ ATOM 2514 HD23 LEU A 185 59.096 -29.904 33.805 ATOM 2515 C LEU A 185 62.246 -26.919 34.701 ATOM 2516 O LEU A 185 62.598 -27.814 35.476 ATOM 2517 N PHE A 186 62.783 -25.705 34.722 -ATOM 2518 HN PHE A 186 62.539 -25.062 33.998 +ATOM 2518 H PHE A 186 62.539 -25.062 33.998 ATOM 2519 CA PHE A 186 63.711 -25.271 35.754 ATOM 2520 HA PHE A 186 64.070 -26.149 36.279 ATOM 2521 CB PHE A 186 64.922 -24.553 35.149 -ATOM 2522 HB1 PHE A 186 64.659 -23.701 34.486 +ATOM 2522 HB3 PHE A 186 64.659 -23.701 34.486 ATOM 2523 HB2 PHE A 186 65.613 -24.117 35.902 ATOM 2524 CG PHE A 186 65.797 -25.434 34.300 ATOM 2525 CD1 PHE A 186 65.395 -25.814 33.030 @@ -2537,7 +2537,7 @@ ATOM 2534 HE2 PHE A 186 68.798 -27.010 34.361 ATOM 2535 C PHE A 186 62.994 -24.343 36.726 ATOM 2536 O PHE A 186 62.096 -23.589 36.344 ATOM 2537 N VAL A 187 63.389 -24.417 37.993 -ATOM 2538 HN VAL A 187 64.083 -25.091 38.242 +ATOM 2538 H VAL A 187 64.083 -25.091 38.242 ATOM 2539 CA VAL A 187 62.847 -23.550 39.032 ATOM 2540 HA VAL A 187 62.376 -22.695 38.561 ATOM 2541 CB VAL A 187 61.756 -24.254 39.865 @@ -2553,11 +2553,11 @@ ATOM 2550 HG23 VAL A 187 63.123 -25.652 40.821 ATOM 2551 C VAL A 187 63.989 -23.100 39.927 ATOM 2552 O VAL A 187 64.913 -23.871 40.207 ATOM 2553 N PHE A 188 63.927 -21.850 40.373 -ATOM 2554 HN PHE A 188 63.193 -21.257 40.046 +ATOM 2554 H PHE A 188 63.193 -21.257 40.046 ATOM 2555 CA PHE A 188 64.893 -21.317 41.321 ATOM 2556 HA PHE A 188 65.805 -21.899 41.250 ATOM 2557 CB PHE A 188 65.256 -19.868 41.002 -ATOM 2558 HB1 PHE A 188 65.587 -19.716 39.952 +ATOM 2558 HB3 PHE A 188 65.587 -19.716 39.952 ATOM 2559 HB2 PHE A 188 64.413 -19.159 41.147 ATOM 2560 CG PHE A 188 66.374 -19.331 41.850 ATOM 2561 CD1 PHE A 188 67.653 -19.851 41.736 @@ -2573,11 +2573,11 @@ ATOM 2570 HE2 PHE A 188 66.986 -17.035 44.264 ATOM 2571 C PHE A 188 64.318 -21.423 42.728 ATOM 2572 O PHE A 188 63.239 -20.889 43.008 ATOM 2573 N ASP A 189 65.034 -22.130 43.598 -ATOM 2574 HN ASP A 189 65.821 -22.645 43.261 +ATOM 2574 H ASP A 189 65.821 -22.645 43.261 ATOM 2575 CA ASP A 189 64.722 -22.187 45.022 ATOM 2576 HA ASP A 189 63.653 -22.175 45.199 ATOM 2577 CB ASP A 189 65.241 -23.492 45.625 -ATOM 2578 HB1 ASP A 189 64.836 -24.399 45.128 +ATOM 2578 HB3 ASP A 189 64.836 -24.399 45.128 ATOM 2579 HB2 ASP A 189 66.346 -23.595 45.569 ATOM 2580 CG ASP A 189 64.896 -23.656 47.104 ATOM 2581 OD1 ASP A 189 64.898 -22.655 47.852 @@ -2585,11 +2585,11 @@ ATOM 2582 OD2 ASP A 189 64.634 -24.805 47.522 ATOM 2583 C ASP A 189 65.364 -20.963 45.662 ATOM 2584 O ASP A 189 66.570 -20.942 45.912 ATOM 2585 N ASP A 190 64.566 -19.928 45.926 -ATOM 2586 HN ASP A 190 63.592 -19.976 45.708 +ATOM 2586 H ASP A 190 63.592 -19.976 45.708 ATOM 2587 CA ASP A 190 65.122 -18.725 46.534 ATOM 2588 HA ASP A 190 66.121 -18.609 46.130 ATOM 2589 CB ASP A 190 64.281 -17.498 46.171 -ATOM 2590 HB1 ASP A 190 64.610 -16.577 46.698 +ATOM 2590 HB3 ASP A 190 64.610 -16.577 46.698 ATOM 2591 HB2 ASP A 190 64.315 -17.256 45.087 ATOM 2592 CG ASP A 190 62.816 -17.667 46.510 ATOM 2593 OD1 ASP A 190 62.366 -18.818 46.686 @@ -2597,7 +2597,7 @@ ATOM 2594 OD2 ASP A 190 62.112 -16.639 46.592 ATOM 2595 C ASP A 190 65.260 -18.837 48.046 ATOM 2596 O ASP A 190 65.862 -17.950 48.661 ATOM 2597 N ILE A 191 64.723 -19.896 48.657 -ATOM 2598 HN ILE A 191 64.111 -20.504 48.154 +ATOM 2598 H ILE A 191 64.111 -20.504 48.154 ATOM 2599 CA ILE A 191 65.028 -20.167 50.058 ATOM 2600 HA ILE A 191 64.884 -19.259 50.633 ATOM 2601 CB ILE A 191 64.070 -21.234 50.620 @@ -2607,26 +2607,26 @@ ATOM 2604 HG21 ILE A 191 63.761 -22.372 52.455 ATOM 2605 HG22 ILE A 191 64.405 -20.710 52.711 ATOM 2606 HG23 ILE A 191 65.485 -22.008 52.088 ATOM 2607 CG1 ILE A 191 62.618 -20.755 50.553 -ATOM 2608 HG11 ILE A 191 62.428 -19.823 51.127 +ATOM 2608 HG13 ILE A 191 62.428 -19.823 51.127 ATOM 2609 HG12 ILE A 191 62.268 -20.532 49.522 ATOM 2610 CD1 ILE A 191 61.616 -21.761 51.097 -ATOM 2611 HD1 ILE A 191 60.562 -21.413 51.048 -ATOM 2612 HD2 ILE A 191 61.781 -22.024 52.164 -ATOM 2613 HD3 ILE A 191 61.621 -22.733 50.559 +ATOM 2611 HD11 ILE A 191 60.562 -21.413 51.048 +ATOM 2612 HD12 ILE A 191 61.781 -22.024 52.164 +ATOM 2613 HD13 ILE A 191 61.621 -22.733 50.559 ATOM 2614 C ILE A 191 66.483 -20.592 50.207 ATOM 2615 O ILE A 191 67.181 -20.163 51.133 ATOM 2616 N ARG A 192 66.970 -21.425 49.286 -ATOM 2617 HN ARG A 192 66.399 -21.660 48.501 +ATOM 2617 H ARG A 192 66.399 -21.660 48.501 ATOM 2618 CA ARG A 192 68.301 -22.004 49.381 ATOM 2619 HA ARG A 192 68.691 -21.693 50.343 ATOM 2620 CB ARG A 192 68.217 -23.535 49.287 -ATOM 2621 HB1 ARG A 192 67.484 -23.908 48.540 +ATOM 2621 HB3 ARG A 192 67.484 -23.908 48.540 ATOM 2622 HB2 ARG A 192 69.171 -24.029 49.003 ATOM 2623 CG ARG A 192 67.813 -24.219 50.580 -ATOM 2624 HG1 ARG A 192 68.658 -24.267 51.299 +ATOM 2624 HG3 ARG A 192 68.658 -24.267 51.299 ATOM 2625 HG2 ARG A 192 66.982 -23.682 51.085 ATOM 2626 CD ARG A 192 67.346 -25.647 50.337 -ATOM 2627 HD1 ARG A 192 67.458 -26.274 51.247 +ATOM 2627 HD3 ARG A 192 67.458 -26.274 51.247 ATOM 2628 HD2 ARG A 192 67.928 -26.135 49.526 ATOM 2629 NE ARG A 192 65.942 -25.693 49.950 ATOM 2630 HE ARG A 192 65.693 -25.332 49.052 @@ -2640,40 +2640,40 @@ ATOM 2637 HH22 ARG A 192 63.514 -25.808 49.373 ATOM 2638 C ARG A 192 69.270 -21.498 48.323 ATOM 2639 O ARG A 192 70.459 -21.827 48.396 ATOM 2640 N ASP A 193 68.799 -20.712 47.352 -ATOM 2641 HN ASP A 193 67.845 -20.420 47.397 +ATOM 2641 H ASP A 193 67.845 -20.420 47.397 ATOM 2642 CA ASP A 193 69.615 -20.258 46.223 ATOM 2643 HA ASP A 193 68.982 -19.653 45.584 ATOM 2644 CB ASP A 193 70.776 -19.374 46.688 -ATOM 2645 HB1 ASP A 193 71.309 -19.796 47.567 +ATOM 2645 HB3 ASP A 193 71.309 -19.796 47.567 ATOM 2646 HB2 ASP A 193 71.546 -19.230 45.900 ATOM 2647 CG ASP A 193 70.325 -17.986 47.095 ATOM 2648 OD1 ASP A 193 69.227 -17.571 46.672 ATOM 2649 OD2 ASP A 193 71.072 -17.310 47.831 ATOM 2650 C ASP A 193 70.121 -21.445 45.403 ATOM 2651 O ASP A 193 71.295 -21.529 45.040 -ATOM 2652 N HSD A 194 69.212 -22.369 45.106 -ATOM 2653 HN HSD A 194 68.281 -22.250 45.449 -ATOM 2654 CA HSD A 194 69.512 -23.546 44.304 -ATOM 2655 HA HSD A 194 70.574 -23.548 44.089 -ATOM 2656 CB HSD A 194 69.180 -24.840 45.059 -ATOM 2657 HB1 HSD A 194 68.154 -24.869 45.484 -ATOM 2658 HB2 HSD A 194 69.247 -25.759 44.439 -ATOM 2659 ND1 HSD A 194 69.810 -26.108 47.145 -ATOM 2660 HD1 HSD A 194 69.022 -26.721 47.121 -ATOM 2661 CG HSD A 194 70.073 -25.115 46.228 -ATOM 2662 CE1 HSD A 194 70.761 -26.124 48.061 -ATOM 2663 HE1 HSD A 194 70.816 -26.800 48.907 -ATOM 2664 NE2 HSD A 194 71.634 -25.177 47.772 -ATOM 2665 CD2 HSD A 194 71.228 -24.532 46.629 -ATOM 2666 HD2 HSD A 194 71.737 -23.710 46.139 -ATOM 2667 C HSD A 194 68.716 -23.491 43.010 -ATOM 2668 O HSD A 194 67.511 -23.221 43.031 +ATOM 2652 N HID A 194 69.212 -22.369 45.106 +ATOM 2653 H HID A 194 68.281 -22.250 45.449 +ATOM 2654 CA HID A 194 69.512 -23.546 44.304 +ATOM 2655 HA HID A 194 70.574 -23.548 44.089 +ATOM 2656 CB HID A 194 69.180 -24.840 45.059 +ATOM 2657 HB3 HID A 194 68.154 -24.869 45.484 +ATOM 2658 HB2 HID A 194 69.247 -25.759 44.439 +ATOM 2659 ND1 HID A 194 69.810 -26.108 47.145 +ATOM 2660 HD1 HID A 194 69.022 -26.721 47.121 +ATOM 2661 CG HID A 194 70.073 -25.115 46.228 +ATOM 2662 CE1 HID A 194 70.761 -26.124 48.061 +ATOM 2663 HE1 HID A 194 70.816 -26.800 48.907 +ATOM 2664 NE2 HID A 194 71.634 -25.177 47.772 +ATOM 2665 CD2 HID A 194 71.228 -24.532 46.629 +ATOM 2666 HD2 HID A 194 71.737 -23.710 46.139 +ATOM 2667 C HID A 194 68.716 -23.491 43.010 +ATOM 2668 O HID A 194 67.511 -23.221 43.031 ATOM 2669 N LEU A 195 69.387 -23.749 41.891 -ATOM 2670 HN LEU A 195 70.384 -23.799 41.918 +ATOM 2670 H LEU A 195 70.384 -23.799 41.918 ATOM 2671 CA LEU A 195 68.696 -23.960 40.628 ATOM 2672 HA LEU A 195 67.823 -23.318 40.587 ATOM 2673 CB LEU A 195 69.594 -23.594 39.447 -ATOM 2674 HB1 LEU A 195 69.952 -22.542 39.435 +ATOM 2674 HB3 LEU A 195 69.952 -22.542 39.435 ATOM 2675 HB2 LEU A 195 70.532 -24.184 39.367 ATOM 2676 CG LEU A 195 68.954 -23.763 38.066 ATOM 2677 HG LEU A 195 68.672 -24.804 37.954 @@ -2688,11 +2688,11 @@ ATOM 2685 HD23 LEU A 195 70.296 -22.378 37.034 ATOM 2686 C LEU A 195 68.264 -25.417 40.539 ATOM 2687 O LEU A 195 69.082 -26.326 40.704 ATOM 2688 N LEU A 196 66.977 -25.639 40.294 -ATOM 2689 HN LEU A 196 66.381 -24.860 40.103 +ATOM 2689 H LEU A 196 66.381 -24.860 40.103 ATOM 2690 CA LEU A 196 66.407 -26.976 40.294 ATOM 2691 HA LEU A 196 67.207 -27.678 40.502 ATOM 2692 CB LEU A 196 65.339 -27.123 41.386 -ATOM 2693 HB1 LEU A 196 64.388 -26.569 41.233 +ATOM 2693 HB3 LEU A 196 64.388 -26.569 41.233 ATOM 2694 HB2 LEU A 196 64.963 -28.150 41.583 ATOM 2695 CG LEU A 196 65.728 -26.670 42.795 ATOM 2696 HG LEU A 196 66.008 -25.624 42.745 @@ -2707,14 +2707,14 @@ ATOM 2704 HD23 LEU A 196 66.681 -28.548 43.338 ATOM 2705 C LEU A 196 65.803 -27.294 38.934 ATOM 2706 O LEU A 196 65.507 -26.402 38.134 ATOM 2707 N MET A 197 65.623 -28.588 38.681 -ATOM 2708 HN MET A 197 65.924 -29.258 39.358 +ATOM 2708 H MET A 197 65.924 -29.258 39.358 ATOM 2709 CA MET A 197 65.004 -29.060 37.453 ATOM 2710 HA MET A 197 64.392 -28.255 37.062 ATOM 2711 CB MET A 197 66.043 -29.417 36.383 -ATOM 2712 HB1 MET A 197 66.833 -28.645 36.259 +ATOM 2712 HB3 MET A 197 66.833 -28.645 36.259 ATOM 2713 HB2 MET A 197 66.588 -30.362 36.594 ATOM 2714 CG MET A 197 65.444 -29.603 34.995 -ATOM 2715 HG1 MET A 197 64.447 -30.093 34.994 +ATOM 2715 HG3 MET A 197 64.447 -30.093 34.994 ATOM 2716 HG2 MET A 197 65.289 -28.654 34.438 ATOM 2717 SD MET A 197 66.446 -30.616 33.893 ATOM 2718 CE MET A 197 68.083 -30.143 34.404 @@ -2724,7 +2724,7 @@ ATOM 2721 HE3 MET A 197 68.219 -30.386 35.480 ATOM 2722 C MET A 197 64.148 -30.278 37.754 ATOM 2723 O MET A 197 64.495 -31.095 38.612 ATOM 2724 N VAL A 198 63.025 -30.388 37.041 -ATOM 2725 HN VAL A 198 62.772 -29.660 36.405 +ATOM 2725 H VAL A 198 62.772 -29.660 36.405 ATOM 2726 CA VAL A 198 62.164 -31.554 37.177 ATOM 2727 HA VAL A 198 61.827 -31.648 38.203 ATOM 2728 CB VAL A 198 60.916 -31.396 36.299 @@ -2740,17 +2740,17 @@ ATOM 2737 HG23 VAL A 198 60.900 -29.222 36.400 ATOM 2738 C VAL A 198 62.954 -32.804 36.816 ATOM 2739 O VAL A 198 63.625 -32.860 35.777 ATOM 2740 N ARG A 199 62.876 -33.819 37.680 -ATOM 2741 HN ARG A 199 62.193 -33.796 38.408 +ATOM 2741 H ARG A 199 62.193 -33.796 38.408 ATOM 2742 CA ARG A 199 63.778 -34.961 37.572 ATOM 2743 HA ARG A 199 64.747 -34.579 37.273 ATOM 2744 CB ARG A 199 63.896 -35.663 38.925 -ATOM 2745 HB1 ARG A 199 64.030 -34.963 39.777 +ATOM 2745 HB3 ARG A 199 64.030 -34.963 39.777 ATOM 2746 HB2 ARG A 199 63.005 -36.272 39.187 ATOM 2747 CG ARG A 199 65.071 -36.621 39.009 -ATOM 2748 HG1 ARG A 199 64.973 -37.449 38.275 +ATOM 2748 HG3 ARG A 199 64.973 -37.449 38.275 ATOM 2749 HG2 ARG A 199 66.032 -36.104 38.801 ATOM 2750 CD ARG A 199 65.179 -37.245 40.386 -ATOM 2751 HD1 ARG A 199 65.028 -36.489 41.186 +ATOM 2751 HD3 ARG A 199 65.028 -36.489 41.186 ATOM 2752 HD2 ARG A 199 66.178 -37.705 40.545 ATOM 2753 NE ARG A 199 64.179 -38.290 40.576 ATOM 2754 HE ARG A 199 63.658 -38.588 39.777 @@ -2764,11 +2764,11 @@ ATOM 2761 HH22 ARG A 199 62.485 -40.085 40.992 ATOM 2762 C ARG A 199 63.339 -35.953 36.499 ATOM 2763 O ARG A 199 64.178 -36.464 35.749 ATOM 2764 N ASP A 200 62.042 -36.246 36.410 -ATOM 2765 HN ASP A 200 61.394 -35.733 36.971 +ATOM 2765 H ASP A 200 61.394 -35.733 36.971 ATOM 2766 CA ASP A 200 61.532 -37.289 35.523 ATOM 2767 HA ASP A 200 62.323 -37.614 34.857 ATOM 2768 CB ASP A 200 61.081 -38.512 36.325 -ATOM 2769 HB1 ASP A 200 60.213 -38.292 36.983 +ATOM 2769 HB3 ASP A 200 60.213 -38.292 36.983 ATOM 2770 HB2 ASP A 200 60.772 -39.357 35.673 ATOM 2771 CG ASP A 200 62.177 -39.050 37.230 ATOM 2772 OD1 ASP A 200 63.160 -39.617 36.709 @@ -2776,7 +2776,7 @@ ATOM 2773 OD2 ASP A 200 62.061 -38.892 38.464 ATOM 2774 C ASP A 200 60.385 -36.722 34.697 ATOM 2775 O ASP A 200 59.299 -36.467 35.229 ATOM 2776 N VAL A 201 60.621 -36.545 33.397 -ATOM 2777 HN VAL A 201 61.484 -36.880 33.021 +ATOM 2777 H VAL A 201 61.484 -36.880 33.021 ATOM 2778 CA VAL A 201 59.681 -35.886 32.497 ATOM 2779 HA VAL A 201 58.754 -35.719 33.034 ATOM 2780 CB VAL A 201 60.201 -34.512 32.034 @@ -2792,11 +2792,11 @@ ATOM 2789 HG23 VAL A 201 61.186 -34.024 33.915 ATOM 2790 C VAL A 201 59.438 -36.782 31.290 ATOM 2791 O VAL A 201 60.389 -37.308 30.701 ATOM 2792 N ASN A 202 58.169 -36.943 30.918 -ATOM 2793 HN ASN A 202 57.450 -36.615 31.529 +ATOM 2793 H ASN A 202 57.450 -36.615 31.529 ATOM 2794 CA ASN A 202 57.775 -37.576 29.660 ATOM 2795 HA ASN A 202 58.633 -37.674 29.005 ATOM 2796 CB ASN A 202 57.256 -38.993 29.878 -ATOM 2797 HB1 ASN A 202 58.047 -39.686 30.238 +ATOM 2797 HB3 ASN A 202 58.047 -39.686 30.238 ATOM 2798 HB2 ASN A 202 56.439 -39.036 30.630 ATOM 2799 CG ASN A 202 56.697 -39.610 28.608 ATOM 2800 OD1 ASN A 202 57.312 -39.534 27.545 @@ -2806,7 +2806,7 @@ ATOM 2803 HD22 ASN A 202 55.026 -40.286 29.576 ATOM 2804 C ASN A 202 56.714 -36.685 29.021 ATOM 2805 O ASN A 202 55.561 -36.672 29.460 ATOM 2806 N ILE A 203 57.104 -35.942 27.986 -ATOM 2807 HN ILE A 203 58.041 -36.040 27.652 +ATOM 2807 H ILE A 203 58.041 -36.040 27.652 ATOM 2808 CA ILE A 203 56.220 -34.992 27.320 ATOM 2809 HA ILE A 203 55.224 -35.104 27.732 ATOM 2810 CB ILE A 203 56.653 -33.533 27.568 @@ -2816,31 +2816,31 @@ ATOM 2813 HG21 ILE A 203 56.276 -31.547 26.765 ATOM 2814 HG22 ILE A 203 54.860 -32.660 26.698 ATOM 2815 HG23 ILE A 203 56.226 -32.869 25.541 ATOM 2816 CG1 ILE A 203 56.349 -33.107 29.006 -ATOM 2817 HG11 ILE A 203 55.265 -33.096 29.248 +ATOM 2817 HG13 ILE A 203 55.265 -33.096 29.248 ATOM 2818 HG12 ILE A 203 56.808 -33.767 29.773 ATOM 2819 CD1 ILE A 203 56.842 -31.707 29.345 -ATOM 2820 HD1 ILE A 203 56.621 -31.398 30.389 -ATOM 2821 HD2 ILE A 203 56.397 -30.912 28.709 -ATOM 2822 HD3 ILE A 203 57.940 -31.583 29.234 +ATOM 2820 HD11 ILE A 203 56.621 -31.398 30.389 +ATOM 2821 HD12 ILE A 203 56.397 -30.912 28.709 +ATOM 2822 HD13 ILE A 203 57.940 -31.583 29.234 ATOM 2823 C ILE A 203 56.205 -35.290 25.828 ATOM 2824 O ILE A 203 57.264 -35.436 25.207 ATOM 2825 N SER A 204 55.004 -35.391 25.260 -ATOM 2826 HN SER A 204 54.207 -35.486 25.854 +ATOM 2826 H SER A 204 54.207 -35.486 25.854 ATOM 2827 CA SER A 204 54.791 -35.370 23.818 ATOM 2828 HA SER A 204 55.731 -35.171 23.316 ATOM 2829 CB SER A 204 54.300 -36.724 23.292 -ATOM 2830 HB1 SER A 204 54.244 -36.727 22.182 +ATOM 2830 HB3 SER A 204 54.244 -36.727 22.182 ATOM 2831 HB2 SER A 204 54.983 -37.545 23.599 ATOM 2832 OG SER A 204 53.010 -37.028 23.789 -ATOM 2833 HG1 SER A 204 52.701 -37.881 23.458 +ATOM 2833 HG SER A 204 52.701 -37.881 23.458 ATOM 2834 C SER A 204 53.778 -34.275 23.518 ATOM 2835 O SER A 204 52.806 -34.103 24.261 ATOM 2836 N ASP A 205 54.002 -33.531 22.437 -ATOM 2837 HN ASP A 205 54.655 -33.839 21.746 +ATOM 2837 H ASP A 205 54.655 -33.839 21.746 ATOM 2838 CA ASP A 205 53.297 -32.269 22.260 ATOM 2839 HA ASP A 205 52.279 -32.381 22.615 ATOM 2840 CB ASP A 205 53.985 -31.168 23.077 -ATOM 2841 HB1 ASP A 205 54.324 -31.516 24.076 +ATOM 2841 HB3 ASP A 205 54.324 -31.516 24.076 ATOM 2842 HB2 ASP A 205 54.890 -30.758 22.579 ATOM 2843 CG ASP A 205 53.087 -29.977 23.340 ATOM 2844 OD1 ASP A 205 51.872 -30.070 23.068 @@ -2848,20 +2848,20 @@ ATOM 2845 OD2 ASP A 205 53.598 -28.946 23.824 ATOM 2846 C ASP A 205 53.248 -31.891 20.786 ATOM 2847 O ASP A 205 54.188 -32.154 20.031 ATOM 2848 N LYS A 206 52.136 -31.269 20.388 -ATOM 2849 HN LYS A 206 51.380 -31.179 21.034 +ATOM 2849 H LYS A 206 51.380 -31.179 21.034 ATOM 2850 CA LYS A 206 51.981 -30.716 19.048 ATOM 2851 HA LYS A 206 52.899 -30.211 18.769 ATOM 2852 CB LYS A 206 51.741 -31.816 18.002 -ATOM 2853 HB1 LYS A 206 51.670 -31.474 16.947 +ATOM 2853 HB3 LYS A 206 51.670 -31.474 16.947 ATOM 2854 HB2 LYS A 206 52.519 -32.607 17.945 ATOM 2855 CG LYS A 206 50.468 -32.621 18.171 -ATOM 2856 HG1 LYS A 206 50.586 -33.347 19.004 +ATOM 2856 HG3 LYS A 206 50.586 -33.347 19.004 ATOM 2857 HG2 LYS A 206 49.618 -31.943 18.401 ATOM 2858 CD LYS A 206 50.161 -33.383 16.890 -ATOM 2859 HD1 LYS A 206 51.089 -33.714 16.377 +ATOM 2859 HD3 LYS A 206 51.089 -33.714 16.377 ATOM 2860 HD2 LYS A 206 49.592 -32.760 16.168 ATOM 2861 CE LYS A 206 49.331 -34.626 17.161 -ATOM 2862 HE1 LYS A 206 48.492 -34.734 16.441 +ATOM 2862 HE3 LYS A 206 48.492 -34.734 16.441 ATOM 2863 HE2 LYS A 206 48.881 -34.615 18.177 ATOM 2864 NZ LYS A 206 50.141 -35.874 17.065 ATOM 2865 HZ1 LYS A 206 49.595 -36.691 17.243 @@ -2871,20 +2871,20 @@ ATOM 2868 C LYS A 206 50.824 -29.728 19.060 ATOM 2869 O LYS A 206 49.863 -29.916 19.815 ATOM 2870 N PRO A 207 50.886 -28.673 18.250 ATOM 2871 CD PRO A 207 52.009 -28.286 17.380 -ATOM 2872 HD1 PRO A 207 52.176 -29.195 16.764 +ATOM 2872 HD3 PRO A 207 52.176 -29.195 16.764 ATOM 2873 HD2 PRO A 207 52.820 -28.053 18.103 ATOM 2874 CA PRO A 207 49.833 -27.655 18.273 ATOM 2875 HA PRO A 207 49.514 -27.427 19.284 ATOM 2876 CB PRO A 207 50.475 -26.472 17.538 -ATOM 2877 HB1 PRO A 207 50.925 -25.859 18.348 +ATOM 2877 HB3 PRO A 207 50.925 -25.859 18.348 ATOM 2878 HB2 PRO A 207 49.626 -25.982 17.015 ATOM 2879 CG PRO A 207 51.467 -27.101 16.630 -ATOM 2880 HG1 PRO A 207 52.343 -26.449 16.426 +ATOM 2880 HG3 PRO A 207 52.343 -26.449 16.426 ATOM 2881 HG2 PRO A 207 51.009 -27.515 15.706 ATOM 2882 C PRO A 207 48.565 -28.101 17.564 ATOM 2883 O PRO A 207 48.592 -28.842 16.578 ATOM 2884 N VAL A 208 47.436 -27.617 18.085 -ATOM 2885 HN VAL A 208 47.474 -27.048 18.905 +ATOM 2885 H VAL A 208 47.474 -27.048 18.905 ATOM 2886 CA VAL A 208 46.147 -27.910 17.469 ATOM 2887 HA VAL A 208 46.092 -28.968 17.239 ATOM 2888 CB VAL A 208 45.005 -27.586 18.451 @@ -2900,11 +2900,11 @@ ATOM 2897 HG23 VAL A 208 46.033 -28.378 20.201 ATOM 2898 C VAL A 208 46.001 -27.151 16.154 ATOM 2899 O VAL A 208 45.460 -27.679 15.174 ATOM 2900 N TYR A 209 46.491 -25.908 16.100 -ATOM 2901 HN TYR A 209 46.958 -25.535 16.900 +ATOM 2901 H TYR A 209 46.958 -25.535 16.900 ATOM 2902 CA TYR A 209 46.363 -25.084 14.909 ATOM 2903 HA TYR A 209 45.845 -25.683 14.169 ATOM 2904 CB TYR A 209 45.546 -23.815 15.188 -ATOM 2905 HB1 TYR A 209 45.967 -23.172 15.991 +ATOM 2905 HB3 TYR A 209 45.967 -23.172 15.991 ATOM 2906 HB2 TYR A 209 45.447 -23.138 14.313 ATOM 2907 CG TYR A 209 44.127 -24.080 15.622 ATOM 2908 CD1 TYR A 209 43.168 -24.509 14.713 @@ -2922,24 +2922,24 @@ ATOM 2919 C TYR A 209 47.731 -24.682 14.369 ATOM 2920 O TYR A 209 48.658 -24.428 15.146 ATOM 2921 N PRO A 210 47.886 -24.615 13.042 ATOM 2922 CD PRO A 210 46.942 -25.094 12.017 -ATOM 2923 HD1 PRO A 210 46.044 -24.461 12.183 +ATOM 2923 HD3 PRO A 210 46.044 -24.461 12.183 ATOM 2924 HD2 PRO A 210 46.812 -26.167 12.273 ATOM 2925 CA PRO A 210 49.192 -24.257 12.469 ATOM 2926 HA PRO A 210 50.001 -24.627 13.088 ATOM 2927 CB PRO A 210 49.129 -24.865 11.063 -ATOM 2928 HB1 PRO A 210 49.548 -25.885 11.196 +ATOM 2928 HB3 PRO A 210 49.548 -25.885 11.196 ATOM 2929 HB2 PRO A 210 49.759 -24.184 10.451 ATOM 2930 CG PRO A 210 47.674 -24.833 10.725 -ATOM 2931 HG1 PRO A 210 47.376 -25.650 10.034 +ATOM 2931 HG3 PRO A 210 47.376 -25.650 10.034 ATOM 2932 HG2 PRO A 210 47.336 -23.833 10.378 ATOM 2933 C PRO A 210 49.468 -22.760 12.400 ATOM 2934 O PRO A 210 50.642 -22.378 12.302 ATOM 2935 N TYR A 211 48.443 -21.905 12.442 -ATOM 2936 HN TYR A 211 47.519 -22.273 12.539 +ATOM 2936 H TYR A 211 47.519 -22.273 12.539 ATOM 2937 CA TYR A 211 48.610 -20.455 12.352 ATOM 2938 HA TYR A 211 49.633 -20.220 12.082 ATOM 2939 CB TYR A 211 47.717 -19.866 11.258 -ATOM 2940 HB1 TYR A 211 47.812 -20.360 10.267 +ATOM 2940 HB3 TYR A 211 47.812 -20.360 10.267 ATOM 2941 HB2 TYR A 211 46.628 -19.911 11.475 ATOM 2942 CG TYR A 211 47.968 -18.397 10.958 ATOM 2943 CD1 TYR A 211 47.522 -17.404 11.822 @@ -2956,17 +2956,17 @@ ATOM 2953 HE2 TYR A 211 49.391 -16.372 8.622 ATOM 2954 C TYR A 211 48.289 -19.848 13.714 ATOM 2955 O TYR A 211 47.120 -19.773 14.106 ATOM 2956 N ARG A 212 49.326 -19.408 14.425 -ATOM 2957 HN ARG A 212 50.239 -19.484 14.028 +ATOM 2957 H ARG A 212 50.239 -19.484 14.028 ATOM 2958 CA ARG A 212 49.196 -18.819 15.758 ATOM 2959 HA ARG A 212 48.157 -18.645 16.012 ATOM 2960 CB ARG A 212 49.730 -19.769 16.827 -ATOM 2961 HB1 ARG A 212 50.835 -19.880 16.796 +ATOM 2961 HB3 ARG A 212 50.835 -19.880 16.796 ATOM 2962 HB2 ARG A 212 49.489 -19.439 17.860 ATOM 2963 CG ARG A 212 49.169 -21.182 16.703 -ATOM 2964 HG1 ARG A 212 48.062 -21.212 16.790 +ATOM 2964 HG3 ARG A 212 48.062 -21.212 16.790 ATOM 2965 HG2 ARG A 212 49.415 -21.656 15.729 ATOM 2966 CD ARG A 212 49.702 -22.120 17.775 -ATOM 2967 HD1 ARG A 212 49.327 -23.160 17.665 +ATOM 2967 HD3 ARG A 212 49.327 -23.160 17.665 ATOM 2968 HD2 ARG A 212 49.423 -21.804 18.803 ATOM 2969 NE ARG A 212 51.159 -22.219 17.770 ATOM 2970 HE ARG A 212 51.662 -21.724 18.477 @@ -2980,14 +2980,14 @@ ATOM 2977 HH22 ARG A 212 50.247 -23.570 15.861 ATOM 2978 C ARG A 212 49.952 -17.492 15.731 ATOM 2979 O ARG A 212 51.181 -17.468 15.846 ATOM 2980 N GLY A 213 49.215 -16.387 15.580 -ATOM 2981 HN GLY A 213 48.241 -16.415 15.802 +ATOM 2981 H GLY A 213 48.241 -16.415 15.802 ATOM 2982 CA GLY A 213 49.795 -15.153 15.103 -ATOM 2983 HA1 GLY A 213 50.905 -15.159 15.058 +ATOM 2983 HA3 GLY A 213 50.905 -15.159 15.058 ATOM 2984 HA2 GLY A 213 49.479 -14.868 14.077 ATOM 2985 C GLY A 213 49.459 -13.938 15.951 ATOM 2986 O GLY A 213 48.563 -13.955 16.799 ATOM 2987 N ILE A 214 50.227 -12.878 15.700 -ATOM 2988 HN ILE A 214 51.039 -13.015 15.134 +ATOM 2988 H ILE A 214 51.039 -13.015 15.134 ATOM 2989 CA ILE A 214 49.964 -11.533 16.195 ATOM 2990 HA ILE A 214 48.989 -11.511 16.668 ATOM 2991 CB ILE A 214 50.976 -11.093 17.274 @@ -2997,20 +2997,20 @@ ATOM 2994 HG21 ILE A 214 51.575 -9.282 18.342 ATOM 2995 HG22 ILE A 214 49.827 -9.353 17.930 ATOM 2996 HG23 ILE A 214 51.038 -8.999 16.650 ATOM 2997 CG1 ILE A 214 50.792 -11.899 18.561 -ATOM 2998 HG11 ILE A 214 49.802 -11.749 19.043 +ATOM 2998 HG13 ILE A 214 49.802 -11.749 19.043 ATOM 2999 HG12 ILE A 214 50.878 -12.997 18.415 ATOM 3000 CD1 ILE A 214 51.809 -11.565 19.639 -ATOM 3001 HD1 ILE A 214 51.675 -12.150 20.574 -ATOM 3002 HD2 ILE A 214 51.785 -10.501 19.959 -ATOM 3003 HD3 ILE A 214 52.861 -11.750 19.331 +ATOM 3001 HD11 ILE A 214 51.675 -12.150 20.574 +ATOM 3002 HD12 ILE A 214 51.785 -10.501 19.959 +ATOM 3003 HD13 ILE A 214 52.861 -11.750 19.331 ATOM 3004 C ILE A 214 50.025 -10.592 15.001 ATOM 3005 O ILE A 214 50.979 -10.644 14.217 ATOM 3006 N LEU A 215 49.002 -9.756 14.849 -ATOM 3007 HN LEU A 215 48.209 -9.850 15.449 +ATOM 3007 H LEU A 215 48.209 -9.850 15.449 ATOM 3008 CA LEU A 215 48.998 -8.707 13.836 ATOM 3009 HA LEU A 215 49.622 -8.998 12.999 ATOM 3010 CB LEU A 215 47.583 -8.485 13.293 -ATOM 3011 HB1 LEU A 215 46.988 -9.323 12.870 +ATOM 3011 HB3 LEU A 215 46.988 -9.323 12.870 ATOM 3012 HB2 LEU A 215 46.769 -8.096 13.942 ATOM 3013 CG LEU A 215 47.316 -7.517 12.130 ATOM 3014 HG LEU A 215 48.108 -7.667 11.405 @@ -3025,11 +3025,11 @@ ATOM 3022 HD23 LEU A 215 46.618 -5.787 13.327 ATOM 3023 C LEU A 215 49.545 -7.432 14.467 ATOM 3024 O LEU A 215 48.954 -6.905 15.416 ATOM 3025 N LEU A 216 50.665 -6.937 13.948 -ATOM 3026 HN LEU A 216 51.113 -7.433 13.206 +ATOM 3026 H LEU A 216 51.113 -7.433 13.206 ATOM 3027 CA LEU A 216 51.261 -5.695 14.426 ATOM 3028 HA LEU A 216 50.738 -5.387 15.324 ATOM 3029 CB LEU A 216 52.731 -5.880 14.802 -ATOM 3030 HB1 LEU A 216 52.915 -6.722 15.503 +ATOM 3030 HB3 LEU A 216 52.915 -6.722 15.503 ATOM 3031 HB2 LEU A 216 53.396 -6.085 13.936 ATOM 3032 CG LEU A 216 53.355 -4.662 15.489 ATOM 3033 HG LEU A 216 53.265 -3.817 14.815 @@ -3044,11 +3044,11 @@ ATOM 3041 HD23 LEU A 216 55.005 -5.753 16.424 ATOM 3042 C LEU A 216 51.115 -4.623 13.354 ATOM 3043 O LEU A 216 51.686 -4.741 12.265 ATOM 3044 N ASP A 217 50.347 -3.586 13.668 -ATOM 3045 HN ASP A 217 49.880 -3.591 14.551 +ATOM 3045 H ASP A 217 49.880 -3.591 14.551 ATOM 3046 CA ASP A 217 50.151 -2.440 12.788 ATOM 3047 HA ASP A 217 50.203 -2.719 11.742 ATOM 3048 CB ASP A 217 48.755 -1.856 13.019 -ATOM 3049 HB1 ASP A 217 47.934 -2.468 12.587 +ATOM 3049 HB3 ASP A 217 47.934 -2.468 12.587 ATOM 3050 HB2 ASP A 217 48.487 -1.741 14.091 ATOM 3051 CG ASP A 217 48.560 -0.467 12.420 ATOM 3052 OD1 ASP A 217 49.408 0.011 11.639 @@ -3056,7 +3056,7 @@ ATOM 3053 OD2 ASP A 217 47.526 0.156 12.743 ATOM 3054 C ASP A 217 51.267 -1.438 13.078 ATOM 3055 O ASP A 217 51.310 -0.842 14.157 ATOM 3056 N THR A 218 52.180 -1.262 12.118 -ATOM 3057 HN THR A 218 52.101 -1.797 11.278 +ATOM 3057 H THR A 218 52.101 -1.797 11.278 ATOM 3058 CA THR A 218 53.287 -0.320 12.246 ATOM 3059 HA THR A 218 53.254 0.067 13.258 ATOM 3060 CB THR A 218 54.631 -1.017 12.027 @@ -3070,7 +3070,7 @@ ATOM 3067 HG23 THR A 218 54.663 -1.984 13.977 ATOM 3068 C THR A 218 53.146 0.861 11.287 ATOM 3069 O THR A 218 54.141 1.490 10.917 ATOM 3070 N ALA A 219 51.919 1.173 10.875 -ATOM 3071 HN ALA A 219 51.152 0.602 11.164 +ATOM 3071 H ALA A 219 51.152 0.602 11.164 ATOM 3072 CA ALA A 219 51.658 2.321 10.016 ATOM 3073 HA ALA A 219 52.632 2.739 9.787 ATOM 3074 CB ALA A 219 50.939 1.883 8.732 @@ -3080,17 +3080,17 @@ ATOM 3077 HB3 ALA A 219 49.968 1.400 8.973 ATOM 3078 C ALA A 219 50.841 3.412 10.687 ATOM 3079 O ALA A 219 51.073 4.592 10.413 ATOM 3080 N ARG A 220 49.886 3.054 11.548 -ATOM 3081 HN ARG A 220 49.649 2.089 11.649 +ATOM 3081 H ARG A 220 49.649 2.089 11.649 ATOM 3082 CA ARG A 220 49.186 4.055 12.342 ATOM 3083 HA ARG A 220 48.848 4.836 11.671 ATOM 3084 CB ARG A 220 47.974 3.427 13.032 -ATOM 3085 HB1 ARG A 220 48.084 2.346 13.263 +ATOM 3085 HB3 ARG A 220 48.084 2.346 13.263 ATOM 3086 HB2 ARG A 220 47.712 3.885 14.009 ATOM 3087 CG ARG A 220 46.681 3.503 12.230 -ATOM 3088 HG1 ARG A 220 45.824 3.068 12.787 +ATOM 3088 HG3 ARG A 220 45.824 3.068 12.787 ATOM 3089 HG2 ARG A 220 46.410 4.552 11.982 ATOM 3090 CD ARG A 220 46.787 2.746 10.912 -ATOM 3091 HD1 ARG A 220 47.153 1.709 11.069 +ATOM 3091 HD3 ARG A 220 47.153 1.709 11.069 ATOM 3092 HD2 ARG A 220 47.491 3.247 10.213 ATOM 3093 NE ARG A 220 45.491 2.658 10.243 ATOM 3094 HE ARG A 220 45.245 3.383 9.601 @@ -3104,11 +3104,11 @@ ATOM 3101 HH22 ARG A 220 43.247 2.421 9.159 ATOM 3102 C ARG A 220 50.107 4.693 13.371 ATOM 3103 O ARG A 220 49.832 5.806 13.832 ATOM 3104 N ASN A 221 51.184 4.001 13.737 -ATOM 3105 HN ASN A 221 51.254 3.054 13.426 +ATOM 3105 H ASN A 221 51.254 3.054 13.426 ATOM 3106 CA ASN A 221 52.266 4.525 14.557 ATOM 3107 HA ASN A 221 52.469 5.552 14.274 ATOM 3108 CB ASN A 221 51.903 4.560 16.045 -ATOM 3109 HB1 ASN A 221 51.194 3.754 16.331 +ATOM 3109 HB3 ASN A 221 51.194 3.754 16.331 ATOM 3110 HB2 ASN A 221 52.789 4.440 16.704 ATOM 3111 CG ASN A 221 51.247 5.863 16.455 ATOM 3112 OD1 ASN A 221 51.705 6.946 16.090 @@ -3118,11 +3118,11 @@ ATOM 3115 HD22 ASN A 221 49.787 4.884 17.506 ATOM 3116 C ASN A 221 53.481 3.641 14.322 ATOM 3117 O ASN A 221 53.347 2.467 13.965 ATOM 3118 N TYR A 222 54.663 4.214 14.518 -ATOM 3119 HN TYR A 222 54.702 5.149 14.867 +ATOM 3119 H TYR A 222 54.702 5.149 14.867 ATOM 3120 CA TYR A 222 55.902 3.507 14.235 ATOM 3121 HA TYR A 222 55.719 2.835 13.404 ATOM 3122 CB TYR A 222 57.005 4.490 13.841 -ATOM 3123 HB1 TYR A 222 56.740 5.160 12.995 +ATOM 3123 HB3 TYR A 222 56.740 5.160 12.995 ATOM 3124 HB2 TYR A 222 57.311 5.184 14.653 ATOM 3125 CG TYR A 222 58.297 3.835 13.406 ATOM 3126 CD1 TYR A 222 58.435 3.305 12.128 @@ -3139,11 +3139,11 @@ ATOM 3136 HE2 TYR A 222 61.405 3.101 14.561 ATOM 3137 C TYR A 222 56.344 2.680 15.436 ATOM 3138 O TYR A 222 56.174 3.078 16.591 ATOM 3139 N TYR A 223 56.909 1.512 15.147 -ATOM 3140 HN TYR A 223 56.942 1.223 14.191 +ATOM 3140 H TYR A 223 56.942 1.223 14.191 ATOM 3141 CA TYR A 223 57.482 0.634 16.158 ATOM 3142 HA TYR A 223 57.364 1.096 17.132 ATOM 3143 CB TYR A 223 56.764 -0.719 16.203 -ATOM 3144 HB1 TYR A 223 56.636 -1.214 15.216 +ATOM 3144 HB3 TYR A 223 56.636 -1.214 15.216 ATOM 3145 HB2 TYR A 223 57.266 -1.495 16.820 ATOM 3146 CG TYR A 223 55.360 -0.676 16.762 ATOM 3147 CD1 TYR A 223 54.320 -0.098 16.043 @@ -3160,18 +3160,18 @@ ATOM 3157 HE2 TYR A 223 53.583 -1.634 19.487 ATOM 3158 C TYR A 223 58.954 0.429 15.838 ATOM 3159 O TYR A 223 59.301 0.078 14.705 ATOM 3160 N SER A 224 59.813 0.653 16.829 -ATOM 3161 HN SER A 224 59.477 0.978 17.712 +ATOM 3161 H SER A 224 59.477 0.978 17.712 ATOM 3162 CA SER A 224 61.238 0.428 16.637 ATOM 3163 HA SER A 224 61.574 1.048 15.814 ATOM 3164 CB SER A 224 62.018 0.819 17.894 -ATOM 3165 HB1 SER A 224 63.113 0.811 17.707 +ATOM 3165 HB3 SER A 224 63.113 0.811 17.707 ATOM 3166 HB2 SER A 224 61.743 1.839 18.238 ATOM 3167 OG SER A 224 61.758 -0.079 18.961 -ATOM 3168 HG1 SER A 224 62.250 0.168 19.754 +ATOM 3168 HG SER A 224 62.250 0.168 19.754 ATOM 3169 C SER A 224 61.501 -1.034 16.293 ATOM 3170 O SER A 224 60.788 -1.938 16.738 ATOM 3171 N ILE A 225 62.531 -1.256 15.474 -ATOM 3172 HN ILE A 225 63.045 -0.483 15.105 +ATOM 3172 H ILE A 225 63.045 -0.483 15.105 ATOM 3173 CA ILE A 225 62.915 -2.618 15.112 ATOM 3174 HA ILE A 225 62.083 -3.105 14.616 ATOM 3175 CB ILE A 225 64.097 -2.593 14.122 @@ -3181,23 +3181,23 @@ ATOM 3178 HG21 ILE A 225 65.668 -3.914 13.382 ATOM 3179 HG22 ILE A 225 64.129 -4.748 13.784 ATOM 3180 HG23 ILE A 225 65.218 -4.190 15.098 ATOM 3181 CG1 ILE A 225 63.620 -2.232 12.714 -ATOM 3182 HG11 ILE A 225 64.249 -2.648 11.898 +ATOM 3182 HG13 ILE A 225 64.249 -2.648 11.898 ATOM 3183 HG12 ILE A 225 62.594 -2.584 12.475 ATOM 3184 CD1 ILE A 225 63.579 -0.747 12.433 -ATOM 3185 HD1 ILE A 225 63.233 -0.485 11.410 -ATOM 3186 HD2 ILE A 225 64.561 -0.237 12.528 -ATOM 3187 HD3 ILE A 225 62.906 -0.173 13.105 +ATOM 3185 HD11 ILE A 225 63.233 -0.485 11.410 +ATOM 3186 HD12 ILE A 225 64.561 -0.237 12.528 +ATOM 3187 HD13 ILE A 225 62.906 -0.173 13.105 ATOM 3188 C ILE A 225 63.241 -3.423 16.364 ATOM 3189 O ILE A 225 62.917 -4.614 16.460 ATOM 3190 N GLU A 226 63.864 -2.775 17.353 -ATOM 3191 HN GLU A 226 64.112 -1.815 17.232 +ATOM 3191 H GLU A 226 64.112 -1.815 17.232 ATOM 3192 CA GLU A 226 64.188 -3.447 18.607 ATOM 3193 HA GLU A 226 64.798 -4.314 18.382 ATOM 3194 CB GLU A 226 64.978 -2.501 19.513 -ATOM 3195 HB1 GLU A 226 66.051 -2.400 19.245 +ATOM 3195 HB3 GLU A 226 66.051 -2.400 19.245 ATOM 3196 HB2 GLU A 226 64.601 -1.456 19.525 ATOM 3197 CG GLU A 226 64.997 -2.906 20.977 -ATOM 3198 HG1 GLU A 226 63.977 -3.010 21.404 +ATOM 3198 HG3 GLU A 226 63.977 -3.010 21.404 ATOM 3199 HG2 GLU A 226 65.503 -3.881 21.144 ATOM 3200 CD GLU A 226 65.720 -1.900 21.850 ATOM 3201 OE1 GLU A 226 66.350 -2.319 22.846 @@ -3205,18 +3205,18 @@ ATOM 3202 OE2 GLU A 226 65.663 -0.692 21.537 ATOM 3203 C GLU A 226 62.931 -3.942 19.313 ATOM 3204 O GLU A 226 62.914 -5.053 19.858 ATOM 3205 N SER A 227 61.866 -3.133 19.313 -ATOM 3206 HN SER A 227 61.922 -2.235 18.879 +ATOM 3206 H SER A 227 61.922 -2.235 18.879 ATOM 3207 CA SER A 227 60.622 -3.560 19.947 ATOM 3208 HA SER A 227 60.869 -3.952 20.927 ATOM 3209 CB SER A 227 59.674 -2.371 20.110 -ATOM 3210 HB1 SER A 227 58.843 -2.601 20.810 +ATOM 3210 HB3 SER A 227 58.843 -2.601 20.810 ATOM 3211 HB2 SER A 227 60.200 -1.478 20.509 ATOM 3212 OG SER A 227 59.088 -1.994 18.874 -ATOM 3213 HG1 SER A 227 58.490 -1.243 18.977 +ATOM 3213 HG SER A 227 58.490 -1.243 18.977 ATOM 3214 C SER A 227 59.945 -4.676 19.161 ATOM 3215 O SER A 227 59.219 -5.489 19.743 ATOM 3216 N ILE A 228 60.169 -4.736 17.846 -ATOM 3217 HN ILE A 228 60.731 -4.037 17.407 +ATOM 3217 H ILE A 228 60.731 -4.037 17.407 ATOM 3218 CA ILE A 228 59.599 -5.815 17.046 ATOM 3219 HA ILE A 228 58.560 -5.953 17.324 ATOM 3220 CB ILE A 228 59.637 -5.447 15.552 @@ -3226,29 +3226,29 @@ ATOM 3223 HG21 ILE A 228 59.301 -6.384 13.608 ATOM 3224 HG22 ILE A 228 58.252 -7.015 14.924 ATOM 3225 HG23 ILE A 228 59.986 -7.487 14.852 ATOM 3226 CG1 ILE A 228 58.693 -4.274 15.275 -ATOM 3227 HG11 ILE A 228 57.615 -4.536 15.335 +ATOM 3227 HG13 ILE A 228 57.615 -4.536 15.335 ATOM 3228 HG12 ILE A 228 58.811 -3.421 15.977 ATOM 3229 CD1 ILE A 228 58.859 -3.656 13.894 -ATOM 3230 HD1 ILE A 228 58.174 -2.805 13.693 -ATOM 3231 HD2 ILE A 228 58.677 -4.363 13.056 -ATOM 3232 HD3 ILE A 228 59.874 -3.248 13.699 +ATOM 3230 HD11 ILE A 228 58.174 -2.805 13.693 +ATOM 3231 HD12 ILE A 228 58.677 -4.363 13.056 +ATOM 3232 HD13 ILE A 228 59.874 -3.248 13.699 ATOM 3233 C ILE A 228 60.323 -7.126 17.327 ATOM 3234 O ILE A 228 59.696 -8.187 17.437 ATOM 3235 N LYS A 229 61.653 -7.075 17.454 -ATOM 3236 HN LYS A 229 62.134 -6.213 17.297 +ATOM 3236 H LYS A 229 62.134 -6.213 17.297 ATOM 3237 CA LYS A 229 62.407 -8.270 17.820 ATOM 3238 HA LYS A 229 62.128 -9.066 17.139 ATOM 3239 CB LYS A 229 63.906 -8.009 17.689 -ATOM 3240 HB1 LYS A 229 64.253 -7.062 18.155 +ATOM 3240 HB3 LYS A 229 64.253 -7.062 18.155 ATOM 3241 HB2 LYS A 229 64.553 -8.786 18.150 ATOM 3242 CG LYS A 229 64.409 -7.917 16.259 -ATOM 3243 HG1 LYS A 229 64.710 -8.920 15.888 +ATOM 3243 HG3 LYS A 229 64.710 -8.920 15.888 ATOM 3244 HG2 LYS A 229 63.614 -7.519 15.593 ATOM 3245 CD LYS A 229 65.608 -6.996 16.178 -ATOM 3246 HD1 LYS A 229 65.791 -6.485 17.147 +ATOM 3246 HD3 LYS A 229 65.791 -6.485 17.147 ATOM 3247 HD2 LYS A 229 65.462 -6.210 15.407 ATOM 3248 CE LYS A 229 66.866 -7.760 15.819 -ATOM 3249 HE1 LYS A 229 66.621 -8.735 15.347 +ATOM 3249 HE3 LYS A 229 66.621 -8.735 15.347 ATOM 3250 HE2 LYS A 229 67.481 -7.965 16.721 ATOM 3251 NZ LYS A 229 67.707 -6.989 14.861 ATOM 3252 HZ1 LYS A 229 68.537 -7.493 14.624 @@ -3257,17 +3257,17 @@ ATOM 3254 HZ3 LYS A 229 67.984 -6.112 15.250 ATOM 3255 C LYS A 229 62.069 -8.723 19.234 ATOM 3256 O LYS A 229 61.964 -9.927 19.497 ATOM 3257 N ARG A 230 61.908 -7.772 20.160 -ATOM 3258 HN ARG A 230 62.092 -6.818 19.926 +ATOM 3258 H ARG A 230 62.092 -6.818 19.926 ATOM 3259 CA ARG A 230 61.466 -8.113 21.509 ATOM 3260 HA ARG A 230 62.195 -8.782 21.951 ATOM 3261 CB ARG A 230 61.372 -6.847 22.362 -ATOM 3262 HB1 ARG A 230 62.269 -6.194 22.307 +ATOM 3262 HB3 ARG A 230 62.269 -6.194 22.307 ATOM 3263 HB2 ARG A 230 60.527 -6.178 22.092 ATOM 3264 CG ARG A 230 61.187 -7.109 23.844 -ATOM 3265 HG1 ARG A 230 60.187 -7.537 24.071 +ATOM 3265 HG3 ARG A 230 60.187 -7.537 24.071 ATOM 3266 HG2 ARG A 230 61.939 -7.825 24.238 ATOM 3267 CD ARG A 230 61.317 -5.836 24.671 -ATOM 3268 HD1 ARG A 230 62.278 -5.309 24.492 +ATOM 3268 HD3 ARG A 230 62.278 -5.309 24.492 ATOM 3269 HD2 ARG A 230 61.268 -6.032 25.764 ATOM 3270 NE ARG A 230 60.260 -4.870 24.381 ATOM 3271 HE ARG A 230 59.322 -5.118 24.620 @@ -3281,7 +3281,7 @@ ATOM 3278 HH22 ARG A 230 58.518 -3.148 23.847 ATOM 3279 C ARG A 230 60.127 -8.837 21.477 ATOM 3280 O ARG A 230 59.930 -9.832 22.186 ATOM 3281 N THR A 231 59.198 -8.355 20.647 -ATOM 3282 HN THR A 231 59.388 -7.524 20.127 +ATOM 3282 H THR A 231 59.388 -7.524 20.127 ATOM 3283 CA THR A 231 57.911 -9.023 20.488 ATOM 3284 HA THR A 231 57.428 -9.065 21.457 ATOM 3285 CB THR A 231 57.034 -8.231 19.520 @@ -3295,7 +3295,7 @@ ATOM 3292 HG23 THR A 231 55.907 -9.959 18.828 ATOM 3293 C THR A 231 58.084 -10.456 19.998 ATOM 3294 O THR A 231 57.414 -11.373 20.489 ATOM 3295 N ILE A 232 58.980 -10.668 19.031 -ATOM 3296 HN ILE A 232 59.501 -9.898 18.665 +ATOM 3296 H ILE A 232 59.501 -9.898 18.665 ATOM 3297 CA ILE A 232 59.210 -12.010 18.501 ATOM 3298 HA ILE A 232 58.266 -12.437 18.183 ATOM 3299 CB ILE A 232 60.130 -11.940 17.266 @@ -3305,23 +3305,23 @@ ATOM 3302 HG21 ILE A 232 61.270 -13.282 15.964 ATOM 3303 HG22 ILE A 232 59.749 -13.991 16.600 ATOM 3304 HG23 ILE A 232 61.177 -13.819 17.674 ATOM 3305 CG1 ILE A 232 59.407 -11.244 16.106 -ATOM 3306 HG11 ILE A 232 58.517 -11.791 15.726 +ATOM 3306 HG13 ILE A 232 58.517 -11.791 15.726 ATOM 3307 HG12 ILE A 232 59.021 -10.231 16.349 ATOM 3308 CD1 ILE A 232 60.268 -11.028 14.868 -ATOM 3309 HD1 ILE A 232 59.744 -10.524 14.028 -ATOM 3310 HD2 ILE A 232 60.667 -11.962 14.418 -ATOM 3311 HD3 ILE A 232 61.170 -10.403 15.040 +ATOM 3309 HD11 ILE A 232 59.744 -10.524 14.028 +ATOM 3310 HD12 ILE A 232 60.667 -11.962 14.418 +ATOM 3311 HD13 ILE A 232 61.170 -10.403 15.040 ATOM 3312 C ILE A 232 59.776 -12.920 19.585 ATOM 3313 O ILE A 232 59.432 -14.108 19.664 ATOM 3314 N GLU A 233 60.642 -12.374 20.445 -ATOM 3315 HN GLU A 233 60.940 -11.430 20.310 +ATOM 3315 H GLU A 233 60.940 -11.430 20.310 ATOM 3316 CA GLU A 233 61.159 -13.136 21.579 ATOM 3317 HA GLU A 233 61.707 -13.987 21.191 ATOM 3318 CB GLU A 233 62.099 -12.265 22.410 -ATOM 3319 HB1 GLU A 233 61.859 -11.180 22.410 +ATOM 3319 HB3 GLU A 