diff --git a/unidock_tools/pyproject.toml b/unidock_tools/pyproject.toml index 8b821bd..2cd7751 100644 --- a/unidock_tools/pyproject.toml +++ b/unidock_tools/pyproject.toml @@ -30,7 +30,8 @@ classifiers = [ ] [tool.setuptools.package-data] -"*" = ["*.dat"] +"*" = ["*/templates/*", "*/receptor_topology/bin/*","*/receptor_topology/data/*"] + [project.urls] Homepage = "https://github.com/dptech-corp/Uni-Dock" @@ -54,4 +55,4 @@ reportMissingImports = false reportMissingModuleSource = false reportAttributeAccessIssue = false reportIncompatibleMethodOverride = false -reportCallIssue = false \ No newline at end of file +reportCallIssue = false diff --git a/unidock_tools/src/unidock_tools/application/mcdock.py b/unidock_tools/src/unidock_tools/application/mcdock.py index 7d96194..308f17c 100644 --- a/unidock_tools/src/unidock_tools/application/mcdock.py +++ b/unidock_tools/src/unidock_tools/application/mcdock.py @@ -87,7 +87,7 @@ def __init__(self, if receptor.suffix == ".pdb": #pdb2pdbqt(receptor, workdir.joinpath(receptor.stem + ".pdbqt")) #receptor = workdir.joinpath(receptor.stem + ".pdbqt") - receptor_pdbqt_file_name = receptor_preprocessor(receptor, working_dir_name=workdir) + receptor_pdbqt_file_name = receptor_preprocessor(str(receptor), working_dir_name=str(workdir)) self.receptor = receptor_pdbqt_file_name if receptor.suffix != ".pdbqt": logging.error("receptor file must be pdb/pdbqt format") diff --git a/unidock_tools/src/unidock_tools/application/unidock_pipeline.py b/unidock_tools/src/unidock_tools/application/unidock_pipeline.py index 7b1f571..81e05cd 100644 --- a/unidock_tools/src/unidock_tools/application/unidock_pipeline.py +++ b/unidock_tools/src/unidock_tools/application/unidock_pipeline.py @@ -84,7 +84,7 @@ def __init__(self, if receptor.suffix == ".pdb": ###pdb2pdbqt(receptor, workdir.joinpath(receptor.stem + ".pdbqt")) ###receptor = workdir.joinpath(receptor.stem + ".pdbqt") - receptor_pdbqt_file_name = receptor_preprocessor(receptor, working_dir_name=workdir) + receptor_pdbqt_file_name = receptor_preprocessor(str(receptor), working_dir_name=str(workdir)) self.receptor = receptor_pdbqt_file_name if receptor.suffix != ".pdbqt": logging.error("receptor file must be pdb/pdbqt format") diff --git a/unidock_tools/src/unidock_tools/modules/docking/unidock.py b/unidock_tools/src/unidock_tools/modules/docking/unidock.py index f41d68f..20091ad 100644 --- a/unidock_tools/src/unidock_tools/modules/docking/unidock.py +++ b/unidock_tools/src/unidock_tools/modules/docking/unidock.py @@ -45,7 +45,7 @@ def __init__(self, size_z = min(size_z*2, 25) if scoring.lower() == "ad4": - map_prefix = os.path.join(working_dir_name, 'protein.maps.fld') + map_prefix = os.path.join(self.workdir, 'receptor_grids','protein_conf_0', 'protein.maps.fld') cmd += ["--maps", str(map_prefix)] else: cmd += ["--receptor", str(receptor)] @@ -92,28 +92,6 @@ def __init__(self, self.pre_result_ligands = [Path(os.path.join(output_dir, f"{l.stem}_out.sdf")) for l in ligands] - def check_env(self, use_ad4: bool = False): - if not shutil.which("unidock"): - raise ModuleNotFoundError("UniDock is not installed.") - if use_ad4: - mgltools_python_path = shutil.which("pythonsh") - if not mgltools_python_path: - raise ModuleNotFoundError("MGLTools is not installed.") - prepare_gpf4_script_path = os.path.join( - os.path.dirname(os.path.dirname(mgltools_python_path)), - "MGLToolsPckgs", - "AutoDockTools", - "Utilities24", - "prepare_gpf4.py", - ) - if not os.path.exists(prepare_gpf4_script_path): - raise ModuleNotFoundError("MGLTools is not installed.") - if not shutil.which("autogrid4"): - raise ModuleNotFoundError("AutoGrid4 is not installed.") - self.mgltools_python_path = mgltools_python_path - self.prepare_gpf4_script_path = prepare_gpf4_script_path - self.ad4_map_data_path = str(Path(__file__).parent.parent.parent.joinpath("data/docking/AD4.1_bound.dat")) - def run(self): resp = subprocess.run( diff --git a/unidock_tools/tests/ut/proprep/protein.pdbqt b/unidock_tools/tests/ut/proprep/protein.pdbqt deleted file mode 100644 index 6827a7c..0000000 --- a/unidock_tools/tests/ut/proprep/protein.pdbqt +++ /dev/null @@ -1,4075 +0,0 @@ -REMARK Name = TRANSFERASE -ATOM 1 CH3 ACE A 951 -18.384 -30.888 -5.280 0.00 0.00 0.015 C -ATOM 2 C ACE A 951 -18.239 -29.878 -4.147 0.00 0.00 0.217 C -ATOM 3 O ACE A 951 -19.161 -29.718 -3.348 0.00 0.00 -0.275 OA -ATOM 4 1H ACE A 951 -19.260 -30.650 -5.883 0.00 0.00 0.033 H -ATOM 5 2H ACE A 951 -17.513 -30.887 -5.935 0.00 0.00 0.033 H -ATOM 6 3H ACE A 951 -18.507 -31.891 -4.873 0.00 0.00 0.033 H -ATOM 7 N GLY A 952 -17.084 -29.194 -4.091 0.00 0.00 -0.347 N -ATOM 8 CA GLY A 952 -16.780 -28.149 -3.108 0.00 0.00 0.097 C -ATOM 9 C GLY A 952 -17.510 -26.827 -3.404 0.00 0.00 0.240 C -ATOM 10 O GLY A 952 -17.552 -25.958 -2.534 0.00 0.00 -0.273 OA -ATOM 11 H1 GLY A 952 -16.384 -29.368 -4.798 0.00 0.00 0.164 HD -ATOM 12 HA3 GLY A 952 -15.707 -27.957 -3.118 0.00 0.00 0.059 H -ATOM 13 HA2 GLY A 952 -17.033 -28.491 -2.104 0.00 0.00 0.059 H -ATOM 14 N THR A 953 -18.078 -26.671 -4.612 0.00 0.00 -0.341 N -ATOM 15 CA THR A 953 -18.896 -25.528 -5.007 0.00 0.00 0.134 C -ATOM 16 C THR A 953 -20.345 -25.712 -4.532 0.00 0.00 0.245 C -ATOM 17 O THR A 953 -20.909 -26.793 -4.706 0.00 0.00 -0.273 OA -ATOM 18 CB THR A 953 -18.933 -25.374 -6.550 0.00 0.00 0.080 C -ATOM 19 CG2 THR A 953 -19.838 -24.255 -7.102 0.00 0.00 -0.036 C -ATOM 20 OG1 THR A 953 -17.621 -25.138 -7.012 0.00 0.00 -0.391 OA -ATOM 21 H THR A 953 -17.995 -27.409 -5.298 0.00 0.00 0.164 HD -ATOM 22 HA THR A 953 -18.475 -24.621 -4.576 0.00 0.00 0.066 H -ATOM 23 HB THR A 953 -19.256 -26.316 -6.989 0.00 0.00 0.062 H -ATOM 24 HG21 THR A 953 -19.718 -24.147 -8.181 0.00 0.00 0.026 H -ATOM 25 HG22 THR A 953 -20.896 -24.456 -6.927 0.00 0.00 0.026 H -ATOM 26 HG23 THR A 953 -19.601 -23.297 -6.639 0.00 0.00 0.026 H -ATOM 27 HG1 THR A 953 -17.664 -24.817 -7.920 0.00 0.00 0.211 HD -ATOM 28 N ILE A 954 -20.927 -24.625 -4.006 0.00 0.00 -0.342 N -ATOM 29 CA ILE A 954 -22.365 -24.492 -3.781 0.00 0.00 0.110 C -ATOM 30 C ILE A 954 -22.867 -23.254 -4.546 0.00 0.00 0.243 C -ATOM 31 O ILE A 954 -22.108 -22.303 -4.750 0.00 0.00 -0.273 OA -ATOM 32 CB ILE A 954 -22.726 -24.359 -2.269 0.00 0.00 -0.015 C -ATOM 33 CG1 ILE A 954 -22.251 -23.052 -1.585 0.00 0.00 -0.051 C -ATOM 34 CG2 ILE A 954 -22.263 -25.611 -1.497 0.00 0.00 -0.060 C -ATOM 35 CD1 ILE A 954 -22.669 -22.917 -0.115 0.00 0.00 -0.065 C -ATOM 36 H ILE A 954 -20.388 -23.778 -3.886 0.00 0.00 0.164 HD -ATOM 37 HA ILE A 954 -22.893 -25.358 -4.186 0.00 0.00 0.064 H -ATOM 38 HB ILE A 954 -23.816 -24.358 -2.212 0.00 0.00 0.033 H -ATOM 39 HG13 ILE A 954 -22.647 -22.182 -2.107 0.00 0.00 0.027 H -ATOM 40 HG12 ILE A 954 -21.166 -22.983 -1.654 0.00 0.00 0.027 H -ATOM 41 HG21 ILE A 954 -22.666 -25.635 -0.485 0.00 0.00 0.023 H -ATOM 42 HG22 ILE A 954 -22.596 -26.523 -1.995 0.00 0.00 0.023 H -ATOM 43 HG23 ILE A 954 -21.176 -25.656 -1.422 0.00 0.00 0.023 H -ATOM 44 HD11 ILE A 954 -22.655 -21.871 0.195 0.00 0.00 0.023 H -ATOM 45 HD12 ILE A 954 -23.678 -23.295 0.051 0.00 0.00 0.023 H -ATOM 46 HD13 ILE A 954 -21.990 -23.463 0.540 0.00 0.00 0.023 H -ATOM 47 N LEU A 955 -24.143 -23.305 -4.952 0.00 0.00 -0.343 N -ATOM 48 CA LEU A 955 -24.831 -22.225 -5.651 0.00 0.00 0.108 C -ATOM 49 C LEU A 955 -25.885 -21.637 -4.707 0.00 0.00 0.243 C -ATOM 50 O LEU A 955 -26.698 -22.388 -4.168 0.00 0.00 -0.273 OA -ATOM 51 CB LEU A 955 -25.485 -22.777 -6.934 0.00 0.00 -0.021 C -ATOM 52 CG LEU A 955 -24.488 -23.285 -8.001 0.00 0.00 -0.045 C -ATOM 53 CD1 LEU A 955 -25.231 -23.967 -9.169 0.00 0.00 -0.063 C -ATOM 54 CD2 LEU A 955 -23.523 -22.182 -8.486 0.00 0.00 -0.063 C -ATOM 55 H LEU A 955 -24.704 -24.117 -4.739 0.00 0.00 0.164 HD -ATOM 56 HA LEU A 955 -24.133 -21.435 -5.924 0.00 0.00 0.063 H -ATOM 57 HB3 LEU A 955 -26.099 -21.996 -7.379 0.00 0.00 0.030 H -ATOM 58 HB2 LEU A 955 -26.171 -23.582 -6.667 0.00 0.00 0.030 H -ATOM 59 HG LEU A 955 -23.879 -24.062 -7.537 0.00 0.00 0.030 H -ATOM 60 HD11 LEU A 955 -24.809 -24.952 -9.374 0.00 0.00 0.023 H -ATOM 61 HD12 LEU A 955 -26.290 -24.111 -8.951 0.00 0.00 0.023 H -ATOM 62 HD13 LEU A 955 -25.180 -23.394 -10.092 0.00 0.00 0.023 H -ATOM 63 HD21 LEU A 955 -23.379 -22.198 -9.565 0.00 0.00 0.023 H -ATOM 64 HD22 LEU A 955 -23.874 -21.183 -8.225 0.00 0.00 0.023 H -ATOM 65 HD23 LEU A 955 -22.539 -22.312 -8.034 0.00 0.00 0.023 H -ATOM 66 N ILE A 956 -25.840 -20.309 -4.528 0.00 0.00 -0.342 N -ATOM 67 CA ILE A 956 -26.719 -19.566 -3.627 0.00 0.00 0.110 C -ATOM 68 C ILE A 956 -27.502 -18.543 -4.465 0.00 0.00 0.243 C -ATOM 69 O ILE A 956 -26.910 -17.571 -4.935 0.00 0.00 -0.273 OA -ATOM 70 CB ILE A 956 -25.895 -18.808 -2.536 0.00 0.00 -0.015 C -ATOM 71 CG1 ILE A 956 -24.980 -19.748 -1.714 0.00 0.00 -0.051 C -ATOM 72 CG2 ILE A 956 -26.762 -17.935 -1.600 0.00 0.00 -0.060 C -ATOM 73 CD1 ILE A 956 -25.696 -20.900 -0.989 0.00 0.00 -0.065 C -ATOM 74 H ILE A 956 -25.130 -19.766 -5.002 0.00 0.00 0.164 HD -ATOM 75 HA ILE A 956 -27.435 -20.227 -3.136 0.00 0.00 0.064 H -ATOM 76 HB ILE A 956 -25.214 -18.125 -3.045 0.00 0.00 0.033 H -ATOM 77 HG13 ILE A 956 -24.416 -19.161 -0.987 0.00 0.00 0.027 H -ATOM 78 HG12 ILE A 956 -24.223 -20.175 -2.372 0.00 0.00 0.027 H -ATOM 79 HG21 ILE A 956 -26.150 -17.463 -0.831 0.00 0.00 0.023 H -ATOM 80 HG22 ILE A 956 -27.262 -17.129 -2.137 0.00 0.00 0.023 H -ATOM 81 HG23 ILE A 956 -27.530 -18.522 -1.097 0.00 0.00 0.023 H -ATOM 82 HD11 ILE A 956 -25.277 -21.052 0.005 0.00 0.00 0.023 H -ATOM 83 HD12 ILE A 956 -26.764 -20.718 -0.868 0.00 0.00 0.023 H -ATOM 84 HD13 ILE A 956 -25.582 -21.835 -1.538 0.00 0.00 0.023 H -ATOM 85 N ASP A 957 -28.815 -18.781 -4.637 0.00 0.00 -0.342 N -ATOM 86 CA ASP A 957 -29.731 -17.899 -5.372 0.00 0.00 0.113 C -ATOM 87 C ASP A 957 -29.847 -16.523 -4.698 0.00 0.00 0.243 C -ATOM 88 O ASP A 957 -30.080 -16.457 -3.489 0.00 0.00 -0.273 OA -ATOM 89 CB ASP A 957 -31.163 -18.462 -5.585 0.00 0.00 0.016 C -ATOM 90 CG ASP A 957 -31.302 -19.857 -6.208 0.00 0.00 0.044 C -ATOM 91 OD1 ASP A 957 -30.307 -20.608 -6.277 0.00 0.00 -0.550 OA -ATOM 92 OD2 ASP A 957 -32.451 -20.178 -6.584 0.00 0.00 -0.550 O -ATOM 93 H ASP A 957 -29.234 -19.603 -4.221 0.00 0.00 0.164 HD -ATOM 94 HA ASP A 957 -29.298 -17.755 -6.363 0.00 0.00 0.064 H -ATOM 95 HB3 ASP A 957 -31.698 -17.766 -6.232 0.00 0.00 0.036 H -ATOM 96 HB2 ASP A 957 -31.684 -18.486 -4.627 0.00 0.00 0.036 H -ATOM 97 N LEU A 958 -29.720 -15.461 -5.506 0.00 0.00 -0.342 N -ATOM 98 CA LEU A 958 -29.961 -14.081 -5.095 0.00 0.00 0.108 C -ATOM 99 C LEU A 958 -31.429 -13.733 -5.372 0.00 0.00 0.243 C -ATOM 100 O LEU A 958 -31.925 -14.033 -6.458 0.00 0.00 -0.273 OA -ATOM 101 CB LEU A 958 -29.030 -13.135 -5.884 0.00 0.00 -0.021 C -ATOM 102 CG LEU A 958 -27.521 -13.335 -5.634 0.00 0.00 -0.045 C -ATOM 103 CD1 LEU A 958 -26.683 -12.510 -6.634 0.00 0.00 -0.063 C -ATOM 104 CD2 LEU A 958 -27.133 -13.056 -4.165 0.00 0.00 -0.063 C -ATOM 105 H LEU A 958 -29.523 -15.600 -6.489 0.00 0.00 0.164 HD -ATOM 106 HA LEU A 958 -29.767 -13.970 -4.028 0.00 0.00 0.063 H -ATOM 107 HB3 LEU A 958 -29.280 -12.102 -5.641 0.00 0.00 0.030 H -ATOM 108 HB2 LEU A 958 -29.227 -13.255 -6.950 0.00 0.00 0.030 H -ATOM 109 HG LEU A 958 -27.292 -14.382 -5.838 0.00 0.00 0.030 H -ATOM 110 HD11 LEU A 958 -26.001 -13.157 -7.186 0.00 0.00 0.023 H -ATOM 111 HD12 LEU A 958 -27.303 -11.996 -7.369 0.00 0.00 0.023 H -ATOM 112 HD13 LEU A 958 -26.079 -11.747 -6.147 0.00 0.00 0.023 H -ATOM 113 HD21 LEU A 958 -26.285 -12.379 -4.070 0.00 0.00 0.023 H -ATOM 114 HD22 LEU A 958 -27.951 -12.609 -3.600 0.00 0.00 0.023 H -ATOM 115 HD23 LEU A 958 -26.861 -13.984 -3.660 0.00 0.00 0.023 H -ATOM 116 N SER A 959 -32.088 -13.082 -4.402 0.00 0.00 -0.340 N -ATOM 117 CA SER A 959 -33.456 -12.572 -4.534 0.00 0.00 0.131 C -ATOM 118 C SER A 959 -33.520 -11.446 -5.592 0.00 0.00 0.248 C -ATOM 119 O SER A 959 -32.623 -10.605 -5.588 0.00 0.00 -0.272 OA -ATOM 120 CB SER A 959 -33.894 -12.049 -3.150 0.00 0.00 0.072 C -ATOM 121 OG SER A 959 -35.203 -11.512 -3.180 0.00 0.00 -0.394 OA -ATOM 122 H SER A 959 -31.610 -12.856 -3.540 0.00 0.00 0.164 HD -ATOM 123 HA SER A 959 -34.093 -13.415 -4.792 0.00 0.00 0.066 H -ATOM 124 HB3 SER A 959 -33.212 -11.277 -2.791 0.00 0.00 0.059 H -ATOM 125 HB2 SER A 959 -33.872 -12.858 -2.419 0.00 0.00 0.059 H -ATOM 126 HG SER A 959 -35.446 -11.246 -2.289 0.00 0.00 0.210 HD -ATOM 127 N PRO A 960 -34.577 -11.403 -6.440 0.00 0.00 -0.329 N -ATOM 128 CA PRO A 960 -34.878 -10.238 -7.303 0.00 0.00 0.111 C -ATOM 129 C PRO A 960 -34.890 -8.855 -6.621 0.00 0.00 0.243 C -ATOM 130 O PRO A 960 -34.530 -7.870 -7.264 0.00 0.00 -0.273 OA -ATOM 131 CB PRO A 960 -36.243 -10.576 -7.920 0.00 0.00 -0.022 C -ATOM 132 CG PRO A 960 -36.273 -12.093 -7.942 0.00 0.00 -0.033 C -ATOM 133 CD PRO A 960 -35.552 -12.472 -6.655 0.00 0.00 0.021 C -ATOM 134 HA PRO A 960 -34.132 -10.235 -8.091 0.00 0.00 0.063 H -ATOM 135 HB3 PRO A 960 -36.373 -10.148 -8.915 0.00 0.00 0.029 H -ATOM 136 HB2 PRO A 960 -37.055 -10.207 -7.290 0.00 0.00 0.029 H -ATOM 137 HG3 PRO A 960 -35.697 -12.447 -8.799 0.00 0.00 0.029 H -ATOM 138 HG2 PRO A 960 -37.277 -12.510 -8.015 0.00 0.00 0.029 H -ATOM 139 HD2 PRO A 960 -36.245 -12.496 -5.813 0.00 0.00 0.049 H -ATOM 140 HD3 PRO A 960 -35.089 -13.453 -6.761 0.00 0.00 0.049 H -ATOM 141 N ASP A 961 -35.268 -8.822 -5.332 0.00 0.00 -0.342 N -ATOM 142 CA ASP A 961 -35.297 -7.633 -4.472 0.00 0.00 0.113 C -ATOM 143 C ASP A 961 -33.908 -7.200 -3.959 0.00 0.00 0.243 C -ATOM 144 O ASP A 961 -33.793 -6.087 -3.448 0.00 0.00 -0.273 OA -ATOM 145 CB ASP A 961 -36.264 -7.803 -3.273 0.00 0.00 0.016 C -ATOM 146 CG ASP A 961 -37.666 -8.308 -3.634 0.00 0.00 0.044 C -ATOM 147 OD1 ASP A 961 -38.133 -7.996 -4.752 0.00 0.00 -0.550 OA -ATOM 148 OD2 ASP A 961 -38.281 -8.937 -2.745 0.00 0.00 -0.550 O -ATOM 149 H ASP A 961 -35.558 -9.682 -4.887 0.00 0.00 0.164 HD -ATOM 150 HA ASP A 961 -35.672 -6.804 -5.075 0.00 0.00 0.064 H -ATOM 151 HB3 ASP A 961 -36.373 -6.859 -2.737 0.00 0.00 0.036 H -ATOM 152 HB2 ASP A 961 -35.822 -8.519 -2.578 0.00 0.00 0.036 H -ATOM 153 N ASP A 962 -32.885 -8.063 -4.095 0.00 0.00 -0.342 N -ATOM 154 CA ASP A 962 -31.502 -7.793 -3.701 0.00 0.00 0.113 C -ATOM 155 C ASP A 962 -30.860 -6.811 -4.699 0.00 0.00 0.243 C -ATOM 156 O ASP A 962 -30.996 -6.994 -5.909 0.00 0.00 -0.273 OA -ATOM 157 CB ASP A 962 -30.694 -9.116 -3.614 0.00 0.00 0.016 C -ATOM 158 CG ASP A 962 -29.352 -9.050 -2.874 0.00 0.00 0.044 C -ATOM 159 OD1 ASP A 962 -28.915 -7.941 -2.495 0.00 0.00 -0.550 OA -ATOM 160 OD2 ASP A 962 -28.766 -10.140 -2.701 0.00 0.00 -0.550 O -ATOM 161 H ASP A 962 -33.046 -8.951 -4.551 0.00 0.00 0.164 HD -ATOM 162 HA ASP A 962 -31.529 -7.336 -2.711 0.00 0.00 0.064 H -ATOM 163 HB3 ASP A 962 -30.490 -9.485 -4.620 0.00 0.00 0.036 H -ATOM 164 HB2 ASP A 962 -31.308 -9.859 -3.106 0.00 0.00 0.036 H -ATOM 165 N LYS A 963 -30.124 -5.822 -4.165 0.00 0.00 -0.343 N -ATOM 166 CA LYS A 963 -29.282 -4.887 -4.916 0.00 0.00 0.108 C -ATOM 167 C LYS A 963 -28.191 -5.587 -5.754 0.00 0.00 0.243 C -ATOM 168 O LYS A 963 -27.810 -5.060 -6.798 0.00 0.00 -0.273 OA -ATOM 169 CB LYS A 963 -28.664 -3.866 -3.930 0.00 0.00 -0.023 C -ATOM 170 CG LYS A 963 -27.561 -4.430 -3.006 0.00 0.00 -0.045 C -ATOM 171 CD LYS A 963 -27.023 -3.411 -1.994 0.00 0.00 -0.004 C -ATOM 172 CE LYS A 963 -25.876 -4.002 -1.161 0.00 0.00 0.074 C -ATOM 173 NZ LYS A 963 -25.312 -3.016 -0.225 0.00 0.00 -0.358 N -ATOM 174 H LYS A 963 -30.064 -5.750 -3.158 0.00 0.00 0.164 HD -ATOM 175 HA LYS A 963 -29.935 -4.346 -5.604 0.00 0.00 0.063 H -ATOM 176 HB3 LYS A 963 -29.458 -3.418 -3.331 0.00 0.00 0.029 H -ATOM 177 HB2 LYS A 963 -28.232 -3.046 -4.505 0.00 0.00 0.029 H -ATOM 178 HG3 LYS A 963 -26.719 -4.778 -3.603 0.00 0.00 0.027 H -ATOM 179 HG2 LYS A 963 -27.934 -5.305 -2.474 0.00 0.00 0.027 H -ATOM 180 HD3 LYS A 963 -27.832 -3.091 -1.335 0.00 0.00 0.032 H -ATOM 181 HD2 LYS A 963 -26.679 -2.521 -2.522 0.00 0.00 0.032 H -ATOM 182 HE3 LYS A 963 -25.076 -4.350 -1.815 0.00 0.00 0.092 H -ATOM 183 HE2 LYS A 963 -26.224 -4.865 -0.593 0.00 0.00 0.092 H -ATOM 184 HZ1 LYS A 963 -24.547 -3.451 0.276 0.00 0.00 0.344 HD -ATOM 185 HZ2 LYS A 963 -24.965 -2.218 -0.738 0.00 0.00 0.344 HD -ATOM 186 HZ3 LYS A 963 -26.022 -2.720 0.429 0.00 0.00 0.344 HD -ATOM 187 N GLU A 964 -27.710 -6.749 -5.276 0.00 0.00 -0.343 N -ATOM 188 CA GLU A 964 -26.655 -7.534 -5.909 0.00 0.00 0.108 C -ATOM 189 C GLU A 964 -27.165 -8.330 -7.126 0.00 0.00 0.243 C -ATOM 190 O GLU A 964 -26.424 -8.454 -8.098 0.00 0.00 -0.273 OA -ATOM 191 CB GLU A 964 -25.982 -8.411 -4.837 0.00 0.00 -0.018 C -ATOM 192 CG GLU A 964 -24.674 -9.075 -5.311 0.00 0.00 -0.011 C -ATOM 193 CD GLU A 964 -23.921 -9.825 -4.210 0.00 0.00 0.041 C -ATOM 194 OE1 GLU A 964 -24.363 -9.795 -3.041 0.00 0.00 -0.550 OA -ATOM 195 OE2 GLU A 964 -22.878 -10.416 -4.560 0.00 0.00 -0.550 O -ATOM 196 H GLU A 964 -28.077 -7.116 -4.407 0.00 0.00 0.164 HD -ATOM 197 HA GLU A 964 -25.901 -6.833 -6.269 0.00 0.00 0.063 H -ATOM 198 HB3 GLU A 964 -26.679 -9.181 -4.502 0.00 0.00 0.030 H -ATOM 199 HB2 GLU A 964 -25.777 -7.793 -3.961 0.00 0.00 0.030 H -ATOM 200 HG3 GLU A 964 -24.003 -8.314 -5.711 0.00 0.00 0.033 H -ATOM 201 HG2 GLU A 964 -24.871 -9.769 -6.128 0.00 0.00 0.033 H -ATOM 202 N PHE A 965 -28.435 -8.777 -7.091 0.00 0.00 -0.342 N -ATOM 203 CA PHE A 965 -29.154 -9.313 -8.252 0.00 0.00 0.112 C -ATOM 204 C PHE A 965 -29.368 -8.227 -9.320 0.00 0.00 0.243 C -ATOM 205 O PHE A 965 -29.092 -8.467 -10.494 0.00 0.00 -0.273 OA -ATOM 206 CB PHE A 965 -30.499 -9.919 -7.789 0.00 0.00 0.002 C -ATOM 207 CG PHE A 965 -31.384 -10.544 -8.859 0.00 0.00 -0.045 A -ATOM 208 CD1 PHE A 965 -32.175 -9.740 -9.708 0.00 0.00 -0.059 A -ATOM 209 CD2 PHE A 965 -31.345 -11.936 -9.085 0.00 0.00 -0.059 A -ATOM 210 CE1 PHE A 965 -32.932 -10.325 -10.712 0.00 0.00 -0.062 A -ATOM 211 CE2 PHE A 965 -32.103 -12.500 -10.101 0.00 0.00 -0.062 A -ATOM 212 CZ PHE A 965 -32.890 -11.697 -10.914 0.00 0.00 -0.062 A -ATOM 213 H PHE A 965 -28.988 -8.627 -6.259 0.00 0.00 0.164 HD -ATOM 214 HA PHE A 965 -28.549 -10.110 -8.688 0.00 0.00 0.064 H -ATOM 215 HB3 PHE A 965 -31.093 -9.153 -7.292 0.00 0.00 0.034 H -ATOM 216 HB2 PHE A 965 -30.308 -10.674 -7.029 0.00 0.00 0.034 H -ATOM 217 HD1 PHE A 965 -32.215 -8.669 -9.568 0.00 0.00 0.063 H -ATOM 218 HD2 PHE A 965 -30.736 -12.570 -8.461 0.00 0.00 0.063 H -ATOM 219 HE1 PHE A 965 -33.557 -9.706 -11.335 0.00 0.00 0.062 H -ATOM 220 HE2 PHE A 965 -32.074 -13.566 -10.267 0.00 0.00 0.062 H -ATOM 221 HZ PHE A 965 -33.469 -12.141 -11.709 0.00 0.00 0.062 H -ATOM 222 N GLN A 966 -29.861 -7.060 -8.873 0.00 0.00 -0.342 N -ATOM 223 CA GLN A 966 -30.217 -5.913 -9.704 0.00 0.00 0.108 C -ATOM 224 C GLN A 966 -29.032 -5.298 -10.462 0.00 0.00 0.243 C -ATOM 225 O GLN A 966 -29.194 -4.972 -11.635 0.00 0.00 -0.273 OA -ATOM 226 CB GLN A 966 -30.945 -4.864 -8.843 0.00 0.00 -0.015 C -ATOM 227 CG GLN A 966 -32.360 -5.311 -8.422 0.00 0.00 0.029 C -ATOM 228 CD