233 61.859 -11.180 22.410 ATOM 3320 HB2 GLU A 233 62.143 -12.518 23.491 ATOM 3321 CG GLU A 233 63.548 -12.301 21.985 -ATOM 3322 HG1 GLU A 233 63.962 -13.332 22.012 +ATOM 3322 HG3 GLU A 233 63.962 -13.332 22.012 ATOM 3323 HG2 GLU A 233 63.686 -11.924 20.949 ATOM 3324 CD GLU A 233 64.423 -11.450 22.885 ATOM 3325 OE1 GLU A 233 64.875 -10.375 22.435 @@ -3329,7 +3329,7 @@ ATOM 3326 OE2 GLU A 233 64.650 -11.853 24.045 ATOM 3327 C GLU A 233 60.026 -13.656 22.453 ATOM 3328 O GLU A 233 59.978 -14.845 22.790 ATOM 3329 N ALA A 234 59.106 -12.771 22.836 -ATOM 3330 HN ALA A 234 59.172 -11.824 22.524 +ATOM 3330 H ALA A 234 59.172 -11.824 22.524 ATOM 3331 CA ALA A 234 58.006 -13.169 23.704 ATOM 3332 HA ALA A 234 58.414 -13.697 24.558 ATOM 3333 CB ALA A 234 57.264 -11.932 24.202 @@ -3339,14 +3339,14 @@ ATOM 3336 HB3 ALA A 234 56.857 -11.362 23.339 ATOM 3337 C ALA A 234 57.059 -14.127 22.991 ATOM 3338 O ALA A 234 56.497 -15.033 23.620 ATOM 3339 N MET A 235 56.871 -13.948 21.680 -ATOM 3340 HN MET A 235 57.291 -13.166 21.222 +ATOM 3340 H MET A 235 57.291 -13.166 21.222 ATOM 3341 CA MET A 235 56.057 -14.885 20.910 ATOM 3342 HA MET A 235 55.066 -14.909 21.348 ATOM 3343 CB MET A 235 55.944 -14.421 19.456 -ATOM 3344 HB1 MET A 235 56.911 -14.162 18.974 +ATOM 3344 HB3 MET A 235 56.911 -14.162 18.974 ATOM 3345 HB2 MET A 235 55.496 -15.165 18.763 ATOM 3346 CG MET A 235 55.096 -13.182 19.249 -ATOM 3347 HG1 MET A 235 54.024 -13.378 19.467 +ATOM 3347 HG3 MET A 235 54.024 -13.378 19.467 ATOM 3348 HG2 MET A 235 55.419 -12.349 19.910 ATOM 3349 SD MET A 235 55.195 -12.585 17.551 ATOM 3350 CE MET A 235 54.489 -13.974 16.667 @@ -3356,7 +3356,7 @@ ATOM 3353 HE3 MET A 235 53.449 -14.146 17.019 ATOM 3354 C MET A 235 56.638 -16.293 20.972 ATOM 3355 O MET A 235 55.923 -17.261 21.253 ATOM 3356 N ALA A 236 57.942 -16.420 20.710 -ATOM 3357 HN ALA A 236 58.480 -15.609 20.485 +ATOM 3357 H ALA A 236 58.480 -15.609 20.485 ATOM 3358 CA ALA A 236 58.591 -17.727 20.748 ATOM 3359 HA ALA A 236 58.065 -18.378 20.059 ATOM 3360 CB ALA A 236 60.051 -17.596 20.313 @@ -3366,7 +3366,7 @@ ATOM 3363 HB3 ALA A 236 60.589 -16.904 20.996 ATOM 3364 C ALA A 236 58.509 -18.361 22.130 ATOM 3365 O ALA A 236 58.445 -19.590 22.245 ATOM 3366 N ALA A 237 58.509 -17.542 23.187 -ATOM 3367 HN ALA A 237 58.559 -16.555 23.043 +ATOM 3367 H ALA A 237 58.559 -16.555 23.043 ATOM 3368 CA ALA A 237 58.437 -18.065 24.547 ATOM 3369 HA ALA A 237 59.253 -18.769 24.662 ATOM 3370 CB ALA A 237 58.587 -16.924 25.557 @@ -3376,7 +3376,7 @@ ATOM 3373 HB3 ALA A 237 57.774 -16.180 25.415 ATOM 3374 C ALA A 237 57.145 -18.823 24.811 ATOM 3375 O ALA A 237 57.121 -19.695 25.686 ATOM 3376 N VAL A 238 56.074 -18.515 24.082 -ATOM 3377 HN VAL A 238 56.148 -17.784 23.405 +ATOM 3377 H VAL A 238 56.148 -17.784 23.405 ATOM 3378 CA VAL A 238 54.798 -19.202 24.233 ATOM 3379 HA VAL A 238 54.936 -19.993 24.961 ATOM 3380 CB VAL A 238 53.716 -18.248 24.775 @@ -3392,20 +3392,20 @@ ATOM 3389 HG23 VAL A 238 53.297 -17.329 22.846 ATOM 3390 C VAL A 238 54.357 -19.861 22.925 ATOM 3391 O VAL A 238 53.182 -20.165 22.749 ATOM 3392 N LYS A 239 55.294 -20.060 21.995 -ATOM 3393 HN LYS A 239 56.173 -19.601 22.119 +ATOM 3393 H LYS A 239 56.173 -19.601 22.119 ATOM 3394 CA LYS A 239 55.131 -20.900 20.808 ATOM 3395 HA LYS A 239 56.112 -20.936 20.349 ATOM 3396 CB LYS A 239 54.686 -22.318 21.187 -ATOM 3397 HB1 LYS A 239 53.687 -22.360 21.671 +ATOM 3397 HB3 LYS A 239 53.687 -22.360 21.671 ATOM 3398 HB2 LYS A 239 54.612 -23.011 20.322 ATOM 3399 CG LYS A 239 55.621 -23.014 22.164 -ATOM 3400 HG1 LYS A 239 56.673 -23.005 21.806 +ATOM 3400 HG3 LYS A 239 56.673 -23.005 21.806 ATOM 3401 HG2 LYS A 239 55.613 -22.526 23.162 ATOM 3402 CD LYS A 239 55.235 -24.467 22.376 -ATOM 3403 HD1 LYS A 239 55.138 -24.999 21.406 +ATOM 3403 HD3 LYS A 239 55.138 -24.999 21.406 ATOM 3404 HD2 LYS A 239 54.263 -24.547 22.908 ATOM 3405 CE LYS A 239 56.281 -25.193 23.203 -ATOM 3406 HE1 LYS A 239 57.307 -24.819 22.998 +ATOM 3406 HE3 LYS A 239 57.307 -24.819 22.998 ATOM 3407 HE2 LYS A 239 56.290 -26.285 22.998 ATOM 3408 NZ LYS A 239 56.048 -25.031 24.664 ATOM 3409 HZ1 LYS A 239 56.736 -25.509 25.208 @@ -3414,11 +3414,11 @@ ATOM 3411 HZ3 LYS A 239 55.159 -25.390 24.943 ATOM 3412 C LYS A 239 54.178 -20.320 19.766 ATOM 3413 O LYS A 239 53.696 -21.055 18.896 ATOM 3414 N LEU A 240 53.883 -19.024 19.822 -ATOM 3415 HN LEU A 240 54.083 -18.501 20.650 +ATOM 3415 H LEU A 240 54.083 -18.501 20.650 ATOM 3416 CA LEU A 240 53.269 -18.368 18.676 ATOM 3417 HA LEU A 240 52.371 -18.904 18.391 ATOM 3418 CB LEU A 240 52.865 -16.937 19.030 -ATOM 3419 HB1 LEU A 240 53.686 -16.296 19.417 +ATOM 3419 HB3 LEU A 240 53.686 -16.296 19.417 ATOM 3420 HB2 LEU A 240 52.452 -16.341 18.188 ATOM 3421 CG LEU A 240 51.786 -16.813 20.109 ATOM 3422 HG LEU A 240 52.052 -17.484 20.918 @@ -3433,11 +3433,11 @@ ATOM 3430 HD23 LEU A 240 50.117 -16.603 18.714 ATOM 3431 C LEU A 240 54.253 -18.379 17.511 ATOM 3432 O LEU A 240 55.470 -18.326 17.704 ATOM 3433 N ASN A 241 53.728 -18.463 16.285 -ATOM 3434 HN ASN A 241 52.745 -18.348 16.149 +ATOM 3434 H ASN A 241 52.745 -18.348 16.149 ATOM 3435 CA ASN A 241 54.604 -18.724 15.147 ATOM 3436 HA ASN A 241 55.605 -18.527 15.513 ATOM 3437 CB ASN A 241 54.464 -20.185 14.689 -ATOM 3438 HB1 ASN A 241 55.215 -20.480 13.925 +ATOM 3438 HB3 ASN A 241 55.215 -20.480 13.925 ATOM 3439 HB2 ASN A 241 54.581 -20.918 15.516 ATOM 3440 CG ASN A 241 53.108 -20.494 14.063 ATOM 3441 OD1 ASN A 241 52.241 -19.626 13.944 @@ -3447,7 +3447,7 @@ ATOM 3444 HD22 ASN A 241 53.630 -22.448 13.745 ATOM 3445 C ASN A 241 54.406 -17.793 13.954 ATOM 3446 O ASN A 241 54.993 -18.046 12.896 ATOM 3447 N THR A 242 53.620 -16.725 14.077 -ATOM 3448 HN THR A 242 53.192 -16.522 14.957 +ATOM 3448 H THR A 242 53.192 -16.522 14.957 ATOM 3449 CA THR A 242 53.380 -15.848 12.933 ATOM 3450 HA THR A 242 54.218 -15.954 12.254 ATOM 3451 CB THR A 242 52.107 -16.249 12.185 @@ -3461,11 +3461,11 @@ ATOM 3458 HG23 THR A 242 51.822 -14.295 11.285 ATOM 3459 C THR A 242 53.293 -14.397 13.379 ATOM 3460 O THR A 242 52.413 -14.037 14.165 ATOM 3461 N LEU A 243 54.194 -13.564 12.866 -ATOM 3462 HN LEU A 243 54.970 -13.944 12.365 +ATOM 3462 H LEU A 243 54.970 -13.944 12.365 ATOM 3463 CA LEU A 243 54.090 -12.117 13.009 ATOM 3464 HA LEU A 243 53.432 -11.877 13.836 ATOM 3465 CB LEU A 243 55.439 -11.484 13.341 -ATOM 3466 HB1 LEU A 243 55.908 -11.872 14.270 +ATOM 3466 HB3 LEU A 243 55.908 -11.872 14.270 ATOM 3467 HB2 LEU A 243 56.215 -11.630 12.559 ATOM 3468 CG LEU A 243 55.387 -9.965 13.547 ATOM 3469 HG LEU A 243 54.859 -9.538 12.702 @@ -3479,29 +3479,29 @@ ATOM 3476 HD22 LEU A 243 57.329 -9.558 12.629 ATOM 3477 HD23 LEU A 243 57.391 -9.797 14.406 ATOM 3478 C LEU A 243 53.526 -11.561 11.707 ATOM 3479 O LEU A 243 54.212 -11.546 10.680 -ATOM 3480 N HSE A 244 52.273 -11.125 11.751 -ATOM 3481 HN HSE A 244 51.758 -11.239 12.599 -ATOM 3482 CA HSE A 244 51.615 -10.487 10.617 -ATOM 3483 HA HSE A 244 51.969 -10.879 9.670 -ATOM 3484 CB HSE A 244 50.114 -10.772 10.664 -ATOM 3485 HB1 HSE A 244 49.827 -11.814 10.406 -ATOM 3486 HB2 HSE A 244 49.637 -10.609 11.654 -ATOM 3487 ND1 HSE A 244 47.906 -9.971 9.758 -ATOM 3488 CG HSE A 244 49.284 -9.940 9.734 -ATOM 3489 CE1 HSE A 244 47.432 -9.147 8.841 -ATOM 3490 HE1 HSE A 244 46.384 -8.963 8.634 -ATOM 3491 NE2 HSE A 244 48.453 -8.585 8.219 -ATOM 3492 HE2 HSE A 244 48.386 -7.918 7.479 -ATOM 3493 CD2 HSE A 244 49.622 -9.067 8.755 -ATOM 3494 HD2 HSE A 244 50.627 -8.799 8.451 -ATOM 3495 C HSE A 244 51.939 -8.997 10.683 -ATOM 3496 O HSE A 244 51.425 -8.279 11.546 +ATOM 3480 N HIE A 244 52.273 -11.125 11.751 +ATOM 3481 H HIE A 244 51.758 -11.239 12.599 +ATOM 3482 CA HIE A 244 51.615 -10.487 10.617 +ATOM 3483 HA HIE A 244 51.969 -10.879 9.670 +ATOM 3484 CB HIE A 244 50.114 -10.772 10.664 +ATOM 3485 HB3 HIE A 244 49.827 -11.814 10.406 +ATOM 3486 HB2 HIE A 244 49.637 -10.609 11.654 +ATOM 3487 ND1 HIE A 244 47.906 -9.971 9.758 +ATOM 3488 CG HIE A 244 49.284 -9.940 9.734 +ATOM 3489 CE1 HIE A 244 47.432 -9.147 8.841 +ATOM 3490 HE1 HIE A 244 46.384 -8.963 8.634 +ATOM 3491 NE2 HIE A 244 48.453 -8.585 8.219 +ATOM 3492 HE2 HIE A 244 48.386 -7.918 7.479 +ATOM 3493 CD2 HIE A 244 49.622 -9.067 8.755 +ATOM 3494 HD2 HIE A 244 50.627 -8.799 8.451 +ATOM 3495 C HIE A 244 51.939 -8.997 10.683 +ATOM 3496 O HIE A 244 51.425 -8.279 11.546 ATOM 3497 N TRP A 245 52.798 -8.539 9.773 -ATOM 3498 HN TRP A 245 53.083 -9.154 9.039 +ATOM 3498 H TRP A 245 53.083 -9.154 9.039 ATOM 3499 CA TRP A 245 53.345 -7.181 9.794 ATOM 3500 HA TRP A 245 53.327 -6.777 10.800 ATOM 3501 CB TRP A 245 54.805 -7.197 9.347 -ATOM 3502 HB1 TRP A 245 55.429 -8.010 9.776 +ATOM 3502 HB3 TRP A 245 55.429 -8.010 9.776 ATOM 3503 HB2 TRP A 245 54.971 -7.311 8.254 ATOM 3504 CG TRP A 245 55.600 -5.960 9.676 ATOM 3505 CD1 TRP A 245 55.114 -4.714 9.960 @@ -3520,25 +3520,25 @@ ATOM 3517 CH2 TRP A 245 59.652 -4.981 10.047 ATOM 3518 HH2 TRP A 245 60.682 -4.663 10.161 ATOM 3519 C TRP A 245 52.480 -6.298 8.898 ATOM 3520 O TRP A 245 52.682 -6.223 7.685 -ATOM 3521 N HSE A 246 51.500 -5.626 9.509 -ATOM 3522 HN HSE A 246 51.338 -5.794 10.480 -ATOM 3523 CA HSE A 246 50.653 -4.654 8.816 -ATOM 3524 HA HSE A 246 50.359 -5.016 7.838 -ATOM 3525 CB HSE A 246 49.363 -4.428 9.596 -ATOM 3526 HB1 HSE A 246 48.771 -5.352 9.772 -ATOM 3527 HB2 HSE A 246 49.515 -3.999 10.610 -ATOM 3528 ND1 HSE A 246 47.403 -3.919 8.091 -ATOM 3529 CG HSE A 246 48.404 -3.490 8.933 -ATOM 3530 CE1 HSE A 246 46.711 -2.878 7.662 -ATOM 3531 HE1 HSE A 246 45.866 -2.914 6.984 -ATOM 3532 NE2 HSE A 246 47.225 -1.787 8.200 -ATOM 3533 HE2 HSE A 246 46.898 -0.855 8.049 -ATOM 3534 CD2 HSE A 246 48.284 -2.143 9.002 -ATOM 3535 HD2 HSE A 246 48.906 -1.471 9.581 -ATOM 3536 C HSE A 246 51.464 -3.371 8.649 -ATOM 3537 O HSE A 246 51.388 -2.430 9.444 +ATOM 3521 N HIE A 246 51.500 -5.626 9.509 +ATOM 3522 H HIE A 246 51.338 -5.794 10.480 +ATOM 3523 CA HIE A 246 50.653 -4.654 8.816 +ATOM 3524 HA HIE A 246 50.359 -5.016 7.838 +ATOM 3525 CB HIE A 246 49.363 -4.428 9.596 +ATOM 3526 HB3 HIE A 246 48.771 -5.352 9.772 +ATOM 3527 HB2 HIE A 246 49.515 -3.999 10.610 +ATOM 3528 ND1 HIE A 246 47.403 -3.919 8.091 +ATOM 3529 CG HIE A 246 48.404 -3.490 8.933 +ATOM 3530 CE1 HIE A 246 46.711 -2.878 7.662 +ATOM 3531 HE1 HIE A 246 45.866 -2.914 6.984 +ATOM 3532 NE2 HIE A 246 47.225 -1.787 8.200 +ATOM 3533 HE2 HIE A 246 46.898 -0.855 8.049 +ATOM 3534 CD2 HIE A 246 48.284 -2.143 9.002 +ATOM 3535 HD2 HIE A 246 48.906 -1.471 9.581 +ATOM 3536 C HIE A 246 51.464 -3.371 8.649 +ATOM 3537 O HIE A 246 51.388 -2.430 9.444 ATOM 3538 N ILE A 247 52.259 -3.339 7.574 -ATOM 3539 HN ILE A 247 52.094 -3.981 6.826 +ATOM 3539 H ILE A 247 52.094 -3.981 6.826 ATOM 3540 CA ILE A 247 53.364 -2.388 7.466 ATOM 3541 HA ILE A 247 53.616 -2.083 8.475 ATOM 3542 CB ILE A 247 54.569 -3.082 6.794 @@ -3548,16 +3548,16 @@ ATOM 3545 HG21 ILE A 247 55.197 -3.759 4.813 ATOM 3546 HG22 ILE A 247 54.179 -2.278 4.799 ATOM 3547 HG23 ILE A 247 53.428 -3.882 5.109 ATOM 3548 CG1 ILE A 247 55.869 -2.322 7.082 -ATOM 3549 HG11 ILE A 247 55.935 -1.331 6.584 +ATOM 3549 HG13 ILE A 247 55.935 -1.331 6.584 ATOM 3550 HG12 ILE A 247 56.038 -2.103 8.158 ATOM 3551 CD1 ILE A 247 57.124 -3.052 6.642 -ATOM 3552 HD1 ILE A 247 58.066 -2.501 6.851 -ATOM 3553 HD2 ILE A 247 57.165 -3.269 5.553 -ATOM 3554 HD3 ILE A 247 57.267 -4.041 7.127 +ATOM 3552 HD11 ILE A 247 58.066 -2.501 6.851 +ATOM 3553 HD12 ILE A 247 57.165 -3.269 5.553 +ATOM 3554 HD13 ILE A 247 57.267 -4.041 7.127 ATOM 3555 C ILE A 247 53.006 -1.098 6.734 ATOM 3556 O ILE A 247 53.775 -0.128 6.807 ATOM 3557 N THR A 248 51.871 -1.041 6.038 -ATOM 3558 HN THR A 248 51.317 -1.866 5.937 +ATOM 3558 H THR A 248 51.317 -1.866 5.937 ATOM 3559 CA THR A 248 51.420 0.200 5.421 ATOM 3560 HA THR A 248 52.030 0.996 5.833 ATOM 3561 CB THR A 248 51.615 0.209 3.893 @@ -3571,11 +3571,11 @@ ATOM 3568 HG23 THR A 248 53.628 1.054 3.952 ATOM 3569 C THR A 248 49.951 0.437 5.742 ATOM 3570 O THR A 248 49.202 -0.489 6.067 ATOM 3571 N ASP A 249 49.558 1.701 5.652 -ATOM 3572 HN ASP A 249 50.250 2.397 5.465 +ATOM 3572 H ASP A 249 50.250 2.397 5.465 ATOM 3573 CA ASP A 249 48.172 2.135 5.810 ATOM 3574 HA ASP A 249 47.517 1.529 5.195 ATOM 3575 CB ASP A 249 47.675 1.939 7.243 -ATOM 3576 HB1 ASP A 249 48.199 1.109 7.764 +ATOM 3576 HB3 ASP A 249 48.199 1.109 7.764 ATOM 3577 HB2 ASP A 249 47.822 2.844 7.870 ATOM 3578 CG ASP A 249 46.195 1.614 7.303 ATOM 3579 OD1 ASP A 249 45.380 2.483 6.926 @@ -3583,25 +3583,25 @@ ATOM 3580 OD2 ASP A 249 45.850 0.485 7.713 ATOM 3581 C ASP A 249 48.094 3.593 5.366 ATOM 3582 O ASP A 249 49.047 4.135 4.793 ATOM 3583 N SER A 250 46.953 4.231 5.633 -ATOM 3584 HN SER A 250 46.235 3.767 6.149 +ATOM 3584 H SER A 250 46.235 3.767 6.149 ATOM 3585 CA SER A 250 46.746 5.601 5.177 ATOM 3586 HA SER A 250 46.947 5.634 4.112 ATOM 3587 CB SER A 250 45.297 6.026 5.426 -ATOM 3588 HB1 SER A 250 45.107 6.220 6.503 +ATOM 3588 HB3 SER A 250 45.107 6.220 6.503 ATOM 3589 HB2 SER A 250 45.042 6.956 4.874 ATOM 3590 OG SER A 250 44.381 5.027 5.011 -ATOM 3591 HG1 SER A 250 43.467 5.295 5.168 +ATOM 3591 HG SER A 250 43.467 5.295 5.168 ATOM 3592 C SER A 250 47.706 6.565 5.863 ATOM 3593 O SER A 250 48.173 7.533 5.249 ATOM 3594 N GLN A 251 48.028 6.308 7.132 -ATOM 3595 HN GLN A 251 47.770 5.433 7.539 +ATOM 3595 H GLN A 251 47.770 5.433 7.539 ATOM 3596 CA GLN A 251 48.751 7.288 7.932 ATOM 3597 HA GLN A 251 48.353 8.258 7.656 ATOM 3598 CB GLN A 251 48.522 7.019 9.421 -ATOM 3599 HB1 GLN A 251 48.629 5.951 9.706 +ATOM 3599 HB3 GLN A 251 48.629 5.951 9.706 ATOM 3600 HB2 GLN A 251 49.224 7.562 10.089 ATOM 3601 CG GLN A 251 47.136 7.414 9.912 -ATOM 3602 HG1 GLN A 251 47.129 7.697 10.986 +ATOM 3602 HG3 GLN A 251 47.129 7.697 10.986 ATOM 3603 HG2 GLN A 251 46.720 8.283 9.359 ATOM 3604 CD GLN A 251 46.124 6.293 9.763 ATOM 3605 OE1 GLN A 251 46.370 5.309 9.066 @@ -3611,22 +3611,22 @@ ATOM 3608 HE22 GLN A 251 44.777 7.236 10.986 ATOM 3609 C GLN A 251 50.247 7.334 7.641 ATOM 3610 O GLN A 251 50.868 8.375 7.881 ATOM 3611 N SER A 252 50.840 6.254 7.133 -ATOM 3612 HN SER A 252 50.303 5.436 6.931 +ATOM 3612 H SER A 252 50.303 5.436 6.931 ATOM 3613 CA SER A 252 52.275 6.270 6.873 ATOM 3614 HA SER A 252 52.511 7.203 6.374 ATOM 3615 CB SER A 252 53.082 6.217 8.177 -ATOM 3616 HB1 SER A 252 54.149 6.473 8.002 +ATOM 3616 HB3 SER A 252 54.149 6.473 8.002 ATOM 3617 HB2 SER A 252 52.684 6.933 8.927 ATOM 3618 OG SER A 252 53.041 4.925 8.755 -ATOM 3619 HG1 SER A 252 53.549 4.892 9.576 +ATOM 3619 HG SER A 252 53.549 4.892 9.576 ATOM 3620 C SER A 252 52.662 5.110 5.964 ATOM 3621 O SER A 252 51.930 4.125 5.830 ATOM 3622 N PHE A 253 53.837 5.248 5.346 -ATOM 3623 HN PHE A 253 54.353 6.089 5.502 +ATOM 3623 H PHE A 253 54.353 6.089 5.502 ATOM 3624 CA PHE A 253 54.415 4.242 4.454 ATOM 3625 HA PHE A 253 53.874 3.307 4.543 ATOM 3626 CB PHE A 253 54.299 4.673 2.989 -ATOM 3627 HB1 PHE A 253 53.330 5.149 2.729 +ATOM 3627 HB3 PHE A 253 53.330 5.149 2.729 ATOM 3628 HB2 PHE A 253 55.063 5.413 2.670 ATOM 3629 CG PHE A 253 54.437 3.543 1.998 ATOM 3630 CD1 PHE A 253 55.630 2.847 1.873 @@ -3643,24 +3643,24 @@ ATOM 3640 C PHE A 253 55.870 4.041 4.862 ATOM 3641 O PHE A 253 56.789 4.549 4.205 ATOM 3642 N PRO A 254 56.117 3.305 5.951 ATOM 3643 CD PRO A 254 55.140 2.700 6.872 -ATOM 3644 HD1 PRO A 254 54.561 2.014 6.218 +ATOM 3644 HD3 PRO A 254 54.561 2.014 6.218 ATOM 3645 HD2 PRO A 254 54.569 3.574 7.252 ATOM 3646 CA PRO A 254 57.498 3.112 6.413 ATOM 3647 HA PRO A 254 58.095 4.001 6.242 ATOM 3648 CB PRO A 254 57.313 2.733 7.888 -ATOM 3649 HB1 PRO A 254 57.307 3.713 8.410 +ATOM 3649 HB3 PRO A 254 57.307 3.713 8.410 ATOM 3650 HB2 PRO A 254 58.197 2.097 8.107 ATOM 3651 CG PRO A 254 56.009 2.012 7.903 -ATOM 3652 HG1 PRO A 254 55.474 2.113 8.871 +ATOM 3652 HG3 PRO A 254 55.474 2.113 8.871 ATOM 3653 HG2 PRO A 254 56.099 0.955 7.571 ATOM 3654 C PRO A 254 58.265 2.029 5.671 ATOM 3655 O PRO A 254 59.483 1.923 5.865 ATOM 3656 N PHE A 255 57.610 1.221 4.838 -ATOM 3657 HN PHE A 255 56.626 1.338 4.707 +ATOM 3657 H PHE A 255 56.626 1.338 4.707 ATOM 3658 CA PHE A 255 58.314 0.168 4.115 ATOM 3659 HA PHE A 255 58.932 -0.381 4.816 ATOM 3660 CB PHE A 255 57.322 -0.810 3.487 -ATOM 3661 HB1 PHE A 255 56.760 -1.414 4.232 +ATOM 3661 HB3 PHE A 255 56.760 -1.414 4.232 ATOM 3662 HB2 PHE A 255 56.542 -0.317 2.868 ATOM 3663 CG PHE A 255 57.965 -1.817 2.574 ATOM 3664 CD1 PHE A 255 58.916 -2.700 3.058 @@ -3676,7 +3676,7 @@ ATOM 3673 HE2 PHE A 255 57.949 -2.839 -0.655 ATOM 3674 C PHE A 255 59.209 0.782 3.043 ATOM 3675 O PHE A 255 58.737 1.540 2.190 ATOM 3676 N VAL A 256 60.500 0.452 3.083 -ATOM 3677 HN VAL A 256 60.816 -0.186 3.784 +ATOM 3677 H VAL A 256 60.816 -0.186 3.784 ATOM 3678 CA VAL A 256 61.468 0.997 2.131 ATOM 3679 HA VAL A 256 61.236 2.035 1.920 ATOM 3680 CB VAL A 256 62.890 1.008 2.697 @@ -3692,7 +3692,7 @@ ATOM 3689 HG23 VAL A 256 62.294 1.724 4.663 ATOM 3690 C VAL A 256 61.371 0.162 0.856 ATOM 3691 O VAL A 256 61.938 -0.929 0.766 ATOM 3692 N THR A 257 60.633 0.665 -0.128 -ATOM 3693 HN THR A 257 60.115 1.504 0.033 +ATOM 3693 H THR A 257 60.115 1.504 0.033 ATOM 3694 CA THR A 257 60.558 0.027 -1.435 ATOM 3695 HA THR A 257 60.766 -1.032 -1.334 ATOM 3696 CB THR A 257 59.153 0.141 -2.030 @@ -3706,7 +3706,7 @@ ATOM 3703 HG23 THR A 257 58.522 1.822 -0.780 ATOM 3704 C THR A 257 61.601 0.664 -2.346 ATOM 3705 O THR A 257 61.529 1.861 -2.646 ATOM 3706 N THR A 258 62.581 -0.135 -2.764 -ATOM 3707 HN THR A 258 62.571 -1.102 -2.514 +ATOM 3707 H THR A 258 62.571 -1.102 -2.514 ATOM 3708 CA THR A 258 63.669 0.389 -3.583 ATOM 3709 HA THR A 258 64.068 1.272 -3.098 ATOM 3710 CB THR A 258 64.777 -0.663 -3.701 @@ -3720,20 +3720,20 @@ ATOM 3717 HG23 THR A 258 65.595 0.099 -5.577 ATOM 3718 C THR A 258 63.177 0.818 -4.960 ATOM 3719 O THR A 258 63.696 1.785 -5.529 ATOM 3720 N LYS A 259 62.160 0.141 -5.495 -ATOM 3721 HN LYS A 259 61.705 -0.567 -4.957 +ATOM 3721 H LYS A 259 61.705 -0.567 -4.957 ATOM 3722 CA LYS A 259 61.700 0.416 -6.850 ATOM 3723 HA LYS A 259 62.579 0.661 -7.436 ATOM 3724 CB LYS A 259 61.008 -0.821 -7.423 -ATOM 3725 HB1 LYS A 259 60.210 -1.223 -6.762 +ATOM 3725 HB3 LYS A 259 60.210 -1.223 -6.762 ATOM 3726 HB2 LYS A 259 60.516 -0.635 -8.401 ATOM 3727 CG LYS A 259 61.958 -1.983 -7.663 -ATOM 3728 HG1 LYS A 259 62.791 -1.703 -8.342 +ATOM 3728 HG3 LYS A 259 62.791 -1.703 -8.342 ATOM 3729 HG2 LYS A 259 62.418 -2.344 -6.718 ATOM 3730 CD LYS A 259 61.252 -3.171 -8.294 -ATOM 3731 HD1 LYS A 259 60.675 -2.864 -9.193 +ATOM 3731 HD3 LYS A 259 60.675 -2.864 -9.193 ATOM 3732 HD2 LYS A 259 60.542 -3.641 -7.580 ATOM 3733 CE LYS A 259 62.249 -4.237 -8.725 -ATOM 3734 HE1 LYS A 259 63.050 -4.391 -7.970 +ATOM 3734 HE3 LYS A 259 63.050 -4.391 -7.970 ATOM 3735 HE2 LYS A 259 62.755 -3.975 -9.679 ATOM 3736 NZ LYS A 259 61.599 -5.561 -8.935 ATOM 3737 HZ1 LYS A 259 62.253 -6.261 -9.218 @@ -3742,17 +3742,17 @@ ATOM 3739 HZ3 LYS A 259 60.893 -5.526 -9.641 ATOM 3740 C LYS A 259 60.768 1.618 -6.935 ATOM 3741 O LYS A 259 60.662 2.223 -8.006 ATOM 3742 N ARG A 260 60.092 1.973 -5.844 -ATOM 3743 HN ARG A 260 60.194 1.418 -5.020 +ATOM 3743 H ARG A 260 60.194 1.418 -5.020 ATOM 3744 CA ARG A 260 59.207 3.138 -5.795 ATOM 3745 HA ARG A 260 59.346 3.736 -6.688 ATOM 3746 CB ARG A 260 57.738 2.712 -5.770 -ATOM 3747 HB1 ARG A 260 57.452 2.126 -4.871 +ATOM 3747 HB3 ARG A 260 57.452 2.126 -4.871 ATOM 3748 HB2 ARG A 260 57.020 3.560 -5.790 ATOM 3749 CG ARG A 260 57.326 1.835 -6.944 -ATOM 3750 HG1 ARG A 260 58.029 0.985 -7.078 +ATOM 3750 HG3 ARG A 260 58.029 0.985 -7.078 ATOM 3751 HG2 ARG A 260 56.310 1.411 -6.793 ATOM 3752 CD ARG A 260 57.307 2.628 -8.246 -ATOM 3753 HD1 ARG A 260 58.259 3.175 -8.414 +ATOM 3753 HD3 ARG A 260 58.259 3.175 -8.414 ATOM 3754 HD2 ARG A 260 56.494 3.385 -8.260 ATOM 3755 NE ARG A 260 57.103 1.767 -9.408 ATOM 3756 HE ARG A 260 57.243 0.785 -9.290 @@ -3767,24 +3767,24 @@ ATOM 3764 C ARG A 260 59.562 3.973 -4.572 ATOM 3765 O ARG A 260 58.759 4.111 -3.640 ATOM 3766 N PRO A 261 60.757 4.575 -4.558 ATOM 3767 CD PRO A 261 61.686 4.773 -5.683 -ATOM 3768 HD1 PRO A 261 61.021 5.126 -6.500 +ATOM 3768 HD3 PRO A 261 61.021 5.126 -6.500 ATOM 3769 HD2 PRO A 261 62.119 3.761 -5.834 ATOM 3770 CA PRO A 261 61.255 5.192 -3.318 ATOM 3771 HA PRO A 261 61.184 4.503 -2.484 ATOM 3772 CB PRO A 261 62.689 5.597 -3.679 -ATOM 3773 HB1 PRO A 261 63.304 4.730 -3.356 +ATOM 3773 HB3 PRO A 261 63.304 4.730 -3.356 ATOM 3774 HB2 PRO A 261 62.863 6.525 -3.093 ATOM 3775 CG PRO A 261 62.647 5.803 -5.155 -ATOM 3776 HG1 PRO A 261 63.619 5.590 -5.650 +ATOM 3776 HG3 PRO A 261 63.619 5.590 -5.650 ATOM 3777 HG2 PRO A 261 62.221 6.788 -5.443 ATOM 3778 C PRO A 261 60.448 6.387 -2.842 ATOM 3779 O PRO A 261 60.495 6.695 -1.645 ATOM 3780 N ASN A 262 59.715 7.071 -3.724 -ATOM 3781 HN ASN A 262 59.712 6.799 -4.685 +ATOM 3781 H ASN A 262 59.712 6.799 -4.685 ATOM 3782 CA ASN A 262 58.919 8.214 -3.290 ATOM 3783 HA ASN A 262 59.589 8.884 -2.763 ATOM 3784 CB ASN A 262 58.316 8.932 -4.498 -ATOM 3785 HB1 ASN A 262 58.034 8.232 -5.313 +ATOM 3785 HB3 ASN A 262 58.034 8.232 -5.313 ATOM 3786 HB2 ASN A 262 57.395 9.497 -4.242 ATOM 3787 CG ASN A 262 59.270 9.935 -5.114 ATOM 3788 OD1 ASN A 262 60.309 10.255 -4.538 @@ -3794,11 +3794,11 @@ ATOM 3791 HD22 ASN A 262 58.076 10.179 -6.762 ATOM 3792 C ASN A 262 57.811 7.814 -2.325 ATOM 3793 O ASN A 262 57.337 8.660 -1.558 ATOM 3794 N LEU A 263 57.389 6.547 -2.346 -ATOM 3795 HN LEU A 263 57.802 5.898 -2.984 +ATOM 3795 H LEU A 263 57.802 5.898 -2.984 ATOM 3796 CA LEU A 263 56.330 6.101 -1.446 ATOM 3797 HA LEU A 263 55.469 6.744 -1.590 ATOM 3798 CB LEU A 263 55.929 4.663 -1.775 -ATOM 3799 HB1 LEU A 263 56.757 3.926 -1.843 +ATOM 3799 HB3 LEU A 263 56.757 3.926 -1.843 ATOM 3800 HB2 LEU A 263 55.240 4.169 -1.057 ATOM 3801 CG LEU A 263 55.205 4.451 -3.106 ATOM 3802 HG LEU A 263 55.835 4.838 -3.899 @@ -3813,11 +3813,11 @@ ATOM 3810 HD23 LEU A 263 53.209 4.885 -2.331 ATOM 3811 C LEU A 263 56.759 6.222 0.011 ATOM 3812 O LEU A 263 56.028 6.777 0.838 ATOM 3813 N TYR A 264 57.947 5.713 0.348 -ATOM 3814 HN TYR A 264 58.515 5.258 -0.336 +ATOM 3814 H TYR A 264 58.515 5.258 -0.336 ATOM 3815 CA TYR A 264 58.404 5.830 1.729 ATOM 3816 HA TYR A 264 57.532 5.738 2.366 ATOM 3817 CB TYR A 264 59.383 4.699 2.075 -ATOM 3818 HB1 TYR A 264 59.592 4.536 3.154 +ATOM 3818 HB3 TYR A 264 59.592 4.536 3.154 ATOM 3819 HB2 TYR A 264 59.097 3.677 1.747 ATOM 3820 CG TYR A 264 60.783 4.819 1.509 ATOM 3821 CD1 TYR A 264 61.770 5.538 2.178 @@ -3834,20 +3834,20 @@ ATOM 3831 HE2 TYR A 264 62.653 3.758 -1.111 ATOM 3832 C TYR A 264 59.025 7.192 2.013 ATOM 3833 O TYR A 264 58.945 7.674 3.147 ATOM 3834 N LYS A 265 59.627 7.833 1.009 -ATOM 3835 HN LYS A 265 59.697 7.402 0.111 +ATOM 3835 H LYS A 265 59.697 7.402 0.111 ATOM 3836 CA LYS A 265 60.183 9.165 1.226 ATOM 3837 HA LYS A 265 60.861 9.118 2.071 ATOM 3838 CB LYS A 265 60.971 9.616 -0.003 -ATOM 3839 HB1 LYS A 265 60.644 9.123 -0.943 +ATOM 3839 HB3 LYS A 265 60.644 9.123 -0.943 ATOM 3840 HB2 LYS A 265 60.892 10.706 -0.203 ATOM 3841 CG LYS A 265 62.462 9.335 0.098 -ATOM 3842 HG1 LYS A 265 63.003 10.138 0.642 +ATOM 3842 HG3 LYS A 265 63.003 10.138 0.642 ATOM 3843 HG2 LYS A 265 62.673 8.386 0.636 ATOM 3844 CD LYS A 265 63.115 9.217 -1.268 -ATOM 3845 HD1 LYS A 265 62.708 9.982 -1.963 +ATOM 3845 HD3 LYS A 265 62.708 9.982 -1.963 ATOM 3846 HD2 LYS A 265 62.928 8.213 -1.706 ATOM 3847 CE LYS A 265 64.618 9.419 -1.162 -ATOM 3848 HE1 LYS A 265 65.065 8.873 -0.304 +ATOM 3848 HE3 LYS A 265 65.065 8.873 -0.304 ATOM 3849 HE2 LYS A 265 64.900 10.485 -1.027 ATOM 3850 NZ LYS A 265 65.348 8.952 -2.372 ATOM 3851 HZ1 LYS A 265 66.336 9.085 -2.302 @@ -3856,11 +3856,11 @@ ATOM 3853 HZ3 LYS A 265 65.064 9.429 -3.203 ATOM 3854 C LYS A 265 59.087 10.167 1.568 ATOM 3855 O LYS A 265 59.243 10.978 2.489 ATOM 3856 N PHE A 266 57.964 10.117 0.848 -ATOM 3857 HN PHE A 266 57.898 9.484 0.078 +ATOM 3857 H PHE A 266 57.898 9.484 0.078 ATOM 3858 CA PHE A 266 56.833 10.978 1.175 ATOM 3859 HA PHE A 266 57.248 11.913 1.535 ATOM 3860 CB PHE A 266 55.973 11.231 -0.065 -ATOM 3861 HB1 PHE A 266 55.568 10.308 -0.533 +ATOM 3861 HB3 PHE A 266 55.568 10.308 -0.533 ATOM 3862 HB2 PHE A 266 55.078 11.861 0.124 ATOM 3863 CG PHE A 266 56.695 11.931 -1.181 ATOM 3864 CD1 PHE A 266 57.778 12.753 -0.923 @@ -3876,14 +3876,14 @@ ATOM 3873 HE2 PHE A 266 56.600 12.276 -4.546 ATOM 3874 C PHE A 266 55.959 10.389 2.276 ATOM 3875 O PHE A 266 55.309 11.141 3.010 ATOM 3876 N GLY A 267 55.928 9.065 2.408 -ATOM 3877 HN GLY A 267 56.567 8.504 1.884 +ATOM 3877 H GLY A 267 56.567 8.504 1.884 ATOM 3878 CA GLY A 267 54.981 8.423 3.301 -ATOM 3879 HA1 GLY A 267 54.003 8.936 3.425 +ATOM 3879 HA3 GLY A 267 54.003 8.936 3.425 ATOM 3880 HA2 GLY A 267 54.672 7.392 3.024 ATOM 3881 C GLY A 267 55.434 8.247 4.734 ATOM 3882 O GLY A 267 54.598 8.137 5.636 ATOM 3883 N ALA A 268 56.743 8.212 4.964 -ATOM 3884 HN ALA A 268 57.382 8.348 4.208 +ATOM 3884 H ALA A 268 57.382 8.348 4.208 ATOM 3885 CA ALA A 268 57.253 7.978 6.307 ATOM 3886 HA ALA A 268 56.767 7.091 6.696 ATOM 3887 CB ALA A 268 58.762 7.745 6.276 @@ -3893,11 +3893,11 @@ ATOM 3890 HB3 ALA A 268 59.286 8.629 5.853 ATOM 3891 C ALA A 268 56.931 9.151 7.224 ATOM 3892 O ALA A 268 56.876 10.309 6.800 ATOM 3893 N LEU A 269 56.707 8.833 8.502 -ATOM 3894 HN LEU A 269 56.682 7.872 8.773 +ATOM 3894 H LEU A 269 56.682 7.872 8.773 ATOM 3895 CA LEU A 269 56.498 9.869 9.507 ATOM 3896 HA LEU A 269 55.720 10.529 9.141 ATOM 3897 CB LEU A 269 56.056 9.236 10.826 -ATOM 3898 HB1 LEU A 269 56.686 8.397 11.190 +ATOM 3898 HB3 LEU A 269 56.686 8.397 11.190 ATOM 3899 HB2 LEU A 269 56.030 9.920 11.701 ATOM 3900 CG LEU A 269 54.652 8.630 10.829 ATOM 3901 HG LEU A 269 54.525 8.053 9.920 @@ -3912,39 +3912,39 @@ ATOM 3909 HD23 LEU A 269 53.721 10.360 11.758 ATOM 3910 C LEU A 269 57.748 10.707 9.726 ATOM 3911 O LEU A 269 57.642 11.849 10.186 ATOM 3912 N SER A 270 58.914 10.161 9.408 -ATOM 3913 HN SER A 270 58.909 9.225 9.059 +ATOM 3913 H SER A 270 58.909 9.225 9.059 ATOM 3914 CA SER A 270 60.201 10.830 9.532 ATOM 3915 HA SER A 270 60.153 11.811 9.074 ATOM 3916 CB SER A 270 60.579 11.052 11.007 -ATOM 3917 HB1 SER A 270 61.124 12.010 11.142 +ATOM 3917 HB3 SER A 270 61.124 12.010 11.142 ATOM 3918 HB2 SER A 270 59.675 11.084 11.653 ATOM 3919 OG SER A 270 61.413 10.011 11.484 -ATOM 3920 HG1 SER A 270 61.650 10.150 12.409 +ATOM 3920 HG SER A 270 61.650 10.150 12.409 ATOM 3921 C SER A 270 61.242 9.962 8.829 ATOM 3922 O SER A 270 60.997 8.774 8.598 ATOM 3923 N PRO A 271 62.396 10.533 8.463 ATOM 3924 CD PRO A 271 62.777 11.954 8.523 -ATOM 3925 HD1 PRO A 271 63.111 12.078 9.575 +ATOM 3925 HD3 PRO A 271 63.111 12.078 9.575 ATOM 3926 HD2 PRO A 271 61.831 12.476 8.263 ATOM 3927 CA PRO A 271 63.414 9.723 7.771 ATOM 3928 HA PRO A 271 63.020 9.268 6.869 ATOM 3929 CB PRO A 271 64.544 10.729 7.514 -ATOM 3930 HB1 PRO A 271 64.969 10.424 6.534 +ATOM 3930 HB3 PRO A 271 64.969 10.424 6.534 ATOM 3931 HB2 PRO A 271 65.238 10.590 8.370 ATOM 3932 CG PRO A 271 63.864 12.054 7.494 -ATOM 3933 HG1 PRO A 271 63.341 12.267 6.537 +ATOM 3933 HG3 PRO A 271 63.341 12.267 6.537 ATOM 3934 HG2 PRO A 271 64.513 12.888 7.836 ATOM 3935 C PRO A 271 63.899 8.532 8.580 ATOM 3936 O PRO A 271 64.282 7.511 7.995 ATOM 3937 N GLN A 272 63.890 8.628 9.908 -ATOM 3938 HN GLN A 272 63.581 9.477 10.333 +ATOM 3938 H GLN A 272 63.581 9.477 10.333 ATOM 3939 CA GLN A 272 64.320 7.524 10.755 ATOM 3940 HA GLN A 272 65.122 7.027 10.221 ATOM 3941 CB GLN A 272 64.819 8.051 12.104 -ATOM 3942 HB1 GLN A 272 64.129 8.770 12.595 +ATOM 3942 HB3 GLN A 272 64.129 8.770 12.595 ATOM 3943 HB2 GLN A 272 64.984 7.262 12.868 ATOM 3944 CG GLN A 272 66.146 8.790 12.032 -ATOM 3945 HG1 GLN A 272 66.618 8.919 13.030 +ATOM 3945 HG3 GLN A 272 66.618 8.919 13.030 ATOM 3946 HG2 GLN A 272 66.894 8.264 11.402 ATOM 3947 CD GLN A 272 66.007 10.182 11.448 ATOM 3948 OE1 GLN A 272 65.060 10.906 11.761 @@ -3954,20 +3954,20 @@ ATOM 3951 HE22 GLN A 272 67.720 9.980 10.343 ATOM 3952 C GLN A 272 63.223 6.497 11.000 ATOM 3953 O GLN A 272 63.531 5.368 11.396 ATOM 3954 N LYS A 273 61.961 6.856 10.770 -ATOM 3955 HN LYS A 273 61.773 7.766 10.403 +ATOM 3955 H LYS A 273 61.773 7.766 10.403 ATOM 3956 CA LYS A 273 60.844 5.953 11.041 ATOM 3957 HA LYS A 273 61.136 5.217 11.781 ATOM 3958 CB LYS A 273 59.669 6.727 11.625 -ATOM 3959 HB1 LYS A 273 59.422 7.630 11.027 +ATOM 3959 HB3 LYS A 273 59.422 7.630 11.027 ATOM 3960 HB2 LYS A 273 58.744 6.114 11.671 ATOM 3961 CG LYS A 273 59.944 7.206 13.043 -ATOM 3962 HG1 LYS A 273 60.127 6.371 13.752 +ATOM 3962 HG3 LYS A 273 60.127 6.371 13.752 ATOM 3963 HG2 LYS A 273 60.837 7.863 13.110 ATOM 3964 CD LYS A 273 58.794 8.005 13.628 -ATOM 3965 HD1 LYS A 273 57.842 7.444 13.514 +ATOM 3965 HD3 LYS A 273 57.842 7.444 13.514 ATOM 3966 HD2 LYS A 273 58.700 8.980 13.104 ATOM 3967 CE LYS A 273 59.036 8.265 15.107 -ATOM 3968 HE1 LYS A 273 60.036 8.710 15.297 +ATOM 3968 HE3 LYS A 273 60.036 8.710 15.297 ATOM 3969 HE2 LYS A 273 58.982 7.334 15.711 ATOM 3970 NZ LYS A 273 58.039 9.202 15.682 ATOM 3971 HZ1 LYS A 273 58.198 9.373 16.653 @@ -3976,7 +3976,7 @@ ATOM 3973 HZ3 LYS A 273 57.105 8.856 15.602 ATOM 3974 C LYS A 273 60.470 5.202 9.762 ATOM 3975 O LYS A 273 59.390 5.353 9.187 ATOM 3976 N VAL A 274 61.416 4.375 9.319 -ATOM 3977 HN VAL A 274 62.284 4.340 9.812 +ATOM 3977 H VAL A 274 62.284 4.340 9.812 ATOM 3978 CA VAL A 274 61.250 3.520 8.154 ATOM 3979 HA VAL A 274 60.198 3.499 7.894 ATOM 3980 CB VAL A 274 61.994 4.053 6.913 @@ -3992,11 +3992,11 @@ ATOM 3989 HG23 VAL A 274 63.858 3.034 7.377 ATOM 3990 C VAL A 274 61.750 2.128 8.508 ATOM 3991 O VAL A 274 62.369 1.906 9.549 ATOM 3992 N TYR A 275 61.478 1.186 7.613 -ATOM 3993 HN TYR A 275 60.924 1.429 6.818 +ATOM 3993 H TYR A 275 60.924 1.429 6.818 ATOM 3994 CA TYR A 275 61.952 -0.188 7.738 ATOM 3995 HA TYR A 275 62.579 -0.306 8.614 ATOM 3996 CB TYR A 275 60.791 -1.154 7.935 -ATOM 3997 HB1 TYR A 275 60.047 -1.122 7.111 +ATOM 3997 HB3 TYR A 275 60.047 -1.122 7.111 ATOM 3998 HB2 TYR A 275 61.109 -2.216 8.003 ATOM 3999 CG TYR A 275 60.001 -0.892 9.197 ATOM 4000 CD1 TYR A 275 60.585 -1.052 10.450 @@ -4013,7 +4013,7 @@ ATOM 4010 HE2 TYR A 275 56.917 0.081 10.227 ATOM 4011 C TYR A 275 62.757 -0.497 6.482 ATOM 4012 O TYR A 275 62.191 -0.793 5.425 ATOM 4013 N THR A 276 64.079 -0.407 6.602 -ATOM 4014 HN THR A 276 64.473 -0.167 7.488 +ATOM 4014 H THR A 276 64.473 -0.167 7.488 ATOM 4015 CA THR A 276 64.964 -0.649 5.476 ATOM 4016 HA THR A 276 64.585 -0.100 4.622 ATOM 4017 CB THR A 276 66.376 -0.155 5.786 @@ -4027,20 +4027,20 @@ ATOM 4024 HG23 THR A 276 65.945 1.926 5.326 ATOM 4025 C THR A 276 64.994 -2.135 5.134 ATOM 4026 O THR A 276 64.513 -2.989 5.885 ATOM 4027 N LYS A 277 65.570 -2.436 3.967 -ATOM 4028 HN LYS A 277 65.866 -1.702 3.357 +ATOM 4028 H LYS A 277 65.866 -1.702 3.357 ATOM 4029 CA LYS A 277 65.771 -3.827 3.576 ATOM 4030 HA LYS A 277 64.803 -4.314 3.543 ATOM 4031 CB LYS A 277 66.409 -3.895 2.189 -ATOM 4032 HB1 LYS A 277 67.310 -3.257 2.066 +ATOM 4032 HB3 LYS A 277 67.310 -3.257 2.066 ATOM 4033 HB2 LYS A 277 66.752 -4.909 1.890 ATOM 4034 CG LYS A 277 65.495 -3.466 1.056 -ATOM 4035 HG1 LYS A 277 64.510 -3.976 1.124 +ATOM 4035 HG3 LYS A 277 64.510 -3.976 1.124 ATOM 4036 HG2 LYS A 277 65.314 -2.370 1.083 ATOM 4037 CD LYS A 277 66.105 -3.805 -0.294 -ATOM 4038 HD1 LYS A 277 65.400 -3.601 -1.128 +ATOM 4038 HD3 LYS A 277 65.400 -3.601 -1.128 ATOM 4039 HD2 LYS A 277 66.388 -4.877 -0.361 ATOM 4040 CE LYS A 277 67.362 -2.994 -0.565 -ATOM 4041 HE1 LYS A 277 68.133 -3.172 0.215 +ATOM 4041 HE3 LYS A 277 68.133 -3.172 0.215 ATOM 4042 HE2 LYS A 277 67.144 -1.905 -0.579 ATOM 4043 NZ LYS A 277 67.963 -3.351 -1.883 ATOM 4044 HZ1 LYS A 277 68.789 -2.818 -2.061 @@ -4049,7 +4049,7 @@ ATOM 4046 HZ3 LYS A 277 67.324 -3.178 -2.631 ATOM 4047 C LYS A 277 66.632 -4.563 4.594 ATOM 4048 O LYS A 277 66.352 -5.718 4.937 ATOM 4049 N ALA A 278 67.685 -3.907 5.091 -ATOM 4050 HN ALA A 278 67.881 -2.978 4.781 +ATOM 4050 H ALA A 278 67.881 -2.978 4.781 ATOM 4051 CA ALA A 278 68.550 -4.536 6.083 ATOM 4052 HA ALA A 278 68.886 -5.485 5.681 ATOM 4053 CB ALA A 278 69.767 -3.653 6.359 @@ -4059,7 +4059,7 @@ ATOM 4056 HB3 ALA A 278 69.444 -2.663 6.745 ATOM 4057 C ALA A 278 67.796 -4.818 7.376 ATOM 4058 O ALA A 278 67.956 -5.888 7.976 ATOM 4059 N ALA A 279 66.971 -3.868 7.822 -ATOM 4060 HN ALA A 279 66.854 -3.025 7.298 +ATOM 4060 H ALA A 279 66.854 -3.025 7.298 ATOM 4061 CA ALA A 279 66.239 -4.054 9.071 ATOM 4062 HA ALA A 279 66.946 -4.348 9.838 ATOM 4063 CB ALA A 279 65.572 -2.743 9.487 @@ -4069,7 +4069,7 @@ ATOM 4066 HB3 ALA A 279 64.862 -2.411 8.700 ATOM 4067 C ALA A 279 65.205 -5.167 8.947 ATOM 4068 O ALA A 279 65.060 -5.989 9.859 ATOM 4069 N ILE A 280 64.477 -5.209 7.830 -ATOM 4070 HN ILE A 280 64.613 -4.517 7.122 +ATOM 4070 H ILE A 280 64.613 -4.517 7.122 ATOM 4071 CA ILE A 280 63.483 -6.261 7.637 ATOM 4072 HA ILE A 280 62.817 -6.280 8.492 ATOM 4073 CB ILE A 280 62.628 -5.968 6.391 @@ -4079,26 +4079,26 @@ ATOM 4076 HG21 ILE A 280 61.121 -6.943 5.159 ATOM 4077 HG22 ILE A 280 61.053 -7.381 6.903 ATOM 4078 HG23 ILE A 280 62.349 -8.059 5.854 ATOM 4079 CG1 ILE A 280 61.773 -4.720 6.617 -ATOM 4080 HG11 ILE A 280 60.991 -4.854 7.394 +ATOM 4080 HG13 ILE A 280 60.991 -4.854 7.394 ATOM 4081 HG12 ILE A 280 62.359 -3.835 6.944 ATOM 4082 CD1 ILE A 280 61.034 -4.270 5.390 -ATOM 4083 HD1 ILE A 280 60.413 -3.364 5.554 -ATOM 4084 HD2 ILE A 280 60.333 -5.033 4.990 -ATOM 4085 HD3 ILE A 280 61.701 -4.014 4.539 +ATOM 4083 HD11 ILE A 280 60.413 -3.364 5.554 +ATOM 4084 HD12 ILE A 280 60.333 -5.033 4.990 +ATOM 4085 HD13 ILE A 280 61.701 -4.014 4.539 ATOM 4086 C ILE A 280 64.160 -7.624 7.555 ATOM 4087 O ILE A 280 63.686 -8.602 8.146 ATOM 4088 N ARG A 281 65.283 -7.708 6.835 -ATOM 4089 HN ARG A 281 65.606 -6.911 6.327 +ATOM 4089 H ARG A 281 65.606 -6.911 6.327 ATOM 4090 CA ARG A 281 66.042 -8.955 6.784 ATOM 4091 HA ARG A 281 65.404 -9.725 6.365 ATOM 4092 CB ARG A 281 67.267 -8.790 5.886 -ATOM 4093 HB1 ARG A 281 67.816 -7.839 6.055 +ATOM 4093 HB3 ARG A 281 67.816 -7.839 6.055 ATOM 4094 HB2 ARG A 281 68.026 -9.590 6.019 ATOM 4095 CG ARG A 281 66.939 -8.799 4.406 -ATOM 4096 HG1 ARG A 281 66.366 -9.704 4.112 +ATOM 4096 HG3 ARG A 281 66.366 -9.704 4.112 ATOM 4097 HG2 ARG A 281 66.326 -7.921 4.110 ATOM 4098 CD ARG A 281 68.192 -8.772 3.544 -ATOM 4099 HD1 ARG A 281 68.934 -9.526 3.884 +ATOM 4099 HD3 ARG A 281 68.934 -9.526 3.884 ATOM 4100 HD2 ARG A 281 68.687 -7.778 3.579 ATOM 4101 NE ARG A 281 67.883 -9.059 2.146 ATOM 4102 HE ARG A 281 67.514 -9.961 1.925 @@ -4112,14 +4112,14 @@ ATOM 4109 HH22 ARG A 281 67.379 -9.454 -0.280 ATOM 4110 C ARG A 281 66.457 -9.401 8.180 ATOM 4111 O ARG A 281 66.400 -10.594 8.502 ATOM 4112 N GLU A 282 66.869 -8.450 9.022 -ATOM 4113 HN GLU A 282 66.973 -7.513 8.691 +ATOM 4113 H GLU A 282 66.973 -7.513 8.691 ATOM 4114 CA GLU A 282 67.170 -8.756 10.417 ATOM 4115 HA GLU A 282 67.966 -9.492 10.439 ATOM 4116 CB GLU A 282 67.630 -7.490 11.139 -ATOM 4117 HB1 GLU A 282 67.178 -6.544 10.772 +ATOM 4117 HB3 GLU A 282 67.178 -6.544 10.772 ATOM 4118 HB2 GLU A 282 67.420 -7.462 12.230 ATOM 4119 CG GLU A 282 69.114 -7.210 11.070 -ATOM 4120 HG1 GLU A 282 69.711 -8.047 11.492 +ATOM 4120 HG3 GLU A 282 69.711 -8.047 11.492 ATOM 4121 HG2 GLU A 282 69.457 -7.059 10.024 ATOM 4122 CD GLU A 282 69.487 -5.962 11.845 ATOM 4123 OE1 GLU A 282 70.309 -5.167 11.342 @@ -4127,7 +4127,7 @@ ATOM 4124 OE2 GLU A 282 68.950 -5.775 12.959 ATOM 4125 C GLU A 282 65.959 -9.350 11.124 ATOM 4126 O GLU A 282 66.061 -10.381 11.797 ATOM 4127 N VAL A 283 64.800 -8.700 10.986 -ATOM 4128 HN VAL A 283 64.760 -7.884 10.411 +ATOM 4128 H VAL A 283 64.760 -7.884 10.411 ATOM 4129 CA VAL A 283 63.591 -9.163 11.662 ATOM 4130 HA VAL A 283 63.797 -9.272 12.721 ATOM 4131 CB VAL A 283 62.464 -8.124 11.502 @@ -4143,7 +4143,7 @@ ATOM 4140 HG23 VAL A 283 63.748 -6.397 11.860 ATOM 4141 C VAL A 283 63.173 -10.530 11.135 ATOM 4142 O VAL A 283 62.796 -11.422 11.906 ATOM 4143 N VAL A 284 63.242 -10.718 9.816 -ATOM 4144 HN VAL A 284 63.574 -9.980 9.231 +ATOM 4144 H VAL A 284 63.574 -9.980 9.231 ATOM 4145 CA VAL A 284 62.840 -11.986 9.215 ATOM 4146 HA VAL A 284 61.838 -12.237 9.544 ATOM 4147 CB VAL A 284 62.814 -11.854 7.681 @@ -4159,17 +4159,17 @@ ATOM 4156 HG23 VAL A 284 61.768 -9.942 7.679 ATOM 4157 C VAL A 284 63.758 -13.114 9.676 ATOM 4158 O VAL A 284 63.297 -14.214 10.005 ATOM 4159 N ARG A 285 65.068 -12.857 9.722 -ATOM 4160 HN ARG A 285 65.407 -11.965 9.425 +ATOM 4160 H ARG A 285 65.407 -11.965 9.425 ATOM 4161 CA ARG A 285 66.010 -13.864 10.201 ATOM 4162 HA ARG A 285 65.821 -14.792 9.673 ATOM 4163 CB ARG A 285 67.442 -13.413 9.914 -ATOM 4164 HB1 ARG A 285 67.726 -13.461 8.841 +ATOM 4164 HB3 ARG A 285 67.726 -13.461 8.841 ATOM 4165 HB2 ARG A 285 67.655 -12.364 10.212 ATOM 4166 CG ARG A 285 68.503 -14.232 10.624 -ATOM 4167 HG1 ARG A 285 69.483 -13.708 10.611 +ATOM 4167 HG3 ARG A 285 69.483 -13.708 10.611 ATOM 4168 HG2 ARG A 285 68.223 -14.410 11.684 ATOM 4169 CD ARG A 285 68.684 -15.582 9.954 -ATOM 4170 HD1 ARG A 285 69.073 -15.480 8.918 +ATOM 4170 HD3 ARG A 285 69.073 -15.480 8.918 ATOM 4171 HD2 ARG A 285 67.727 -16.142 9.888 ATOM 4172 NE ARG A 285 69.625 -16.428 10.683 ATOM 4173 HE ARG A 285 69.969 -16.096 11.560 @@ -4183,11 +4183,11 @@ ATOM 4180 HH22 ARG A 285 71.232 -17.945 11.861 ATOM 4181 C ARG A 285 65.816 -14.133 11.689 ATOM 4182 O ARG A 285 65.794 -15.292 12.124 ATOM 4183 N PHE A 286 65.685 -13.066 12.484 -ATOM 4184 HN PHE A 286 65.793 -12.153 12.093 +ATOM 4184 H PHE A 286 65.793 -12.153 12.093 ATOM 4185 CA PHE A 286 65.389 -13.198 13.908 ATOM 4186 HA PHE A 286 66.223 -13.693 14.393 ATOM 4187 CB PHE A 286 65.199 -11.804 14.516 -ATOM 4188 HB1 PHE A 286 65.946 -11.052 14.184 +ATOM 4188 HB3 PHE A 286 65.946 -11.052 14.184 ATOM 4189 HB2 PHE A 286 64.220 -11.331 14.286 ATOM 4190 CG PHE A 286 65.281 -11.763 16.017 ATOM 4191 CD1 PHE A 286 66.498 -11.574 16.654 @@ -4203,18 +4203,18 @@ ATOM 4200 HE2 PHE A 286 63.306 -11.929 18.767 ATOM 4201 C PHE A 286 64.153 -14.060 14.141 ATOM 4202 O PHE A 286 64.107 -14.856 15.086 ATOM 4203 N GLY A 287 63.143 -13.920 13.280 -ATOM 4204 HN GLY A 287 63.216 -13.266 12.528 +ATOM 4204 H GLY A 287 63.216 -13.266 12.528 ATOM 4205 CA GLY A 287 61.938 -14.717 13.434 -ATOM 4206 HA1 GLY A 287 61.560 -14.730 14.478 +ATOM 4206 HA3 GLY A 287 61.560 -14.730 14.478 ATOM 4207 HA2 GLY A 287 61.095 -14.350 12.810 ATOM 4208 C GLY A 287 62.139 -16.171 13.047 ATOM 4209 O GLY A 287 61.650 -17.074 13.731 ATOM 4210 N LEU A 288 62.855 -16.415 11.945 -ATOM 4211 HN LEU A 288 63.226 -15.651 11.418 +ATOM 4211 H LEU A 288 63.226 -15.651 11.418 ATOM 4212 CA LEU A 288 63.102 -17.785 11.501 ATOM 4213 HA LEU A 288 62.147 -18.264 11.319 ATOM 4214 CB LEU A 288 63.908 -17.776 10.200 -ATOM 4215 HB1 LEU A 288 63.401 -17.383 9.293 +ATOM 4215 HB3 LEU A 288 63.401 -17.383 9.293 ATOM 4216 HB2 LEU A 288 64.846 -17.181 10.189 ATOM 4217 CG LEU A 288 64.417 -19.126 9.684 ATOM 4218 HG LEU A 288 64.909 -19.632 10.507 @@ -4229,14 +4229,14 @@ ATOM 4226 HD23 LEU A 288 64.982 -18.385 7.712 ATOM 4227 C LEU A 288 63.828 -18.585 12.575 ATOM 4228 O LEU A 288 63.451 -19.723 12.881 ATOM 4229 N GLU A 289 64.872 -17.996 13.165 -ATOM 4230 HN GLU A 289 65.148 -17.082 12.870 +ATOM 4230 H GLU A 289 65.148 -17.082 12.870 ATOM 4231 CA GLU A 289 65.618 -18.657 14.230 ATOM 4232 HA GLU A 289 66.021 -19.571 13.809 ATOM 4233 CB GLU A 289 66.749 -17.751 14.719 -ATOM 4234 HB1 GLU A 289 66.433 -16.729 15.020 +ATOM 4234 HB3 GLU A 289 66.433 -16.729 15.020 ATOM 4235 HB2 GLU A 289 67.297 -18.126 15.610 ATOM 4236 CG GLU A 289 67.848 -17.499 13.706 -ATOM 4237 HG1 GLU A 289 68.453 -18.410 13.511 +ATOM 4237 HG3 GLU A 289 68.453 -18.410 13.511 ATOM 4238 HG2 GLU A 289 67.444 -17.167 12.726 ATOM 4239 CD GLU A 289 68.812 -16.426 14.167 ATOM 4240 OE1 GLU A 289 68.502 -15.736 15.162 @@ -4244,17 +4244,17 @@ ATOM 4241 OE2 GLU A 289 69.879 -16.270 13.537 ATOM 4242 C GLU A 289 64.738 -19.037 15.411 ATOM 4243 O GLU A 289 65.091 -19.950 16.165 ATOM 4244 N ARG A 290 63.607 -18.357 15.593 -ATOM 4245 HN ARG A 290 63.362 -17.648 14.933 +ATOM 4245 H ARG A 290 63.362 -17.648 14.933 ATOM 4246 CA ARG A 290 62.715 -18.607 16.715 ATOM 4247 HA ARG A 290 63.198 -19.325 17.368 ATOM 4248 CB ARG A 290 62.474 -17.305 17.483 -ATOM 4249 HB1 ARG A 290 62.275 -16.447 16.805 +ATOM 4249 HB3 ARG A 290 62.275 -16.447 16.805 ATOM 4250 HB2 ARG A 290 61.602 -17.376 18.168 ATOM 4251 CG ARG A 290 63.668 -16.912 18.340 -ATOM 4252 HG1 ARG A 290 63.625 -17.332 19.367 +ATOM 4252 HG3 ARG A 290 63.625 -17.332 19.367 ATOM 4253 HG2 ARG A 290 64.638 -17.252 17.919 ATOM 4254 CD ARG A 290 63.805 -15.411 18.519 -ATOM 4255 HD1 ARG A 290 62.965 -15.009 19.125 +ATOM 4255 HD3 ARG A 290 62.965 -15.009 19.125 ATOM 4256 HD2 ARG A 290 63.801 -14.896 17.535 ATOM 4257 NE ARG A 290 65.056 -15.084 19.200 ATOM 4258 HE ARG A 290 65.038 -14.999 20.195 @@ -4268,14 +4268,14 @@ ATOM 4265 HH22 ARG A 290 67.253 -14.540 20.272 ATOM 4266 C ARG A 290 61.398 -19.238 16.283 ATOM 4267 O ARG A 290 60.441 -19.254 17.065 ATOM 4268 N GLY A 291 61.333 -19.773 15.064 -ATOM 4269 HN GLY A 291 62.130 -19.718 14.464 +ATOM 4269 H GLY A 291 62.130 -19.718 14.464 ATOM 4270 CA GLY A 291 60.134 -20.433 14.588 -ATOM 4271 HA1 GLY A 291 60.257 -21.010 13.647 +ATOM 4271 HA3 GLY A 291 60.257 -21.010 13.647 ATOM 4272 HA2 GLY A 291 59.696 -21.176 15.289 ATOM 4273 C GLY A 291 58.975 -19.513 14.285 ATOM 4274 O GLY A 291 57.823 -19.952 14.326 ATOM 4275 N VAL A 292 59.244 -18.250 13.970 -ATOM 4276 HN VAL A 292 60.199 -17.973 13.879 +ATOM 4276 H VAL A 292 60.199 -17.973 13.879 ATOM 4277 CA VAL A 292 58.204 -17.253 13.752 ATOM 4278 HA VAL A 292 57.240 -17.687 13.993 ATOM 4279 CB VAL A 292 58.379 -16.039 14.674 @@ -4291,17 +4291,17 @@ ATOM 4288 HG23 VAL A 292 58.932 -17.227 16.400 ATOM 4289 C VAL A 292 58.230 -16.837 12.288 ATOM 4290 O VAL A 292 59.239 -16.317 11.797 ATOM 4291 N ARG A 293 57.118 -17.067 11.596 -ATOM 4292 HN ARG A 293 56.367 -17.552 12.042 +ATOM 4292 H ARG A 293 56.367 -17.552 12.042 ATOM 4293 CA ARG A 293 56.953 -16.640 10.214 ATOM 4294 HA ARG A 293 57.878 -16.769 9.664 ATOM 4295 CB ARG A 293 55.882 -17.498 9.537 -ATOM 4296 HB1 ARG A 293 56.241 -18.435 9.060 +ATOM 4296 HB3 ARG A 293 56.241 -18.435 9.060 ATOM 4297 HB2 ARG A 293 55.066 -17.864 10.196 ATOM 4298 CG ARG A 293 55.114 -16.831 8.407 -ATOM 4299 HG1 ARG A 293 55.085 -15.728 8.534 +ATOM 4299 HG3 ARG A 293 55.085 -15.728 8.534 ATOM 4300 HG2 ARG A 293 55.580 -17.042 7.421 ATOM 4301 CD ARG A 293 53.666 -17.327 8.348 -ATOM 4302 HD1 ARG A 293 53.011 -16.681 7.724 +ATOM 4302 HD3 ARG A 293 53.011 -16.681 7.724 ATOM 4303 HD2 ARG A 293 53.182 -17.372 9.347 ATOM 4304 NE ARG A 293 53.546 -18.672 7.788 ATOM 4305 HE ARG A 293 53.768 -18.796 6.822 @@ -4315,7 +4315,7 @@ ATOM 4312 HH22 ARG A 293 53.311 -21.007 6.916 ATOM 4313 C ARG A 293 56.582 -15.159 10.194 ATOM 4314 O ARG A 293 55.622 -14.746 10.854 ATOM 4315 N VAL A 294 57.348 -14.357 9.460 -ATOM 4316 HN VAL A 294 58.115 -14.754 8.958 +ATOM 4316 H VAL A 294 58.115 -14.754 8.958 ATOM 4317 CA VAL A 294 57.112 -12.922 9.359 ATOM 4318 HA VAL A 294 56.555 -12.565 10.218 ATOM 4319 CB VAL A 294 58.420 -12.124 9.378 @@ -4331,11 +4331,11 @@ ATOM 4328 HG23 VAL A 294 59.454 -13.536 10.662 ATOM 4329 C VAL A 294 56.312 -12.695 8.080 ATOM 4330 O VAL A 294 56.854 -12.747 6.972 ATOM 4331 N LEU A 295 55.016 -12.438 8.239 -ATOM 4332 HN LEU A 295 54.678 -12.268 9.164 +ATOM 4332 H LEU A 295 54.678 -12.268 9.164 ATOM 4333 CA LEU A 295 54.060 -12.391 7.134 ATOM 4334 HA LEU A 295 54.506 -12.845 6.257 ATOM 4335 CB LEU A 295 52.798 -13.173 7.512 -ATOM 4336 HB1 LEU A 295 52.830 -14.143 8.053 +ATOM 4336 HB3 LEU A 295 52.830 -14.143 8.053 ATOM 4337 HB2 LEU A 295 52.006 -12.756 8.170 ATOM 4338 CG LEU A 295 51.794 -13.682 6.472 ATOM 4339 HG LEU A 295 52.349 -14.229 5.719 @@ -4351,27 +4351,27 @@ ATOM 4348 C LEU A 295 53.712 -10.947 6.802 ATOM 4349 O LEU A 295 53.050 -10.278 7.612 ATOM 4350 N PRO A 296 54.094 -10.431 5.636 ATOM 4351 CD PRO A 296 54.847 -11.093 4.554 -ATOM 4352 HD1 PRO A 296 54.160 -11.898 4.217 +ATOM 4352 HD3 PRO A 296 54.160 -11.898 4.217 ATOM 4353 HD2 PRO A 296 55.769 -11.449 5.062 ATOM 4354 CA PRO A 296 53.805 -9.031 5.319 ATOM 4355 HA PRO A 296 53.822 -8.395 6.196 ATOM 4356 CB PRO A 296 54.880 -8.687 4.284 -ATOM 4357 HB1 PRO A 296 55.745 -8.377 4.908 +ATOM 4357 HB3 PRO A 296 55.745 -8.377 4.908 ATOM 4358 HB2 PRO A 296 54.413 -7.870 3.693 ATOM 4359 CG PRO A 296 55.067 -9.975 3.541 -ATOM 4360 HG1 PRO A 296 56.104 -10.096 3.160 +ATOM 4360 HG3 PRO A 296 56.104 -10.096 3.160 ATOM 4361 HG2 PRO A 296 54.305 -10.118 2.745 ATOM 4362 C PRO A 296 52.414 -8.849 4.735 ATOM 4363 O PRO A 296 51.850 -9.746 4.104 ATOM 4364 N GLU A 297 51.863 -7.658 4.953 -ATOM 4365 HN GLU A 297 52.345 -7.003 5.534 +ATOM 4365 H GLU A 297 52.345 -7.003 5.534 ATOM 4366 CA GLU A 297 50.582 -7.275 4.375 ATOM 4367 HA GLU A 297 50.289 -8.056 3.682 ATOM 4368 CB GLU A 297 49.484 -7.150 5.436 -ATOM 4369 HB1 GLU A 297 49.204 -8.126 5.887 +ATOM 4369 HB3 GLU A 297 49.204 -8.126 5.887 ATOM 4370 HB2 GLU A 297 49.775 -6.497 6.286 ATOM 4371 CG GLU A 297 48.186 -6.560 4.884 -ATOM 4372 HG1 GLU A 297 48.340 -5.638 4.283 +ATOM 4372 HG3 GLU A 297 48.340 -5.638 4.283 ATOM 4373 HG2 GLU A 297 47.634 -7.255 4.216 ATOM 4374 CD GLU A 297 47.193 -6.171 5.963 ATOM 4375 OE1 GLU A 297 47.429 -6.498 7.145 @@ -4379,11 +4379,11 @@ ATOM 4376 OE2 GLU A 297 46.173 -5.531 5.626 ATOM 4377 C GLU A 297 50.730 -5.945 3.656 ATOM 4378 O GLU A 297 51.294 -4.997 4.211 ATOM 4379 N PHE A 298 50.224 -5.873 2.430 -ATOM 4380 HN PHE A 298 50.019 -6.717 1.936 +ATOM 4380 H PHE A 298 50.019 -6.717 1.936 ATOM 4381 CA PHE A 298 49.960 -4.589 1.788 ATOM 4382 HA PHE A 298 50.381 -3.800 2.401 ATOM 4383 CB PHE A 298 50.633 -4.450 0.432 -ATOM 4384 HB1 PHE A 298 51.731 -4.610 0.483 +ATOM 4384 HB3 PHE A 298 51.731 -4.610 0.483 ATOM 4385 HB2 PHE A 298 50.248 -5.180 -0.312 ATOM 4386 CG PHE A 298 50.435 -3.092 -0.172 ATOM 4387 CD1 PHE A 298 51.219 -2.024 0.233 @@ -4399,11 +4399,11 @@ ATOM 4396 HE2 PHE A 298 48.443 -1.448 -2.357 ATOM 4397 C PHE A 298 48.450 -4.440 1.660 ATOM 4398 O PHE A 298 47.829 -5.021 0.766 ATOM 4399 N ASP A 299 47.875 -3.639 2.550 -ATOM 4400 HN ASP A 299 48.445 -3.190 3.237 +ATOM 4400 H ASP A 299 48.445 -3.190 3.237 ATOM 4401 CA ASP A 299 46.440 -3.395 2.555 ATOM 4402 HA ASP A 299 45.918 -4.344 2.512 ATOM 4403 CB ASP A 299 46.059 -2.664 3.838 -ATOM 4404 HB1 ASP A 299 46.688 -2.961 4.704 +ATOM 4404 HB3 ASP A 299 46.688 -2.961 4.704 ATOM 4405 HB2 ASP A 299 46.160 -1.561 3.750 ATOM 4406 CG ASP A 299 44.635 -2.919 4.252 ATOM 4407 OD1 ASP A 299 43.874 -3.500 3.451 @@ -4411,7 +4411,7 @@ ATOM 4408 OD2 ASP A 299 44.280 -2.540 5.386 ATOM 4409 C ASP A 299 46.029 -2.576 1.335 ATOM 4410 O ASP A 299 46.592 -1.509 1.073 ATOM 4411 N ALA A 300 45.031 -3.068 0.600 -ATOM 4412 HN ALA A 300 44.579 -3.907 0.900 +ATOM 4412 H ALA A 300 44.579 -3.907 0.900 ATOM 4413 CA ALA A 300 44.578 -2.424 -0.626 ATOM 4414 HA ALA A 300 44.592 -1.348 -0.495 ATOM 4415 CB ALA A 300 45.513 -2.758 -1.797 @@ -4422,20 +4422,20 @@ ATOM 4419 C ALA A 300 43.159 -2.888 -0.924 ATOM 4420 O ALA A 300 42.777 -3.989 -0.511 ATOM 4421 N PRO A 301 42.350 -2.082 -1.642 ATOM 4422 CD PRO A 301 41.033 -2.561 -2.102 -ATOM 4423 HD1 PRO A 301 40.430 -2.609 -1.170 +ATOM 4423 HD3 PRO A 301 40.430 -2.609 -1.170 ATOM 4424 HD2 PRO A 301 41.257 -3.548 -2.559 ATOM 4425 CA PRO A 301 42.665 -0.763 -2.208 ATOM 4426 HA PRO A 301 43.730 -0.657 -2.378 ATOM 4427 CB PRO A 301 41.800 -0.721 -3.466 -ATOM 4428 HB1 PRO A 301 42.434 -1.206 -4.239 +ATOM 4428 HB3 PRO A 301 42.434 -1.206 -4.239 ATOM 4429 HB2 PRO A 301 41.623 0.364 -3.629 ATOM 4430 CG PRO A 301 40.587 -1.495 -3.088 -ATOM 4431 HG1 PRO A 301 40.145 -2.025 -3.959 +ATOM 4431 HG3 PRO A 301 40.145 -2.025 -3.959 ATOM 4432 HG2 PRO A 301 39.839 -0.863 -2.564 ATOM 4433 C PRO A 301 42.331 0.416 -1.293 ATOM 4434 O PRO A 301 42.649 1.555 -1.633 ATOM 4435 N ALA A 302 41.681 0.155 -0.166 -ATOM 4436 HN ALA A 302 41.294 -0.754 -0.021 +ATOM 4436 H ALA A 302 41.294 -0.754 -0.021 ATOM 4437 CA ALA A 302 41.524 1.172 0.861 ATOM 4438 HA ALA A 302 41.422 2.154 0.413 ATOM 4439 CB ALA A 302 40.245 0.937 1.661 @@ -4444,25 +4444,25 @@ ATOM 4441 HB2 ALA A 302 39.355 0.973 0.997 ATOM 4442 HB3 ALA A 302 40.270 -0.057 2.157 ATOM 4443 C ALA A 302 42.775 1.165 1.738 ATOM 4444 O ALA A 302 43.743 0.449 1.462 -ATOM 4445 N HSE A 303 42.772 1.970 2.803 -ATOM 4446 HN HSE A 303 41.976 2.552 2.961 -ATOM 4447 CA HSE A 303 43.889 2.034 3.749 -ATOM 4448 HA HSE A 303 43.658 2.807 4.473 -ATOM 4449 CB HSE A 303 44.051 0.712 4.504 -ATOM 4450 HB1 HSE A 303 44.089 -0.180 3.842 -ATOM 4451 HB2 HSE A 303 44.979 0.655 5.113 -ATOM 4452 ND1 HSE A 303 43.158 0.231 6.814 -ATOM 4453 CG HSE A 303 42.941 0.428 5.468 -ATOM 4454 CE1 HSE A 303 42.004 0.002 7.415 -ATOM 4455 HE1 HSE A 303 41.867 -0.191 8.473 -ATOM 4456 NE2 HSE A 303 41.046 0.048 6.508 -ATOM 4457 HE2 HSE A 303 40.072 -0.089 6.685 -ATOM 4458 CD2 HSE A 303 41.605 0.314 5.282 -ATOM 4459 HD2 HSE A 303 41.075 0.414 4.341 -ATOM 4460 C HSE A 303 45.190 2.424 3.050 -ATOM 4461 O HSE A 303 46.258 1.876 3.328 +ATOM 4445 N HIE A 303 42.772 1.970 2.803 +ATOM 4446 H HIE A 303 41.976 2.552 2.961 +ATOM 4447 CA HIE A 303 43.889 2.034 3.749 +ATOM 4448 HA HIE A 303 43.658 2.807 4.473 +ATOM 4449 CB HIE A 303 44.051 0.712 4.504 +ATOM 4450 HB3 HIE A 303 44.089 -0.180 3.842 +ATOM 4451 HB2 HIE A 303 44.979 0.655 5.113 +ATOM 4452 ND1 HIE A 303 43.158 0.231 6.814 +ATOM 4453 CG HIE A 303 42.941 0.428 5.468 +ATOM 4454 CE1 HIE A 303 42.004 0.002 7.415 +ATOM 4455 HE1 HIE A 303 41.867 -0.191 8.473 +ATOM 4456 NE2 HIE A 303 41.046 0.048 6.508 +ATOM 4457 HE2 HIE A 303 40.072 -0.089 6.685 +ATOM 4458 CD2 HIE A 303 41.605 0.314 5.282 +ATOM 4459 HD2 HIE A 303 41.075 0.414 4.341 +ATOM 4460 C HIE A 303 45.190 2.424 3.050 +ATOM 4461 O HIE A 303 46.258 1.876 3.328 ATOM 4462 N VAL A 304 45.094 3.364 2.110 -ATOM 4463 HN VAL A 304 44.185 3.671 1.832 +ATOM 4463 H VAL A 304 44.185 3.671 1.832 ATOM 4464 CA VAL A 304 46.257 3.962 1.472 ATOM 4465 HA VAL A 304 47.149 3.604 1.974 ATOM 4466 CB VAL A 304 46.412 3.549 -0.009 @@ -4478,21 +4478,21 @@ ATOM 4475 HG23 VAL A 304 45.203 5.179 -0.773 ATOM 4476 C VAL A 304 46.127 5.473 1.591 ATOM 4477 O VAL A 304 45.040 6.012 1.816 ATOM 4478 N GLY A 305 47.258 6.155 1.441 -ATOM 4479 HN GLY A 305 48.110 5.668 1.257 +ATOM 4479 H GLY A 305 48.110 5.668 1.257 ATOM 4480 CA GLY A 305 47.263 7.598 1.542 -ATOM 4481 HA1 GLY A 305 46.689 8.093 0.730 +ATOM 4481 HA3 GLY A 305 46.689 8.093 0.730 ATOM 4482 HA2 GLY A 305 46.820 7.969 2.491 ATOM 4483 C GLY A 305 48.653 8.191 1.480 ATOM 4484 O GLY A 305 49.159 8.488 0.391 ATOM 4485 N GLU A 306 49.278 8.369 2.644 -ATOM 4486 HN GLU A 306 48.825 8.094 3.491 +ATOM 4486 H GLU A 306 48.825 8.094 3.491 ATOM 4487 CA GLU A 306 50.609 8.957 2.704 ATOM 4488 HA GLU A 306 50.559 9.962 2.300 ATOM 4489 CB GLU A 306 51.088 9.024 4.155 -ATOM 4490 HB1 GLU A 306 50.914 8.094 4.737 +ATOM 4490 HB3 GLU A 306 50.914 8.094 4.737 ATOM 4491 HB2 GLU A 306 52.176 9.218 4.268 ATOM 4492 CG GLU A 306 50.426 10.111 4.981 -ATOM 4493 HG1 GLU A 306 49.318 10.105 4.899 +ATOM 4493 HG3 GLU A 306 49.318 10.105 4.899 ATOM 4494 HG2 GLU A 306 50.648 10.028 6.066 ATOM 4495 CD GLU A 306 50.860 11.509 4.579 ATOM 4496 OE1 GLU A 306 50.155 12.474 4.943 @@ -4500,18 +4500,18 @@ ATOM 4497 OE2 GLU A 306 51.907 11.644 3.907 ATOM 4498 C GLU A 306 51.590 8.150 1.868 ATOM 4499 O GLU A 306 51.611 6.918 1.928 ATOM 4500 N GLY A 307 52.400 8.858 1.082 -ATOM 4501 HN GLY A 307 52.343 9.855 1.119 +ATOM 4501 H GLY A 307 52.343 9.855 1.119 ATOM 4502 CA GLY A 307 53.353 8.261 0.182 -ATOM 4503 HA1 GLY A 307 54.351 8.749 0.187 +ATOM 4503 HA3 GLY A 307 54.351 8.749 0.187 ATOM 4504 HA2 GLY A 307 53.568 7.191 0.391 ATOM 4505 C GLY A 307 52.931 8.283 -1.272 ATOM 4506 O GLY A 307 53.792 8.264 -2.158 ATOM 4507 N TRP A 308 51.630 8.330 -1.536 -ATOM 4508 HN TRP A 308 50.987 8.393 -0.774 +ATOM 4508 H TRP A 308 50.987 8.393 -0.774 ATOM 4509 CA TRP A 308 51.107 8.293 -2.894 ATOM 4510 HA TRP A 308 51.852 7.794 -3.502 ATOM 4511 CB TRP A 308 49.788 7.517 -2.921 -ATOM 4512 HB1 TRP A 308 49.048 7.900 -2.186 +ATOM 4512 HB3 TRP A 308 49.048 7.900 -2.186 ATOM 4513 HB2 TRP A 308 49.285 7.558 -3.911 ATOM 4514 CG TRP A 308 49.963 6.071 -2.610 ATOM 4515 CD1 TRP A 308 49.906 5.480 -1.379 @@ -4531,14 +4531,14 @@ ATOM 4528 HH2 TRP A 308 50.978 1.658 -5.287 ATOM 4529 C TRP A 308 50.902 9.674 -3.494 ATOM 4530 O TRP A 308 50.374 9.777 -4.605 ATOM 4531 N GLN A 309 51.299 10.730 -2.787 -ATOM 4532 HN GLN A 309 51.695 10.593 -1.880 +ATOM 4532 H GLN A 309 51.695 10.593 -1.880 ATOM 4533 CA GLN A 309 51.166 12.083 -3.314 ATOM 4534 HA GLN A 309 50.115 12.278 -3.496 ATOM 4535 CB GLN A 309 51.684 13.103 -2.299 -ATOM 4536 HB1 GLN A 309 52.709 12.897 -1.924 +ATOM 4536 HB3 GLN A 309 52.709 12.897 -1.924 ATOM 4537 HB2 GLN A 309 51.740 14.144 -2.682 ATOM 4538 CG GLN A 309 50.841 13.217 -1.035 -ATOM 4539 HG1 GLN A 309 50.767 14.261 -0.664 +ATOM 4539 HG3 GLN A 309 50.767 14.261 -0.664 ATOM 4540 HG2 GLN A 309 49.797 12.867 -1.185 ATOM 4541 CD GLN A 309 51.400 12.398 0.116 ATOM 4542 OE1 GLN A 309 52.028 11.360 -0.095 @@ -4548,11 +4548,11 @@ ATOM 4545 HE22 GLN A 309 50.672 13.708 1.511 ATOM 4546 C GLN A 309 51.920 12.219 -4.632 ATOM 4547 O GLN A 309 52.980 11.615 -4.825 ATOM 4548 N ASP A 310 51.348 13.006 -5.545 -ATOM 4549 HN ASP A 310 50.463 13.406 -5.312 +ATOM 4549 H ASP A 310 50.463 13.406 -5.312 ATOM 4550 CA ASP A 310 51.904 13.334 -6.858 ATOM 4551 HA ASP A 310 51.237 14.092 -7.252 ATOM 4552 CB ASP A 310 53.328 13.899 -6.757 -ATOM 4553 HB1 ASP A 310 54.051 13.159 -6.353 +ATOM 4553 HB3 ASP A 310 54.051 13.159 -6.353 ATOM 4554 HB2 ASP A 310 53.729 14.220 -7.742 ATOM 4555 CG ASP A 310 53.408 15.105 -5.854 ATOM 4556 OD1 ASP A 310 52.415 15.864 -5.793 @@ -4560,7 +4560,7 @@ ATOM 4557 OD2 ASP A 310 54.459 15.295 -5.209 ATOM 4558 C ASP A 310 51.909 12.161 -7.829 ATOM 4559 O ASP A 310 52.518 12.263 -8.903 ATOM 4560 N THR A 311 51.254 11.048 -7.495 -ATOM 4561 HN THR A 311 50.848 10.972 -6.585 +ATOM 4561 H THR A 311 50.848 10.972 -6.585 ATOM 4562 CA THR A 311 51.120 9.940 -8.433 ATOM 4563 HA THR A 311 51.917 10.076 -9.155 ATOM 4564 CB THR A 311 51.261 8.590 -7.711 @@ -4574,11 +4574,11 @@ ATOM 4571 HG23 THR A 311 53.416 8.741 -7.419 ATOM 4572 C THR A 311 49.794 9.941 -9.177 ATOM 4573 O THR A 311 49.707 9.320 -10.241 ATOM 4574 N ASP A 312 48.771 10.618 -8.643 -ATOM 4575 HN ASP A 312 48.942 11.172 -7.830 +ATOM 4575 H ASP A 312 48.942 11.172 -7.830 ATOM 4576 CA ASP A 312 47.412 10.587 -9.192 ATOM 4577 HA ASP A 312 46.794 11.190 -8.537 ATOM 4578 CB ASP A 312 47.354 11.203 -10.594 -ATOM 4579 HB1 ASP A 312 48.037 12.072 -10.708 +ATOM 4579 HB3 ASP A 312 48.037 12.072 -10.708 ATOM 4580 HB2 ASP A 312 47.637 10.481 -11.390 ATOM 4581 CG ASP A 312 45.969 11.706 -10.953 ATOM 4582 OD1 ASP A 312 45.413 11.243 -11.972 @@ -4586,11 +4586,11 @@ ATOM 4583 OD2 ASP A 312 45.434 12.561 -10.217 ATOM 4584 C ASP A 312 46.845 9.170 -9.204 ATOM 4585 O ASP A 312 45.946 8.851 -9.989 ATOM 4586 N LEU A 313 47.361 8.310 -8.331 -ATOM 4587 HN LEU A 313 48.079 8.625 -7.712 +ATOM 4587 H LEU A 313 48.079 8.625 -7.712 ATOM 4588 CA LEU A 313 46.918 6.928 -8.245 ATOM 4589 HA LEU A 313 46.362 6.720 -9.152 ATOM 4590 CB LEU A 313 48.127 5.994 -8.145 -ATOM 4591 HB1 LEU A 313 48.807 6.205 -7.292 +ATOM 4591 HB3 LEU A 313 48.807 6.205 -7.292 ATOM 4592 HB2 LEU A 313 47.874 4.919 -8.022 ATOM 4593 CG LEU A 313 49.052 6.014 -9.362 ATOM 4594 HG LEU A 313 49.354 7.039 -9.545 @@ -4605,7 +4605,7 @@ ATOM 4602 HD23 LEU A 313 47.968 4.472 -10.466 ATOM 4603 C LEU A 313 45.974 6.679 -7.078 ATOM 4604 O LEU A 313 45.503 5.549 -6.914 ATOM 4605 N THR A 314 45.690 7.694 -6.268 -ATOM 4606 HN THR A 314 46.173 8.559 -6.398 +ATOM 4606 H THR A 314 46.173 8.559 -6.398 ATOM 4607 CA THR A 314 44.706 7.600 -5.200 ATOM 4608 HA THR A 314 44.285 6.602 -5.233 ATOM 4609 CB THR A 314 45.342 7.802 -3.815 @@ -4619,7 +4619,7 @@ ATOM 4616 HG23 THR A 314 45.937 5.722 -3.565 ATOM 4617 C THR A 314 43.609 8.635 -5.410 ATOM 4618 O THR A 314 43.736 9.563 -6.213 ATOM 4619 N VAL A 315 42.515 8.455 -4.674 -ATOM 4620 HN VAL A 315 42.439 7.620 -4.130 +ATOM 4620 H VAL A 315 42.439 7.620 -4.130 ATOM 4621 CA VAL A 315 41.425 9.417 -4.624 ATOM 4622 HA VAL A 315 41.770 10.356 -5.042 ATOM 4623 CB VAL A 315 40.212 8.985 -5.486 @@ -4635,21 +4635,21 @@ ATOM 4632 HG23 VAL A 315 39.327 7.712 -3.952 ATOM 4633 C VAL A 315 41.017 9.601 -3.169 ATOM 4634 O VAL A 315 41.219 8.716 -2.331 ATOM 4635 N CYX A 316 40.459 10.777 -2.874 -ATOM 4636 HN CYX A 316 40.412 11.460 -3.601 +ATOM 4636 H CYX A 316 40.412 11.460 -3.601 ATOM 4637 CA CYX A 316 39.911 11.142 -1.569 ATOM 4638 HA CYX A 316 39.459 12.111 -1.746 ATOM 4639 CB CYX A 316 38.849 10.151 -1.077 -ATOM 4640 HB1 CYX A 316 39.204 9.263 -0.512 +ATOM 4640 HB3 CYX A 316 39.204 9.263 -0.512 ATOM 4641 HB2 CYX A 316 38.073 10.539 -0.383 ATOM 4642 SG CYX A 316 37.824 9.368 -2.314 ATOM 4643 C CYX A 316 40.964 11.291 -0.474 ATOM 4644 O CYX A 316 40.608 11.298 0.707 ATOM 4645 N PHE A 317 42.249 11.409 -0.803 -ATOM 4646 HN PHE A 317 42.534 11.376 -1.760 +ATOM 4646 H PHE A 317 42.534 11.376 -1.760 ATOM 4647 CA PHE A 317 43.234 11.588 0.258 ATOM 4648 HA PHE A 317 43.164 10.740 0.929 ATOM 4649 CB PHE A 317 44.655 11.623 -0.300 -ATOM 4650 HB1 PHE A 317 44.912 10.729 -0.907 +ATOM 4650 HB3 PHE A 317 44.912 10.729 -0.907 ATOM 4651 HB2 PHE A 317 44.846 12.493 -0.964 ATOM 4652 CG PHE A 317 45.715 11.697 0.769 ATOM 4653 CD1 PHE A 317 45.697 10.813 1.837 @@ -4665,20 +4665,20 @@ ATOM 4662 HE2 PHE A 317 48.474 13.459 1.637 ATOM 4663 C PHE A 317 42.938 12.867 1.031 ATOM 4664 O PHE A 317 42.855 13.953 0.449 ATOM 4665 N LYS A 318 42.746 12.723 2.344 -ATOM 4666 HN LYS A 318 42.820 11.807 2.735 +ATOM 4666 H LYS A 318 42.820 11.807 2.735 ATOM 4667 CA LYS A 318 42.432 13.837 3.241 ATOM 4668 HA LYS A 318 42.348 13.415 4.236 ATOM 4669 CB LYS A 318 43.551 14.884 3.254 -ATOM 4670 HB1 LYS A 318 44.068 15.006 2.278 +ATOM 4670 HB3 LYS A 318 44.068 15.006 2.278 ATOM 4671 HB2 LYS A 318 43.210 15.908 3.519 ATOM 4672 CG LYS A 318 44.664 14.586 4.240 -ATOM 4673 HG1 LYS A 318 44.555 15.173 5.177 +ATOM 4673 HG3 LYS A 318 44.555 15.173 5.177 ATOM 4674 HG2 LYS A 318 44.684 13.514 4.530 ATOM 4675 CD LYS A 318 46.030 14.916 3.667 -ATOM 4676 HD1 LYS A 318 46.166 14.493 2.649 +ATOM 4676 HD3 LYS A 318 46.166 14.493 2.649 ATOM 4677 HD2 LYS A 318 46.852 14.514 4.297 ATOM 4678 CE LYS A 318 46.251 16.412 3.556 -ATOM 4679 HE1 LYS A 318 46.119 16.919 4.536 +ATOM 4679 HE3 LYS A 318 46.119 16.919 4.536 ATOM 4680 HE2 LYS A 318 45.537 16.879 2.845 ATOM 4681 NZ LYS A 318 47.627 16.730 3.075 ATOM 4682 HZ1 LYS A 318 47.773 17.716 3.002 @@ -4687,7 +4687,7 @@ ATOM 4684 HZ3 LYS A 318 47.802 16.337 2.173 ATOM 4685 C LYS A 318 41.098 14.493 2.896 ATOM 4686 O LYS A 318 40.885 15.675 3.175 ATOM 4687 N ALA A 319 40.189 13.729 2.292 -ATOM 4688 HN ALA A 319 40.405 12.776 2.085 +ATOM 4688 H ALA A 319 40.405 12.776 2.085 ATOM 4689 CA ALA A 319 38.885 14.266 1.930 ATOM 4690 HA ALA A 319 39.035 15.150 1.321 ATOM 4691 CB ALA A 319 38.095 13.240 1.117 @@ -4697,14 +4697,14 @@ ATOM 4694 HB3 ALA A 319 37.944 12.312 1.709 ATOM 4695 C ALA A 319 38.106 14.664 3.178 ATOM 4696 O ALA A 319 38.115 13.958 4.189 ATOM 4697 N GLU A 320 37.434 15.814 3.101 -ATOM 4698 HN GLU A 320 37.463 16.321 2.240 +ATOM 4698 H GLU A 320 37.463 16.321 2.240 ATOM 4699 CA GLU A 320 36.663 16.370 4.198 ATOM 4700 HA GLU A 320 36.669 15.648 5.006 ATOM 4701 CB GLU A 320 37.289 17.682 4.696 -ATOM 4702 HB1 GLU A 320 37.762 18.289 3.895 +ATOM 4702 HB3 GLU A 320 37.762 18.289 3.895 ATOM 4703 HB2 GLU A 320 36.565 18.372 5.181 ATOM 4704 CG GLU A 320 38.386 17.489 5.729 -ATOM 4705 HG1 GLU A 320 39.165 16.774 5.389 +ATOM 4705 HG3 GLU A 320 39.165 16.774 5.389 ATOM 4706 HG2 GLU A 320 38.912 18.438 5.968 ATOM 4707 CD GLU A 320 37.853 16.951 7.041 ATOM 4708 OE1 GLU A 320 38.072 15.756 7.331 @@ -4713,24 +4713,24 @@ ATOM 4710 C GLU A 320 35.224 16.627 3.765 ATOM 4711 O GLU A 320 34.993 17.078 2.637 ATOM 4712 N PRO A 321 34.231 16.345 4.627 ATOM 4713 CD PRO A 321 32.824 16.638 4.299 -ATOM 4714 HD1 PRO A 321 32.670 16.120 3.328 +ATOM 4714 HD3 PRO A 321 32.670 16.120 3.328 ATOM 4715 HD2 PRO A 321 32.795 17.747 4.243 ATOM 4716 CA PRO A 321 34.369 15.759 5.966 ATOM 4717 HA PRO A 321 35.200 16.182 6.519 ATOM 4718 CB PRO A 321 33.004 16.031 6.605 -ATOM 4719 HB1 PRO A 321 33.128 17.015 7.105 +ATOM 4719 HB3 PRO A 321 33.128 17.015 7.105 ATOM 4720 HB2 PRO A 321 32.856 15.181 7.305 ATOM 4721 CG PRO A 321 32.060 16.046 5.458 -ATOM 4722 HG1 PRO A 321 31.191 16.717 5.626 +ATOM 4722 HG3 PRO A 321 31.191 16.717 5.626 ATOM 4723 HG2 PRO A 321 31.759 15.026 5.137 ATOM 4724 C PRO A 321 34.663 14.260 5.915 ATOM 4725 O PRO A 321 33.979 13.533 5.193 ATOM 4726 N TRP A 322 35.665 13.811 6.680 -ATOM 4727 HN TRP A 322 36.089 14.419 7.350 +ATOM 4727 H TRP A 322 36.089 14.419 7.350 ATOM 4728 CA TRP A 322 36.143 12.438 6.542 ATOM 4729 HA TRP A 322 36.403 12.294 5.500 ATOM 4730 CB TRP A 322 37.388 12.212 7.407 -ATOM 4731 HB1 TRP A 322 37.869 11.217 7.290 +ATOM 4731 HB3 TRP A 322 37.869 11.217 7.290 ATOM 4732 HB2 TRP A 322 38.223 12.922 7.226 ATOM 4733 CG TRP A 322 37.162 12.315 8.890 ATOM 4734 CD1 TRP A 322 37.384 13.409 9.675 @@ -4750,20 +4750,20 @@ ATOM 4747 HH2 TRP A 322 35.518 9.193 12.801 ATOM 4748 C TRP A 322 35.067 11.418 6.890 ATOM 4749 O TRP A 322 35.086 10.299 6.364 ATOM 4750 N LYS A 323 34.120 11.780 7.759 -ATOM 4751 HN LYS A 323 34.142 12.693 8.163 +ATOM 4751 H LYS A 323 34.142 12.693 8.163 ATOM 4752 CA LYS A 323 33.054 10.853 8.123 ATOM 4753 HA LYS A 323 33.527 9.958 8.511 ATOM 4754 CB LYS A 323 32.162 11.475 9.196 -ATOM 4755 HB1 LYS A 323 32.386 12.544 9.401 +ATOM 4755 HB3 LYS A 323 32.386 12.544 9.401 ATOM 4756 HB2 LYS A 323 31.080 11.454 8.946 ATOM 4757 CG LYS A 323 32.262 10.791 10.548 -ATOM 4758 HG1 LYS A 323 31.566 9.928 10.621 +ATOM 4758 HG3 LYS A 323 31.566 9.928 10.621 ATOM 4759 HG2 LYS A 323 33.287 10.406 10.736 ATOM 4760 CD LYS A 323 31.922 11.743 11.681 -ATOM 4761 HD1 LYS A 323 30.834 11.967 11.703 +ATOM 4761 HD3 LYS A 323 30.834 11.967 11.703 ATOM 4762 HD2 LYS A 323 32.464 12.706 11.571 ATOM 4763 CE LYS A 323 32.300 11.149 13.028 -ATOM 4764 HE1 LYS A 323 33.333 10.741 13.018 +ATOM 4764 HE3 LYS A 323 33.333 10.741 13.018 ATOM 4765 HE2 LYS A 323 31.619 10.319 13.313 ATOM 4766 NZ LYS A 323 32.235 12.167 14.111 ATOM 4767 HZ1 LYS A 323 32.483 11.777 14.996 @@ -4772,22 +4772,22 @@ ATOM 4769 HZ3 LYS A 323 31.316 12.548 14.201 ATOM 4770 C LYS A 323 32.211 10.436 6.925 ATOM 4771 O LYS A 323 31.607 9.358 6.951 ATOM 4772 N SER A 324 32.163 11.254 5.872 -ATOM 4773 HN SER A 324 32.674 12.112 5.898 +ATOM 4773 H SER A 324 32.674 12.112 5.898 ATOM 4774 CA SER A 324 31.384 10.927 4.685 ATOM 4775 HA SER A 324 30.518 10.374 5.030 ATOM 4776 CB SER A 324 30.956 12.211 3.969 -ATOM 4777 HB1 SER A 324 31.835 12.804 3.636 +ATOM 4777 HB3 SER A 324 31.835 12.804 3.636 ATOM 4778 HB2 SER A 324 30.344 11.990 3.068 ATOM 4779 OG SER A 324 30.180 13.043 4.814 -ATOM 4780 HG1 SER A 324 29.910 13.853 4.363 +ATOM 4780 HG SER A 324 29.910 13.853 4.363 ATOM 4781 C SER A 324 32.132 10.033 3.704 ATOM 4782 O SER A 324 31.525 9.579 2.727 ATOM 4783 N TYR A 325 33.418 9.759 3.933 -ATOM 4784 HN TYR A 325 33.832 10.030 4.801 +ATOM 4784 H TYR A 325 33.832 10.030 4.801 ATOM 4785 CA TYR A 325 34.227 9.071 2.937 ATOM 4786 HA TYR A 325 33.501 8.637 2.259 ATOM 4787 CB TYR A 325 35.159 10.067 2.228 -ATOM 4788 HB1 TYR A 325 35.861 10.587 2.914 +ATOM 4788 HB3 TYR A 325 35.861 10.587 2.914 ATOM 4789 HB2 TYR A 325 35.806 9.600 1.455 ATOM 4790 CG TYR A 325 34.428 11.174 1.507 ATOM 4791 CD1 TYR A 325 33.901 10.972 0.237 @@ -4804,17 +4804,17 @@ ATOM 4801 HE2 TYR A 325 33.472 14.402 1.918 ATOM 4802 C TYR A 325 35.070 7.914 3.456 ATOM 4803 O TYR A 325 35.582 7.150 2.631 ATOM 4804 N CYX A 326 35.250 7.757 4.767 -ATOM 4805 HN CYX A 326 34.812 8.382 5.412 +ATOM 4805 H CYX A 326 34.812 8.382 5.412 ATOM 4806 CA CYX A 326 36.089 6.668 5.257 ATOM 4807 HA CYX A 326 35.860 5.779 4.681 ATOM 4808 CB CYX A 326 37.581 6.966 5.053 -ATOM 4809 HB1 CYX A 326 38.282 6.169 5.381 +ATOM 4809 HB3 CYX A 326 38.282 6.169 5.381 ATOM 4810 HB2 CYX A 326 37.898 7.148 4.004 ATOM 4811 SG CYX A 326 38.213 8.417 5.909 ATOM 4812 C CYX A 326 35.785 6.401 6.724 ATOM 4813 O CYX A 326 35.083 7.166 7.389 ATOM 4814 N VAL A 327 36.339 5.290 7.218 -ATOM 4815 HN VAL A 327 36.946 4.749 6.638 +ATOM 4815 H VAL A 327 36.946 4.749 6.638 ATOM 4816 CA VAL A 327 36.079 4.848 8.584 ATOM 4817 HA VAL A 327 35.022 4.957 8.798 ATOM 4818 CB VAL A 327 36.450 3.358 8.725 @@ -4830,14 +4830,14 @@ ATOM 4827 HG23 VAL A 327 35.669 2.795 6.772 ATOM 4828 C VAL A 327 36.822 5.717 9.592 ATOM 4829 O VAL A 327 36.313 5.980 10.690 ATOM 4830 N GLU A 328 38.021 6.184 9.247 -ATOM 4831 HN GLU A 328 38.393 5.948 8.350 +ATOM 4831 H GLU A 328 38.393 5.948 8.350 ATOM 4832 CA GLU A 328 38.806 7.027 10.136 ATOM 4833 HA GLU A 328 38.133 7.655 10.709 ATOM 4834 CB GLU A 328 39.611 6.192 11.143 -ATOM 4835 HB1 GLU A 328 40.011 6.774 12.000 +ATOM 4835 HB3 GLU A 328 40.011 6.774 12.000 ATOM 4836 HB2 GLU A 328 39.035 5.368 11.615 ATOM 4837 CG GLU A 328 40.827 5.510 10.552 -ATOM 4838 HG1 GLU A 328 40.590 4.930 9.635 +ATOM 4838 HG3 GLU A 328 40.590 4.930 9.635 ATOM 4839 HG2 GLU A 328 41.624 6.228 10.264 ATOM 4840 CD GLU A 328 41.473 4.531 11.511 ATOM 4841 OE1 GLU A 328 42.717 4.452 11.520 @@ -4846,58 +4846,58 @@ ATOM 4843 C GLU A 328 39.736 7.888 9.297 ATOM 4844 O GLU A 328 40.179 7.456 8.226 ATOM 4845 N PRO A 329 40.044 9.106 9.746 ATOM 4846 CD PRO A 329 39.602 9.755 10.994 -ATOM 4847 HD1 PRO A 329 39.858 9.009 11.776 +ATOM 4847 HD3 PRO A 329 39.858 9.009 11.776 ATOM 4848 HD2 PRO A 329 38.513 9.907 10.833 ATOM 4849 CA PRO A 329 40.916 9.970 8.957 ATOM 4850 HA PRO A 329 40.668 9.983 7.902 ATOM 4851 CB PRO A 329 40.748 11.346 9.622 -ATOM 4852 HB1 PRO A 329 39.918 11.818 9.053 +ATOM 4852 HB3 PRO A 329 39.918 11.818 9.053 ATOM 4853 HB2 PRO A 329 41.737 11.833 9.481 ATOM 4854 CG PRO A 329 40.418 11.022 11.036 -ATOM 4855 HG1 PRO A 329 39.770 11.789 11.511 +ATOM 4855 HG3 PRO A 329 39.770 11.789 11.511 ATOM 4856 HG2 PRO A 329 41.319 10.788 11.643 ATOM 4857 C PRO A 329 42.359 9.489 9.034 ATOM 4858 O PRO A 329 42.773 8.901 10.044 ATOM 4859 N PRO A 330 43.155 9.717 7.979 ATOM 4860 CD PRO A 330 44.596 9.400 7.979 -ATOM 4861 HD1 PRO A 330 44.618 8.297 8.107 +ATOM 4861 HD3 PRO A 330 44.618 8.297 8.107 ATOM 4862 HD2 PRO A 330 44.987 9.977 8.844 ATOM 4863 CA PRO A 330 42.745 10.378 6.738 ATOM 4864 HA PRO A 330 41.998 11.144 6.913 ATOM 4865 CB PRO A 330 44.066 10.905 6.181 -ATOM 4866 HB1 PRO A 330 44.173 11.901 6.661 +ATOM 4866 HB3 PRO A 330 44.173 11.901 6.661 ATOM 4867 HB2 PRO A 330 43.893 10.935 5.084 ATOM 4868 CG PRO A 330 45.064 9.890 6.626 -ATOM 4869 HG1 PRO A 330 46.073 10.328 6.785 +ATOM 4869 HG3 PRO A 330 46.073 10.328 6.785 ATOM 4870 HG2 PRO A 330 45.088 8.999 5.963 ATOM 4871 C PRO A 330 42.092 9.423 5.748 ATOM 4872 O PRO A 330 42.452 8.246 5.699 ATOM 4873 N CYX A 331 41.133 9.924 4.973 -ATOM 4874 HN CYX A 331 40.809 10.857 5.123 +ATOM 4874 H CYX A 331 40.809 10.857 5.123 ATOM 4875 CA CYX A 331 40.557 9.119 3.911 ATOM 4876 HA CYX A 331 40.302 8.146 4.314 ATOM 4877 CB CYX A 331 39.275 9.758 3.379 -ATOM 4878 HB1 CYX A 331 39.387 10.788 2.977 +ATOM 4878 HB3 CYX A 331 39.387 10.788 2.977 ATOM 4879 HB2 CYX A 331 38.784 9.216 2.543 ATOM 4880 SG CYX A 331 37.935 9.938 4.589 ATOM 4881 C CYX A 331 41.574 8.936 2.786 ATOM 4882 O CYX A 331 42.614 9.599 2.731 ATOM 4883 N GLY A 332 41.262 8.017 1.878 -ATOM 4884 HN GLY A 332 40.403 7.514 1.962 +ATOM 4884 H GLY A 332 40.403 7.514 1.962 ATOM 4885 CA GLY A 332 42.148 7.733 0.768 -ATOM 4886 HA1 GLY A 332 41.941 8.363 -0.123 +ATOM 4886 HA3 GLY A 332 41.941 8.363 -0.123 ATOM 4887 HA2 GLY A 332 43.218 7.900 1.015 ATOM 4888 C GLY A 332 42.054 6.301 0.290 ATOM 4889 O GLY A 332 42.091 5.365 1.093 ATOM 4890 N GLN A 333 41.917 6.120 -1.023 -ATOM 4891 HN GLN A 333 41.862 6.922 -1.616 +ATOM 4891 H GLN A 333 41.862 6.922 -1.616 ATOM 4892 CA GLN A 333 41.844 4.797 -1.626 ATOM 4893 HA GLN A 333 42.307 4.093 -0.944 ATOM 4894 CB GLN A 333 40.394 4.339 -1.844 -ATOM 4895 HB1 GLN A 333 39.801 4.984 -2.528 +ATOM 4895 HB3 GLN A 333 39.801 4.984 -2.528 ATOM 4896 HB2 GLN A 333 40.289 3.323 -2.281 ATOM 4897 CG GLN A 333 39.553 4.279 -0.585 -ATOM 4898 HG1 GLN A 333 40.041 3.695 0.225 +ATOM 4898 HG3 GLN A 333 40.041 3.695 0.225 ATOM 4899 HG2 GLN A 333 39.347 5.286 -0.162 ATOM 4900 CD GLN A 333 38.206 3.635 -0.819 ATOM 4901 OE1 GLN A 333 37.663 2.973 0.064 @@ -4907,11 +4907,11 @@ ATOM 4904 HE22 GLN A 333 38.098 4.362 -2.731 ATOM 4905 C GLN A 333 42.580 4.815 -2.956 ATOM 4906 O GLN A 333 42.729 5.862 -3.591 ATOM 4907 N LEU A 334 43.036 3.638 -3.377 -ATOM 4908 HN LEU A 334 42.952 2.835 -2.789 +ATOM 4908 H LEU A 334 42.952 2.835 -2.789 ATOM 4909 CA LEU A 334 43.655 3.511 -4.685 ATOM 4910 HA LEU A 334 44.415 4.278 -4.777 ATOM 4911 CB LEU A 334 44.321 2.143 -4.834 -ATOM 4912 HB1 LEU A 334 43.681 1.245 -4.696 +ATOM 4912 HB3 LEU A 334 43.681 1.245 -4.696 ATOM 4913 HB2 LEU A 334 44.792 1.908 -5.812 ATOM 4914 CG LEU A 334 45.474 1.814 -3.882 ATOM 4915 HG LEU A 334 45.104 1.877 -2.865 @@ -4926,11 +4926,11 @@ ATOM 4923 HD23 LEU A 334 47.000 2.808 -5.076 ATOM 4924 C LEU A 334 42.618 3.710 -5.785 ATOM 4925 O LEU A 334 41.429 3.429 -5.608 ATOM 4926 N ASN A 335 43.079 4.221 -6.928 -ATOM 4927 HN ASN A 335 44.031 4.519 -6.973 +ATOM 4927 H ASN A 335 44.031 4.519 -6.973 ATOM 4928 CA ASN A 335 42.243 4.359 -8.112 ATOM 4929 HA ASN A 335 41.200 4.416 -7.824 ATOM 4930 CB ASN A 335 42.571 5.651 -8.868 -ATOM 4931 HB1 ASN A 335 42.586 6.545 -8.208 +ATOM 4931 HB3 ASN A 335 42.586 6.545 -8.208 ATOM 4932 HB2 ASN A 335 43.565 5.621 -9.363 ATOM 4933 CG ASN A 335 41.565 5.963 -9.971 ATOM 4934 OD1 ASN A 335 40.972 5.065 -10.569 @@ -4941,20 +4941,20 @@ ATOM 4938 C ASN A 335 42.477 3.141 -8.995 ATOM 4939 O ASN A 335 43.480 3.094 -9.724 ATOM 4940 N PRO A 336 41.596 2.137 -8.973 ATOM 4941 CD PRO A 336 40.328 2.084 -8.225 -ATOM 4942 HD1 PRO A 336 39.775 2.979 -8.582 +ATOM 4942 HD3 PRO A 336 39.775 2.979 -8.582 ATOM 4943 HD2 PRO A 336 40.648 2.132 -7.162 ATOM 4944 CA PRO A 336 41.862 0.902 -9.729 ATOM 4945 HA PRO A 336 42.888 0.578 -9.597 ATOM 4946 CB PRO A 336 40.818 -0.079 -9.183 -ATOM 4947 HB1 PRO A 336 41.349 -0.667 -8.404 +ATOM 4947 HB3 PRO A 336 41.349 -0.667 -8.404 ATOM 4948 HB2 PRO A 336 40.504 -0.688 -10.058 ATOM 4949 CG PRO A 336 39.728 0.774 -8.637 -ATOM 4950 HG1 PRO A 336 39.272 0.308 -7.738 +ATOM 4950 HG3 PRO A 336 39.272 0.308 -7.738 ATOM 4951 HG2 PRO A 336 38.958 0.978 -9.412 ATOM 4952 C PRO A 336 41.735 1.053 -11.239 ATOM 4953 O PRO A 336 42.052 0.098 -11.959 ATOM 4954 N THR A 337 41.293 2.204 -11.741 -ATOM 4955 HN THR A 337 41.066 2.950 -11.116 +ATOM 4955 H THR A 337 41.066 2.950 -11.116 ATOM 4956 CA THR A 337 41.130 2.408 -13.175 ATOM 4957 HA THR A 337 40.913 1.432 -13.594 ATOM 4958 CB THR A 337 39.976 3.378 -13.449 @@ -4968,20 +4968,20 @@ ATOM 4965 HG23 THR A 337 38.438 2.035 -12.711 ATOM 4966 C THR A 337 42.390 2.927 -13.856 ATOM 4967 O THR A 337 42.396 3.073 -15.083 ATOM 4968 N LYS A 338 43.447 3.211 -13.101 -ATOM 4969 HN LYS A 338 43.375 3.093 -12.112 +ATOM 4969 H LYS A 338 43.375 3.093 -12.112 ATOM 4970 CA LYS A 338 44.706 3.688 -13.659 ATOM 4971 HA LYS A 338 44.525 4.138 -14.628 ATOM 4972 CB LYS A 338 45.325 4.765 -12.769 -ATOM 4973 HB1 LYS A 338 45.559 4.422 -11.739 +ATOM 4973 HB3 LYS A 338 45.559 4.422 -11.739 ATOM 4974 HB2 LYS A 338 46.285 5.172 -13.152 ATOM 4975 CG LYS A 338 44.443 5.989 -12.572 -ATOM 4976 HG1 LYS A 338 43.395 5.785 -12.877 +ATOM 4976 HG3 LYS A 338 43.395 5.785 -12.877 ATOM 4977 HG2 LYS A 338 44.426 6.308 -11.508 ATOM 4978 CD LYS A 338 44.939 7.165 -13.395 -ATOM 4979 HD1 LYS A 338 44.954 6.924 -14.479 +ATOM 4979 HD3 LYS A 338 44.954 6.924 -14.479 ATOM 4980 HD2 LYS A 338 45.971 7.457 -13.105 ATOM 4981 CE LYS A 338 44.051 8.385 -13.211 -ATOM 4982 HE1 LYS A 338 44.647 9.318 -13.120 +ATOM 4982 HE3 LYS A 338 44.647 9.318 -13.120 ATOM 4983 HE2 LYS A 338 43.427 8.306 -12.295 ATOM 4984 NZ LYS A 338 43.121 8.570 -14.360 ATOM 4985 HZ1 LYS A 338 42.537 9.372 -14.239 @@ -4990,11 +4990,11 @@ ATOM 4987 HZ3 LYS A 338 42.517 7.783 -14.479 ATOM 4988 C LYS A 338 45.651 2.502 -13.816 ATOM 4989 O LYS A 338 46.031 1.873 -12.824 ATOM 4990 N ASP A 339 46.026 2.199 -15.062 -ATOM 4991 HN ASP A 339 45.745 2.785 -15.821 +ATOM 4991 H ASP A 339 45.745 2.785 -15.821 ATOM 4992 CA ASP A 339 46.844 1.018 -15.322 ATOM 4993 HA ASP A 339 46.343 0.169 -14.873 ATOM 4994 CB ASP A 339 46.977 0.789 -16.828 -ATOM 4995 HB1 ASP A 339 45.993 0.675 -17.331 +ATOM 4995 HB3 ASP A 339 45.993 0.675 -17.331 ATOM 4996 HB2 ASP A 339 47.493 1.627 -17.343 ATOM 4997 CG ASP A 339 47.768 -0.462 -17.159 ATOM 4998 OD1 ASP A 339 47.216 -1.572 -17.001 @@ -5002,14 +5002,14 @@ ATOM 4999 OD2 ASP A 339 48.941 -0.336 -17.573 ATOM 5000 C ASP A 339 48.222 1.127 -14.682 ATOM 5001 O ASP A 339 48.845 0.103 -14.374 ATOM 5002 N GLU A 340 48.718 2.350 -14.478 -ATOM 5003 HN GLU A 340 48.193 3.152 -14.758 +ATOM 5003 H GLU A 340 48.193 3.152 -14.758 ATOM 5004 CA GLU A 340 50.024 2.521 -13.848 ATOM 5005 HA GLU A 340 50.740 1.925 -14.402 ATOM 5006 CB GLU A 340 50.447 3.988 -13.900 -ATOM 5007 HB1 GLU A 340 50.351 4.451 -14.905 +ATOM 5007 HB3 GLU A 340 50.351 4.451 -14.905 ATOM 5008 HB2 GLU A 340 49.861 4.652 -13.230 ATOM 5009 CG GLU A 340 51.899 4.230 -13.504 -ATOM 5010 HG1 GLU A 340 52.170 3.736 -12.547 +ATOM 5010 HG3 GLU A 340 52.170 3.736 -12.547 ATOM 5011 HG2 GLU A 340 52.619 3.851 -14.261 ATOM 5012 CD GLU A 340 52.218 5.700 -13.322 ATOM 5013 OE1 GLU A 340 53.415 6.045 -13.209 @@ -5017,11 +5017,11 @@ ATOM 5014 OE2 GLU A 340 51.269 6.511 -13.296 ATOM 5015 C GLU A 340 50.022 2.021 -12.408 ATOM 5016 O GLU A 340 51.074 1.635 -11.887 ATOM 5017 N LEU A 341 48.855 2.025 -11.755 -ATOM 5018 HN LEU A 341 48.040 2.370 -12.218 +ATOM 5018 H LEU A 341 48.040 2.370 -12.218 ATOM 5019 CA LEU A 341 48.741 1.538 -10.382 ATOM 5020 HA LEU A 341 49.298 2.203 -9.732 ATOM 5021 CB LEU A 341 47.267 1.531 -9.966 -ATOM 5022 HB1 LEU A 341 46.541 2.313 -10.275 +ATOM 5022 HB3 LEU A 341 46.541 2.313 -10.275 ATOM 5023 HB2 LEU A 341 46.565 0.707 -10.217 ATOM 5024 CG LEU A 341 46.802 1.577 -8.504 ATOM 5025 HG LEU A 341 46.407 2.571 -8.326 @@ -5036,11 +5036,11 @@ ATOM 5033 HD23 LEU A 341 48.467 0.425 -7.615 ATOM 5034 C LEU A 341 49.342 0.146 -10.236 ATOM 5035 O LEU A 341 50.115 -0.121 -9.309 ATOM 5036 N TYR A 342 49.008 -0.754 -11.158 -ATOM 5037 HN TYR A 342 48.457 -0.476 -11.944 +ATOM 5037 H TYR A 342 48.457 -0.476 -11.944 ATOM 5038 CA TYR A 342 49.437 -2.138 -11.032 ATOM 5039 HA TYR A 342 49.316 -2.453 -10.002 ATOM 5040 CB TYR A 342 48.558 -3.006 -11.927 -ATOM 5041 HB1 TYR A 342 48.745 -2.774 -12.997 +ATOM 5041 HB3 TYR A 342 48.745 -2.774 -12.997 ATOM 5042 HB2 TYR A 342 48.774 -4.082 -11.757 ATOM 5043 CG TYR A 342 47.097 -2.759 -11.632 ATOM 5044 CD1 TYR A 342 46.484 -3.362 -10.543 @@ -5057,14 +5057,14 @@ ATOM 5054 HE2 TYR A 342 44.441 -0.953 -12.731 ATOM 5055 C TYR A 342 50.918 -2.316 -11.331 ATOM 5056 O TYR A 342 51.499 -3.333 -10.937 ATOM 5057 N GLN A 343 51.546 -1.348 -12.002 -ATOM 5058 HN GLN A 343 51.018 -0.623 -12.442 +ATOM 5058 H GLN A 343 51.018 -0.623 -12.442 ATOM 5059 CA GLN A 343 53.002 -1.347 -12.094 ATOM 5060 HA GLN A 343 53.334 -2.351 -12.333 ATOM 5061 CB GLN A 343 53.457 -0.408 -13.209 -ATOM 5062 HB1 GLN A 343 52.975 0.592 -13.174 +ATOM 5062 HB3 GLN A 343 52.975 0.592 -13.174 ATOM 5063 HB2 GLN A 343 54.549 -0.201 -13.200 ATOM 5064 CG GLN A 343 53.168 -0.934 -14.605 -ATOM 5065 HG1 GLN A 343 54.033 -1.472 -15.048 +ATOM 5065 HG3 GLN A 343 54.033 -1.472 -15.048 ATOM 5066 HG2 GLN A 343 52.318 -1.649 -14.627 ATOM 5067 CD GLN A 343 52.813 0.168 -15.584 ATOM 5068 OE1 GLN A 343 53.512 1.176 -15.683 @@ -5074,11 +5074,11 @@ ATOM 5071 HE22 GLN A 343 51.152 -0.837 -16.233 ATOM 5072 C GLN A 343 53.630 -0.956 -10.761 ATOM 5073 O GLN A 343 54.665 -1.509 -10.370 ATOM 5074 N TYR A 344 53.018 -0.001 -10.054 -ATOM 5075 HN TYR A 344 52.265 0.511 -10.465 +ATOM 5075 H TYR A 344 52.265 0.511 -10.465 ATOM 5076 CA TYR A 344 53.435 0.305 -8.688 ATOM 5077 HA TYR A 344 54.484 0.578 -8.707 ATOM 5078 CB TYR A 344 52.620 1.478 -8.138 -ATOM 5079 HB1 TYR A 344 51.603 1.596 -8.570 +ATOM 5079 HB3 TYR A 344 51.603 1.596 -8.570 ATOM 5080 HB2 TYR A 344 52.425 1.452 -7.045 ATOM 5081 CG TYR A 344 53.233 2.844 -8.339 ATOM 5082 CD1 TYR A 344 53.255 3.436 -9.594 @@ -5095,11 +5095,11 @@ ATOM 5092 HE2 TYR A 344 54.747 5.344 -6.607 ATOM 5093 C TYR A 344 53.270 -0.911 -7.785 ATOM 5094 O TYR A 344 54.202 -1.302 -7.072 ATOM 5095 N LEU A 345 52.079 -1.520 -7.806 -ATOM 5096 HN LEU A 345 51.369 -1.191 -8.428 +ATOM 5096 H LEU A 345 51.369 -1.191 -8.428 ATOM 5097 CA LEU A 345 51.800 -2.658 -6.934 ATOM 5098 HA LEU A 345 51.939 -2.333 -5.909 ATOM 5099 CB LEU A 345 50.356 -3.123 -7.123 -ATOM 5100 HB1 LEU A 345 50.025 -3.322 -8.165 +ATOM 5100 HB3 LEU A 345 50.025 -3.322 -8.165 ATOM 5101 HB2 LEU A 345 50.063 -4.069 -6.620 ATOM 5102 CG LEU A 345 49.257 -2.178 -6.639 ATOM 5103 HG LEU A 345 49.295 -1.270 -7.230 @@ -5114,14 +5114,14 @@ ATOM 5111 HD23 LEU A 345 49.472 -2.695 -4.533 ATOM 5112 C LEU A 345 52.764 -3.809 -7.187 ATOM 5113 O LEU A 345 53.266 -4.424 -6.239 ATOM 5114 N GLU A 346 53.034 -4.118 -8.459 -ATOM 5115 HN GLU A 346 52.587 -3.619 -9.200 +ATOM 5115 H GLU A 346 52.587 -3.619 -9.200 ATOM 5116 CA GLU A 346 53.983 -5.185 -8.765 ATOM 5117 HA GLU A 346 53.607 -6.098 -8.317 ATOM 5118 CB GLU A 346 54.099 -5.386 -10.276 -ATOM 5119 HB1 GLU A 346 53.129 -5.657 -10.745 +ATOM 5119 HB3 GLU A 346 53.129 -5.657 -10.745 ATOM 5120 HB2 GLU A 346 54.454 -4.473 -10.801 ATOM 5121 CG GLU A 346 55.074 -6.495 -10.643 -ATOM 5122 HG1 GLU A 346 56.113 -6.308 -10.296 +ATOM 5122 HG3 GLU A 346 56.113 -6.308 -10.296 ATOM 5123 HG2 GLU A 346 54.803 -7.485 -10.218 ATOM 5124 CD GLU A 346 55.195 -6.728 -12.135 ATOM 5125 OE1 GLU A 346 54.347 -6.220 -12.899 @@ -5129,11 +5129,11 @@ ATOM 5126 OE2 GLU A 346 56.149 -7.425 -12.540 ATOM 5127 C GLU A 346 55.354 -4.890 -8.171 ATOM 5128 O GLU A 346 56.034 -5.798 -7.677 ATOM 5129 N ASP A 347 55.775 -3.624 -8.204 -ATOM 5130 HN ASP A 347 55.194 -2.918 -8.607 +ATOM 5130 H ASP A 347 55.194 -2.918 -8.607 ATOM 5131 CA ASP A 347 57.078 -3.264 -7.656 ATOM 5132 HA ASP A 347 57.814 -3.967 -8.029 ATOM 5133 CB ASP A 347 57.468 -1.858 -8.113 -ATOM 5134 HB1 ASP A 347 56.640 -1.127 -7.991 +ATOM 5134 HB3 ASP A 347 56.640 -1.127 -7.991 ATOM 5135 HB2 ASP A 347 58.331 -1.451 -7.544 ATOM 5136 CG ASP A 347 57.864 -1.813 -9.578 ATOM 5137 OD1 ASP A 347 58.030 -2.892 -10.183 @@ -5141,7 +5141,7 @@ ATOM 5138 OD2 ASP A 347 58.005 -0.698 -10.122 ATOM 5139 C ASP A 347 57.079 -3.360 -6.135 ATOM 5140 O ASP A 347 58.035 -3.869 -5.537 ATOM 5141 N ILE A 348 56.016 -2.870 -5.490 -ATOM 5142 HN ILE A 348 55.290 -2.418 -6.007 +ATOM 5142 H ILE A 348 55.290 -2.418 -6.007 ATOM 5143 CA ILE A 348 55.902 -2.987 -4.037 ATOM 5144 HA ILE A 348 56.742 -2.476 -3.582 ATOM 5145 CB ILE A 348 54.612 -2.313 -3.536 @@ -5151,20 +5151,20 @@ ATOM 5148 HG21 ILE A 348 53.506 -2.067 -1.681 ATOM 5149 HG22 ILE A 348 55.299 -2.132 -1.482 ATOM 5150 HG23 ILE A 348 54.374 -3.642 -1.833 ATOM 5151 CG1 ILE A 348 54.606 -0.815 -3.846 -ATOM 5152 HG11 ILE A 348 55.331 -0.243 -3.228 +ATOM 5152 HG13 ILE A 348 55.331 -0.243 -3.228 ATOM 5153 HG12 ILE A 348 54.866 -0.591 -4.903 ATOM 5154 CD1 ILE A 348 53.253 -0.167 -3.605 -ATOM 5155 HD1 ILE A 348 53.249 0.921 -3.830 -ATOM 5156 HD2 ILE A 348 52.911 -0.260 -2.552 -ATOM 5157 HD3 ILE A 348 52.445 -0.609 -4.227 +ATOM 5155 HD11 ILE A 348 53.249 0.921 -3.830 +ATOM 5156 HD12 ILE A 348 52.911 -0.260 -2.552 +ATOM 5157 HD13 ILE A 348 52.445 -0.609 -4.227 ATOM 5158 C ILE A 348 55.950 -4.451 -3.620 ATOM 5159 O ILE A 348 56.747 -4.846 -2.761 ATOM 5160 N TYR A 349 55.093 -5.277 -4.231 -ATOM 5161 HN TYR A 349 54.481 -4.920 -4.935 +ATOM 5161 H TYR A 349 54.481 -4.920 -4.935 ATOM 5162 CA TYR A 349 55.040 -6.693 -3.882 ATOM 5163 HA TYR A 349 54.810 -6.767 -2.825 ATOM 5164 CB TYR A 349 53.943 -7.395 -4.686 -ATOM 5165 HB1 TYR A 349 54.055 -7.390 -5.791 +ATOM 5165 HB3 TYR A 349 54.055 -7.390 -5.791 ATOM 5166 HB2 TYR A 349 53.793 -8.477 -4.485 ATOM 5167 CG TYR A 349 52.535 -6.861 -4.524 ATOM 5168 CD1 TYR A 349 52.150 -6.158 -3.390 @@ -5181,22 +5181,22 @@ ATOM 5178 HE2 TYR A 349 49.562 -6.791 -6.168 ATOM 5179 C TYR A 349 56.384 -7.376 -4.120 ATOM 5180 O TYR A 349 56.798 -8.238 -3.335 ATOM 5181 N SER A 350 57.080 -7.001 -5.199 -ATOM 5182 HN SER A 350 56.709 -6.304 -5.811 +ATOM 5182 H SER A 350 56.709 -6.304 -5.811 ATOM 5183 CA SER A 350 58.380 -7.604 -5.489 ATOM 5184 HA SER A 350 58.261 -8.681 -5.460 ATOM 5185 CB SER A 350 58.858 -7.197 -6.884 -ATOM 5186 HB1 SER A 350 58.904 -6.092 -6.989 +ATOM 5186 HB3 SER A 350 58.904 -6.092 -6.989 ATOM 5187 HB2 SER A 350 59.873 -7.596 -7.096 ATOM 5188 OG SER A 350 57.988 -7.686 -7.890 -ATOM 5189 HG1 SER A 350 58.290 -7.429 -8.770 +ATOM 5189 HG SER A 350 58.290 -7.429 -8.770 ATOM 5190 C SER A 350 59.415 -7.220 -4.440 ATOM 5191 O SER A 350 60.210 -8.063 -4.008 ATOM 5192 N ASP A 351 59.425 -5.951 -4.022 -ATOM 5193 HN ASP A 351 58.807 -5.285 -4.438 +ATOM 5193 H ASP A 351 58.807 -5.285 -4.438 ATOM 5194 CA ASP A 351 60.335 -5.534 -2.960 ATOM 5195 HA ASP A 351 61.342 -5.825 -3.238 ATOM 5196 CB ASP A 351 60.289 -4.014 -2.797 -ATOM 5197 HB1 ASP A 351 59.251 -3.621 -2.748 +ATOM 5197 HB3 ASP A 351 59.251 -3.621 -2.748 ATOM 5198 HB2 ASP A 351 60.795 -3.668 -1.870 ATOM 5199 CG ASP A 351 60.963 -3.284 -3.943 ATOM 5200 OD1 ASP A 351 61.806 -3.902 -4.627 @@ -5204,14 +5204,14 @@ ATOM 5201 OD2 ASP A 351 60.652 -2.092 -4.156 ATOM 5202 C ASP A 351 59.999 -6.228 -1.647 ATOM 5203 O ASP A 351 60.897 -6.567 -0.865 ATOM 5204 N MET A 352 58.708 -6.450 -1.388 -ATOM 5205 HN MET A 352 58.011 -6.103 -2.014 +ATOM 5205 H MET A 352 58.011 -6.103 -2.014 ATOM 5206 CA MET A 352 58.305 -7.195 -0.200 ATOM 5207 HA MET A 352 58.780 -6.742 0.663 ATOM 5208 CB MET A 352 56.788 -7.125 -0.022 -ATOM 5209 HB1 MET A 352 56.212 -7.202 -0.969 +ATOM 5209 HB3 MET A 352 56.212 -7.202 -0.969 ATOM 5210 HB2 MET A 352 56.365 -7.927 0.620 ATOM 5211 CG MET A 352 56.291 -5.838 0.613 -ATOM 5212 HG1 MET A 352 56.794 -5.621 1.580 +ATOM 5212 HG3 MET A 352 56.794 -5.621 1.580 ATOM 5213 HG2 MET A 352 56.462 -4.952 -0.035 ATOM 5214 SD MET A 352 54.524 -5.880 0.958 ATOM 5215 CE MET A 352 54.303 -4.303 1.777 @@ -5221,7 +5221,7 @@ ATOM 5218 HE3 MET A 352 54.603 -3.484 1.089 ATOM 5219 C MET A 352 58.764 -8.644 -0.285 ATOM 5220 O MET A 352 59.307 -9.192 0.682 ATOM 5221 N ALA A 353 58.558 -9.280 -1.442 -ATOM 5222 HN ALA A 353 58.133 -8.795 -2.205 +ATOM 5222 H ALA A 353 58.133 -8.795 -2.205 ATOM 5223 CA ALA A 353 58.948 -10.676 -1.601 ATOM 5224 HA ALA A 353 58.470 -11.244 -0.811 ATOM 5225 CB ALA A 353 58.477 -11.203 -2.957 @@ -5231,14 +5231,14 @@ ATOM 5228 HB3 ALA A 353 58.932 -10.608 -3.778 ATOM 5229 C ALA A 353 60.452 -10.863 -1.454 ATOM 5230 O ALA A 353 60.905 -11.929 -1.023 ATOM 5231 N GLU A 354 61.240 -9.840 -1.795 -ATOM 5232 HN GLU A 354 60.834 -8.979 -2.099 +ATOM 5232 H GLU A 354 60.834 -8.979 -2.099 ATOM 5233 CA GLU A 354 62.692 -9.975 -1.725 ATOM 5234 HA GLU A 354 62.964 -10.888 -2.242 ATOM 5235 CB GLU A 354 63.370 -8.790 -2.415 -ATOM 5236 HB1 GLU A 354 63.066 -8.659 -3.476 +ATOM 5236 HB3 GLU A 354 63.066 -8.659 -3.476 ATOM 5237 HB2 GLU A 354 63.157 -7.813 -1.932 ATOM 5238 CG GLU A 354 64.891 -8.892 -2.449 -ATOM 5239 HG1 GLU A 354 65.337 -9.071 -1.447 +ATOM 5239 HG3 GLU A 354 65.337 -9.071 -1.447 ATOM 5240 HG2 GLU A 354 65.257 -9.720 -3.093 ATOM 5241 CD GLU A 354 65.558 -7.636 -2.977 ATOM 5242 OE1 GLU A 354 64.853 -6.625 -3.178 @@ -5246,7 +5246,7 @@ ATOM 5243 OE2 GLU A 354 66.791 -7.660 -3.187 ATOM 5244 C GLU A 354 63.175 -10.096 -0.284 ATOM 5245 O GLU A 354 64.059 -10.908 0.011 ATOM 5246 N VAL A 355 62.610 -9.305 0.627 -ATOM 5247 HN VAL A 355 61.833 -8.733 0.368 +ATOM 5247 H VAL A 355 61.833 -8.733 0.368 ATOM 5248 CA VAL A 355 63.110 -9.262 1.998 ATOM 5249 HA VAL A 355 64.107 -9.687 2.004 ATOM 5250 CB VAL A 355 63.216 -7.812 2.501 @@ -5262,11 +5262,11 @@ ATOM 5259 HG23 VAL A 355 61.074 -7.545 2.770 ATOM 5260 C VAL A 355 62.241 -10.106 2.924 ATOM 5261 O VAL A 355 62.731 -10.643 3.924 ATOM 5262 N PHE A 356 60.950 -10.227 2.613 -ATOM 5263 HN PHE A 356 60.569 -9.668 1.878 +ATOM 5263 H PHE A 356 60.569 -9.668 1.878 ATOM 5264 CA PHE A 356 60.079 -11.164 3.329 ATOM 5265 HA PHE A 356 60.434 -11.262 4.348 ATOM 5266 CB PHE A 356 58.648 -10.638 3.383 -ATOM 5267 HB1 PHE A 356 58.215 -10.383 2.392 +ATOM 5267 HB3 PHE A 356 58.215 -10.383 2.392 ATOM 5268 HB2 PHE A 356 57.914 -11.346 3.825 ATOM 5269 CG PHE A 356 58.477 -9.382 4.192 ATOM 5270 CD1 PHE A 356 58.355 -9.438 5.572 @@ -5282,11 +5282,11 @@ ATOM 5279 HE2 PHE A 356 58.200 -6.027 3.803 ATOM 5280 C PHE A 356 60.130 -12.540 2.657 ATOM 5281 O PHE A 356 59.145 -13.035 2.112 ATOM 5282 N ASP A 357 61.309 -13.161 2.705 -ATOM 5283 HN ASP A 357 62.029 -12.794 3.292 +ATOM 5283 H ASP A 357 62.029 -12.794 3.292 ATOM 5284 CA ASP A 357 61.574 -14.363 1.922 ATOM 5285 HA ASP A 357 60.813 -14.393 1.151 ATOM 5286 CB ASP A 357 62.966 -14.288 1.283 -ATOM 5287 HB1 ASP A 357 63.184 -15.147 0.613 +ATOM 5287 HB3 ASP A 357 63.184 -15.147 0.613 ATOM 5288 HB2 ASP A 357 63.111 -13.378 0.662 ATOM 5289 CG ASP A 357 64.088 -14.270 2.304 ATOM 5290 OD1 ASP A 357 63.811 -14.124 3.512 @@ -5294,7 +5294,7 @@ ATOM 5291 OD2 ASP A 357 65.259 -14.404 1.889 ATOM 5292 C ASP A 357 61.434 -15.657 2.719 ATOM 5293 O ASP A 357 61.851 -16.714 2.236 ATOM 5294 N THR A 358 60.859 -15.607 3.920 -ATOM 5295 HN THR A 358 60.696 -14.721 4.353 +ATOM 5295 H THR A 358 60.696 -14.721 4.353 ATOM 5296 CA THR A 358 60.465 -16.828 4.610 ATOM 5297 HA THR A 358 60.961 -17.635 4.084 ATOM 5298 CB THR A 358 60.915 -16.808 6.080 @@ -5308,7 +5308,7 @@ ATOM 5305 HG23 THR A 358 62.952 -17.472 5.673 ATOM 5306 C THR A 358 58.966 -17.076 4.558 ATOM 5307 O THR A 358 58.527 -18.180 4.898 ATOM 5308 N THR A 359 58.175 -16.094 4.135 -ATOM 5309 HN THR A 359 58.578 -15.248 3.789 +ATOM 5309 H THR A 359 58.578 -15.248 3.789 ATOM 5310 CA THR A 359 56.728 -16.240 4.171 ATOM 5311 HA THR A 359 56.462 -16.704 5.114 ATOM 5312 CB THR A 359 56.037 -14.872 4.102 @@ -5322,11 +5322,11 @@ ATOM 5319 HG23 THR A 359 57.238 -14.080 2.446 ATOM 5320 C THR A 359 56.247 -17.145 3.043 ATOM 5321 O THR A 359 56.769 -17.116 1.925 ATOM 5322 N ASP A 360 55.272 -17.986 3.370 -ATOM 5323 HN ASP A 360 55.002 -18.042 4.330 +ATOM 5323 H ASP A 360 55.002 -18.042 4.330 ATOM 5324 CA ASP A 360 54.575 -18.830 2.412 ATOM 5325 HA ASP A 360 55.175 -18.873 1.510 ATOM 5326 CB ASP A 360 54.400 -20.232 2.995 -ATOM 5327 HB1 ASP A 360 53.721 -20.860 2.380 +ATOM 5327 HB3 ASP A 360 53.721 -20.860 2.380 ATOM 5328 HB2 ASP A 360 55.364 -20.780 3.065 ATOM 5329 CG ASP A 360 53.815 -20.201 4.393 ATOM 5330 OD1 ASP A 360 54.193 -19.302 5.175 @@ -5334,7 +5334,7 @@ ATOM 5331 OD2 ASP A 360 52.964 -21.059 4.707 ATOM 5332 C ASP A 360 53.218 -18.261 2.044 ATOM 5333 O ASP A 360 52.518 -18.837 1.205 ATOM 5334 N ILE A 361 52.832 -17.152 2.670 -ATOM 5335 HN ILE A 361 53.485 -16.706 3.280 +ATOM 5335 H ILE A 361 53.485 -16.706 3.280 ATOM 5336 CA ILE A 361 51.516 -16.549 2.520 ATOM 5337 HA ILE A 361 51.021 -16.959 1.647 ATOM 5338 CB ILE A 361 50.608 -16.866 3.735 @@ -5344,20 +5344,20 @@ ATOM 5341 HG21 ILE A 361 48.582 -16.494 4.427 ATOM 5342 HG22 ILE A 361 48.737 -16.669 2.647 ATOM 5343 HG23 ILE A 361 49.289 -15.162 3.452 ATOM 5344 CG1 ILE A 361 50.489 -18.378 3.953 -ATOM 5345 HG11 ILE A 361 49.718 -18.867 3.319 +ATOM 5345 HG13 ILE A 361 49.718 -18.867 3.319 ATOM 5346 HG12 ILE A 361 51.423 -18.940 3.740 ATOM 5347 CD1 ILE A 361 50.121 -18.771 5.375 -ATOM 5348 HD1 ILE A 361 50.035 -19.867 5.533 -ATOM 5349 HD2 ILE A 361 49.147 -18.361 5.720 -ATOM 5350 HD3 ILE A 361 50.853 -18.435 6.141 +ATOM 5348 HD11 ILE A 361 50.035 -19.867 5.533 +ATOM 5349 HD12 ILE A 361 49.147 -18.361 5.720 +ATOM 5350 HD13 ILE A 361 50.853 -18.435 6.141 ATOM 5351 C ILE A 361 51.707 -15.047 2.361 ATOM 5352 O ILE A 361 52.644 -14.461 2.911 ATOM 5353 N PHE A 362 50.818 -14.422 1.592 -ATOM 5354 HN PHE A 362 50.130 -14.967 1.115 +ATOM 5354 H PHE A 362 50.130 -14.967 1.115 ATOM 5355 CA PHE A 362 50.807 -12.977 1.417 ATOM 5356 HA PHE A 362 51.570 -12.544 2.054 ATOM 5357 CB PHE A 362 51.138 -12.587 -0.025 -ATOM 5358 HB1 PHE A 362 52.072 -13.050 -0.410 +ATOM 5358 HB3 PHE A 362 52.072 -13.050 -0.410 ATOM 5359 HB2 PHE A 362 50.354 -12.875 -0.757 ATOM 5360 CG PHE A 362 51.328 -11.111 -0.223 ATOM 5361 CD1 PHE A 362 52.103 -10.376 0.662 @@ -5372,32 +5372,32 @@ ATOM 5369 CE2 PHE A 362 50.915 -9.102 -1.480 ATOM 5370 HE2 PHE A 362 50.449 -8.604 -2.322 ATOM 5371 C PHE A 362 49.442 -12.438 1.810 ATOM 5372 O PHE A 362 48.413 -12.944 1.351 -ATOM 5373 N HSE A 363 49.436 -11.421 2.666 -ATOM 5374 HN HSE A 363 50.308 -11.092 3.025 -ATOM 5375 CA HSE A 363 48.212 -10.768 3.102 -ATOM 5376 HA HSE A 363 47.373 -11.445 2.988 -ATOM 5377 CB HSE A 363 48.292 -10.397 4.584 -ATOM 5378 HB1 HSE A 363 48.807 -11.155 5.212 -ATOM 5379 HB2 HSE A 363 48.838 -9.450 4.783 -ATOM 5380 ND1 HSE A 363 45.999 -9.356 4.737 -ATOM 5381 CG HSE A 363 46.958 -10.209 5.236 -ATOM 5382 CE1 HSE A 363 44.932 -9.390 5.517 -ATOM 5383 HE1 HSE A 363 44.020 -8.823 5.370 -ATOM 5384 NE2 HSE A 363 45.167 -10.233 6.506 -ATOM 5385 HE2 HSE A 363 44.532 -10.452 7.245 -ATOM 5386 CD2 HSE A 363 46.427 -10.760 6.353 -ATOM 5387 HD2 HSE A 363 46.906 -11.482 7.005 -ATOM 5388 C HSE A 363 47.991 -9.534 2.238 -ATOM 5389 O HSE A 363 48.867 -8.667 2.150 +ATOM 5373 N HIE A 363 49.436 -11.421 2.666 +ATOM 5374 H HIE A 363 50.308 -11.092 3.025 +ATOM 5375 CA HIE A 363 48.212 -10.768 3.102 +ATOM 5376 HA HIE A 363 47.373 -11.445 2.988 +ATOM 5377 CB HIE A 363 48.292 -10.397 4.584 +ATOM 5378 HB3 HIE A 363 48.807 -11.155 5.212 +ATOM 5379 HB2 HIE A 363 48.838 -9.450 4.783 +ATOM 5380 ND1 HIE A 363 45.999 -9.356 4.737 +ATOM 5381 CG HIE A 363 46.958 -10.209 5.236 +ATOM 5382 CE1 HIE A 363 44.932 -9.390 5.517 +ATOM 5383 HE1 HIE A 363 44.020 -8.823 5.370 +ATOM 5384 NE2 HIE A 363 45.167 -10.233 6.506 +ATOM 5385 HE2 HIE A 363 44.532 -10.452 7.245 +ATOM 5386 CD2 HIE A 363 46.427 -10.760 6.353 +ATOM 5387 HD2 HIE A 363 46.906 -11.482 7.005 +ATOM 5388 C HIE A 363 47.991 -9.534 2.238 +ATOM 5389 O HIE A 363 48.867 -8.667 2.150 ATOM 5390 N MET A 364 46.831 -9.467 1.588 -ATOM 5391 HN MET A 364 46.159 -10.193 1.725 +ATOM 5391 H MET A 364 46.159 -10.193 1.725 ATOM 5392 CA MET A 364 46.508 -8.372 0.684 ATOM 5393 HA MET A 364 47.396 -7.760 0.574 ATOM 5394 CB MET A 364 46.113 -8.923 -0.688 -ATOM 5395 HB1 MET A 364 45.227 -9.593 -0.652 +ATOM 5395 HB3 MET A 364 45.227 -9.593 -0.652 ATOM 5396 HB2 MET A 364 45.855 -8.129 -1.421 ATOM 5397 CG MET A 364 47.219 -9.744 -1.348 -ATOM 5398 HG1 MET A 364 48.217 -9.257 -1.328 +ATOM 5398 HG3 MET A 364 48.217 -9.257 -1.328 ATOM 5399 HG2 MET A 364 47.384 -10.739 -0.881 ATOM 5400 SD MET A 364 46.926 -10.104 -3.090 ATOM 5401 CE MET A 364 47.046 -8.463 -3.798 @@ -5407,25 +5407,25 @@ ATOM 5404 HE3 MET A 364 48.055 -8.045 -3.594 ATOM 5405 C MET A 364 45.417 -7.467 1.247 ATOM 5406 O MET A 364 44.796 -6.705 0.500 ATOM 5407 N GLY A 365 45.184 -7.529 2.555 -ATOM 5408 HN GLY A 365 45.663 -8.214 3.102 +ATOM 5408 H GLY A 365 45.663 -8.214 3.102 ATOM 5409 CA GLY A 365 44.255 -6.630 3.208 -ATOM 5410 HA1 GLY A 365 44.289 -6.657 4.318 +ATOM 5410 HA3 GLY A 365 44.289 -6.657 4.318 ATOM 5411 HA2 GLY A 365 44.401 -5.556 2.962 ATOM 5412 C GLY A 365 42.799 -6.884 2.882 ATOM 5413 O GLY A 365 42.150 -7.720 3.517 ATOM 5414 N GLY A 366 42.270 -6.163 1.897 -ATOM 5415 HN GLY A 366 42.847 -5.537 1.374 +ATOM 5415 H GLY A 366 42.847 -5.537 1.374 ATOM 5416 CA GLY A 366 40.863 -6.282 1.579 -ATOM 5417 HA1 GLY A 366 40.571 -5.834 0.605 +ATOM 5417 HA3 GLY A 366 40.571 -5.834 0.605 ATOM 5418 HA2 GLY A 366 40.491 -7.327 1.516 ATOM 5419 C GLY A 366 39.937 -5.625 2.576 ATOM 5420 O GLY A 366 38.758 -5.982 2.639 ATOM 5421 N ASP A 367 40.443 -4.679 3.367 -ATOM 5422 HN ASP A 367 41.419 -4.470 3.321 +ATOM 5422 H ASP A 367 41.419 -4.470 3.321 ATOM 5423 CA ASP A 367 39.597 -3.945 4.296 ATOM 5424 HA ASP A 367 39.128 -4.651 4.972 ATOM 5425 CB ASP A 367 40.435 -2.970 5.127 -ATOM 5426 HB1 ASP A 367 41.329 -2.601 4.580 +ATOM 5426 HB3 ASP A 367 41.329 -2.601 4.580 ATOM 5427 HB2 ASP A 367 39.863 -2.067 5.431 ATOM 5428 CG ASP A 367 40.954 -3.594 6.412 ATOM 5429 OD1 ASP A 367 40.151 -4.219 7.137 @@ -5433,14 +5433,14 @@ ATOM 5430 OD2 ASP A 367 42.161 -3.460 6.703 ATOM 5431 C ASP A 367 38.504 -3.200 3.535 ATOM 5432 O ASP A 367 38.665 -2.841 2.365 ATOM 5433 N GLU A 368 37.383 -2.969 4.219 -ATOM 5434 HN GLU A 368 37.377 -3.125 5.206 +ATOM 5434 H GLU A 368 37.377 -3.125 5.206 ATOM 5435 CA GLU A 368 36.165 -2.495 3.569 ATOM 5436 HA GLU A 368 35.844 -3.255 2.866 ATOM 5437 CB GLU A 368 35.070 -2.273 4.614 -ATOM 5438 HB1 GLU A 368 34.845 -3.169 5.231 +ATOM 5438 HB3 GLU A 368 34.845 -3.169 5.231 ATOM 5439 HB2 GLU A 368 35.304 -1.477 5.353 ATOM 5440 CG GLU A 368 33.728 -1.866 4.028 -ATOM 5441 HG1 GLU A 368 32.965 -1.664 4.810 +ATOM 5441 HG3 GLU A 368 32.965 -1.664 4.810 ATOM 5442 HG2 GLU A 368 33.793 -0.943 3.413 ATOM 5443 CD GLU A 368 33.138 -2.934 3.127 ATOM 5444 OE1 GLU A 368 33.370 -4.134 3.388 @@ -5448,7 +5448,7 @@ ATOM 5445 OE2 GLU A 368 32.444 -2.571 2.155 ATOM 5446 C GLU A 368 36.409 -1.215 2.781 ATOM 5447 O GLU A 368 36.951 -0.237 3.302 ATOM 5448 N VAL A 369 36.005 -1.237 1.515 -ATOM 5449 HN VAL A 369 35.572 -2.066 1.163 +ATOM 5449 H VAL A 369 35.572 -2.066 1.163 ATOM 5450 CA VAL A 369 36.170 -0.099 0.621 ATOM 5451 HA VAL A 369 37.077 0.441 0.868 ATOM 5452 CB VAL A 369 36.307 -0.589 -0.835 @@ -5464,25 +5464,25 @@ ATOM 5461 HG23 VAL A 369 37.365 -2.405 -0.295 ATOM 5462 C VAL A 369 34.994 0.853 0.794 ATOM 5463 O VAL A 369 33.870 0.440 1.098 ATOM 5464 N SER A 370 35.261 2.143 0.623 -ATOM 5465 HN SER A 370 36.208 2.418 0.465 +ATOM 5465 H SER A 370 36.208 2.418 0.465 ATOM 5466 CA SER A 370 34.234 3.172 0.656 ATOM 5467 HA SER A 370 33.387 2.814 1.230 ATOM 5468 CB SER A 370 34.755 4.434 1.338 -ATOM 5469 HB1 SER A 370 34.717 4.330 2.443 +ATOM 5469 HB3 SER A 370 34.717 4.330 2.443 ATOM 5470 HB2 SER A 370 35.808 4.635 1.047 ATOM 5471 OG SER A 370 33.977 5.560 0.976 -ATOM 5472 HG1 SER A 370 34.307 6.358 1.407 +ATOM 5472 HG SER A 370 34.307 6.358 1.407 ATOM 5473 C SER A 370 33.784 3.475 -0.769 ATOM 5474 O SER A 370 34.598 3.880 -1.609 ATOM 5475 N GLU A 371 32.484 3.275 -1.036 -ATOM 5476 HN GLU A 371 31.886 2.899 -0.329 +ATOM 5476 H GLU A 371 31.886 2.899 -0.329 ATOM 5477 CA GLU A 371 31.936 3.601 -2.347 ATOM 5478 HA GLU A 371 32.623 3.216 -3.092 ATOM 5479 CB GLU A 371 30.577 2.939 -2.556 -ATOM 5480 HB1 GLU A 371 29.776 3.289 -1.870 +ATOM 5480 HB3 GLU A 371 29.776 3.289 -1.870 ATOM 5481 HB2 GLU A 371 30.137 3.084 -3.566 ATOM 5482 CG GLU A 371 30.566 1.431 -2.376 -ATOM 5483 HG1 GLU A 371 30.578 0.875 -3.338 +ATOM 5483 HG3 GLU A 371 30.578 0.875 -3.338 ATOM 5484 HG2 GLU A 371 31.439 1.052 -1.803 ATOM 5485 CD GLU A 371 29.349 0.928 -1.635 ATOM 5486 OE1 GLU A 371 29.449 0.627 -0.413 @@ -5490,7 +5490,7 @@ ATOM 5487 OE2 GLU A 371 28.293 0.819 -2.298 ATOM 5488 C GLU A 371 31.816 5.110 -2.527 ATOM 5489 O GLU A 371 32.035 5.632 -3.624 ATOM 5490 N ALA A 372 31.438 5.823 -1.467 -ATOM 5491 HN ALA A 372 31.196 5.352 -0.620 +ATOM 5491 H ALA A 372 31.196 5.352 -0.620 ATOM 5492 CA ALA A 372 31.372 7.281 -1.522 ATOM 5493 HA ALA A 372 30.626 7.571 -2.253 ATOM 5494 CB ALA A 372 30.964 7.828 -0.148 @@ -5500,21 +5500,21 @@ ATOM 5497 HB3 ALA A 372 31.714 7.521 0.612 ATOM 5498 C ALA A 372 32.701 7.873 -1.971 ATOM 5499 O ALA A 372 32.729 8.859 -2.715 ATOM 5500 N CYX A 373 33.813 7.274 -1.539 -ATOM 5501 HN CYX A 373 33.746 6.508 -0.902 +ATOM 5501 H CYX A 373 33.746 6.508 -0.902 ATOM 5502 CA CYX A 373 35.125 7.728 -1.989 ATOM 5503 HA CYX A 373 35.189 8.797 -1.820 ATOM 5504 CB CYX A 373 36.226 7.034 -1.189 -ATOM 5505 HB1 CYX A 373 36.235 7.303 -0.111 +ATOM 5505 HB3 CYX A 373 36.235 7.303 -0.111 ATOM 5506 HB2 CYX A 373 36.161 5.925 -1.204 ATOM 5507 SG CYX A 373 37.900 7.407 -1.772 ATOM 5508 C CYX A 373 35.312 7.477 -3.480 ATOM 5509 O CYX A 373 35.706 8.380 -4.228 ATOM 5510 N TRP A 374 35.033 6.254 -3.933 -ATOM 5511 HN TRP A 374 34.689 5.557 -3.306 +ATOM 5511 H TRP A 374 34.689 5.557 -3.306 ATOM 5512 CA TRP A 374 35.229 5.932 -5.343 ATOM 5513 HA TRP A 374 36.223 6.264 -5.620 ATOM 5514 CB TRP A 374 35.120 4.422 -5.557 -ATOM 5515 HB1 TRP A 374 34.434 3.916 -4.844 +ATOM 5515 HB3 TRP A 374 34.434 3.916 -4.844 ATOM 5516 HB2 TRP A 374 34.744 4.137 -6.563 ATOM 5517 CG TRP A 374 36.422 3.695 -5.416 ATOM 5518 CD1 TRP A 374 37.666 4.249 -5.328 @@ -5534,11 +5534,11 @@ ATOM 5531 HH2 TRP A 374 38.042 -1.303 -5.115 ATOM 5532 C TRP A 374 34.237 6.665 -6.238 ATOM 5533 O TRP A 374 34.574 7.010 -7.376 ATOM 5534 N ASN A 375 33.019 6.917 -5.748 -ATOM 5535 HN ASN A 375 32.809 6.672 -4.802 +ATOM 5535 H ASN A 375 32.809 6.672 -4.802 ATOM 5536 CA ASN A 375 31.991 7.544 -6.572 ATOM 5537 HA ASN A 375 32.053 7.069 -7.545 ATOM 5538 CB ASN A 375 30.607 7.325 -5.958 -ATOM 5539 HB1 ASN A 375 30.486 6.306 -5.532 +ATOM 5539 HB3 ASN A 375 30.486 6.306 -5.532 ATOM 5540 HB2 ASN A 375 30.391 8.035 -5.131 ATOM 5541 CG ASN A 375 29.488 7.497 -6.969 ATOM 5542 OD1 ASN A 375 29.670 7.256 -8.162 @@ -5548,33 +5548,33 @@ ATOM 5545 HD22 ASN A 375 28.172 8.110 -5.525 ATOM 5546 C ASN A 375 32.214 9.037 -6.771 ATOM 5547 O ASN A 375 31.608 9.622 -7.676 ATOM 5548 N SER A 376 33.053 9.664 -5.951 -ATOM 5549 HN SER A 376 33.508 9.137 -5.235 +ATOM 5549 H SER A 376 33.508 9.137 -5.235 ATOM 5550 CA SER A 376 33.333 11.089 -6.058 ATOM 5551 HA SER A 376 32.438 11.556 -6.452 ATOM 5552 CB SER A 376 33.664 11.665 -4.678 -ATOM 5553 HB1 SER A 376 33.520 12.766 -4.656 +ATOM 5553 HB3 SER A 376 33.520 12.766 -4.656 ATOM 5554 HB2 SER A 376 33.014 11.225 -3.891 ATOM 5555 OG SER A 376 35.010 11.401 -4.320 -ATOM 5556 HG1 SER A 376 35.219 11.764 -3.450 +ATOM 5556 HG SER A 376 35.219 11.764 -3.450 ATOM 5557 C SER A 376 34.467 11.396 -7.027 ATOM 5558 O SER A 376 34.927 12.541 -7.081 ATOM 5559 N SER A 377 34.926 10.409 -7.792 -ATOM 5560 HN SER A 377 34.471 9.520 -7.755 +ATOM 5560 H SER A 377 34.471 9.520 -7.755 ATOM 5561 CA SER A 377 36.067 10.575 -8.682 ATOM 5562 HA SER A 377 36.605 11.467 -8.382 ATOM 5563 CB SER A 377 37.018 9.383 -8.576 -ATOM 5564 HB1 SER A 377 37.582 9.407 -7.619 +ATOM 5564 HB3 SER A 377 37.582 9.407 -7.619 ATOM 5565 HB2 SER A 377 36.460 8.423 -8.619 ATOM 5566 OG SER A 377 37.959 9.387 -9.636 -ATOM 5567 HG1 SER A 377 38.560 8.634 -9.569 +ATOM 5567 HG SER A 377 38.560 8.634 -9.569 ATOM 5568 C SER A 377 35.593 10.742 -10.119 ATOM 5569 O SER A 377 34.748 9.975 -10.596 ATOM 5570 N ASP A 378 36.147 11.746 -10.802 -ATOM 5571 HN ASP A 378 36.789 12.356 -10.339 +ATOM 5571 H ASP A 378 36.789 12.356 -10.339 ATOM 5572 CA ASP A 378 35.836 11.972 -12.210 ATOM 5573 HA ASP A 378 34.769 12.136 -12.309 ATOM 5574 CB ASP A 378 36.584 13.212 -12.706 -ATOM 5575 HB1 ASP A 378 36.525 14.062 -11.994 +ATOM 5575 HB3 ASP A 378 36.525 14.062 -11.994 ATOM 5576 HB2 ASP A 378 37.667 13.023 -12.869 ATOM 5577 CG ASP A 378 36.046 13.732 -14.024 ATOM 5578 OD1 ASP A 378 34.991 14.399 -14.012 @@ -5582,18 +5582,18 @@ ATOM 5579 OD2 ASP A 378 36.680 13.476 -15.071 ATOM 5580 C ASP A 378 36.194 10.753 -13.054 ATOM 5581 O ASP A 378 35.332 10.158 -13.712 ATOM 5582 N SER A 379 37.472 10.362 -13.036 -ATOM 5583 HN SER A 379 38.113 10.805 -12.411 +ATOM 5583 H SER A 379 38.113 10.805 -12.411 ATOM 5584 CA SER A 379 37.946 9.298 -13.915 ATOM 5585 HA SER A 379 37.665 9.564 -14.928 ATOM 5586 CB SER A 379 39.467 9.178 -13.817 -ATOM 5587 HB1 SER A 379 39.849 8.386 -14.495 +ATOM 5587 HB3 SER A 379 39.849 8.386 -14.495 ATOM 5588 HB2 SER A 379 39.962 10.133 -14.096 ATOM 5589 OG SER A 379 39.868 8.851 -12.498 -ATOM 5590 HG1 SER A 379 40.829 8.775 -12.436 +ATOM 5590 HG SER A 379 40.829 8.775 -12.436 ATOM 5591 C SER A 379 37.294 7.958 -13.601 ATOM 5592 O SER A 379 37.103 7.138 -14.505 ATOM 5593 N ILE A 380 36.948 7.714 -12.335 -ATOM 5594 HN ILE A 380 37.082 8.417 -11.638 +ATOM 5594 H ILE A 380 37.082 8.417 -11.638 ATOM 5595 CA ILE A 380 36.374 6.424 -11.965 ATOM 5596 HA ILE A 380 36.987 5.635 -12.385 ATOM 5597 CB ILE A 380 36.376 6.255 -10.436 @@ -5603,23 +5603,23 @@ ATOM 5600 HG21 ILE A 380 35.463 4.990 -8.920 ATOM 5601 HG22 ILE A 380 35.800 4.158 -10.482 ATOM 5602 HG23 ILE A 380 34.419 5.308 -10.353 ATOM 5603 CG1 ILE A 380 37.802 6.020 -9.935 -ATOM 5604 HG11 ILE A 380 38.303 5.144 -10.399 +ATOM 5604 HG13 ILE A 380 38.303 5.144 -10.399 ATOM 5605 HG12 ILE A 380 38.490 6.872 -10.123 ATOM 5606 CD1 ILE A 380 37.894 5.772 -8.448 -ATOM 5607 HD1 ILE A 380 38.930 5.601 -8.084 -ATOM 5608 HD2 ILE A 380 37.323 4.883 -8.105 -ATOM 5609 HD3 ILE A 380 37.511 6.611 -7.828 +ATOM 5607 HD11 ILE A 380 38.930 5.601 -8.084 +ATOM 5608 HD12 ILE A 380 37.323 4.883 -8.105 +ATOM 5609 HD13 ILE A 380 37.511 6.611 -7.828 ATOM 5610 C ILE A 380 34.973 6.274 -12.545 ATOM 5611 O ILE A 380 34.619 5.215 -13.082 ATOM 5612 N GLN A 381 34.154 7.325 -12.449 -ATOM 5613 HN GLN A 381 34.467 8.161 -12.001 +ATOM 5613 H GLN A 381 34.467 8.161 -12.001 ATOM 5614 CA GLN A 381 32.804 7.255 -12.997 ATOM 5615 HA GLN A 381 32.323 6.371 -12.595 ATOM 5616 CB GLN A 381 32.005 8.493 -12.581 -ATOM 5617 HB1 GLN A 381 32.620 9.413 -12.481 +ATOM 5617 HB3 GLN A 381 32.620 9.413 -12.481 ATOM 5618 HB2 GLN A 381 31.199 8.768 -13.294 ATOM 5619 CG GLN A 381 31.303 8.350 -11.241 -ATOM 5620 HG1 GLN A 381 30.477 7.608 -11.271 +ATOM 5620 HG3 GLN A 381 30.477 7.608 -11.271 ATOM 5621 HG2 GLN A 381 31.991 8.018 -10.434 ATOM 5622 CD GLN A 381 30.689 9.649 -10.768 ATOM 5623 OE1 GLN A 381 31.216 10.731 -11.027 @@ -5629,11 +5629,11 @@ ATOM 5626 HE22 GLN A 381 29.138 8.672 -9.856 ATOM 5627 C GLN A 381 32.825 7.119 -14.514 ATOM 5628 O GLN A 381 32.056 6.334 -15.080 ATOM 5629 N ASN A 382 33.704 7.866 -15.191 -ATOM 5630 HN ASN A 382 34.267 8.533 -14.705 +ATOM 5630 H ASN A 382 34.267 8.533 -14.705 ATOM 5631 CA ASN A 382 33.845 7.712 -16.635 ATOM 5632 HA ASN A 382 32.880 7.898 -17.092 ATOM 5633 CB ASN A 382 34.858 8.726 -17.171 -ATOM 5634 HB1 ASN A 382 35.858 8.634 -16.696 +ATOM 5634 HB3 ASN A 382 35.858 8.634 -16.696 ATOM 5635 HB2 ASN A 382 35.034 8.628 -18.264 ATOM 5636 CG ASN A 382 34.431 10.162 -16.952 ATOM 5637 OD1 ASN A 382 33.252 10.435 -16.711 @@ -5643,11 +5643,11 @@ ATOM 5640 HD22 ASN A 382 36.334 10.864 -17.226 ATOM 5641 C ASN A 382 34.266 6.297 -17.001 ATOM 5642 O ASN A 382 33.793 5.739 -17.999 ATOM 5643 N PHE A 383 35.158 5.705 -16.205 -ATOM 5644 HN PHE A 383 35.545 6.211 -15.435 +ATOM 5644 H PHE A 383 35.545 6.211 -15.435 ATOM 5645 CA PHE A 383 35.576 4.328 -16.445 ATOM 5646 HA PHE A 383 35.963 4.260 -17.455 ATOM 5647 CB PHE A 383 36.683 3.939 -15.460 -ATOM 5648 HB1 PHE A 383 37.621 4.523 -15.576 +ATOM 5648 HB3 PHE A 383 37.621 4.523 -15.576 ATOM 5649 HB2 PHE A 383 36.407 4.068 -14.392 ATOM 5650 CG PHE A 383 37.123 2.500 -15.562 ATOM 5651 CD1 PHE A 383 36.481 1.505 -14.837 @@ -5663,14 +5663,14 @@ ATOM 5660 HE2 PHE A 383 39.440 0.562 -17.098 ATOM 5661 C PHE A 383 34.400 3.367 -16.336 ATOM 5662 O PHE A 383 34.306 2.400 -17.100 ATOM 5663 N MET A 384 33.492 3.615 -15.391 -ATOM 5664 HN MET A 384 33.571 4.437 -14.829 +ATOM 5664 H MET A 384 33.571 4.437 -14.829 ATOM 5665 CA MET A 384 32.385 2.691 -15.176 ATOM 5666 HA MET A 384 32.766 1.683 -15.296 ATOM 5667 CB MET A 384 31.837 2.855 -13.758 -ATOM 5668 HB1 MET A 384 31.800 3.915 -13.428 +ATOM 5668 HB3 MET A 384 31.800 3.915 -13.428 ATOM 5669 HB2 MET A 384 30.802 2.467 -13.646 ATOM 5670 CG MET A 384 32.667 2.126 -12.714 -ATOM 5671 HG1 MET A 384 32.484 1.031 -12.681 +ATOM 5671 HG3 MET A 384 32.484 1.031 -12.681 ATOM 5672 HG2 MET A 384 33.763 2.227 -12.863 ATOM 5673 SD MET A 384 32.376 2.693 -11.031 ATOM 5674 CE MET A 384 31.234 1.444 -10.470 @@ -5680,14 +5680,14 @@ ATOM 5677 HE3 MET A 384 31.718 0.446 -10.531 ATOM 5678 C MET A 384 31.280 2.872 -16.208 ATOM 5679 O MET A 384 30.553 1.917 -16.502 ATOM 5680 N MET A 385 31.138 4.075 -16.765 -ATOM 5681 HN MET A 385 31.655 4.852 -16.408 +ATOM 5681 H MET A 385 31.655 4.852 -16.408 ATOM 5682 CA MET A 385 30.233 4.263 -17.892 ATOM 5683 HA MET A 385 29.246 3.926 -17.598 ATOM 5684 CB MET A 385 30.159 5.744 -18.268 -ATOM 5685 HB1 MET A 385 30.797 6.412 -17.651 +ATOM 5685 HB3 MET A 385 30.797 6.412 -17.651 ATOM 5686 HB2 MET A 385 30.466 5.974 -19.311 ATOM 5687 CG MET A 385 28.774 6.359 -18.154 -ATOM 5688 HG1 MET A 385 28.656 7.266 -18.785 +ATOM 5688 HG3 MET A 385 28.656 7.266 -18.785 ATOM 5689 HG2 MET A 385 27.969 5.659 -18.464 ATOM 5690 SD MET A 385 28.377 6.865 -16.471 ATOM 5691 CE MET A 385 29.202 8.453 -16.391 @@ -5697,14 +5697,14 @@ ATOM 5694 HE3 MET A 385 28.783 9.127 -17.168 ATOM 5695 C MET A 385 30.685 3.437 -19.089 ATOM 5696 O MET A 385 29.899 2.678 -19.671 ATOM 5697 N GLN A 386 31.965 3.558 -19.454 -ATOM 5698 HN GLN A 386 32.586 4.085 -18.876 +ATOM 5698 H GLN A 386 32.586 4.085 -18.876 ATOM 5699 CA GLN A 386 32.482 2.943 -20.672 ATOM 5700 HA GLN A 386 31.881 3.318 -21.493 ATOM 5701 CB GLN A 386 33.950 3.327 -20.859 -ATOM 5702 HB1 GLN A 386 34.557 3.278 -19.929 +ATOM 5702 HB3 GLN A 386 34.557 3.278 -19.929 ATOM 5703 HB2 GLN A 386 34.501 2.686 -21.581 ATOM 5704 CG GLN A 386 34.164 4.737 -21.371 -ATOM 5705 HG1 GLN A 386 33.388 5.442 -21.004 +ATOM 5705 HG3 GLN A 386 33.388 5.442 -21.004 ATOM 5706 HG2 GLN A 386 35.144 5.157 -21.057 ATOM 5707 CD GLN A 386 34.131 4.812 -22.882 ATOM 5708 OE1 GLN A 386 33.425 5.638 -23.459 @@ -5714,11 +5714,11 @@ ATOM 5711 HE22 GLN A 386 35.469 3.272 -23.065 ATOM 5712 C GLN A 386 32.349 1.427 -20.679 ATOM 5713 O GLN A 386 32.362 0.823 -21.757 ATOM 5714 N ASN A 387 32.227 0.794 -19.513 -ATOM 5715 HN ASN A 387 32.187 1.330 -18.671 +ATOM 5715 H ASN A 387 32.187 1.330 -18.671 ATOM 5716 CA ASN A 387 32.151 -0.659 -19.432 ATOM 5717 HA ASN A 387 32.418 -1.049 -20.407 ATOM 5718 CB ASN A 387 33.140 -1.183 -18.393 -ATOM 5719 HB1 ASN A 387 32.952 -0.761 -17.382 +ATOM 5719 HB3 ASN A 387 32.952 -0.761 -17.382 ATOM 5720 HB2 ASN A 387 33.094 -2.288 -18.288 ATOM 5721 CG ASN A 387 34.573 -0.843 -18.742 ATOM 5722 OD1 ASN A 387 35.212 -0.035 -18.072 @@ -5728,17 +5728,17 @@ ATOM 5725 HD22 ASN A 387 34.563 -2.107 -20.354 ATOM 5726 C ASN A 387 30.740 -1.155 -19.132 ATOM 5727 O ASN A 387 30.574 -2.282 -18.664 ATOM 5728 N ARG A 388 29.726 -0.342 -19.436 -ATOM 5729 HN ARG A 388 29.950 0.545 -19.838 +ATOM 5729 H ARG A 388 29.950 0.545 -19.838 ATOM 5730 CA ARG A 388 28.314 -0.650 -19.225 ATOM 5731 HA ARG A 388 27.785 0.211 -19.617 ATOM 5732 CB ARG A 388 27.894 -1.915 -19.977 -ATOM 5733 HB1 ARG A 388 28.141 -2.864 -19.455 +ATOM 5733 HB3 ARG A 388 28.141 -2.864 -19.455 ATOM 5734 HB2 ARG A 388 26.803 -1.992 -20.174 ATOM 5735 CG ARG A 388 28.525 -2.071 -21.340 -ATOM 5736 HG1 ARG A 388 28.398 -1.140 -21.932 +ATOM 5736 HG3 ARG A 388 28.398 -1.140 -21.932 ATOM 5737 HG2 ARG A 388 29.611 -2.283 -21.240 ATOM 5738 CD ARG A 388 27.879 -3.209 -22.088 -ATOM 5739 HD1 ARG A 388 27.629 -4.044 -21.400 +ATOM 5739 HD3 ARG A 388 27.629 -4.044 -21.400 ATOM 5740 HD2 ARG A 388 28.558 -3.603 -22.874 ATOM 5741 NE ARG A 388 26.648 -2.774 -22.734 ATOM 5742 HE ARG A 388 26.716 -2.404 -23.660 @@ -5752,11 +5752,11 @@ ATOM 5749 HH22 ARG A 388 26.074 -3.642 -20.445 ATOM 5750 C ARG A 388 27.930 -0.806 -17.756 ATOM 5751 O ARG A 388 26.874 -1.369 -17.453 ATOM 5752 N TRP A 389 28.751 -0.318 -16.837 -ATOM 5753 HN TRP A 389 29.601 0.117 -17.131 +ATOM 5753 H TRP A 389 29.601 0.117 -17.131 ATOM 5754 CA TRP A 389 28.455 -0.395 -15.414 ATOM 5755 HA TRP A 389 27.841 -1.268 -15.222 ATOM 5756 CB TRP A 389 29.743 -0.538 -14.607 -ATOM 5757 HB1 TRP A 389 30.415 0.346 -14.647 +ATOM 5757 HB3 TRP A 389 30.415 0.346 -14.647 ATOM 5758 HB2 TRP A 389 29.591 -0.708 -13.520 ATOM 5759 CG TRP A 389 30.636 -1.695 -15.037 ATOM 5760 CD1 TRP A 389 30.344 -2.691 -15.941 @@ -5776,11 +5776,11 @@ ATOM 5773 HH2 TRP A 389 35.448 -3.441 -13.834 ATOM 5774 C TRP A 389 27.700 0.852 -14.993 ATOM 5775 O TRP A 389 27.989 1.958 -15.464 ATOM 5776 N ASP A 390 26.739 0.662 -14.098 -ATOM 5777 HN ASP A 390 26.496 -0.276 -13.856 +ATOM 5777 H ASP A 390 26.496 -0.276 -13.856 ATOM 5778 CA ASP A 390 26.019 1.750 -13.449 ATOM 5779 HA ASP A 390 25.837 2.557 -14.150 ATOM 5780 CB ASP A 390 24.663 1.256 -12.956 -ATOM 5781 HB1 ASP A 390 24.745 0.485 -12.161 +ATOM 5781 HB3 ASP A 390 24.745 0.485 -12.161 ATOM 5782 HB2 ASP A 390 24.036 2.066 -12.526 ATOM 5783 CG ASP A 390 23.826 0.627 -14.054 ATOM 5784 OD1 ASP A 390 23.721 1.229 -15.144 @@ -5788,11 +5788,11 @@ ATOM 5785 OD2 ASP A 390 