GLN A 966 -32.981 -4.433 -7.333 0.00 0.00 0.217 C -ATOM 229 NE2 GLN A 966 -34.074 -4.912 -6.738 0.00 0.00 -0.370 N -ATOM 230 OE1 GLN A 966 -32.501 -3.341 -7.036 0.00 0.00 -0.275 OA -ATOM 231 H GLN A 966 -30.065 -6.964 -7.887 0.00 0.00 0.164 HD -ATOM 232 HA GLN A 966 -30.917 -6.276 -10.459 0.00 0.00 0.063 H -ATOM 233 HB3 GLN A 966 -31.023 -3.920 -9.385 0.00 0.00 0.030 H -ATOM 234 HB2 GLN A 966 -30.341 -4.655 -7.959 0.00 0.00 0.030 H -ATOM 235 HG3 GLN A 966 -32.338 -6.337 -8.056 0.00 0.00 0.037 H -ATOM 236 HG2 GLN A 966 -33.021 -5.311 -9.289 0.00 0.00 0.037 H -ATOM 237 HE22 GLN A 966 -34.543 -4.375 -6.019 0.00 0.00 0.159 HD -ATOM 238 HE21 GLN A 966 -34.434 -5.823 -6.991 0.00 0.00 0.159 HD -ATOM 239 N SER A 967 -27.868 -5.183 -9.803 0.00 0.00 -0.340 N -ATOM 240 CA SER A 967 -26.630 -4.685 -10.406 0.00 0.00 0.131 C -ATOM 241 C SER A 967 -26.018 -5.655 -11.437 0.00 0.00 0.245 C -ATOM 242 O SER A 967 -25.497 -5.186 -12.450 0.00 0.00 -0.273 OA -ATOM 243 CB SER A 967 -25.639 -4.274 -9.298 0.00 0.00 0.072 C -ATOM 244 OG SER A 967 -25.116 -5.382 -8.590 0.00 0.00 -0.394 OA -ATOM 245 H SER A 967 -27.818 -5.456 -8.831 0.00 0.00 0.164 HD -ATOM 246 HA SER A 967 -26.888 -3.773 -10.948 0.00 0.00 0.066 H -ATOM 247 HB3 SER A 967 -26.115 -3.591 -8.593 0.00 0.00 0.059 H -ATOM 248 HB2 SER A 967 -24.802 -3.729 -9.735 0.00 0.00 0.059 H -ATOM 249 HG SER A 967 -25.805 -5.736 -8.022 0.00 0.00 0.210 HD -ATOM 250 N VAL A 968 -26.125 -6.974 -11.191 0.00 0.00 -0.342 N -ATOM 251 CA VAL A 968 -25.669 -8.015 -12.116 0.00 0.00 0.110 C -ATOM 252 C VAL A 968 -26.591 -8.134 -13.348 0.00 0.00 0.243 C -ATOM 253 O VAL A 968 -26.067 -8.293 -14.451 0.00 0.00 -0.273 OA -ATOM 254 CB VAL A 968 -25.507 -9.394 -11.409 0.00 0.00 -0.018 C -ATOM 255 CG1 VAL A 968 -25.265 -10.590 -12.355 0.00 0.00 -0.060 C -ATOM 256 CG2 VAL A 968 -24.355 -9.346 -10.388 0.00 0.00 -0.060 C -ATOM 257 H VAL A 968 -26.561 -7.292 -10.337 0.00 0.00 0.164 HD -ATOM 258 HA VAL A 968 -24.683 -7.721 -12.482 0.00 0.00 0.063 H -ATOM 259 HB VAL A 968 -26.424 -9.598 -10.852 0.00 0.00 0.032 H -ATOM 260 HG11 VAL A 968 -25.042 -11.499 -11.795 0.00 0.00 0.023 H -ATOM 261 HG12 VAL A 968 -26.131 -10.809 -12.978 0.00 0.00 0.023 H -ATOM 262 HG13 VAL A 968 -24.419 -10.398 -13.015 0.00 0.00 0.023 H -ATOM 263 HG21 VAL A 968 -24.326 -10.255 -9.788 0.00 0.00 0.023 H -ATOM 264 HG22 VAL A 968 -23.390 -9.249 -10.885 0.00 0.00 0.023 H -ATOM 265 HG23 VAL A 968 -24.444 -8.504 -9.702 0.00 0.00 0.023 H -ATOM 266 N GLU A 969 -27.921 -7.990 -13.163 0.00 0.00 -0.342 N -ATOM 267 CA GLU A 969 -28.877 -7.887 -14.269 0.00 0.00 0.108 C -ATOM 268 C GLU A 969 -28.712 -6.593 -15.085 0.00 0.00 0.243 C -ATOM 269 O GLU A 969 -28.814 -6.661 -16.305 0.00 0.00 -0.273 OA -ATOM 270 CB GLU A 969 -30.342 -8.134 -13.827 0.00 0.00 -0.018 C -ATOM 271 CG GLU A 969 -31.364 -7.857 -14.964 0.00 0.00 -0.011 C -ATOM 272 CD GLU A 969 -32.792 -8.340 -14.732 0.00 0.00 0.041 C -ATOM 273 OE1 GLU A 969 -33.099 -8.793 -13.610 0.00 0.00 -0.550 OA -ATOM 274 OE2 GLU A 969 -33.569 -8.242 -15.707 0.00 0.00 -0.550 O -ATOM 275 H GLU A 969 -28.293 -7.883 -12.228 0.00 0.00 0.164 HD -ATOM 276 HA GLU A 969 -28.644 -8.707 -14.949 0.00 0.00 0.063 H -ATOM 277 HB3 GLU A 969 -30.579 -7.516 -12.960 0.00 0.00 0.030 H -ATOM 278 HB2 GLU A 969 -30.436 -9.169 -13.497 0.00 0.00 0.030 H -ATOM 279 HG3 GLU A 969 -31.015 -8.317 -15.888 0.00 0.00 0.033 H -ATOM 280 HG2 GLU A 969 -31.428 -6.786 -15.160 0.00 0.00 0.033 H -ATOM 281 N GLU A 970 -28.455 -5.449 -14.427 0.00 0.00 -0.343 N -ATOM 282 CA GLU A 970 -28.288 -4.161 -15.103 0.00 0.00 0.108 C -ATOM 283 C GLU A 970 -27.091 -4.153 -16.068 0.00 0.00 0.243 C -ATOM 284 O GLU A 970 -27.246 -3.695 -17.197 0.00 0.00 -0.273 OA -ATOM 285 CB GLU A 970 -28.235 -3.015 -14.069 0.00 0.00 -0.018 C -ATOM 286 CG GLU A 970 -28.133 -1.588 -14.655 0.00 0.00 -0.011 C -ATOM 287 CD GLU A 970 -29.302 -1.216 -15.574 0.00 0.00 0.041 C -ATOM 288 OE1 GLU A 970 -30.455 -1.510 -15.183 0.00 0.00 -0.550 OA -ATOM 289 OE2 GLU A 970 -29.026 -0.648 -16.652 0.00 0.00 -0.550 O -ATOM 290 H GLU A 970 -28.399 -5.443 -13.417 0.00 0.00 0.164 HD -ATOM 291 HA GLU A 970 -29.182 -4.021 -15.712 0.00 0.00 0.063 H -ATOM 292 HB3 GLU A 970 -27.390 -3.176 -13.398 0.00 0.00 0.030 H -ATOM 293 HB2 GLU A 970 -29.120 -3.067 -13.435 0.00 0.00 0.030 H -ATOM 294 HG3 GLU A 970 -27.198 -1.466 -15.200 0.00 0.00 0.033 H -ATOM 295 HG2 GLU A 970 -28.103 -0.865 -13.840 0.00 0.00 0.033 H -ATOM 296 N GLU A 971 -25.955 -4.725 -15.634 0.00 0.00 -0.343 N -ATOM 297 CA GLU A 971 -24.761 -4.902 -16.459 0.00 0.00 0.108 C -ATOM 298 C GLU A 971 -24.949 -5.948 -17.576 0.00 0.00 0.243 C -ATOM 299 O GLU A 971 -24.383 -5.777 -18.653 0.00 0.00 -0.273 OA -ATOM 300 CB GLU A 971 -23.568 -5.227 -15.534 0.00 0.00 -0.018 C -ATOM 301 CG GLU A 971 -22.182 -5.300 -16.214 0.00 0.00 -0.011 C -ATOM 302 CD GLU A 971 -21.668 -3.988 -16.816 0.00 0.00 0.041 C -ATOM 303 OE1 GLU A 971 -22.265 -2.923 -16.550 0.00 0.00 -0.550 OA -ATOM 304 OE2 GLU A 971 -20.634 -4.062 -17.512 0.00 0.00 -0.550 O -ATOM 305 H GLU A 971 -25.908 -5.087 -14.691 0.00 0.00 0.164 HD -ATOM 306 HA GLU A 971 -24.574 -3.947 -16.951 0.00 0.00 0.063 H -ATOM 307 HB3 GLU A 971 -23.756 -6.179 -15.036 0.00 0.00 0.030 H -ATOM 308 HB2 GLU A 971 -23.523 -4.491 -14.730 0.00 0.00 0.030 H -ATOM 309 HG3 GLU A 971 -22.173 -6.070 -16.984 0.00 0.00 0.033 H -ATOM 310 HG2 GLU A 971 -21.450 -5.610 -15.474 0.00 0.00 0.033 H -ATOM 311 N MET A 972 -25.762 -6.988 -17.324 0.00 0.00 -0.342 N -ATOM 312 CA MET A 972 -26.155 -8.002 -18.304 0.00 0.00 0.109 C -ATOM 313 C MET A 972 -27.007 -7.400 -19.440 0.00 0.00 0.243 C -ATOM 314 O MET A 972 -26.658 -7.579 -20.602 0.00 0.00 -0.273 OA -ATOM 315 CB MET A 972 -26.830 -9.172 -17.549 0.00 0.00 -0.015 C -ATOM 316 CG MET A 972 -27.409 -10.330 -18.374 0.00 0.00 -0.005 C -ATOM 317 SD MET A 972 -26.198 -11.446 -19.124 0.00 0.00 -0.165 SA -ATOM 318 CE MET A 972 -27.313 -12.771 -19.659 0.00 0.00 -0.018 C -ATOM 319 H MET A 972 -26.182 -7.072 -16.408 0.00 0.00 0.164 HD -ATOM 320 HA MET A 972 -25.247 -8.393 -18.766 0.00 0.00 0.063 H -ATOM 321 HB3 MET A 972 -27.640 -8.783 -16.941 0.00 0.00 0.030 H -ATOM 322 HB2 MET A 972 -26.111 -9.588 -16.842 0.00 0.00 0.030 H -ATOM 323 HG3 MET A 972 -28.089 -9.966 -19.141 0.00 0.00 0.038 H -ATOM 324 HG2 MET A 972 -28.011 -10.939 -17.700 0.00 0.00 0.038 H -ATOM 325 HE1 MET A 972 -26.747 -13.584 -20.110 0.00 0.00 0.034 H -ATOM 326 HE2 MET A 972 -27.867 -13.174 -18.812 0.00 0.00 0.034 H -ATOM 327 HE3 MET A 972 -28.029 -12.405 -20.392 0.00 0.00 0.034 H -ATOM 328 N GLN A 973 -28.070 -6.658 -19.091 0.00 0.00 -0.343 N -ATOM 329 CA GLN A 973 -28.996 -6.028 -20.036 0.00 0.00 0.108 C -ATOM 330 C GLN A 973 -28.368 -4.868 -20.836 0.00 0.00 0.243 C -ATOM 331 O GLN A 973 -28.534 -4.833 -22.055 0.00 0.00 -0.273 OA -ATOM 332 CB GLN A 973 -30.261 -5.548 -19.285 0.00 0.00 -0.015 C -ATOM 333 CG GLN A 973 -31.082 -6.654 -18.583 0.00 0.00 0.029 C -ATOM 334 CD GLN A 973 -31.968 -7.515 -19.485 0.00 0.00 0.217 C -ATOM 335 NE2 GLN A 973 -32.860 -8.281 -18.856 0.00 0.00 -0.370 N -ATOM 336 OE1 GLN A 973 -31.850 -7.514 -20.708 0.00 0.00 -0.275 OA -ATOM 337 H GLN A 973 -28.289 -6.539 -18.109 0.00 0.00 0.164 HD -ATOM 338 HA GLN A 973 -29.294 -6.790 -20.758 0.00 0.00 0.063 H -ATOM 339 HB3 GLN A 973 -30.912 -4.990 -19.960 0.00 0.00 0.030 H -ATOM 340 HB2 GLN A 973 -29.954 -4.831 -18.521 0.00 0.00 0.030 H -ATOM 341 HG3 GLN A 973 -31.726 -6.182 -17.840 0.00 0.00 0.037 H -ATOM 342 HG2 GLN A 973 -30.434 -7.333 -18.034 0.00 0.00 0.037 H -ATOM 343 HE22 GLN A 973 -33.475 -8.889 -19.381 0.00 0.00 0.159 HD -ATOM 344 HE21 GLN A 973 -32.938 -8.257 -17.846 0.00 0.00 0.159 HD -ATOM 345 N SER A 974 -27.668 -3.944 -20.153 0.00 0.00 -0.340 N -ATOM 346 CA SER A 974 -27.125 -2.710 -20.741 0.00 0.00 0.131 C -ATOM 347 C SER A 974 -25.921 -2.895 -21.688 0.00 0.00 0.245 C -ATOM 348 O SER A 974 -25.601 -1.952 -22.413 0.00 0.00 -0.273 OA -ATOM 349 CB SER A 974 -26.827 -1.685 -19.626 0.00 0.00 0.072 C -ATOM 350 OG SER A 974 -25.673 -2.018 -18.878 0.00 0.00 -0.394 OA -ATOM 351 H SER A 974 -27.566 -4.035 -19.150 0.00 0.00 0.164 HD -ATOM 352 HA SER A 974 -27.925 -2.282 -21.350 0.00 0.00 0.066 H -ATOM 353 HB3 SER A 974 -27.679 -1.589 -18.951 0.00 0.00 0.059 H -ATOM 354 HB2 SER A 974 -26.668 -0.697 -20.060 0.00 0.00 0.059 H -ATOM 355 HG SER A 974 -25.942 -2.626 -18.180 0.00 0.00 0.210 HD -ATOM 356 N THR A 975 -25.284 -4.077 -21.678 0.00 0.00 -0.340 N -ATOM 357 CA THR A 975 -24.147 -4.410 -22.542 0.00 0.00 0.134 C -ATOM 358 C THR A 975 -24.553 -5.344 -23.711 0.00 0.00 0.245 C -ATOM 359 O THR A 975 -23.678 -5.953 -24.330 0.00 0.00 -0.273 OA -ATOM 360 CB THR A 975 -22.978 -5.029 -21.729 0.00 0.00 0.080 C -ATOM 361 CG2 THR A 975 -22.483 -4.138 -20.580 0.00 0.00 -0.036 C -ATOM 362 OG1 THR A 975 -23.273 -6.327 -21.246 0.00 0.00 -0.391 OA -ATOM 363 H THR A 975 -25.595 -4.805 -21.050 0.00 0.00 0.164 HD -ATOM 364 HA THR A 975 -23.757 -3.505 -23.011 0.00 0.00 0.066 H -ATOM 365 HB THR A 975 -22.124 -5.125 -22.395 0.00 0.00 0.062 H -ATOM 366 HG21 THR A 975 -21.706 -4.640 -20.003 0.00 0.00 0.026 H -ATOM 367 HG22 THR A 975 -22.050 -3.218 -20.969 0.00 0.00 0.026 H -ATOM 368 HG23 THR A 975 -23.278 -3.855 -19.892 0.00 0.00 0.026 H -ATOM 369 HG1 THR A 975 -23.726 -6.236 -20.401 0.00 0.00 0.211 HD -ATOM 370 N VAL A 976 -25.854 -5.389 -24.055 0.00 0.00 -0.342 N -ATOM 371 CA VAL A 976 -26.332 -6.000 -25.298 0.00 0.00 0.110 C -ATOM 372 C VAL A 976 -26.097 -5.047 -26.488 0.00 0.00 0.243 C -ATOM 373 O VAL A 976 -26.357 -3.849 -26.370 0.00 0.00 -0.273 OA -ATOM 374 CB VAL A 976 -27.842 -6.379 -25.234 0.00 0.00 -0.018 C -ATOM 375 CG1 VAL A 976 -28.427 -6.882 -26.575 0.00 0.00 -0.060 C -ATOM 376 CG2 VAL A 976 -28.087 -7.447 -24.158 0.00 0.00 -0.060 C -ATOM 377 H VAL A 976 -26.536 -4.874 -23.516 0.00 0.00 0.164 HD -ATOM 378 HA VAL A 976 -25.770 -6.917 -25.459 0.00 0.00 0.063 H -ATOM 379 HB VAL A 976 -28.410 -5.495 -24.941 0.00 0.00 0.032 H -ATOM 380 HG11 VAL A 976 -29.417 -7.314 -26.438 0.00 0.00 0.023 H -ATOM 381 HG12 VAL A 976 -28.531 -6.080 -27.306 0.00 0.00 0.023 H -ATOM 382 HG13 VAL A 976 -27.799 -7.657 -27.015 0.00 0.00 0.023 H -ATOM 383 HG21 VAL A 976 -29.145 -7.699 -24.077 0.00 0.00 0.023 H -ATOM 384 HG22 VAL A 976 -27.542 -8.361 -24.393 0.00 0.00 0.023 H -ATOM 385 HG23 VAL A 976 -27.759 -7.116 -23.174 0.00 0.00 0.023 H -ATOM 386 N ARG A 977 -25.631 -5.612 -27.612 0.00 0.00 -0.343 N -ATOM 387 CA ARG A 977 -25.455 -4.918 -28.886 0.00 0.00 0.108 C -ATOM 388 C ARG A 977 -25.816 -5.852 -30.048 0.00 0.00 0.243 C -ATOM 389 O ARG A 977 -25.781 -7.076 -29.896 0.00 0.00 -0.273 OA -ATOM 390 CB ARG A 977 -24.010 -4.382 -29.018 0.00 0.00 -0.021 C -ATOM 391 CG ARG A 977 -22.892 -5.442 -29.107 0.00 0.00 -0.020 C -ATOM 392 CD ARG A 977 -21.544 -4.799 -29.455 0.00 0.00 0.064 C -ATOM 393 NE ARG A 977 -20.467 -5.785 -29.621 0.00 0.00 -0.278 N -ATOM 394 CZ ARG A 977 -20.187 -6.495 -30.725 0.00 0.00 0.338 C -ATOM 395 NH1 ARG A 977 -20.939 -6.400 -31.830 0.00 0.00 -0.291 N -ATOM 396 NH2 ARG A 977 -19.124 -7.307 -30.722 0.00 0.00 -0.291 N -ATOM 397 H ARG A 977 -25.432 -6.603 -27.630 0.00 0.00 0.164 HD -ATOM 398 HA ARG A 977 -26.139 -4.069 -28.931 0.00 0.00 0.063 H -ATOM 399 HB3 ARG A 977 -23.796 -3.696 -28.197 0.00 0.00 0.029 H -ATOM 400 HB2 ARG A 977 -23.966 -3.772 -29.920 0.00 0.00 0.029 H -ATOM 401 HG3 ARG A 977 -23.104 -6.236 -29.821 0.00 0.00 0.030 H -ATOM 402 HG2 ARG A 977 -22.823 -5.919 -28.130 0.00 0.00 0.030 H -ATOM 403 HD3 ARG A 977 -21.243 -4.214 -28.586 0.00 0.00 0.066 H -ATOM 404 HD2 ARG A 977 -21.600 -4.089 -30.280 0.00 0.00 0.066 H -ATOM 405 HE ARG A 977 -19.898 -5.940 -28.797 0.00 0.00 0.260 HD -ATOM 406 HH12 ARG A 977 -20.714 -6.943 -32.649 0.00 0.00 0.256 HD -ATOM 407 HH11 ARG A 977 -21.771 -5.823 -31.830 0.00 0.00 0.256 HD -ATOM 408 HH22 ARG A 977 -18.910 -7.881 -31.524 0.00 0.00 0.256 HD -ATOM 409 HH21 ARG A 977 -18.520 -7.347 -29.907 0.00 0.00 0.256 HD -ATOM 410 N GLU A 978 -26.087 -5.243 -31.214 0.00 0.00 -0.343 N -ATOM 411 CA GLU A 978 -26.176 -5.933 -32.501 0.00 0.00 0.108 C -ATOM 412 C GLU A 978 -24.793 -6.437 -32.944 0.00 0.00 0.243 C -ATOM 413 O GLU A 978 -23.789 -5.775 -32.675 0.00 0.00 -0.273 OA -ATOM 414 CB GLU A 978 -26.756 -4.981 -33.564 0.00 0.00 -0.018 C -ATOM 415 CG GLU A 978 -28.215 -4.571 -33.290 0.00 0.00 -0.011 C -ATOM 416 CD GLU A 978 -28.814 -3.715 -34.408 0.00 0.00 0.041 C -ATOM 417 OE1 GLU A 978 -28.084 -2.841 -34.926 0.00 0.00 -0.550 OA -ATOM 418 OE2 GLU A 978 -30.001 -3.947 -34.722 0.00 0.00 -0.550 O -ATOM 419 H GLU A 978 -26.096 -4.233 -31.256 0.00 0.00 0.164 HD -ATOM 420 HA GLU A 978 -26.843 -6.792 -32.393 0.00 0.00 0.063 H -ATOM 421 HB3 GLU A 978 -26.701 -5.455 -34.546 0.00 0.00 0.030 H -ATOM 422 HB2 GLU A 978 -26.131 -4.088 -33.629 0.00 0.00 0.030 H -ATOM 423 HG3 GLU A 978 -28.286 -4.010 -32.359 0.00 0.00 0.033 H -ATOM 424 HG2 GLU A 978 -28.829 -5.464 -33.170 0.00 0.00 0.033 H -ATOM 425 N HIS A 979 -24.774 -7.592 -33.623 0.00 0.00 -0.342 N -ATOM 426 CA HIS A 979 -23.553 -8.227 -34.114 0.00 0.00 0.115 C -ATOM 427 C HIS A 979 -23.511 -8.258 -35.643 0.00 0.00 0.243 C -ATOM 428 O HIS A 979 -24.554 -8.280 -36.299 0.00 0.00 -0.273 OA -ATOM 429 CB HIS A 979 -23.409 -9.630 -33.493 0.00 0.00 0.042 C -ATOM 430 CG HIS A 979 -22.785 -9.580 -32.122 0.00 0.00 0.142 A -ATOM 431 CD2 HIS A 979 -21.519 -9.916 -31.696 0.00 0.00 0.130 A -ATOM 432 ND1 HIS A 979 -23.438 -9.092 -31.002 0.00 0.00 -0.248 N -ATOM 433 CE1 HIS A 979 -22.563 -9.135 -29.996 0.00 0.00 0.239 A -ATOM 434 NE2 HIS A 979 -21.381 -9.625 -30.341 0.00 0.00 -0.250 N -ATOM 435 H HIS A 979 -25.639 -8.072 -33.830 0.00 0.00 0.164 HD -ATOM 436 HA HIS A 979 -22.676 -7.650 -33.814 0.00 0.00 0.064 H -ATOM 437 HB3 HIS A 979 -22.770 -10.262 -34.110 0.00 0.00 0.038 H -ATOM 438 HB2 HIS A 979 -24.373 -10.139 -33.437 0.00 0.00 0.038 H -ATOM 439 HD2 HIS A 979 -20.695 -10.323 -32.262 0.00 0.00 0.114 H -ATOM 440 HD1 HIS A 979 -24.383 -8.733 -30.955 0.00 0.00 0.311 HD -ATOM 441 HE1 HIS A 979 -22.780 -8.784 -29.003 0.00 0.00 0.160 H -ATOM 442 N ARG A 980 -22.272 -8.259 -36.163 0.00 0.00 -0.343 N -ATOM 443 CA ARG A 980 -21.907 -8.227 -37.583 0.00 0.00 0.108 C -ATOM 444 C ARG A 980 -22.390 -9.440 -38.400 0.00 0.00 0.243 C -ATOM 445 O ARG A 980 -22.459 -9.330 -39.624 0.00 0.00 -0.273 OA -ATOM 446 CB ARG A 980 -20.372 -8.093 -37.675 0.00 0.00 -0.021 C -ATOM 447 CG ARG A 980 -19.839 -6.725 -37.200 0.00 0.00 -0.020 C -ATOM 448 CD ARG A 980 -18.323 -6.711 -36.942 0.00 0.00 0.064 C -ATOM 449 NE ARG A 980 -17.528 -6.938 -38.159 0.00 0.00 -0.278 N -ATOM 450 CZ ARG A 980 -17.187 -6.018 -39.076 0.00 0.00 0.338 C -ATOM 451 NH1 ARG A 980 -17.573 -4.739 -38.962 0.00 0.00 -0.291 N -ATOM 452 NH2 ARG A 980 -16.443 -6.389 -40.125 0.00 0.00 -0.291 N -ATOM 453 H ARG A 980 -21.490 -8.260 -35.526 0.00 0.00 0.164 HD -ATOM 454 HA ARG A 980 -22.368 -7.337 -38.014 0.00 0.00 0.063 H -ATOM 455 HB3 ARG A 980 -20.033 -8.252 -38.700 0.00 0.00 0.029 H -ATOM 456 HB2 ARG A 980 -19.921 -8.893 -37.084 0.00 0.00 0.029 H -ATOM 457 HG3 ARG A 980 -20.338 -6.380 -36.294 0.00 0.00 0.030 H -ATOM 458 HG2 ARG A 980 -20.088 -5.996 -37.971 0.00 0.00 0.030 H -ATOM 459 HD3 ARG A 980 -18.093 -7.565 -36.304 0.00 0.00 0.066 H -ATOM 460 HD2 ARG A 980 -18.000 -5.833 -36.384 0.00 0.00 0.066 H -ATOM 461 HE ARG A 980 -17.253 -7.896 -38.324 0.00 0.00 0.260 HD -ATOM 462 HH12 ARG A 980 -17.317 -4.058 -39.662 0.00 0.00 0.256 HD -ATOM 463 HH11 ARG A 980 -18.144 -4.453 -38.180 0.00 0.00 0.256 HD -ATOM 464 HH22 ARG A 980 -16.176 -5.714 -40.828 0.00 0.00 0.256 HD -ATOM 465 HH21 ARG A 980 -16.139 -7.347 -40.225 0.00 0.00 0.256 HD -ATOM 466 N ASP A 981 -22.726 -10.554 -37.728 0.00 0.00 -0.342 N -ATOM 467 CA ASP A 981 -23.265 -11.770 -38.344 0.00 0.00 0.113 C -ATOM 468 C ASP A 981 -24.787 -11.693 -38.609 0.00 0.00 0.243 C -ATOM 469 O ASP A 981 -25.327 -12.611 -39.225 0.00 0.00 -0.273 OA -ATOM 470 CB ASP A 981 -22.913 -13.039 -37.530 0.00 0.00 0.016 C -ATOM 471 CG ASP A 981 -23.360 -13.082 -36.059 0.00 0.00 0.044 C -ATOM 472 OD1 ASP A 981 -24.035 -12.139 -35.589 0.00 0.00 -0.550 OA -ATOM 473 OD2 ASP A 981 -23.037 -14.102 -35.416 0.00 0.00 -0.550 O -ATOM 474 H ASP A 981 -22.673 -10.566 -36.719 0.00 0.00 0.164 HD -ATOM 475 HA ASP A 981 -22.795 -11.888 -39.322 0.00 0.00 0.064 H -ATOM 476 HB3 ASP A 981 -21.828 -13.139 -37.537 0.00 0.00 0.036 H -ATOM 477 HB2 ASP A 981 -23.311 -13.906 -38.051 0.00 0.00 0.036 H -ATOM 478 N GLY A 982 -25.454 -10.630 -38.122 0.00 0.00 -0.345 N -ATOM 479 CA GLY A 982 -26.901 -10.445 -38.216 0.00 0.00 0.097 C -ATOM 480 C GLY A 982 -27.665 -11.268 -37.163 0.00 0.00 0.239 C -ATOM 481 O GLY A 982 -28.882 -11.401 -37.285 0.00 0.00 -0.273 OA -ATOM 482 H GLY A 982 -24.939 -9.919 -37.621 0.00 0.00 0.164 HD -ATOM 483 HA3 GLY A 982 -27.256 -10.704 -39.215 0.00 0.00 0.059 H -ATOM 484 HA2 GLY A 982 -27.125 -9.389 -38.063 0.00 0.00 0.059 H -ATOM 485 N GLY A 983 -26.973 -11.823 -36.151 0.00 0.00 -0.346 N -ATOM 486 CA GLY A 983 -27.569 -12.668 -35.120 0.00 0.00 0.097 C -ATOM 487 C GLY A 983 -27.415 -14.162 -35.445 0.00 0.00 0.240 C -ATOM 488 O GLY A 983 -28.181 -14.957 -34.909 0.00 0.00 -0.273 OA -ATOM 489 H GLY A 983 -25.971 -11.683 -36.099 0.00 0.00 0.164 HD -ATOM 490 HA3 GLY A 983 -28.623 -12.432 -34.966 0.00 0.00 0.059 H -ATOM 491 HA2 GLY A 983 -27.073 -12.460 -34.175 0.00 0.00 0.059 H -ATOM 492 N HIS A 984 -26.470 -14.562 -36.317 0.00 0.00 -0.342 N -ATOM 493 CA HIS A 984 -26.260 -15.961 -36.710 0.00 0.00 0.115 C -ATOM 494 C HIS A 984 -25.793 -16.867 -35.554 0.00 0.00 0.243 C -ATOM 495 O HIS A 984 -26.352 -17.952 -35.398 0.00 0.00 -0.273 OA -ATOM 496 CB HIS A 984 -25.286 -16.045 -37.900 0.00 0.00 0.042 C -ATOM 497 CG HIS A 984 -25.193 -17.408 -38.544 0.00 0.00 0.142 A -ATOM 498 CD2 HIS A 984 -25.994 -18.036 -39.472 0.00 0.00 0.130 A -ATOM 499 ND1 HIS A 984 -24.170 -18.301 -38.273 0.00 0.00 -0.248 N -ATOM 500 CE1 HIS A 984 -24.392 -19.393 -39.008 0.00 0.00 0.239 A -ATOM 501 NE2 HIS A 984 -25.485 -19.305 -39.758 0.00 0.00 -0.250 N -ATOM 502 H HIS A 984 -25.865 -13.876 -36.746 0.00 0.00 0.164 HD -ATOM 503 HA HIS A 984 -27.227 -16.335 -37.056 0.00 0.00 0.064 H -ATOM 504 HB3 HIS A 984 -24.285 -15.770 -37.571 0.00 0.00 0.038 H -ATOM 505 HB2 HIS A 984 -25.571 -15.329 -38.670 0.00 0.00 0.038 H -ATOM 506 HD2 HIS A 984 -26.896 -17.678 -39.946 0.00 0.00 0.114 H -ATOM 507 HD1 HIS A 984 -23.383 -18.156 -37.649 0.00 0.00 0.311 HD -ATOM 508 HE1 HIS A 984 -23.748 -20.260 -38.993 0.00 0.00 0.160 H -ATOM 509 N ALA A 985 -24.785 -16.420 -34.786 0.00 0.00 -0.343 N -ATOM 510 CA ALA A 985 -24.163 -17.209 -33.723 0.00 0.00 0.105 C -ATOM 511 C ALA A 985 -24.971 -17.234 -32.417 0.00 0.00 0.242 C -ATOM 512 O ALA A 985 -25.121 -18.308 -31.840 0.00 0.00 -0.273 OA -ATOM 513 CB ALA A 985 -22.739 -16.699 -33.466 0.00 0.00 -0.036 C -ATOM 514 H ALA A 985 -24.359 -15.521 -34.982 0.00 0.00 0.164 HD -ATOM 515 HA ALA A 985 -24.074 -18.236 -34.076 0.00 0.00 0.063 H -ATOM 516 HB1 ALA A 985 -22.234 -17.304 -32.712 0.00 0.00 0.026 H -ATOM 517 HB2 ALA A 985 -22.135 -16.739 -34.372 0.00 0.00 0.026 H -ATOM 518 HB3 ALA A 985 -22.742 -15.666 -33.119 0.00 0.00 0.026 H -ATOM 519 N GLY A 986 -25.453 -16.066 -31.964 0.00 0.00 -0.345 N -ATOM 520 CA GLY A 986 -26.097 -15.909 -30.659 0.00 0.00 0.097 C -ATOM 521 C GLY A 986 -27.609 -15.657 -30.759 0.00 0.00 0.239 C -ATOM 522 O GLY A 986 -28.265 -15.597 -29.721 0.00 0.00 -0.273 OA -ATOM 523 H GLY A 986 -25.286 -15.219 -32.494 0.00 0.00 0.164 HD -ATOM 524 HA3 GLY A 986 -25.633 -15.063 -30.159 0.00 0.00 0.059 H -ATOM 525 HA2 GLY A 986 -25.923 -16.766 -30.007 0.00 0.00 0.059 H -ATOM 526 N GLY A 987 -28.177 -15.513 -31.965 0.00 0.00 -0.346 N -ATOM 527 CA GLY A 987 -29.604 -15.256 -32.163 0.00 0.00 0.097 C -ATOM 528 C GLY A 987 -29.897 -13.755 -32.273 0.00 0.00 0.240 C -ATOM 529 O GLY A 987 -29.033 -12.909 -32.038 0.00 0.00 -0.273 OA -ATOM 530 H GLY A 987 -27.605 -15.568 -32.796 0.00 0.00 0.164 HD -ATOM 531 HA3 GLY A 987 -30.197 -15.662 -31.346 0.00 0.00 0.059 H -ATOM 532 HA2 GLY A 987 -29.926 -15.757 -33.074 0.00 0.00 0.059 H -ATOM 533 N ILE A 988 -31.152 -13.447 -32.632 0.00 0.00 -0.343 N -ATOM 534 CA ILE A 988 -31.679 -12.092 -32.805 0.00 0.00 0.110 C -ATOM 535 C ILE A 988 -32.469 -11.693 -31.543 0.00 0.00 0.243 C -ATOM 536 O ILE A 988 -33.474 -12.333 -31.234 0.00 0.00 -0.273 OA -ATOM 537 CB ILE A 988 -32.601 -12.030 -34.064 0.00 0.00 -0.015 C -ATOM 538 CG1 ILE A 988 -31.765 -12.215 -35.354 0.00 0.00 -0.051 C -ATOM 539 CG2 ILE A 988 -33.464 -10.753 -34.174 0.00 0.00 -0.060 C -ATOM 540 CD1 ILE A 988 -32.602 -12.496 -36.611 0.00 0.00 -0.065 C -ATOM 541 H ILE A 988 -31.809 -14.196 -32.807 0.00 0.00 0.164 HD -ATOM 542 HA ILE A 988 -30.860 -11.384 -32.947 0.00 0.00 0.064 H -ATOM 543 HB ILE A 988 -33.291 -12.874 -34.006 0.00 0.00 0.033 H -ATOM 544 HG13 ILE A 988 -31.057 -13.035 -35.233 0.00 0.00 0.027 H -ATOM 545 HG12 ILE A 988 -31.154 -11.327 -35.519 0.00 0.00 0.027 H -ATOM 546 HG21 ILE A 988 -34.042 -10.737 -35.097 0.00 0.00 0.023 H -ATOM 547 HG22 ILE A 988 -34.190 -10.683 -33.367 0.00 0.00 0.023 H -ATOM 548 HG23 ILE A 988 -32.847 -9.854 -34.157 0.00 0.00 0.023 H -ATOM 549 HD11 ILE A 988 -32.008 -13.014 -37.363 0.00 0.00 0.023 H -ATOM 550 HD12 ILE A 988 -33.467 -13.121 -36.388 0.00 0.00 0.023 H -ATOM 551 HD13 ILE A 988 -32.960 -11.570 -37.061 0.00 0.00 0.023 H -ATOM 552 N PHE A 989 -31.992 -10.653 -30.840 0.00 0.00 -0.342 N -ATOM 553 CA PHE A 989 -32.559 -10.152 -29.583 0.00 0.00 0.112 C -ATOM 554 C PHE A 989 -31.963 -8.776 -29.252 0.00 0.00 0.243 C -ATOM 555 O PHE A 989 -30.816 -8.499 -29.608 0.00 0.00 -0.273 OA -ATOM 556 CB PHE A 989 -32.323 -11.159 -28.425 0.00 0.00 0.002 C -ATOM 557 CG PHE A 989 -30.876 -11.350 -28.004 0.00 0.00 -0.045 A -ATOM 558 CD1 PHE A 989 -30.036 -12.180 -28.771 0.00 0.00 -0.059 A -ATOM 559 CD2 PHE A 989 -30.311 -10.561 -26.978 0.00 0.00 -0.059 A -ATOM 560 CE1 PHE A 989 -28.679 -12.227 -28.504 0.00 0.00 -0.062 A -ATOM 561 CE2 PHE A 989 -28.949 -10.632 -26.719 0.00 0.00 -0.062 A -ATOM 562 CZ PHE A 989 -28.136 -11.465 -27.477 0.00 0.00 -0.062 A -ATOM 563 H PHE A 989 -31.171 -10.163 -31.166 0.00 0.00 0.164 HD -ATOM 564 HA PHE A 989 -33.632 -10.026 -29.726 0.00 0.00 0.064 H -ATOM 565 HB3 PHE A 989 -32.740 -12.130 -28.690 0.00 0.00 0.034 H -ATOM 566 HB2 PHE A 989 -32.882 -10.835 -27.547 0.00 0.00 0.034 H -ATOM 567 HD1 PHE A 989 -30.442 -12.765 -29.581 0.00 0.00 0.063 H -ATOM 568 HD2 PHE A 989 -30.928 -9.886 -26.405 0.00 0.00 0.063 H -ATOM 569 HE1 PHE A 989 -28.048 -12.856 -29.112 0.00 0.00 0.062 H -ATOM 570 HE2 PHE A 989 -28.519 -10.028 -25.936 0.00 0.00 0.062 H -ATOM 571 HZ PHE A 989 -27.077 -11.512 -27.274 0.00 0.00 0.062 H -ATOM 572 N ASN A 990 -32.746 -7.970 -28.519 0.00 0.00 -0.342 N -ATOM 573 CA ASN A 990 -32.337 -6.670 -27.975 0.00 0.00 0.116 C -ATOM 574 C ASN A 990 -32.222 -6.705 -26.440 0.00 0.00 0.243 C -ATOM 575 O ASN A 990 -31.654 -5.771 -25.875 0.00 0.00 -0.273 OA -ATOM 576 CB ASN A 990 -33.360 -5.587 -28.395 0.00 0.00 0.056 C -ATOM 577 CG ASN A 990 -33.482 -5.399 -29.911 0.00 0.00 0.220 C -ATOM 578 ND2 ASN A 990 -34.701 -5.170 -30.400 0.00 0.00 -0.370 N -ATOM 579 OD1 ASN A 990 -32.489 -5.446 -30.635 0.00 0.00 -0.275 OA -ATOM 580 H ASN A 990 -33.686 -8.265 -28.287 0.00 0.00 0.164 HD -ATOM 581 HA ASN A 990 -31.352 -6.384 -28.349 0.00 0.00 0.064 H -ATOM 582 HB3 ASN A 990 -33.067 -4.621 -27.980 0.00 0.00 0.039 H -ATOM 583 HB2 ASN A 990 -34.340 -5.817 -27.973 0.00 0.00 0.039 H -ATOM 584 HD22 ASN A 990 -34.828 -5.029 -31.392 0.00 0.00 0.159 HD -ATOM 585 HD21 ASN A 990 -35.502 -5.127 -29.787 0.00 0.00 0.159 HD -ATOM 586 N ARG A 991 -32.750 -7.757 -25.790 0.00 0.00 -0.343 N -ATOM 587 CA ARG A 991 -32.814 -7.898 -24.335 0.00 0.00 0.108 C -ATOM 588 C ARG A 991 -33.034 -9.368 -23.944 0.00 0.00 0.243 C -ATOM 589 O ARG A 991 -33.373 -10.196 -24.794 0.00 0.00 -0.273 OA -ATOM 590 CB ARG A 991 -33.905 -6.959 -23.757 0.00 0.00 -0.021 C -ATOM 591 CG ARG A 991 -35.344 -7.215 -24.250 0.00 0.00 -0.020 C -ATOM 592 CD ARG A 991 -36.296 -6.059 -23.904 0.00 0.00 0.064 C -ATOM 593 NE ARG A 991 -37.698 -6.351 -24.240 0.00 0.00 -0.278 N -ATOM 594 CZ ARG A 991 -38.664 -6.729 -23.384 0.00 0.00 0.338 C -ATOM 595 NH1 ARG A 991 -38.411 -6.917 -22.081 0.00 0.00 -0.291 N -ATOM 596 NH2 ARG A 991 -39.910 -6.913 -23.839 0.00 0.00 -0.291 N -ATOM 597 H ARG A 991 -33.183 -8.503 -26.316 0.00 0.00 0.164 HD -ATOM 598 HA ARG A 991 -31.845 -7.606 -23.922 0.00 0.00 0.063 H -ATOM 599 HB3 ARG A 991 -33.637 -5.931 -24.001 0.00 0.00 0.029 H -ATOM 600 HB2 ARG A 991 -33.886 -7.006 -22.668 0.00 0.00 0.029 H -ATOM 601 HG3 ARG A 991 -35.742 -8.184 -23.953 0.00 0.00 0.030 H -ATOM 602 HG2 ARG A 991 -35.288 -7.236 -25.338 0.00 0.00 0.030 H -ATOM 603 HD3 ARG A 991 -36.059 -5.264 -24.611 0.00 0.00 0.066 H -ATOM 604 HD2 ARG A 991 -36.137 -5.616 -22.920 0.00 0.00 0.066 H -ATOM 605 HE ARG A 991 -37.938 -6.283 -25.219 0.00 0.00 0.260 HD -ATOM 606 HH12 ARG A 991 -39.148 -7.184 -21.447 0.00 0.00 0.256 HD -ATOM 607 HH11 ARG A 991 -37.464 -6.831 -21.727 0.00 0.00 0.256 HD -ATOM 608 HH22 ARG A 991 -40.651 -7.183 -23.210 0.00 0.00 0.256 HD -ATOM 609 HH21 ARG A 991 -40.140 -6.766 -24.815 0.00 0.00 0.256 HD -ATOM 610 N TYR A 992 -32.828 -9.648 -22.649 0.00 0.00 -0.342 N -ATOM 611 CA TYR A 992 -32.983 -10.968 -22.038 0.00 0.00 0.112 C -ATOM 612 C TYR A 992 -34.169 -10.986 -21.066 0.00 0.00 0.243 C -ATOM 613 O TYR A 992 -34.565 -9.942 -20.548 0.00 0.00 -0.273 OA -ATOM 614 CB TYR A 992 -31.713 -11.315 -21.237 0.00 0.00 0.002 C -ATOM 615 CG TYR A 992 -30.400 -11.216 -21.986 0.00 0.00 -0.045 A -ATOM 616 CD1 TYR A 992 -30.088 -12.134 -23.009 0.00 0.00 -0.055 A -ATOM 617 CD2 TYR A 992 -29.469 -10.220 -21.632 0.00 0.00 -0.055 A -ATOM 618 CE1 TYR A 992 -28.833 -12.084 -23.646 0.00 0.00 -0.020 A -ATOM 619 CE2 TYR A 992 -28.219 -10.174 -22.270 0.00 0.00 -0.020 A -ATOM 620 CZ TYR A 992 -27.895 -11.107 -23.271 0.00 0.00 0.115 A -ATOM 621 OH TYR A 992 -26.676 -11.058 -23.878 0.00 0.00 -0.508 OA -ATOM 622 H TYR A 992 -32.545 -8.906 -22.021 0.00 0.00 0.164 HD -ATOM 623 HA TYR A 992 -33.143 -11.728 -22.804 0.00 0.00 0.064 H -ATOM 624 HB3 TYR A 992 -31.791 -12.330 -20.846 0.00 0.00 0.034 H -ATOM 625 HB2 TYR A 992 -31.647 -10.668 -20.359 0.00 0.00 0.034 H -ATOM 626 HD1 TYR A 992 -30.802 -12.893 -23.291 0.00 0.00 0.063 H -ATOM 627 HD2 TYR A 992 -29.700 -9.501 -20.859 0.00 0.00 0.063 H -ATOM 628 HE1 TYR A 992 -28.584 -12.799 -24.417 0.00 0.00 0.066 H -ATOM 629 HE2 TYR A 992 -27.510 -9.418 -21.984 0.00 0.00 0.066 H -ATOM 630 HH TYR A 992 -26.104 -10.378 -23.507 0.00 0.00 0.293 HD -ATOM 631 N ASN A 993 -34.658 -12.203 -20.790 0.00 0.00 -0.342 N -ATOM 632 CA ASN A 993 -35.530 -12.530 -19.670 0.00 0.00 0.116 C -ATOM 633 C ASN A 993 -34.673 -13.349 -18.694 0.00 0.00 0.243 C -ATOM 634 O ASN A 993 -34.456 -14.536 -18.933 0.00 0.00 -0.273 OA -ATOM 635 CB ASN A 993 -36.767 -13.292 -20.206 0.00 0.00 0.056 C -ATOM 636 CG ASN A 993 -37.722 -13.809 -19.122 0.00 0.00 0.220 C -ATOM 637 ND2 ASN A 993 -38.125 -12.949 -18.183 0.00 0.00 -0.370 N -ATOM 638 OD1 ASN A 993 -38.102 -14.976 -19.140 0.00 0.00 -0.275 OA -ATOM 639 H ASN A 993 -34.275 -13.001 -21.282 0.00 0.00 0.164 HD -ATOM 640 HA ASN A 993 -35.869 -11.616 -19.183 0.00 0.00 0.064 H -ATOM 641 HB3 ASN A 993 -36.448 -14.141 -20.813 0.00 0.00 0.039 H -ATOM 642 HB2 ASN A 993 -37.339 -12.647 -20.872 0.00 0.00 0.039 H -ATOM 643 HD22 ASN A 993 -38.741 -13.264 -17.447 0.00 0.00 0.159 HD -ATOM 644 HD21 ASN A 993 -37.815 -11.988 -18.186 0.00 0.00 0.159 HD -ATOM 645 N ILE A 994 -34.176 -12.685 -17.638 0.00 0.00 -0.342 N -ATOM 646 CA ILE A 994 -33.338 -13.297 -16.607 0.00 0.00 0.110 C -ATOM 647 C ILE A 994 -34.214 -14.147 -15.673 0.00 0.00 0.243 C -ATOM 648 O ILE A 994 -35.131 -13.619 -15.044 0.00 0.00 -0.273 OA -ATOM 649 CB ILE A 994 -32.573 -12.235 -15.761 0.00 0.00 -0.015 C -ATOM 650 CG1 ILE A 994 -31.765 -11.248 -16.636 0.00 0.00 -0.051 C -ATOM 651 CG2 ILE A 994 -31.664 -12.864 -14.681 0.00 0.00 -0.060 C -ATOM 652 CD1 ILE A 994 -30.817 -11.882 -17.663 0.00 0.00 -0.065 C -ATOM 653 H ILE A 994 -34.412 -11.709 -17.500 0.00 0.00 0.164 HD -ATOM 654 HA ILE A 994 -32.607 -13.948 -17.089 0.00 0.00 0.064 H -ATOM 655 HB ILE A 994 -33.309 -11.628 -15.231 0.00 0.00 0.033 H -ATOM 656 HG13 ILE A 994 -31.186 -10.589 -15.991 0.00 0.00 0.027 H -ATOM 657 HG12 ILE A 994 -32.456 -10.596 -17.170 0.00 0.00 0.027 H -ATOM 658 HG21 ILE A 994 -31.102 -12.095 -14.149 0.00 0.00 0.023 H -ATOM 659 HG22 ILE A 994 -32.231 -13.410 -13.927 0.00 0.00 0.023 H -ATOM 660 HG23 ILE A 994 -30.945 -13.556 -15.118 0.00 0.00 0.023 H -ATOM 661 HD11 ILE A 994 -30.263 -11.108 -18.192 0.00 0.00 0.023 H -ATOM 662 HD12 ILE A 994 -30.097 -12.550 -17.191 0.00 0.00 0.023 H -ATOM 663 HD13 ILE A 994 -31.366 -12.445 -18.415 0.00 0.00 0.023 H -ATOM 664 N LEU A 995 -33.919 -15.452 -15.632 0.00 0.00 -0.343 N -ATOM 665 CA LEU A 995 -34.686 -16.452 -14.895 0.00 0.00 0.108 C -ATOM 666 C LEU A 995 -34.167 -16.635 -13.462 0.00 0.00 0.243 C -ATOM 667 O LEU A 995 -34.975 -16.898 -12.573 0.00 0.00 -0.273 OA -ATOM 668 CB LEU A 995 -34.625 -17.794 -15.655 0.00 0.00 -0.021 C -ATOM 669 CG LEU A 995 -35.224 -17.752 -17.079 0.00 0.00 -0.045 C -ATOM 670 CD1 LEU A 995 -34.932 -19.066 -17.827 0.00 0.00 -0.063 C -ATOM 671 CD2 LEU A 995 -36.726 -17.404 -17.064 0.00 0.00 -0.063 C -ATOM 672 H LEU A 995 -33.128 -15.800 -16.157 0.00 0.00 0.164 HD -ATOM 673 HA LEU A 995 -35.727 -16.133 -14.827 0.00 0.00 0.063 H -ATOM 674 HB3 LEU A 995 -35.137 -18.566 -15.079 0.00 0.00 0.030 H -ATOM 675 HB2 LEU A 995 -33.583 -18.112 -15.720 0.00 0.00 0.030 H -ATOM 676 HG LEU A 995 -34.729 -16.966 -17.648 0.00 0.00 0.030 H -ATOM 677 HD11 LEU A 995 -35.798 -19.436 -18.372 0.00 0.00 0.023 H -ATOM 678 HD12 LEU A 995 -34.130 -18.931 -18.552 0.00 0.00 0.023 H -ATOM 679 HD13 LEU A 995 -34.616 -19.859 -17.149 0.00 0.00 0.023 H -ATOM 680 HD21 LEU A 995 -37.297 -17.944 -17.819 0.00 0.00 0.023 H -ATOM 681 HD22 LEU A 995 -37.185 -17.617 -16.098 0.00 0.00 0.023 H -ATOM 682 HD23 LEU A 995 -36.866 -16.341 -17.258 0.00 0.00 0.023 H -ATOM 683 N LYS A 996 -32.844 -16.506 -13.266 0.00 0.00 -0.343 N -ATOM 684 CA LYS A 996 -32.166 -16.741 -11.993 0.00 0.00 0.108 C -ATOM 685 C LYS A 996 -30.749 -16.148 -12.055 0.00 0.00 0.243 C -ATOM 686 O LYS A 996 -30.136 -16.157 -13.122 0.00 0.00 -0.273 OA -ATOM 687 CB LYS A 996 -32.156 -18.264 -11.694 0.00 0.00 -0.023 C -ATOM 688 CG LYS A 996 -31.585 -18.674 -10.325 0.00 0.00 -0.045 C -ATOM 689 CD LYS A 996 -31.575 -20.193 -10.085 0.00 0.00 -0.004 C -ATOM 690 CE LYS A 996 -32.976 -20.816 -9.988 0.00 0.00 0.074 C -ATOM 691 NZ LYS A 996 -32.910 -22.253 -9.683 0.00 0.00 -0.358 N -ATOM 692 H LYS A 996 -32.241 -16.278 -14.045 0.00 0.00 0.164 HD -ATOM 693 HA LYS A 996 -32.721 -16.220 -11.213 0.00 0.00 0.063 H -ATOM 694 HB3 LYS A 996 -31.599 -18.784 -12.472 0.00 0.00 0.029 H -ATOM 695 HB2 LYS A 996 -33.174 -18.643 -11.758 0.00 0.00 0.029 H -ATOM 696 HG3 LYS A 996 -32.156 -18.195 -9.534 0.00 0.00 0.027 H -ATOM 697 HG2 LYS A 996 -30.568 -18.302 -10.226 0.00 0.00 0.027 H -ATOM 698 HD3 LYS A 996 -31.034 -20.392 -9.161 0.00 0.00 0.032 H -ATOM 699 HD2 LYS A 996 -31.007 -20.682 -10.878 0.00 0.00 0.032 H -ATOM 700 HE3 LYS A 996 -33.527 -20.694 -10.919 0.00 0.00 0.092 H -ATOM 701 HE2 LYS A 996 -33.552 -20.326 -9.203 0.00 0.00 0.092 H -ATOM 702 HZ1 LYS A 996 -32.432 -22.398 -8.801 0.00 0.00 0.344 HD -ATOM 703 HZ2 LYS A 996 -33.852 -22.612 -9.602 0.00 0.00 0.344 HD -ATOM 704 HZ3 LYS A 996 -32.418 -22.741 -10.418 0.00 0.00 0.344 HD -ATOM 705 N ILE A 997 -30.242 -15.680 -10.904 0.00 0.00 -0.342 N -ATOM 706 CA ILE A 997 -28.833 -15.330 -10.715 0.00 0.00 0.110 C -ATOM 707 C ILE A 997 -28.382 -15.975 -9.395 0.00 0.00 0.243 C -ATOM 708 O ILE A 997 -28.978 -15.712 -8.350 0.00 0.00 -0.273 OA -ATOM 709 CB ILE A 997 -28.560 -13.794 -10.651 0.00 0.00 -0.015 C -ATOM 710 CG1 ILE A 997 -29.075 -13.066 -11.918 0.00 0.00 -0.051 C -ATOM 711 CG2 ILE A 997 -27.063 -13.468 -10.419 0.00 0.00 -0.060 C -ATOM 712 CD1 ILE A 997 -29.065 -11.530 -11.831 0.00 0.00 -0.065 C -ATOM 713 H ILE A 997 -30.808 -15.692 -10.064 0.00 0.00 0.164 HD -ATOM 714 HA ILE A 997 -28.233 -15.752 -11.523 0.00 0.00 0.064 H -ATOM 715 HB ILE A 997 -29.106 -13.393 -9.800 0.00 0.00 0.033 H -ATOM 716 HG13 ILE A 997 -30.100 -13.364 -12.128 0.00 0.00 0.027 H -ATOM 717 HG12 ILE A 997 -28.497 -13.388 -12.782 0.00 0.00 0.027 H -ATOM 718 HG21 ILE A 997 -26.883 -12.395 -10.379 0.00 0.00 0.023 H -ATOM 719 HG22 ILE A 997 -26.690 -13.870 -9.477 0.00 0.00 0.023 H -ATOM 720 HG23 ILE A 997 -26.443 -13.876 -11.217 0.00 0.00 0.023 H -ATOM 721 HD11 ILE A 997 -30.057 -11.124 -12.025 0.00 0.00 0.023 H -ATOM 722 HD12 ILE A 997 -28.763 -11.173 -10.848 0.00 0.00 0.023 H -ATOM 723 HD13 ILE A 997 -28.389 -11.098 -12.568 0.00 0.00 0.023 H -ATOM 724 N GLN A 998 -27.336 -16.807 -9.487 0.00 0.00 -0.342 N -ATOM 725 CA GLN A 998 -26.716 -17.523 -8.376 0.00 0.00 0.108 C -ATOM 726 C GLN A 998 -25.293 -17.015 -8.151 0.00 0.00 0.243 C -ATOM 727 O GLN A 998 -24.590 -16.757 -9.125 0.00 0.00 -0.273 OA -ATOM 728 CB GLN A 998 -26.669 -19.025 -8.719 0.00 0.00 -0.015 C -ATOM 729 CG GLN A 998 -28.046 -19.696 -8.621 0.00 0.00 0.029 C -ATOM 730 CD GLN A 998 -28.076 -21.111 -9.201 0.00 0.00 0.217 C -ATOM 731 NE2 GLN A 998 -28.800 -22.015 -8.539 0.00 0.00 -0.370 N -ATOM 732 OE1 GLN A 998 -27.489 -21.380 -10.248 0.00 0.00 -0.275 OA -ATOM 733 H GLN A 998 -26.913 -16.965 -10.393 0.00 0.00 0.164 HD -ATOM 734 HA GLN A 998 -27.289 -17.376 -7.461 0.00 0.00 0.063 H -ATOM 735 HB3 GLN A 998 -25.987 -19.546 -8.043 0.00 0.00 0.030 H -ATOM 736 HB2 GLN A 998 -26.253 -19.149 -9.720 0.00 0.00 0.030 H -ATOM 737 HG3 GLN A 998 -28.790 -19.107 -9.152 0.00 0.00 0.037 H -ATOM 738 HG2 GLN A 998 -28.349 -19.712 -7.576 0.00 0.00 0.037 H -ATOM 739 HE22 GLN A 998 -28.862 -22.966 -8.872 0.00 0.00 0.159 HD -ATOM 740 HE21 GLN A 998 -29.296 -21.745 -7.698 0.00 0.00 0.159 HD -ATOM 741 N LYS A 999 -24.876 -16.962 -6.877 0.00 0.00 -0.343 N -ATOM 742 CA ALYS A 999 -23.479 -16.802 -6.489 0.00 0.00 0.108 C -ATOM 743 C LYS A 999 -22.811 -18.176 -6.411 0.00 0.00 0.243 C -ATOM 744 O LYS A 999 -23.284 -19.043 -5.676 0.00 0.00 -0.273 OA -ATOM 745 CB ALYS A 999 -23.365 -16.089 -5.131 0.00 0.00 -0.023 C -ATOM 746 CG ALYS A 999 -23.849 -14.634 -5.182 0.00 0.00 -0.045 C -ATOM 747 CD ALYS A 999 -23.329 -13.758 -4.034 0.00 0.00 -0.004 C -ATOM 748 CE ALYS A 999 -21.821 -13.461 -4.133 0.00 0.00 0.074 C -ATOM 749 NZ ALYS A 999 -21.419 -12.420 -3.175 0.00 0.00 -0.358 N -ATOM 750 H LYS A 999 -25.525 -17.177 -6.130 0.00 0.00 0.164 HD -ATOM 751 HA ALYS A 999 -22.960 -16.193 -7.233 0.00 0.00 0.063 H -ATOM 752 HB3ALYS A 999 -22.316 -16.106 -4.838 0.00 0.00 0.029 H -ATOM 753 HB2ALYS A 999 -23.902 -16.633 -4.352 0.00 0.00 0.029 H -ATOM 754 HG3ALYS A 999 -24.938 -14.632 -5.168 0.00 0.00 0.027 H -ATOM 755 HG2ALYS A 999 -23.564 -14.185 -6.132 0.00 0.00 0.027 H -ATOM 756 HD3ALYS A 999 -23.546 -14.241 -3.081 0.00 0.00 0.032 H -ATOM 757 HD2ALYS A 999 -23.892 -12.826 -4.030 0.00 0.00 0.032 H -ATOM 758 HE3ALYS A 999 -21.568 -13.110 -5.134 0.00 0.00 0.092 H -ATOM 759 HE2ALYS A 999 -21.229 -14.356 -3.944 0.00 0.00 0.092 H -ATOM 760 HZ1ALYS A 999 -21.650 -12.706 -2.235 0.00 0.00 0.344 HD -ATOM 761 HZ2ALYS A 999 -20.426 -12.253 -3.251 0.00 0.00 0.344 HD -ATOM 762 HZ3ALYS A 999 -21.922 -11.570 -3.409 0.00 0.00 0.344 HD -ATOM 763 N VAL A1000 -21.703 -18.320 -7.147 0.00 0.00 -0.342 N -ATOM 764 CA VAL A1000 -20.833 -19.491 -7.120 0.00 0.00 0.110 C -ATOM 765 C VAL A1000 -19.846 -19.314 -5.951 0.00 0.00 0.243 C -ATOM 766 O VAL A1000 -19.128 -18.312 -5.913 0.00 0.00 -0.273 OA -ATOM 767 CB VAL A1000 -20.029 -19.595 -8.442 0.00 0.00 -0.018 C -ATOM 768 CG1 VAL A1000 -19.035 -20.773 -8.495 0.00 0.00 -0.060 C -ATOM 769 CG2 VAL A1000 -20.952 -19.646 -9.677 0.00 0.00 -0.060 C -ATOM 770 H VAL A1000 -21.368 -17.539 -7.696 0.00 0.00 0.164 HD -ATOM 771 HA VAL A1000 -21.424 -20.399 -6.982 0.00 0.00 0.063 H -ATOM 772 HB VAL A1000 -19.445 -18.680 -8.517 0.00 0.00 0.032 H -ATOM 773 HG11 VAL A1000 -18.502 -20.792 -9.445 0.00 0.00 0.023 H -ATOM 774 HG12 VAL A1000 -18.279 -20.721 -7.711 0.00 0.00 0.023 H -ATOM 775 HG13 VAL A1000 -19.558 -21.722 -8.399 0.00 0.00 0.023 H -ATOM 776 HG21 VAL A1000 -20.376 -19.704 -10.600 0.00 0.00 0.023 H -ATOM 777 HG22 VAL A1000 -21.606 -20.516 -9.648 0.00 0.00 0.023 H -ATOM 778 HG23 VAL A1000 -21.580 -18.759 -9.755 0.00 0.00 0.023 H -ATOM 779 N CYS A1001 -19.869 -20.264 -5.005 0.00 0.00 -0.342 N -ATOM 780 CA ACYS A1001 -19.140 -20.181 -3.741 0.00 0.00 0.117 C -ATOM 781 C CYS A1001 -18.294 -21.451 -3.574 0.00 0.00 0.244 C -ATOM 782 O CYS A1001 -18.838 -22.504 -3.239 0.00 0.00 -0.273 OA -ATOM 783 CB ACYS A1001 -20.105 -20.008 -2.550 0.00 0.00 0.020 C -ATOM 784 SG ACYS A1001 -20.944 -18.398 -2.613 0.00 0.00 -0.177 SA -ATOM 785 H CYS A1001 -20.503 -21.048 -5.099 0.00 0.00 0.164 HD -ATOM 786 HA ACYS A1001 -18.458 -19.329 -3.738 0.00 0.00 0.064 H -ATOM 787 HB3ACYS A1001 -19.566 -20.076 -1.604 0.00 0.00 0.040 H -ATOM 788 HB2ACYS A1001 -20.862 -20.789 -2.549 0.00 0.00 0.040 H -ATOM 789 HG ACYS A1001 -21.671 -18.666 -3.702 0.00 0.00 0.102 HD -ATOM 790 N ASN A1002 -16.978 -21.314 -3.797 0.00 0.00 -0.342 N -ATOM 791 CA ASN A1002 -15.968 -22.351 -3.594 0.00 0.00 0.116 C -ATOM 792 C ASN A1002 -14.731 -21.673 -2.983 0.00 0.00 0.243 C -ATOM 793 O ASN A1002 -14.161 -20.780 -3.612 0.00 0.00 -0.273 OA -ATOM 794 CB ASN A1002 -15.670 -23.053 -4.942 0.00 0.00 0.056 C -ATOM 795 CG ASN A1002 -14.768 -24.295 -4.834 0.00 0.00 0.220 C -ATOM 796 ND2 ASN A1002 -15.167 -25.403 -5.457 0.00 0.00 -0.370 N -ATOM 797 OD1 ASN A1002 -13.699 -24.254 -4.232 0.00 0.00 -0.275 OA -ATOM 798 H ASN A1002 -16.617 -20.412 -4.080 0.00 0.00 0.164 HD -ATOM 799 HA ASN A1002 -16.325 -23.098 -2.882 0.00 0.00 0.064 H -ATOM 800 HB3 ASN A1002 -15.234 -22.351 -5.651 0.00 0.00 0.039 H -ATOM 801 HB2 ASN A1002 -16.617 -23.358 -5.384 0.00 0.00 0.039 H -ATOM 802 HD22 ASN A1002 -14.607 -26.244 -5.416 