23.234 -0.446 -13.806 ATOM 5786 C ASP A 390 26.873 2.272 -12.296 ATOM 5787 O ASP A 390 28.038 1.893 -12.132 ATOM 5788 N LEU A 391 26.286 3.122 -11.465 -ATOM 5789 HN LEU A 391 25.351 3.413 -11.661 +ATOM 5789 H LEU A 391 25.351 3.413 -11.661 ATOM 5790 CA LEU A 391 26.947 3.650 -10.278 ATOM 5791 HA LEU A 391 27.951 3.243 -10.250 ATOM 5792 CB LEU A 391 27.052 5.170 -10.341 -ATOM 5793 HB1 LEU A 391 26.117 5.746 -10.172 +ATOM 5793 HB3 LEU A 391 26.117 5.746 -10.172 ATOM 5794 HB2 LEU A 391 27.738 5.657 -9.615 ATOM 5795 CG LEU A 391 27.538 5.777 -11.659 ATOM 5796 HG LEU A 391 26.933 5.362 -12.458 @@ -5807,11 +5807,11 @@ ATOM 5804 HD23 LEU A 391 29.648 5.782 -11.111 ATOM 5805 C LEU A 391 26.222 3.213 -9.009 ATOM 5806 O LEU A 391 26.143 3.954 -8.027 ATOM 5807 N ASP A 392 25.693 1.995 -9.019 -ATOM 5808 HN ASP A 392 25.761 1.443 -9.849 +ATOM 5808 H ASP A 392 25.761 1.443 -9.849 ATOM 5809 CA ASP A 392 25.018 1.442 -7.858 ATOM 5810 HA ASP A 392 24.596 2.260 -7.285 ATOM 5811 CB ASP A 392 23.875 0.520 -8.290 -ATOM 5812 HB1 ASP A 392 23.436 -0.052 -7.445 +ATOM 5812 HB3 ASP A 392 23.436 -0.052 -7.445 ATOM 5813 HB2 ASP A 392 23.028 1.068 -8.756 ATOM 5814 CG ASP A 392 24.305 -0.521 -9.313 ATOM 5815 OD1 ASP A 392 25.493 -0.911 -9.326 @@ -5819,20 +5819,20 @@ ATOM 5816 OD2 ASP A 392 23.445 -0.951 -10.111 ATOM 5817 C ASP A 392 26.008 0.695 -6.967 ATOM 5818 O ASP A 392 27.188 0.540 -7.293 ATOM 5819 N LYS A 393 25.501 0.228 -5.825 -ATOM 5820 HN LYS A 393 24.534 0.374 -5.620 +ATOM 5820 H LYS A 393 24.534 0.374 -5.620 ATOM 5821 CA LYS A 393 26.337 -0.492 -4.871 ATOM 5822 HA LYS A 393 27.138 0.167 -4.556 ATOM 5823 CB LYS A 393 25.502 -0.894 -3.654 -ATOM 5824 HB1 LYS A 393 24.845 -0.092 -3.254 +ATOM 5824 HB3 LYS A 393 24.845 -0.092 -3.254 ATOM 5825 HB2 LYS A 393 24.806 -1.743 -3.826 ATOM 5826 CG LYS A 393 26.309 -1.332 -2.444 -ATOM 5827 HG1 LYS A 393 27.144 -2.005 -2.734 +ATOM 5827 HG3 LYS A 393 27.144 -2.005 -2.734 ATOM 5828 HG2 LYS A 393 26.752 -0.462 -1.914 ATOM 5829 CD LYS A 393 25.448 -2.083 -1.443 -ATOM 5830 HD1 LYS A 393 25.542 -3.183 -1.568 +ATOM 5830 HD3 LYS A 393 25.542 -3.183 -1.568 ATOM 5831 HD2 LYS A 393 24.373 -1.828 -1.557 ATOM 5832 CE LYS A 393 25.841 -1.755 -0.010 -ATOM 5833 HE1 LYS A 393 26.913 -1.971 0.189 +ATOM 5833 HE3 LYS A 393 26.913 -1.971 0.189 ATOM 5834 HE2 LYS A 393 25.254 -2.341 0.729 ATOM 5835 NZ LYS A 393 25.625 -0.315 0.315 ATOM 5836 HZ1 LYS A 393 25.883 -0.100 1.256 @@ -5841,14 +5841,14 @@ ATOM 5838 HZ3 LYS A 393 24.669 -0.046 0.210 ATOM 5839 C LYS A 393 26.977 -1.721 -5.506 ATOM 5840 O LYS A 393 28.155 -2.011 -5.265 ATOM 5841 N GLU A 394 26.215 -2.457 -6.318 -ATOM 5842 HN GLU A 394 25.279 -2.169 -6.514 +ATOM 5842 H GLU A 394 25.279 -2.169 -6.514 ATOM 5843 CA GLU A 394 26.738 -3.678 -6.921 ATOM 5844 HA GLU A 394 27.132 -4.303 -6.128 ATOM 5845 CB GLU A 394 25.607 -4.421 -7.641 -ATOM 5846 HB1 GLU A 394 25.115 -5.207 -7.029 +ATOM 5846 HB3 GLU A 394 25.115 -5.207 -7.029 ATOM 5847 HB2 GLU A 394 24.771 -3.769 -7.973 ATOM 5848 CG GLU A 394 26.042 -5.147 -8.906 -ATOM 5849 HG1 GLU A 394 26.307 -4.453 -9.732 +ATOM 5849 HG3 GLU A 394 26.307 -4.453 -9.732 ATOM 5850 HG2 GLU A 394 26.935 -5.789 -8.749 ATOM 5851 CD GLU A 394 24.968 -6.058 -9.459 ATOM 5852 OE1 GLU A 394 23.978 -5.543 -10.019 @@ -5856,22 +5856,22 @@ ATOM 5853 OE2 GLU A 394 25.120 -7.292 -9.339 ATOM 5854 C GLU A 394 27.895 -3.396 -7.875 ATOM 5855 O GLU A 394 28.805 -4.224 -7.995 ATOM 5856 N SER A 395 27.886 -2.234 -8.539 -ATOM 5857 HN SER A 395 27.152 -1.578 -8.370 +ATOM 5857 H SER A 395 27.152 -1.578 -8.370 ATOM 5858 CA SER A 395 28.932 -1.908 -9.508 ATOM 5859 HA SER A 395 29.009 -2.794 -10.127 ATOM 5860 CB SER A 395 28.569 -0.679 -10.330 -ATOM 5861 HB1 SER A 395 29.472 -0.192 -10.755 +ATOM 5861 HB3 SER A 395 29.472 -0.192 -10.755 ATOM 5862 HB2 SER A 395 27.902 -0.939 -11.180 ATOM 5863 OG SER A 395 27.897 0.288 -9.548 -ATOM 5864 HG1 SER A 395 27.667 1.067 -10.069 +ATOM 5864 HG SER A 395 27.667 1.067 -10.069 ATOM 5865 C SER A 395 30.267 -1.617 -8.874 ATOM 5866 O SER A 395 31.308 -1.855 -9.495 ATOM 5867 N PHE A 396 30.254 -0.975 -7.718 -ATOM 5868 HN PHE A 396 29.389 -0.689 -7.309 +ATOM 5868 H PHE A 396 29.389 -0.689 -7.309 ATOM 5869 CA PHE A 396 31.507 -0.692 -7.053 ATOM 5870 HA PHE A 396 32.223 -0.304 -7.768 ATOM 5871 CB PHE A 396 31.281 0.371 -5.985 -ATOM 5872 HB1 PHE A 396 30.364 0.196 -5.382 +ATOM 5872 HB3 PHE A 396 30.364 0.196 -5.382 ATOM 5873 HB2 PHE A 396 32.112 0.437 -5.251 ATOM 5874 CG PHE A 396 31.134 1.748 -6.548 ATOM 5875 CD1 PHE A 396 32.204 2.357 -7.174 @@ -5887,11 +5887,11 @@ ATOM 5884 HE2 PHE A 396 28.862 4.228 -6.926 ATOM 5885 C PHE A 396 32.105 -1.961 -6.480 ATOM 5886 O PHE A 396 33.331 -2.101 -6.441 ATOM 5887 N LEU A 397 31.256 -2.907 -6.074 -ATOM 5888 HN LEU A 397 30.283 -2.698 -5.981 +ATOM 5888 H LEU A 397 30.283 -2.698 -5.981 ATOM 5889 CA LEU A 397 31.748 -4.248 -5.765 ATOM 5890 HA LEU A 397 32.492 -4.167 -4.981 ATOM 5891 CB LEU A 397 30.605 -5.130 -5.260 -ATOM 5892 HB1 LEU A 397 29.994 -4.684 -4.446 +ATOM 5892 HB3 LEU A 397 29.994 -4.684 -4.446 ATOM 5893 HB2 LEU A 397 29.852 -5.406 -6.029 ATOM 5894 CG LEU A 397 31.039 -6.481 -4.683 ATOM 5895 HG LEU A 397 31.526 -7.040 -5.473 @@ -5906,20 +5906,20 @@ ATOM 5903 HD23 LEU A 397 29.278 -6.733 -3.421 ATOM 5904 C LEU A 397 32.414 -4.874 -6.982 ATOM 5905 O LEU A 397 33.404 -5.604 -6.850 ATOM 5906 N LYS A 398 31.883 -4.591 -8.177 -ATOM 5907 HN LYS A 398 31.064 -4.022 -8.227 +ATOM 5907 H LYS A 398 31.064 -4.022 -8.227 ATOM 5908 CA LYS A 398 32.478 -5.098 -9.405 ATOM 5909 HA LYS A 398 32.661 -6.160 -9.284 ATOM 5910 CB LYS A 398 31.518 -4.890 -10.574 -ATOM 5911 HB1 LYS A 398 30.671 -4.214 -10.329 +ATOM 5911 HB3 LYS A 398 30.671 -4.214 -10.329 ATOM 5912 HB2 LYS A 398 32.006 -4.443 -11.466 ATOM 5913 CG LYS A 398 30.882 -6.179 -11.061 -ATOM 5914 HG1 LYS A 398 31.548 -6.771 -11.724 +ATOM 5914 HG3 LYS A 398 31.548 -6.771 -11.724 ATOM 5915 HG2 LYS A 398 30.598 -6.865 -10.235 ATOM 5916 CD LYS A 398 29.608 -5.952 -11.860 -ATOM 5917 HD1 LYS A 398 28.767 -5.679 -11.187 +ATOM 5917 HD3 LYS A 398 28.767 -5.679 -11.187 ATOM 5918 HD2 LYS A 398 29.325 -6.872 -12.416 ATOM 5919 CE LYS A 398 29.795 -4.851 -12.844 -ATOM 5920 HE1 LYS A 398 30.035 -3.954 -12.234 +ATOM 5920 HE3 LYS A 398 30.035 -3.954 -12.234 ATOM 5921 HE2 LYS A 398 28.825 -4.773 -13.381 ATOM 5922 NZ LYS A 398 30.910 -5.290 -13.707 ATOM 5923 HZ1 LYS A 398 31.036 -4.551 -14.367 @@ -5928,11 +5928,11 @@ ATOM 5925 HZ3 LYS A 398 30.599 -6.144 -14.121 ATOM 5926 C LYS A 398 33.817 -4.422 -9.685 ATOM 5927 O LYS A 398 34.745 -5.047 -10.206 ATOM 5928 N LEU A 399 33.927 -3.134 -9.363 -ATOM 5929 HN LEU A 399 33.125 -2.634 -9.040 +ATOM 5929 H LEU A 399 33.125 -2.634 -9.040 ATOM 5930 CA LEU A 399 35.212 -2.446 -9.479 ATOM 5931 HA LEU A 399 35.598 -2.602 -10.480 ATOM 5932 CB LEU A 399 35.025 -0.938 -9.257 -ATOM 5933 HB1 LEU A 399 34.239 -0.450 -9.873 +ATOM 5933 HB3 LEU A 399 34.239 -0.450 -9.873 ATOM 5934 HB2 LEU A 399 34.744 -0.630 -8.227 ATOM 5935 CG LEU A 399 36.249 -0.064 -9.537 ATOM 5936 HG LEU A 399 37.049 -0.430 -8.903 @@ -5947,11 +5947,11 @@ ATOM 5944 HD23 LEU A 399 35.127 1.792 -9.781 ATOM 5945 C LEU A 399 36.225 -3.018 -8.496 ATOM 5946 O LEU A 399 37.394 -3.209 -8.847 ATOM 5947 N TRP A 400 35.792 -3.303 -7.263 -ATOM 5948 HN TRP A 400 34.846 -3.099 -7.013 +ATOM 5948 H TRP A 400 34.846 -3.099 -7.013 ATOM 5949 CA TRP A 400 36.684 -3.908 -6.278 ATOM 5950 HA TRP A 400 37.554 -3.273 -6.155 ATOM 5951 CB TRP A 400 35.962 -4.023 -4.934 -ATOM 5952 HB1 TRP A 400 35.465 -3.096 -4.575 +ATOM 5952 HB3 TRP A 400 35.465 -3.096 -4.575 ATOM 5953 HB2 TRP A 400 35.143 -4.772 -4.892 ATOM 5954 CG TRP A 400 36.827 -4.411 -3.761 ATOM 5955 CD1 TRP A 400 38.148 -4.764 -3.783 @@ -5971,11 +5971,11 @@ ATOM 5968 HH2 TRP A 400 36.226 -4.945 1.443 ATOM 5969 C TRP A 400 37.179 -5.269 -6.752 ATOM 5970 O TRP A 400 38.363 -5.593 -6.602 ATOM 5971 N ASN A 401 36.289 -6.078 -7.332 -ATOM 5972 HN ASN A 401 35.329 -5.805 -7.385 +ATOM 5972 H ASN A 401 35.329 -5.805 -7.385 ATOM 5973 CA ASN A 401 36.713 -7.360 -7.889 ATOM 5974 HA ASN A 401 37.207 -7.923 -7.106 ATOM 5975 CB ASN A 401 35.499 -8.150 -8.376 -ATOM 5976 HB1 ASN A 401 34.700 -7.495 -8.784 +ATOM 5976 HB3 ASN A 401 34.700 -7.495 -8.784 ATOM 5977 HB2 ASN A 401 35.754 -8.868 -9.184 ATOM 5978 CG ASN A 401 34.857 -8.964 -7.275 ATOM 5979 OD1 ASN A 401 35.480 -9.864 -6.711 @@ -5985,11 +5985,11 @@ ATOM 5982 HD22 ASN A 401 33.100 -7.923 -7.420 ATOM 5983 C ASN A 401 37.708 -7.161 -9.024 ATOM 5984 O ASN A 401 38.686 -7.909 -9.142 ATOM 5985 N TYR A 402 37.464 -6.160 -9.873 -ATOM 5986 HN TYR A 402 36.622 -5.631 -9.780 +ATOM 5986 H TYR A 402 36.622 -5.631 -9.780 ATOM 5987 CA TYR A 402 38.407 -5.825 -10.935 ATOM 5988 HA TYR A 402 38.515 -6.682 -11.591 ATOM 5989 CB TYR A 402 37.870 -4.644 -11.745 -ATOM 5990 HB1 TYR A 402 36.926 -4.835 -12.298 +ATOM 5990 HB3 TYR A 402 36.926 -4.835 -12.298 ATOM 5991 HB2 TYR A 402 37.633 -3.731 -11.158 ATOM 5992 CG TYR A 402 38.795 -4.121 -12.825 ATOM 5993 CD1 TYR A 402 38.913 -4.775 -14.046 @@ -6006,11 +6006,11 @@ ATOM 6003 HE2 TYR A 402 40.942 -1.565 -13.445 ATOM 6004 C TYR A 402 39.784 -5.509 -10.362 ATOM 6005 O TYR A 402 40.806 -5.972 -10.881 ATOM 6006 N PHE A 403 39.829 -4.731 -9.278 -ATOM 6007 HN PHE A 403 38.983 -4.376 -8.883 +ATOM 6007 H PHE A 403 38.983 -4.376 -8.883 ATOM 6008 CA PHE A 403 41.114 -4.400 -8.671 ATOM 6009 HA PHE A 403 41.737 -3.973 -9.448 ATOM 6010 CB PHE A 403 40.937 -3.376 -7.552 -ATOM 6011 HB1 PHE A 403 40.728 -2.351 -7.927 +ATOM 6011 HB3 PHE A 403 40.728 -2.351 -7.927 ATOM 6012 HB2 PHE A 403 40.098 -3.619 -6.866 ATOM 6013 CG PHE A 403 42.149 -3.244 -6.675 ATOM 6014 CD1 PHE A 403 43.220 -2.466 -7.076 @@ -6026,14 +6026,14 @@ ATOM 6023 HE2 PHE A 403 43.411 -4.343 -3.731 ATOM 6024 C PHE A 403 41.805 -5.640 -8.124 ATOM 6025 O PHE A 403 42.982 -5.888 -8.415 ATOM 6026 N GLN A 404 41.092 -6.418 -7.302 -ATOM 6027 HN GLN A 404 40.120 -6.234 -7.162 +ATOM 6027 H GLN A 404 40.120 -6.234 -7.162 ATOM 6028 CA GLN A 404 41.727 -7.534 -6.609 ATOM 6029 HA GLN A 404 42.572 -7.140 -6.056 ATOM 6030 CB GLN A 404 40.744 -8.177 -5.628 -ATOM 6031 HB1 GLN A 404 40.344 -7.476 -4.865 +ATOM 6031 HB3 GLN A 404 40.344 -7.476 -4.865 ATOM 6032 HB2 GLN A 404 39.842 -8.610 -6.111 ATOM 6033 CG GLN A 404 41.337 -9.327 -4.820 -ATOM 6034 HG1 GLN A 404 40.621 -9.738 -4.076 +ATOM 6034 HG3 GLN A 404 40.621 -9.738 -4.076 ATOM 6035 HG2 GLN A 404 41.645 -10.182 -5.459 ATOM 6036 CD GLN A 404 42.575 -8.912 -4.037 ATOM 6037 OE1 GLN A 404 42.658 -7.791 -3.531 @@ -6043,14 +6043,14 @@ ATOM 6040 HE22 GLN A 404 43.479 -10.722 -4.352 ATOM 6041 C GLN A 404 42.262 -8.572 -7.583 ATOM 6042 O GLN A 404 43.306 -9.180 -7.325 ATOM 6043 N GLN A 405 41.580 -8.776 -8.711 -ATOM 6044 HN GLN A 405 40.734 -8.272 -8.878 +ATOM 6044 H GLN A 405 40.734 -8.272 -8.878 ATOM 6045 CA GLN A 405 42.064 -9.731 -9.702 ATOM 6046 HA GLN A 405 42.217 -10.685 -9.211 ATOM 6047 CB GLN A 405 41.028 -9.907 -10.810 -ATOM 6048 HB1 GLN A 405 40.549 -8.957 -11.129 +ATOM 6048 HB3 GLN A 405 40.549 -8.957 -11.129 ATOM 6049 HB2 GLN A 405 41.441 -10.346 -11.743 ATOM 6050 CG GLN A 405 39.875 -10.816 -10.429 -ATOM 6051 HG1 GLN A 405 39.202 -10.352 -9.677 +ATOM 6051 HG3 GLN A 405 39.202 -10.352 -9.677 ATOM 6052 HG2 GLN A 405 39.238 -11.079 -11.301 ATOM 6053 CD GLN A 405 40.347 -12.127 -9.831 ATOM 6054 OE1 GLN A 405 40.970 -12.942 -10.511 @@ -6060,20 +6060,20 @@ ATOM 6057 HE22 GLN A 405 39.553 -11.671 -7.998 ATOM 6058 C GLN A 405 43.398 -9.285 -10.283 ATOM 6059 O GLN A 405 44.343 -10.077 -10.382 ATOM 6060 N LYS A 406 43.493 -8.015 -10.678 -ATOM 6061 HN LYS A 406 42.709 -7.403 -10.582 +ATOM 6061 H LYS A 406 42.709 -7.403 -10.582 ATOM 6062 CA LYS A 406 44.740 -7.518 -11.250 ATOM 6063 HA LYS A 406 45.072 -8.218 -12.008 ATOM 6064 CB LYS A 406 44.508 -6.158 -11.904 -ATOM 6065 HB1 LYS A 406 44.112 -5.389 -11.207 +ATOM 6065 HB3 LYS A 406 44.112 -5.389 -11.207 ATOM 6066 HB2 LYS A 406 45.427 -5.707 -12.335 ATOM 6067 CG LYS A 406 43.514 -6.194 -13.052 -ATOM 6068 HG1 LYS A 406 43.876 -6.839 -13.881 +ATOM 6068 HG3 LYS A 406 43.876 -6.839 -13.881 ATOM 6069 HG2 LYS A 406 42.530 -6.593 -12.724 ATOM 6070 CD LYS A 406 43.277 -4.806 -13.623 -ATOM 6071 HD1 LYS A 406 43.838 -4.036 -13.052 +ATOM 6071 HD3 LYS A 406 43.838 -4.036 -13.052 ATOM 6072 HD2 LYS A 406 42.200 -4.536 -13.587 ATOM 6073 CE LYS A 406 43.725 -4.725 -15.072 -ATOM 6074 HE1 LYS A 406 43.371 -3.791 -15.559 +ATOM 6074 HE3 LYS A 406 43.371 -3.791 -15.559 ATOM 6075 HE2 LYS A 406 43.335 -5.576 -15.670 ATOM 6076 NZ LYS A 406 45.209 -4.748 -15.191 ATOM 6077 HZ1 LYS A 406 45.504 -4.695 -16.144 @@ -6082,7 +6082,7 @@ ATOM 6079 HZ3 LYS A 406 45.597 -5.585 -14.809 ATOM 6080 C LYS A 406 45.836 -7.433 -10.195 ATOM 6081 O LYS A 406 46.995 -7.766 -10.470 ATOM 6082 N ALA A 407 45.492 -6.991 -8.983 -ATOM 6083 HN ALA A 407 44.557 -6.681 -8.815 +ATOM 6083 H ALA A 407 44.557 -6.681 -8.815 ATOM 6084 CA ALA A 407 46.472 -6.958 -7.902 ATOM 6085 HA ALA A 407 47.318 -6.363 -8.226 ATOM 6086 CB ALA A 407 45.863 -6.309 -6.658 @@ -6092,14 +6092,14 @@ ATOM 6089 HB3 ALA A 407 44.977 -6.887 -6.320 ATOM 6090 C ALA A 407 46.979 -8.359 -7.583 ATOM 6091 O ALA A 407 48.183 -8.570 -7.399 ATOM 6092 N GLN A 408 46.066 -9.332 -7.523 -ATOM 6093 HN GLN A 408 45.105 -9.117 -7.693 +ATOM 6093 H GLN A 408 45.105 -9.117 -7.693 ATOM 6094 CA GLN A 408 46.453 -10.704 -7.213 ATOM 6095 HA GLN A 408 46.966 -10.711 -6.258 ATOM 6096 CB GLN A 408 45.204 -11.580 -7.110 -ATOM 6097 HB1 GLN A 408 44.782 -11.691 -6.088 +ATOM 6097 HB3 GLN A 408 44.782 -11.691 -6.088 ATOM 6098 HB2 GLN A 408 44.330 -11.236 -7.703 ATOM 6099 CG GLN A 408 45.377 -13.019 -7.564 -ATOM 6100 HG1 GLN A 408 46.112 -13.122 -8.391 +ATOM 6100 HG3 GLN A 408 46.112 -13.122 -8.391 ATOM 6101 HG2 GLN A 408 45.735 -13.685 -6.750 ATOM 6102 CD GLN A 408 44.082 -13.633 -8.072 ATOM 6103 OE1 GLN A 408 43.208 -14.006 -7.290 @@ -6109,11 +6109,11 @@ ATOM 6106 HE22 GLN A 408 44.667 -13.442 -10.025 ATOM 6107 C GLN A 408 47.428 -11.256 -8.248 ATOM 6108 O GLN A 408 48.346 -12.011 -7.905 ATOM 6109 N ASP A 409 47.255 -10.881 -9.518 -ATOM 6110 HN ASP A 409 46.494 -10.282 -9.763 +ATOM 6110 H ASP A 409 46.494 -10.282 -9.763 ATOM 6111 CA ASP A 409 48.179 -11.347 -10.548 ATOM 6112 HA ASP A 409 48.235 -12.428 -10.484 ATOM 6113 CB ASP A 409 47.668 -10.958 -11.933 -ATOM 6114 HB1 ASP A 409 46.718 -11.471 -12.197 +ATOM 6114 HB3 ASP A 409 46.718 -11.471 -12.197 ATOM 6115 HB2 ASP A 409 47.467 -9.869 -12.023 ATOM 6116 CG ASP A 409 48.655 -11.300 -13.036 ATOM 6117 OD1 ASP A 409 48.869 -12.505 -13.286 @@ -6121,20 +6121,20 @@ ATOM 6118 OD2 ASP A 409 49.210 -10.366 -13.654 ATOM 6119 C ASP A 409 49.578 -10.788 -10.325 ATOM 6120 O ASP A 409 50.575 -11.498 -10.508 ATOM 6121 N LYS A 410 49.674 -9.512 -9.940 -ATOM 6122 HN LYS A 410 48.848 -8.960 -9.837 +ATOM 6122 H LYS A 410 48.848 -8.960 -9.837 ATOM 6123 CA LYS A 410 50.980 -8.921 -9.670 ATOM 6124 HA LYS A 410 51.614 -9.087 -10.533 ATOM 6125 CB LYS A 410 50.839 -7.415 -9.444 -ATOM 6126 HB1 LYS A 410 50.173 -7.144 -8.597 +ATOM 6126 HB3 LYS A 410 50.173 -7.144 -8.597 ATOM 6127 HB2 LYS A 410 51.797 -6.898 -9.221 ATOM 6128 CG LYS A 410 50.268 -6.660 -10.633 -ATOM 6129 HG1 LYS A 410 49.186 -6.877 -10.759 +ATOM 6129 HG3 LYS A 410 49.186 -6.877 -10.759 ATOM 6130 HG2 LYS A 410 50.384 -5.563 -10.500 ATOM 6131 CD LYS A 410 50.977 -7.053 -11.918 -ATOM 6132 HD1 LYS A 410 50.638 -8.046 -12.283 +ATOM 6132 HD3 LYS A 410 50.638 -8.046 -12.283 ATOM 6133 HD2 LYS A 410 52.077 -7.110 -11.775 ATOM 6134 CE LYS A 410 50.716 -6.049 -13.028 -ATOM 6135 HE1 LYS A 410 50.904 -5.008 -12.689 +ATOM 6135 HE3 LYS A 410 50.904 -5.008 -12.689 ATOM 6136 HE2 LYS A 410 49.664 -6.096 -13.383 ATOM 6137 NZ LYS A 410 51.592 -6.296 -14.207 ATOM 6138 HZ1 LYS A 410 51.420 -5.636 -14.937 @@ -6143,7 +6143,7 @@ ATOM 6140 HZ3 LYS A 410 51.444 -7.207 -14.590 ATOM 6141 C LYS A 410 51.643 -9.583 -8.472 ATOM 6142 O LYS A 410 52.865 -9.773 -8.455 ATOM 6143 N ALA A 411 50.850 -9.947 -7.461 -ATOM 6144 HN ALA A 411 49.872 -9.747 -7.501 +ATOM 6144 H ALA A 411 49.872 -9.747 -7.501 ATOM 6145 CA ALA A 411 51.402 -10.635 -6.299 ATOM 6146 HA ALA A 411 52.186 -10.015 -5.880 ATOM 6147 CB ALA A 411 50.317 -10.839 -5.243 @@ -6153,11 +6153,11 @@ ATOM 6150 HB3 ALA A 411 49.487 -11.450 -5.659 ATOM 6151 C ALA A 411 52.024 -11.968 -6.691 ATOM 6152 O ALA A 411 53.119 -12.309 -6.230 ATOM 6153 N TYR A 412 51.339 -12.736 -7.543 -ATOM 6154 HN TYR A 412 50.440 -12.442 -7.864 +ATOM 6154 H TYR A 412 50.440 -12.442 -7.864 ATOM 6155 CA TYR A 412 51.898 -14.003 -8.008 ATOM 6156 HA TYR A 412 52.126 -14.606 -7.137 ATOM 6157 CB TYR A 412 50.883 -14.746 -8.877 -ATOM 6158 HB1 TYR A 412 50.470 -14.163 -9.728 +ATOM 6158 HB3 TYR A 412 50.470 -14.163 -9.728 ATOM 6159 HB2 TYR A 412 51.262 -15.669 -9.365 ATOM 6160 CG TYR A 412 49.643 -15.224 -8.156 ATOM 6161 CD1 TYR A 412 49.664 -15.505 -6.796 @@ -6174,20 +6174,20 @@ ATOM 6171 HE2 TYR A 412 46.394 -15.974 -8.760 ATOM 6172 C TYR A 412 53.188 -13.782 -8.785 ATOM 6173 O TYR A 412 54.165 -14.517 -8.599 ATOM 6174 N LYS A 413 53.209 -12.780 -9.669 -ATOM 6175 HN LYS A 413 52.388 -12.232 -9.820 +ATOM 6175 H LYS A 413 52.388 -12.232 -9.820 ATOM 6176 CA LYS A 413 54.429 -12.484 -10.415 ATOM 6177 HA LYS A 413 54.754 -13.395 -10.905 ATOM 6178 CB LYS A 413 54.155 -11.421 -11.481 -ATOM 6179 HB1 LYS A 413 53.403 -11.722 -12.241 +ATOM 6179 HB3 LYS A 413 53.403 -11.722 -12.241 ATOM 6180 HB2 LYS A 413 53.770 -10.460 -11.078 ATOM 6181 CG LYS A 413 55.381 -11.024 -12.298 -ATOM 6182 HG1 LYS A 413 56.002 -10.274 -11.764 +ATOM 6182 HG3 LYS A 413 56.002 -10.274 -11.764 ATOM 6183 HG2 LYS A 413 56.031 -11.900 -12.511 ATOM 6184 CD LYS A 413 54.988 -10.415 -13.637 -ATOM 6185 HD1 LYS A 413 54.311 -9.544 -13.508 +ATOM 6185 HD3 LYS A 413 54.311 -9.544 -13.508 ATOM 6186 HD2 LYS A 413 54.460 -11.150 -14.282 ATOM 6187 CE LYS A 413 56.207 -9.928 -14.412 -ATOM 6188 HE1 LYS A 413 56.657 -9.017 -13.962 +ATOM 6188 HE3 LYS A 413 56.657 -9.017 -13.962 ATOM 6189 HE2 LYS A 413 55.963 -9.671 -15.465 ATOM 6190 NZ LYS A 413 57.289 -10.951 -14.467 ATOM 6191 HZ1 LYS A 413 58.088 -10.632 -14.975 @@ -6196,7 +6196,7 @@ ATOM 6193 HZ3 LYS A 413 56.991 -11.795 -14.910 ATOM 6194 C LYS A 413 55.543 -12.028 -9.484 ATOM 6195 O LYS A 413 56.717 -12.349 -9.701 ATOM 6196 N ALA A 414 55.191 -11.286 -8.434 -ATOM 6197 HN ALA A 414 54.227 -11.081 -8.272 +ATOM 6197 H ALA A 414 54.227 -11.081 -8.272 ATOM 6198 CA ALA A 414 56.205 -10.771 -7.521 ATOM 6199 HA ALA A 414 56.987 -10.302 -8.107 ATOM 6200 CB ALA A 414 55.588 -9.729 -6.595 @@ -6206,11 +6206,11 @@ ATOM 6203 HB3 ALA A 414 54.767 -10.188 -6.004 ATOM 6204 C ALA A 414 56.845 -11.895 -6.717 ATOM 6205 O ALA A 414 58.073 -11.959 -6.590 ATOM 6206 N PHE A 415 56.031 -12.792 -6.166 -ATOM 6207 HN PHE A 415 55.043 -12.697 -6.282 +ATOM 6207 H PHE A 415 55.043 -12.697 -6.282 ATOM 6208 CA PHE A 415 56.559 -13.910 -5.397 ATOM 6209 HA PHE A 415 57.429 -13.546 -4.863 ATOM 6210 CB PHE A 415 55.509 -14.403 -4.396 -ATOM 6211 HB1 PHE A 415 54.487 -14.485 -4.823 +ATOM 6211 HB3 PHE A 415 54.487 -14.485 -4.823 ATOM 6212 HB2 PHE A 415 55.725 -15.410 -3.979 ATOM 6213 CG PHE A 415 55.353 -13.512 -3.191 ATOM 6214 CD1 PHE A 415 54.496 -12.424 -3.222 @@ -6226,27 +6226,27 @@ ATOM 6223 HE2 PHE A 415 56.503 -13.145 -0.025 ATOM 6224 C PHE A 415 57.032 -15.060 -6.277 ATOM 6225 O PHE A 415 57.514 -16.066 -5.745 ATOM 6226 N GLY A 416 56.916 -14.935 -7.599 -ATOM 6227 HN GLY A 416 56.467 -14.127 -7.977 +ATOM 6227 H GLY A 416 56.467 -14.127 -7.977 ATOM 6228 CA GLY A 416 57.429 -15.949 -8.498 -ATOM 6229 HA1 GLY A 416 57.375 -15.689 -9.577 +ATOM 6229 HA3 GLY A 416 57.375 -15.689 -9.577 ATOM 6230 HA2 GLY A 416 58.498 -16.211 -8.348 ATOM 6231 C GLY A 416 56.726 -17.282 -8.421 ATOM 6232 O GLY A 416 57.284 -18.292 -8.857 ATOM 6233 N LYS A 417 55.513 -17.313 -7.878 -ATOM 6234 HN LYS A 417 55.110 -16.453 -7.568 +ATOM 6234 H LYS A 417 55.110 -16.453 -7.568 ATOM 6235 CA LYS A 417 54.743 -18.538 -7.712 ATOM 6236 HA LYS A 417 54.681 -19.050 -8.665 ATOM 6237 CB LYS A 417 55.412 -19.503 -6.726 -ATOM 6238 HB1 LYS A 417 54.966 -20.520 -6.737 +ATOM 6238 HB3 LYS A 417 54.966 -20.520 -6.737 ATOM 6239 HB2 LYS A 417 56.495 -19.652 -6.925 ATOM 6240 CG LYS A 417 55.326 -19.038 -5.278 -ATOM 6241 HG1 LYS A 417 55.623 -17.974 -5.156 +ATOM 6241 HG3 LYS A 417 55.623 -17.974 -5.156 ATOM 6242 HG2 LYS A 417 54.298 -19.125 -4.865 ATOM 6243 CD LYS A 417 56.228 -19.843 -4.356 -ATOM 6244 HD1 LYS A 417 57.244 -19.952 -4.793 +ATOM 6244 HD3 LYS A 417 57.244 -19.952 -4.793 ATOM 6245 HD2 LYS A 417 55.815 -20.861 -4.188 ATOM 6246 CE LYS A 417 56.367 -19.159 -2.999 -ATOM 6247 HE1 LYS A 417 55.448 -19.254 -2.382 +ATOM 6247 HE3 LYS A 417 55.448 -19.254 -2.382 ATOM 6248 HE2 LYS A 417 56.572 -18.071 -3.093 ATOM 6249 NZ LYS A 417 57.479 -19.729 -2.189 ATOM 6250 HZ1 LYS A 417 57.570 -19.281 -1.301 @@ -6255,20 +6255,20 @@ ATOM 6252 HZ3 LYS A 417 58.364 -19.639 -2.643 ATOM 6253 C LYS A 417 53.362 -18.157 -7.208 ATOM 6254 O LYS A 417 53.171 -17.082 -6.633 ATOM 6255 N LYS A 418 52.401 -19.050 -7.424 -ATOM 6256 HN LYS A 418 52.553 -19.813 -8.051 +ATOM 6256 H LYS A 418 52.553 -19.813 -8.051 ATOM 6257 CA LYS A 418 51.127 -18.906 -6.739 ATOM 6258 HA LYS A 418 50.813 -17.871 -6.806 ATOM 6259 CB LYS A 418 50.046 -19.764 -7.395 -ATOM 6260 HB1 LYS A 418 49.852 -19.490 -8.454 +ATOM 6260 HB3 LYS A 418 49.852 -19.490 -8.454 ATOM 6261 HB2 LYS A 418 50.295 -20.847 -7.410 ATOM 6262 CG LYS A 418 48.694 -19.667 -6.696 -ATOM 6263 HG1 LYS A 418 48.722 -20.129 -5.686 +ATOM 6263 HG3 LYS A 418 48.722 -20.129 -5.686 ATOM 6264 HG2 LYS A 418 48.376 -18.610 -6.567 ATOM 6265 CD LYS A 418 47.608 -20.371 -7.483 -ATOM 6266 HD1 LYS A 418 46.999 -21.036 -6.833 +ATOM 6266 HD3 LYS A 418 46.999 -21.036 -6.833 ATOM 6267 HD2 LYS A 418 48.034 -21.000 -8.293 ATOM 6268 CE LYS A 418 46.657 -19.378 -8.133 -ATOM 6269 HE1 LYS A 418 47.136 -18.834 -8.975 +ATOM 6269 HE3 LYS A 418 47.136 -18.834 -8.975 ATOM 6270 HE2 LYS A 418 46.302 -18.609 -7.413 ATOM 6271 NZ LYS A 418 45.444 -20.046 -8.684 ATOM 6272 HZ1 LYS A 418 44.819 -19.394 -9.111 @@ -6277,11 +6277,11 @@ ATOM 6274 HZ3 LYS A 418 44.925 -20.523 -7.976 ATOM 6275 C LYS A 418 51.294 -19.297 -5.277 ATOM 6276 O LYS A 418 52.012 -20.247 -4.951 ATOM 6277 N LEU A 419 50.643 -18.549 -4.395 -ATOM 6278 HN LEU A 419 50.068 -17.802 -4.725 +ATOM 6278 H LEU A 419 50.068 -17.802 -4.725 ATOM 6279 CA LEU A 419 50.741 -18.784 -2.963 ATOM 6280 HA LEU A 419 50.877 -19.843 -2.773 ATOM 6281 CB LEU A 419 51.964 -18.073 -2.362 -ATOM 6282 HB1 LEU A 419 52.377 -18.391 -1.381 +ATOM 6282 HB3 LEU A 419 52.377 -18.391 -1.381 ATOM 6283 HB2 LEU A 419 52.933 -18.059 -2.906 ATOM 6284 CG LEU A 419 51.919 -16.574 -2.052 ATOM 6285 HG LEU A 419 51.037 -16.380 -1.452 @@ -6297,24 +6297,24 @@ ATOM 6294 C LEU A 419 49.452 -18.305 -2.318 ATOM 6295 O LEU A 419 48.743 -17.470 -2.892 ATOM 6296 N PRO A 420 49.106 -18.827 -1.139 ATOM 6297 CD PRO A 420 49.821 -19.841 -0.346 -ATOM 6298 HD1 PRO A 420 50.617 -19.251 0.157 +ATOM 6298 HD3 PRO A 420 50.617 -19.251 0.157 ATOM 6299 HD2 PRO A 420 50.181 -20.555 -1.118 ATOM 6300 CA PRO A 420 47.851 -18.415 -0.501 ATOM 6301 HA PRO A 420 46.986 -18.585 -1.132 ATOM 6302 CB PRO A 420 47.818 -19.241 0.791 -ATOM 6303 HB1 PRO A 420 46.762 -19.565 0.906 +ATOM 6303 HB3 PRO A 420 46.762 -19.565 0.906 ATOM 6304 HB2 PRO A 420 48.154 -18.548 1.592 ATOM 6305 CG PRO A 420 48.758 -20.371 0.560 -ATOM 6306 HG1 PRO A 420 48.288 -21.217 0.015 +ATOM 6306 HG3 PRO A 420 48.288 -21.217 0.015 ATOM 6307 HG2 PRO A 420 49.280 -20.693 1.487 ATOM 6308 C PRO A 420 47.836 -16.923 -0.206 ATOM 6309 O PRO A 420 48.835 -16.343 0.224 ATOM 6310 N LEU A 421 46.684 -16.303 -0.450 -ATOM 6311 HN LEU A 421 45.932 -16.833 -0.839 +ATOM 6311 H LEU A 421 45.932 -16.833 -0.839 ATOM 6312 CA LEU A 421 46.467 -14.890 -0.178 ATOM 6313 HA LEU A 421 47.399 -14.459 0.170 ATOM 6314 CB LEU A 421 46.048 -14.135 -1.445 -ATOM 6315 HB1 LEU A 421 45.026 -14.343 -1.828 +ATOM 6315 HB3 LEU A 421 45.026 -14.343 -1.828 ATOM 6316 HB2 LEU A 421 46.044 -13.026 -1.380 ATOM 6317 CG LEU A 421 46.904 -14.372 -2.693 ATOM 6318 HG LEU A 421 46.921 -15.439 -2.884 @@ -6329,7 +6329,7 @@ ATOM 6326 HD23 LEU A 421 48.370 -12.823 -2.234 ATOM 6327 C LEU A 421 45.396 -14.745 0.892 ATOM 6328 O LEU A 421 44.435 -15.519 0.928 ATOM 6329 N ILE A 422 45.564 -13.755 1.766 -ATOM 6330 HN ILE A 422 46.361 -13.161 1.670 +ATOM 6330 H ILE A 422 46.361 -13.161 1.670 ATOM 6331 CA ILE A 422 44.631 -13.504 2.857 ATOM 6332 HA ILE A 422 43.937 -14.335 2.909 ATOM 6333 CB ILE A 422 45.340 -13.433 4.224 @@ -6339,20 +6339,20 @@ ATOM 6336 HG21 ILE A 422 44.833 -13.234 6.327 ATOM 6337 HG22 ILE A 422 43.626 -14.151 5.350 ATOM 6338 HG23 ILE A 422 43.727 -12.357 5.204 ATOM 6339 CG1 ILE A 422 46.180 -14.685 4.470 -ATOM 6340 HG11 ILE A 422 45.583 -15.622 4.483 +ATOM 6340 HG13 ILE A 422 45.583 -15.622 4.483 ATOM 6341 HG12 ILE A 422 46.964 -14.849 3.700 ATOM 6342 CD1 ILE A 422 46.921 -14.665 5.797 -ATOM 6343 HD1 ILE A 422 47.532 -15.576 5.976 -ATOM 6344 HD2 ILE A 422 46.248 -14.587 6.678 -ATOM 6345 HD3 ILE A 422 47.629 -13.815 5.895 +ATOM 6343 HD11 ILE A 422 47.532 -15.576 5.976 +ATOM 6344 HD12 ILE A 422 46.248 -14.587 6.678 +ATOM 6345 HD13 ILE A 422 47.629 -13.815 5.895 ATOM 6346 C ILE A 422 43.873 -12.214 2.578 ATOM 6347 O ILE A 422 44.455 -11.220 2.125 ATOM 6348 N LEU A 423 42.569 -12.242 2.838 -ATOM 6349 HN LEU A 423 42.148 -13.122 3.052 +ATOM 6349 H LEU A 423 42.148 -13.122 3.052 ATOM 6350 CA LEU A 423 41.725 -11.059 2.827 ATOM 6351 HA LEU A 423 42.366 -10.185 2.829 ATOM 6352 CB LEU A 423 40.853 -10.984 1.565 -ATOM 6353 HB1 LEU A 423 40.205 -11.851 1.314 +ATOM 6353 HB3 LEU A 423 40.205 -11.851 1.314 ATOM 6354 HB2 LEU A 423 40.096 -10.174 1.489 ATOM 6355 CG LEU A 423 41.540 -10.798 0.211 ATOM 6356 HG LEU A 423 42.242 -11.612 0.067 @@ -6367,11 +6367,11 @@ ATOM 6364 HD23 LEU A 423 41.678 -8.617 0.334 ATOM 6365 C LEU A 423 40.837 -11.078 4.063 ATOM 6366 O LEU A 423 40.493 -12.143 4.582 ATOM 6367 N TRP A 424 40.479 -9.889 4.535 -ATOM 6368 HN TRP A 424 40.840 -9.061 4.109 +ATOM 6368 H TRP A 424 40.840 -9.061 4.109 ATOM 6369 CA TRP A 424 39.569 -9.775 5.663 ATOM 6370 HA TRP A 424 39.881 -10.488 6.417 ATOM 6371 CB TRP A 424 39.619 -8.367 6.257 -ATOM 6372 HB1 TRP A 424 39.660 -7.554 5.501 +ATOM 6372 HB3 TRP A 424 39.660 -7.554 5.501 ATOM 6373 HB2 TRP A 424 38.744 -8.108 6.891 ATOM 6374 CG TRP A 424 40.802 -8.113 7.137 ATOM 6375 CD1 TRP A 424 41.970 -7.497 6.786 @@ -6391,7 +6391,7 @@ ATOM 6388 HH2 TRP A 424 42.150 -9.000 12.146 ATOM 6389 C TRP A 424 38.140 -10.093 5.231 ATOM 6390 O TRP A 424 37.786 -10.015 4.051 ATOM 6391 N THR A 425 37.313 -10.460 6.208 -ATOM 6392 HN THR A 425 37.679 -10.707 7.104 +ATOM 6392 H THR A 425 37.679 -10.707 7.104 ATOM 6393 CA THR A 425 35.877 -10.502 5.973 ATOM 6394 HA THR A 425 35.676 -11.180 5.152 ATOM 6395 CB THR A 425 35.128 -11.024 7.203 @@ -6405,18 +6405,18 @@ ATOM 6402 HG23 THR A 425 35.042 -13.098 6.529 ATOM 6403 C THR A 425 35.395 -9.102 5.627 ATOM 6404 O THR A 425 35.721 -8.133 6.318 ATOM 6405 N SER A 426 34.629 -8.994 4.548 -ATOM 6406 HN SER A 426 34.350 -9.820 4.061 +ATOM 6406 H SER A 426 34.350 -9.820 4.061 ATOM 6407 CA SER A 426 34.187 -7.695 4.061 ATOM 6408 HA SER A 426 33.892 -7.075 4.900 ATOM 6409 CB SER A 426 35.322 -6.961 3.341 -ATOM 6410 HB1 SER A 426 35.056 -5.901 3.143 +ATOM 6410 HB3 SER A 426 35.056 -5.901 3.143 ATOM 6411 HB2 SER A 426 36.254 -6.965 3.946 ATOM 6412 OG SER A 426 35.619 -7.567 2.094 -ATOM 6413 HG1 SER A 426 36.335 -7.104 1.640 +ATOM 6413 HG SER A 426 36.335 -7.104 1.640 ATOM 6414 C SER A 426 32.994 -7.902 3.138 ATOM 6415 O SER A 426 32.512 -9.023 2.951 ATOM 6416 N THR A 427 32.518 -6.794 2.566 -ATOM 6417 HN THR A 427 32.855 -5.903 2.866 +ATOM 6417 H THR A 427 32.855 -5.903 2.866 ATOM 6418 CA THR A 427 31.514 -6.863 1.510 ATOM 6419 HA THR A 427 30.610 -7.301 1.917 ATOM 6420 CB THR A 427 31.201 -5.452 1.002 @@ -6430,11 +6430,11 @@ ATOM 6427 HG23 THR A 427 30.889 -6.040 -1.080 ATOM 6428 C THR A 427 31.989 -7.751 0.367 ATOM 6429 O THR A 427 31.213 -8.538 -0.188 ATOM 6430 N LEU A 428 33.276 -7.655 0.021 -ATOM 6431 HN LEU A 428 33.876 -7.037 0.527 +ATOM 6431 H LEU A 428 33.876 -7.037 0.527 ATOM 6432 CA LEU A 428 33.819 -8.437 -1.084 ATOM 6433 HA LEU A 428 33.187 -8.263 -1.947 ATOM 6434 CB LEU A 428 35.247 -7.987 -1.392 -ATOM 6435 HB1 LEU A 428 35.386 -6.900 -1.578 +ATOM 6435 HB3 LEU A 428 35.386 -6.900 -1.578 ATOM 6436 HB2 LEU A 428 36.002 -8.189 -0.602 ATOM 6437 CG LEU A 428 35.895 -8.613 -2.628 ATOM 6438 HG LEU A 428 35.658 -9.671 -2.643 @@ -6449,7 +6449,7 @@ ATOM 6446 HD23 LEU A 428 37.704 -7.406 -2.530 ATOM 6447 C LEU A 428 33.797 -9.932 -0.793 ATOM 6448 O LEU A 428 33.578 -10.735 -1.707 ATOM 6449 N THR A 429 34.022 -10.326 0.460 -ATOM 6450 HN THR A 429 34.118 -9.634 1.174 +ATOM 6450 H THR A 429 34.118 -9.634 1.174 ATOM 6451 CA THR A 429 34.133 -11.732 0.824 ATOM 6452 HA THR A 429 34.232 -12.285 -0.103 ATOM 6453 CB THR A 429 35.368 -11.957 1.700 @@ -6463,11 +6463,11 @@ ATOM 6460 HG23 THR A 429 36.703 -12.305 0.024 ATOM 6461 C THR A 429 32.893 -12.265 1.530 ATOM 6462 O THR A 429 32.965 -13.321 2.166 ATOM 6463 N ASN A 430 31.769 -11.551 1.452 -ATOM 6464 HN ASN A 430 31.808 -10.612 1.112 +ATOM 6464 H ASN A 430 31.808 -10.612 1.112 ATOM 6465 CA ASN A 430 30.485 -12.113 1.853 ATOM 6466 HA ASN A 430 30.461 -12.235 2.930 ATOM 6467 CB ASN A 430 29.352 -11.163 1.444 -ATOM 6468 HB1 ASN A 430 29.515 -10.117 1.781 +ATOM 6468 HB3 ASN A 430 29.515 -10.117 1.781 ATOM 6469 HB2 ASN A 430 29.208 -11.101 0.344 ATOM 6470 CG ASN A 430 27.994 -11.567 2.011 ATOM 6471 OD1 ASN A 430 27.658 -12.749 2.093 @@ -6477,11 +6477,11 @@ ATOM 6474 HD22 ASN A 430 27.473 -9.614 2.323 ATOM 6475 C ASN A 430 30.302 -13.475 1.199 ATOM 6476 O ASN A 430 30.428 -13.610 -0.021 ATOM 6477 N TYR A 431 30.020 -14.490 2.020 -ATOM 6478 HN TYR A 431 29.853 -14.313 2.989 +ATOM 6478 H TYR A 431 29.853 -14.313 2.989 ATOM 6479 CA TYR A 431 29.954 -15.855 1.510 ATOM 6480 HA TYR A 431 30.907 -16.070 1.041 ATOM 6481 CB TYR A 431 29.723 -16.841 2.661 -ATOM 6482 HB1 TYR A 431 29.980 -17.899 2.440 +ATOM 6482 HB3 TYR A 431 29.980 -17.899 2.440 ATOM 6483 HB2 TYR A 431 30.297 -16.633 3.589 ATOM 6484 CG TYR A 431 28.294 -16.935 3.159 ATOM 6485 CD1 TYR A 431 27.398 -17.838 2.595 @@ -6498,20 +6498,20 @@ ATOM 6495 HE2 TYR A 431 26.219 -15.602 5.491 ATOM 6496 C TYR A 431 28.883 -16.023 0.441 ATOM 6497 O TYR A 431 28.971 -16.954 -0.366 ATOM 6498 N LYS A 432 27.885 -15.135 0.406 -ATOM 6499 HN LYS A 432 27.874 -14.375 1.055 +ATOM 6499 H LYS A 432 27.874 -14.375 1.055 ATOM 6500 CA LYS A 432 26.811 -15.266 -0.572 ATOM 6501 HA LYS A 432 26.428 -16.278 -0.511 ATOM 6502 CB LYS A 432 25.689 -14.277 -0.248 -ATOM 6503 HB1 LYS A 432 26.032 -13.230 -0.107 +ATOM 6503 HB3 LYS A 432 26.032 -13.230 -0.107 ATOM 6504 HB2 LYS A 432 24.904 -14.207 -1.031 ATOM 6505 CG LYS A 432 24.923 -14.598 1.027 -ATOM 6506 HG1 LYS A 432 24.391 -15.570 0.944 +ATOM 6506 HG3 LYS A 432 24.391 -15.570 0.944 ATOM 6507 HG2 LYS A 432 25.605 -14.662 1.902 ATOM 6508 CD LYS A 432 23.883 -13.529 1.331 -ATOM 6509 HD1 LYS A 432 23.337 -13.218 0.415 +ATOM 6509 HD3 LYS A 432 23.337 -13.218 0.415 ATOM 6510 HD2 LYS A 432 24.348 -12.617 1.763 ATOM 6511 CE LYS A 432 22.847 -14.024 2.329 -ATOM 6512 HE1 LYS A 432 22.257 -14.877 1.932 +ATOM 6512 HE3 LYS A 432 22.257 -14.877 1.932 ATOM 6513 HE2 LYS A 432 22.117 -13.232 2.603 ATOM 6514 NZ LYS A 432 23.468 -14.489 3.598 ATOM 6515 HZ1 LYS A 432 22.788 -14.814 4.253 @@ -6519,25 +6519,25 @@ ATOM 6516 HZ2 LYS A 432 24.107 -15.243 3.451 ATOM 6517 HZ3 LYS A 432 23.981 -13.763 4.054 ATOM 6518 C LYS A 432 27.309 -15.058 -1.997 ATOM 6519 O LYS A 432 26.736 -15.620 -2.937 -ATOM 6520 N HSE A 433 28.371 -14.268 -2.184 -ATOM 6521 HN HSE A 433 28.815 -13.841 -1.398 -ATOM 6522 CA HSE A 433 28.887 -14.025 -3.525 -ATOM 6523 HA HSE A 433 28.471 -14.804 -4.154 -ATOM 6524 CB HSE A 433 28.447 -12.644 -4.022 -ATOM 6525 HB1 HSE A 433 28.917 -12.340 -4.982 -ATOM 6526 HB2 HSE A 433 27.354 -12.558 -4.204 -ATOM 6527 ND1 HSE A 433 27.801 -10.677 -2.578 -ATOM 6528 CG HSE A 433 28.763 -11.529 -3.075 -ATOM 6529 CE1 HSE A 433 28.368 -9.800 -1.769 -ATOM 6530 HE1 HSE A 433 27.857 -9.008 -1.234 -ATOM 6531 NE2 HSE A 433 29.663 -10.053 -1.723 -ATOM 6532 HE2 HSE A 433 30.335 -9.543 -1.188 -ATOM 6533 CD2 HSE A 433 29.936 -11.130 -2.530 -ATOM 6534 HD2 HSE A 433 30.909 -11.577 -2.699 -ATOM 6535 C HSE A 433 30.405 -14.133 -3.617 -ATOM 6536 O HSE A 433 30.970 -13.754 -4.650 +ATOM 6520 N HIE A 433 28.371 -14.268 -2.184 +ATOM 6521 H HIE A 433 28.815 -13.841 -1.398 +ATOM 6522 CA HIE A 433 28.887 -14.025 -3.525 +ATOM 6523 HA HIE A 433 28.471 -14.804 -4.154 +ATOM 6524 CB HIE A 433 28.447 -12.644 -4.022 +ATOM 6525 HB3 HIE A 433 28.917 -12.340 -4.982 +ATOM 6526 HB2 HIE A 433 27.354 -12.558 -4.204 +ATOM 6527 ND1 HIE A 433 27.801 -10.677 -2.578 +ATOM 6528 CG HIE A 433 28.763 -11.529 -3.075 +ATOM 6529 CE1 HIE A 433 28.368 -9.800 -1.769 +ATOM 6530 HE1 HIE A 433 27.857 -9.008 -1.234 +ATOM 6531 NE2 HIE A 433 29.663 -10.053 -1.723 +ATOM 6532 HE2 HIE A 433 30.335 -9.543 -1.188 +ATOM 6533 CD2 HIE A 433 29.936 -11.130 -2.530 +ATOM 6534 HD2 HIE A 433 30.909 -11.577 -2.699 +ATOM 6535 C HIE A 433 30.405 -14.133 -3.617 +ATOM 6536 O HIE A 433 30.970 -13.754 -4.650 ATOM 6537 N ILE A 434 31.080 -14.637 -2.579 -ATOM 6538 HN ILE A 434 30.575 -14.998 -1.796 +ATOM 6538 H ILE A 434 30.575 -14.998 -1.796 ATOM 6539 CA ILE A 434 32.542 -14.671 -2.566 ATOM 6540 HA ILE A 434 32.918 -13.666 -2.722 ATOM 6541 CB ILE A 434 33.043 -15.166 -1.191 @@ -6547,20 +6547,20 @@ ATOM 6544 HG21 ILE A 434 32.926 -16.949 0.071 ATOM 6545 HG22 ILE A 434 32.945 -17.293 -1.694 ATOM 6546 HG23 ILE A 434 31.456 -16.647 -0.919 ATOM 6547 CG1 ILE A 434 34.569 -15.061 -1.090 -ATOM 6548 HG11 ILE A 434 35.110 -15.704 -1.817 +ATOM 6548 HG13 ILE A 434 35.110 -15.704 -1.817 ATOM 6549 HG12 ILE A 434 34.958 -14.036 -1.268 ATOM 6550 CD1 ILE A 434 35.120 -15.459 0.271 -ATOM 6551 HD1 ILE A 434 36.226 -15.383 0.344 -ATOM 6552 HD2 ILE A 434 34.885 -16.506 0.559 -ATOM 6553 HD3 ILE A 434 34.734 -14.838 1.108 +ATOM 6551 HD11 ILE A 434 36.226 -15.383 0.344 +ATOM 6552 HD12 ILE A 434 34.885 -16.506 0.559 +ATOM 6553 HD13 ILE A 434 34.734 -14.838 1.108 ATOM 6554 C ILE A 434 33.082 -15.526 -3.705 ATOM 6555 O ILE A 434 34.176 -15.268 -4.223 ATOM 6556 N ASP A 435 32.326 -16.542 -4.126 -ATOM 6557 HN ASP A 435 31.432 -16.693 -3.707 +ATOM 6557 H ASP A 435 31.432 -16.693 -3.707 ATOM 6558 CA ASP A 435 32.777 -17.435 -5.184 ATOM 6559 HA ASP A 435 33.808 -17.681 -4.957 ATOM 6560 CB ASP A 435 31.916 -18.701 -5.210 -ATOM 6561 HB1 ASP A 435 30.844 -18.496 -5.002 +ATOM 6561 HB3 ASP A 435 30.844 -18.496 -5.002 ATOM 6562 HB2 ASP A 435 31.943 -19.220 -6.192 ATOM 6563 CG ASP A 435 32.352 -19.729 -4.183 ATOM 6564 OD1 ASP A 435 33.538 -19.716 -3.790 @@ -6568,11 +6568,11 @@ ATOM 6565 OD2 ASP A 435 31.508 -20.555 -3.772 ATOM 6566 C ASP A 435 32.755 -16.788 -6.561 ATOM 6567 O ASP A 435 33.276 -17.387 -7.506 ATOM 6568 N ASP A 436 32.170 -15.595 -6.702 -ATOM 6569 HN ASP A 436 31.811 -15.118 -5.901 +ATOM 6569 H ASP A 436 31.811 -15.118 -5.901 ATOM 6570 CA ASP A 436 32.055 -14.987 -8.025 ATOM 6571 HA ASP A 436 31.509 -15.671 -8.664 ATOM 6572 CB ASP A 436 31.278 -13.674 -7.936 -ATOM 6573 HB1 ASP A 436 31.622 -13.033 -7.096 +ATOM 6573 HB3 ASP A 436 31.622 -13.033 -7.096 ATOM 6574 HB2 ASP A 436 31.375 -13.060 -8.857 ATOM 6575 CG ASP A 436 29.792 -13.893 -7.724 ATOM 6576 OD1 ASP A 436 29.357 -15.063 -7.714 @@ -6580,11 +6580,11 @@ ATOM 6577 OD2 ASP A 436 29.057 -12.896 -7.567 ATOM 6578 C ASP A 436 33.423 -14.768 -8.658 ATOM 6579 O ASP A 436 33.586 -14.939 -9.872 ATOM 6580 N TYR A 437 34.423 -14.409 -7.853 -ATOM 6581 HN TYR A 437 34.240 -14.230 -6.887 +ATOM 6581 H TYR A 437 34.240 -14.230 -6.887 ATOM 6582 CA TYR A 437 35.783 -14.275 -8.368 ATOM 6583 HA TYR A 437 35.797 -14.862 -9.279 ATOM 6584 CB TYR A 437 36.105 -12.805 -8.657 -ATOM 6585 HB1 TYR A 437 35.836 -12.133 -7.814 +ATOM 6585 HB3 TYR A 437 35.836 -12.133 -7.814 ATOM 6586 HB2 TYR A 437 37.185 -12.633 -8.854 ATOM 6587 CG TYR A 437 35.371 -12.274 -9.865 ATOM 6588 CD1 TYR A 437 35.604 -12.805 -11.126 @@ -6601,11 +6601,11 @@ ATOM 6598 HE2 TYR A 437 33.040 -9.968 -10.744 ATOM 6599 C TYR A 437 36.862 -14.852 -7.464 ATOM 6600 O TYR A 437 37.946 -15.162 -7.969 ATOM 6601 N LEU A 438 36.627 -15.016 -6.167 -ATOM 6602 HN LEU A 438 35.783 -14.656 -5.772 +ATOM 6602 H LEU A 438 35.783 -14.656 -5.772 ATOM 6603 CA LEU A 438 37.576 -15.709 -5.313 ATOM 6604 HA LEU A 438 38.574 -15.548 -5.704 ATOM 6605 CB LEU A 438 37.532 -15.153 -3.889 -ATOM 6606 HB1 LEU A 438 36.607 -15.342 -3.304 +ATOM 6606 HB3 LEU A 438 36.607 -15.342 -3.304 ATOM 6607 HB2 LEU A 438 38.309 -15.516 -3.183 ATOM 6608 CG LEU A 438 37.676 -13.636 -3.732 ATOM 6609 HG LEU A 438 36.796 -13.170 -4.160 @@ -6620,11 +6620,11 @@ ATOM 6617 HD23 LEU A 438 39.818 -13.620 -4.087 ATOM 6618 C LEU A 438 37.284 -17.209 -5.315 ATOM 6619 O LEU A 438 36.267 -17.672 -5.837 ATOM 6620 N ASN A 439 38.201 -17.974 -4.728 -ATOM 6621 HN ASN A 439 39.048 -17.554 -4.404 +ATOM 6621 H ASN A 439 39.048 -17.554 -4.404 ATOM 6622 CA ASN A 439 38.006 -19.404 -4.544 ATOM 6623 HA ASN A 439 36.947 -19.607 -4.436 ATOM 6624 CB ASN A 439 38.475 -20.209 -5.766 -ATOM 6625 HB1 ASN A 439 38.160 -21.274 -5.730 +ATOM 6625 HB3 ASN A 439 38.160 -21.274 -5.730 ATOM 6626 HB2 ASN A 439 38.081 -19.809 -6.725 ATOM 6627 CG ASN A 439 39.984 -20.230 -5.916 ATOM 6628 OD1 ASN A 439 40.685 -20.936 -5.192 @@ -6634,20 +6634,20 @@ ATOM 6631 HD22 ASN A 439 39.922 -18.896 -7.468 ATOM 6632 C ASN A 439 38.746 -19.832 -3.286 ATOM 6633 O ASN A 439 39.760 -19.236 -2.914 ATOM 6634 N LYS A 440 38.228 -20.876 -2.635 -ATOM 6635 HN LYS A 440 37.483 -21.395 -3.052 +ATOM 6635 H LYS A 440 37.483 -21.395 -3.052 ATOM 6636 CA LYS A 440 38.732 -21.271 -1.325 ATOM 6637 HA LYS A 440 38.800 -20.365 -0.734 ATOM 6638 CB LYS A 440 37.764 -22.260 -0.668 -ATOM 6639 HB1 LYS A 440 38.100 -22.662 0.312 +ATOM 6639 HB3 LYS A 440 38.100 -22.662 0.312 ATOM 6640 HB2 LYS A 440 36.755 -21.851 -0.449 ATOM 6641 CG LYS A 440 37.473 -23.510 -1.486 -ATOM 6642 HG1 LYS A 440 36.424 -23.853 -1.356 +ATOM 6642 HG3 LYS A 440 36.424 -23.853 -1.356 ATOM 6643 HG2 LYS A 440 37.626 -23.337 -2.573 ATOM 6644 CD LYS A 440 38.375 -24.669 -1.087 -ATOM 6645 HD1 LYS A 440 38.313 -24.871 0.004 +ATOM 6645 HD3 LYS A 440 38.313 -24.871 0.004 ATOM 6646 HD2 LYS A 440 39.438 -24.454 -1.329 ATOM 6647 CE LYS A 440 37.986 -25.946 -1.814 -ATOM 6648 HE1 LYS A 440 37.844 -25.772 -2.902 +ATOM 6648 HE3 LYS A 440 37.844 -25.772 -2.902 ATOM 6649 HE2 LYS A 440 37.036 -26.368 -1.422 ATOM 6650 NZ LYS A 440 39.029 -27.001 -1.670 ATOM 6651 HZ1 LYS A 440 38.773 -27.840 -2.148 @@ -6656,11 +6656,11 @@ ATOM 6653 HZ3 LYS A 440 39.181 -27.241 -0.712 ATOM 6654 C LYS A 440 40.132 -21.866 -1.370 ATOM 6655 O LYS A 440 40.731 -22.064 -0.307 ATOM 6656 N ASP A 441 40.667 -22.161 -2.553 -ATOM 6657 HN ASP A 441 40.137 -22.012 -3.387 +ATOM 6657 H ASP A 441 40.137 -22.012 -3.387 ATOM 6658 CA ASP A 441 42.018 -22.699 -2.643 ATOM 6659 HA ASP A 441 42.188 -23.264 -1.734 ATOM 6660 CB ASP A 441 42.149 -23.618 -3.862 -ATOM 6661 HB1 ASP A 441 41.537 -23.276 -4.724 +ATOM 6661 HB3 ASP A 441 41.537 -23.276 -4.724 ATOM 6662 HB2 ASP A 441 43.193 -23.689 -4.234 ATOM 6663 CG ASP A 441 41.707 -25.044 -3.571 ATOM 6664 OD1 ASP A 441 40.489 -25.312 -3.624 @@ -6668,11 +6668,11 @@ ATOM 6665 OD2 ASP A 441 42.579 -25.893 -3.285 ATOM 6666 C ASP A 441 43.076 -21.610 -2.715 ATOM 6667 O ASP A 441 44.218 -21.837 -2.300 ATOM 6668 N ASP A 442 42.725 -20.434 -3.231 -ATOM 6669 HN ASP A 442 41.780 -20.294 -3.522 +ATOM 6669 H ASP A 442 41.780 -20.294 -3.522 ATOM 6670 CA ASP A 442 43.679 -19.347 -3.383 ATOM 6671 HA ASP A 442 44.662 -19.800 -3.319 ATOM 6672 CB ASP A 442 43.482 -18.657 -4.739 -ATOM 6673 HB1 ASP A 442 42.457 -18.249 -4.866 +ATOM 6673 HB3 ASP A 442 42.457 -18.249 -4.866 ATOM 6674 HB2 ASP A 442 44.175 -17.802 -4.888 ATOM 6675 CG ASP A 442 43.711 -19.594 -5.910 ATOM 6676 OD1 ASP A 442 44.373 -20.637 -5.720 @@ -6680,11 +6680,11 @@ ATOM 6677 OD2 ASP A 442 43.225 -19.289 -7.019 ATOM 6678 C ASP A 442 43.589 -18.303 -2.281 ATOM 6679 O ASP A 442 44.536 -17.529 -2.107 ATOM 6680 N TYR A 443 42.490 -18.263 -1.531 -ATOM 6681 HN TYR A 443 41.816 -18.996 -1.616 +ATOM 6681 H TYR A 443 41.816 -18.996 -1.616 ATOM 6682 CA TYR A 443 42.244 -17.180 -0.591 ATOM 6683 HA TYR A 443 43.155 -16.599 -0.505 ATOM 6684 CB TYR A 443 41.130 -16.264 -1.099 -ATOM 6685 HB1 TYR A 443 40.298 -16.824 -1.578 +ATOM 6685 HB3 TYR A 443 40.298 -16.824 -1.578 ATOM 6686 HB2 TYR A 443 40.667 -15.661 -0.289 ATOM 6687 CG TYR A 443 41.613 -15.275 -2.130 ATOM 6688 CD1 TYR A 443 42.107 -14.034 -1.750 @@ -6701,7 +6701,7 @@ ATOM 6698 HE2 TYR A 443 42.015 -14.944 -5.482 ATOM 6699 C TYR A 443 41.892 -17.727 0.784 ATOM 6700 O TYR A 443 40.983 -18.552 0.919 ATOM 6701 N ILE A 444 42.627 -17.267 1.792 -ATOM 6702 HN ILE A 444 43.453 -16.749 1.573 +ATOM 6702 H ILE A 444 43.453 -16.749 1.573 ATOM 6703 CA ILE A 444 42.301 -17.473 3.198 ATOM 6704 HA ILE A 444 41.655 -18.335 3.317 ATOM 6705 CB ILE A 444 43.573 -17.762 4.019 @@ -6711,16 +6711,16 @@ ATOM 6708 HG21 ILE A 444 44.188 -18.022 6.101 ATOM 6709 HG22 ILE A 444 42.533 -18.610 5.745 ATOM 6710 HG23 ILE A 444 42.851 -16.851 5.871 ATOM 6711 CG1 ILE A 444 44.217 -19.070 3.562 -ATOM 6712 HG11 ILE A 444 43.769 -19.971 4.032 +ATOM 6712 HG13 ILE A 444 43.769 -19.971 4.032 ATOM 6713 HG12 ILE A 444 44.138 -19.243 2.467 ATOM 6714 CD1 ILE A 444 45.698 -19.154 3.872 -ATOM 6715 HD1 ILE A 444 46.166 -20.105 3.540 -ATOM 6716 HD2 ILE A 444 45.928 -19.079 4.956 -ATOM 6717 HD3 ILE A 444 46.297 -18.351 3.391 +ATOM 6715 HD11 ILE A 444 46.166 -20.105 3.540 +ATOM 6716 HD12 ILE A 444 45.928 -19.079 4.956 +ATOM 6717 HD13 ILE A 444 46.297 -18.351 3.391 ATOM 6718 C ILE A 444 41.590 -16.222 3.692 ATOM 6719 O ILE A 444 41.943 -15.102 3.302 ATOM 6720 N ILE A 445 40.576 -16.402 4.532 -ATOM 6721 HN ILE A 445 40.361 -17.329 4.835 +ATOM 6721 H ILE A 445 40.361 -17.329 4.835 ATOM 6722 CA ILE A 445 39.765 -15.295 5.028 ATOM 6723 HA ILE A 445 39.994 -14.402 4.457 ATOM 6724 CB ILE A 445 38.264 -15.561 4.839 @@ -6730,23 +6730,23 @@ ATOM 6727 HG21 ILE A 445 36.377 -14.504 5.012 ATOM 6728 HG22 ILE A 445 37.762 -13.482 4.473 ATOM 6729 HG23 ILE A 445 37.635 -13.992 6.199 ATOM 6730 CG1 ILE A 445 37.978 -16.018 3.409 -ATOM 6731 HG11 ILE A 445 38.534 -16.933 3.112 +ATOM 6731 HG13 ILE A 445 38.534 -16.933 3.112 ATOM 6732 HG12 ILE A 445 36.910 -16.260 3.221 ATOM 6733 CD1 ILE A 445 38.333 -14.989 2.357 -ATOM 6734 HD1 ILE A 445 38.125 -15.321 1.317 -ATOM 6735 HD2 ILE A 445 39.406 -14.703 2.355 -ATOM 6736 HD3 ILE A 445 37.783 -14.030 2.465 +ATOM 6734 HD11 ILE A 445 38.125 -15.321 1.317 +ATOM 6735 HD12 ILE A 445 39.406 -14.703 2.355 +ATOM 6736 HD13 ILE A 445 37.783 -14.030 2.465 ATOM 6737 C ILE A 445 40.101 -15.069 6.495 ATOM 6738 O ILE A 445 39.981 -15.989 7.315 ATOM 6739 N GLN A 446 40.524 -13.849 6.825 -ATOM 6740 HN GLN A 446 40.718 -13.191 6.099 +ATOM 6740 H GLN A 446 40.718 -13.191 6.099 ATOM 6741 CA GLN A 446 40.712 -13.446 8.212 ATOM 6742 HA GLN A 446 40.950 -14.323 8.802 ATOM 6743 CB GLN A 446 41.882 -12.472 8.360 -ATOM 6744 HB1 GLN A 446 42.825 -12.853 7.912 +ATOM 6744 HB3 GLN A 446 42.825 -12.853 7.912 ATOM 6745 HB2 GLN A 446 41.695 -11.490 7.875 ATOM 6746 CG GLN A 446 42.215 -12.156 9.812 -ATOM 6747 HG1 GLN A 446 41.540 -11.397 10.263 +ATOM 6747 HG3 GLN A 446 41.540 -11.397 10.263 ATOM 6748 HG2 GLN A 446 42.151 -13.041 10.480 ATOM 6749 CD GLN A 446 43.617 -11.610 10.001 ATOM 6750 OE1 GLN A 446 44.322 -11.317 9.036 @@ -6756,7 +6756,7 @@ ATOM 6753 HE22 GLN A 446 43.453 -11.703 12.038 ATOM 6754 C GLN A 446 39.423 -12.814 8.721 ATOM 6755 O GLN A 446 38.845 -11.950 8.055 ATOM 6756 N VAL A 447 38.983 -13.244 9.900 -ATOM 6757 HN VAL A 447 39.596 -13.795 10.464 +ATOM 6757 H VAL A 447 39.596 -13.795 10.464 ATOM 6758 CA VAL A 447 37.648 -12.949 10.408 ATOM 6759 HA VAL A 447 37.058 -12.497 9.619 ATOM 6760 CB VAL A 447 36.922 -14.233 10.839 @@ -6772,11 +6772,11 @@ ATOM 6769 HG23 VAL A 447 37.847 -15.491 9.318 ATOM 6770 C VAL A 447 37.768 -11.977 11.575 ATOM 6771 O VAL A 447 38.439 -12.274 12.570 ATOM 6772 N TRP A 448 37.113 -10.820 11.458 -ATOM 6773 HN TRP A 448 36.694 -10.586 10.582 +ATOM 6773 H TRP A 448 36.694 -10.586 10.582 ATOM 6774 CA TRP A 448 36.991 -9.888 12.572 ATOM 6775 HA TRP A 448 37.731 -10.197 13.301 ATOM 6776 CB TRP A 448 37.276 -8.445 12.117 -ATOM 6777 HB1 TRP A 448 37.156 -7.668 12.902 +ATOM 6777 HB3 TRP A 448 37.156 -7.668 12.902 ATOM 6778 HB2 TRP A 448 38.303 -8.262 11.736 ATOM 6779 CG TRP A 448 36.403 -7.939 11.000 ATOM 6780 CD1 TRP A 448 36.756 -7.789 9.691 @@ -6796,7 +6796,7 @@ ATOM 6793 HH2 TRP A 448 31.475 -6.184 10.424 ATOM 6794 C TRP A 448 35.626 -9.942 13.243 ATOM 6795 O TRP A 448 35.481 -9.426 14.356 ATOM 6796 N THR A 449 34.629 -10.541 12.598 -ATOM 6797 HN THR A 449 34.804 -10.956 11.706 +ATOM 6797 H THR A 449 34.804 -10.956 11.706 ATOM 6798 CA THR A 449 33.290 -10.605 13.162 ATOM 6799 HA THR A 449 32.989 -9.598 13.427 ATOM 6800 CB THR A 449 32.300 -11.162 12.137 @@ -6810,7 +6810,7 @@ ATOM 6807 HG23 THR A 449 31.961 -9.252 11.147 ATOM 6808 C THR A 449 33.276 -11.467 14.422 ATOM 6809 O THR A 449 34.180 -12.272 14.668 ATOM 6810 N THR A 450 32.236 -11.281 15.232 -ATOM 6811 HN THR A 450 31.562 -10.574 15.020 +ATOM 6811 H THR A 450 31.562 -10.574 15.020 ATOM 6812 CA THR A 450 32.073 -12.099 16.424 ATOM 6813 HA THR A 450 32.975 -12.015 17.019 ATOM 6814 CB THR A 450 30.897 -11.606 17.272 @@ -6824,14 +6824,14 @@ ATOM 6821 HG23 THR A 450 31.969 -9.902 18.105 ATOM 6822 C THR A 450 31.868 -13.561 16.034 ATOM 6823 O THR A 450 31.405 -13.882 14.935 ATOM 6824 N GLY A 451 32.229 -14.454 16.956 -ATOM 6825 HN GLY A 451 32.562 -14.131 17.841 +ATOM 6825 H GLY A 451 32.562 -14.131 17.841 ATOM 6826 CA GLY A 451 32.152 -15.885 16.709 -ATOM 6827 HA1 GLY A 451 32.755 -16.239 15.845 +ATOM 6827 HA3 GLY A 451 32.755 -16.239 15.845 ATOM 6828 HA2 GLY A 451 32.498 -16.520 17.552 ATOM 6829 C GLY A 451 30.757 -16.402 16.414 ATOM 6830 O GLY A 451 30.624 -17.546 15.964 ATOM 6831 N VAL A 452 29.722 -15.597 16.653 -ATOM 6832 HN VAL A 452 29.895 -14.688 17.029 +ATOM 6832 H VAL A 452 29.895 -14.688 17.029 ATOM 6833 CA VAL A 452 28.346 -15.996 16.385 ATOM 6834 HA VAL A 452 28.353 -17.065 16.204 ATOM 6835 CB VAL A 452 27.444 -15.716 17.599 @@ -6847,11 +6847,11 @@ ATOM 6844 HG23 VAL A 452 26.917 -13.703 16.971 ATOM 6845 C VAL A 452 27.792 -15.326 15.132 ATOM 6846 O VAL A 452 26.592 -15.429 14.857 ATOM 6847 N ASP A 453 28.636 -14.640 14.367 -ATOM 6848 HN ASP A 453 29.594 -14.559 14.638 +ATOM 6848 H ASP A 453 29.594 -14.559 14.638 ATOM 6849 CA ASP A 453 28.181 -14.006 13.140 ATOM 6850 HA ASP A 453 27.274 -13.451 13.351 ATOM 6851 CB ASP A 453 29.238 -13.033 12.621 -ATOM 6852 HB1 ASP A 453 29.637 -12.368 13.417 +ATOM 6852 HB3 ASP A 453 29.637 -12.368 13.417 ATOM 6853 HB2 ASP A 453 30.119 -13.550 12.183 ATOM 6854 CG ASP A 453 28.708 -12.117 11.537 ATOM 6855 OD1 ASP A 453 28.497 -12.591 10.401 @@ -6860,27 +6860,27 @@ ATOM 6857 C ASP A 453 27.877 -15.068 12.083 ATOM 6858 O ASP A 453 28.645 -16.021 11.922 ATOM 6859 N PRO A 454 26.766 -14.935 11.353 ATOM 6860 CD PRO A 454 25.729 -13.897 11.466 -ATOM 6861 HD1 PRO A 454 26.157 -13.058 10.877 +ATOM 6861 HD3 PRO A 454 26.157 -13.058 10.877 ATOM 6862 HD2 PRO A 454 25.671 -13.726 12.562 ATOM 6863 CA PRO A 454 26.424 -15.954 10.345 ATOM 6864 HA PRO A 454 26.393 -16.947 10.779 ATOM 6865 CB PRO A 454 25.073 -15.467 9.800 -ATOM 6866 HB1 PRO A 454 24.471 -16.390 9.658 +ATOM 6866 HB3 PRO A 454 24.471 -16.390 9.658 ATOM 6867 HB2 PRO A 454 25.317 -14.946 8.850 ATOM 6868 CG PRO A 454 24.533 -14.558 10.859 -ATOM 6869 HG1 PRO A 454 24.040 -15.103 11.692 +ATOM 6869 HG3 PRO A 454 24.040 -15.103 11.692 ATOM 6870 HG2 PRO A 454 23.913 -13.732 10.450 ATOM 6871 C PRO A 454 27.451 -16.087 9.233 ATOM 6872 O PRO A 454 27.488 -17.133 8.572 ATOM 6873 N GLN A 455 28.284 -15.067 9.007 -ATOM 6874 HN GLN A 455 28.234 -14.252 9.583 +ATOM 6874 H GLN A 455 28.234 -14.252 9.583 ATOM 6875 CA GLN A 455 29.266 -15.130 7.928 ATOM 6876 HA GLN A 455 28.729 -15.329 7.008 ATOM 6877 CB GLN A 455 30.003 -13.796 7.810 -ATOM 6878 HB1 GLN A 455 30.210 -13.308 8.786 +ATOM 6878 HB3 GLN A 455 30.210 -13.308 8.786 ATOM 6879 HB2 GLN A 455 30.996 -13.872 7.317 ATOM 6880 CG GLN A 455 29.256 -12.750 7.009 -ATOM 6881 HG1 GLN A 455 28.222 -12.590 7.383 +ATOM 6881 HG3 GLN A 455 28.222 -12.590 7.383 ATOM 6882 HG2 GLN A 455 29.757 -11.759 7.037 ATOM 6883 CD GLN A 455 29.130 -13.126 5.547 ATOM 6884 OE1 GLN A 455 30.078 -13.622 4.937 @@ -6890,7 +6890,7 @@ ATOM 6887 HE22 GLN A 455 27.184 -12.493 5.471 ATOM 6888 C GLN A 455 30.262 -16.261 8.133 ATOM 6889 O GLN A 455 30.751 -16.840 7.155 ATOM 6890 N ILE A 456 30.572 -16.593 9.387 -ATOM 6891 HN ILE A 456 30.138 -16.113 10.148 +ATOM 6891 H ILE A 456 30.138 -16.113 10.148 ATOM 6892 CA ILE A 456 31.540 -17.651 9.658 ATOM 6893 HA ILE A 456 32.448 -17.451 9.101 ATOM 6894 CB ILE A 456 31.901 -17.671 11.154 @@ -6900,29 +6900,29 @@ ATOM 6897 HG21 ILE A 456 33.053 -18.875 12.552 ATOM 6898 HG22 ILE A 456 33.734 -18.811 10.885 ATOM 6899 HG23 ILE A 456 32.275 -19.813 11.224 ATOM 6900 CG1 ILE A 456 32.588 -16.364 11.554 -ATOM 6901 HG11 ILE A 456 33.580 -16.213 11.077 +ATOM 6901 HG13 ILE A 456 33.580 -16.213 11.077 ATOM 6902 HG12 ILE A 456 32.008 -15.453 11.294 ATOM 6903 CD1 ILE A 456 32.853 -16.240 13.039 -ATOM 6904 HD1 ILE A 456 33.352 -15.291 13.329 -ATOM 6905 HD2 ILE A 456 33.508 -17.039 13.448 -ATOM 6906 HD3 ILE A 456 31.936 -16.279 13.665 +ATOM 6904 HD11 ILE A 456 33.352 -15.291 13.329 +ATOM 6905 HD12 ILE A 456 33.508 -17.039 13.448 +ATOM 6906 HD13 ILE A 456 31.936 -16.279 13.665 ATOM 6907 C ILE A 456 31.003 -18.999 9.189 ATOM 6908 O ILE A 456 31.706 -19.766 8.519 ATOM 6909 N LYS A 457 29.748 -19.306 9.531 -ATOM 6910 HN LYS A 457 29.219 -18.671 10.092 +ATOM 6910 H LYS A 457 29.219 -18.671 10.092 ATOM 6911 CA LYS A 457 29.142 -20.560 9.093 ATOM 6912 HA LYS A 457 29.785 -21.378 9.399 ATOM 6913 CB LYS A 457 27.773 -20.733 9.749 -ATOM 6914 HB1 LYS A 457 27.781 -20.698 10.859 +ATOM 6914 HB3 LYS A 457 27.781 -20.698 10.859 ATOM 6915 HB2 LYS A 457 27.021 -19.965 9.468 ATOM 6916 CG LYS A 457 27.078 -22.047 9.436 -ATOM 6917 HG1 LYS A 457 26.952 -22.160 8.338 +ATOM 6917 HG3 LYS A 457 26.952 -22.160 8.338 ATOM 6918 HG2 LYS A 457 27.682 -22.898 9.818 ATOM 6919 CD LYS A 457 25.707 -22.082 10.094 -ATOM 6920 HD1 LYS A 457 25.097 -21.191 9.832 +ATOM 6920 HD3 LYS A 457 25.097 -21.191 9.832 ATOM 6921 HD2 LYS A 457 25.778 -22.109 11.202 ATOM 6922 CE LYS A 457 24.906 -23.303 9.675 -ATOM 6923 HE1 LYS A 457 24.642 -23.277 8.596 +ATOM 6923 HE3 LYS A 457 24.642 -23.277 8.596 ATOM 6924 HE2 LYS A 457 23.952 -23.387 10.238 ATOM 6925 NZ LYS A 457 25.658 -24.569 9.906 ATOM 6926 HZ1 LYS A 457 25.131 -25.372 9.630 @@ -6931,18 +6931,18 @@ ATOM 6928 HZ3 LYS A 457 25.894 -24.693 10.869 ATOM 6929 C LYS A 457 29.020 -20.608 7.576 ATOM 6930 O LYS A 457 29.341 -21.624 6.946 ATOM 6931 N GLY A 458 28.557 -19.513 6.971 -ATOM 6932 HN GLY A 458 28.292 -18.717 7.514 +ATOM 6932 H GLY A 458 28.292 -18.717 7.514 ATOM 6933 CA GLY A 458 28.437 -19.476 5.523 -ATOM 6934 HA1 GLY A 458 27.755 -20.259 5.128 +ATOM 6934 HA3 GLY A 458 27.755 -20.259 5.128 ATOM 6935 HA2 GLY A 458 28.040 -18.508 5.149 ATOM 6936 C GLY A 458 29.764 -19.683 4.819 ATOM 6937 O GLY A 458 29.839 -20.391 3.811 ATOM 6938 N LEU A 459 30.831 -19.077 5.345 -ATOM 6939 HN LEU A 459 30.725 -18.504 6.156 +ATOM 6939 H LEU A 459 30.725 -18.504 6.156 ATOM 6940 CA LEU A 459 32.151 -19.245 4.744 ATOM 6941 HA LEU A 459 32.066 -19.030 3.685 ATOM 6942 CB LEU A 459 33.146 -18.270 5.375 -ATOM 6943 HB1 LEU A 459 33.108 -18.153 6.479 +ATOM 6943 HB3 LEU A 459 33.108 -18.153 6.479 ATOM 6944 HB2 LEU A 459 34.226 -18.481 5.222 ATOM 6945 CG LEU A 459 33.069 -16.811 4.927 ATOM 6946 HG LEU A 459 32.055 -16.458 5.076 @@ -6957,11 +6957,11 @@ ATOM 6954 HD23 LEU A 459 34.430 -17.071 3.254 ATOM 6955 C LEU A 459 32.650 -20.676 4.891 ATOM 6956 O LEU A 459 33.188 -21.253 3.938 ATOM 6957 N LEU A 460 32.483 -21.264 6.078 -ATOM 6958 HN LEU A 460 32.001 -20.779 6.806 +ATOM 6958 H LEU A 460 32.001 -20.779 6.806 ATOM 6959 CA LEU A 460 32.998 -22.608 6.322 ATOM 6960 HA LEU A 460 34.047 -22.623 6.047 ATOM 6961 CB LEU A 460 32.867 -22.957 7.803 -ATOM 6962 HB1 LEU A 460 31.875 -22.739 8.253 +ATOM 6962 HB3 LEU A 460 31.875 -22.739 8.253 ATOM 6963 HB2 LEU A 460 33.030 -24.028 8.051 ATOM 6964 CG LEU A 460 33.841 -22.229 8.730 ATOM 6965 HG LEU A 460 33.833 -21.177 8.469 @@ -6976,14 +6976,14 @@ ATOM 6973 HD23 LEU A 460 35.313 -23.840 8.766 ATOM 6974 C LEU A 460 32.285 -23.642 5.462 ATOM 6975 O LEU A 460 32.913 -24.583 4.963 ATOM 6976 N GLU A 461 30.972 -23.488 5.278 -ATOM 6977 HN GLU A 461 30.493 -22.725 5.710 +ATOM 6977 H GLU A 461 30.493 -22.725 5.710 ATOM 6978 CA GLU A 461 30.237 -24.433 4.446 ATOM 6979 HA GLU A 461 30.476 -25.435 4.785 ATOM 6980 CB GLU A 461 28.735 -24.203 4.595 -ATOM 6981 HB1 GLU A 461 28.468 -23.134 4.737 +ATOM 6981 HB3 GLU A 461 28.468 -23.134 4.737 ATOM 6982 HB2 GLU A 461 28.151 -24.540 3.712 ATOM 6983 CG GLU A 461 28.133 -24.933 5.783 -ATOM 6984 HG1 GLU A 461 27.908 -25.999 5.566 +ATOM 6984 HG3 GLU A 461 27.908 -25.999 5.566 ATOM 6985 HG2 GLU A 461 28.801 -24.938 6.671 ATOM 6986 CD GLU A 461 26.831 -24.323 6.250 ATOM 6987 OE1 GLU A 461 26.252 -24.842 7.228 @@ -6991,20 +6991,20 @@ ATOM 6988 OE2 GLU A 461 26.386 -23.326 5.642 ATOM 6989 C GLU A 461 30.655 -24.338 2.985 ATOM 6990 O GLU A 461 30.513 -25.312 2.237 ATOM 6991 N LYS A 462 31.176 -23.188 2.562 -ATOM 6992 HN LYS A 462 31.212 -22.410 3.188 +ATOM 6992 H LYS A 462 31.212 -22.410 3.188 ATOM 6993 CA LYS A 462 31.694 -23.036 1.210 ATOM 6994 HA LYS A 462 31.114 -23.692 0.571 ATOM 6995 CB LYS A 462 31.531 -21.586 0.743 -ATOM 6996 HB1 LYS A 462 31.335 -20.878 1.576 +ATOM 6996 HB3 LYS A 462 31.335 -20.878 1.576 ATOM 6997 HB2 LYS A 462 32.429 -21.191 0.222 ATOM 6998 CG LYS A 462 30.379 -21.397 -0.231 -ATOM 6999 HG1 LYS A 462 30.710 -21.466 -1.289 +ATOM 6999 HG3 LYS A 462 30.710 -21.466 -1.289 ATOM 7000 HG2 LYS A 462 29.585 -22.162 -0.095 ATOM 7001 CD LYS A 462 29.711 -20.044 -0.071 -ATOM 7002 HD1 LYS A 462 30.318 -19.251 -0.558 +ATOM 7002 HD3 LYS A 462 30.318 -19.251 -0.558 ATOM 7003 HD2 LYS A 462 29.600 -19.791 1.005 ATOM 7004 CE LYS A 462 28.330 -20.054 -0.709 -ATOM 7005 HE1 LYS A 462 27.903 -19.030 -0.760 +ATOM 7005 HE3 LYS A 462 27.903 -19.030 -0.760 ATOM 7006 HE2 LYS A 462 27.623 -20.686 -0.129 ATOM 7007 NZ LYS A 462 28.381 -20.591 -2.097 ATOM 7008 HZ1 LYS A 462 27.474 -20.598 -2.516 @@ -7013,18 +7013,18 @@ ATOM 7010 HZ3 LYS A 462 28.727 -21.528 -2.110 ATOM 7011 C LYS A 462 33.150 -23.469 1.087 ATOM 7012 O LYS A 462 33.767 -23.232 0.043 ATOM 7013 N GLY A 463 33.704 -24.094 2.126 -ATOM 7014 HN GLY A 463 33.176 -24.179 2.970 +ATOM 7014 H GLY A 463 33.176 -24.179 2.970 ATOM 7015 CA GLY A 463 35.037 -24.655 2.083 -ATOM 7016 HA1 GLY A 463 35.245 -25.476 2.802 +ATOM 7016 HA3 GLY A 463 35.245 -25.476 2.802 ATOM 7017 HA2 GLY A 463 35.345 -25.107 1.116 ATOM 7018 C GLY A 463 36.172 -23.694 2.361 ATOM 7019 O GLY A 463 37.338 -24.086 2.219 ATOM 7020 N TYR A 464 35.882 -22.459 2.758 -ATOM 7021 HN TYR A 464 34.930 -22.205 2.921 +ATOM 7021 H TYR A 464 34.930 -22.205 2.921 ATOM 7022 CA TYR A 464 36.932 -21.473 2.959 ATOM 7023 HA TYR A 464 37.651 -21.590 2.156 ATOM 7024 CB TYR A 464 36.358 -20.058 2.909 -ATOM 7025 HB1 TYR A 464 35.371 -19.972 3.411 +ATOM 7025 HB3 TYR A 464 35.371 -19.972 3.411 ATOM 7026 HB2 TYR A 464 37.012 -19.306 3.400 ATOM 7027 CG TYR A 464 36.146 -19.558 1.504 ATOM 7028 CD1 TYR A 464 37.151 -18.877 0.829 @@ -7041,17 +7041,17 @@ ATOM 7038 HE2 TYR A 464 33.809 -19.520 -0.950 ATOM 7039 C TYR A 464 37.652 -21.696 4.282 ATOM 7040 O TYR A 464 37.063 -22.145 5.270 ATOM 7041 N ARG A 465 38.944 -21.381 4.287 -ATOM 7042 HN ARG A 465 39.366 -21.058 3.441 +ATOM 7042 H ARG A 465 39.366 -21.058 3.441 ATOM 7043 CA ARG A 465 39.764 -21.491 5.484 ATOM 7044 HA ARG A 465 39.325 -22.230 6.145 ATOM 7045 CB ARG A 465 41.176 -21.954 5.129 -ATOM 7046 HB1 ARG A 465 41.737 -21.231 4.499 +ATOM 7046 HB3 ARG A 465 41.737 -21.231 4.499 ATOM 7047 HB2 ARG A 465 41.824 -22.126 6.015 ATOM 7048 CG ARG A 465 41.212 -23.259 4.356 -ATOM 7049 HG1 ARG A 465 41.030 -24.127 5.025 +ATOM 7049 HG3 ARG A 465 41.030 -24.127 5.025 ATOM 7050 HG2 ARG A 465 40.436 -23.276 3.561 ATOM 7051 CD ARG A 465 42.557 -23.464 3.691 -ATOM 7052 HD1 ARG A 465 42.708 -24.510 3.348 +ATOM 7052 HD3 ARG A 465 42.708 -24.510 3.348 ATOM 7053 HD2 ARG A 465 43.407 -23.234 4.368 ATOM 7054 NE ARG A 465 42.735 -22.619 2.513 ATOM 7055 HE ARG A 465 41.973 -22.036 2.233 @@ -7065,11 +7065,11 @@ ATOM 7062 HH22 ARG A 465 43.154 -21.215 0.478 ATOM 7063 C ARG A 465 39.808 -20.148 6.196 ATOM 7064 O ARG A 465 39.787 -19.092 5.559 ATOM 7065 N LEU A 466 39.865 -20.191 7.526 -ATOM 7066 HN LEU A 466 40.046 -21.064 7.978 +ATOM 7066 H LEU A 466 40.046 -21.064 7.978 ATOM 7067 CA LEU A 466 39.671 -19.000 8.337 ATOM 7068 HA LEU A 466 39.633 -18.162 7.650 ATOM 7069 CB LEU A 466 38.357 -19.066 9.125 -ATOM 7070 HB1 LEU A 466 38.253 -19.865 9.890 +ATOM 7070 HB3 LEU A 466 38.253 -19.865 9.890 ATOM 7071 HB2 LEU A 466 38.072 -18.179 9.730 ATOM 7072 CG LEU A 466 37.067 -19.279 8.337 ATOM 7073 HG LEU A 466 37.071 -20.283 7.927 @@ -7084,7 +7084,7 @@ ATOM 7081 HD23 LEU A 466 36.994 -17.253 7.555 ATOM 7082 C LEU A 466 40.822 -18.793 9.310 ATOM 7083 O LEU A 466 41.440 -19.748 9.791 ATOM 7084 N ILE A 467 41.095 -17.520 9.590 -ATOM 7085 HN ILE A 467 40.697 -16.815 9.005 +ATOM 7085 H ILE A 467 40.697 -16.815 9.005 ATOM 7086 CA ILE A 467 41.939 -17.093 10.699 ATOM 7087 HA ILE A 467 42.320 -17.956 11.234 ATOM 7088 CB ILE A 467 43.177 -16.320 10.217 @@ -7094,23 +7094,23 @@ ATOM 7091 HG21 ILE A 467 44.839 -15.181 11.055 ATOM 7092 HG22 ILE A 467 44.282 -16.550 12.084 ATOM 7093 HG23 ILE A 467 43.301 -15.043 11.982 ATOM 7094 CG1 ILE A 467 44.082 -17.221 9.375 -ATOM 7095 HG11 ILE A 467 44.641 -17.975 9.969 +ATOM 7095 HG13 ILE A 467 44.641 -17.975 9.969 ATOM 7096 HG12 ILE A 467 43.538 -17.811 8.607 ATOM 7097 CD1 ILE A 467 45.151 -16.465 8.600 -ATOM 7098 HD1 ILE A 467 45.808 -17.119 7.988 -ATOM 7099 HD2 ILE A 467 45.847 -15.886 9.244 -ATOM 7100 HD3 ILE A 467 44.743 -15.722 7.882 +ATOM 7098 HD11 ILE A 467 45.808 -17.119 7.988 +ATOM 7099 HD12 ILE A 467 45.847 -15.886 9.244 +ATOM 7100 HD13 ILE A 467 44.743 -15.722 7.882 ATOM 7101 C ILE A 467 41.070 -16.225 11.598 ATOM 7102 O ILE A 467 40.553 -15.192 11.154 ATOM 7103 N MET A 468 40.895 -16.645 12.851 -ATOM 7104 HN MET A 468 41.391 -17.449 13.176 +ATOM 7104 H MET A 468 41.391 -17.449 13.176 ATOM 7105 CA MET A 468 39.988 -15.945 13.754 ATOM 7106 HA MET A 468 39.145 -15.588 13.174 ATOM 7107 CB MET A 468 39.456 -16.884 14.836 -ATOM 7108 HB1 MET A 468 40.217 -17.280 15.542 +ATOM 7108 HB3 MET A 468 40.217 -17.280 15.542 ATOM 7109 HB2 MET A 468 38.693 -16.448 15.516 ATOM 7110 CG MET A 468 38.771 -18.154 14.328 -ATOM 7111 HG1 MET A 468 39.428 -18.907 13.842 +ATOM 7111 HG3 MET A 468 39.428 -18.907 13.842 ATOM 7112 HG2 MET A 468 38.245 -18.768 15.090 ATOM 7113 SD MET A 468 37.485 -17.926 13.083 ATOM 7114 CE MET A 468 36.491 -16.644 13.823 @@ -7120,22 +7120,22 @@ ATOM 7117 HE3 MET A 468 37.114 -15.738 13.981 ATOM 7118 C MET A 468 40.693 -14.751 14.390 ATOM 7119 O MET A 468 41.751 -14.901 15.011 ATOM 7120 N SER A 469 40.107 -13.569 14.230 -ATOM 7121 HN SER A 469 39.337 -13.500 13.597 +ATOM 7121 H SER A 469 39.337 -13.500 13.597 ATOM 7122 CA SER A 469 40.537 -12.367 14.937 ATOM 7123 HA SER A 469 41.131 -12.646 15.800 ATOM 7124 CB SER A 469 41.435 -11.498 14.059 -ATOM 7125 HB1 SER A 469 40.891 -11.147 13.156 +ATOM 7125 HB3 SER A 469 40.891 -11.147 13.156 ATOM 7126 HB2 SER A 469 41.789 -10.603 14.614 ATOM 7127 OG SER A 469 42.575 -12.220 13.626 -ATOM 7128 HG1 SER A 469 43.143 -11.671 13.071 +ATOM 7128 HG SER A 469 43.143 -11.671 13.071 ATOM 7129 C SER A 469 39.301 -11.608 15.407 ATOM 7130 O SER A 469 39.163 -10.402 15.201 ATOM 7131 N ASN A 470 38.378 -12.340 16.034 -ATOM 7132 HN ASN A 470 38.560 -13.311 16.181 +ATOM 7132 H ASN A 470 38.560 -13.311 16.181 ATOM 7133 CA ASN A 470 37.114 -11.789 16.515 ATOM 7134 HA ASN A 470 36.511 -11.507 15.659 ATOM 7135 CB ASN A 470 36.371 -12.846 17.332 -ATOM 7136 HB1 ASN A 470 36.788 -12.969 18.354 +ATOM 7136 HB3 ASN A 470 36.788 -12.969 18.354 ATOM 7137 HB2 ASN A 470 35.295 -12.605 17.466 ATOM 7138 CG ASN A 470 36.418 -14.216 16.693 ATOM 7139 OD1 ASN A 470 35.651 -14.509 15.776 @@ -7145,11 +7145,11 @@ ATOM 7142 HD22 ASN A 470 37.954 -14.820 17.905 ATOM 7143 C ASN A 470 37.348 -10.545 17.354 ATOM 7144 O ASN A 470 38.011 -10.601 18.393 ATOM 7145 N TYR A 471 36.786 -9.420 16.904 -ATOM 7146 HN TYR A 471 36.161 -9.456 16.125 +ATOM 7146 H TYR A 471 36.161 -9.456 16.125 ATOM 7147 CA TYR A 471 37.077 -8.140 17.540 ATOM 7148 HA TYR A 471 38.156 -8.045 17.587 ATOM 7149 CB TYR A 471 36.499 -6.993 16.706 -ATOM 7150 HB1 TYR A 471 36.956 -5.996 16.883 +ATOM 7150 HB3 TYR A 471 36.956 -5.996 16.883 ATOM 7151 HB2 TYR A 471 36.585 -7.113 15.605 ATOM 7152 CG TYR A 471 35.022 -6.726 16.902 ATOM 7153 CD1 TYR A 471 34.580 -5.846 17.881 @@ -7166,11 +7166,11 @@ ATOM 7163 HE2 TYR A 471 31.995 -7.570 15.621 ATOM 7164 C TYR A 471 36.568 -8.066 18.975 ATOM 7165 O TYR A 471 37.032 -7.210 19.735 ATOM 7166 N ASP A 472 35.635 -8.932 19.368 -ATOM 7167 HN ASP A 472 35.262 -9.585 18.710 +ATOM 7167 H ASP A 472 35.262 -9.585 18.710 ATOM 7168 CA ASP A 472 35.150 -8.942 20.742 ATOM 7169 HA ASP A 472 35.187 -7.916 21.090 ATOM 7170 CB ASP A 472 33.704 -9.454 20.801 -ATOM 7171 HB1 ASP A 472 33.285 -9.457 21.830 +ATOM 7171 HB3 ASP A 472 33.285 -9.457 21.830 ATOM 7172 HB2 ASP A 472 33.001 -8.845 20.193 ATOM 7173 CG ASP A 472 33.556 -10.877 20.295 ATOM 7174 OD1 ASP A 472 34.361 -11.297 19.438 @@ -7178,7 +7178,7 @@ ATOM 7175 OD2 ASP A 472 32.630 -11.576 20.755 ATOM 7176 C ASP A 472 36.030 -9.766 21.671 ATOM 7177 O ASP A 472 35.797 -9.763 22.884 ATOM 7178 N ALA A 473 37.041 -10.454 21.142 -ATOM 7179 HN ALA A 473 37.159 -10.464 20.150 +ATOM 7179 H ALA A 473 37.159 -10.464 20.150 ATOM 7180 CA ALA A 473 37.980 -11.194 21.979 ATOM 7181 HA ALA A 473 37.870 -10.767 22.969 ATOM 7182 CB ALA A 473 37.637 -12.689 21.975 @@ -7188,11 +7188,11 @@ ATOM 7185 HB3 ALA A 473 37.689 -13.096 20.942 ATOM 7186 C ALA A 473 39.439 -11.031 21.583 ATOM 7187 O ALA A 473 40.311 -11.366 22.393 ATOM 7188 N LEU A 474 39.751 -10.531 20.385 -ATOM 7189 HN LEU A 474 39.030 -10.135 19.818 +ATOM 7189 H LEU A 474 39.030 -10.135 19.818 ATOM 7190 CA LEU A 474 41.119 -10.549 19.885 ATOM 7191 HA LEU A 474 41.754 -10.756 20.739 ATOM 7192 CB LEU A 474 41.277 -11.646 18.826 -ATOM 7193 HB1 LEU A 474 40.506 -11.602 18.028 +ATOM 7193 HB3 LEU A 474 40.506 -11.602 18.028 ATOM 7194 HB2 LEU A 474 42.252 -11.608 18.295 ATOM 7195 CG LEU A 474 41.184 -13.061 19.400 ATOM 7196 HG LEU A 474 40.262 -13.134 19.965 @@ -7207,11 +7207,11 @@ ATOM 7204 HD23 LEU A 474 43.316 -13.225 19.800 ATOM 7205 C LEU A 474 41.577 -9.210 19.317 ATOM 7206 O LEU A 474 42.626 -9.157 18.665 ATOM 7207 N TYR A 475 40.829 -8.133 19.535 -ATOM 7208 HN TYR A 475 39.931 -8.243 19.959 +ATOM 7208 H TYR A 475 39.931 -8.243 19.959 ATOM 7209 CA TYR A 475 41.284 -6.794 19.172 ATOM 7210 HA TYR A 475 42.007 -6.836 18.365 ATOM 7211 CB TYR A 475 40.131 -5.942 18.650 -ATOM 7212 HB1 TYR A 475 39.139 -6.227 19.062 +ATOM 7212 HB3 TYR A 475 39.139 -6.227 19.062 ATOM 7213 HB2 TYR A 475 40.232 -4.860 18.879 ATOM 7214 CG TYR A 475 39.956 -6.002 17.149 ATOM 7215 CD1 TYR A 475 40.270 -7.156 16.438 @@ -7228,11 +7228,11 @@ ATOM 7225 HE2 TYR A 475 38.950 -4.089 14.530 ATOM 7226 C TYR A 475 41.923 -6.190 20.415 ATOM 7227 O TYR A 475 41.229 -5.736 21.327 ATOM 7228 N PHE A 476 43.253 -6.197 20.457 -ATOM 7229 HN PHE A 476 43.764 -6.470 19.643 +ATOM 7229 H PHE A 476 43.764 -6.470 19.643 ATOM 7230 CA PHE A 476 43.982 -5.817 21.659 ATOM 7231 HA PHE A 476 43.419 -6.200 22.502 ATOM 7232 CB PHE A 476 45.383 -6.438 21.639 -ATOM 7233 HB1 PHE A 476 45.866 -6.423 20.638 +ATOM 7233 HB3 PHE A 476 45.866 -6.423 20.638 ATOM 7234 HB2 PHE A 476 46.108 -5.931 22.311 ATOM 7235 CG PHE A 476 45.413 -7.887 22.061 ATOM 7236 CD1 PHE A 476 44.254 -8.649 22.067 @@ -7248,11 +7248,11 @@ ATOM 7245 HE2 PHE A 476 47.566 -10.268 23.149 ATOM 7246 C PHE A 476 44.079 -4.310 21.848 ATOM 7247 O PHE A 476 44.633 -3.865 22.858 ATOM 7248 N ASP A 477 43.553 -3.519 20.916 -ATOM 7249 HN ASP A 477 43.142 -3.932 20.104 +ATOM 7249 H ASP A 477 43.142 -3.932 20.104 ATOM 7250 CA ASP A 477 43.559 -2.070 21.046 ATOM 7251 HA ASP A 477 44.424 -1.818 21.649 ATOM 7252 CB ASP A 477 43.661 -1.418 19.662 -ATOM 7253 HB1 ASP A 477 43.552 -0.313 19.701 +ATOM 7253 HB3 ASP A 477 43.552 -0.313 19.701 ATOM 7254 HB2 ASP A 477 44.636 -1.614 19.167 ATOM 7255 CG ASP A 477 42.594 -1.914 18.702 ATOM 7256 OD1 ASP A 477 42.316 -3.132 18.694 @@ -7260,28 +7260,28 @@ ATOM 7257 OD2 ASP A 477 42.030 -1.085 17.957 ATOM 7258 C ASP A 477 42.330 -1.530 21.768 ATOM 7259 O ASP A 477 42.327 -0.357 22.154 ATOM 7260 N CYX A 478 41.303 -2.354 21.971 -ATOM 7261 HN CYX A 478 41.401 -3.321 21.742 +ATOM 7261 H CYX A 478 41.401 -3.321 21.742 ATOM 7262 CA CYX A 478 40.040 -1.877 22.520 ATOM 7263 HA CYX A 478 39.743 -1.008 21.943 ATOM 7264 CB CYX A 478 38.969 -2.961 22.409 -ATOM 7265 HB1 CYX A 478 39.136 -3.868 23.029 +ATOM 7265 HB3 CYX A 478 39.136 -3.868 23.029 ATOM 7266 HB2 CYX A 478 37.942 -2.654 22.700 ATOM 7267 SG CYX A 478 38.724 -3.646 20.769 ATOM 7268 C CYX A 478 40.186 -1.464 23.978 ATOM 7269 O CYX A 478 40.946 -2.068 24.739 ATOM 7270 N GLY A 479 39.442 -0.428 24.369 -ATOM 7271 HN GLY A 479 39.010 0.140 23.670 +ATOM 7271 H GLY A 479 39.010 0.140 23.670 ATOM 7272 CA GLY A 479 39.232 -0.089 25.766 -ATOM 7273 HA1 GLY A 479 38.172 -0.062 26.097 +ATOM 7273 HA3 GLY A 479 38.172 -0.062 26.097 ATOM 7274 HA2 GLY A 479 39.703 -0.776 26.501 ATOM 7275 C GLY A 479 39.752 1.267 26.192 ATOM 7276 O GLY A 479 39.337 1.770 27.247 ATOM 7277 N TYR A 480 40.637 1.884 25.420 -ATOM 7278 HN TYR A 480 40.855 1.504 24.522 +ATOM 7278 H TYR A 480 40.855 1.504 24.522 ATOM 7279 CA TYR A 480 41.295 3.105 25.858 ATOM 7280 HA TYR A 480 41.410 3.111 26.936 ATOM 7281 CB TYR A 480 42.699 3.170 25.265 -ATOM 7282 HB1 TYR A 480 42.660 3.075 24.159 +ATOM 7282 HB3 TYR A 480 42.660 3.075 24.159 ATOM 7283 HB2 TYR A 480 43.184 4.137 25.516 ATOM 7284 CG TYR A 480 43.554 2.056 25.807 ATOM 7285 CD1 TYR A 480 43.601 0.821 25.176 @@ -7298,14 +7298,14 @@ ATOM 7295 HE2 TYR A 480 45.592 1.333 28.421 ATOM 7296 C TYR A 480 40.431 4.313 25.507 ATOM 7297 O TYR A 480 39.299 4.180 25.033 ATOM 7298 N GLY A 481 40.950 5.507 25.765 -ATOM 7299 HN GLY A 481 41.855 5.577 26.181 +ATOM 7299 H GLY A 481 41.855 5.577 26.181 ATOM 7300 CA GLY A 481 40.211 6.706 25.446 -ATOM 7301 HA1 GLY A 481 39.203 6.709 25.913 +ATOM 7301 HA3 GLY A 481 39.203 6.709 25.913 ATOM 7302 HA2 GLY A 481 40.733 7.621 25.798 ATOM 7303 C GLY A 481 40.005 6.864 23.954 ATOM 7304 O GLY A 481 40.662 6.229 23.126 ATOM 7305 N ALA A 482 39.051 7.721 23.609 -ATOM 7306 HN ALA A 482 38.477 8.136 24.313 +ATOM 7306 H ALA A 482 38.477 8.136 24.313 ATOM 7307 CA ALA A 482 38.839 8.058 22.213 ATOM 7308 HA ALA A 482 38.720 7.141 21.647 ATOM 7309 CB ALA A 482 37.570 8.892 22.051 @@ -7315,11 +7315,11 @@ ATOM 7312 HB3 ALA A 482 37.648 9.836 22.632 ATOM 7313 C ALA A 482 40.043 8.820 21.676 ATOM 7314 O ALA A 482 40.691 9.586 22.394 ATOM 7315 N TRP A 483 40.358 8.588 20.403 -ATOM 7316 HN TRP A 483 39.882 7.867 19.901 +ATOM 7316 H TRP A 483 39.882 7.867 19.901 ATOM 7317 CA TRP A 483 41.385 9.369 19.733 ATOM 7318 HA TRP A 483 41.871 9.961 20.500 ATOM 7319 CB TRP A 483 42.427 8.450 19.073 -ATOM 7320 HB1 TRP A 483 43.332 8.941 18.655 +ATOM 7320 HB3 TRP A 483 43.332 8.941 18.655 ATOM 7321 HB2 TRP A 483 42.880 7.666 19.717 ATOM 7322 CG TRP A 483 41.962 7.638 17.900 ATOM 7323 CD1 TRP A 483 41.396 6.396 17.932 @@ -7339,7 +7339,7 @@ ATOM 7336 HH2 TRP A 483 41.939 8.104 12.655 ATOM 7337 C TRP A 483 40.816 10.349 18.718 ATOM 7338 O TRP A 483 41.575 11.151 18.162 ATOM 7339 N VAL A 484 39.509 10.311 18.468 -ATOM 7340 HN VAL A 484 39.008 9.475 18.684 +ATOM 7340 H VAL A 484 39.008 9.475 18.684 ATOM 7341 CA VAL A 484 38.775 11.431 17.894 ATOM 7342 HA VAL A 484 39.428 12.291 17.800 ATOM 7343 CB VAL A 484 38.285 11.143 16.460 @@ -7355,14 +7355,14 @@ ATOM 7352 HG23 VAL A 484 36.424 10.147 17.044 ATOM 7353 C VAL A 484 37.617 11.736 18.836 ATOM 7354 O VAL A 484 36.874 10.830 19.233 ATOM 7355 N GLY A 485 37.492 12.999 19.230 -ATOM 7356 HN GLY A 485 38.073 13.716 18.848 +ATOM 7356 H GLY A 485 38.073 13.716 18.848 ATOM 7357 CA GLY A 485 36.490 13.308 20.229 -ATOM 7358 HA1 GLY A 485 36.365 14.404 20.361 +ATOM 7358 HA3 GLY A 485 36.365 14.404 20.361 ATOM 7359 HA2 GLY A 485 35.495 12.896 19.955 ATOM 7360 C GLY A 485 36.855 12.731 21.590 ATOM 7361 O GLY A 485 38.007 12.390 21.875 ATOM 7362 N ALA A 486 35.838 12.616 22.439 -ATOM 7363 HN ALA A 486 34.920 12.845 22.118 +ATOM 7363 H ALA A 486 34.920 12.845 22.118 ATOM 7364 CA ALA A 486 36.001 12.171 23.816 ATOM 7365 HA ALA A 486 37.060 12.056 24.019 ATOM 7366 CB ALA A 486 35.445 13.212 24.788 @@ -7372,18 +7372,18 @@ ATOM 7369 HB3 ALA A 486 34.363 13.382 24.602 ATOM 7370 C ALA A 486 35.325 10.818 24.020 ATOM 7371 O ALA A 486 34.688 10.266 23.116 ATOM 7372 N GLY A 487 35.469 10.290 25.229 -ATOM 7373 HN GLY A 487 35.975 10.799 25.924 +ATOM 7373 H GLY A 487 35.975 10.799 25.924 ATOM 7374 CA GLY A 487 34.911 8.993 25.571 -ATOM 7375 HA1 GLY A 487 34.503 8.989 26.605 +ATOM 7375 HA3 GLY A 487 34.503 8.989 26.605 ATOM 7376 HA2 GLY A 487 34.084 8.715 24.883 ATOM 7377 C GLY A 487 35.966 7.897 25.488 ATOM 7378 O GLY A 487 37.090 8.073 25.955 ATOM 7379 N ASN A 488 35.597 6.770 24.885 -ATOM 7380 HN ASN A 488 34.664 6.702 24.534 +ATOM 7380 H ASN A 488 34.664 6.702 24.534 ATOM 7381 CA ASN A 488 36.486 5.631 24.712 ATOM 7382 HA ASN A 488 37.489 5.915 25.010 ATOM 7383 CB ASN A 488 36.066 4.460 25.605 -ATOM 7384 HB1 ASN A 488 34.997 4.189 25.474 +ATOM 7384 HB3 ASN A 488 34.997 4.189 25.474 ATOM 7385 HB2 ASN A 488 36.650 3.538 25.398 ATOM 7386 CG ASN A 488 36.252 4.760 27.076 ATOM 7387 OD1 ASN A 488 35.326 5.204 27.755 @@ -7393,11 +7393,11 @@ ATOM 7390 HD22 ASN A 488 38.212 4.174 27.024 ATOM 7391 C ASN A 488 36.493 5.224 23.246 ATOM 7392 O ASN A 488 35.630 5.633 22.468 ATOM 7393 N ASN A 489 37.471 4.403 22.862 -ATOM 7394 HN ASN A 489 38.122 4.040 23.527 +ATOM 7394 H ASN A 489 38.122 4.040 23.527 ATOM 7395 CA ASN A 489 37.570 4.046 21.454 ATOM 7396 HA ASN A 489 37.436 4.943 20.860 ATOM 7397 CB ASN A 489 38.962 3.498 21.118 -ATOM 7398 HB1 ASN A 489 39.094 3.252 20.043 +ATOM 7398 HB3 ASN A 489 39.094 3.252 20.043 ATOM 7399 HB2 ASN A 489 39.786 4.204 21.357 ATOM 7400 CG ASN A 489 39.307 2.217 21.864 ATOM 7401 OD1 ASN A 489 38.455 1.366 22.115 @@ -7407,11 +7407,11 @@ ATOM 7404 HD22 ASN A 489 41.277 2.761 21.998 ATOM 7405 C ASN A 489 36.456 3.068 21.070 ATOM 7406 O ASN A 489 35.730 2.539 21.917 ATOM 7407 N TRP A 490 36.346 2.820 19.761 -ATOM 7408 HN TRP A 490 37.125 2.998 19.161 +ATOM 7408 H TRP A 490 37.125 2.998 19.161 ATOM 7409 CA TRP A 490 35.107 2.293 19.192 ATOM 7410 HA TRP A 490 34.305 2.950 19.508 ATOM 7411 CB TRP A 490 35.198 2.285 17.664 -ATOM 7412 HB1 TRP A 490 34.215 2.164 17.160 +ATOM 7412 HB3 TRP A 490 34.215 2.164 17.160 ATOM 7413 HB2 TRP A 490 35.627 3.217 17.239 ATOM 7414 CG TRP A 490 36.046 1.189 17.123 ATOM 7415 CD1 TRP A 490 37.371 1.256 16.803 @@ -7431,46 +7431,46 @@ ATOM 7428 HH2 TRP A 490 35.426 -3.864 15.840 ATOM 7429 C TRP A 490 34.760 0.901 19.712 ATOM 7430 O TRP A 490 33.576 0.589 19.885 ATOM 7431 N CYX A 491 35.755 0.048 19.961 -ATOM 7432 HN CYX A 491 36.700 0.365 19.899 +ATOM 7432 H CYX A 491 36.700 0.365 19.899 ATOM 7433 CA CYX A 491 35.488 -1.338 20.322 ATOM 7434 HA CYX A 491 34.444 -1.519 20.095 ATOM 7435 CB CYX A 491 36.362 -2.286 19.500 -ATOM 7436 HB1 CYX A 491 36.234 -3.366 19.727 +ATOM 7436 HB3 CYX A 491 36.234 -3.366 19.727 ATOM 7437 HB2 CYX A 491 36.208 -2.240 18.401 ATOM 7438 SG CYX A 491 38.135 -2.041 19.673 ATOM 7439 C CYX A 491 35.674 -1.612 21.810 ATOM 7440 O CYX A 491 35.808 -2.776 22.203 ATOM 7441 N SER A 492 35.680 -0.568 22.645 -ATOM 7442 HN SER A 492 35.680 0.359 22.271 +ATOM 7442 H SER A 492 35.680 0.359 22.271 ATOM 7443 CA SER A 492 35.687 -0.756 