0.00 0.00 0.159 HD -ATOM 803 HD21 ASN A1002 -16.044 -25.413 -5.968 0.00 0.00 0.159 HD -ATOM 804 N LYS A1003 -14.350 -22.110 -1.771 0.00 0.00 -0.343 N -ATOM 805 CA LYS A1003 -13.220 -21.587 -0.998 0.00 0.00 0.108 C -ATOM 806 C LYS A1003 -11.856 -21.840 -1.666 0.00 0.00 0.243 C -ATOM 807 O LYS A1003 -11.056 -20.911 -1.747 0.00 0.00 -0.273 OA -ATOM 808 CB LYS A1003 -13.299 -22.148 0.440 0.00 0.00 -0.023 C -ATOM 809 CG LYS A1003 -12.141 -21.757 1.382 0.00 0.00 -0.045 C -ATOM 810 CD LYS A1003 -12.367 -22.284 2.809 0.00 0.00 -0.004 C -ATOM 811 CE LYS A1003 -11.185 -22.061 3.767 0.00 0.00 0.074 C -ATOM 812 NZ LYS A1003 -10.924 -20.634 4.013 0.00 0.00 -0.358 N -ATOM 813 H LYS A1003 -14.874 -22.855 -1.331 0.00 0.00 0.164 HD -ATOM 814 HA LYS A1003 -13.353 -20.505 -0.934 0.00 0.00 0.063 H -ATOM 815 HB3 LYS A1003 -13.351 -23.237 0.398 0.00 0.00 0.029 H -ATOM 816 HB2 LYS A1003 -14.239 -21.822 0.886 0.00 0.00 0.029 H -ATOM 817 HG3 LYS A1003 -12.029 -20.673 1.393 0.00 0.00 0.027 H -ATOM 818 HG2 LYS A1003 -11.199 -22.160 1.006 0.00 0.00 0.027 H -ATOM 819 HD3 LYS A1003 -12.580 -23.353 2.764 0.00 0.00 0.032 H -ATOM 820 HD2 LYS A1003 -13.262 -21.822 3.227 0.00 0.00 0.032 H -ATOM 821 HE3 LYS A1003 -10.280 -22.529 3.379 0.00 0.00 0.092 H -ATOM 822 HE2 LYS A1003 -11.405 -22.534 4.725 0.00 0.00 0.092 H -ATOM 823 HZ1 LYS A1003 -10.568 -20.205 3.163 0.00 0.00 0.344 HD -ATOM 824 HZ2 LYS A1003 -11.769 -20.168 4.307 0.00 0.00 0.344 HD -ATOM 825 HZ3 LYS A1003 -10.217 -20.541 4.728 0.00 0.00 0.344 HD -ATOM 826 N LYS A1004 -11.630 -23.074 -2.148 0.00 0.00 -0.343 N -ATOM 827 CA LYS A1004 -10.416 -23.505 -2.845 0.00 0.00 0.108 C -ATOM 828 C LYS A1004 -10.149 -22.739 -4.154 0.00 0.00 0.243 C -ATOM 829 O LYS A1004 -9.012 -22.330 -4.381 0.00 0.00 -0.273 OA -ATOM 830 CB LYS A1004 -10.462 -25.042 -3.022 0.00 0.00 -0.023 C -ATOM 831 CG LYS A1004 -9.438 -25.652 -3.998 0.00 0.00 -0.045 C -ATOM 832 CD LYS A1004 -9.462 -27.190 -3.974 0.00 0.00 -0.004 C -ATOM 833 CE LYS A1004 -8.775 -27.834 -5.186 0.00 0.00 0.074 C -ATOM 834 NZ LYS A1004 -9.568 -27.642 -6.413 0.00 0.00 -0.358 N -ATOM 835 H LYS A1004 -12.344 -23.782 -2.033 0.00 0.00 0.164 HD -ATOM 836 HA LYS A1004 -9.582 -23.282 -2.177 0.00 0.00 0.063 H -ATOM 837 HB3 LYS A1004 -11.451 -25.329 -3.378 0.00 0.00 0.029 H -ATOM 838 HB2 LYS A1004 -10.354 -25.507 -2.041 0.00 0.00 0.029 H -ATOM 839 HG3 LYS A1004 -8.435 -25.298 -3.756 0.00 0.00 0.027 H -ATOM 840 HG2 LYS A1004 -9.653 -25.304 -5.008 0.00 0.00 0.027 H -ATOM 841 HD3 LYS A1004 -10.490 -27.548 -3.904 0.00 0.00 0.032 H -ATOM 842 HD2 LYS A1004 -8.965 -27.534 -3.065 0.00 0.00 0.032 H -ATOM 843 HE3 LYS A1004 -8.665 -28.906 -5.020 0.00 0.00 0.092 H -ATOM 844 HE2 LYS A1004 -7.774 -27.426 -5.325 0.00 0.00 0.092 H -ATOM 845 HZ1 LYS A1004 -9.668 -26.656 -6.607 0.00 0.00 0.344 HD -ATOM 846 HZ2 LYS A1004 -9.118 -28.090 -7.199 0.00 0.00 0.344 HD -ATOM 847 HZ3 LYS A1004 -10.488 -28.042 -6.294 0.00 0.00 0.344 HD -ATOM 848 N LEU A1005 -11.196 -22.540 -4.972 0.00 0.00 -0.343 N -ATOM 849 CA LEU A1005 -11.115 -21.792 -6.230 0.00 0.00 0.108 C -ATOM 850 C LEU A1005 -10.971 -20.277 -6.019 0.00 0.00 0.243 C -ATOM 851 O LEU A1005 -10.334 -19.624 -6.847 0.00 0.00 -0.273 OA -ATOM 852 CB LEU A1005 -12.349 -22.098 -7.100 0.00 0.00 -0.021 C -ATOM 853 CG LEU A1005 -12.443 -23.557 -7.587 0.00 0.00 -0.045 C -ATOM 854 CD1 LEU A1005 -13.766 -23.793 -8.345 0.00 0.00 -0.063 C -ATOM 855 CD2 LEU A1005 -11.211 -23.975 -8.411 0.00 0.00 -0.063 C -ATOM 856 H LEU A1005 -12.104 -22.911 -4.722 0.00 0.00 0.164 HD -ATOM 857 HA LEU A1005 -10.219 -22.117 -6.760 0.00 0.00 0.063 H -ATOM 858 HB3 LEU A1005 -12.358 -21.441 -7.971 0.00 0.00 0.030 H -ATOM 859 HB2 LEU A1005 -13.243 -21.853 -6.529 0.00 0.00 0.030 H -ATOM 860 HG LEU A1005 -12.470 -24.201 -6.709 0.00 0.00 0.030 H -ATOM 861 HD11 LEU A1005 -14.237 -24.723 -8.031 0.00 0.00 0.023 H -ATOM 862 HD12 LEU A1005 -14.488 -22.995 -8.170 0.00 0.00 0.023 H -ATOM 863 HD13 LEU A1005 -13.620 -23.849 -9.421 0.00 0.00 0.023 H -ATOM 864 HD21 LEU A1005 -11.477 -24.666 -9.203 0.00 0.00 0.023 H -ATOM 865 HD22 LEU A1005 -10.714 -23.122 -8.874 0.00 0.00 0.023 H -ATOM 866 HD23 LEU A1005 -10.479 -24.483 -7.782 0.00 0.00 0.023 H -ATOM 867 N TRP A1006 -11.533 -19.750 -4.916 0.00 0.00 -0.342 N -ATOM 868 CA TRP A1006 -11.372 -18.355 -4.517 0.00 0.00 0.112 C -ATOM 869 C TRP A1006 -9.946 -18.051 -4.033 0.00 0.00 0.243 C -ATOM 870 O TRP A1006 -9.372 -17.055 -4.462 0.00 0.00 -0.273 OA -ATOM 871 CB TRP A1006 -12.433 -17.960 -3.471 0.00 0.00 0.004 C -ATOM 872 CG TRP A1006 -12.338 -16.535 -3.013 0.00 0.00 -0.020 A -ATOM 873 CD1 TRP A1006 -11.933 -16.107 -1.795 0.00 0.00 0.005 A -ATOM 874 CD2 TRP A1006 -12.554 -15.333 -3.809 0.00 0.00 0.003 A -ATOM 875 CE2 TRP A1006 -12.266 -14.194 -3.001 0.00 0.00 0.046 A -ATOM 876 CE3 TRP A1006 -12.947 -15.094 -5.143 0.00 0.00 -0.053 A -ATOM 877 NE1 TRP A1006 -11.899 -14.727 -1.783 0.00 0.00 -0.361 N -ATOM 878 CZ2 TRP A1006 -12.367 -12.882 -3.495 0.00 0.00 -0.038 A -ATOM 879 CZ3 TRP A1006 -13.057 -13.785 -5.650 0.00 0.00 -0.062 A -ATOM 880 CH2 TRP A1006 -12.763 -12.679 -4.829 0.00 0.00 -0.060 A -ATOM 881 H TRP A1006 -12.062 -20.341 -4.289 0.00 0.00 0.164 HD -ATOM 882 HA TRP A1006 -11.547 -17.740 -5.402 0.00 0.00 0.064 H -ATOM 883 HB3 TRP A1006 -12.377 -18.615 -2.601 0.00 0.00 0.034 H -ATOM 884 HB2 TRP A1006 -13.428 -18.099 -3.895 0.00 0.00 0.034 H -ATOM 885 HD1 TRP A1006 -11.662 -16.757 -0.977 0.00 0.00 0.082 H -ATOM 886 HE3 TRP A1006 -13.165 -15.934 -5.783 0.00 0.00 0.063 H -ATOM 887 HE1 TRP A1006 -11.605 -14.190 -0.976 0.00 0.00 0.166 HD -ATOM 888 HZ2 TRP A1006 -12.143 -12.040 -2.858 0.00 0.00 0.064 H -ATOM 889 HZ3 TRP A1006 -13.369 -13.643 -6.674 0.00 0.00 0.062 H -ATOM 890 HH2 TRP A1006 -12.850 -11.676 -5.217 0.00 0.00 0.062 H -ATOM 891 N GLU A1007 -9.394 -18.928 -3.180 0.00 0.00 -0.342 N -ATOM 892 CA GLU A1007 -8.034 -18.823 -2.653 0.00 0.00 0.108 C -ATOM 893 C GLU A1007 -6.943 -19.073 -3.708 0.00 0.00 0.243 C -ATOM 894 O GLU A1007 -5.854 -18.522 -3.563 0.00 0.00 -0.273 OA -ATOM 895 CB GLU A1007 -7.890 -19.735 -1.423 0.00 0.00 -0.018 C -ATOM 896 CG GLU A1007 -8.689 -19.184 -0.223 0.00 0.00 -0.011 C -ATOM 897 CD GLU A1007 -8.692 -20.079 1.016 0.00 0.00 0.041 C -ATOM 898 OE1 GLU A1007 -8.163 -21.210 0.947 0.00 0.00 -0.550 OA -ATOM 899 OE2 GLU A1007 -9.258 -19.610 2.027 0.00 0.00 -0.550 O -ATOM 900 H GLU A1007 -9.939 -19.715 -2.851 0.00 0.00 0.164 HD -ATOM 901 HA GLU A1007 -7.892 -17.796 -2.313 0.00 0.00 0.063 H -ATOM 902 HB3 GLU A1007 -6.839 -19.832 -1.145 0.00 0.00 0.030 H -ATOM 903 HB2 GLU A1007 -8.231 -20.741 -1.674 0.00 0.00 0.030 H -ATOM 904 HG3 GLU A1007 -9.728 -19.008 -0.501 0.00 0.00 0.033 H -ATOM 905 HG2 GLU A1007 -8.284 -18.214 0.065 0.00 0.00 0.033 H -ATOM 906 N ARG A1008 -7.264 -19.835 -4.768 0.00 0.00 -0.343 N -ATOM 907 CA ARG A1008 -6.454 -19.963 -5.981 0.00 0.00 0.108 C -ATOM 908 C ARG A1008 -6.427 -18.646 -6.780 0.00 0.00 0.243 C -ATOM 909 O ARG A1008 -5.359 -18.253 -7.250 0.00 0.00 -0.273 OA -ATOM 910 CB ARG A1008 -7.001 -21.134 -6.826 0.00 0.00 -0.021 C -ATOM 911 CG ARG A1008 -6.265 -21.388 -8.158 0.00 0.00 -0.020 C -ATOM 912 CD ARG A1008 -6.959 -22.438 -9.034 0.00 0.00 0.064 C -ATOM 913 NE ARG A1008 -6.849 -23.800 -8.496 0.00 0.00 -0.278 N -ATOM 914 CZ ARG A1008 -7.474 -24.870 -9.015 0.00 0.00 0.338 C -ATOM 915 NH1 ARG A1008 -8.275 -24.757 -10.084 0.00 0.00 -0.291 N -ATOM 916 NH2 ARG A1008 -7.285 -26.075 -8.466 0.00 0.00 -0.291 N -ATOM 917 H ARG A1008 -8.173 -20.278 -4.794 0.00 0.00 0.164 HD -ATOM 918 HA ARG A1008 -5.431 -20.204 -5.685 0.00 0.00 0.063 H -ATOM 919 HB3 ARG A1008 -8.049 -20.935 -7.047 0.00 0.00 0.029 H -ATOM 920 HB2 ARG A1008 -6.990 -22.048 -6.231 0.00 0.00 0.029 H -ATOM 921 HG3 ARG A1008 -5.261 -21.732 -7.909 0.00 0.00 0.030 H -ATOM 922 HG2 ARG A1008 -6.132 -20.487 -8.757 0.00 0.00 0.030 H -ATOM 923 HD3 ARG A1008 -6.655 -22.369 -10.078 0.00 0.00 0.066 H -ATOM 924 HD2 ARG A1008 -8.029 -22.233 -9.012 0.00 0.00 0.066 H -ATOM 925 HE ARG A1008 -6.221 -23.924 -7.715 0.00 0.00 0.260 HD -ATOM 926 HH12 ARG A1008 -8.683 -25.573 -10.520 0.00 0.00 0.256 HD -ATOM 927 HH11 ARG A1008 -8.413 -23.854 -10.526 0.00 0.00 0.256 HD -ATOM 928 HH22 ARG A1008 -7.748 -26.881 -8.870 0.00 0.00 0.256 HD -ATOM 929 HH21 ARG A1008 -6.649 -26.193 -7.692 0.00 0.00 0.256 HD -ATOM 930 N TYR A1009 -7.594 -17.985 -6.900 0.00 0.00 -0.342 N -ATOM 931 CA TYR A1009 -7.743 -16.708 -7.593 0.00 0.00 0.112 C -ATOM 932 C TYR A1009 -6.997 -15.554 -6.902 0.00 0.00 0.243 C -ATOM 933 O TYR A1009 -6.252 -14.847 -7.577 0.00 0.00 -0.273 OA -ATOM 934 CB TYR A1009 -9.234 -16.389 -7.850 0.00 0.00 0.002 C -ATOM 935 CG TYR A1009 -9.473 -15.021 -8.469 0.00 0.00 -0.045 A -ATOM 936 CD1 TYR A1009 -9.164 -14.808 -9.827 0.00 0.00 -0.055 A -ATOM 937 CD2 TYR A1009 -9.930 -13.945 -7.678 0.00 0.00 -0.055 A -ATOM 938 CE1 TYR A1009 -9.268 -13.521 -10.382 0.00 0.00 -0.020 A -ATOM 939 CE2 TYR A1009 -10.036 -12.656 -8.235 0.00 0.00 -0.020 A -ATOM 940 CZ TYR A1009 -9.686 -12.442 -9.583 0.00 0.00 0.115 A -ATOM 941 OH TYR A1009 -9.729 -11.191 -10.120 0.00 0.00 -0.508 OA -ATOM 942 H TYR A1009 -8.430 -18.365 -6.477 0.00 0.00 0.164 HD -ATOM 943 HA TYR A1009 -7.277 -16.840 -8.567 0.00 0.00 0.064 H -ATOM 944 HB3 TYR A1009 -9.801 -16.446 -6.921 0.00 0.00 0.034 H -ATOM 945 HB2 TYR A1009 -9.662 -17.148 -8.504 0.00 0.00 0.034 H -ATOM 946 HD1 TYR A1009 -8.818 -15.627 -10.438 0.00 0.00 0.063 H -ATOM 947 HD2 TYR A1009 -10.167 -14.097 -6.634 0.00 0.00 0.063 H -ATOM 948 HE1 TYR A1009 -9.009 -13.354 -11.415 0.00 0.00 0.066 H -ATOM 949 HE2 TYR A1009 -10.364 -11.833 -7.618 0.00 0.00 0.066 H -ATOM 950 HH TYR A1009 -9.952 -10.508 -9.473 0.00 0.00 0.293 HD -ATOM 951 N THR A1010 -7.200 -15.394 -5.583 0.00 0.00 -0.340 N -ATOM 952 CA THR A1010 -6.579 -14.335 -4.784 0.00 0.00 0.134 C -ATOM 953 C THR A1010 -5.065 -14.542 -4.552 0.00 0.00 0.245 C -ATOM 954 O THR A1010 -4.371 -13.548 -4.333 0.00 0.00 -0.273 OA -ATOM 955 CB THR A1010 -7.272 -14.159 -3.411 0.00 0.00 0.080 C -ATOM 956 CG2 THR A1010 -8.764 -13.806 -3.517 0.00 0.00 -0.036 C -ATOM 957 OG1 THR A1010 -7.093 -15.288 -2.578 0.00 0.00 -0.391 OA -ATOM 958 H THR A1010 -7.832 -16.012 -5.090 0.00 0.00 0.164 HD -ATOM 959 HA THR A1010 -6.711 -13.401 -5.330 0.00 0.00 0.066 H -ATOM 960 HB THR A1010 -6.791 -13.326 -2.895 0.00 0.00 0.062 H -ATOM 961 HG21 THR A1010 -9.191 -13.604 -2.535 0.00 0.00 0.026 H -ATOM 962 HG22 THR A1010 -8.909 -12.915 -4.126 0.00 0.00 0.026 H -ATOM 963 HG23 THR A1010 -9.348 -14.603 -3.972 0.00 0.00 0.026 H -ATOM 964 HG1 THR A1010 -7.630 -15.176 -1.785 0.00 0.00 0.211 HD -ATOM 965 N HIS A1011 -4.567 -15.791 -4.647 0.00 0.00 -0.342 N -ATOM 966 CA HIS A1011 -3.134 -16.099 -4.645 0.00 0.00 0.113 C -ATOM 967 C HIS A1011 -2.445 -15.571 -5.914 0.00 0.00 0.243 C -ATOM 968 O HIS A1011 -1.434 -14.880 -5.797 0.00 0.00 -0.273 OA -ATOM 969 CB HIS A1011 -2.908 -17.612 -4.444 0.00 0.00 0.021 C -ATOM 970 CG HIS A1011 -1.460 -18.039 -4.407 0.00 0.00 0.061 A -ATOM 971 CD2 HIS A1011 -0.614 -18.111 -3.320 0.00 0.00 0.024 A -ATOM 972 ND1 HIS A1011 -0.755 -18.421 -5.554 0.00 0.00 -0.242 NA -ATOM 973 CE1 HIS A1011 0.471 -18.687 -5.126 0.00 0.00 0.092 A -ATOM 974 NE2 HIS A1011 0.615 -18.515 -3.812 0.00 0.00 -0.351 N -ATOM 975 H HIS A1011 -5.194 -16.567 -4.807 0.00 0.00 0.164 HD -ATOM 976 HA HIS A1011 -2.684 -15.587 -3.792 0.00 0.00 0.064 H -ATOM 977 HB3 HIS A1011 -3.419 -18.184 -5.218 0.00 0.00 0.036 H -ATOM 978 HB2 HIS A1011 -3.347 -17.921 -3.497 0.00 0.00 0.036 H -ATOM 979 HD2 HIS A1011 -0.777 -17.896 -2.275 0.00 0.00 0.084 H -ATOM 980 HE1 HIS A1011 1.273 -19.006 -5.777 0.00 0.00 0.104 H -ATOM 981 HE2 HIS A1011 1.467 -18.640 -3.284 0.00 0.00 0.167 HD -ATOM 982 N ARG A1012 -3.029 -15.868 -7.088 0.00 0.00 -0.343 N -ATOM 983 CA ARG A1012 -2.547 -15.387 -8.384 0.00 0.00 0.108 C -ATOM 984 C ARG A1012 -2.715 -13.866 -8.564 0.00 0.00 0.243 C -ATOM 985 O ARG A1012 -1.872 -13.247 -9.210 0.00 0.00 -0.273 OA -ATOM 986 CB ARG A1012 -3.228 -16.191 -9.515 0.00 0.00 -0.021 C -ATOM 987 CG ARG A1012 -2.827 -15.766 -10.943 0.00 0.00 -0.020 C -ATOM 988 CD ARG A1012 -1.370 -16.103 -11.291 0.00 0.00 0.064 C -ATOM 989 NE ARG A1012 -0.924 -15.415 -12.510 0.00 0.00 -0.278 N -ATOM 990 CZ ARG A1012 0.333 -15.005 -12.758 0.00 0.00 0.338 C -ATOM 991 NH1 ARG A1012 1.318 -15.162 -11.860 0.00 0.00 -0.291 N -ATOM 992 NH2 ARG A1012 0.605 -14.421 -13.930 0.00 0.00 -0.291 N -ATOM 993 H ARG A1012 -3.862 -16.439 -7.101 0.00 0.00 0.164 HD -ATOM 994 HA ARG A1012 -1.477 -15.598 -8.407 0.00 0.00 0.063 H -ATOM 995 HB3 ARG A1012 -4.310 -16.092 -9.418 0.00 0.00 0.029 H -ATOM 996 HB2 ARG A1012 -3.011 -17.251 -9.383 0.00 0.00 0.029 H -ATOM 997 HG3 ARG A1012 -3.074 -14.730 -11.172 0.00 0.00 0.030 H -ATOM 998 HG2 ARG A1012 -3.455 -16.361 -11.603 0.00 0.00 0.030 H -ATOM 999 HD3 ARG A1012 -1.294 -17.162 -11.538 0.00 0.00 0.066 H -ATOM 1000 HD2 ARG A1012 -0.713 -15.935 -10.443 0.00 0.00 0.066 H -ATOM 1001 HE ARG A1012 -1.616 -15.294 -13.237 0.00 0.00 0.260 HD -ATOM 1002 HH12 ARG A1012 2.260 -14.841 -12.052 0.00 0.00 0.256 HD -ATOM 1003 HH11 ARG A1012 1.134 -15.589 -10.958 0.00 0.00 0.256 HD -ATOM 1004 HH22 ARG A1012 1.550 -14.113 -14.136 0.00 0.00 0.256 HD -ATOM 1005 HH21 ARG A1012 -0.129 -14.279 -14.612 0.00 0.00 0.256 HD -ATOM 1006 N ARG A1013 -3.776 -13.290 -7.972 0.00 0.00 -0.343 N -ATOM 1007 CA ARG A1013 -4.060 -11.855 -7.998 0.00 0.00 0.108 C -ATOM 1008 C ARG A1013 -2.992 -11.036 -7.258 0.00 0.00 0.243 C -ATOM 1009 O ARG A1013 -2.655 -9.951 -7.723 0.00 0.00 -0.273 OA -ATOM 1010 CB ARG A1013 -5.474 -11.599 -7.437 0.00 0.00 -0.021 C -ATOM 1011 CG ARG A1013 -5.939 -10.137 -7.533 0.00 0.00 -0.020 C -ATOM 1012 CD ARG A1013 -7.372 -9.912 -7.038 0.00 0.00 0.064 C -ATOM 1013 NE ARG A1013 -7.492 -10.097 -5.586 0.00 0.00 -0.278 N -ATOM 1014 CZ ARG A1013 -8.635 -10.024 -4.884 0.00 0.00 0.338 C -ATOM 1015 NH1 ARG A1013 -9.808 -9.775 -5.484 0.00 0.00 -0.291 N -ATOM 1016 NH2 ARG A1013 -8.603 -10.198 -3.558 0.00 0.00 -0.291 N -ATOM 1017 H ARG A1013 -4.444 -13.871 -7.483 0.00 0.00 0.164 HD -ATOM 1018 HA ARG A1013 -4.050 -11.540 -9.043 0.00 0.00 0.063 H -ATOM 1019 HB3 ARG A1013 -5.508 -11.918 -6.398 0.00 0.00 0.029 H -ATOM 1020 HB2 ARG A1013 -6.190 -12.220 -7.975 0.00 0.00 0.029 H -ATOM 1021 HG3 ARG A1013 -5.846 -9.772 -8.553 0.00 0.00 0.030 H -ATOM 1022 HG2 ARG A1013 -5.277 -9.519 -6.928 0.00 0.00 0.030 H -ATOM 1023 HD3 ARG A1013 -8.016 -10.667 -7.489 0.00 0.00 0.066 H -ATOM 1024 HD2 ARG A1013 -7.745 -8.939 -7.359 0.00 0.00 0.066 H -ATOM 1025 HE ARG A1013 -6.628 -10.269 -5.083 0.00 0.00 0.260 HD -ATOM 1026 HH12 ARG A1013 -10.659 -9.688 -4.943 0.00 0.00 0.256 HD -ATOM 1027 HH11 ARG A1013 -9.846 -9.606 -6.488 0.00 0.00 0.256 HD -ATOM 1028 HH22 ARG A1013 -9.452 -10.130 -3.008 0.00 0.00 0.256 HD -ATOM 1029 HH21 ARG A1013 -7.731 -10.389 -3.081 0.00 0.00 0.256 HD -ATOM 1030 N LYS A1014 -2.465 -11.585 -6.149 0.00 0.00 -0.343 N -ATOM 1031 CA LYS A1014 -1.365 -11.007 -5.380 0.00 0.00 0.108 C -ATOM 1032 C LYS A1014 -0.029 -11.027 -6.147 0.00 0.00 0.243 C -ATOM 1033 O LYS A1014 0.692 -10.033 -6.085 0.00 0.00 -0.273 OA -ATOM 1034 CB LYS A1014 -1.290 -11.703 -4.006 0.00 0.00 -0.023 C -ATOM 1035 CG LYS A1014 -0.165 -11.189 -3.089 0.00 0.00 -0.045 C -ATOM 1036 CD LYS A1014 -0.214 -11.818 -1.692 0.00 0.00 -0.004 C -ATOM 1037 CE LYS A1014 0.941 -11.351 -0.800 0.00 0.00 0.074 C -ATOM 1038 NZ LYS A1014 0.903 -12.016 0.512 0.00 0.00 -0.358 N -ATOM 1039 H LYS A1014 -2.793 -12.490 -5.842 0.00 0.00 0.164 HD -ATOM 1040 HA LYS A1014 -1.613 -9.960 -5.197 0.00 0.00 0.063 H -ATOM 1041 HB3 LYS A1014 -1.173 -12.777 -4.143 0.00 0.00 0.029 H -ATOM 1042 HB2 LYS A1014 -2.244 -11.568 -3.495 0.00 0.00 0.029 H -ATOM 1043 HG3 LYS A1014 -0.228 -10.104 -3.006 0.00 0.00 0.027 H -ATOM 1044 HG2 LYS A1014 0.808 -11.406 -3.533 0.00 0.00 0.027 H -ATOM 1045 HD3 LYS A1014 -0.189 -12.904 -1.786 0.00 0.00 0.032 H -ATOM 1046 HD2 LYS A1014 -1.166 -11.574 -1.218 0.00 0.00 0.032 H -ATOM 1047 HE3 LYS A1014 0.891 -10.272 -0.650 0.00 0.00 0.092 H -ATOM 1048 HE2 LYS A1014 1.899 -11.569 -1.273 0.00 0.00 0.092 H -ATOM 1049 HZ1 LYS A1014 0.966 -13.016 0.386 0.00 0.00 0.344 HD -ATOM 1050 HZ2 LYS A1014 1.680 -11.696 1.073 0.00 0.00 0.344 HD -ATOM 1051 HZ3 LYS A1014 0.036 -11.789 0.978 0.00 0.00 0.344 HD -ATOM 1052 N GLU A1015 0.256 -12.118 -6.883 0.00 0.00 -0.343 N -ATOM 1053 CA GLU A1015 1.435 -12.241 -7.748 0.00 0.00 0.108 C -ATOM 1054 C GLU A1015 1.454 -11.202 -8.880 0.00 0.00 0.243 C -ATOM 1055 O GLU A1015 2.464 -10.523 -9.049 0.00 0.00 -0.273 OA -ATOM 1056 CB GLU A1015 1.534 -13.656 -8.350 0.00 0.00 -0.018 C -ATOM 1057 CG GLU A1015 1.802 -14.768 -7.321 0.00 0.00 -0.011 C -ATOM 1058 CD GLU A1015 1.890 -16.159 -7.954 0.00 0.00 0.041 C -ATOM 1059 OE1 GLU A1015 1.463 -16.314 -9.121 0.00 0.00 -0.550 OA -ATOM 1060 OE2 GLU A1015 2.387 -17.065 -7.253 0.00 0.00 -0.550 O -ATOM 1061 H GLU A1015 -0.381 -12.903 -6.882 0.00 0.00 0.164 HD -ATOM 1062 HA GLU A1015 2.318 -12.070 -7.132 0.00 0.00 0.063 H -ATOM 1063 HB3 GLU A1015 2.332 -13.674 -9.095 0.00 0.00 0.030 H -ATOM 1064 HB2 GLU A1015 0.617 -13.879 -8.894 0.00 0.00 0.030 H -ATOM 1065 HG3 GLU A1015 1.019 -14.788 -6.564 0.00 0.00 0.033 H -ATOM 1066 HG2 GLU A1015 2.736 -14.564 -6.796 0.00 0.00 0.033 H -ATOM 1067 N VAL A1016 0.326 -11.084 -9.602 0.00 0.00 -0.342 N -ATOM 1068 CA VAL A1016 0.128 -10.138 -10.701 0.00 0.00 0.110 C -ATOM 1069 C VAL A1016 0.143 -8.667 -10.233 0.00 0.00 0.243 C -ATOM 1070 O VAL A1016 0.708 -7.826 -10.933 0.00 0.00 -0.273 OA -ATOM 1071 CB VAL A1016 -1.206 -10.433 -11.450 0.00 0.00 -0.018 C -ATOM 1072 CG1 VAL A1016 -1.633 -9.342 -12.451 0.00 0.00 -0.060 C -ATOM 1073 CG2 VAL A1016 -1.148 -11.789 -12.177 0.00 0.00 -0.060 C -ATOM 1074 H VAL A1016 -0.455 -11.692 -9.393 0.00 0.00 0.164 HD -ATOM 1075 HA VAL A1016 0.954 -10.270 -11.404 0.00 0.00 0.063 H -ATOM 1076 HB VAL A1016 -2.001 -10.513 -10.705 0.00 0.00 0.032 H -ATOM 1077 HG11 VAL A1016 -2.418 -9.691 -13.119 0.00 0.00 0.023 H -ATOM 1078 HG12 VAL A1016 -2.015 -8.451 -11.950 0.00 0.00 0.023 H -ATOM 1079 HG13 VAL A1016 -0.790 -9.043 -13.073 0.00 0.00 0.023 H -ATOM 1080 HG21 VAL A1016 -2.116 -12.046 -12.608 0.00 0.00 0.023 H -ATOM 1081 HG22 VAL A1016 -0.421 -11.772 -12.987 0.00 0.00 0.023 H -ATOM 1082 HG23 VAL A1016 -0.867 -12.602 -11.510 0.00 0.00 0.023 H -ATOM 1083 N SER A1017 -0.445 -8.397 -9.054 0.00 0.00 -0.340 N -ATOM 1084 CA ASER A1017 -0.485 -7.081 -8.416 0.00 0.00 0.131 C -ATOM 1085 C SER A1017 0.911 -6.587 -7.995 0.00 0.00 0.245 C -ATOM 1086 O SER A1017 1.237 -5.438 -8.281 0.00 0.00 -0.273 OA -ATOM 1087 CB ASER A1017 -1.485 -7.122 -7.243 0.00 0.00 0.072 C -ATOM 1088 OG ASER A1017 -1.633 -5.880 -6.593 0.00 0.00 -0.394 OA -ATOM 1089 H SER A1017 -0.894 -9.148 -8.546 0.00 0.00 0.164 HD -ATOM 1090 HA ASER A1017 -0.866 -6.378 -9.158 0.00 0.00 0.066 H -ATOM 1091 HB3ASER A1017 -1.184 -7.866 -6.505 0.00 0.00 0.059 H -ATOM 1092 HB2ASER A1017 -2.469 -7.409 -7.609 0.00 0.00 0.059 H -ATOM 1093 HG ASER A1017 -2.128 -5.290 -7.168 0.00 0.00 0.210 HD -ATOM 1094 N GLU A1018 1.724 -7.465 -7.382 0.00 0.00 -0.342 N -ATOM 1095 CA GLU A1018 3.109 -7.175 -6.992 0.00 0.00 0.108 C -ATOM 1096 C GLU A1018 4.087 -7.058 -8.182 0.00 0.00 0.243 C -ATOM 1097 O GLU A1018 5.123 -6.411 -8.031 0.00 0.00 -0.273 OA -ATOM 1098 CB GLU A1018 3.586 -8.215 -5.958 0.00 0.00 -0.018 C -ATOM 1099 CG GLU A1018 2.877 -8.061 -4.594 0.00 0.00 -0.011 C -ATOM 1100 CD GLU A1018 3.284 -9.098 -3.544 0.00 0.00 0.041 C -ATOM 1101 OE1 GLU A1018 4.292 -9.805 -3.762 0.00 0.00 -0.550 OA -ATOM 1102 OE2 GLU A1018 2.573 -9.159 -2.518 0.00 0.00 -0.550 O -ATOM 1103 H GLU A1018 1.391 -8.397 -7.171 0.00 0.00 0.164 HD -ATOM 1104 HA GLU A1018 3.114 -6.200 -6.502 0.00 0.00 0.063 H -ATOM 1105 HB3 GLU A1018 4.663 -8.119 -5.813 0.00 0.00 0.030 H -ATOM 1106 HB2 GLU A1018 3.422 -9.221 -6.349 0.00 0.00 0.030 H -ATOM 1107 HG3 GLU A1018 1.797 -8.115 -4.719 0.00 0.00 0.033 H -ATOM 1108 HG2 GLU A1018 3.087 -7.072 -4.184 0.00 0.00 0.033 H -ATOM 1109 N GLU A1019 3.731 -7.635 -9.342 0.00 0.00 -0.343 N -ATOM 1110 CA GLU A1019 4.428 -7.460 -10.622 0.00 0.00 0.108 C -ATOM 1111 C GLU A1019 3.970 -6.212 -11.404 0.00 0.00 0.243 C -ATOM 1112 O GLU A1019 4.535 -5.946 -12.465 0.00 0.00 -0.273 OA -ATOM 1113 CB GLU A1019 4.236 -8.730 -11.476 0.00 0.00 -0.018 C -ATOM 1114 CG GLU A1019 5.064 -9.925 -10.970 0.00 0.00 -0.011 C -ATOM 1115 CD GLU A1019 4.821 -11.228 -11.737 0.00 0.00 0.041 C -ATOM 1116 OE1 GLU A1019 3.922 -11.253 -12.605 0.00 0.00 -0.550 OA -ATOM 1117 OE2 GLU A1019 5.543 -12.201 -11.437 0.00 0.00 -0.550 O -ATOM 1118 H GLU A1019 2.880 -8.180 -9.378 0.00 0.00 0.164 HD -ATOM 1119 HA GLU A1019 5.496 -7.331 -10.439 0.00 0.00 0.063 H -ATOM 1120 HB3 GLU A1019 4.508 -8.540 -12.516 0.00 0.00 0.030 H -ATOM 1121 HB2 GLU A1019 3.177 -8.994 -11.488 0.00 0.00 0.030 H -ATOM 1122 HG3 GLU A1019 4.859 -10.101 -9.917 0.00 0.00 0.033 H -ATOM 1123 HG2 GLU A1019 6.125 -9.688 -11.037 0.00 0.00 0.033 H -ATOM 1124 N ASN A1020 2.965 -5.478 -10.897 0.00 0.00 -0.342 N -ATOM 1125 CA ASN A1020 2.349 -4.345 -11.580 0.00 0.00 0.116 C -ATOM 1126 C ASN A1020 1.963 -3.258 -10.563 0.00 0.00 0.243 C -ATOM 1127 O ASN A1020 0.794 -2.890 -10.491 0.00 0.00 -0.273 OA -ATOM 1128 CB ASN A1020 1.156 -4.856 -12.433 0.00 0.00 0.056 C -ATOM 1129 CG ASN A1020 0.619 -3.824 -13.432 0.00 0.00 0.220 C -ATOM 1130 ND2 ASN A1020 -0.694 -3.592 -13.412 0.00 0.00 -0.370 N -ATOM 1131 OD1 ASN A1020 1.375 -3.248 -14.211 0.00 0.00 -0.275 OA -ATOM 1132 H ASN A1020 2.549 -5.745 -10.015 0.00 0.00 0.164 HD -ATOM 1133 HA ASN A1020 3.071 -3.851 -12.234 0.00 0.00 0.064 H -ATOM 1134 HB3 ASN A1020 0.356 -5.222 -11.788 0.00 0.00 0.039 H -ATOM 1135 HB2 ASN A1020 1.473 -5.714 -13.027 0.00 0.00 0.039 H -ATOM 1136 HD22 ASN A1020 -1.107 -2.929 -14.053 0.00 0.00 0.159 HD -ATOM 1137 HD21 ASN A1020 -1.277 -4.044 -12.719 0.00 0.00 0.159 HD -ATOM 1138 N HIS A1021 2.963 -2.744 -9.818 0.00 0.00 -0.342 N -ATOM 1139 CA HIS A1021 2.908 -1.565 -8.930 0.00 0.00 0.115 C -ATOM 1140 C HIS A1021 1.694 -1.498 -7.973 0.00 0.00 0.243 C -ATOM 1141 O HIS A1021 1.098 -0.435 -7.797 0.00 0.00 -0.273 OA -ATOM 1142 CB HIS A1021 3.152 -0.261 -9.735 0.00 0.00 0.042 C -ATOM 1143 CG HIS A1021 2.266 -0.038 -10.938 0.00 0.00 0.142 A -ATOM 1144 CD2 HIS A1021 0.972 0.419 -11.057 0.00 0.00 0.130 A -ATOM 1145 ND1 HIS A1021 2.690 -0.300 -12.230 0.00 0.00 -0.248 N -ATOM 1146 CE1 HIS A1021 1.669 -0.021 -13.042 0.00 0.00 0.239 A -ATOM 1147 NE2 HIS A1021 0.592 0.418 -12.401 0.00 0.00 -0.250 N -ATOM 1148 H HIS A1021 3.892 -3.130 -9.939 0.00 0.00 0.164 HD -ATOM 1149 HA HIS A1021 3.763 -1.666 -8.262 0.00 0.00 0.064 H -ATOM 1150 HB3 HIS A1021 4.185 -0.258 -10.083 0.00 0.00 0.038 H -ATOM 1151 HB2 HIS A1021 3.070 0.612 -9.087 0.00 0.00 0.038 H -ATOM 1152 HD2 HIS A1021 0.283 0.726 -10.284 0.00 0.00 0.114 H -ATOM 1153 HD1 HIS A1021 3.595 -0.654 -12.506 0.00 0.00 0.311 HD -ATOM 1154 HE1 HIS A1021 1.714 -0.144 -14.114 0.00 0.00 0.160 H -ATOM 1155 N ASN A1022 1.358 -2.655 -7.377 0.00 0.00 -0.342 N -ATOM 1156 CA ASN A1022 0.234 -2.895 -6.460 0.00 0.00 0.116 C -ATOM 1157 C ASN A1022 -1.146 -2.660 -7.115 0.00 0.00 0.243 C -ATOM 1158 O ASN A1022 -2.040 -2.110 -6.472 0.00 0.00 -0.273 OA -ATOM 1159 CB ASN A1022 0.395 -2.136 -5.113 0.00 0.00 0.056 C -ATOM 1160 CG ASN A1022 1.760 -2.332 -4.445 0.00 0.00 0.220 C -ATOM 1161 ND2 ASN A1022 2.055 -3.549 -3.982 0.00 0.00 -0.370 N -ATOM 1162 OD1 ASN A1022 2.541 -1.388 -4.345 0.00 0.00 -0.275 OA -ATOM 1163 H ASN A1022 1.908 -3.475 -7.593 0.00 0.00 0.164 HD -ATOM 1164 HA ASN A1022 0.247 -3.959 -6.231 0.00 0.00 0.064 H -ATOM 1165 HB3 ASN A1022 -0.375 -2.455 -4.409 0.00 0.00 0.039 H -ATOM 1166 HB2 ASN A1022 0.237 -1.067 -5.264 0.00 0.00 0.039 H -ATOM 1167 HD22 ASN A1022 2.948 -3.721 -3.542 0.00 0.00 0.159 HD -ATOM 1168 HD21 ASN A1022 1.394 -4.313 -4.074 0.00 0.00 0.159 HD -ATOM 1169 N HIS A1023 -1.299 -3.101 -8.377 0.00 0.00 -0.342 N -ATOM 1170 CA HIS A1023 -2.520 -2.963 -9.168 0.00 0.00 0.113 C -ATOM 1171 C HIS A1023 -2.772 -4.259 -9.950 0.00 0.00 0.243 C -ATOM 1172 O HIS A1023 -2.058 -4.545 -10.911 0.00 0.00 -0.273 OA -ATOM 1173 CB HIS A1023 -2.401 -1.722 -10.083 0.00 0.00 0.021 C -ATOM 1174 CG HIS A1023 -3.586 -1.458 -10.980 0.00 0.00 0.061 A -ATOM 1175 CD2 HIS A1023 -4.899 -1.220 -10.627 0.00 0.00 0.024 A -ATOM 1176 ND1 HIS A1023 -3.479 -1.404 -12.376 0.00 0.00 -0.242 NA -ATOM 1177 CE1 HIS A1023 -4.702 -1.110 -12.798 0.00 0.00 0.092 A -ATOM 1178 NE2 HIS A1023 -5.587 -1.002 -11.807 0.00 0.00 -0.351 N -ATOM 1179 H HIS A1023 -0.510 -3.517 -8.855 0.00 0.00 0.164 HD -ATOM 1180 HA HIS A1023 -3.372 -2.806 -8.503 0.00 0.00 0.064 H -ATOM 1181 HB3 HIS A1023 -1.515 -1.799 -10.712 0.00 0.00 0.036 H -ATOM 1182 HB2 HIS A1023 -2.250 -0.832 -9.471 0.00 0.00 0.036 H -ATOM 1183 HD2 HIS A1023 -5.381 -1.182 -9.661 0.00 0.00 0.084 H -ATOM 1184 HE1 HIS A1023 -4.956 -0.980 -13.839 0.00 0.00 0.104 H -ATOM 1185 HE2 HIS A1023 -6.570 -0.792 -11.904 0.00 0.00 0.167 HD -ATOM 1186 N ALA A1024 -3.801 -5.012 -9.526 0.00 0.00 -0.343 N -ATOM 1187 CA ALA A1024 -4.257 -6.240 -10.180 0.00 0.00 0.105 C -ATOM 1188 C ALA A1024 -4.977 -6.008 -11.520 0.00 0.00 0.242 C -ATOM 1189 O ALA A1024 -5.016 -6.931 -12.331 0.00 0.00 -0.273 OA -ATOM 1190 CB ALA A1024 -5.199 -6.991 -9.229 0.00 0.00 -0.036 C -ATOM 1191 H ALA A1024 -4.334 -4.716 -8.718 0.00 0.00 0.164 HD -ATOM 1192 HA ALA A1024 -3.387 -6.872 -10.371 0.00 0.00 0.063 H -ATOM 1193 HB1 ALA A1024 -5.581 -7.895 -9.703 0.00 0.00 0.026 H -ATOM 1194 HB2 ALA A1024 -4.691 -7.288 -8.312 0.00 0.00 0.026 H -ATOM 1195 HB3 ALA A1024 -6.059 -6.381 -8.951 0.00 0.00 0.026 H -ATOM 1196 N ASN A1025 -5.554 -4.806 -11.713 0.00 0.00 -0.342 N -ATOM 1197 CA ASN A1025 -6.371 -4.406 -12.867 0.00 0.00 0.116 C -ATOM 1198 C ASN A1025 -7.606 -5.319 -13.033 0.00 0.00 0.243 C -ATOM 1199 O ASN A1025 -7.851 -5.855 -14.115 0.00 0.00 -0.273 OA -ATOM 1200 CB ASN A1025 -5.492 -4.322 -14.141 0.00 0.00 0.056 C -ATOM 1201 CG ASN A1025 -6.057 -3.444 -15.263 0.00 0.00 0.220 C -ATOM 1202 ND2 ASN A1025 -5.603 -3.693 -16.491 0.00 0.00 -0.370 N -ATOM 1203 OD1 ASN A1025 -6.865 -2.546 -15.032 0.00 0.00 -0.275 OA -ATOM 1204 H ASN A1025 -5.479 -4.114 -10.981 0.00 0.00 0.164 HD -ATOM 1205 HA ASN A1025 -6.797 -3.426 -12.652 0.00 0.00 0.064 H -ATOM 1206 HB3 ASN A1025 -5.265 -5.317 -14.519 0.00 0.00 0.039 H -ATOM 1207 HB2 ASN A1025 -4.531 -3.879 -13.877 0.00 0.00 0.039 H -ATOM 1208 HD22 ASN A1025 -5.900 -3.135 -17.282 0.00 0.00 0.159 HD -ATOM 1209 HD21 ASN A1025 -4.915 -4.421 -16.637 0.00 0.00 0.159 HD -ATOM 1210 N GLU A1026 -8.330 -5.510 -11.920 0.00 0.00 -0.342 N -ATOM 1211 CA GLU A1026 -9.454 -6.432 -11.814 0.00 0.00 0.108 C -ATOM 1212 C GLU A1026 -10.733 -5.846 -12.432 0.00 0.00 0.243 C -ATOM 1213 O GLU A1026 -11.101 -4.717 -12.104 0.00 0.00 -0.273 OA -ATOM 1214 CB GLU A1026 -9.628 -6.825 -10.337 0.00 0.00 -0.018 C -ATOM 1215 CG GLU A1026 -10.789 -7.799 -10.075 0.00 0.00 -0.011 C -ATOM 1216 CD GLU A1026 -10.848 -8.191 -8.606 0.00 0.00 0.041 C -ATOM 1217 OE1 GLU A1026 -11.566 -7.499 -7.854 0.00 0.00 -0.550 OA -ATOM 1218 OE2 GLU A1026 -10.194 -9.196 -8.255 0.00 0.00 -0.550 O -ATOM 1219 H GLU A1026 -8.074 -5.019 -11.073 0.00 0.00 0.164 HD -ATOM 1220 HA GLU A1026 -9.182 -7.336 -12.356 0.00 0.00 0.063 H -ATOM 1221 HB3 GLU A1026 -9.767 -5.925 -9.734 0.00 0.00 0.030 H -ATOM 1222 HB2 GLU A1026 -8.699 -7.278 -9.986 0.00 0.00 0.030 H -ATOM 1223 HG3 GLU A1026 -10.672 -8.695 -10.686 0.00 0.00 0.033 H -ATOM 1224 HG2 GLU A1026 -11.748 -7.360 -10.353 0.00 0.00 0.033 H -ATOM 1225 N ARG A1027 -11.385 -6.645 -13.291 0.00 0.00 -0.343 N -ATOM 1226 CA ARG A1027 -12.628 -6.312 -13.988 0.00 0.00 0.108 C -ATOM 1227 C ARG A1027 -13.673 -7.416 -13.778 0.00 0.00 0.243 C -ATOM 1228 O ARG A1027 -13.307 -8.573 -13.566 0.00 0.00 -0.273 OA -ATOM 1229 CB ARG A1027 -12.363 -6.158 -15.504 0.00 0.00 -0.021 C -ATOM 1230 CG ARG A1027 -11.196 -5.239 -15.895 0.00 0.00 -0.020 C -ATOM 1231 CD ARG A1027 -11.386 -3.763 -15.517 0.00 0.00 0.064 C -ATOM 1232 NE ARG A1027 -10.188 -2.980 -15.847 0.00 0.00 -0.278 N -ATOM 1233 CZ ARG A1027 -9.819 -2.583 -17.077 0.00 0.00 0.338 C -ATOM 1234 NH1 ARG A1027 -10.570 -2.831 -18.158 0.00 0.00 -0.291 N -ATOM 1235 NH2 ARG A1027 -8.672 -1.916 -17.236 0.00 0.00 -0.291 N -ATOM 1236 H ARG A1027 -11.016 -7.569 -13.481 0.00 0.00 0.164 HD -ATOM 1237 HA ARG A1027 -13.045 -5.384 -13.595 0.00 0.00 0.063 H -ATOM 1238 HB3 ARG A1027 -13.272 -5.809 -15.998 0.00 0.00 0.029 H -ATOM 1239 HB2 ARG A1027 -12.150 -7.140 -15.929 0.00 0.00 0.029 H -ATOM 1240 HG3 ARG A1027 -11.118 -5.295 -16.979 0.00 0.00 0.030 H -ATOM 1241 HG2 ARG A1027 -10.248 -5.614 -15.510 0.00 0.00 0.030 H -ATOM 1242 HD3 ARG A1027 -11.627 -3.659 -14.461 0.00 0.00 0.066 H -ATOM 1243 HD2 ARG A1027 -12.224 -3.327 -16.059 0.00 0.00 0.066 H -ATOM 1244 HE ARG A1027 -9.569 -2.779 -15.071 0.00 0.00 0.260 HD -ATOM 1245 HH12 ARG A1027 -10.258 -2.534 -19.073 0.00 0.00 0.256 HD -ATOM 1246 HH11 ARG A1027 -11.458 -3.314 -18.075 0.00 0.00 0.256 HD -ATOM 1247 HH22 ARG A1027 -8.404 -1.591 -18.159 0.00 0.00 0.256 HD -ATOM 1248 HH21 ARG A1027 -8.054 -1.762 -16.448 0.00 0.00 0.256 HD -ATOM 1249 N MET A1028 -14.955 -7.040 -13.907 0.00 0.00 -0.342 N -ATOM 1250 CA MET A1028 -16.078 -7.972 -13.973 0.00 0.00 0.109 C -ATOM 1251 C MET A1028 -16.497 -8.127 -15.444 0.00 0.00 0.243 C -ATOM 1252 O MET A1028 -17.021 -7.177 -16.024 0.00 0.00 -0.273 OA -ATOM 1253 CB MET A1028 -17.241 -7.466 -13.098 0.00 0.00 -0.015 C -ATOM 1254 CG MET A1028 -16.955 -7.437 -11.587 0.00 0.00 -0.005 C -ATOM 1255 SD MET A1028 -16.524 -9.022 -10.807 0.00 0.00 -0.165 SA -ATOM 1256 CE MET A1028 -17.962 -10.041 -11.238 0.00 0.00 -0.018 C -ATOM 1257 H MET A1028 -15.174 -6.069 -14.086 0.00 0.00 0.164 HD -ATOM 1258 HA MET A1028 -15.782 -8.945 -13.590 0.00 0.00 0.063 H -ATOM 1259 HB3 MET A1028 -18.103 -8.106 -13.264 0.00 0.00 0.030 H -ATOM 1260 HB2 MET A1028 -17.543 -6.468 -13.417 0.00 0.00 0.030 H -ATOM 1261 HG3 MET A1028 -17.831 -7.045 -11.069 0.00 0.00 0.038 H -ATOM 1262 HG2 MET A1028 -16.146 -6.736 -11.380 0.00 0.00 0.038 H -ATOM 1263 HE1 MET A1028 -17.916 -10.993 -10.709 0.00 0.00 0.034 H -ATOM 1264 HE2 MET A1028 -18.887 -9.535 -10.963 0.00 0.00 0.034 H -ATOM 1265 HE3 MET A1028 -17.983 -10.251 -12.308 0.00 0.00 0.034 H -ATOM 1266 N LEU A1029 -16.224 -9.306 -16.025 0.00 0.00 -0.343 N -ATOM 1267 CA LEU A1029 -16.402 -9.593 -17.451 0.00 0.00 0.108 C -ATOM 1268 C LEU A1029 -17.211 -10.882 -17.641 0.00 0.00 0.243 C -ATOM 1269 O LEU A1029 -17.058 -11.826 -16.867 0.00 0.00 -0.273 OA -ATOM 1270 CB LEU A1029 -15.019 -9.761 -18.117 0.00 0.00 -0.021 C -ATOM 1271 CG LEU A1029 -14.102 -8.522 -18.082 0.00 0.00 -0.045 C -ATOM 1272 CD1 LEU A1029 -12.658 -8.898 -18.445 0.00 0.00 -0.063 C -ATOM 1273 CD2 LEU A1029 -14.623 -7.406 -18.999 0.00 0.00 -0.063 C -ATOM 1274 H LEU A1029 -15.826 -10.054 -15.469 0.00 0.00 0.164 HD -ATOM 1275 HA LEU A1029 -16.948 -8.787 -17.943 0.00 0.00 0.063 H -ATOM 1276 HB3 LEU A1029 -15.168 -10.044 -19.158 0.00 0.00 0.030 H -ATOM 1277 HB2 LEU A1029 -14.501 -10.598 -17.643 0.00 0.00 0.030 H -ATOM 1278 HG LEU A1029 -14.072 -8.127 -17.067 0.00 0.00 0.030 H -ATOM 1279 HD11 LEU A1029 -12.057 -8.015 -18.663 0.00 0.00 0.023 H -ATOM 1280 HD12 LEU A1029 -12.171 -9.417 -17.621 0.00 0.00 0.023 H -ATOM 1281 HD13 LEU A1029 -12.620 -9.555 -19.314 0.00 0.00 0.023 H -ATOM 1282 HD21 LEU A1029 -13.954 -6.547 -18.990 0.00 0.00 0.023 H -ATOM 1283 HD22 LEU A1029 -14.707 -7.747 -20.031 0.00 0.00 0.023 H -ATOM 1284 HD23 LEU A1029 -15.605 -7.052 -18.686 0.00 0.00 0.023 H -ATOM 1285 N PHE A1030 -18.024 -10.911 -18.706 0.00 0.00 -0.342 N -ATOM 1286 CA PHE A1030 -18.840 -12.059 -19.097 0.00 0.00 0.112 C -ATOM 1287 C PHE A1030 -18.013 -13.188 -19.730 0.00 0.00 0.243 C -ATOM 1288 O PHE A1030 -16.986 -12.921 -20.356 0.00 0.00 -0.273 OA -ATOM 1289 CB PHE A1030 -19.960 -11.600 -20.054 0.00 0.00 0.002 C -ATOM 1290 CG PHE A1030 -20.964 -10.671 -19.402 0.00 0.00 -0.045 A -ATOM 1291 CD1 PHE A1030 -21.970 -11.193 -18.561 0.00 0.00 -0.059 A -ATOM 1292 CD2 PHE A1030 -20.786 -9.273 -19.476 0.00 0.00 -0.059 A -ATOM 1293 CE1 PHE A1030 -22.795 -10.332 -17.851 0.00 0.00 -0.062 A -ATOM 1294 CE2 PHE A1030 -21.624 -8.429 -18.763 0.00 0.00 -0.062 A -ATOM 1295 CZ PHE A1030 -22.618 -8.958 -17.949 0.00 0.00 -0.062 A -ATOM 1296 H PHE A1030 -18.054 -10.116 -19.331 0.00 0.00 0.164 HD -ATOM 1297 HA PHE A1030 -19.307 -12.446 -18.193 0.00 0.00 0.064 H -ATOM 1298 HB3 PHE A1030 -20.506 -12.467 -20.428 0.00 0.00 0.034 H -ATOM 1299 HB2 PHE A1030 -19.536 -11.110 -20.932 0.00 0.00 0.034 H -ATOM 1300 HD1 PHE A1030 -22.090 -12.262 -18.453 0.00 0.00 0.063 H -ATOM 1301 HD2 PHE A1030 -19.996 -8.856 -20.083 0.00 0.00 0.063 H -ATOM 1302 HE1 PHE A1030 -23.564 -10.730 -17.206 0.00 0.00 0.062 H -ATOM 1303 HE2 PHE A1030 -21.490 -7.359 -18.831 0.00 0.00 0.062 H -ATOM 1304 HZ PHE A1030 -23.249 -8.298 -17.375 0.00 0.00 0.062 H -ATOM 1305 N HIS A1031 -18.515 -14.424 -19.586 0.00 0.00 -0.342 N -ATOM 1306 CA HIS A1031 -17.975 -15.620 -20.222 0.00 0.00 0.115 C -ATOM 1307 C HIS A1031 -19.113 -16.597 -20.539 0.00 0.00 0.243 C -ATOM 1308 O HIS A1031 -19.849 -16.978 -19.630 0.00 0.00 -0.273 OA -ATOM 1309 CB HIS A1031 -16.907 -16.272 -19.324 0.00 0.00 0.042 C -ATOM 1310 CG HIS A1031 -16.247 -17.478 -19.941 0.00 0.00 0.142 A -ATOM 1311 CD2 HIS A1031 -16.447 -18.828 -19.758 0.00 0.00 0.130 A -ATOM 1312 ND1 HIS A1031 -15.254 -17.377 -20.897 0.00 0.00 -0.248 N -ATOM 1313 CE1 HIS A1031 -14.906 -18.614 -21.245 0.00 0.00 0.239 A -ATOM 1314 NE2 HIS A1031 -15.591 -19.547 -20.596 0.00 0.00 -0.250 N -ATOM 1315 H HIS A1031 -19.353 -14.559 -19.033 0.00 0.00 0.164 HD -ATOM 1316 HA HIS A1031 -17.498 -15.325 -21.155 0.00 0.00 0.064 H -ATOM 1317 HB3 HIS A1031 -17.334 -16.565 -18.367 0.00 0.00 0.038 H -ATOM 1318 HB2 HIS A1031 -16.132 -15.544 -19.098 0.00 0.00 0.038 H -ATOM 1319 HD2 HIS A1031 -17.140 -19.333 -19.100 0.00 0.00 0.114 H -ATOM 1320 HD1 HIS A1031 -14.851 -16.524 -21.273 0.00 0.00 0.311 HD -ATOM 1321 HE1 HIS A1031 -14.145 -18.831 -21.979 0.00 0.00 0.160 H -ATOM 1322 N GLY A1032 -19.204 -17.008 -21.813 0.00 0.00 -0.345 N -ATOM 1323 CA GLY A1032 -20.115 -18.050 -22.279 0.00 0.00 0.097 C -ATOM 1324 C GLY A1032 -19.272 -19.184 -22.857 0.00 0.00 0.240 C -ATOM 1325 O GLY A1032 -18.236 -18.939 -23.475 0.00 0.00 -0.273 OA -ATOM 1326 H GLY A1032 -18.539 -16.658 -22.491 0.00 0.00 0.164 HD -ATOM 1327 HA3 GLY A1032 -20.765 -17.657 -23.056 0.00 0.00 0.059 H -ATOM 1328 HA2 GLY A1032 -20.757 -18.422 -21.480 0.00 0.00 0.059 H -ATOM 1329 N SER A1033 -19.731 -20.428 -22.661 0.00 0.00 -0.341 N -ATOM 1330 CA SER A1033 -18.994 -21.644 -23.001 0.00 0.00 0.131 C -ATOM 1331 C SER A1033 -19.921 -22.872 -22.931 0.00 0.00 0.248 C -ATOM 1332 O SER A1033 -20.783 -22.917 -22.052 0.00 0.00 -0.272 OA -ATOM 1333 CB SER A1033 -17.814 -21.789 -22.013 0.00 0.00 0.072 C -ATOM 1334 OG SER A1033 -17.130 -23.017 -22.147 0.00 0.00 -0.394 OA -ATOM 1335 H SER A1033 -20.595 -20.566 -22.151 0.00 0.00 0.164 HD -ATOM 1336 HA SER A1033 -18.608 -21.518 -24.012 0.00 0.00 0.066 H -ATOM 1337 HB3 SER A1033 -18.158 -21.702 -20.982 0.00 0.00 0.059 H -ATOM 1338 HB2 SER A1033 -17.093 -20.992 -22.179 0.00 0.00 0.059 H -ATOM 1339 HG SER A1033 -16.210 -22.874 -21.893 0.00 0.00 0.210 HD -ATOM 1340 N PRO A1034 -19.674 -23.899 -23.780 0.00 0.00 -0.329 N -ATOM 1341 CA PRO A1034 -20.302 -25.224 -23.609 0.00 0.00 0.111 C -ATOM 1342 C PRO A1034 -19.816 -26.018 -22.372 0.00 0.00 0.243 C -ATOM 1343 O PRO A1034 -20.381 -27.076 -22.099 0.00 0.00 -0.273 OA -ATOM 1344 CB PRO A1034 -19.957 -25.942 -24.924 0.00 0.00 -0.022 C -ATOM 1345 CG PRO A1034 -18.607 -25.369 -25.317 0.00 0.00 -0.033 C -ATOM 1346 CD PRO A1034 -18.722 -23.909 -24.897 0.00 0.00 0.021 C -ATOM 1347 HA PRO A1034 -21.384 -25.123 -23.531 0.00 0.00 0.063 H -ATOM 1348 HB3 PRO A1034 -20.700 -25.687 -25.682 0.00 0.00 0.029 H -ATOM 1349 HB2 PRO A1034 -19.933 -27.030 -24.845 0.00 0.00 0.029 H -ATOM 1350 HG3 PRO A1034 -18.364 -25.500 -26.371 0.00 0.00 0.029 H -ATOM 1351 HG2 PRO A1034 -17.824 -25.853 -24.731 0.00 0.00 0.029 H -ATOM 1352 HD2 PRO A1034 -17.741 -23.506 -24.652 0.00 0.00 0.049 H -ATOM 1353 HD3 PRO A1034 -19.137 -23.318 -25.710 0.00 0.00 0.049 H -ATOM 1354 N PHE A1035 -18.800 -25.503 -21.656 0.00 0.00 -0.342 N -ATOM 1355 CA PHE A1035 -18.149 -26.132 -20.505 0.00 0.00 0.112 C -ATOM 1356 C PHE A1035 -18.480 -25.406 -19.183 0.00 0.00 0.243 C -ATOM 1357 O PHE A1035 -17.736 -25.578 -18.220 0.00 0.00 -0.273 OA -ATOM 1358 CB PHE A1035 -16.619 -26.131 -20.740 0.00 0.00 0.002 C -ATOM 1359 CG PHE A1035 -16.140 -26.660 -22.083 0.00 0.00 -0.045 A -ATOM 1360 CD1 PHE A1035 -16.572 -27.916 -22.560 0.00 0.00 -0.059 A -ATOM 1361 CD2 PHE A1035 -15.190 -25.931 -22.831 0.00 0.00 -0.059 A -ATOM 1362 CE1 PHE A1035 -16.101 -28.395 -23.775 0.00 0.00 -0.062 A -ATOM 1363 CE2 PHE A1035 -14.725 -26.433 -24.039 0.00 0.00 -0.062 A -ATOM 1364 CZ PHE A1035 -15.187 -27.654 -24.513 0.00 0.00 -0.062 A -ATOM 1365 H PHE A1035 -18.384 -24.630 -21.955 0.00 0.00 0.164 HD -ATOM 1366 HA PHE A1035 -18.485 -27.164 -20.402 0.00 0.00 0.064 H -ATOM 1367 HB3 PHE A1035 -16.129 -26.725 -19.967 0.00 0.00 0.034 H -ATOM 1368 HB2 PHE A1035 -16.240 -25.116 -20.621 0.00 0.00 0.034 H -ATOM 1369 HD1 PHE A1035 -17.279 -28.502 -21.992 0.00 0.00 0.063 H -ATOM 1370 HD2 PHE A1035 -14.824 -24.979 -22.475 0.00 0.00 0.063 H -ATOM 1371 HE1 PHE A1035 -16.445 -29.349 -24.146 0.00 0.00 0.062 H -ATOM 1372 HE2 PHE A1035 -14.000 -25.873 -24.611 0.00 0.00 0.062 H -ATOM 1373 HZ PHE A1035 -14.826 -28.032 -25.459 0.00 0.00 0.062 H -ATOM 1374 N VAL A1036 -19.567 -24.611 -19.145 0.00 0.00 -0.342 N -ATOM 1375 CA VAL A1036 -19.998 -23.799 -17.997 0.00 0.00 0.110 C -ATOM 1376 C VAL A1036 -20.158 -24.559 -16.659 0.00 0.00 0.243 C -ATOM 1377 O VAL A1036 -19.802 -24.003 -15.620 0.00 0.00 -0.273 OA -ATOM 1378 CB VAL A1036 -21.308 -23.020 -18.321 0.00 0.00 -0.018 C -ATOM 1379 CG1 VAL A1036 -22.516 -23.920 -18.645 0.00 0.00 -0.060 C -ATOM 1380 CG2 VAL A1036 -21.703 -22.001 -17.235 0.00 0.00 -0.060 C -ATOM 1381 H