24.087 ATOM 7444 HA SER A 492 36.600 -1.264 24.376 ATOM 7445 CB SER A 492 35.645 0.598 24.794 -ATOM 7446 HB1 SER A 492 34.685 1.122 24.597 +ATOM 7446 HB3 SER A 492 34.685 1.122 24.597 ATOM 7447 HB2 SER A 492 35.747 0.477 25.894 ATOM 7448 OG SER A 492 36.698 1.438 24.349 -ATOM 7449 HG1 SER A 492 36.671 2.294 24.796 +ATOM 7449 HG SER A 492 36.671 2.294 24.796 ATOM 7450 C SER A 492 34.493 -1.618 24.502 ATOM 7451 O SER A 492 33.473 -1.652 23.810 ATOM 7452 N PRO A 493 34.582 -2.314 25.651 ATOM 7453 CD PRO A 493 33.498 -3.259 25.975 -ATOM 7454 HD1 PRO A 493 33.454 -3.920 25.083 +ATOM 7454 HD3 PRO A 493 33.454 -3.920 25.083 ATOM 7455 HD2 PRO A 493 32.612 -2.602 26.110 ATOM 7456 CA PRO A 493 35.598 -2.279 26.712 ATOM 7457 HA PRO A 493 35.929 -1.259 26.871 ATOM 7458 CB PRO A 493 34.879 -2.948 27.886 -ATOM 7459 HB1 PRO A 493 34.355 -2.107 28.389 +ATOM 7459 HB3 PRO A 493 34.355 -2.107 28.389 ATOM 7460 HB2 PRO A 493 35.704 -3.398 28.479 ATOM 7461 CG PRO A 493 33.981 -3.932 27.235 -ATOM 7462 HG1 PRO A 493 33.064 -4.146 27.824 +ATOM 7462 HG3 PRO A 493 33.064 -4.146 27.824 ATOM 7463 HG2 PRO A 493 34.508 -4.849 26.895 ATOM 7464 C PRO A 493 36.905 -3.017 26.419 ATOM 7465 O PRO A 493 37.028 -3.733 25.424 ATOM 7466 N TYR A 494 37.872 -2.815 27.313 -ATOM 7467 HN TYR A 494 37.719 -2.156 28.048 +ATOM 7467 H TYR A 494 37.719 -2.156 28.048 ATOM 7468 CA TYR A 494 39.145 -3.522 27.256 ATOM 7469 HA TYR A 494 39.601 -3.376 26.283 ATOM 7470 CB TYR A 494 40.078 -2.962 28.333 -ATOM 7471 HB1 TYR A 494 40.342 -1.886 28.251 +ATOM 7471 HB3 TYR A 494 40.342 -1.886 28.251 ATOM 7472 HB2 TYR A 494 39.718 -3.023 29.382 ATOM 7473 CG TYR A 494 41.445 -3.602 28.443 ATOM 7474 CD1 TYR A 494 42.523 -3.113 27.712 @@ -7487,7 +7487,7 @@ ATOM 7484 HE2 TYR A 494 43.070 -6.075 30.105 ATOM 7485 C TYR A 494 38.927 -5.019 27.448 ATOM 7486 O TYR A 494 38.161 -5.445 28.317 ATOM 7487 N ILE A 495 39.602 -5.816 26.625 -ATOM 7488 HN ILE A 495 40.262 -5.409 25.995 +ATOM 7488 H ILE A 495 40.262 -5.409 25.995 ATOM 7489 CA ILE A 495 39.415 -7.262 26.608 ATOM 7490 HA ILE A 495 38.413 -7.500 26.946 ATOM 7491 CB ILE A 495 39.547 -7.826 25.188 @@ -7497,27 +7497,27 @@ ATOM 7494 HG21 ILE A 495 39.500 -9.752 24.168 ATOM 7495 HG22 ILE A 495 38.412 -9.641 25.599 ATOM 7496 HG23 ILE A 495 40.190 -9.807 25.830 ATOM 7497 CG1 ILE A 495 38.506 -7.194 24.265 -ATOM 7498 HG11 ILE A 495 37.461 -7.488 24.500 +ATOM 7498 HG13 ILE A 495 37.461 -7.488 24.500 ATOM 7499 HG12 ILE A 495 38.501 -6.083 24.289 ATOM 7500 CD1 ILE A 495 38.689 -7.549 22.803 -ATOM 7501 HD1 ILE A 495 37.932 -7.090 22.132 -ATOM 7502 HD2 ILE A 495 38.629 -8.639 22.595 -ATOM 7503 HD3 ILE A 495 39.669 -7.234 22.384 +ATOM 7501 HD11 ILE A 495 37.932 -7.090 22.132 +ATOM 7502 HD12 ILE A 495 38.629 -8.639 22.595 +ATOM 7503 HD13 ILE A 495 39.669 -7.234 22.384 ATOM 7504 C ILE A 495 40.438 -7.892 27.546 ATOM 7505 O ILE A 495 41.634 -7.904 27.250 ATOM 7506 N GLY A 496 39.970 -8.421 28.675 -ATOM 7507 HN GLY A 496 38.999 -8.341 28.894 +ATOM 7507 H GLY A 496 38.999 -8.341 28.894 ATOM 7508 CA GLY A 496 40.857 -9.111 29.587 -ATOM 7509 HA1 GLY A 496 41.781 -8.530 29.796 +ATOM 7509 HA3 GLY A 496 41.781 -8.530 29.796 ATOM 7510 HA2 GLY A 496 40.379 -9.309 30.570 ATOM 7511 C GLY A 496 41.305 -10.456 29.046 ATOM 7512 O GLY A 496 40.712 -11.019 28.125 ATOM 7513 N TRP A 497 42.384 -10.980 29.642 -ATOM 7514 HN TRP A 497 42.814 -10.494 30.401 +ATOM 7514 H TRP A 497 42.814 -10.494 30.401 ATOM 7515 CA TRP A 497 42.938 -12.256 29.192 ATOM 7516 HA TRP A 497 43.159 -12.158 28.135 ATOM 7517 CB TRP A 497 44.229 -12.577 29.948 -ATOM 7518 HB1 TRP A 497 44.885 -13.306 29.426 +ATOM 7518 HB3 TRP A 497 44.885 -13.306 29.426 ATOM 7519 HB2 TRP A 497 44.876 -11.692 30.128 ATOM 7520 CG TRP A 497 44.003 -13.171 31.312 ATOM 7521 CD1 TRP A 497 43.872 -12.493 32.487 @@ -7537,14 +7537,14 @@ ATOM 7534 HH2 TRP A 497 43.420 -17.972 33.404 ATOM 7535 C TRP A 497 41.941 -13.393 29.360 ATOM 7536 O TRP A 497 41.970 -14.359 28.589 ATOM 7537 N GLN A 498 41.062 -13.302 30.364 -ATOM 7538 HN GLN A 498 41.106 -12.526 30.991 +ATOM 7538 H GLN A 498 41.106 -12.526 30.991 ATOM 7539 CA GLN A 498 40.039 -14.325 30.552 ATOM 7540 HA GLN A 498 40.538 -15.268 30.743 ATOM 7541 CB GLN A 498 39.156 -13.980 31.754 -ATOM 7542 HB1 GLN A 498 38.522 -13.078 31.618 +ATOM 7542 HB3 GLN A 498 38.522 -13.078 31.618 ATOM 7543 HB2 GLN A 498 38.433 -14.774 32.039 ATOM 7544 CG GLN A 498 39.919 -13.701 33.039 -ATOM 7545 HG1 GLN A 498 39.356 -14.007 33.946 +ATOM 7545 HG3 GLN A 498 39.356 -14.007 33.946 ATOM 7546 HG2 GLN A 498 40.891 -14.237 33.085 ATOM 7547 CD GLN A 498 40.241 -12.229 33.220 ATOM 7548 OE1 GLN A 498 40.651 -11.551 32.277 @@ -7554,20 +7554,20 @@ ATOM 7551 HE22 GLN A 498 39.720 -12.276 35.200 ATOM 7552 C GLN A 498 39.188 -14.486 29.300 ATOM 7553 O GLN A 498 38.837 -15.609 28.919 ATOM 7554 N LYS A 499 38.865 -13.375 28.634 -ATOM 7555 HN LYS A 499 39.220 -12.494 28.943 +ATOM 7555 H LYS A 499 39.220 -12.494 28.943 ATOM 7556 CA LYS A 499 37.999 -13.433 27.460 ATOM 7557 HA LYS A 499 37.190 -14.118 27.687 ATOM 7558 CB LYS A 499 37.423 -12.049 27.161 -ATOM 7559 HB1 LYS A 499 37.016 -11.540 28.061 +ATOM 7559 HB3 LYS A 499 37.016 -11.540 28.061 ATOM 7560 HB2 LYS A 499 38.171 -11.346 26.735 ATOM 7561 CG LYS A 499 36.281 -12.079 26.162 -ATOM 7562 HG1 LYS A 499 36.644 -12.227 25.123 +ATOM 7562 HG3 LYS A 499 36.644 -12.227 25.123 ATOM 7563 HG2 LYS A 499 35.566 -12.902 26.376 ATOM 7564 CD LYS A 499 35.487 -10.789 26.174 -ATOM 7565 HD1 LYS A 499 36.075 -9.960 25.724 +ATOM 7565 HD3 LYS A 499 36.075 -9.960 25.724 ATOM 7566 HD2 LYS A 499 35.221 -10.500 27.213 ATOM 7567 CE LYS A 499 34.200 -10.941 25.381 -ATOM 7568 HE1 LYS A 499 33.423 -11.480 25.964 +ATOM 7568 HE3 LYS A 499 33.423 -11.480 25.964 ATOM 7569 HE2 LYS A 499 34.365 -11.511 24.442 ATOM 7570 NZ LYS A 499 33.632 -9.619 25.003 ATOM 7571 HZ1 LYS A 499 32.786 -9.719 24.482 @@ -7576,7 +7576,7 @@ ATOM 7573 HZ3 LYS A 499 34.268 -9.094 24.440 ATOM 7574 C LYS A 499 38.726 -13.979 26.236 ATOM 7575 O LYS A 499 38.131 -14.716 25.443 ATOM 7576 N VAL A 500 40.004 -13.634 26.052 -ATOM 7577 HN VAL A 500 40.465 -13.023 26.694 +ATOM 7577 H VAL A 500 40.465 -13.023 26.694 ATOM 7578 CA VAL A 500 40.711 -14.169 24.892 ATOM 7579 HA VAL A 500 40.062 -14.097 24.027 ATOM 7580 CB VAL A 500 41.971 -13.331 24.575 @@ -7592,11 +7592,11 @@ ATOM 7589 HG23 VAL A 500 43.060 -14.922 23.525 ATOM 7590 C VAL A 500 41.032 -15.647 25.094 ATOM 7591 O VAL A 500 41.114 -16.410 24.121 ATOM 7592 N TYR A 501 41.182 -16.089 26.347 -ATOM 7593 HN TYR A 501 41.138 -15.446 27.110 +ATOM 7593 H TYR A 501 41.138 -15.446 27.110 ATOM 7594 CA TYR A 501 41.410 -17.509 26.603 ATOM 7595 HA TYR A 501 42.234 -17.832 25.977 ATOM 7596 CB TYR A 501 41.786 -17.735 28.070 -ATOM 7597 HB1 TYR A 501 42.578 -17.047 28.435 +ATOM 7597 HB3 TYR A 501 42.578 -17.047 28.435 ATOM 7598 HB2 TYR A 501 40.935 -17.597 28.771 ATOM 7599 CG TYR A 501 42.311 -19.131 28.351 ATOM 7600 CD1 TYR A 501 41.443 -20.189 28.607 @@ -7613,11 +7613,11 @@ ATOM 7610 HE2 TYR A 501 45.230 -20.845 28.592 ATOM 7611 C TYR A 501 40.184 -18.340 26.237 ATOM 7612 O TYR A 501 40.301 -19.378 25.576 ATOM 7613 N ASP A 502 38.998 -17.899 26.661 -ATOM 7614 HN ASP A 502 38.944 -17.016 27.124 +ATOM 7614 H ASP A 502 38.944 -17.016 27.124 ATOM 7615 CA ASP A 502 37.778 -18.674 26.465 ATOM 7616 HA ASP A 502 38.037 -19.704 26.679 ATOM 7617 CB ASP A 502 36.686 -18.183 27.416 -ATOM 7618 HB1 ASP A 502 36.627 -17.075 27.461 +ATOM 7618 HB3 ASP A 502 36.627 -17.075 27.461 ATOM 7619 HB2 ASP A 502 35.674 -18.536 27.122 ATOM 7620 CG ASP A 502 36.900 -18.652 28.837 ATOM 7621 OD1 ASP A 502 37.878 -19.391 29.074 @@ -7625,11 +7625,11 @@ ATOM 7622 OD2 ASP A 502 36.090 -18.284 29.714 ATOM 7623 C ASP A 502 37.255 -18.635 25.035 ATOM 7624 O ASP A 502 36.395 -19.452 24.689 ATOM 7625 N ASN A 503 37.738 -17.713 24.205 -ATOM 7626 HN ASN A 503 38.419 -17.067 24.546 +ATOM 7626 H ASN A 503 38.419 -17.067 24.546 ATOM 7627 CA ASN A 503 37.307 -17.613 22.811 ATOM 7628 HA ASN A 503 36.225 -17.644 22.753 ATOM 7629 CB ASN A 503 37.761 -16.286 22.214 -ATOM 7630 HB1 ASN A 503 37.358 -15.407 22.761 +ATOM 7630 HB3 ASN A 503 37.358 -15.407 22.761 ATOM 7631 HB2 ASN A 503 38.866 -16.167 22.218 ATOM 7632 CG ASN A 503 37.329 -16.111 20.770 ATOM 7633 OD1 ASN A 503 38.161 -16.041 19.865 @@ -7639,32 +7639,32 @@ ATOM 7636 HD22 ASN A 503 35.346 -16.091 21.282 ATOM 7637 C ASN A 503 37.878 -18.793 22.035 ATOM 7638 O ASN A 503 39.054 -18.800 21.669 ATOM 7639 N SER A 504 37.043 -19.797 21.767 -ATOM 7640 HN SER A 504 36.074 -19.693 21.985 +ATOM 7640 H SER A 504 36.074 -19.693 21.985 ATOM 7641 CA SER A 504 37.504 -21.042 21.165 ATOM 7642 HA SER A 504 38.586 -21.067 21.225 ATOM 7643 CB SER A 504 36.944 -22.243 21.926 -ATOM 7644 HB1 SER A 504 37.320 -22.267 22.971 +ATOM 7644 HB3 SER A 504 37.320 -22.267 22.971 ATOM 7645 HB2 SER A 504 35.834 -22.210 21.967 ATOM 7646 OG SER A 504 37.317 -23.461 21.306 -ATOM 7647 HG1 SER A 504 36.963 -24.220 21.787 +ATOM 7647 HG SER A 504 36.963 -24.220 21.787 ATOM 7648 C SER A 504 37.103 -21.112 19.699 ATOM 7649 O SER A 504 35.903 -21.060 19.387 ATOM 7650 N PRO A 505 38.062 -21.231 18.774 ATOM 7651 CD PRO A 505 39.511 -21.050 18.949 -ATOM 7652 HD1 PRO A 505 39.841 -22.039 19.334 +ATOM 7652 HD3 PRO A 505 39.841 -22.039 19.334 ATOM 7653 HD2 PRO A 505 39.571 -20.215 19.680 ATOM 7654 CA PRO A 505 37.691 -21.455 17.365 ATOM 7655 HA PRO A 505 36.999 -20.704 17.001 ATOM 7656 CB PRO A 505 39.047 -21.443 16.642 -ATOM 7657 HB1 PRO A 505 38.863 -20.903 15.689 +ATOM 7657 HB3 PRO A 505 38.863 -20.903 15.689 ATOM 7658 HB2 PRO A 505 39.310 -22.513 16.500 ATOM 7659 CG PRO A 505 39.977 -20.719 17.566 -ATOM 7660 HG1 PRO A 505 39.901 -19.614 17.480 +ATOM 7660 HG3 PRO A 505 39.901 -19.614 17.480 ATOM 7661 HG2 PRO A 505 41.023 -21.088 17.506 ATOM 7662 C PRO A 505 36.947 -22.762 17.143 ATOM 7663 O PRO A 505 36.065 -22.829 16.276 ATOM 7664 N ALA A 506 37.283 -23.807 17.908 -ATOM 7665 HN ALA A 506 38.017 -23.712 18.579 +ATOM 7665 H ALA A 506 38.017 -23.712 18.579 ATOM 7666 CA ALA A 506 36.589 -25.085 17.773 ATOM 7667 HA ALA A 506 36.702 -25.424 16.750 ATOM 7668 CB ALA A 506 37.208 -26.120 18.713 @@ -7674,7 +7674,7 @@ ATOM 7671 HB3 ALA A 506 37.126 -25.776 19.766 ATOM 7672 C ALA A 506 35.100 -24.938 18.052 ATOM 7673 O ALA A 506 34.268 -25.526 17.351 ATOM 7674 N VAL A 507 34.746 -24.162 19.077 -ATOM 7675 HN VAL A 507 35.450 -23.772 19.669 +ATOM 7675 H VAL A 507 35.450 -23.772 19.669 ATOM 7676 CA VAL A 507 33.340 -23.877 19.343 ATOM 7677 HA VAL A 507 32.789 -24.808 19.402 ATOM 7678 CB VAL A 507 33.199 -23.156 20.698 @@ -7690,7 +7690,7 @@ ATOM 7687 HG23 VAL A 507 34.608 -24.448 21.741 ATOM 7688 C VAL A 507 32.738 -23.064 18.203 ATOM 7689 O VAL A 507 31.577 -23.261 17.823 ATOM 7690 N ILE A 508 33.526 -22.156 17.624 -ATOM 7691 HN ILE A 508 34.481 -22.081 17.907 +ATOM 7691 H ILE A 508 34.481 -22.081 17.907 ATOM 7692 CA ILE A 508 33.013 -21.271 16.583 ATOM 7693 HA ILE A 508 32.039 -20.900 16.882 ATOM 7694 CB ILE A 508 33.961 -20.067 16.416 @@ -7700,16 +7700,16 @@ ATOM 7697 HG21 ILE A 508 34.269 -18.366 15.079 ATOM 7698 HG22 ILE A 508 32.551 -18.838 15.285 ATOM 7699 HG23 ILE A 508 33.639 -19.836 14.267 ATOM 7700 CG1 ILE A 508 33.941 -19.198 17.676 -ATOM 7701 HG11 ILE A 508 32.990 -18.644 17.827 +ATOM 7701 HG13 ILE A 508 32.990 -18.644 17.827 ATOM 7702 HG12 ILE A 508 34.087 -19.767 18.619 ATOM 7703 CD1 ILE A 508 35.013 -18.132 17.704 -ATOM 7704 HD1 ILE A 508 34.998 -17.501 18.618 -ATOM 7705 HD2 ILE A 508 34.952 -17.408 16.863 -ATOM 7706 HD3 ILE A 508 36.048 -18.532 17.655 +ATOM 7704 HD11 ILE A 508 34.998 -17.501 18.618 +ATOM 7705 HD12 ILE A 508 34.952 -17.408 16.863 +ATOM 7706 HD13 ILE A 508 36.048 -18.532 17.655 ATOM 7707 C ILE A 508 32.808 -22.021 15.271 ATOM 7708 O ILE A 508 31.871 -21.724 14.519 ATOM 7709 N ALA A 509 33.653 -23.012 14.980 -ATOM 7710 HN ALA A 509 34.329 -23.290 15.661 +ATOM 7710 H ALA A 509 34.329 -23.290 15.661 ATOM 7711 CA ALA A 509 33.615 -23.700 13.695 ATOM 7712 HA ALA A 509 33.056 -23.049 13.032 ATOM 7713 CB ALA A 509 35.038 -23.928 13.176 @@ -7719,11 +7719,11 @@ ATOM 7716 HB3 ALA A 509 35.614 -24.548 13.896 ATOM 7717 C ALA A 509 32.885 -25.036 13.728 ATOM 7718 O ALA A 509 32.416 -25.488 12.677 ATOM 7719 N LEU A 510 32.798 -25.684 14.891 -ATOM 7720 HN LEU A 510 33.254 -25.287 15.686 +ATOM 7720 H LEU A 510 33.254 -25.287 15.686 ATOM 7721 CA LEU A 510 32.071 -26.947 15.069 ATOM 7722 HA LEU A 510 32.176 -27.356 16.068 ATOM 7723 CB LEU A 510 30.573 -26.682 14.897 -ATOM 7724 HB1 LEU A 510 30.312 -26.094 13.991 +ATOM 7724 HB3 LEU A 510 30.312 -26.094 13.991 ATOM 7725 HB2 LEU A 510 29.951 -27.599 14.813 ATOM 7726 CG LEU A 510 29.933 -25.901 16.046 ATOM 7727 HG LEU A 510 30.317 -24.888 16.018 @@ -7738,49 +7738,49 @@ ATOM 7735 HD23 LEU A 510 29.960 -27.570 17.447 ATOM 7736 C LEU A 510 32.673 -27.998 14.143 ATOM 7737 O LEU A 510 33.881 -28.266 14.250 ATOM 7738 N GLU A 511 31.906 -28.611 13.241 -ATOM 7739 HN GLU A 511 30.969 -28.297 13.095 +ATOM 7739 H GLU A 511 30.969 -28.297 13.095 ATOM 7740 CA GLU A 511 32.419 -29.735 12.464 ATOM 7741 HA GLU A 511 32.890 -30.411 13.168 ATOM 7742 CB GLU A 511 31.271 -30.444 11.744 -ATOM 7743 HB1 GLU A 511 31.590 -31.169 10.965 +ATOM 7743 HB3 GLU A 511 31.590 -31.169 10.965 ATOM 7744 HB2 GLU A 511 30.607 -31.041 12.406 ATOM 7745 CG GLU A 511 30.314 -29.517 11.009 -ATOM 7746 HG1 GLU A 511 30.826 -28.650 10.539 +ATOM 7746 HG3 GLU A 511 30.826 -28.650 10.539 ATOM 7747 HG2 GLU A 511 29.764 -30.025 10.188 ATOM 7748 CD GLU A 511 29.249 -28.925 11.916 ATOM 7749 OE1 GLU A 511 28.696 -27.862 11.565 ATOM 7750 OE2 GLU A 511 28.974 -29.516 12.982 ATOM 7751 C GLU A 511 33.489 -29.325 11.457 ATOM 7752 O GLU A 511 34.312 -30.165 11.076 -ATOM 7753 N HSD A 512 33.503 -28.063 11.020 -ATOM 7754 HN HSD A 512 32.814 -27.428 11.366 -ATOM 7755 CA HSD A 512 34.485 -27.575 10.058 -ATOM 7756 HA HSD A 512 34.751 -28.408 9.418 -ATOM 7757 CB HSD A 512 33.875 -26.453 9.215 -ATOM 7758 HB1 HSD A 512 33.503 -25.595 9.814 -ATOM 7759 HB2 HSD A 512 34.583 -26.005 8.486 -ATOM 7760 ND1 HSD A 512 31.402 -26.559 8.719 -ATOM 7761 HD1 HSD A 512 31.125 -26.018 9.512 -ATOM 7762 CG HSD A 512 32.700 -26.886 8.393 -ATOM 7763 CE1 HSD A 512 30.581 -27.072 7.820 -ATOM 7764 HE1 HSD A 512 29.501 -26.976 7.819 -ATOM 7765 NE2 HSD A 512 31.299 -27.722 6.923 -ATOM 7766 CD2 HSD A 512 32.628 -27.621 7.258 -ATOM 7767 HD2 HSD A 512 33.463 -28.050 6.715 -ATOM 7768 C HSD A 512 35.776 -27.102 10.723 -ATOM 7769 O HSD A 512 36.431 -26.182 10.211 +ATOM 7753 N HID A 512 33.503 -28.063 11.020 +ATOM 7754 H HID A 512 32.814 -27.428 11.366 +ATOM 7755 CA HID A 512 34.485 -27.575 10.058 +ATOM 7756 HA HID A 512 34.751 -28.408 9.418 +ATOM 7757 CB HID A 512 33.875 -26.453 9.215 +ATOM 7758 HB3 HID A 512 33.503 -25.595 9.814 +ATOM 7759 HB2 HID A 512 34.583 -26.005 8.486 +ATOM 7760 ND1 HID A 512 31.402 -26.559 8.719 +ATOM 7761 HD1 HID A 512 31.125 -26.018 9.512 +ATOM 7762 CG HID A 512 32.700 -26.886 8.393 +ATOM 7763 CE1 HID A 512 30.581 -27.072 7.820 +ATOM 7764 HE1 HID A 512 29.501 -26.976 7.819 +ATOM 7765 NE2 HID A 512 31.299 -27.722 6.923 +ATOM 7766 CD2 HID A 512 32.628 -27.621 7.258 +ATOM 7767 HD2 HID A 512 33.463 -28.050 6.715 +ATOM 7768 C HID A 512 35.776 -27.102 10.723 +ATOM 7769 O HID A 512 36.431 -26.182 10.211 ATOM 7770 N ARG A 513 36.165 -27.730 11.839 -ATOM 7771 HN ARG A 513 35.668 -28.543 12.140 +ATOM 7771 H ARG A 513 35.668 -28.543 12.140 ATOM 7772 CA ARG A 513 37.301 -27.254 12.628 ATOM 7773 HA ARG A 513 37.081 -26.236 12.930 ATOM 7774 CB ARG A 513 37.487 -28.128 13.870 -ATOM 7775 HB1 ARG A 513 37.182 -29.189 13.741 +ATOM 7775 HB3 ARG A 513 37.182 -29.189 13.741 ATOM 7776 HB2 ARG A 513 38.533 -28.196 14.237 ATOM 7777 CG ARG A 513 36.707 -27.674 15.086 -ATOM 7778 HG1 ARG A 513 37.052 -26.682 15.449 +ATOM 7778 HG3 ARG A 513 37.052 -26.682 15.449 ATOM 7779 HG2 ARG A 513 35.621 -27.584 14.868 ATOM 7780 CD ARG A 513 36.852 -28.652 16.247 -ATOM 7781 HD1 ARG A 513 35.955 -28.692 16.902 +ATOM 7781 HD3 ARG A 513 35.955 -28.692 16.902 ATOM 7782 HD2 ARG A 513 37.700 -28.409 16.922 ATOM 7783 NE ARG A 513 37.081 -30.031 15.816 ATOM 7784 HE ARG A 513 38.027 -30.331 15.704 @@ -7794,11 +7794,11 @@ ATOM 7791 HH22 ARG A 513 37.393 -32.403 15.084 ATOM 7792 C ARG A 513 38.587 -27.232 11.816 ATOM 7793 O ARG A 513 39.395 -26.304 11.947 ATOM 7794 N ASP A 514 38.804 -28.249 10.980 -ATOM 7795 HN ASP A 514 38.105 -28.954 10.865 +ATOM 7795 H ASP A 514 38.105 -28.954 10.865 ATOM 7796 CA ASP A 514 40.053 -28.339 10.234 ATOM 7797 HA ASP A 514 40.859 -28.282 10.957 ATOM 7798 CB ASP A 514 40.120 -29.667 9.482 -ATOM 7799 HB1 ASP A 514 39.579 -30.480 10.012 +ATOM 7799 HB3 ASP A 514 39.579 -30.480 10.012 ATOM 7800 HB2 ASP A 514 39.673 -29.600 8.467 ATOM 7801 CG ASP A 514 41.539 -30.149 9.294 ATOM 7802 OD1 ASP A 514 42.306 -30.121 10.280 @@ -7806,14 +7806,14 @@ ATOM 7803 OD2 ASP A 514 41.888 -30.553 8.166 ATOM 7804 C ASP A 514 40.238 -27.184 9.260 ATOM 7805 O ASP A 514 41.375 -26.895 8.873 ATOM 7806 N GLN A 515 39.156 -26.519 8.856 -ATOM 7807 HN GLN A 515 38.251 -26.820 9.155 +ATOM 7807 H GLN A 515 38.251 -26.820 9.155 ATOM 7808 CA GLN A 515 39.278 -25.359 7.984 ATOM 7809 HA GLN A 515 40.039 -25.595 7.249 ATOM 7810 CB GLN A 515 37.949 -25.083 7.277 -ATOM 7811 HB1 GLN A 515 37.063 -25.130 7.946 +ATOM 7811 HB3 GLN A 515 37.063 -25.130 7.946 ATOM 7812 HB2 GLN A 515 37.890 -24.080 6.803 ATOM 7813 CG GLN A 515 37.632 -26.060 6.151 -ATOM 7814 HG1 GLN A 515 38.144 -25.799 5.200 +ATOM 7814 HG3 GLN A 515 38.144 -25.799 5.200 ATOM 7815 HG2 GLN A 515 37.937 -27.102 6.388 ATOM 7816 CD GLN A 515 36.151 -26.120 5.827 ATOM 7817 OE1 GLN A 515 35.543 -27.189 5.859 @@ -7823,7 +7823,7 @@ ATOM 7820 HE22 GLN A 515 36.057 -24.101 5.489 ATOM 7821 C GLN A 515 39.738 -24.115 8.730 ATOM 7822 O GLN A 515 40.171 -23.152 8.091 ATOM 7823 N VAL A 516 39.653 -24.108 10.057 -ATOM 7824 HN VAL A 516 39.202 -24.868 10.522 +ATOM 7824 H VAL A 516 39.202 -24.868 10.522 ATOM 7825 CA VAL A 516 40.204 -23.014 10.847 ATOM 7826 HA VAL A 516 39.983 -22.065 10.372 ATOM 7827 CB VAL A 516 39.567 -22.941 12.241 @@ -7839,11 +7839,11 @@ ATOM 7836 HG23 VAL A 516 37.542 -23.173 11.503 ATOM 7837 C VAL A 516 41.712 -23.226 10.930 ATOM 7838 O VAL A 516 42.181 -24.193 11.537 ATOM 7839 N LEU A 517 42.473 -22.344 10.283 -ATOM 7840 HN LEU A 517 42.042 -21.622 9.744 +ATOM 7840 H LEU A 517 42.042 -21.622 9.744 ATOM 7841 CA LEU A 517 43.927 -22.421 10.353 ATOM 7842 HA LEU A 517 44.197 -23.464 10.236 ATOM 7843 CB LEU A 517 44.551 -21.592 9.234 -ATOM 7844 HB1 LEU A 517 44.389 -20.497 9.324 +ATOM 7844 HB3 LEU A 517 44.389 -20.497 9.324 ATOM 7845 HB2 LEU A 517 45.654 -21.691 9.144 ATOM 7846 CG LEU A 517 44.038 -21.924 7.833 ATOM 7847 HG LEU A 517 42.973 -21.726 7.799 @@ -7858,28 +7858,28 @@ ATOM 7855 HD23 LEU A 517 45.332 -23.656 7.567 ATOM 7856 C LEU A 517 44.466 -21.952 11.697 ATOM 7857 O LEU A 517 45.624 -22.242 12.019 ATOM 7858 N GLY A 518 43.665 -21.238 12.479 -ATOM 7859 HN GLY A 518 42.730 -21.049 12.181 +ATOM 7859 H GLY A 518 42.730 -21.049 12.181 ATOM 7860 CA GLY A 518 44.120 -20.728 13.754 -ATOM 7861 HA1 GLY A 518 43.824 -21.383 14.601 +ATOM 7861 HA3 GLY A 518 43.824 -21.383 14.601 ATOM 7862 HA2 GLY A 518 45.226 -20.634 13.802 ATOM 7863 C GLY A 518 43.559 -19.351 14.059 ATOM 7864 O GLY A 518 42.475 -19.005 13.596 ATOM 7865 N GLY A 519 44.296 -18.559 14.837 -ATOM 7866 HN GLY A 519 45.186 -18.873 15.163 +ATOM 7866 H GLY A 519 45.186 -18.873 15.163 ATOM 7867 CA GLY A 519 43.815 -17.247 15.212 -ATOM 7868 HA1 GLY A 519 43.086 -16.862 14.467 +ATOM 7868 HA3 GLY A 519 43.086 -16.862 14.467 ATOM 7869 HA2 GLY A 519 43.310 -17.276 16.201 ATOM 7870 C GLY A 519 44.955 -16.257 15.301 ATOM 7871 O GLY A 519 46.132 -16.615 15.204 ATOM 7872 N GLU A 520 44.591 -14.996 15.505 -ATOM 7873 HN GLU A 520 43.629 -14.785 15.674 +ATOM 7873 H GLU A 520 43.629 -14.785 15.674 ATOM 7874 CA GLU A 520 45.566 -13.916 15.487 ATOM 7875 HA GLU A 520 46.509 -14.280 15.879 ATOM 7876 CB GLU A 520 45.808 -13.433 14.057 -ATOM 7877 HB1 GLU A 520 46.169 -14.219 13.360 +ATOM 7877 HB3 GLU A 520 46.169 -14.219 13.360 ATOM 7878 HB2 GLU A 520 44.909 -13.018 13.553 ATOM 7879 CG GLU A 520 46.842 -12.329 13.932 -ATOM 7880 HG1 GLU A 520 46.416 -11.329 14.163 +ATOM 7880 HG3 GLU A 520 46.416 -11.329 14.163 ATOM 7881 HG2 GLU A 520 47.699 -12.478 14.623 ATOM 7882 CD GLU A 520 47.419 -12.244 12.535 ATOM 7883 OE1 GLU A 520 46.895 -11.457 11.718 @@ -7887,7 +7887,7 @@ ATOM 7884 OE2 GLU A 520 48.394 -12.972 12.253 ATOM 7885 C GLU A 520 45.067 -12.777 16.358 ATOM 7886 O GLU A 520 43.965 -12.266 16.137 ATOM 7887 N ALA A 521 45.868 -12.387 17.346 -ATOM 7888 HN ALA A 521 46.680 -12.928 17.562 +ATOM 7888 H ALA A 521 46.680 -12.928 17.562 ATOM 7889 CA ALA A 521 45.582 -11.187 18.117 ATOM 7890 HA ALA A 521 44.522 -11.148 18.341 ATOM 7891 CB ALA A 521 46.336 -11.205 19.445 @@ -7897,7 +7897,7 @@ ATOM 7894 HB3 ALA A 521 47.433 -11.254 19.274 ATOM 7895 C ALA A 521 45.974 -9.967 17.296 ATOM 7896 O ALA A 521 47.066 -9.919 16.724 ATOM 7897 N ALA A 522 45.083 -8.984 17.230 -ATOM 7898 HN ALA A 522 44.245 -9.056 17.768 +ATOM 7898 H ALA A 522 44.245 -9.056 17.768 ATOM 7899 CA ALA A 522 45.286 -7.803 16.399 ATOM 7900 HA ALA A 522 46.116 -7.986 15.726 ATOM 7901 CB ALA A 522 44.052 -7.515 15.544 @@ -7907,11 +7907,11 @@ ATOM 7904 HB3 ALA A 522 43.159 -7.335 16.180 ATOM 7905 C ALA A 522 45.611 -6.611 17.289 ATOM 7906 O ALA A 522 44.796 -6.222 18.134 ATOM 7907 N LEU A 523 46.796 -6.038 17.100 -ATOM 7908 HN LEU A 523 47.449 -6.479 16.486 +ATOM 7908 H LEU A 523 47.449 -6.479 16.486 ATOM 7909 CA LEU A 523 47.180 -4.791 17.753 ATOM 7910 HA LEU A 523 46.479 -4.554 18.545 ATOM 7911 CB LEU A 523 48.547 -4.898 18.437 -ATOM 7912 HB1 LEU A 523 48.612 -5.638 19.263 +ATOM 7912 HB3 LEU A 523 48.612 -5.638 19.263 ATOM 7913 HB2 LEU A 523 49.391 -5.192 17.777 ATOM 7914 CG LEU A 523 49.061 -3.609 19.093 ATOM 7915 HG LEU A 523 49.299 -2.914 18.296 @@ -7926,11 +7926,11 @@ ATOM 7923 HD23 LEU A 523 50.158 -4.605 20.703 ATOM 7924 C LEU A 523 47.165 -3.700 16.687 ATOM 7925 O LEU A 523 48.176 -3.426 16.037 ATOM 7926 N TRP A 524 45.996 -3.100 16.489 -ATOM 7927 HN TRP A 524 45.164 -3.498 16.873 +ATOM 7927 H TRP A 524 45.164 -3.498 16.873 ATOM 7928 CA TRP A 524 45.917 -1.870 15.719 ATOM 7929 HA TRP A 524 46.467 -1.984 14.792 ATOM 7930 CB TRP A 524 44.463 -1.561 15.362 -ATOM 7931 HB1 TRP A 524 43.847 -1.332 16.258 +ATOM 7931 HB3 TRP A 524 43.847 -1.332 16.258 ATOM 7932 HB2 TRP A 524 44.370 -0.685 14.685 ATOM 7933 CG TRP A 524 43.792 -2.702 14.669 ATOM 7934 CD1 TRP A 524 42.818 -3.513 15.175 @@ -7950,25 +7950,25 @@ ATOM 7947 HH2 TRP A 524 44.080 -5.072 9.978 ATOM 7948 C TRP A 524 46.539 -0.734 16.523 ATOM 7949 O TRP A 524 46.503 -0.727 17.756 ATOM 7950 N SER A 525 47.132 0.230 15.817 -ATOM 7951 HN SER A 525 46.914 0.343 14.849 +ATOM 7951 H SER A 525 46.914 0.343 14.849 ATOM 7952 CA SER A 525 48.097 1.119 16.454 ATOM 7953 HA SER A 525 48.065 0.874 17.509 ATOM 7954 CB SER A 525 49.493 0.880 15.879 -ATOM 7955 HB1 SER A 525 49.514 1.078 14.786 +ATOM 7955 HB3 SER A 525 49.514 1.078 14.786 ATOM 7956 HB2 SER A 525 50.242 1.545 16.360 ATOM 7957 OG SER A 525 49.906 -0.458 16.085 -ATOM 7958 HG1 SER A 525 50.788 -0.609 15.722 +ATOM 7958 HG SER A 525 50.788 -0.609 15.722 ATOM 7959 C SER A 525 47.754 2.599 16.343 ATOM 7960 O SER A 525 48.660 3.432 16.423 ATOM 7961 N GLU A 526 46.482 2.971 16.184 -ATOM 7962 HN GLU A 526 45.757 2.306 16.011 +ATOM 7962 H GLU A 526 45.757 2.306 16.011 ATOM 7963 CA GLU A 526 46.209 4.400 16.277 ATOM 7964 HA GLU A 526 46.927 4.895 15.633 ATOM 7965 CB GLU A 526 44.806 4.757 15.766 -ATOM 7966 HB1 GLU A 526 44.290 5.615 16.247 +ATOM 7966 HB3 GLU A 526 44.290 5.615 16.247 ATOM 7967 HB2 GLU A 526 44.707 5.036 14.695 ATOM 7968 CG GLU A 526 43.737 3.698 15.874 -ATOM 7969 HG1 GLU A 526 43.764 3.139 16.834 +ATOM 7969 HG3 GLU A 526 43.764 3.139 16.834 ATOM 7970 HG2 GLU A 526 42.705 4.103 15.801 ATOM 7971 CD GLU A 526 43.827 2.638 14.793 ATOM 7972 OE1 GLU A 526 44.268 1.517 15.102 @@ -7976,14 +7976,14 @@ ATOM 7973 OE2 GLU A 526 43.456 2.921 13.636 ATOM 7974 C GLU A 526 46.404 4.911 17.701 ATOM 7975 O GLU A 526 46.532 6.122 17.898 ATOM 7976 N GLN A 527 46.472 4.017 18.687 -ATOM 7977 HN GLN A 527 46.303 3.056 18.470 +ATOM 7977 H GLN A 527 46.303 3.056 18.470 ATOM 7978 CA GLN A 527 46.781 4.374 20.068 ATOM 7979 HA GLN A 527 47.200 5.374 20.059 ATOM 7980 CB GLN A 527 45.523 4.388 20.929 -ATOM 7981 HB1 GLN A 527 44.994 3.412 20.980 +ATOM 7981 HB3 GLN A 527 44.994 3.412 20.980 ATOM 7982 HB2 GLN A 527 45.700 4.660 21.992 ATOM 7983 CG GLN A 527 44.466 5.361 20.467 -ATOM 7984 HG1 GLN A 527 44.809 6.415 20.545 +ATOM 7984 HG3 GLN A 527 44.809 6.415 20.545 ATOM 7985 HG2 GLN A 527 44.181 5.193 19.406 ATOM 7986 CD GLN A 527 43.201 5.250 21.283 ATOM 7987 OE1 GLN A 527 42.411 4.324 21.103 @@ -7993,22 +7993,22 @@ ATOM 7990 HE22 GLN A 527 43.644 6.947 22.339 ATOM 7991 C GLN A 527 47.812 3.420 20.661 ATOM 7992 O GLN A 527 47.723 3.031 21.829 ATOM 7993 N SER A 528 48.811 3.033 19.870 -ATOM 7994 HN SER A 528 48.840 3.358 18.926 +ATOM 7994 H SER A 528 48.840 3.358 18.926 ATOM 7995 CA SER A 528 49.862 2.146 20.350 ATOM 7996 HA SER A 528 50.073 2.390 21.385 ATOM 7997 CB SER A 528 49.420 0.679 20.300 -ATOM 7998 HB1 SER A 528 48.536 0.505 20.950 +ATOM 7998 HB3 SER A 528 48.536 0.505 20.950 ATOM 7999 HB2 SER A 528 49.145 0.379 19.266 ATOM 8000 OG SER A 528 50.457 -0.182 20.740 -ATOM 8001 HG1 SER A 528 50.179 -1.106 20.709 +ATOM 8001 HG SER A 528 50.179 -1.106 20.709 ATOM 8002 C SER A 528 51.114 2.347 19.510 ATOM 8003 O SER A 528 51.024 2.544 18.296 ATOM 8004 N ASP A 529 52.274 2.293 20.156 -ATOM 8005 HN ASP A 529 52.278 2.167 21.147 +ATOM 8005 H ASP A 529 52.278 2.167 21.147 ATOM 8006 CA ASP A 529 53.542 2.415 19.443 ATOM 8007 HA ASP A 529 53.487 1.941 18.470 ATOM 8008 CB ASP A 529 53.865 3.895 19.159 -ATOM 8009 HB1 ASP A 529 54.714 4.036 18.457 +ATOM 8009 HB3 ASP A 529 54.714 4.036 18.457 ATOM 8010 HB2 ASP A 529 53.018 4.454 18.707 ATOM 8011 CG ASP A 529 54.244 4.686 20.409 ATOM 8012 OD1 ASP A 529 54.182 4.152 21.536 @@ -8016,7 +8016,7 @@ ATOM 8013 OD2 ASP A 529 54.618 5.868 20.254 ATOM 8014 C ASP A 529 54.622 1.694 20.250 ATOM 8015 O ASP A 529 54.318 0.845 21.095 ATOM 8016 N THR A 530 55.886 2.042 19.987 -ATOM 8017 HN THR A 530 56.058 2.756 19.310 +ATOM 8017 H THR A 530 56.058 2.756 19.310 ATOM 8018 CA THR A 530 57.024 1.415 20.654 ATOM 8019 HA THR A 530 57.097 0.393 20.299 ATOM 8020 CB THR A 530 58.302 2.187 20.308 @@ -8030,18 +8030,18 @@ ATOM 8027 HG23 THR A 530 59.420 1.522 22.056 ATOM 8028 C THR A 530 56.844 1.351 22.167 ATOM 8029 O THR A 530 57.192 0.348 22.801 ATOM 8030 N SER A 531 56.287 2.408 22.762 -ATOM 8031 HN SER A 531 55.901 3.138 22.201 +ATOM 8031 H SER A 531 55.901 3.138 22.201 ATOM 8032 CA SER A 531 56.231 2.518 24.216 ATOM 8033 HA SER A 531 57.191 2.188 24.595 ATOM 8034 CB SER A 531 55.975 3.970 24.618 -ATOM 8035 HB1 SER A 531 55.027 4.345 24.177 +ATOM 8035 HB3 SER A 531 55.027 4.345 24.177 ATOM 8036 HB2 SER A 531 55.901 4.071 25.722 ATOM 8037 OG SER A 531 57.024 4.814 24.174 -ATOM 8038 HG1 SER A 531 56.862 5.731 24.428 +ATOM 8038 HG SER A 531 56.862 5.731 24.428 ATOM 8039 C SER A 531 55.170 1.617 24.838 ATOM 8040 O SER A 531 55.326 1.187 25.986 ATOM 8041 N THR A 532 54.094 1.324 24.111 -ATOM 8042 HN THR A 532 54.058 1.629 23.160 +ATOM 8042 H THR A 532 54.058 1.629 23.160 ATOM 8043 CA THR A 532 52.966 0.574 24.651 ATOM 8044 HA THR A 532 53.096 0.545 25.727 ATOM 8045 CB THR A 532 51.659 1.273 24.280 @@ -8055,11 +8055,11 @@ ATOM 8052 HG23 THR A 532 51.798 2.741 25.870 ATOM 8053 C THR A 532 52.919 -0.866 24.164 ATOM 8054 O THR A 532 52.007 -1.606 24.546 ATOM 8055 N LEU A 533 53.888 -1.279 23.347 -ATOM 8056 HN LEU A 533 54.678 -0.688 23.192 +ATOM 8056 H LEU A 533 54.678 -0.688 23.192 ATOM 8057 CA LEU A 533 53.825 -2.572 22.673 ATOM 8058 HA LEU A 533 52.912 -2.614 22.091 ATOM 8059 CB LEU A 533 55.030 -2.715 21.744 -ATOM 8060 HB1 LEU A 533 55.123 -2.004 20.896 +ATOM 8060 HB3 LEU A 533 55.123 -2.004 20.896 ATOM 8061 HB2 LEU A 533 56.045 -2.614 22.185 ATOM 8062 CG LEU A 533 55.206 -4.028 20.997 ATOM 8063 HG LEU A 533 55.377 -4.831 21.705 @@ -8074,11 +8074,11 @@ ATOM 8071 HD23 LEU A 533 56.217 -3.086 19.352 ATOM 8072 C LEU A 533 53.772 -3.725 23.671 ATOM 8073 O LEU A 533 52.913 -4.609 23.570 ATOM 8074 N ASP A 534 54.690 -3.731 24.641 -ATOM 8075 HN ASP A 534 55.332 -2.969 24.716 +ATOM 8075 H ASP A 534 55.332 -2.969 24.716 ATOM 8076 CA ASP A 534 54.769 -4.834 25.594 ATOM 8077 HA ASP A 534 54.952 -5.746 25.037 ATOM 8078 CB ASP A 534 55.924 -4.601 26.571 -ATOM 8079 HB1 ASP A 534 55.930 -3.572 26.989 +ATOM 8079 HB3 ASP A 534 55.930 -3.572 26.989 ATOM 8080 HB2 ASP A 534 55.892 -5.288 27.444 ATOM 8081 CG ASP A 534 57.281 -4.801 25.929 ATOM 8082 OD1 ASP A 534 57.327 -5.111 24.720 @@ -8086,24 +8086,24 @@ ATOM 8083 OD2 ASP A 534 58.302 -4.645 26.631 ATOM 8084 C ASP A 534 53.459 -5.010 26.353 ATOM 8085 O ASP A 534 52.955 -6.130 26.493 ATOM 8086 N GLY A 535 52.891 -3.907 26.848 -ATOM 8087 HN GLY A 535 53.299 -3.013 26.666 +ATOM 8087 H GLY A 535 53.299 -3.013 26.666 ATOM 8088 CA GLY A 535 51.682 -4.001 27.650 -ATOM 8089 HA1 GLY A 535 51.745 -4.757 28.462 +ATOM 8089 HA3 GLY A 535 51.745 -4.757 28.462 ATOM 8090 HA2 GLY A 535 51.412 -3.051 28.159 ATOM 8091 C GLY A 535 50.453 -4.383 26.851 ATOM 8092 O GLY A 535 49.574 -5.087 27.359 ATOM 8093 N ARG A 536 50.368 -3.927 25.599 -ATOM 8094 HN ARG A 536 51.083 -3.329 25.239 +ATOM 8094 H ARG A 536 51.083 -3.329 25.239 ATOM 8095 CA ARG A 536 49.237 -4.296 24.753 ATOM 8096 HA ARG A 536 48.326 -4.019 25.270 ATOM 8097 CB ARG A 536 49.305 -3.544 23.424 -ATOM 8098 HB1 ARG A 536 50.302 -3.564 22.935 +ATOM 8098 HB3 ARG A 536 50.302 -3.564 22.935 ATOM 8099 HB2 ARG A 536 48.613 -3.927 22.643 ATOM 8100 CG ARG A 536 48.971 -2.067 23.521 -ATOM 8101 HG1 ARG A 536 49.603 -1.559 24.281 +ATOM 8101 HG3 ARG A 536 49.603 -1.559 24.281 ATOM 8102 HG2 ARG A 536 49.134 -1.551 22.551 ATOM 8103 CD ARG A 536 47.520 -1.853 23.915 -ATOM 8104 HD1 ARG A 536 47.348 -2.063 24.992 +ATOM 8104 HD3 ARG A 536 47.348 -2.063 24.992 ATOM 8105 HD2 ARG A 536 46.834 -2.513 23.342 ATOM 8106 NE ARG A 536 47.088 -0.478 23.675 ATOM 8107 HE ARG A 536 46.557 -0.293 22.849 @@ -8117,11 +8117,11 @@ ATOM 8114 HH22 ARG A 536 46.391 1.904 23.349 ATOM 8115 C ARG A 536 49.201 -5.797 24.507 ATOM 8116 O ARG A 536 48.138 -6.423 24.593 ATOM 8117 N LEU A 537 50.356 -6.394 24.216 -ATOM 8118 HN LEU A 537 51.205 -5.873 24.289 +ATOM 8118 H LEU A 537 51.205 -5.873 24.289 ATOM 8119 CA LEU A 537 50.413 -7.786 23.794 ATOM 8120 HA LEU A 537 49.468 -7.992 23.304 ATOM 8121 CB LEU A 537 51.583 -7.995 22.829 -ATOM 8122 HB1 LEU A 537 52.593 -7.705 23.191 +ATOM 8122 HB3 LEU A 537 52.593 -7.705 23.191 ATOM 8123 HB2 LEU A 537 51.771 -9.034 22.483 ATOM 8124 CG LEU A 537 51.524 -7.249 21.497 ATOM 8125 HG LEU A 537 51.550 -6.183 21.694 @@ -8136,11 +8136,11 @@ ATOM 8133 HD23 LEU A 537 50.162 -8.659 20.564 ATOM 8134 C LEU A 537 50.545 -8.763 24.951 ATOM 8135 O LEU A 537 50.008 -9.874 24.875 ATOM 8136 N TRP A 538 51.238 -8.384 26.021 -ATOM 8137 HN TRP A 538 51.519 -7.432 26.130 +ATOM 8137 H TRP A 538 51.519 -7.432 26.130 ATOM 8138 CA TRP A 538 51.580 -9.368 27.026 ATOM 8139 HA TRP A 538 51.138 -10.316 26.741 ATOM 8140 CB TRP A 538 53.104 -9.534 27.103 -ATOM 8141 HB1 TRP A 538 53.571 -8.651 27.589 +ATOM 8141 HB3 TRP A 538 53.571 -8.651 27.589 ATOM 8142 HB2 TRP A 538 53.371 -10.437 27.693 ATOM 8143 CG TRP A 538 53.689 -9.679 25.735 ATOM 8144 CD1 TRP A 538 54.429 -8.759 25.053 @@ -8161,30 +8161,30 @@ ATOM 8158 C TRP A 538 51.016 -8.977 28.387 ATOM 8159 O TRP A 538 51.086 -7.807 28.777 ATOM 8160 N PRO A 539 50.456 -9.939 29.136 ATOM 8161 CD PRO A 539 49.907 -9.729 30.488 -ATOM 8162 HD1 PRO A 539 48.978 -9.149 30.300 +ATOM 8162 HD3 PRO A 539 48.978 -9.149 30.300 ATOM 8163 HD2 PRO A 539 50.712 -9.166 31.007 ATOM 8164 CA PRO A 539 50.462 -11.363 28.775 ATOM 8165 HA PRO A 539 51.277 -11.575 28.092 ATOM 8166 CB PRO A 539 50.527 -12.042 30.141 -ATOM 8167 HB1 PRO A 539 51.614 -12.032 30.370 +ATOM 8167 HB3 PRO A 539 51.614 -12.032 30.370 ATOM 8168 HB2 PRO A 539 50.095 -13.046 29.939 ATOM 8169 CG PRO A 539 49.684 -11.145 31.000 -ATOM 8170 HG1 PRO A 539 50.009 -11.148 32.062 +ATOM 8170 HG3 PRO A 539 50.009 -11.148 32.062 ATOM 8171 HG2 PRO A 539 48.598 -11.350 30.889 ATOM 8172 C PRO A 539 49.233 -11.862 28.007 ATOM 8173 O PRO A 539 49.058 -13.075 27.911 ATOM 8174 N ARG A 540 48.413 -10.960 27.460 -ATOM 8175 HN ARG A 540 48.669 -9.994 27.455 +ATOM 8175 H ARG A 540 48.669 -9.994 27.455 ATOM 8176 CA ARG A 540 47.142 -11.378 26.868 ATOM 8177 HA ARG A 540 46.600 -11.941 27.619 ATOM 8178 CB ARG A 540 46.319 -10.156 26.469 -ATOM 8179 HB1 ARG A 540 46.940 -9.324 26.074 +ATOM 8179 HB3 ARG A 540 46.940 -9.324 26.074 ATOM 8180 HB2 ARG A 540 45.571 -10.375 25.677 ATOM 8181 CG ARG A 540 45.532 -9.567 27.624 -ATOM 8182 HG1 ARG A 540 44.888 -10.332 28.109 +ATOM 8182 HG3 ARG A 540 44.888 -10.332 28.109 ATOM 8183 HG2 ARG A 540 46.205 -9.154 28.406 ATOM 8184 CD ARG A 540 44.631 -8.444 27.164 -ATOM 8185 HD1 ARG A 540 44.158 -7.906 28.013 +ATOM 8185 HD3 ARG A 540 44.158 -7.906 28.013 ATOM 8186 HD2 ARG A 540 43.801 -8.805 26.519 ATOM 8187 NE ARG A 540 45.349 -7.438 26.388 ATOM 8188 HE ARG A 540 46.348 -7.461 26.400 @@ -8198,7 +8198,7 @@ ATOM 8195 HH22 ARG A 540 46.480 -5.666 25.024 ATOM 8196 C ARG A 540 47.346 -12.301 25.672 ATOM 8197 O ARG A 540 46.561 -13.234 25.458 ATOM 8198 N ALA A 541 48.390 -12.058 24.876 -ATOM 8199 HN ALA A 541 48.988 -11.280 25.063 +ATOM 8199 H ALA A 541 48.988 -11.280 25.063 ATOM 8200 CA ALA A 541 48.660 -12.925 23.735 ATOM 8201 HA ALA A 541 47.735 -13.015 23.177 ATOM 8202 CB ALA A 541 49.735 -12.308 22.839 @@ -8208,7 +8208,7 @@ ATOM 8205 HB3 ALA A 541 50.679 -12.168 23.407 ATOM 8206 C ALA A 541 49.073 -14.329 24.160 ATOM 8207 O ALA A 541 48.987 -15.257 23.349 ATOM 8208 N ALA A 542 49.521 -14.508 25.406 -ATOM 8209 HN ALA A 542 49.678 -13.718 25.998 +ATOM 8209 H ALA A 542 49.678 -13.718 25.998 ATOM 8210 CA ALA A 542 49.782 -15.855 25.905 ATOM 8211 HA ALA A 542 50.398 -16.366 25.174 ATOM 8212 CB ALA A 542 50.536 -15.796 27.233 @@ -8218,7 +8218,7 @@ ATOM 8215 HB3 ALA A 542 49.940 -15.248 27.994 ATOM 8216 C ALA A 542 48.490 -16.646 26.066 ATOM 8217 O ALA A 542 48.489 -17.869 25.887 ATOM 8218 N ALA A 543 47.388 -15.971 26.403 -ATOM 8219 HN ALA A 543 47.447 -14.995 26.610 +ATOM 8219 H ALA A 543 47.447 -14.995 26.610 ATOM 8220 CA ALA A 543 46.099 -16.650 26.471 ATOM 8221 HA ALA A 543 46.183 -17.482 27.160 ATOM 8222 CB ALA A 543 45.026 -15.695 26.996 @@ -8228,11 +8228,11 @@ ATOM 8225 HB3 ALA A 543 44.931 -14.817 26.322 ATOM 8226 C ALA A 543 45.711 -17.211 25.109 ATOM 8227 O ALA A 543 45.273 -18.362 25.001 ATOM 8228 N LEU A 544 45.876 -16.411 24.052 -ATOM 8229 HN LEU A 544 46.152 -15.460 24.186 +ATOM 8229 H LEU A 544 46.152 -15.460 24.186 ATOM 8230 CA LEU A 544 45.655 -16.920 22.702 ATOM 8231 HA LEU A 544 44.656 -17.339 22.667 ATOM 8232 CB LEU A 544 45.755 -15.786 21.680 -ATOM 8233 HB1 LEU A 544 44.998 -14.980 21.794 +ATOM 8233 HB3 LEU A 544 44.998 -14.980 21.794 ATOM 8234 HB2 LEU A 544 46.719 -15.233 21.682 ATOM 8235 CG LEU A 544 45.597 -16.213 20.217 ATOM 8236 HG LEU A 544 46.230 -17.078 20.058 @@ -8247,7 +8247,7 @@ ATOM 8244 HD23 LEU A 544 45.488 -14.187 19.383 ATOM 8245 C LEU A 544 46.642 -18.027 22.357 ATOM 8246 O LEU A 544 46.295 -18.962 21.627 ATOM 8247 N ALA A 545 47.868 -17.948 22.882 -ATOM 8248 HN ALA A 545 48.097 -17.190 23.491 +ATOM 8248 H ALA A 545 48.097 -17.190 23.491 ATOM 8249 CA ALA A 545 48.875 -18.957 22.574 ATOM 8250 HA ALA A 545 48.973 -19.016 21.496 ATOM 8251 CB ALA A 545 50.223 -18.555 23.175 @@ -8257,14 +8257,14 @@ ATOM 8254 HB3 ALA A 545 50.136 -18.460 24.279 ATOM 8255 C ALA A 545 48.455 -20.333 23.074 ATOM 8256 O ALA A 545 48.592 -21.328 22.354 ATOM 8257 N GLU A 546 47.938 -20.414 24.303 -ATOM 8258 HN GLU A 546 47.853 -19.593 24.866 +ATOM 8258 H GLU A 546 47.853 -19.593 24.866 ATOM 8259 CA GLU A 546 47.498 -21.707 24.820 ATOM 8260 HA GLU A 546 48.265 -22.438 24.589 ATOM 8261 CB GLU A 546 47.325 -21.646 26.338 -ATOM 8262 HB1 GLU A 546 48.285 -21.512 26.881 +ATOM 8262 HB3 GLU A 546 48.285 -21.512 26.881 ATOM 8263 HB2 GLU A 546 46.675 -20.808 26.669 ATOM 8264 CG GLU A 546 46.697 -22.907 26.919 -ATOM 8265 HG1 GLU A 546 45.587 -22.876 26.936 +ATOM 8265 HG3 GLU A 546 45.587 -22.876 26.936 ATOM 8266 HG2 GLU A 546 46.959 -23.828 26.355 ATOM 8267 CD GLU A 546 47.115 -23.179 28.352 ATOM 8268 OE1 GLU A 546 48.327 -23.360 28.602 @@ -8272,17 +8272,17 @@ ATOM 8269 OE2 GLU A 546 46.225 -23.222 29.227 ATOM 8270 C GLU A 546 46.207 -22.159 24.149 ATOM 8271 O GLU A 546 46.033 -23.351 23.867 ATOM 8272 N ARG A 547 45.290 -21.223 23.883 -ATOM 8273 HN ARG A 547 45.459 -20.275 24.147 +ATOM 8273 H ARG A 547 45.459 -20.275 24.147 ATOM 8274 CA ARG A 547 44.042 -21.575 23.209 ATOM 8275 HA ARG A 547 43.529 -22.315 23.812 ATOM 8276 CB ARG A 547 43.150 -20.338 23.075 -ATOM 8277 HB1 ARG A 547 42.687 -19.997 24.026 +ATOM 8277 HB3 ARG A 547 42.687 -19.997 24.026 ATOM 8278 HB2 ARG A 547 43.669 -19.434 22.691 ATOM 8279 CG ARG A 547 41.964 -20.510 22.130 -ATOM 8280 HG1 ARG A 547 41.332 -19.597 22.077 +ATOM 8280 HG3 ARG A 547 41.332 -19.597 22.077 ATOM 8281 HG2 ARG A 547 42.284 -20.734 21.090 ATOM 8282 CD ARG A 547 41.045 -21.651 22.558 -ATOM 8283 HD1 ARG A 547 41.556 -22.637 22.515 +ATOM 8283 HD3 ARG A 547 41.556 -22.637 22.515 ATOM 8284 HD2 ARG A 547 40.146 -21.728 21.910 ATOM 8285 NE ARG A 547 40.565 -21.485 23.926 ATOM 8286 HE ARG A 547 40.642 -20.580 24.341 @@ -8296,11 +8296,11 @@ ATOM 8293 HH22 ARG A 547 39.720 -21.301 26.278 ATOM 8294 C ARG A 547 44.308 -22.193 21.842 ATOM 8295 O ARG A 547 43.667 -23.181 21.462 ATOM 8296 N LEU A 548 45.255 -21.632 21.091 -ATOM 8297 HN LEU A 548 45.758 -20.846 21.447 +ATOM 8297 H LEU A 548 45.758 -20.846 21.447 ATOM 8298 CA LEU A 548 45.574 -22.139 19.763 ATOM 8299 HA LEU A 548 44.637 -22.465 19.327 ATOM 8300 CB LEU A 548 46.204 -21.034 18.912 -ATOM 8301 HB1 LEU A 548 47.104 -20.538 19.335 +ATOM 8301 HB3 LEU A 548 47.104 -20.538 19.335 ATOM 8302 HB2 LEU A 548 46.562 -21.331 17.903 ATOM 8303 CG LEU A 548 45.312 -19.836 18.585 ATOM 8304 HG LEU A 548 45.088 -19.319 19.511 @@ -8315,11 +8315,11 @@ ATOM 8312 HD23 LEU A 548 44.147 -20.851 17.033 ATOM 8313 C LEU A 548 46.506 -23.342 19.792 ATOM 8314 O LEU A 548 46.460 -24.168 18.873 ATOM 8315 N TRP A 549 47.354 -23.461 20.817 -ATOM 8316 HN TRP A 549 47.371 -22.764 21.532 +ATOM 8316 H TRP A 549 47.371 -22.764 21.532 ATOM 8317 CA TRP A 549 48.255 -24.606 20.895 ATOM 8318 HA TRP A 549 48.613 -24.807 19.892 ATOM 8319 CB TRP A 549 49.448 -24.288 21.801 -ATOM 8320 HB1 TRP A 549 50.050 -23.426 21.443 +ATOM 8320 HB3 TRP A 549 50.050 -23.426 21.443 ATOM 8321 HB2 TRP A 549 49.151 -24.033 22.841 ATOM 8322 CG TRP A 549 50.414 -25.430 21.926 ATOM 8323 CD1 TRP A 549 50.350 -26.467 22.813 @@ -8339,7 +8339,7 @@ ATOM 8336 HH2 TRP A 549 54.821 -27.046 19.542 ATOM 8337 C TRP A 549 47.538 -25.854 21.396 ATOM 8338 O TRP A 549 47.775 -26.954 20.886 ATOM 8339 N ALA A 550 46.653 -25.705 22.386 -ATOM 8340 HN ALA A 550 46.365 -24.784 22.645 +ATOM 8340 H ALA A 550 46.365 -24.784 22.645 ATOM 8341 CA ALA A 550 46.096 -26.845 23.098 ATOM 8342 HA ALA A 550 46.557 -27.711 22.637 ATOM 8343 CB ALA A 550 46.429 -26.750 24.596 @@ -8349,14 +8349,14 @@ ATOM 8346 HB3 ALA A 550 46.003 -25.818 25.026 ATOM 8347 C ALA A 550 44.593 -27.019 22.953 ATOM 8348 O ALA A 550 44.100 -28.123 23.209 ATOM 8349 N GLU A 551 43.859 -25.981 22.550 -ATOM 8350 HN GLU A 551 44.343 -25.156 22.262 +ATOM 8350 H GLU A 551 44.343 -25.156 22.262 ATOM 8351 CA GLU A 551 42.400 -25.961 22.498 ATOM 8352 HA GLU A 551 42.093 -24.922 22.530 ATOM 8353 CB GLU A 551 41.883 -26.566 21.197 -ATOM 8354 HB1 GLU A 551 42.609 -27.234 20.686 +ATOM 8354 HB3 GLU A 551 42.609 -27.234 20.686 ATOM 8355 HB2 GLU A 551 40.971 -27.189 21.316 ATOM 8356 CG GLU A 551 41.506 -25.544 20.144 -ATOM 8357 HG1 GLU A 551 42.247 -24.726 20.020 +ATOM 8357 HG3 GLU A 551 42.247 -24.726 20.020 ATOM 8358 HG2 GLU A 551 41.386 -25.967 19.124 ATOM 8359 CD GLU A 551 40.189 -24.827 20.416 ATOM 8360 OE1 GLU A 551 39.639 -24.229 19.467 @@ -8365,20 +8365,20 @@ ATOM 8362 C GLU A 551 41.785 -26.669 23.707 ATOM 8363 O GLU A 551 41.079 -27.671 23.553 ATOM 8364 N PRO A 552 42.029 -26.178 24.922 ATOM 8365 CD PRO A 552 42.736 -24.938 25.282 -ATOM 8366 HD1 PRO A 552 41.921 -24.184 25.250 +ATOM 8366 HD3 PRO A 552 41.921 -24.184 25.250 ATOM 8367 HD2 PRO A 552 43.496 -24.857 24.476 ATOM 8368 CA PRO A 552 41.556 -26.893 26.108 ATOM 8369 HA PRO A 552 41.812 -27.946 26.089 ATOM 8370 CB PRO A 552 42.215 -26.136 27.271 -ATOM 8371 HB1 PRO A 552 42.643 -26.919 27.933 +ATOM 8371 HB3 PRO A 552 42.643 -26.919 27.933 ATOM 8372 HB2 PRO A 552 41.397 -25.558 27.752 ATOM 8373 CG PRO A 552 43.266 -25.258 26.639 -ATOM 8374 HG1 PRO A 552 44.229 -25.780 26.455 +ATOM 8374 HG3 PRO A 552 44.229 -25.780 26.455 ATOM 8375 HG2 PRO A 552 43.383 -24.274 27.141 ATOM 8376 C PRO A 552 40.041 -26.853 26.217 ATOM 8377 O PRO A 552 39.391 -25.875 25.841 ATOM 8378 N ALA A 553 39.480 -27.949 26.729 -ATOM 8379 HN ALA A 553 40.036 -28.766 26.874 +ATOM 8379 H ALA A 553 40.036 -28.766 26.874 ATOM 8380 CA ALA A 553 38.066 -27.970 27.079 ATOM 8381 HA ALA A 553 37.531 -27.461 26.286 ATOM 8382 CB ALA A 553 37.566 -29.411 27.190 @@ -8388,7 +8388,7 @@ ATOM 8385 HB3 ALA A 553 38.132 -29.958 27.974 ATOM 8386 C ALA A 553 37.792 -27.229 28.378 ATOM 8387 O ALA A 553 36.641 -26.861 28.639 ATOM 8388 N THR A 554 38.822 -27.006 29.190 -ATOM 8389 HN THR A 554 39.714 -27.385 28.950 +ATOM 8389 H THR A 554 39.714 -27.385 28.950 ATOM 8390 CA THR A 554 38.698 -26.232 30.413 ATOM 8391 HA THR A 554 37.755 -26.486 30.883 ATOM 8392 CB THR A 554 39.831 -26.572 31.383 @@ -8402,22 +8402,22 @@ ATOM 8399 HG23 THR A 554 38.682 -28.054 32.491 ATOM 8400 C THR A 554 38.706 -24.738 30.098 ATOM 8401 O THR A 554 39.085 -24.306 29.005 ATOM 8402 N SER A 555 38.275 -23.946 31.077 -ATOM 8403 HN SER A 555 38.029 -24.357 31.954 +ATOM 8403 H SER A 555 38.029 -24.357 31.954 ATOM 8404 CA SER A 555 38.148 -22.507 30.920 ATOM 8405 HA SER A 555 38.150 -22.254 29.866 ATOM 8406 CB SER A 555 36.817 -22.036 31.510 -ATOM 8407 HB1 SER A 555 36.638 -20.959 31.303 +ATOM 8407 HB3 SER A 555 36.638 -20.959 31.303 ATOM 8408 HB2 SER A 555 35.960 -22.602 31.085 ATOM 8409 OG SER A 555 36.782 -22.208 32.915 -ATOM 8410 HG1 SER A 555 35.942 -21.911 33.287 +ATOM 8410 HG SER A 555 35.942 -21.911 33.287 ATOM 8411 C SER A 555 39.343 -21.797 31.559 ATOM 8412 O SER A 555 40.315 -22.425 31.993 ATOM 8413 N TRP A 556 39.269 -20.463 31.623 -ATOM 8414 HN TRP A 556 38.421 -20.003 31.365 +ATOM 8414 H TRP A 556 38.421 -20.003 31.365 ATOM 8415 CA TRP A 556 40.414 -19.671 32.065 ATOM 8416 HA TRP A 556 41.279 -19.995 31.498 ATOM 8417 CB TRP A 556 40.160 -18.186 31.793 -ATOM 8418 HB1 TRP A 556 41.032 -17.527 31.990 +ATOM 8418 HB3 TRP A 556 41.032 -17.527 31.990 ATOM 8419 HB2 TRP A 556 39.876 -17.952 30.744 ATOM 8420 CG TRP A 556 39.053 -17.583 32.614 ATOM 8421 CD1 TRP A 556 37.748 -17.425 32.242 @@ -8437,14 +8437,14 @@ ATOM 8434 HH2 TRP A 556 38.505 -15.448 37.394 ATOM 8435 C TRP A 556 40.731 -19.899 33.537 ATOM 8436 O TRP A 556 41.896 -19.791 33.940 ATOM 8437 N GLN A 557 39.718 -20.219 34.349 -ATOM 8438 HN GLN A 557 38.796 -20.315 33.976 +ATOM 8438 H GLN A 557 38.796 -20.315 33.976 ATOM 8439 CA GLN A 557 39.946 -20.430 35.776 ATOM 8440 HA GLN A 557 40.342 -19.509 36.188 ATOM 8441 CB GLN A 557 38.632 -20.766 36.479 -ATOM 8442 HB1 GLN A 557 38.010 -21.521 35.952 +ATOM 8442 HB3 GLN A 557 38.010 -21.521 35.952 ATOM 8443 HB2 GLN A 557 38.753 -21.181 37.503 ATOM 8444 CG GLN A 557 37.703 -19.584 36.665 -ATOM 8445 HG1 GLN A 557 37.168 -19.617 37.638 +ATOM 8445 HG3 GLN A 557 37.168 -19.617 37.638 ATOM 8446 HG2 GLN A 557 38.244 -18.614 36.635 ATOM 8447 CD GLN A 557 36.639 -19.516 35.592 ATOM 8448 OE1 GLN A 557 36.797 -20.080 34.508 @@ -8454,11 +8454,11 @@ ATOM 8451 HE22 GLN A 557 35.412 -18.376 36.771 ATOM 8452 C GLN A 557 40.971 -21.530 36.020 ATOM 8453 O GLN A 557 41.768 -21.449 36.962 ATOM 8454 N ASP A 558 40.972 -22.562 35.178 -ATOM 8455 HN ASP A 558 40.311 -22.583 34.430 +ATOM 8455 H ASP A 558 40.311 -22.583 34.430 ATOM 8456 CA ASP A 558 41.917 -23.661 35.325 ATOM 8457 HA ASP A 558 42.013 -23.851 36.388 ATOM 8458 CB ASP A 558 41.384 -24.905 34.613 -ATOM 8459 HB1 ASP A 558 41.146 -24.713 33.545 +ATOM 8459 HB3 ASP A 558 41.146 -24.713 33.545 ATOM 8460 HB2 ASP A 558 42.111 -25.745 34.626 ATOM 8461 CG ASP A 558 40.111 -25.433 35.245 ATOM 8462 OD1 ASP A 558 39.985 -25.351 36.485 @@ -8466,7 +8466,7 @@ ATOM 8463 OD2 ASP A 558 39.235 -25.926 34.505 ATOM 8464 C ASP A 558 43.311 -23.325 34.811 ATOM 8465 O ASP A 558 44.252 -24.076 35.090 ATOM 8466 N ALA A 559 43.466 -22.228 34.072 -ATOM 8467 HN ALA A 559 42.654 -21.705 33.816 +ATOM 8467 H ALA A 559 42.654 -21.705 33.816 ATOM 8468 CA ALA A 559 44.767 -21.758 33.621 ATOM 8469 HA ALA A 559 45.466 -22.570 33.783 ATOM 8470 CB ALA A 559 44.710 -21.396 32.133 @@ -8476,14 +8476,14 @@ ATOM 8473 HB3 ALA A 559 43.961 -20.594 31.963 ATOM 8474 C ALA A 559 45.267 -20.559 34.415 ATOM 8475 O ALA A 559 46.377 -20.084 34.157 ATOM 8476 N GLU A 560 44.480 -20.076 35.380 -ATOM 8477 HN GLU A 560 43.679 -20.600 35.664 +ATOM 8477 H GLU A 560 43.679 -20.600 35.664 ATOM 8478 CA GLU A 560 44.764 -18.799 36.029 ATOM 8479 HA GLU A 560 44.773 -18.030 35.265 ATOM 8480 CB GLU A 560 43.674 -18.484 37.054 -ATOM 8481 HB1 GLU A 560 42.660 -18.373 36.614 +ATOM 8481 HB3 GLU A 560 42.660 -18.373 36.614 ATOM 8482 HB2 GLU A 560 43.556 -19.261 37.840 ATOM 8483 CG GLU A 560 43.904 -17.192 37.822 -ATOM 8484 HG1 GLU A 560 44.902 -17.153 38.308 +ATOM 8484 HG3 GLU A 560 44.902 -17.153 38.308 ATOM 8485 HG2 GLU A 560 43.843 -16.291 37.175 ATOM 8486 CD GLU A 560 42.890 -16.980 38.931 ATOM 8487 OE1 GLU A 560 42.986 -15.954 39.637 @@ -8491,11 +8491,11 @@ ATOM 8488 OE2 GLU A 560 41.998 -17.838 39.098 ATOM 8489 C GLU A 560 46.136 -18.795 36.694 ATOM 8490 O GLU A 560 46.930 -17.867 36.497 ATOM 8491 N TYR A 561 46.431 -19.824 37.493 -ATOM 8492 HN TYR A 561 45.788 -20.583 37.583 +ATOM 8492 H TYR A 561 45.788 -20.583 37.583 ATOM 8493 CA TYR A 561 47.688 -19.846 38.236 ATOM 8494 HA TYR A 561 47.742 -18.938 38.826 ATOM 8495 CB TYR A 561 47.731 -21.053 39.177 -ATOM 8496 HB1 TYR A 561 47.641 -22.043 38.680 +ATOM 8496 HB3 TYR A 561 47.641 -22.043 38.680 ATOM 8497 HB2 TYR A 561 48.662 -21.152 39.775 ATOM 8498 CG TYR A 561 46.638 -21.091 40.226 ATOM 8499 CD1 TYR A 561 45.859 -19.969 40.496 @@ -8512,17 +8512,17 @@ ATOM 8509 HE2 TYR A 561 45.223 -23.204 42.478 ATOM 8510 C TYR A 561 48.885 -19.868 37.295 ATOM 8511 O TYR A 561 49.870 -19.152 37.513 ATOM 8512 N ARG A 562 48.820 -20.685 36.242 -ATOM 8513 HN ARG A 562 48.020 -21.270 36.115 +ATOM 8513 H ARG A 562 48.020 -21.270 36.115 ATOM 8514 CA ARG A 562 49.910 -20.728 35.276 ATOM 8515 HA ARG A 562 50.838 -20.848 35.823 ATOM 8516 CB ARG A 562 49.727 -21.919 34.335 -ATOM 8517 HB1 ARG A 562 48.693 -22.022 33.942 +ATOM 8517 HB3 ARG A 562 48.693 -22.022 33.942 ATOM 8518 HB2 ARG A 562 50.375 -21.878 33.433 ATOM 8519 CG ARG A 562 50.037 -23.262 34.982 -ATOM 8520 HG1 ARG A 562 51.060 -23.290 35.415 +ATOM 8520 HG3 ARG A 562 51.060 -23.290 35.415 ATOM 8521 HG2 ARG A 562 49.333 -23.500 35.808 ATOM 8522 CD ARG A 562 49.950 -24.411 33.985 -ATOM 8523 HD1 ARG A 562 50.193 -25.392 34.446 +ATOM 8523 HD3 ARG A 562 50.193 -25.392 34.446 ATOM 8524 HD2 ARG A 562 50.649 -24.285 33.131 ATOM 8525 NE ARG A 562 48.614 -24.548 33.407 ATOM 8526 HE ARG A 562 47.884 -24.896 33.994 @@ -8536,14 +8536,14 @@ ATOM 8533 HH22 ARG A 562 46.360 -24.746 32.332 ATOM 8534 C ARG A 562 50.016 -19.428 34.487 ATOM 8535 O ARG A 562 51.120 -19.035 34.093 ATOM 8536 N MET A 563 48.890 -18.747 34.249 -ATOM 8537 HN MET A 563 48.013 -19.116 34.552 +ATOM 8537 H MET A 563 48.013 -19.116 34.552 ATOM 8538 CA MET A 563 48.936 -17.467 33.548 ATOM 8539 HA MET A 563 49.508 -17.597 32.636 ATOM 8540 CB MET A 563 47.521 -17.019 33.182 -ATOM 8541 HB1 MET A 563 47.063 -17.582 32.341 +ATOM 8541 HB3 MET A 563 47.063 -17.582 32.341 ATOM 8542 HB2 MET A 563 46.780 -17.114 34.005 ATOM 8543 CG MET A 563 47.411 -15.563 32.754 -ATOM 8544 HG1 MET A 563 46.377 -15.267 32.475 +ATOM 8544 HG3 MET A 563 46.377 -15.267 32.475 ATOM 8545 HG2 MET A 563 47.721 -14.850 33.547 ATOM 8546 SD MET A 563 48.432 -15.166 31.320 ATOM 8547 CE MET A 563 47.346 -15.655 29.983 @@ -8553,11 +8553,11 @@ ATOM 8550 HE3 MET A 563 46.406 -15.065 30.036 ATOM 8551 C MET A 563 49.639 -16.406 34.386 ATOM 8552 O MET A 563 50.409 -15.596 33.857 ATOM 8553 N LEU A 564 49.390 -16.399 35.697 -ATOM 8554 HN LEU A 564 48.713 -17.027 36.079 +ATOM 8554 H LEU A 564 48.713 -17.027 36.079 ATOM 8555 CA LEU A 564 50.102 -15.478 36.574 ATOM 8556 HA LEU A 564 49.922 -14.469 36.221 ATOM 8557 CB LEU A 564 49.580 -15.599 38.005 -ATOM 8558 HB1 LEU A 564 49.561 -16.624 38.433 +ATOM 8558 HB3 LEU A 564 49.561 -16.624 38.433 ATOM 8559 HB2 LEU A 564 50.141 -15.034 38.779 ATOM 8560 CG LEU A 564 48.144 -15.126 38.240 ATOM 8561 HG LEU A 564 47.481 -15.736 37.638 @@ -8571,25 +8571,25 @@ ATOM 8568 HD22 LEU A 564 48.187 -13.556 36.719 ATOM 8569 HD23 LEU A 564 48.639 -12.999 38.364 ATOM 8570 C LEU A 564 51.604 -15.725 36.529 ATOM 8571 O LEU A 564 52.399 -14.778 36.579 -ATOM 8572 N HSD A 565 52.017 -16.990 36.417 -ATOM 8573 HN HSD A 565 51.353 -17.735 36.367 -ATOM 8574 CA HSD A 565 53.447 -17.272 36.369 -ATOM 8575 HA HSD A 565 53.904 -16.704 37.171 -ATOM 8576 CB HSD A 565 53.726 -18.755 36.587 -ATOM 8577 HB1 HSD A 565 53.512 -19.087 37.626 -ATOM 8578 HB2 HSD A 565 53.118 -19.410 35.928 -ATOM 8579 ND1 HSD A 565 56.156 -18.891 37.240 -ATOM 8580 HD1 HSD A 565 56.031 -18.484 38.144 -ATOM 8581 CG HSD A 565 55.152 -19.123 36.326 -ATOM 8582 CE1 HSD A 565 57.310 -19.291 36.735 -ATOM 8583 HE1 HSD A 565 58.271 -19.243 37.233 -ATOM 8584 NE2 HSD A 565 57.092 -19.760 35.519 -ATOM 8585 CD2 HSD A 565 55.751 -19.659 35.236 -ATOM 8586 HD2 HSD A 565 55.264 -19.953 34.313 -ATOM 8587 C HSD A 565 54.062 -16.831 35.048 -ATOM 8588 O HSD A 565 55.159 -16.261 35.033 +ATOM 8572 N HID A 565 52.017 -16.990 36.417 +ATOM 8573 H HID A 565 51.353 -17.735 36.367 +ATOM 8574 CA HID A 565 53.447 -17.272 36.369 +ATOM 8575 HA HID A 565 53.904 -16.704 37.171 +ATOM 8576 CB HID A 565 53.726 -18.755 36.587 +ATOM 8577 HB3 HID A 565 53.512 -19.087 37.626 +ATOM 8578 HB2 HID A 565 53.118 -19.410 35.928 +ATOM 8579 ND1 HID A 565 56.156 -18.891 37.240 +ATOM 8580 HD1 HID A 565 56.031 -18.484 38.144 +ATOM 8581 CG HID A 565 55.152 -19.123 36.326 +ATOM 8582 CE1 HID A 565 57.310 -19.291 36.735 +ATOM 8583 HE1 HID A 565 58.271 -19.243 37.233 +ATOM 8584 NE2 HID A 565 57.092 -19.760 35.519 +ATOM 8585 CD2 HID A 565 55.751 -19.659 35.236 +ATOM 8586 HD2 HID A 565 55.264 -19.953 34.313 +ATOM 8587 C HID A 565 54.062 -16.831 35.048 +ATOM 8588 O HID A 565 55.159 -16.261 35.033 ATOM 8589 N ILE A 566 53.390 -17.108 33.926 -ATOM 8590 HN ILE A 566 52.498 -17.555 33.971 +ATOM 8590 H ILE A 566 52.498 -17.555 33.971 ATOM 8591 CA ILE A 566 53.971 -16.752 32.633 ATOM 8592 HA ILE A 566 54.968 -17.173 32.573 ATOM 8593 CB ILE A 566 53.155 -17.362 31.472 @@ -8599,26 +8599,26 @@ ATOM 8596 HG21 ILE A 566 51.244 -17.079 30.440 ATOM 8597 HG22 ILE A 566 51.981 -15.564 31.041 ATOM 8598 HG23 ILE A 566 51.195 -16.692 32.185 ATOM 8599 CG1 ILE A 566 53.969 -17.336 30.176 -ATOM 8600 HG11 ILE A 566 53.447 -17.794 29.309 +ATOM 8600 HG13 ILE A 566 53.447 -17.794 29.309 ATOM 8601 HG12 ILE A 566 54.239 -16.313 29.836 ATOM 8602 CD1 ILE A 566 55.290 -18.075 30.267 -ATOM 8603 HD1 ILE A 566 55.881 -18.056 29.326 -ATOM 8604 HD2 ILE A 566 55.185 -19.153 30.514 -ATOM 8605 HD3 ILE A 566 55.977 -17.672 31.041 +ATOM 8603 HD11 ILE A 566 55.881 -18.056 29.326 +ATOM 8604 HD12 ILE A 566 55.185 -19.153 30.514 +ATOM 8605 HD13 ILE A 566 55.977 -17.672 31.041 ATOM 8606 C ILE A 566 54.104 -15.241 32.507 ATOM 8607 O ILE A 566 55.015 -14.746 31.833 ATOM 8608 N ARG A 567 53.221 -14.485 33.167 -ATOM 8609 HN ARG A 567 52.444 -14.915 33.625 +ATOM 8609 H ARG A 567 52.444 -14.915 33.625 ATOM 8610 CA ARG A 567 53.384 -13.037 33.223 ATOM 8611 HA ARG A 567 53.401 -12.654 32.209 ATOM 8612 CB ARG A 567 52.208 -12.400 33.968 -ATOM 8613 HB1 ARG A 567 51.209 -12.736 33.616 +ATOM 8613 HB3 ARG A 567 51.209 -12.736 33.616 ATOM 8614 HB2 ARG A 567 52.196 -12.603 35.060 ATOM 8615 CG ARG A 567 52.152 -10.875 33.866 -ATOM 8616 HG1 ARG A 567 52.601 -10.492 32.925 +ATOM 8616 HG3 ARG A 567 52.601 -10.492 32.925 ATOM 8617 HG2 ARG A 567 51.113 -10.481 33.894 ATOM 8618 CD ARG A 567 52.900 -10.179 35.006 -ATOM 8619 HD1 ARG A 567 53.948 -10.536 35.094 +ATOM 8619 HD3 ARG A 567 53.948 -10.536 35.094 ATOM 8620 HD2 ARG A 567 52.416 -10.356 35.990 ATOM 8621 NE ARG A 567 52.960 -8.730 34.817 ATOM 8622 HE ARG A 567 52.530 -8.348 34.001 @@ -8632,14 +8632,14 @@ ATOM 8629 HH22 ARG A 567 53.111 -6.246 34.575 ATOM 8630 C ARG A 567 54.701 -12.670 33.892 ATOM 8631 O ARG A 567 55.452 -11.824 33.393 ATOM 8632 N GLU A 568 54.993 -13.301 35.032 -ATOM 8633 HN GLU A 568 54.343 -13.955 35.416 +ATOM 8633 H GLU A 568 54.343 -13.955 35.416 ATOM 8634 CA GLU A 568 56.251 -13.044 35.722 ATOM 8635 HA GLU A 568 56.322 -11.980 35.917 ATOM 8636 CB GLU A 568 56.279 -13.795 37.053 -ATOM 8637 HB1 GLU A 568 56.091 -14.886 36.962 +ATOM 8637 HB3 GLU A 568 56.091 -14.886 36.962 ATOM 8638 HB2 GLU A 568 57.247 -13.724 37.594 ATOM 8639 CG GLU A 568 55.245 -13.314 38.059 -ATOM 8640 HG1 GLU A 568 54.205 -13.544 37.742 +ATOM 8640 HG3 GLU A 568 54.205 -13.544 37.742 ATOM 8641 HG2 GLU A 568 55.377 -13.780 39.059 ATOM 8642 CD GLU A 568 55.302 -11.812 38.277 ATOM 8643 OE1 GLU A 568 56.405 -11.284 38.543 @@ -8647,17 +8647,17 @@ ATOM 8644 OE2 GLU A 568 54.240 -11.159 38.175 ATOM 8645 C GLU A 568 57.444 -13.432 34.859 ATOM 8646 O GLU A 568 58.485 -12.765 34.892 ATOM 8647 N ARG A 569 57.312 -14.508 34.079 -ATOM 8648 HN ARG A 569 56.466 -15.039 34.103 +ATOM 8648 H ARG A 569 56.466 -15.039 34.103 ATOM 8649 CA ARG A 569 58.399 -14.912 33.192 ATOM 8650 HA ARG A 569 59.305 -14.988 33.782 ATOM 8651 CB ARG A 569 58.098 -16.276 32.574 -ATOM 8652 HB1 ARG A 569 57.773 -17.042 33.310 +ATOM 8652 HB3 ARG A 569 57.773 -17.042 33.310 ATOM 8653 HB2 ARG A 569 57.290 -16.257 31.812 ATOM 8654 CG ARG A 569 59.287 -16.907 31.860 -ATOM 8655 HG1 ARG A 569 59.524 -16.372 30.916 +ATOM 8655 HG3 ARG A 569 59.524 -16.372 30.916 ATOM 8656 HG2 ARG A 569 60.199 -16.885 32.494 ATOM 8657 CD ARG A 569 59.014 -18.361 31.504 -ATOM 8658 HD1 ARG A 569 58.062 -18.476 30.943 +ATOM 8658 HD3 ARG A 569 58.062 -18.476 30.943 ATOM 8659 HD2 ARG A 569 58.938 -19.000 32.410 ATOM 8660 NE ARG A 569 60.074 -18.923 30.671 ATOM 8661 HE ARG A 569 59.956 -18.892 29.680 @@ -8671,11 +8671,11 @@ ATOM 8668 HH22 ARG A 569 61.948 -19.906 29.329 ATOM 8669 C ARG A 569 58.639 -13.872 32.104 ATOM 8670 O ARG A 569 59.792 -13.577 31.766 ATOM 8671 N PHE A 570 57.564 -13.310 31.542 -ATOM 8672 HN PHE A 570 56.652 -13.634 31.789 +ATOM 8672 H PHE A 570 56.652 -13.634 31.789 ATOM 8673 CA PHE A 570 57.707 -12.228 30.572 ATOM 8674 HA PHE A 570 58.271 -12.604 29.726 ATOM 8675 CB PHE A 570 56.331 -11.766 30.087 -ATOM 8676 HB1 PHE A 570 55.572 -11.681 30.894 +ATOM 8676 HB3 PHE A 570 55.572 -11.681 30.894 ATOM 8677 HB2 PHE A 570 56.334 -10.767 29.601 ATOM 8678 CG PHE A 570 55.702 -12.677 29.072 ATOM 8679 CD1 PHE A 570 56.430 -13.151 27.993 @@ -8691,7 +8691,7 @@ ATOM 8688 HE2 PHE A 570 52.737 -14.162 28.372 ATOM 8689 C PHE A 570 58.473 -11.056 31.173 ATOM 8690 O PHE A 570 59.383 -10.502 30.544 ATOM 8691 N VAL A 571 58.117 -10.667 32.399 -ATOM 8692 HN VAL A 571 57.382 -11.148 32.875 +ATOM 8692 H VAL A 571 57.382 -11.148 32.875 ATOM 8693 CA VAL A 571 58.787 -9.547 33.055 ATOM 8694 HA VAL A 571 58.725 -8.674 32.415 ATOM 8695 CB VAL A 571 58.081 -9.209 34.382 @@ -8707,17 +8707,17 @@ ATOM 8704 HG23 VAL A 571 56.075 -9.390 33.564 ATOM 8705 C VAL A 571 60.265 -9.854 33.264 ATOM 8706 O VAL A 571 61.127 -8.988 33.068 ATOM 8707 N ARG A 572 60.584 -11.090 33.660 -ATOM 8708 HN ARG A 572 59.860 -11.748 33.861 +ATOM 8708 H ARG A 572 59.860 -11.748 33.861 ATOM 8709 CA ARG A 572 61.982 -11.487 33.801 ATOM 8710 HA ARG A 572 62.465 -10.798 34.484 ATOM 8711 CB ARG A 572 62.065 -12.902 34.379 -ATOM 8712 HB1 ARG A 572 61.765 -12.999 35.444 +ATOM 8712 HB3 ARG A 572 61.765 -12.999 35.444 ATOM 8713 HB2 ARG A 572 61.432 -13.661 33.871 ATOM 8714 CG ARG A 572 63.449 -13.536 34.353 -ATOM 8715 HG1 ARG A 572 63.440 -14.582 34.728 +ATOM 8715 HG3 ARG A 572 63.440 -14.582 34.728 ATOM 8716 HG2 ARG A 572 63.877 -13.571 33.328 ATOM 8717 CD ARG A 572 64.447 -12.776 35.213 -ATOM 8718 HD1 ARG A 572 64.120 -12.753 36.274 +ATOM 8718 HD3 ARG A 572 64.120 -12.753 36.274 ATOM 8719 HD2 ARG A 572 64.553 -11.727 34.864 ATOM 8720 NE ARG A 572 65.763 -13.403 35.161 ATOM 8721 HE ARG A 572 65.984 -14.086 35.856 @@ -8731,14 +8731,14 @@ ATOM 8728 HH22 ARG A 572 68.040 -14.427 34.983 ATOM 8729 C ARG A 572 62.720 -11.403 32.471 ATOM 8730 O ARG A 572 63.922 -11.115 32.441 ATOM 8731 N MET A 573 62.014 -11.630 31.362 -ATOM 8732 HN MET A 573 61.059 -11.911 31.441 +ATOM 8732 H MET A 573 61.059 -11.911 31.441 ATOM 8733 CA MET A 573 62.604 -11.477 30.038 ATOM 8734 HA MET A 573 63.550 -12.006 30.068 ATOM 8735 CB MET A 573 61.687 -12.077 28.969 -ATOM 8736 HB1 MET A 573 60.621 -11.771 29.034 +ATOM 8736 HB3 MET A 573 60.621 -11.771 29.034 ATOM 8737 HB2 MET A 573 61.958 -11.830 27.920 ATOM 8738 CG MET A 573 61.612 -13.591 28.959 -ATOM 8739 HG1 MET A 573 62.583 -14.055 28.682 +ATOM 8739 HG3 MET A 573 62.583 -14.055 28.682 ATOM 8740 HG2 MET A 573 61.332 -14.001 29.953 ATOM 8741 SD MET A 573 60.388 -14.201 27.780 ATOM 8742 CE MET A 573 61.080 -13.623 26.229 @@ -8748,14 +8748,14 @@ ATOM 8745 HE3 MET A 573 62.089 -14.065 26.087 ATOM 8746 C MET A 573 62.888 -10.025 29.679 ATOM 8747 O MET A 573 63.585 -9.780 28.689 ATOM 8748 N GLY A 574 62.374 -9.064 30.444 -ATOM 8749 HN GLY A 574 61.916 -9.314 31.296 +ATOM 8749 H GLY A 574 61.916 -9.314 31.296 ATOM 8750 CA GLY A 574 62.460 -7.667 30.076 -ATOM 8751 HA1 GLY A 574 62.620 -6.974 30.930 +ATOM 8751 HA3 GLY A 574 62.620 -6.974 30.930 ATOM 8752 HA2 GLY A 574 63.287 -7.425 29.375 ATOM 8753 C GLY A 574 61.228 -7.122 29.389 ATOM 8754 O GLY A 574 61.240 -5.961 28.961 ATOM 8755 N ILE A 575 60.174 -7.923 29.261 -ATOM 8756 HN ILE A 575 60.247 -8.872 29.564 +ATOM 8756 H ILE A 575 60.247 -8.872 29.564 ATOM 8757 CA ILE A 575 58.915 -7.457 28.692 ATOM 8758 HA ILE A 575 59.114 -6.815 27.842 ATOM 8759 CB ILE A 575 58.076 -8.642 28.186 @@ -8765,23 +8765,23 @@ ATOM 8762 HG21 ILE A 575 56.197 -9.000 27.145 ATOM 8763 HG22 ILE A 575 57.051 -7.494 26.645 ATOM 8764 HG23 ILE A 575 56.188 -7.558 28.227 ATOM 8765 CG1 ILE A 575 58.897 -9.526 27.245 -ATOM 8766 HG11 ILE A 575 59.945 -9.688 27.577 +ATOM 8766 HG13 ILE A 575 59.945 -9.688 27.577 ATOM 8767 HG12 ILE A 575 58.485 -10.549 27.111 ATOM 8768 CD1 ILE A 575 59.022 -8.982 25.847 -ATOM 8769 HD1 ILE A 575 59.618 -9.624 25.164 -ATOM 8770 HD2 ILE A 575 59.510 -7.986 25.792 -ATOM 8771 HD3 ILE A 575 58.050 -8.846 25.326 +ATOM 8769 HD11 ILE A 575 59.618 -9.624 25.164 +ATOM 8770 HD12 ILE A 575 59.510 -7.986 25.792 +ATOM 8771 HD13 ILE A 575 58.050 -8.846 25.326 ATOM 8772 C ILE A 575 58.161 -6.671 29.754 ATOM 8773 O ILE A 575 57.975 -7.146 30.880 ATOM 8774 N GLN A 576 57.726 -5.461 29.402 -ATOM 8775 HN GLN A 576 57.975 -5.098 28.505 +ATOM 8775 H GLN A 576 57.975 -5.098 28.505 ATOM 8776 CA GLN A 576 56.894 -4.649 30.291 ATOM 8777 HA GLN A 576 57.237 -4.760 31.313 ATOM 8778 CB GLN A 576 57.010 -3.172 29.940 -ATOM 8779 HB1 GLN A 576 56.522 -2.887 28.984 +ATOM 8779 HB3 GLN A 576 56.522 -2.887 28.984 ATOM 8780 HB2 GLN A 576 56.560 -2.485 30.688 ATOM 8781 CG GLN A 576 58.437 -2.671 29.790 -ATOM 8782 HG1 GLN A 576 58.987 -3.176 28.967 +ATOM 8782 HG3 GLN A 576 58.987 -3.176 28.967 ATOM 8783 HG2 GLN A 576 58.491 -1.583 29.570 ATOM 8784 CD GLN A 576 59.269 -2.884 31.039 ATOM 8785 OE1 GLN A 576 60.168 -3.725 31.062 @@ -8791,7 +8791,7 @@ ATOM 8788 HE22 GLN A 576 58.245 -1.441 32.068 ATOM 8789 C GLN A 576 55.446 -5.135 30.199 ATOM 8790 O GLN A 576 54.540 -4.441 29.732 ATOM 8791 N ALA A 577 55.238 -6.363 30.663 -ATOM 8792 HN ALA A 577 55.988 -6.860 31.096 +ATOM 8792 H ALA A 577 55.988 -6.860 31.096 ATOM 8793 CA ALA A 577 53.931 -6.992 30.548 ATOM 8794 HA ALA A 577 53.587 -6.862 29.528 ATOM 8795 CB ALA A 577 54.027 -8.488 30.853 @@ -8801,14 +8801,14 @@ ATOM 8798 HB3 ALA A 577 54.405 -8.652 31.885 ATOM 8799 C ALA A 577 52.927 -6.335 31.486 ATOM 8800 O ALA A 577 53.278 -5.832 32.558 ATOM 8801 N GLU A 578 51.664 -6.335 31.062 -ATOM 8802 HN GLU A 578 51.453 -6.674 30.146 +ATOM 8802 H GLU A 578 51.453 -6.674 30.146 ATOM 8803 CA GLU A 578 50.587 -5.849 31.910 ATOM 8804 HA GLU A 578 50.776 -4.805 32.135 ATOM 8805 CB GLU A 578 49.243 -5.964 31.188 -ATOM 8806 HB1 GLU A 578 49.212 -6.738 30.392 +ATOM 8806 HB3 GLU A 578 49.212 -6.738 30.392 ATOM 8807 HB2 GLU A 578 48.386 -6.222 31.847 ATOM 8808 CG GLU A 578 48.795 -4.695 30.483 -ATOM 8809 HG1 GLU A 578 49.543 -4.327 29.749 +ATOM 8809 HG3 GLU A 578 49.543 -4.327 29.749 ATOM 8810 HG2 GLU A 578 47.848 -4.832 29.918 ATOM 8811 CD GLU A 578 48.550 -3.550 31.444 ATOM 8812 OE1 GLU A 578 48.812 -2.390 31.059 @@ -8816,22 +8816,22 @@ ATOM 8813 OE2 GLU A 578 48.098 -3.809 32.581 ATOM 8814 C GLU A 578 50.542 -6.636 33.213 ATOM 8815 O GLU A 578 50.931 -7.805 33.275 ATOM 8816 N SER A 579 50.071 -5.976 34.267 -ATOM 8817 HN SER A 579 49.849 -5.007 34.172 +ATOM 8817 H SER A 579 49.849 -5.007 34.172 ATOM 8818 CA SER A 579 49.869 -6.624 35.554 ATOM 8819 HA SER A 579 50.546 -7.466 35.644 ATOM 8820 CB SER A 579 50.176 -5.659 36.700 -ATOM 8821 HB1 SER A 579 51.245 -5.356 36.698 +ATOM 8821 HB3 SER A 579 51.245 -5.356 36.698 ATOM 8822 HB2 SER A 579 49.565 -4.734 36.624 ATOM 8823 OG SER A 579 49.902 -6.250 37.959 -ATOM 8824 HG1 SER A 579 50.096 -5.641 38.683 +ATOM 8824 HG SER A 579 50.096 -5.641 38.683 ATOM 8825 C SER A 579 48.431 -7.118 35.638 ATOM 8826 O SER A 579 47.495 -6.380 35.314 ATOM 8827 N LEU A 580 48.261 -8.367 36.065 -ATOM 8828 HN LEU A 580 49.058 -8.888 36.368 +ATOM 8828 H LEU A 580 49.058 -8.888 36.368 ATOM 8829 CA LEU A 580 46.947 -8.997 36.104 ATOM 8830 HA LEU A 580 46.314 -8.413 35.446 ATOM 8831 CB LEU A 580 47.038 -10.447 35.617 -ATOM 8832 HB1 LEU A 580 47.725 -11.119 36.174 +ATOM 8832 HB3 LEU A 580 47.725 -11.119 36.174 ATOM 8833 HB2 LEU A 580 46.097 -11.038 35.629 ATOM 8834 CG LEU A 580 47.509 -10.660 34.179 ATOM 8835 HG LEU A 580 48.524 -10.290 34.088 @@ -8846,14 +8846,14 @@ ATOM 8843 HD23 LEU A 580 45.576 -10.218 33.290 ATOM 8844 C LEU A 580 46.311 -8.976 37.485 ATOM 8845 O LEU A 580 45.110 -8.718 37.602 ATOM 8846 N GLN A 581 47.084 -9.246 38.531 -ATOM 8847 HN GLN A 581 48.065 -9.361 38.383 +ATOM 8847 H GLN A 581 48.065 -9.361 38.383 ATOM 8848 CA GLN A 581 46.564 -9.382 39.883 ATOM 8849 HA GLN A 581 45.669 -8.779 39.984 ATOM 8850 CB GLN A 581 46.174 -10.837 40.189 -ATOM 8851 HB1 GLN A 581 46.994 -11.578 40.075 +ATOM 8851 HB3 GLN A 581 46.994 -11.578 40.075 ATOM 8852 HB2 GLN A 581 45.806 -11.019 41.221 ATOM 8853 CG GLN A 581 45.066 -11.404 39.317 -ATOM 8854 HG1 GLN A 581 44.127 -10.814 39.388 +ATOM 8854 HG3 GLN A 581 44.127 -10.814 39.388 ATOM 8855 HG2 GLN A 581 45.343 -11.425 38.241 ATOM 8856 CD GLN A 581 44.706 -12.825 39.693 ATOM 8857 OE1 GLN A 581 44.996 -13.276 40.801 @@ -8864,27 +8864,27 @@ ATOM 8861 C GLN A 581 47.634 -8.914 40.853 ATOM 8862 O GLN A 581 48.809 -8.814 40.482 ATOM 8863 N PRO A 582 47.264 -8.605 42.097 ATOM 8864 CD PRO A 582 45.904 -8.395 42.623 -ATOM 8865 HD1 PRO A 582 45.485 -9.423 42.669 +ATOM 8865 HD3 PRO A 582 45.485 -9.423 42.669 ATOM 8866 HD2 PRO A 582 45.435 -7.733 41.864 ATOM 8867 CA PRO A 582 48.288 -8.395 43.124 ATOM 8868 HA PRO A 582 48.940 -7.553 42.925 ATOM 8869 CB PRO A 582 47.475 -8.205 44.409 -ATOM 8870 HB1 PRO A 582 48.029 -7.439 44.992 +ATOM 8870 HB3 PRO A 582 48.029 -7.439 44.992 ATOM 8871 HB2 PRO A 582 47.461 -9.205 44.894 ATOM 8872 CG PRO A 582 46.144 -7.752 43.959 -ATOM 8873 HG1 PRO A 582 46.107 -6.654 43.792 +ATOM 8873 HG3 PRO A 582 46.107 -6.654 43.792 ATOM 8874 HG2 PRO A 582 45.331 -8.104 44.629 ATOM 8875 C PRO A 582 49.187 -9.617 43.211 ATOM 8876 O PRO A 582 48.719 -10.756 43.147 ATOM 8877 N GLU A 583 50.494 -9.377 43.342 -ATOM 8878 HN GLU A 583 50.838 -8.440 43.304 +ATOM 8878 H GLU A 583 50.838 -8.440 43.304 ATOM 8879 CA GLU A 583 51.417 -10.488 43.540 ATOM 8880 HA GLU A 583 51.338 -11.139 42.677 ATOM 8881 CB GLU A 583 52.857 -9.978 43.645 -ATOM 8882 HB1 GLU A 583 53.183 -9.387 42.763 +ATOM 8882 HB3 GLU A 583 53.183 -9.387 42.763 ATOM 8883 HB2 GLU A 583 53.029 -9.314 44.519 ATOM 8884 CG GLU A 583 53.888 -11.092 43.781 -ATOM 8885 HG1 GLU A 583 53.947 -11.515 44.807 +ATOM 8885 HG3 GLU A 583 53.947 -11.515 44.807 ATOM 8886 HG2 GLU A 583 53.689 -11.960 43.117 ATOM 8887 CD GLU A 583 55.296 -10.650 43.450 ATOM 8888 OE1 GLU A 583 55.554 -9.428 43.437 @@ -8892,11 +8892,11 @@ ATOM 8889 OE2 GLU A 583 56.148 -11.531 43.204 ATOM 8890 C GLU A 583 51.053 -11.302 44.774 ATOM 8891 O GLU A 583 51.394 -12.489 44.848 ATOM 8892 N TRP A 584 50.353 -10.691 45.734 -ATOM 8893 HN TRP A 584 50.164 -9.713 45.661 +ATOM 8893 H TRP A 584 50.164 -9.713 45.661 ATOM 8894 CA TRP A 584 49.862 -11.435 46.886 ATOM 8895 HA TRP A 584 50.718 -11.830 47.421 ATOM 8896 CB TRP A 584 49.079 -10.509 47.814 -ATOM 8897 HB1 TRP A 584 49.648 -9.593 48.083 +ATOM 8897 HB3 TRP A 584 49.648 -9.593 48.083 ATOM 8898 HB2 TRP A 584 48.125 -10.159 47.364 ATOM 8899 CG TRP A 584 48.714 -11.163 49.101 ATOM 8900 CD1 TRP A 584 49.446 -11.172 50.255 @@ -8916,21 +8916,21 @@ ATOM 8913 HH2 TRP A 584 44.749 -14.079 50.959 ATOM 8914 C TRP A 584 48.997 -12.616 46.458 ATOM 8915 O TRP A 584 49.088 -13.703 47.041 ATOM 8916 N CYX A 585 48.146 -12.421 45.445 -ATOM 8917 HN CYX A 585 48.072 -11.517 45.027 +ATOM 8917 H CYX A 585 48.072 -11.517 45.027 ATOM 8918 CA CYX A 585 47.323 -13.519 44.944 ATOM 8919 HA CYX A 585 46.745 -13.913 45.772 ATOM 8920 CB CYX A 585 46.364 -13.010 43.866 -ATOM 8921 HB1 CYX A 585 46.849 -12.562 42.973 +ATOM 8921 HB3 CYX A 585 46.849 -12.562 42.973 ATOM 8922 HB2 CYX A 585 45.691 -13.778 43.429 ATOM 8923 SG CYX A 585 45.214 -11.714 44.402 ATOM 8924 C CYX A 585 48.188 -14.648 44.396 ATOM 8925 O CYX A 585 47.891 -15.830 44.611 ATOM 8926 N TYR A 586 49.262 -14.297 43.684 -ATOM 8927 HN TYR A 586 49.442 -13.328 43.522 +ATOM 8927 H TYR A 586 49.442 -13.328 43.522 ATOM 8928 CA TYR A 586 50.181 -15.292 43.136 ATOM 8929 HA TYR A 586 49.629 -15.986 42.513 ATOM 8930 CB TYR A 586 51.234 -14.574 42.287 -ATOM 8931 HB1 TYR A 586 50.868 -14.021 41.396 +ATOM 8931 HB3 TYR A 586 50.868 -14.021 41.396 ATOM 8932 HB2 TYR A 586 51.838 -13.791 42.793 ATOM 8933 CG TYR A 586 52.321 -15.433 41.674 ATOM 8934 CD1 TYR A 586 52.045 -16.307 40.629 @@ -8947,14 +8947,14 @@ ATOM 8944 HE2 TYR A 586 55.657 -16.020 41.917 ATOM 8945 C TYR A 586 50.829 -16.118 44.243 ATOM 8946 O TYR A 586 51.053 -17.323 44.080 ATOM 8947 N GLN A 587 51.127 -15.489 45.381 -ATOM 8948 HN GLN A 587 50.934 -14.512 45.454 +ATOM 8948 H GLN A 587 50.934 -14.512 45.454 ATOM 8949 CA GLN A 587 51.723 -16.172 46.521 ATOM 8950 HA GLN A 587 52.343 -16.961 46.111 ATOM 8951 CB GLN A 587 52.566 -15.191 47.344 -ATOM 8952 HB1 GLN A 587 51.993 -14.342 47.774 +ATOM 8952 HB3 GLN A 587 51.993 -14.342 47.774 ATOM 8953 HB2 GLN A 587 53.075 -15.646 48.221 ATOM 8954 CG GLN A 587 53.687 -14.526 46.570 -ATOM 8955 HG1 GLN A 587 54.320 -15.259 46.027 +ATOM 8955 HG3 GLN A 587 54.320 -15.259 46.027 ATOM 8956 HG2 GLN A 587 53.310 -13.812 45.807 ATOM 8957 CD GLN A 587 54.619 -13.739 47.465 ATOM 8958 OE1 GLN A 587 54.379 -13.604 48.665 @@ -8964,11 +8964,11 @@ ATOM 8961 HE22 GLN A 587 55.890 -13.327 45.913 ATOM 8962 C GLN A 587 50.694 -16.823 47.434 ATOM 8963 O GLN A 587 51.080 -17.558 48.350 ATOM 8964 N ASN A 588 49.403 -16.576 47.214 -ATOM 8965 HN ASN A 588 49.148 -16.036 46.413 +ATOM 8965 H ASN A 588 49.148 -16.036 46.413 ATOM 8966 CA ASN A 588 48.349 -17.062 48.095 ATOM 8967 HA ASN A 588 48.730 -17.876 48.701 ATOM 8968 CB ASN A 588 47.898 -15.956 49.047 -ATOM 8969 HB1 ASN A 588 47.617 -15.023 48.514 +ATOM 8969 HB3 ASN A 588 47.617 -15.023 48.514 ATOM 8970 HB2 ASN A 588 47.011 -16.247 49.649 ATOM 8971 CG ASN A 588 48.976 -15.568 50.041 ATOM 8972 OD1 ASN A 588 49.096 -16.170 51.108 @@ -8978,14 +8978,14 @@ ATOM 8975 HD22 ASN A 588 49.680 -14.077 48.823 ATOM 8976 C ASN A 588 47.185 -17.592 47.256 ATOM 8977 O ASN A 588 46.063 -17.096 47.315 ATOM 8978 N GLU A 589 47.466 -18.626 46.462 -ATOM 8979 HN GLU A 589 48.384 -19.020 46.484 +ATOM 8979 H GLU A 589 48.384 -19.020 46.484 ATOM 8980 CA GLU A 589 46.470 -19.198 45.563 ATOM 8981 HA GLU A 589 46.193 -18.440 44.840 ATOM 8982 CB GLU A 589 47.057 -20.405 44.829 -ATOM 8983 HB1 GLU A 589 47.569 -21.138 45.488 +ATOM 8983 HB3 GLU A 589 47.569 -21.138 45.488 ATOM 8984 HB2 GLU A 589 46.310 -21.013 44.276 ATOM 8985 CG GLU A 589 48.102 -20.055 43.780 -ATOM 8986 HG1 GLU A 589 47.660 -19.580 42.878 +ATOM 8986 HG3 GLU A 589 47.660 -19.580 42.878 ATOM 8987 HG2 GLU A 589 48.867 -19.344 44.160 ATOM 8988 CD GLU A 589 48.864 -21.272 43.286 ATOM 8989 OE1 GLU A 589 48.706 -22.357 43.886 @@ -8993,18 +8993,18 @@ ATOM 8990 OE2 GLU A 589 49.624 -21.143 42.303 ATOM 8991 C GLU A 589 45.216 -19.610 46.325 ATOM 8992 O GLU A 589 45.289 -20.194 47.409 ATOM 8993 N GLY A 590 44.059 -19.284 45.752 -ATOM 8994 HN GLY A 590 44.077 -18.778 44.891 +ATOM 8994 H GLY A 590 44.077 -18.778 44.891 ATOM 8995 CA GLY A 590 42.780 -19.631 46.322 -ATOM 8996 HA1 GLY A 590 42.013 -19.958 45.588 +ATOM 8996 HA3 GLY A 590 42.013 -19.958 45.588 ATOM 8997 HA2 GLY A 590 42.806 -20.463 47.058 ATOM 8998 C GLY A 590 42.092 -18.511 47.077 ATOM 8999 O GLY A 590 40.875 -18.585 47.287 ATOM 9000 N TYR A 591 42.827 -17.479 47.490 -ATOM 9001 HN TYR A 591 43.798 -17.443 47.258 +ATOM 9001 H TYR A 591 43.798 -17.443 47.258 ATOM 9002 CA TYR A 591 42.238 -16.402 48.275 ATOM 9003 HA TYR A 591 41.395 -16.833 48.802 ATOM 9004 CB TYR A 591 43.264 -15.853 49.273 -ATOM 9005 HB1 TYR A 591 44.278 -15.722 48.837 +ATOM 9005 HB3 TYR A 591 44.278 -15.722 48.837 ATOM 9006 HB2 TYR A 591 42.992 -14.857 49.683 ATOM 9007 CG TYR A 591 43.462 -16.742 50.483 ATOM 9008 CD1 TYR A 591 42.559 -16.723 51.538 @@ -9021,21 +9021,21 @@ ATOM 9018 HE2 TYR A 591 45.584 -19.090 51.718 ATOM 9019 C TYR A 591 41.695 -15.263 47.421 ATOM 9020 O TYR A 591 40.920 -14.445 47.929 ATOM 9021 N CYX A 592 42.076 -15.193 46.148 -ATOM 9022 HN CYX A 592 42.735 -15.865 45.813 +ATOM 9022 H CYX A 592 42.735 -15.865 45.813 ATOM 9023 CA CYX A 592 41.579 -14.183 45.215 ATOM 9024 HA CYX A 592 41.018 -13.424 45.748 ATOM 9025 CB CYX A 592 42.731 -13.460 44.522 -ATOM 9026 HB1 CYX A 592 43.363 -14.105 43.874 +ATOM 9026 HB3 CYX A 592 43.363 -14.105 43.874 ATOM 9027 HB2 CYX A 592 42.423 -12.632 43.848 ATOM 9028 SG CYX A 592 43.921 -12.681 45.642 ATOM 9029 C CYX A 592 40.674 -14.886 44.207 ATOM 9030 O CYX A 592 41.156 -15.551 43.286 ATOM 9031 N TYR A 593 39.362 -14.730 44.379 -ATOM 9032 HN TYR A 593 39.037 -14.124 45.103 +ATOM 9032 H TYR A 593 39.037 -14.124 45.103 ATOM 9033 CA TYR A 593 38.389 -15.417 43.542 ATOM 9034 HA TYR A 593 38.803 -15.517 42.545 ATOM 9035 CB TYR A 593 38.093 -16.823 44.077 -ATOM 9036 HB1 TYR A 593 37.419 -17.402 43.410 +ATOM 9036 HB3 TYR A 593 37.419 -17.402 43.410 ATOM 9037 HB2 TYR A 593 39.011 -17.438 44.197 ATOM 9038 CG TYR A 593 37.424 -16.802 45.431 ATOM 9039 CD1 TYR A 593 36.039 -16.764 45.546 @@ -9052,14 +9052,14 @@ ATOM 9049 HE2 TYR A 593 38.179 -16.774 48.734 ATOM 9050 C TYR A 593 37.104 -14.604 43.491 ATOM 9051 O TYR A 593 36.861 -13.735 44.332 ATOM 9052 N SER A 594 36.271 -14.917 42.501 -ATOM 9053 HN SER A 594 36.576 -15.558 41.798 +ATOM 9053 H SER A 594 36.576 -15.558 41.798 ATOM 9054 CA SER A 594 34.925 -14.354 42.409 ATOM 9055 HA SER A 594 34.479 -14.407 43.396 ATOM 9056 CB SER A 594 34.965 -12.888 41.978 -ATOM 9057 HB1 SER A 594 35.628 -12.300 42.649 +ATOM 9057 HB3 SER A 594 35.628 -12.300 42.649 ATOM 9058 HB2 SER A 594 35.350 -12.795 40.940 ATOM 9059 OG SER A 594 33.668 -12.318 42.024 -ATOM 9060 HG1 SER A 594 33.693 -11.392 41.752 +ATOM 9060 HG SER A 594 33.693 -11.392 41.752 ATOM 9061 C SER A 594 34.074 -15.158 41.434 ATOM 9062 O SER A 594 33.392 -16.103 41.826 END