VAL A1036 -20.132 -24.524 -19.977 0.00 0.00 0.164 HD -ATOM 1382 HA VAL A1036 -19.208 -23.062 -17.843 0.00 0.00 0.063 H -ATOM 1383 HB VAL A1036 -21.091 -22.442 -19.219 0.00 0.00 0.032 H -ATOM 1384 HG11 VAL A1036 -23.369 -23.321 -18.964 0.00 0.00 0.023 H -ATOM 1385 HG12 VAL A1036 -22.292 -24.616 -19.453 0.00 0.00 0.023 H -ATOM 1386 HG13 VAL A1036 -22.839 -24.503 -17.783 0.00 0.00 0.023 H -ATOM 1387 HG21 VAL A1036 -22.489 -21.333 -17.590 0.00 0.00 0.023 H -ATOM 1388 HG22 VAL A1036 -22.073 -22.486 -16.330 0.00 0.00 0.023 H -ATOM 1389 HG23 VAL A1036 -20.849 -21.389 -16.956 0.00 0.00 0.023 H -ATOM 1390 N ASN A1037 -20.631 -25.818 -16.709 0.00 0.00 -0.342 N -ATOM 1391 CA AASN A1037 -20.783 -26.685 -15.535 0.00 0.00 0.116 C -ATOM 1392 C ASN A1037 -19.426 -27.152 -14.979 0.00 0.00 0.243 C -ATOM 1393 O ASN A1037 -19.256 -27.158 -13.762 0.00 0.00 -0.273 OA -ATOM 1394 CB AASN A1037 -21.692 -27.892 -15.863 0.00 0.00 0.056 C -ATOM 1395 CG AASN A1037 -23.127 -27.494 -16.226 0.00 0.00 0.220 C -ATOM 1396 ND2AASN A1037 -23.903 -27.041 -15.240 0.00 0.00 -0.370 N -ATOM 1397 OD1AASN A1037 -23.532 -27.599 -17.381 0.00 0.00 -0.275 OA -ATOM 1398 H ASN A1037 -20.883 -26.221 -17.602 0.00 0.00 0.164 HD -ATOM 1399 HA AASN A1037 -21.280 -26.090 -14.766 0.00 0.00 0.064 H -ATOM 1400 HB3AASN A1037 -21.744 -28.562 -15.003 0.00 0.00 0.039 H -ATOM 1401 HB2AASN A1037 -21.264 -28.479 -16.678 0.00 0.00 0.039 H -ATOM 1402 HD22AASN A1037 -24.861 -26.784 -15.430 0.00 0.00 0.159 HD -ATOM 1403 HD21AASN A1037 -23.549 -26.967 -14.298 0.00 0.00 0.159 HD -ATOM 1404 N ALA A1038 -18.474 -27.489 -15.866 0.00 0.00 -0.343 N -ATOM 1405 CA ALA A1038 -17.102 -27.841 -15.497 0.00 0.00 0.105 C -ATOM 1406 C ALA A1038 -16.301 -26.660 -14.923 0.00 0.00 0.242 C -ATOM 1407 O ALA A1038 -15.487 -26.883 -14.030 0.00 0.00 -0.273 OA -ATOM 1408 CB ALA A1038 -16.375 -28.448 -16.706 0.00 0.00 -0.036 C -ATOM 1409 H ALA A1038 -18.677 -27.461 -16.856 0.00 0.00 0.164 HD -ATOM 1410 HA ALA A1038 -17.157 -28.605 -14.720 0.00 0.00 0.063 H -ATOM 1411 HB1 ALA A1038 -15.338 -28.686 -16.468 0.00 0.00 0.026 H -ATOM 1412 HB2 ALA A1038 -16.855 -29.372 -17.028 0.00 0.00 0.026 H -ATOM 1413 HB3 ALA A1038 -16.365 -27.766 -17.557 0.00 0.00 0.026 H -ATOM 1414 N ILE A1039 -16.557 -25.439 -15.426 0.00 0.00 -0.342 N -ATOM 1415 CA ILE A1039 -15.893 -24.206 -15.001 0.00 0.00 0.110 C -ATOM 1416 C ILE A1039 -16.275 -23.773 -13.571 0.00 0.00 0.243 C -ATOM 1417 O ILE A1039 -15.383 -23.358 -12.835 0.00 0.00 -0.273 OA -ATOM 1418 CB ILE A1039 -16.147 -23.039 -16.002 0.00 0.00 -0.015 C -ATOM 1419 CG1 ILE A1039 -15.442 -23.316 -17.347 0.00 0.00 -0.051 C -ATOM 1420 CG2 ILE A1039 -15.728 -21.640 -15.501 0.00 0.00 -0.060 C -ATOM 1421 CD1 ILE A1039 -15.965 -22.474 -18.520 0.00 0.00 -0.065 C -ATOM 1422 H ILE A1039 -17.230 -25.346 -16.175 0.00 0.00 0.164 HD -ATOM 1423 HA ILE A1039 -14.818 -24.406 -14.996 0.00 0.00 0.064 H -ATOM 1424 HB ILE A1039 -17.221 -23.006 -16.193 0.00 0.00 0.033 H -ATOM 1425 HG13 ILE A1039 -15.532 -24.366 -17.617 0.00 0.00 0.027 H -ATOM 1426 HG12 ILE A1039 -14.374 -23.136 -17.228 0.00 0.00 0.027 H -ATOM 1427 HG21 ILE A1039 -15.869 -20.889 -16.276 0.00 0.00 0.023 H -ATOM 1428 HG22 ILE A1039 -16.323 -21.311 -14.651 0.00 0.00 0.023 H -ATOM 1429 HG23 ILE A1039 -14.678 -21.620 -15.208 0.00 0.00 0.023 H -ATOM 1430 HD11 ILE A1039 -15.915 -23.037 -19.451 0.00 0.00 0.023 H -ATOM 1431 HD12 ILE A1039 -17.001 -22.166 -18.379 0.00 0.00 0.023 H -ATOM 1432 HD13 ILE A1039 -15.363 -21.576 -18.648 0.00 0.00 0.023 H -ATOM 1433 N ILE A1040 -17.560 -23.887 -13.183 0.00 0.00 -0.342 N -ATOM 1434 CA ILE A1040 -18.000 -23.538 -11.825 0.00 0.00 0.110 C -ATOM 1435 C ILE A1040 -17.550 -24.548 -10.751 0.00 0.00 0.243 C -ATOM 1436 O ILE A1040 -17.344 -24.130 -9.613 0.00 0.00 -0.273 OA -ATOM 1437 CB ILE A1040 -19.537 -23.328 -11.702 0.00 0.00 -0.015 C -ATOM 1438 CG1 ILE A1040 -20.398 -24.573 -12.032 0.00 0.00 -0.051 C -ATOM 1439 CG2 ILE A1040 -19.979 -22.101 -12.516 0.00 0.00 -0.060 C -ATOM 1440 CD1 ILE A1040 -21.879 -24.427 -11.657 0.00 0.00 -0.065 C -ATOM 1441 H ILE A1040 -18.265 -24.217 -13.828 0.00 0.00 0.164 HD -ATOM 1442 HA ILE A1040 -17.529 -22.588 -11.565 0.00 0.00 0.064 H -ATOM 1443 HB ILE A1040 -19.738 -23.081 -10.658 0.00 0.00 0.033 H -ATOM 1444 HG13 ILE A1040 -20.019 -25.459 -11.524 0.00 0.00 0.027 H -ATOM 1445 HG12 ILE A1040 -20.321 -24.783 -13.096 0.00 0.00 0.027 H -ATOM 1446 HG21 ILE A1040 -21.025 -21.851 -12.338 0.00 0.00 0.023 H -ATOM 1447 HG22 ILE A1040 -19.389 -21.222 -12.257 0.00 0.00 0.023 H -ATOM 1448 HG23 ILE A1040 -19.855 -22.277 -13.584 0.00 0.00 0.023 H -ATOM 1449 HD11 ILE A1040 -22.351 -25.405 -11.560 0.00 0.00 0.023 H -ATOM 1450 HD12 ILE A1040 -22.004 -23.908 -10.707 0.00 0.00 0.023 H -ATOM 1451 HD13 ILE A1040 -22.426 -23.872 -12.420 0.00 0.00 0.023 H -ATOM 1452 N HIS A1041 -17.390 -25.832 -11.123 0.00 0.00 -0.342 N -ATOM 1453 CA HIS A1041 -17.028 -26.910 -10.204 0.00 0.00 0.113 C -ATOM 1454 C HIS A1041 -15.512 -27.115 -10.060 0.00 0.00 0.243 C -ATOM 1455 O HIS A1041 -15.047 -27.254 -8.928 0.00 0.00 -0.273 OA -ATOM 1456 CB HIS A1041 -17.743 -28.218 -10.609 0.00 0.00 0.021 C -ATOM 1457 CG HIS A1041 -19.215 -28.247 -10.271 0.00 0.00 0.061 A -ATOM 1458 CD2 HIS A1041 -20.298 -28.508 -11.086 0.00 0.00 0.024 A -ATOM 1459 ND1 HIS A1041 -19.684 -28.011 -8.973 0.00 0.00 -0.242 NA -ATOM 1460 CE1 HIS A1041 -21.004 -28.107 -9.058 0.00 0.00 0.092 A -ATOM 1461 NE2 HIS A1041 -21.423 -28.400 -10.288 0.00 0.00 -0.351 N -ATOM 1462 H HIS A1041 -17.574 -26.099 -12.080 0.00 0.00 0.164 HD -ATOM 1463 HA HIS A1041 -17.381 -26.647 -9.207 0.00 0.00 0.064 H -ATOM 1464 HB3 HIS A1041 -17.285 -29.072 -10.109 0.00 0.00 0.036 H -ATOM 1465 HB2 HIS A1041 -17.624 -28.397 -11.679 0.00 0.00 0.036 H -ATOM 1466 HD2 HIS A1041 -20.360 -28.750 -12.136 0.00 0.00 0.084 H -ATOM 1467 HE1 HIS A1041 -21.666 -27.967 -8.216 0.00 0.00 0.104 H -ATOM 1468 HE2 HIS A1041 -22.382 -28.528 -10.579 0.00 0.00 0.167 HD -ATOM 1469 N LYS A1042 -14.775 -27.145 -11.183 0.00 0.00 -0.343 N -ATOM 1470 CA LYS A1042 -13.334 -27.423 -11.213 0.00 0.00 0.108 C -ATOM 1471 C LYS A1042 -12.473 -26.165 -11.403 0.00 0.00 0.243 C -ATOM 1472 O LYS A1042 -11.262 -26.257 -11.199 0.00 0.00 -0.273 OA -ATOM 1473 CB LYS A1042 -13.026 -28.454 -12.319 0.00 0.00 -0.023 C -ATOM 1474 CG LYS A1042 -13.620 -29.845 -12.032 0.00 0.00 -0.045 C -ATOM 1475 CD LYS A1042 -13.243 -30.904 -13.084 0.00 0.00 -0.004 C -ATOM 1476 CE LYS A1042 -13.934 -30.732 -14.446 0.00 0.00 0.074 C -ATOM 1477 NZ LYS A1042 -15.388 -30.946 -14.352 0.00 0.00 -0.358 N -ATOM 1478 H LYS A1042 -15.220 -27.011 -12.082 0.00 0.00 0.164 HD -ATOM 1479 HA LYS A1042 -13.022 -27.865 -10.265 0.00 0.00 0.063 H -ATOM 1480 HB3 LYS A1042 -11.944 -28.571 -12.408 0.00 0.00 0.029 H -ATOM 1481 HB2 LYS A1042 -13.360 -28.080 -13.285 0.00 0.00 0.029 H -ATOM 1482 HG3 LYS A1042 -14.705 -29.778 -11.942 0.00 0.00 0.027 H -ATOM 1483 HG2 LYS A1042 -13.264 -30.183 -11.058 0.00 0.00 0.027 H -ATOM 1484 HD3 LYS A1042 -13.464 -31.896 -12.687 0.00 0.00 0.032 H -ATOM 1485 HD2 LYS A1042 -12.163 -30.887 -13.234 0.00 0.00 0.032 H -ATOM 1486 HE3 LYS A1042 -13.530 -31.454 -15.156 0.00 0.00 0.092 H -ATOM 1487 HE2 LYS A1042 -13.743 -29.742 -14.860 0.00 0.00 0.092 H -ATOM 1488 HZ1 LYS A1042 -15.807 -30.845 -15.266 0.00 0.00 0.344 HD -ATOM 1489 HZ2 LYS A1042 -15.572 -31.875 -14.000 0.00 0.00 0.344 HD -ATOM 1490 HZ3 LYS A1042 -15.787 -30.263 -13.722 0.00 0.00 0.344 HD -ATOM 1491 N GLY A1043 -13.084 -25.028 -11.773 0.00 0.00 -0.345 N -ATOM 1492 CA GLY A1043 -12.390 -23.769 -12.050 0.00 0.00 0.097 C -ATOM 1493 C GLY A1043 -11.957 -23.705 -13.520 0.00 0.00 0.240 C -ATOM 1494 O GLY A1043 -11.968 -24.708 -14.234 0.00 0.00 -0.273 OA -ATOM 1495 H GLY A1043 -14.084 -25.027 -11.919 0.00 0.00 0.164 HD -ATOM 1496 HA3 GLY A1043 -11.512 -23.653 -11.413 0.00 0.00 0.059 H -ATOM 1497 HA2 GLY A1043 -13.053 -22.935 -11.821 0.00 0.00 0.059 H -ATOM 1498 N PHE A1044 -11.545 -22.503 -13.952 0.00 0.00 -0.342 N -ATOM 1499 CA PHE A1044 -10.929 -22.237 -15.255 0.00 0.00 0.112 C -ATOM 1500 C PHE A1044 -9.565 -22.935 -15.427 0.00 0.00 0.243 C -ATOM 1501 O PHE A1044 -8.807 -23.015 -14.459 0.00 0.00 -0.273 OA -ATOM 1502 CB PHE A1044 -10.771 -20.714 -15.429 0.00 0.00 0.002 C -ATOM 1503 CG PHE A1044 -12.021 -19.957 -15.827 0.00 0.00 -0.045 A -ATOM 1504 CD1 PHE A1044 -12.543 -20.097 -17.128 0.00 0.00 -0.059 A -ATOM 1505 CD2 PHE A1044 -12.702 -19.146 -14.895 0.00 0.00 -0.059 A -ATOM 1506 CE1 PHE A1044 -13.674 -19.387 -17.496 0.00 0.00 -0.062 A -ATOM 1507 CE2 PHE A1044 -13.839 -18.449 -15.283 0.00 0.00 -0.062 A -ATOM 1508 CZ PHE A1044 -14.319 -18.564 -16.582 0.00 0.00 -0.062 A -ATOM 1509 H PHE A1044 -11.573 -21.721 -13.312 0.00 0.00 0.164 HD -ATOM 1510 HA PHE A1044 -11.598 -22.609 -16.030 0.00 0.00 0.064 H -ATOM 1511 HB3 PHE A1044 -10.017 -20.495 -16.185 0.00 0.00 0.034 H -ATOM 1512 HB2 PHE A1044 -10.394 -20.280 -14.505 0.00 0.00 0.034 H -ATOM 1513 HD1 PHE A1044 -12.052 -20.736 -17.848 0.00 0.00 0.063 H -ATOM 1514 HD2 PHE A1044 -12.329 -19.040 -13.888 0.00 0.00 0.063 H -ATOM 1515 HE1 PHE A1044 -14.048 -19.477 -18.502 0.00 0.00 0.062 H -ATOM 1516 HE2 PHE A1044 -14.348 -17.811 -14.575 0.00 0.00 0.062 H -ATOM 1517 HZ PHE A1044 -15.201 -18.020 -16.884 0.00 0.00 0.062 H -ATOM 1518 N ASP A1045 -9.264 -23.384 -16.658 0.00 0.00 -0.342 N -ATOM 1519 CA ASP A1045 -7.992 -24.020 -17.030 0.00 0.00 0.113 C -ATOM 1520 C ASP A1045 -7.833 -24.063 -18.566 0.00 0.00 0.243 C -ATOM 1521 O ASP A1045 -8.605 -23.426 -19.285 0.00 0.00 -0.273 OA -ATOM 1522 CB ASP A1045 -7.746 -25.394 -16.339 0.00 0.00 0.016 C -ATOM 1523 CG ASP A1045 -8.896 -26.401 -16.429 0.00 0.00 0.044 C -ATOM 1524 OD1 ASP A1045 -9.430 -26.582 -17.546 0.00 0.00 -0.550 OA -ATOM 1525 OD2 ASP A1045 -9.152 -27.056 -15.394 0.00 0.00 -0.550 O -ATOM 1526 H ASP A1045 -9.942 -23.303 -17.403 0.00 0.00 0.164 HD -ATOM 1527 HA ASP A1045 -7.199 -23.350 -16.692 0.00 0.00 0.064 H -ATOM 1528 HB3 ASP A1045 -7.562 -25.200 -15.282 0.00 0.00 0.036 H -ATOM 1529 HB2 ASP A1045 -6.836 -25.879 -16.686 0.00 0.00 0.036 H -ATOM 1530 N GLU A1046 -6.818 -24.805 -19.045 0.00 0.00 -0.342 N -ATOM 1531 CA GLU A1046 -6.475 -24.997 -20.458 0.00 0.00 0.108 C -ATOM 1532 C GLU A1046 -7.549 -25.709 -21.305 0.00 0.00 0.243 C -ATOM 1533 O GLU A1046 -7.571 -25.491 -22.516 0.00 0.00 -0.273 OA -ATOM 1534 CB GLU A1046 -5.102 -25.702 -20.583 0.00 0.00 -0.018 C -ATOM 1535 CG GLU A1046 -5.015 -27.194 -20.170 0.00 0.00 -0.011 C -ATOM 1536 CD GLU A1046 -5.191 -27.460 -18.672 0.00 0.00 0.041 C -ATOM 1537 OE1 GLU A1046 -4.655 -26.654 -17.879 0.00 0.00 -0.550 OA -ATOM 1538 OE2 GLU A1046 -5.869 -28.458 -18.346 0.00 0.00 -0.550 O -ATOM 1539 H GLU A1046 -6.228 -25.306 -18.391 0.00 0.00 0.164 HD -ATOM 1540 HA GLU A1046 -6.367 -23.998 -20.883 0.00 0.00 0.063 H -ATOM 1541 HB3 GLU A1046 -4.359 -25.131 -20.025 0.00 0.00 0.030 H -ATOM 1542 HB2 GLU A1046 -4.779 -25.626 -21.622 0.00 0.00 0.030 H -ATOM 1543 HG3 GLU A1046 -4.036 -27.583 -20.448 0.00 0.00 0.033 H -ATOM 1544 HG2 GLU A1046 -5.737 -27.789 -20.730 0.00 0.00 0.033 H -ATOM 1545 N ARG A1047 -8.432 -26.509 -20.676 0.00 0.00 -0.343 N -ATOM 1546 CA ARG A1047 -9.579 -27.142 -21.344 0.00 0.00 0.108 C -ATOM 1547 C ARG A1047 -10.686 -26.141 -21.727 0.00 0.00 0.243 C -ATOM 1548 O ARG A1047 -11.538 -26.475 -22.550 0.00 0.00 -0.273 OA -ATOM 1549 CB ARG A1047 -10.180 -28.255 -20.463 0.00 0.00 -0.021 C -ATOM 1550 CG ARG A1047 -9.165 -29.293 -19.953 0.00 0.00 -0.020 C -ATOM 1551 CD ARG A1047 -9.837 -30.513 -19.302 0.00 0.00 0.064 C -ATOM 1552 NE ARG A1047 -10.623 -30.134 -18.120 0.00 0.00 -0.278 N -ATOM 1553 CZ ARG A1047 -10.123 -29.749 -16.935 0.00 0.00 0.338 C -ATOM 1554 NH1 ARG A1047 -8.806 -29.782 -16.683 0.00 0.00 -0.291 N -ATOM 1555 NH2 ARG A1047 -10.964 -29.306 -15.993 0.00 0.00 -0.291 N -ATOM 1556 H ARG A1047 -8.369 -26.637 -19.674 0.00 0.00 0.164 HD -ATOM 1557 HA ARG A1047 -9.222 -27.602 -22.268 0.00 0.00 0.063 H -ATOM 1558 HB3 ARG A1047 -10.945 -28.773 -21.043 0.00 0.00 0.029 H -ATOM 1559 HB2 ARG A1047 -10.699 -27.813 -19.610 0.00 0.00 0.029 H -ATOM 1560 HG3 ARG A1047 -8.500 -28.811 -19.236 0.00 0.00 0.030 H -ATOM 1561 HG2 ARG A1047 -8.527 -29.638 -20.766 0.00 0.00 0.030 H -ATOM 1562 HD3 ARG A1047 -9.111 -31.291 -19.064 0.00 0.00 0.066 H -ATOM 1563 HD2 ARG A1047 -10.533 -30.954 -20.016 0.00 0.00 0.066 H -ATOM 1564 HE ARG A1047 -11.620 -30.040 -18.269 0.00 0.00 0.260 HD -ATOM 1565 HH12 ARG A1047 -8.449 -29.376 -15.829 0.00 0.00 0.256 HD -ATOM 1566 HH11 ARG A1047 -8.153 -30.066 -17.400 0.00 0.00 0.256 HD -ATOM 1567 HH22 ARG A1047 -10.583 -28.875 -15.161 0.00 0.00 0.256 HD -ATOM 1568 HH21 ARG A1047 -11.951 -29.233 -16.186 0.00 0.00 0.256 HD -ATOM 1569 N HIS A1048 -10.652 -24.947 -21.115 0.00 0.00 -0.342 N -ATOM 1570 CA HIS A1048 -11.617 -23.863 -21.281 0.00 0.00 0.113 C -ATOM 1571 C HIS A1048 -11.078 -22.731 -22.177 0.00 0.00 0.243 C -ATOM 1572 O HIS A1048 -11.766 -21.723 -22.343 0.00 0.00 -0.273 OA -ATOM 1573 CB HIS A1048 -12.033 -23.379 -19.873 0.00 0.00 0.021 C -ATOM 1574 CG HIS A1048 -12.503 -24.498 -18.973 0.00 0.00 0.061 A -ATOM 1575 CD2 HIS A1048 -13.381 -25.523 -19.261 0.00 0.00 0.024 A -ATOM 1576 ND1 HIS A1048 -12.035 -24.667 -17.668 0.00 0.00 -0.242 NA -ATOM 1577 CE1 HIS A1048 -12.625 -25.772 -17.232 0.00 0.00 0.092 A -ATOM 1578 NE2 HIS A1048 -13.438 -26.320 -18.134 0.00 0.00 -0.351 N -ATOM 1579 H HIS A1048 -9.910 -24.766 -20.452 0.00 0.00 0.164 HD -ATOM 1580 HA HIS A1048 -12.509 -24.247 -21.778 0.00 0.00 0.064 H -ATOM 1581 HB3 HIS A1048 -12.826 -22.635 -19.925 0.00 0.00 0.036 H -ATOM 1582 HB2 HIS A1048 -11.194 -22.879 -19.388 0.00 0.00 0.036 H -ATOM 1583 HD2 HIS A1048 -13.925 -25.754 -20.163 0.00 0.00 0.084 H -ATOM 1584 HE1 HIS A1048 -12.454 -26.195 -16.254 0.00 0.00 0.104 H -ATOM 1585 HE2 HIS A1048 -13.969 -27.173 -18.024 0.00 0.00 0.167 HD -ATOM 1586 N ALA A1049 -9.881 -22.915 -22.762 0.00 0.00 -0.343 N -ATOM 1587 CA ALA A1049 -9.280 -21.991 -23.719 0.00 0.00 0.105 C -ATOM 1588 C ALA A1049 -9.873 -22.162 -25.130 0.00 0.00 0.242 C -ATOM 1589 O ALA A1049 -10.086 -23.292 -25.572 0.00 0.00 -0.273 OA -ATOM 1590 CB ALA A1049 -7.760 -22.219 -23.737 0.00 0.00 -0.036 C -ATOM 1591 H ALA A1049 -9.367 -23.766 -22.583 0.00 0.00 0.164 HD -ATOM 1592 HA ALA A1049 -9.470 -20.977 -23.371 0.00 0.00 0.063 H -ATOM 1593 HB1 ALA A1049 -7.263 -21.536 -24.427 0.00 0.00 0.026 H -ATOM 1594 HB2 ALA A1049 -7.328 -22.054 -22.750 0.00 0.00 0.026 H -ATOM 1595 HB3 ALA A1049 -7.508 -23.234 -24.044 0.00 0.00 0.026 H -ATOM 1596 N TYR A1050 -10.073 -21.031 -25.827 0.00 0.00 -0.342 N -ATOM 1597 CA TYR A1050 -10.402 -20.976 -27.250 0.00 0.00 0.112 C -ATOM 1598 C TYR A1050 -9.088 -21.054 -28.041 0.00 0.00 0.243 C -ATOM 1599 O TYR A1050 -8.403 -20.042 -28.191 0.00 0.00 -0.273 OA -ATOM 1600 CB TYR A1050 -11.195 -19.686 -27.549 0.00 0.00 0.002 C -ATOM 1601 CG TYR A1050 -11.705 -19.457 -28.971 0.00 0.00 -0.045 A -ATOM 1602 CD1 TYR A1050 -11.682 -20.469 -29.959 0.00 0.00 -0.055 A -ATOM 1603 CD2 TYR A1050 -12.237 -18.193 -29.301 0.00 0.00 -0.055 A -ATOM 1604 CE1 TYR A1050 -12.139 -20.207 -31.264 0.00 0.00 -0.020 A -ATOM 1605 CE2 TYR A1050 -12.729 -17.943 -30.596 0.00 0.00 -0.020 A -ATOM 1606 CZ TYR A1050 -12.660 -18.940 -31.585 0.00 0.00 0.115 A -ATOM 1607 OH TYR A1050 -13.089 -18.675 -32.853 0.00 0.00 -0.508 OA -ATOM 1608 H TYR A1050 -9.846 -20.144 -25.395 0.00 0.00 0.164 HD -ATOM 1609 HA TYR A1050 -11.039 -21.825 -27.498 0.00 0.00 0.064 H -ATOM 1610 HB3 TYR A1050 -10.579 -18.829 -27.290 0.00 0.00 0.034 H -ATOM 1611 HB2 TYR A1050 -12.050 -19.635 -26.880 0.00 0.00 0.034 H -ATOM 1612 HD1 TYR A1050 -11.303 -21.455 -29.740 0.00 0.00 0.063 H -ATOM 1613 HD2 TYR A1050 -12.280 -17.412 -28.555 0.00 0.00 0.063 H -ATOM 1614 HE1 TYR A1050 -12.087 -20.981 -32.015 0.00 0.00 0.066 H -ATOM 1615 HE2 TYR A1050 -13.151 -16.981 -30.835 0.00 0.00 0.066 H -ATOM 1616 HH TYR A1050 -12.937 -19.406 -33.465 0.00 0.00 0.293 HD -ATOM 1617 N ILE A1051 -8.762 -22.274 -28.495 0.00 0.00 -0.342 N -ATOM 1618 CA ILE A1051 -7.497 -22.625 -29.141 0.00 0.00 0.110 C -ATOM 1619 C ILE A1051 -7.287 -21.915 -30.497 0.00 0.00 0.243 C -ATOM 1620 O ILE A1051 -6.174 -21.466 -30.768 0.00 0.00 -0.273 OA -ATOM 1621 CB ILE A1051 -7.380 -24.169 -29.333 0.00 0.00 -0.015 C -ATOM 1622 CG1 ILE A1051 -7.588 -24.948 -28.008 0.00 0.00 -0.051 C -ATOM 1623 CG2 ILE A1051 -6.076 -24.628 -30.023 0.00 0.00 -0.060 C -ATOM 1624 CD1 ILE A1051 -6.648 -24.552 -26.858 0.00 0.00 -0.065 C -ATOM 1625 H ILE A1051 -9.395 -23.045 -28.331 0.00 0.00 0.164 HD -ATOM 1626 HA ILE A1051 -6.695 -22.299 -28.480 0.00 0.00 0.064 H -ATOM 1627 HB ILE A1051 -8.197 -24.478 -29.988 0.00 0.00 0.033 H -ATOM 1628 HG13 ILE A1051 -7.495 -26.018 -28.194 0.00 0.00 0.027 H -ATOM 1629 HG12 ILE A1051 -8.614 -24.814 -27.666 0.00 0.00 0.027 H -ATOM 1630 HG21 ILE A1051 -6.020 -25.715 -30.071 0.00 0.00 0.023 H -ATOM 1631 HG22 ILE A1051 -6.003 -24.269 -31.050 0.00 0.00 0.023 H -ATOM 1632 HG23 ILE A1051 -5.195 -24.276 -29.486 0.00 0.00 0.023 H -ATOM 1633 HD11 ILE A1051 -6.726 -25.263 -26.035 0.00 0.00 0.023 H -ATOM 1634 HD12 ILE A1051 -5.605 -24.528 -27.173 0.00 0.00 0.023 H -ATOM 1635 HD13 ILE A1051 -6.902 -23.569 -26.460 0.00 0.00 0.023 H -ATOM 1636 N GLY A1052 -8.364 -21.793 -31.290 0.00 0.00 -0.345 N -ATOM 1637 CA GLY A1052 -8.375 -21.170 -32.613 0.00 0.00 0.097 C -ATOM 1638 C GLY A1052 -8.700 -19.667 -32.567 0.00 0.00 0.239 C -ATOM 1639 O GLY A1052 -9.024 -19.107 -33.614 0.00 0.00 -0.273 OA -ATOM 1640 H GLY A1052 -9.236 -22.207 -30.988 0.00 0.00 0.164 HD -ATOM 1641 HA3 GLY A1052 -9.133 -21.671 -33.215 0.00 0.00 0.059 H -ATOM 1642 HA2 GLY A1052 -7.421 -21.317 -33.121 0.00 0.00 0.059 H -ATOM 1643 N GLY A1053 -8.645 -19.018 -31.389 0.00 0.00 -0.346 N -ATOM 1644 CA GLY A1053 -8.975 -17.603 -31.207 0.00 0.00 0.097 C -ATOM 1645 C GLY A1053 -7.925 -16.670 -31.843 0.00 0.00 0.240 C -ATOM 1646 O GLY A1053 -6.771 -17.059 -32.032 0.00 0.00 -0.273 OA -ATOM 1647 H GLY A1053 -8.374 -19.529 -30.560 0.00 0.00 0.164 HD -ATOM 1648 HA3 GLY A1053 -9.045 -17.405 -30.139 0.00 0.00 0.059 H -ATOM 1649 HA2 GLY A1053 -9.959 -17.406 -31.630 0.00 0.00 0.059 H -ATOM 1650 N MET A1054 -8.342 -15.425 -32.144 0.00 0.00 -0.343 N -ATOM 1651 CA MET A1054 -7.551 -14.366 -32.794 0.00 0.00 0.109 C -ATOM 1652 C MET A1054 -6.221 -14.003 -32.106 0.00 0.00 0.243 C -ATOM 1653 O MET A1054 -5.264 -13.673 -32.805 0.00 0.00 -0.273 OA -ATOM 1654 CB MET A1054 -8.406 -13.085 -32.915 0.00 0.00 -0.015 C -ATOM 1655 CG MET A1054 -9.397 -13.092 -34.087 0.00 0.00 -0.005 C -ATOM 1656 SD MET A1054 -10.570 -11.706 -34.084 0.00 0.00 -0.165 SA -ATOM 1657 CE MET A1054 -9.431 -10.299 -34.213 0.00 0.00 -0.018 C -ATOM 1658 H MET A1054 -9.309 -15.189 -31.964 0.00 0.00 0.164 HD -ATOM 1659 HA MET A1054 -7.297 -14.715 -33.796 0.00 0.00 0.063 H -ATOM 1660 HB3 MET A1054 -7.749 -12.225 -33.053 0.00 0.00 0.030 H -ATOM 1661 HB2 MET A1054 -8.936 -12.896 -31.979 0.00 0.00 0.030 H -ATOM 1662 HG3 MET A1054 -9.969 -14.017 -34.089 0.00 0.00 0.038 H -ATOM 1663 HG2 MET A1054 -8.849 -13.073 -35.030 0.00 0.00 0.038 H -ATOM 1664 HE1 MET A1054 -9.985 -9.371 -34.338 0.00 0.00 0.034 H -ATOM 1665 HE2 MET A1054 -8.825 -10.206 -33.312 0.00 0.00 0.034 H -ATOM 1666 HE3 MET A1054 -8.769 -10.422 -35.070 0.00 0.00 0.034 H -ATOM 1667 N PHE A1055 -6.196 -14.051 -30.766 0.00 0.00 -0.342 N -ATOM 1668 CA PHE A1055 -5.057 -13.658 -29.933 0.00 0.00 0.112 C -ATOM 1669 C PHE A1055 -4.339 -14.895 -29.353 0.00 0.00 0.243 C -ATOM 1670 O PHE A1055 -3.708 -14.791 -28.301 0.00 0.00 -0.273 OA -ATOM 1671 CB PHE A1055 -5.555 -12.694 -28.832 0.00 0.00 0.002 C -ATOM 1672 CG PHE A1055 -6.385 -11.524 -29.344 0.00 0.00 -0.045 A -ATOM 1673 CD1 PHE A1055 -5.817 -10.576 -30.221 0.00 0.00 -0.059 A -ATOM 1674 CD2 PHE A1055 -7.757 -11.429 -29.029 0.00 0.00 -0.059 A -ATOM 1675 CE1 PHE A1055 -6.608 -9.569 -30.759 0.00 0.00 -0.062 A -ATOM 1676 CE2 PHE A1055 -8.528 -10.409 -29.569 0.00 0.00 -0.062 A -ATOM 1677 CZ PHE A1055 -7.955 -9.486 -30.434 0.00 0.00 -0.062 A -ATOM 1678 H PHE A1055 -7.021 -14.354 -30.264 0.00 0.00 0.164 HD -ATOM 1679 HA PHE A1055 -4.318 -13.125 -30.534 0.00 0.00 0.064 H -ATOM 1680 HB3 PHE A1055 -4.696 -12.287 -28.296 0.00 0.00 0.034 H -ATOM 1681 HB2 PHE A1055 -6.133 -13.246 -28.092 0.00 0.00 0.034 H -ATOM 1682 HD1 PHE A1055 -4.775 -10.644 -30.497 0.00 0.00 0.063 H -ATOM 1683 HD2 PHE A1055 -8.217 -12.152 -28.375 0.00 0.00 0.063 H -ATOM 1684 HE1 PHE A1055 -6.177 -8.855 -31.444 0.00 0.00 0.062 H -ATOM 1685 HE2 PHE A1055 -9.579 -10.342 -29.327 0.00 0.00 0.062 H -ATOM 1686 HZ PHE A1055 -8.565 -8.705 -30.861 0.00 0.00 0.062 H -ATOM 1687 N GLY A1056 -4.439 -16.042 -30.047 0.00 0.00 -0.345 N -ATOM 1688 CA GLY A1056 -3.839 -17.313 -29.647 0.00 0.00 0.097 C -ATOM 1689 C GLY A1056 -4.756 -18.083 -28.686 0.00 0.00 0.240 C -ATOM 1690 O GLY A1056 -5.868 -17.652 -28.370 0.00 0.00 -0.273 OA -ATOM 1691 H GLY A1056 -4.986 -16.051 -30.897 0.00 0.00 0.164 HD -ATOM 1692 HA3 GLY A1056 -2.865 -17.152 -29.181 0.00 0.00 0.059 H -ATOM 1693 HA2 GLY A1056 -3.667 -17.913 -30.539 0.00 0.00 0.059 H -ATOM 1694 N ALA A1057 -4.262 -19.246 -28.234 0.00 0.00 -0.343 N -ATOM 1695 CA ALA A1057 -4.920 -20.122 -27.267 0.00 0.00 0.105 C -ATOM 1696 C ALA A1057 -4.913 -19.510 -25.858 0.00 0.00 0.242 C -ATOM 1697 O ALA A1057 -3.882 -19.523 -25.192 0.00 0.00 -0.273 OA -ATOM 1698 CB ALA A1057 -4.240 -21.500 -27.290 0.00 0.00 -0.036 C -ATOM 1699 H ALA A1057 -3.355 -19.553 -28.558 0.00 0.00 0.164 HD -ATOM 1700 HA ALA A1057 -5.954 -20.259 -27.579 0.00 0.00 0.063 H -ATOM 1701 HB1 ALA A1057 -4.685 -22.171 -26.554 0.00 0.00 0.026 H -ATOM 1702 HB2 ALA A1057 -4.345 -21.972 -28.267 0.00 0.00 0.026 H -ATOM 1703 HB3 ALA A1057 -3.175 -21.433 -27.075 0.00 0.00 0.026 H -ATOM 1704 N GLY A1058 -6.065 -18.982 -25.435 0.00 0.00 -0.345 N -ATOM 1705 CA GLY A1058 -6.262 -18.429 -24.099 0.00 0.00 0.097 C -ATOM 1706 C GLY A1058 -7.755 -18.503 -23.777 0.00 0.00 0.240 C -ATOM 1707 O GLY A1058 -8.551 -18.931 -24.611 0.00 0.00 -0.273 OA -ATOM 1708 H GLY A1058 -6.874 -18.999 -26.040 0.00 0.00 0.164 HD -ATOM 1709 HA3 GLY A1058 -5.913 -17.398 -24.069 0.00 0.00 0.059 H -ATOM 1710 HA2 GLY A1058 -5.704 -18.992 -23.352 0.00 0.00 0.059 H -ATOM 1711 N ILE A1059 -8.136 -18.089 -22.561 0.00 0.00 -0.343 N -ATOM 1712 CA ILE A1059 -9.525 -18.076 -22.096 0.00 0.00 0.110 C -ATOM 1713 C ILE A1059 -10.084 -16.656 -22.309 0.00 0.00 0.243 C -ATOM 1714 O ILE A1059 -9.541 -15.701 -21.751 0.00 0.00 -0.273 OA -ATOM 1715 CB ILE A1059 -9.644 -18.457 -20.592 0.00 0.00 -0.015 C -ATOM 1716 CG1 ILE A1059 -8.945 -19.806 -20.290 0.00 0.00 -0.051 C -ATOM 1717 CG2 ILE A1059 -11.113 -18.504 -20.113 0.00 0.00 -0.060 C -ATOM 1718 CD1 ILE A1059 -8.848 -20.143 -18.797 0.00 0.00 -0.065 C -ATOM 1719 H ILE A1059 -7.445 -17.720 -21.920 0.00 0.00 0.164 HD -ATOM 1720 HA ILE A1059 -10.121 -18.789 -22.665 0.00 0.00 0.064 H -ATOM 1721 HB ILE A1059 -9.133 -17.691 -20.009 0.00 0.00 0.033 H -ATOM 1722 HG13 ILE A1059 -7.932 -19.814 -20.691 0.00 0.00 0.027 H -ATOM 1723 HG12 ILE A1059 -9.470 -20.610 -20.805 0.00 0.00 0.027 H -ATOM 1724 HG21 ILE A1059 -11.163 -18.654 -19.036 0.00 0.00 0.023 H -ATOM 1725 HG22 ILE A1059 -11.659 -17.585 -20.321 0.00 0.00 0.023 H -ATOM 1726 HG23 ILE A1059 -11.658 -19.319 -20.589 0.00 0.00 0.023 H -ATOM 1727 HD11 ILE A1059 -7.911 -20.654 -18.574 0.00 0.00 0.023 H -ATOM 1728 HD12 ILE A1059 -8.891 -19.249 -18.175 0.00 0.00 0.023 H -ATOM 1729 HD13 ILE A1059 -9.660 -20.804 -18.499 0.00 0.00 0.023 H -ATOM 1730 N TYR A1060 -11.130 -16.555 -23.144 0.00 0.00 -0.342 N -ATOM 1731 CA TYR A1060 -11.667 -15.292 -23.655 0.00 0.00 0.112 C -ATOM 1732 C TYR A1060 -12.842 -14.789 -22.810 0.00 0.00 0.243 C -ATOM 1733 O TYR A1060 -13.667 -15.581 -22.362 0.00 0.00 -0.273 OA -ATOM 1734 CB TYR A1060 -12.118 -15.473 -25.118 0.00 0.00 0.002 C -ATOM 1735 CG TYR A1060 -11.001 -15.507 -26.143 0.00 0.00 -0.045 A -ATOM 1736 CD1 TYR A1060 -10.048 -16.540 -26.105 0.00 0.00 -0.055 A -ATOM 1737 CD2 TYR A1060 -10.900 -14.509 -27.134 0.00 0.00 -0.055 A -ATOM 1738 CE1 TYR A1060 -8.964 -16.551 -26.999 0.00 0.00 -0.020 A -ATOM 1739 CE2 TYR A1060 -9.837 -14.535 -28.057 0.00 0.00 -0.020 A -ATOM 1740 CZ TYR A1060 -8.851 -15.537 -27.965 0.00 0.00 0.115 A -ATOM 1741 OH TYR A1060 -7.775 -15.522 -28.796 0.00 0.00 -0.508 OA -ATOM 1742 H TYR A1060 -11.537 -17.396 -23.533 0.00 0.00 0.164 HD -ATOM 1743 HA TYR A1060 -10.874 -14.544 -23.642 0.00 0.00 0.064 H -ATOM 1744 HB3 TYR A1060 -12.763 -14.637 -25.388 0.00 0.00 0.034 H -ATOM 1745 HB2 TYR A1060 -12.722 -16.374 -25.217 0.00 0.00 0.034 H -ATOM 1746 HD1 TYR A1060 -10.151 -17.326 -25.380 0.00 0.00 0.063 H -ATOM 1747 HD2 TYR A1060 -11.627 -13.712 -27.180 0.00 0.00 0.063 H -ATOM 1748 HE1 TYR A1060 -8.225 -17.337 -26.937 0.00 0.00 0.066 H -ATOM 1749 HE2 TYR A1060 -9.762 -13.767 -28.812 0.00 0.00 0.066 H -ATOM 1750 HH TYR A1060 -7.162 -16.247 -28.625 0.00 0.00 0.293 HD -ATOM 1751 N PHE A1061 -12.896 -13.461 -22.652 0.00 0.00 -0.342 N -ATOM 1752 CA PHE A1061 -13.894 -12.720 -21.888 0.00 0.00 0.112 C -ATOM 1753 C PHE A1061 -14.362 -11.502 -22.700 0.00 0.00 0.243 C -ATOM 1754 O PHE A1061 -13.631 -11.036 -23.577 0.00 0.00 -0.273 OA -ATOM 1755 CB PHE A1061 -13.270 -12.277 -20.547 0.00 0.00 0.002 C -ATOM 1756 CG PHE A1061 -12.936 -13.403 -19.586 0.00 0.00 -0.045 A -ATOM 1757 CD1 PHE A1061 -11.689 -14.058 -19.662 0.00 0.00 -0.059 A -ATOM 1758 CD2 PHE A1061 -13.932 -13.926 -18.735 0.00 0.00 -0.059 A -ATOM 1759 CE1 PHE A1061 -11.447 -15.178 -18.880 0.00 0.00 -0.062 A -ATOM 1760 CE2 PHE A1061 -13.659 -15.041 -17.954 0.00 0.00 -0.062 A -ATOM 1761 CZ PHE A1061 -12.423 -15.665 -18.025 0.00 0.00 -0.062 A -ATOM 1762 H PHE A1061 -12.169 -12.892 -23.069 0.00 0.00 0.164 HD -ATOM 1763 HA PHE A1061 -14.764 -13.351 -21.700 0.00 0.00 0.064 H -ATOM 1764 HB3 PHE A1061 -13.957 -11.610 -20.034 0.00 0.00 0.034 H -ATOM 1765 HB2 PHE A1061 -12.365 -11.695 -20.731 0.00 0.00 0.034 H -ATOM 1766 HD1 PHE A1061 -10.929 -13.709 -20.346 0.00 0.00 0.063 H -ATOM 1767 HD2 PHE A1061 -14.908 -13.465 -18.691 0.00 0.00 0.063 H -ATOM 1768 HE1 PHE A1061 -10.508 -15.697 -18.954 0.00 0.00 0.062 H -ATOM 1769 HE2 PHE A1061 -14.417 -15.444 -17.305 0.00 0.00 0.062 H -ATOM 1770 HZ PHE A1061 -12.227 -16.544 -17.428 0.00 0.00 0.062 H -ATOM 1771 N ALA A1062 -15.567 -11.002 -22.386 0.00 0.00 -0.343 N -ATOM 1772 CA ALA A1062 -16.176 -9.850 -23.051 0.00 0.00 0.105 C -ATOM 1773 C ALA A1062 -16.770 -8.872 -22.036 0.00 0.00 0.242 C -ATOM 1774 O ALA A1062 -17.301 -9.297 -21.011 0.00 0.00 -0.273 OA -ATOM 1775 CB ALA A1062 -17.301 -10.339 -23.972 0.00 0.00 -0.036 C -ATOM 1776 H ALA A1062 -16.114 -11.430 -21.650 0.00 0.00 0.164 HD -ATOM 1777 HA ALA A1062 -15.440 -9.311 -23.650 0.00 0.00 0.063 H -ATOM 1778 HB1 ALA A1062 -17.802 -9.502 -24.455 0.00 0.00 0.026 H -ATOM 1779 HB2 ALA A1062 -16.932 -10.979 -24.765 0.00 0.00 0.026 H -ATOM 1780 HB3 ALA A1062 -18.053 -10.899 -23.418 0.00 0.00 0.026 H -ATOM 1781 N GLU A1063 -16.751 -7.579 -22.398 0.00 0.00 -0.343 N -ATOM 1782 CA GLU A1063 -17.578 -6.552 -21.765 0.00 0.00 0.108 C -ATOM 1783 C GLU A1063 -19.045 -6.651 -22.215 0.00 0.00 0.243 C -ATOM 1784 O GLU A1063 -19.929 -6.419 -21.392 0.00 0.00 -0.273 OA -ATOM 1785 CB GLU A1063 -17.011 -5.150 -22.054 0.00 0.00 -0.018 C -ATOM 1786 CG GLU A1063 -15.706 -4.876 -21.292 0.00 0.00 -0.011 C -ATOM 1787 CD GLU A1063 -15.056 -3.521 -21.588 0.00 0.00 0.041 C -ATOM 1788 OE1 GLU A1063 -15.632 -2.725 -22.358 0.00 0.00 -0.550 OA -ATOM 1789 OE2 GLU A1063 -13.961 -3.289 -21.030 0.00 0.00 -0.550 O -ATOM 1790 H GLU A1063 -16.270 -7.303 -23.243 0.00 0.00 0.164 HD -ATOM 1791 HA GLU A1063 -17.553 -6.718 -20.688 0.00 0.00 0.063 H -ATOM 1792 HB3 GLU A1063 -17.746 -4.384 -21.802 0.00 0.00 0.030 H -ATOM 1793 HB2 GLU A1063 -16.824 -5.067 -23.124 0.00 0.00 0.030 H -ATOM 1794 HG3 GLU A1063 -14.999 -5.662 -21.538 0.00 0.00 0.033 H -ATOM 1795 HG2 GLU A1063 -15.885 -4.938 -20.218 0.00 0.00 0.033 H -ATOM 1796 N ASN A1064 -19.268 -7.027 -23.488 0.00 0.00 -0.342 N -ATOM 1797 CA ASN A1064 -20.584 -7.345 -24.038 0.00 0.00 0.116 C -ATOM 1798 C ASN A1064 -21.018 -8.746 -23.597 0.00 0.00 0.243 C -ATOM 1799 O ASN A1064 -20.386 -9.731 -23.979 0.00 0.00 -0.273 OA -ATOM 1800 CB ASN A1064 -20.572 -7.251 -25.582 0.00 0.00 0.056 C -ATOM 1801 CG ASN A1064 -20.405 -5.834 -26.129 0.00 0.00 0.220 C -ATOM 1802 ND2 ASN A1064 -21.352 -4.942 -25.832 0.00 0.00 -0.370 N -ATOM 1803 OD1 ASN A1064 -19.449 -5.557 -26.849 0.00 0.00 -0.275 OA -ATOM 1804 H ASN A1064 -18.480 -7.187 -24.103 0.00 0.00 0.164 HD -ATOM 1805 HA ASN A1064 -21.277 -6.605 -23.653 0.00 0.00 0.064 H -ATOM 1806 HB3 ASN A1064 -21.509 -7.638 -25.985 0.00 0.00 0.039 H -ATOM 1807 HB2 ASN A1064 -19.781 -7.878 -25.990 0.00 0.00 0.039 H -ATOM 1808 HD22 ASN A1064 -21.281 -3.992 -26.168 0.00 0.00 0.159 HD -ATOM 1809 HD21 ASN A1064 -22.144 -5.207 -25.259 0.00 0.00 0.159 HD -ATOM 1810 N SER A1065 -22.142 -8.810 -22.871 0.00 0.00 -0.340 N -ATOM 1811 CA SER A1065 -22.863 -10.048 -22.565 0.00 0.00 0.131 C -ATOM 1812 C SER A1065 -23.342 -10.786 -23.832 0.00 0.00 0.245 C -ATOM 1813 O SER A1065 -23.306 -12.013 -23.871 0.00 0.00 -0.273 OA -ATOM 1814 CB SER A1065 -24.038 -9.700 -21.637 0.00 0.00 0.072 C -ATOM 1815 OG SER A1065 -25.017 -8.943 -22.323 0.00 0.00 -0.394 OA -ATOM 1816 H SER A1065 -22.594 -7.955 -22.569 0.00 0.00 0.164 HD -ATOM 1817 HA SER A1065 -22.179 -10.707 -22.029 0.00 0.00 0.066 H -ATOM 1818 HB3 SER A1065 -23.699 -9.148 -20.760 0.00 0.00 0.059 H -ATOM 1819 HB2 SER A1065 -24.501 -10.617 -21.275 0.00 0.00 0.059 H -ATOM 1820 HG SER A1065 -25.565 -8.488 -21.673 0.00 0.00 0.210 HD -ATOM 1821 N SER A1066 -23.751 -10.005 -24.845 0.00 0.00 -0.340 N -ATOM 1822 CA SER A1066 -24.178 -10.465 -26.161 0.00 0.00 0.131 C -ATOM 1823 C SER A1066 -23.039 -11.042 -27.022 0.00 0.00 0.245 C -ATOM 1824 O SER A1066 -23.330 -11.870 -27.881 0.00 0.00 -0.273 OA -ATOM 1825 CB SER A1066 -24.952 -9.333 -26.860 0.00 0.00 0.072 C -ATOM 1826 OG SER A1066 -24.144 -8.190 -27.059 0.00 0.00 -0.394 OA -ATOM 1827 H SER A1066 -23.760 -9.006 -24.699 0.00 0.00 0.164 HD -ATOM 1828 HA SER A1066 -24.891 -11.273 -25.999 0.00 0.00 0.066 H -ATOM 1829 HB3 SER A1066 -25.831 -9.062 -26.276 0.00 0.00 0.059 H -ATOM 1830 HB2 SER A1066 -25.320 -9.666 -27.832 0.00 0.00 0.059 H -ATOM 1831 HG SER A1066 -24.005 -7.754 -26.215 0.00 0.00 0.210 HD -ATOM 1832 N LYS A1067 -21.774 -10.653 -26.771 0.00 0.00 -0.342 N -ATOM 1833 CA LYS A1067 -20.611 -11.283 -27.405 0.00 0.00 0.108 C -ATOM 1834 C LYS A1067 -20.335 -12.676 -26.815 0.00 0.00 0.243 C -ATOM 1835 O LYS A1067 -20.074 -13.600 -27.581 0.00 0.00 -0.273 OA -ATOM 1836 CB LYS A1067 -19.380 -10.348 -27.347 0.00 0.00 -0.023 C -ATOM 1837 CG LYS A1067 -18.074 -10.908 -27.954 0.00 0.00 -0.045 C -ATOM 1838 CD LYS A1067 -18.180 -11.258 -29.448 0.00 0.00 -0.004 C -ATOM 1839 CE LYS A1067 -16.920 -11.934 -30.006 0.00 0.00 0.074 C -ATOM 1840 NZ LYS A1067 -17.115 -12.345 -31.405 0.00 0.00 -0.358 N -ATOM 1841 H LYS A1067 -21.584 -9.979 -26.043 0.00 0.00 0.164 HD -ATOM 1842 HA LYS A1067 -20.861 -11.433 -28.455 0.00 0.00 0.063 H -ATOM 1843 HB3 LYS A1067 -19.179 -10.094 -26.308 0.00 0.00 0.029 H -ATOM 1844 HB2 LYS A1067 -19.624 -9.409 -27.847 0.00 0.00 0.029 H -ATOM 1845 HG3 LYS A1067 -17.758 -11.788 -27.394 0.00 0.00 0.027 H -ATOM 1846 HG2 LYS A1067 -17.279 -10.175 -27.814 0.00 0.00 0.027 H -ATOM 1847 HD3 LYS A1067 -18.390 -10.351 -30.016 0.00 0.00 0.032 H -ATOM 1848 HD2 LYS A1067 -19.027 -11.920 -29.609 0.00 0.00 0.032 H -ATOM 1849 HE3 LYS A1067 -16.669 -12.814 -29.417 0.00 0.00 0.092 H -ATOM 1850 HE2 LYS A1067 -16.062 -11.269 -29.952 0.00 0.00 0.092 H -ATOM 1851 HZ1 LYS A1067 -17.921 -12.952 -31.466 0.00 0.00 0.344 HD -ATOM 1852 HZ2 LYS A1067 -17.262 -11.526 -31.977 0.00 0.00 0.344 HD -ATOM 1853 HZ3 LYS A1067 -16.295 -12.842 -31.726 0.00 0.00 0.344 HD -ATOM 1854 N SER A1068 -20.444 -12.807 -25.482 0.00 0.00 -0.340 N -ATOM 1855 CA SER A1068 -20.319 -14.074 -24.758 0.00 0.00 0.131 C -ATOM 1856 C SER A1068 -21.454 -15.073 -25.060 0.00 0.00 0.245 C -ATOM 1857 O SER A1068 -21.191 -16.274 -25.097 0.00 0.00 -0.273 OA -ATOM 1858 CB SER A1068 -20.221 -13.785 -23.250 0.00 0.00 0.072 C -ATOM 1859 OG SER A1068 -18.913 -13.366 -22.928 0.00 0.00 -0.394 OA -ATOM 1860 H SER A1068 -20.645 -11.994 -24.917 0.00 0.00 0.164 HD -ATOM 1861 HA SER A1068 -19.393 -14.557 -25.080 0.00 0.00 0.066 H -ATOM 1862 HB3 SER A1068 -20.428 -14.678 -22.664 0.00 0.00 0.059 H -ATOM 1863 HB2 SER A1068 -20.939 -13.026 -22.936 0.00 0.00 0.059 H -ATOM 1864 HG SER A1068 -18.312 -14.107 -23.053 0.00 0.00 0.210 HD -ATOM 1865 N ASN A1069 -22.676 -14.561 -25.304 0.00 0.00 -0.342 N -ATOM 1866 CA ASN A1069 -23.884 -15.318 -25.662 0.00 0.00 0.116 C -ATOM 1867 C ASN A1069 -23.726 -16.152 -26.956 0.00 0.00 0.243 C -ATOM 1868 O ASN A1069 -24.366 -17.199 -27.065 0.00 0.00 -0.273 OA -ATOM 1869 CB ASN A1069 -25.068 -14.321 -25.711 0.00 0.00 0.056 C -ATOM 1870 CG ASN A1069 -26.393 -14.903 -26.217 0.00 0.00 0.220 C -ATOM 1871 ND2 ASN A1069 -26.785 -14.527 -27.431 0.00 0.00 -0.370 N -ATOM 1872 OD1 ASN A1069 -27.049 -15.687 -25.536 0.00 0.00 -0.275 OA -ATOM 1873 H ASN A1069 -22.801 -13.561 -25.225 0.00 0.00 0.164 HD -ATOM 1874 HA ASN A1069 -24.057 -15.987 -24.819 0.00 0.00 0.064 H -ATOM 1875 HB3 ASN A1069 -24.800 -13.490 -26.361 0.00 0.00 0.039 H -ATOM 1876 HB2 ASN A1069 -25.237 -13.894 -24.721 0.00 0.00 0.039 H -ATOM 1877 HD22 ASN A1069 -27.647 -14.879 -27.826 0.00 0.00 0.159 HD -ATOM 1878 HD21 ASN A1069 -26.230 -13.882 -27.981 0.00 0.00 0.159 HD -ATOM 1879 N GLN A1070 -22.853 -15.710 -27.880 0.00 0.00 -0.342 N -ATOM 1880 CA GLN A1070 -22.489 -16.433 -29.103 0.00 0.00 0.108 C -ATOM 1881 C GLN A1070 -21.785 -17.784 -28.857 0.00 0.00 0.243 C -ATOM 1882 O GLN A1070 -21.778 -18.608 -29.770 0.00 0.00 -0.273 OA -ATOM 1883 CB GLN A1070 -21.577 -15.552 -29.982 0.00 0.00 -0.015 C -ATOM 1884 CG GLN A1070 -22.200 -14.232 -30.468 0.00 0.00 0.029 C -ATOM 1885 CD GLN A1070 -21.311 -13.537 -31.506 0.00 0.00 0.217 C -ATOM 1886 NE2 GLN A1070 -21.918 -13.002 -32.565 0.00 0.00 -0.370 N -ATOM 1887 OE1 GLN A1070 -20.091 -13.480 -31.361 0.00 0.00 -0.275 OA -ATOM 1888 H GLN A1070 -22.357 -14.845 -27.716 0.00 0.00 0.164 HD -ATOM 1889 HA GLN A1070 -23.408 -16.641 -29.654 0.00 0.00 0.063 H -ATOM 1890 HB3 GLN A1070 -21.287 -16.124 -30.862 0.00 0.00 0.030 H -ATOM 1891 HB2 GLN A1070 -20.650 -15.340 -29.450 0.00 0.00 0.030 H -ATOM 1892 HG3 GLN A1070 -22.349 -13.553 -29.631 0.00 0.00 0.037 H -ATOM 1893 HG2 GLN A1070 -23.183 -14.424 -30.899 0.00 0.00 0.037 H -ATOM 1894 HE22 GLN A1070 -21.385 -12.528 -33.282 0.00 0.00 0.159 HD -ATOM 1895 HE21 GLN A1070 -22.922 -13.080 -32.672 0.00 0.00 0.159 HD -ATOM 1896 N TYR A1071 -21.185 -17.976 -27.668 0.00 0.00 -0.342 N -ATOM 1897 CA TYR A1071 -20.328 -19.118 -27.331 0.00 0.00 0.112 C -ATOM 1898 C TYR A1071 -20.964 -20.097 -26.332 0.00 0.00 0.243 C -ATOM 1899 O TYR A1071 -20.307 -21.077 -25.988 0.00 0.00 -0.273 OA -ATOM 1900 CB TYR A1071 -18.970 -18.600 -26.816 0.00 0.00 0.002 C -ATOM 1901 CG TYR A1071 -18.216 -17.779 -27.844 0.00 0.00 -0.045 A -ATOM 1902 CD1 TYR A1071 -17.362 -18.403 -28.777 0.00 0.00 -0.055 A -ATOM 1903 CD2 TYR A1071 -18.391 -16.383 -27.881 0.00 0.00 -0.055 A -ATOM 1904 CE1 TYR A1071 -16.693 -17.630 -29.749 0.00 0.00 -0.020 A -ATOM 1905 CE2 TYR A1071 -17.748 -15.615 -28.867 0.00 0.00 -0.020 A -ATOM 1906 CZ TYR A1071 -16.902 -16.237 -29.805 0.00 0.00 0.115 A -ATOM 1907 OH TYR A1071 -16.308 -15.487 -30.777 0.00 0.00 -0.508 OA -ATOM 1908 H TYR A1071 -21.243 -17.251 -26.965 0.00 0.00 0.164 HD -ATOM 1909 HA TYR A1071 -20.122 -19.695 -28.229 0.00 0.00 0.064 H -ATOM 1910 HB3 TYR A1071 -18.328 -19.432 -26.521 0.00 0.00 0.034 H -ATOM 1911 HB2 TYR A1071 -19.111 -18.000 -25.916 0.00 0.00 0.034 H -ATOM 1912 HD1 TYR A1071 -17.220 -19.473 -28.751 0.00 0.00 0.063 H -ATOM 1913 HD2 TYR A1071 -19.041 -15.905 -27.164 0.00 0.00 0.063 H -ATOM 1914 HE1 TYR A1071 -16.041 -18.115 -30.461 0.00 0.00 0.066 H -ATOM 1915 HE2 TYR A1071 -17.919 -14.552 -28.902 0.00 0.00 0.066 H -ATOM 1916 HH TYR A1071 -15.868 -16.024 -31.446 0.00 0.00 0.293 HD -ATOM 1917 N VAL A1072 -22.216 -19.856 -25.902 0.00 0.00 -0.342 N -ATOM 1918 CA AVAL A1072 -22.979 -20.718 -24.987 0.00 0.00 0.110 C -ATOM 1919 C VAL A1072 -23.168 -22.159 -25.511 0.00 0.00 0.243 C -ATOM 1920 O VAL A1072 -23.005 -23.106 -24.742 0.00 0.00 -0.273 OA -ATOM 1921 CB AVAL A1072 -24.369 -20.090 -24.665 0.00 0.00 -0.018 C -ATOM 1922 CG1AVAL A1072 -25.384 -21.015 -23.958 0.00 0.00 -0.060 C -ATOM 1923 CG2AVAL A1072 -24.187 -18.811 -23.834 0.00 0.00 -0.060 C -ATOM 1924 H VAL A1072 -22.700 -19.037 -26.240 0.00 0.00 0.164 HD -ATOM 1925 HA AVAL A1072 -22.408 -20.786 -24.058 0.00 0.00 0.063 H -ATOM 1926 HB AVAL A1072 -24.829 -19.788 -25.607 0.00 0.00 0.032 H -ATOM 1927 HG11AVAL A1072 -26.283 -20.468 -23.676 0.00 0.00 0.023 H -ATOM 1928 HG12AVAL A1072 -25.711 -21.836 -24.595 0.00 0.00 0.023 H -ATOM 1929 HG13AVAL A1072 -24.958 -21.438 -23.048 0.00 0.00 0.023 H -ATOM 1930 HG21AVAL A1072 -25.137 -18.307 -23.663 0.00 0.00 0.023 H -ATOM 1931 HG22AVAL A1072 -23.751 -19.043 -22.864 0.00 0.00 0.023 H -ATOM 1932 HG23AVAL A1072 -23.520 -18.105 -24.326 0.00 0.00 0.023 H -ATOM 1933 N TYR A1073 -23.454 -22.289 -26.816 0.00 0.00 -0.342 N -ATOM 1934 CA TYR A1073 -23.626 -23.562 -27.515 0.00 0.00 0.112 C -ATOM 1935 C TYR A1073 -22.401 -23.923 -28.382 0.00 0.00 0.243 C -ATOM 1936 O TYR A1073 -22.543 -24.711 -29.316 0.00 0.00 -0.273 OA -ATOM 1937 CB TYR A1073 -24.943 -23.509 -28.322 0.00 0.00 0.002 C -ATOM 1938 CG TYR A1073 -26.210 -23.327 -27.500 0.00 0.00 -0.045 A -ATOM 1939 CD1 TYR A1073 -26.486 -24.182 -26.411 0.00 0.00 -0.055 A -ATOM 1940 CD2 TYR A1073 -27.134 -22.316 -27.835 0.00 0.00 -0.055 A -ATOM 1941 CE1 TYR A1073 -27.666 -24.019 -25.661 0.00 0.00 -0.020 A -ATOM 1942 CE2 TYR A1073 -28.319 -22.155 -27.091 0.00 0.00 -0.020 A -ATOM 1943 CZ TYR A1073 -28.588 -23.012 -26.006 0.00 0.00 0.115 A -ATOM 1944 OH TYR A1073 -29.747 -22.884 -25.299 0.00 0.00 -0.508 OA -ATOM 1945 H TYR A1073 -23.578 -21.457 -27.379 0.00 0.00 0.164 HD -ATOM 1946 HA TYR A1073 -23.707 -24.376 -26.795 0.00 0.00 0.064 H -ATOM 1947 HB3 TYR A1073 -25.070 -24.427 -28.893 0.00 0.00 0.034 H -ATOM 1948 HB2 TYR A1073 -24.882 -22.702 -29.052 0.00 0.00 0.034 H -ATOM 1949 HD1 TYR A1073 -25.800 -24.973 -26.146 0.00 0.00 0.063 H -ATOM 1950 HD2 TYR A1073 -26.943 -21.667 -28.675 0.00 0.00 0.063 H -ATOM 1951 HE1 TYR A1073 -27.867 -24.681 -24.832 0.00 0.00 0.066 H -ATOM 1952 HE2 TYR A1073 -29.025 -21.384 -27.363 0.00 0.00 0.066 H -ATOM 1953 HH TYR A1073 -29.853 -23.578 -24.637 0.00 0.00 0.293 HD -ATOM 1954 N GLY A1074 -21.218 -23.382 -28.042 0.00 0.00 -0.345 N -ATOM 1955 CA GLY A1074 -19.955 -23.645 -28.732 0.00 0.00 0.097 C -ATOM 1956 C GLY A1074 -19.613 -22.508 -29.703 0.00 0.00 0.240 C -ATOM 1957 O GLY A1074 -20.375 -21.556 -29.870 0.00 0.00 -0.273 OA -ATOM 1958 H GLY A1074 -21.182 -22.740 -27.262 0.00 0.00 0.164 HD -ATOM 1959 HA3 GLY A1074 -19.979 -24.593 -29.272 0.00 0.00 0.059 H -ATOM 1960 HA2 GLY A1074 -19.160 -23.725 -27.992 0.00 0.00 0.059 H -ATOM 1961 N ILE A1075 -18.434 -22.625 -30.336 0.00 0.00 -0.343 N -ATOM 1962 CA ILE A1075 -17.868 -21.668 -31.294 0.00 0.00 0.110 C -ATOM 1963 C ILE A1075 -18.749 -21.552 -32.556 0.00 0.00 0.243 C -ATOM 1964 O ILE A1075 -19.123 -22.572 -33.138 0.00 0.00 -0.273 OA -ATOM 1965 CB ILE A1075 -16.425 -22.079 -31.723 0.00 0.00 -0.015 C -ATOM 1966 CG1 ILE A1075 -15.463 -22.153 -30.513 0.00 0.00 -0.051 C -ATOM 1967 CG2 ILE A1075 -15.802 -21.174 -32.812 0.00 0.00 -0.060 C -ATOM 1968 CD1 ILE A1075 -14.276 -23.102 -30.732 0.00 0.00 -0.065 C -ATOM 1969 H ILE A1075 -17.862 -23.439 -30.150 0.00 0.00 0.164 HD -ATOM 1970 HA ILE A1075 -17.823 -20.694 -30.802 0.00 0.00 0.064 H -ATOM 1971 HB ILE A1075 -16.492 -23.085 -32.143 0.00 0.00 0.033 H -ATOM 1972 HG13 ILE A1075 -15.984 -22.495 -29.619 0.00 0.00 0.027 H -ATOM 1973 HG12 ILE A1075 -15.101 -21.153 -30.272 0.00 0.00 0.027 H -ATOM 1974 HG21 ILE A1075 -14.784 -21.478 -33.049 0.00 0.00 0.023 H -ATOM 1975 HG22 ILE A1075 -16.353 -21.206 -33.751 0.00 0.00 0.023 H -ATOM 1976 HG23 ILE A1075 -15.765 -20.134 -32.484 0.00 0.00 0.023 H -ATOM 1977 HD11 ILE A1075 -13.648 -23.153 -29.843 0.00 0.00 0.023 H -ATOM 1978 HD12 ILE A1075 -14.616 -24.114 -30.951 0.00 0.00 0.023 H -ATOM 1979 HD13 ILE A1075 -13.645 -22.777 -31.558 0.00 0.00 0.023 H -ATOM 1980 N GLY A1076 -19.079 -20.306 -32.930 0.00 0.00 -0.345 N -ATOM 1981 CA GLY A1076 -20.014 -19.974 -34.006 0.00 0.00 0.097 C -ATOM 1982 C GLY A1076 -21.482 -20.218 -33.606 0.00 0.00 0.239 C -ATOM 1983 O GLY A1076 -22.347 -20.197 -34.480 0.00 0.00 -0.273 OA -ATOM 1984 H GLY A1076 -18.738 -19.524 -32.385 0.00 0.00 0.164 HD -ATOM 1985 HA3 GLY A1076 -19.779 -20.553 -34.900 0.00 0.00 0.059 H -ATOM 1986 HA2 GLY A1076 -19.889 -18.922 -34.263 0.00 0.00 0.059 H -ATOM 1987 N GLY A1077 -21.759 -20.482 -32.316 0.00 0.00 -0.346 N -ATOM 1988 CA GLY A1077 -23.054 -20.921 -31.799 0.00 0.00 0.097 C -ATOM 1989 C GLY A1077 -23.246 -22.439 -31.929 0.00 0.00 0.239 C -ATOM 1990 O GLY A1077 -24.299 -22.934 -31.531 0.00 0.00 -0.273 OA -ATOM 1991 H GLY A1077 -21.004 -20.471 -31.644 0.00 0.00 0.164 HD -ATOM 1992 HA3 GLY A1077 -23.866 -20.422 -32.324 0.00 0.00 0.059 H -ATOM 1993 HA2 GLY A1077 -23.133 -20.648 -30.747 0.00 0.00 0.059 H -ATOM 1994 N GLY A1078 -22.264 -23.173 -32.492 0.00 0.00 -0.346 N -ATOM 1995 CA GLY A1078 -22.331 -24.604 -32.795 0.00 0.00 0.097 C -ATOM 1996 C GLY A1078 -23.510 -24.904 -33.730 0.00 0.00 0.240 C -ATOM 1997 O GLY A1078 -23.721 -24.198 -34.716 0.00 0.00 -0.273 OA -ATOM 1998 H GLY A1078 -21.417 -22.699 -32.775 0.00 0.00 0.164 HD -ATOM 1999 HA3 GLY A1078 -22.408 -25.177 -31.871 0.00 0.00 0.059 H -ATOM 2000 HA2 GLY A1078 -21.404 -24.904 -33.283 0.00 0.00 0.059 H -ATOM 2001 N THR A1079 -24.280 -25.947 -33.392 0.00 0.00 -0.341 N -ATOM 2002 CA THR A1079 -25.541 -26.310 -34.043 0.00 0.00 0.134 C -ATOM 2003 C THR A1079 -26.763 -25.850 -33.206 0.00 0.00 0.245 C -ATOM 2004 O THR A1079 -27.849 -26.400 -33.382 0.00 0.00 -0.273 OA -ATOM 2005 CB THR A1079 -25.614 -27.843 -34.300 0.00 0.00 0.080 C -ATOM 2006 CG2 THR A1079 -24.430 -28.380 -35.118 0.00 0.00 -0.036 C -ATOM 2007 OG1 THR A1079 -25.720 -28.592 -33.104 0.00 0.00 -0.391 OA -ATOM 2008 H THR A1079 -24.050 -26.490 -32.570 0.00 0.00 0.164 HD -ATOM 2009 HA THR A1079 -25.625 -25.811 -35.010 0.00 0.00 0.066 H -ATOM 2010 HB THR A1079 -26.515 -28.053 -34.877 0.00 0.00 0.062 H -ATOM 2011 HG21 THR A1079 -24.559 -29.440 -35.338 0.00 0.00 0.026 H -ATOM 2012 HG22 THR A1079 -24.342 -27.853 -36.068 0.00 0.00 0.026 H -ATOM 2013 HG23 THR A1079 -23.485 -28.268 -34.586 0.00 0.00 0.026 H -ATOM 2014 HG1 THR A1079 -26.537 -28.349 -32.660 0.00 0.00 0.211 HD -ATOM 2015 N GLY A1080 -26.583 -24.839 -32.336 0.00 0.00 -0.345 N -ATOM 2016 CA GLY A1080 -27.650 -24.251 -31.526 0.00 0.00 0.097 C -ATOM 2017 C GLY A1080 -27.953 -25.093 -30.288 0.00 0.00 0.239 C -ATOM 2018 O GLY A1080 -27.105 -25.851 -29.817 0.00 0.00 -0.273 OA -ATOM 2019 H GLY A1080 -25.662 -24.435 -32.229 0.00 0.00 0.164 HD -ATOM 2020 HA3 GLY A1080 -28.546 -24.134 -32.133 0.00 0.00 0.059 H -ATOM 2021 HA2 GLY A1080 -27.347 -23.262 -31.188 0.00 0.00 0.059 H -ATOM 2022 N CYS A1081 -29.165 -24.913 -29.739 0.00 0.00 -0.345 N -ATOM 2023 CA CYS A1081 -29.654 -25.597 -28.540 0.00 0.00 0.086 C -ATOM 2024 C CYS A1081 -29.762 -27.133 -28.734 0.00 0.00 0.243 C -ATOM 2025 O CYS A1081 -30.040 -27.567 -29.854 0.00 0.00 -0.273 OA -ATOM 2026 CB CYS A1081 -30.997 -24.995 -28.074 0.00 0.00 -0.147 C -ATOM 2027 SG CYS A1081 -32.429 -25.226 -29.207 0.00 0.00 -0.790 SA -ATOM 2028 H CYS A1081 -29.817 -24.264 -30.160 0.00 0.00 0.164 HD -ATOM 2029 HA CYS A1081 -28.912 -25.365 -27.782 0.00 0.00 0.061 H -ATOM 2030 HB3 CYS A1081 -30.853 -23.928 -27.896 0.00 0.00 0.001 H -ATOM 2031 HB2 CYS A1081 -31.240 -25.399 -27.089 0.00 0.00 0.001 H -ATOM 2032 N PRO A1082 -29.574 -27.936 -27.659 0.00 0.00 -0.329 N -ATOM 2033 CA PRO A1082 -29.735 -29.404 -27.732 0.00 0.00 0.111 C -ATOM 2034 C PRO A1082 -31.118 -29.942 -28.151 0.00 0.00 0.243 C -ATOM 2035 O PRO A1082 -31.180 -31.084 -28.606 0.00 0.00 -0.273 OA -ATOM 2036 CB PRO A1082 -29.384 -29.891 -26.314 0.00 0.00 -0.022 C -ATOM 2037 CG PRO A1082 -28.517 -28.797 -25.726 0.00 0.00 -0.033 C -ATOM 2038 CD PRO A1082 -29.097 -27.529 -26.334 0.00 0.00 0.021 C -ATOM 2039 HA PRO A1082 -28.984 -29.777 -28.431 0.00 0.00 0.063 H -ATOM 2040 HB3 PRO A1082 -28.882 -30.860 -26.316 0.00 0.00 0.029 H -ATOM 2041 HB2 PRO A1082 -30.286 -29.991 -25.705 0.00 0.00 0.029 H -ATOM 2042 HG3 PRO A1082 -27.490 -28.925 -26.071 0.00 0.00 0.029 H -ATOM 2043 HG2 PRO A1082 -28.509 -28.791 -24.636 0.00 0.00 0.029 H -ATOM 2044 HD2 PRO A1082 -29.942 -27.162 -25.749 0.00 0.00 0.049 H -ATOM 2045 HD3 PRO A1082 -28.325 -26.763 -26.347 0.00 0.00 0.049 H -ATOM 2046 N VAL A1083 -32.188 -29.151 -27.964 0.00 0.00 -0.342 N -ATOM 2047 CA VAL A1083 -33.570 -29.609 -28.127 0.00 0.00 0.110 C -ATOM 2048 C VAL A1083 -34.121 -29.339 -29.541 0.00 0.00 0.243 C -ATOM 2049 O VAL A1083 -34.744 -30.239 -30.104 0.00 0.00 -0.273 OA -ATOM 2050 CB VAL A1083 -34.513 -28.941 -27.083 0.00 0.00 -0.018 C -ATOM 2051 CG1 VAL A1083 -36.000 -29.338 -27.212 0.00 0.00 -0.060 C -ATOM 2052 CG2 VAL A1083 -34.043 -29.225 -25.644 0.00 0.00 -0.060 C -ATOM 2053 H VAL A1083 -32.064 -28.218 -27.597 0.00 0.00 0.164 HD -ATOM 2054 HA VAL A1083 -33.615 -30.688 -27.959 0.00 0.00 0.063 H -ATOM 2055 HB VAL A1083 -34.460 -27.862 -27.229 0.00 0.00 0.032 H -ATOM 2056 HG11 VAL A1083 -36.596 -28.876 -26.425 0.00 0.00 0.023 H -ATOM 2057 HG12 VAL A1083 -36.436 -29.022 -28.158 0.00 0.00 0.023 H -ATOM 2058 HG13 VAL A1083 -36.127 -30.417 -27.132 0.00 0.00 0.023 H -ATOM 2059 HG21 VAL A1083 -34.688 -28.733 -24.915 0.00 0.00 0.023 H -ATOM 2060 HG22 VAL A1083 -34.050 -30.294 -25.430 0.00 0.00 0.023 H -ATOM 2061 HG23 VAL A1083 -33.031 -28.859 -25.475 0.00 0.00 0.023 H -ATOM 2062 N HIS A1084 -33.900 -28.125 -30.080 0.00 0.00 -0.342 N -ATOM 2063 CA HIS A1084 -34.493 -27.662 -31.344 0.00 0.00 0.113 C -ATOM 2064 C HIS A1084 -33.460 -27.430 -32.461 0.00 0.00 0.243 C -ATOM 2065 O HIS A1084 -33.878 -27.211 -33.597 0.00 0.00 -0.273 OA -ATOM 2066 CB HIS A1084 -35.314 -26.371 -31.113 0.00 0.00 0.021 C -ATOM 2067 CG HIS A1084 -36.295 -26.398 -29.965 0.00 0.00 0.061 A -ATOM 2068 CD2 HIS A1084 -37.595 -26.859 -29.950 0.00 0.00 0.024 A -ATOM 2069 ND1 HIS A1084 -35.986 -25.897 -28.699 0.00 0.00 -0.242 NA -ATOM 2070 CE1 HIS A1084 -37.083 -26.070 -27.976 0.00 0.00 0.092 A -ATOM 2071 NE2 HIS A1084 -38.072 -26.633 -28.670 0.00 0.00 -0.351 N -ATOM 2072 H HIS A1084 -33.345 -27.445 -29.577 0.00 0.00 0.164 HD -ATOM 2073 HA HIS A1084 -35.184 -28.417 -31.720 0.00 0.00 0.064 H -ATOM 2074 HB3 HIS A1084 -35.882 -26.137 -32.015 0.00 0.00 0.036 H -ATOM 2075 HB2 HIS A1084 -34.649 -25.521 -30.965 0.00 0.00 0.036 H -ATOM 2076 HD2 HIS A1084 -38.199 -27.306 -30.725 0.00 0.00 0.084 H -ATOM 2077 HE1 HIS A1084 -37.171 -25.780 -26.938 0.00 0.00 0.104 H -ATOM 2078 HE2 HIS A1084 -39.002 -26.842 -28.325 0.00 0.00 0.167 HD -ATOM 2079 N LYS A1085 -32.153 -27.469 -32.136 0.00 0.00 -0.343 N -ATOM 2080 CA LYS A1085 -31.020 -27.206 -33.039 0.00 0.00 0.108 C -ATOM 2081 C LYS A1085 -31.020 -25.761 -33.580 0.00 0.00 0.243 C -ATOM 2082 O LYS A1085 -30.721 -25.546 -34.755 0.00 0.00 -0.273 OA -ATOM 2083 CB LYS A1085 -30.932 -28.267 -34.173 0.00 0.00 -0.023 C -ATOM 2084 CG LYS A1085 -30.862 -29.726 -33.691 0.00 0.00 -0.045 C -ATOM 2085 CD LYS A1085 -29.547 -30.088 -32.978 0.00 0.00 -0.004 C -ATOM 2086 CE LYS A1085 -29.778 -30.972 -31.747 0.00 0.00 0.074 C -ATOM 2087 NZ LYS A1085 -28.508 -31.345 -31.106 0.00 0.00 -0.358 N -ATOM 2088 H LYS A1085 -31.899 -27.646 -31.175 0.00 0.00 0.164 HD -ATOM 2089 HA LYS A1085 -30.125 -27.282 -32.425 0.00 0.00 0.063 H -ATOM 2090 HB3 LYS A1085 -30.061 -28.068 -34.801 0.00 0.00 0.029 H -ATOM 2091 HB2 LYS A1085 -31.795 -28.167 -34.833 0.00 0.00 0.029 H -ATOM 2092 HG3 LYS A1085 -30.990 -30.387 -34.549 0.00 0.00 0.027 H -ATOM 2093 HG2 LYS A1085 -31.716 -29.934 -33.046 0.00 0.00 0.027 H -ATOM 2094 HD3 LYS A1085 -28.995 -29.193 -32.692 0.00 0.00 0.032 H -ATOM 2095 HD2 LYS A1085 -28.901 -30.615 -33.682 0.00 0.00 0.032 H -ATOM 2096 HE3 LYS A1085 -30.316 -31.880 -32.020 0.00 0.00 0.092 H -ATOM 2097 HE2 LYS A1085 -30.392 -30.434 -31.025 0.00 0.00 0.092 H -ATOM 2098 HZ1 LYS A1085 -28.693 -31.912 -30.286 0.00 0.00 0.344 HD -ATOM 2099 HZ2 LYS A1085 -27.940 -31.871 -31.754 0.00 0.00 0.344 HD -ATOM 2100 HZ3 LYS A1085 -28.012 -30.505 -30.830 0.00 0.00 0.344 HD -ATOM 2101 N ASP A1086 -31.381 -24.803 -32.710 0.00 0.00 -0.342 N -ATOM 2102 CA ASP A1086 -31.660 -23.421 -33.080 0.00 0.00 0.113 C -ATOM 2103 C ASP A1086 -30.776 -22.481 -32.240 0.00 0.00 0.243 C -ATOM 2104 O ASP A1086 -30.879 -22.471 -31.013 0.00 0.00 -0.273 OA -ATOM 2105 CB ASP A1086 -33.177 -23.144 -32.943 0.00 0.00 0.016 C -ATOM 2106 CG ASP A1086 -33.647 -21.745 -33.353 0.00 0.00 0.044 C -ATOM 2107 OD1 ASP A1086 -32.877 -21.028 -34.031 0.00 0.00 -0.550 OA -ATOM 2108 OD2 ASP A1086 -34.814 -21.434 -33.028 0.00 0.00 -0.550 O -ATOM 2109 H ASP A1086 -31.598 -25.055 -31.754 0.00 0.00 0.164 HD -ATOM 2110 HA ASP A1086 -31.401 -23.264 -34.128 0.00 0.00 0.064 H -ATOM 2111 HB3 ASP A1086 -33.479 -23.329 -31.914 0.00 0.00 0.036 H -ATOM 2112 HB2 ASP A1086 -33.717 -23.861 -33.562 0.00 0.00 0.036 H -ATOM 2113 N ARG A1087 -29.924 -21.705 -32.935 0.00 0.00 -0.343 N -ATOM 2114 CA ARG A1087 -29.067 -20.662 -32.360 0.00 0.00 0.108 C -ATOM 2115 C ARG A1087 -29.842 -19.390 -31.959 0.00 0.00 0.243 C -ATOM 2116 O ARG A1087 -29.302 -18.603 -31.183 0.00 0.00 -0.273 OA -ATOM 2117 CB ARG A1087 -27.926 -20.318 -33.344 0.00 0.00 -0.021 C -ATOM 2118 CG ARG A1087 -26.907 -21.453 -33.556 0.00 0.00 -0.020 C -ATOM 2119 CD ARG A1087 -25.760 -21.092 -34.514 0.00 0.00 0.064 C -ATOM 2120 NE ARG A1087 -26.211 -20.965 -35.905 0.00 0.00 -0.278 N -ATOM 2121 CZ ARG A1087 -26.321 -21.973 -36.785 0.00 0.00 0.338 C -ATOM 2122 NH1 ARG A1087 -25.952 -23.220 -36.463 0.00 0.00 -0.291 N -ATOM 2123 NH2 ARG A1087 -26.806 -21.726 -38.006 0.00 0.00 -0.291 N -ATOM 2124 H ARG A1087 -29.905 -21.777 -33.944 0.00 0.00 0.164 HD -ATOM 2125 HA ARG A1087 -28.620 -21.065 -31.450 0.00 0.00 0.063 H -ATOM 2126 HB3 ARG A1087 -27.384 -19.448 -32.971 0.00 0.00 0.029 H -ATOM 2127 HB2 ARG A1087 -28.346 -20.022 -34.305 0.00 0.00 0.029 H -ATOM 2128 HG3 ARG A1087 -27.452 -22.296 -33.983 0.00 0.00 0.030 H -ATOM 2129 HG2 ARG A1087 -26.488 -21.800 -32.615 0.00 0.00 0.030 H -ATOM 2130 HD3 ARG A1087 -24.874 -21.713 -34.388 0.00 0.00 0.066 H -ATOM 2131 HD2 ARG A1087 -25.440 -20.086 -34.253 0.00 0.00 0.066 H -ATOM 2132 HE ARG A1087 -26.523 -20.042 -36.179 0.00 0.00 0.260 HD -ATOM 2133 HH12 ARG A1087 -26.068 -23.985 -37.119 0.00 0.00 0.256 HD -ATOM 2134 HH11 ARG A1087 -25.519 -23.405 -35.568 0.00 0.00 0.256 HD -ATOM 2135 HH22 ARG A1087 -26.871 -22.463 -38.698 0.00 0.00 0.256 HD -ATOM 2136 HH21 ARG A1087 -27.095 -20.788 -38.254 0.00 0.00 0.256 HD -ATOM 2137 N SER A1088 -31.083 -19.218 -32.450 0.00 0.00 -0.340 N -ATOM 2138 CA SER A1088 -31.983 -18.122 -32.084 0.00 0.00 0.131 C -ATOM 2139 C SER A1088 -33.183 -18.626 -31.262 0.00 0.00 0.245 C -ATOM 2140 O SER A1088 -34.233 -17.984 -31.281 0.00 0.00 -0.273 OA -ATOM 2141 CB SER A1088 -32.403 -17.354 -33.356 0.00 0.00 0.072 C -ATOM 2142 OG SER A1088 -32.987 -16.103 -33.046 0.00 0.00 -0.394 OA -ATOM 2143 H SER A1088 -31.472 -19.912 -33.078 0.00 0.00 0.164 HD -ATOM 2144 HA SER A1088 -31.465 -17.427 -31.427 0.00 0.00 0.066 H -ATOM 2145 HB3 SER A1088 -33.103 -17.942 -33.951 0.00 0.00 0.059 H -ATOM 2146 HB2 SER A1088 -31.543 -17.162 -33.990 0.00 0.00 0.059 H -ATOM 2147 HG SER A1088 -33.820 -16.267 -32.592 0.00 0.00 0.210 HD -ATOM 2148 N CYS A1089 -33.018 -19.752 -30.541 0.00 0.00 -0.344 N -ATOM 2149 CA CYS A1089 -34.044 -20.318 -29.665 0.00 0.00 0.086 C -ATOM 2150 C CYS A1089 -34.372 -19.359 -28.508 0.00 0.00 0.241 C -ATOM 2151 O CYS A1089 -33.461 -18.891 -27.825 0.00 0.00 -0.273 OA -ATOM 2152 CB CYS A1089 -33.658 -21.712 -29.131 0.00 0.00 -0.147 C -ATOM 2153 SG CYS A1089 -34.976 -22.582 -28.187 0.00 0.00 -0.790 SA -ATOM 2154 H CYS A1089 -32.144 -20.256 -30.587 0.00 0.00 0.164 HD -ATOM 2155 HA CYS A1089 -34.938 -20.443 -30.280 0.00 0.00 0.061 H -ATOM 2156 HB3 CYS A1089 -32.748 -21.639 -28.535 0.00 0.00 0.001 H -ATOM 2157 HB2 CYS A1089 -33.371 -22.335 -29.975 0.00 0.00 0.001 H -ATOM 2158 N TYR A1090 -35.675 -19.118 -28.325 0.00 0.00 -0.342 N -ATOM 2159 CA TYR A1090 -36.247 -18.275 -27.279 0.00 0.00 0.112 C -ATOM 2160 C TYR A1090 -36.848 -19.115 -26.133 0.00 0.00 0.243 C -ATOM 2161 O TYR A1090 -37.205 -18.543 -25.104 0.00 0.00 -0.273 OA -ATOM 2162 CB TYR A1090 -37.324 -17.377 -27.929 0.00 0.00 0.002 C -ATOM 2163 CG TYR A1090 -36.828 -16.530 -29.092 0.00 0.00 -0.045 A -ATOM 2164 CD1 TYR A1090 -35.925 -15.478 -28.856 0.00 0.00 -0.055 A -ATOM 2165 CD2 TYR A1090 -37.247 -16.793 -30.412 0.00 0.00 -0.055 A -ATOM 2166 CE1 TYR A1090 -35.437 -14.698 -29.917 0.00 0.00 -0.020 A -ATOM 2167 CE2 TYR A1090 -36.779 -15.998 -31.478 0.00 0.00 -0.020 A -ATOM 2168 CZ TYR A1090 -35.874 -14.947 -31.231 0.00 0.00 0.115 A -ATOM 2169 OH TYR A1090 -35.424 -14.167 -32.255 0.00 0.00 -0.508 OA -ATOM 2170 H TYR A1090 -36.344 -19.552 -28.949 0.00 0.00 0.164 HD -ATOM 2171 HA TYR A1090 -35.479 -17.634 -26.844 0.00 0.00 0.064 H -ATOM 2172 HB3 TYR A1090 -37.746 -16.704 -27.184 0.00 0.00 0.034 H -ATOM 2173 HB2 TYR A1090 -38.155 -17.992 -28.276 0.00 0.00 0.034 H -ATOM 2174 HD1 TYR A1090 -35.602 -15.262 -27.856 0.00 0.00 0.063 H -ATOM 2175 HD2 TYR A1090 -37.922 -17.610 -30.610 0.00 0.00 0.063 H -ATOM 2176 HE1 TYR A1090 -34.748 -13.895 -29.706 0.00 0.00 0.066 H -ATOM 2177 HE2 TYR A1090 -37.109 -16.202 -32.486 0.00 0.00 0.066 H -ATOM 2178 HH TYR A1090 -34.793 -13.501 -31.959 0.00 0.00 0.293 HD -ATOM 2179 N ILE A1091 -36.962 -20.442 -26.328 0.00 0.00 -0.342 N -ATOM 2180 CA ILE A1091 -37.598 -21.384 -25.406 0.00 0.00 0.110 C -ATOM 2181 C ILE A1091 -36.589 -21.944 -24.385 0.00 0.00 0.243 C -ATOM 2182 O ILE A1091 -36.889 -21.952 -23.192 0.00 0.00 -0.273 OA -ATOM 2183 CB ILE A1091 -38.243 -22.582 -26.176 0.00 0.00 -0.015 C -ATOM 2184 CG1 ILE A1091 -39.334 -22.109 -27.165 0.00 0.00 -0.051 C -ATOM 2185 CG2 ILE A1091 -38.805 -23.703 -25.270 0.00 0.00 -0.060 C -ATOM 2186 CD1 ILE A1091 -39.561 -23.080 -28.333 0.00 0.00 -0.065 C -ATOM 2187 H ILE A1091 -36.612 -20.839 -27.190 0.00 0.00 0.164 HD -ATOM 2188 HA ILE A1091 -38.387 -20.867 -24.856 0.00 0.00 0.064 H -ATOM 2189 HB ILE A1091 -37.456 -23.038 -26.776 0.00 0.00 0.033 H -ATOM 2190 HG13 ILE A1091 -39.076 -21.142 -27.597 0.00 0.00 0.027 H -ATOM 2191 HG12 ILE A1091 -40.272 -21.943 -26.633 0.00 0.00 0.027 H -ATOM 2192 HG21 ILE A1091 -39.285 -24.485 -25.858 0.00 0.00 0.023 H -ATOM 2193 HG22 ILE A1091 -38.028 -24.199 -24.688 0.00 0.00 0.023 H -ATOM 2194 HG23 ILE A1091 -39.548 -23.312 -24.575 0.00 0.00 0.023 H -ATOM 2195 HD11 ILE A1091 -40.238 -22.649 -29.069 0.00 0.00 0.023 H -ATOM 2196 HD12 ILE A1091 -38.626 -23.310 -28.844 0.00 0.00 0.023 H -ATOM 2197 HD13 ILE A1091 -39.996 -24.020 -27.997 0.00 0.00 0.023 H -ATOM 2198 N CYS A1092 -35.429 -22.420 -24.872 0.00 0.00 -0.344 N -ATOM 2199 CA CYS A1092 -34.415 -23.099 -24.064 0.00 0.00 0.086 C -ATOM 2200 C CYS A1092 -33.652 -22.119 -23.160 0.00 0.00 0.241 C -ATOM 2201 O CYS A1092 -33.377 -20.988 -23.564 0.00 0.00 -0.273 OA -ATOM 2202 CB CYS A1092 -33.442 -23.929 -24.929 0.00 0.00 -0.147 C -ATOM 2203 SG CYS A1092 -34.163 -25.442 -25.673 0.00 0.00 -0.790 SA -ATOM 2204 H CYS A1092 -35.248 -22.365 -25.866 0.00 0.00 0.164 HD -ATOM 2205 HA CYS A1092 -34.944 -23.796 -23.409 0.00 0.00 0.061 H -ATOM 2206 HB3 CYS A1092 -32.586 -24.233 -24.328 0.00 0.00 0.001 H -ATOM 2207 HB2 CYS A1092 -33.021 -23.300 -25.713 0.00 0.00 0.001 H -ATOM 2208 N HIS A1093 -33.314 -22.603 -21.956 0.00 0.00 -0.342 N -ATOM 2209 CA HIS A1093 -32.571 -21.859 -20.946 0.00 0.00 0.115 C -ATOM 2210 C HIS A1093 -31.072 -21.887 -21.265 0.00 0.00 0.243 C -ATOM 2211 O HIS A1093 -30.483 -22.964 -21.367 0.00 0.00 -0.273 OA -ATOM 2212 CB HIS A1093 -32.839 -22.447 -19.546 0.00 0.00 0.042 C -ATOM 2213 CG HIS A1093 -34.272 -22.391 -19.070 0.00 0.00 0.142 A -ATOM 2214 CD2 HIS A1093 -35.439 -21.970 -19.674 0.00 0.00 0.130 A -ATOM 2215 ND1 HIS A1093 -34.644 -22.803 -17.802 0.00 0.00 -0.248 N -ATOM 2216 CE1 HIS A1093 -35.964 -22.628 -17.697 0.00 0.00 0.239 A -ATOM 2217 NE2 HIS A1093 -36.514 -22.129 -18.797 0.00 0.00 -0.250 N -ATOM 2218 H HIS A1093 -33.556 -23.557 -21.716 0.00 0.00 0.164 HD -ATOM 2219 HA HIS A1093 -32.920 -20.823 -20.946 0.00 0.00 0.064 H -ATOM 2220 HB3 HIS A1093 -32.232 -21.918 -18.810 0.00 0.00 0.038 H -ATOM 2221 HB2 HIS A1093 -32.520 -23.491 -19.512 0.00 0.00 0.038 H -ATOM 2222 HD2 HIS A1093 -35.591 -21.567 -20.664 0.00 0.00 0.114 H -ATOM 2223 HD1 HIS A1093 -34.033 -23.172 -17.088 0.00 0.00 0.311 HD -ATOM 2224 HE1 HIS A1093 -36.528 -22.867 -16.808 0.00 0.00 0.160 H -ATOM 2225 N ARG A1094 -30.499 -20.687 -21.391 0.00 0.00 -0.343 N -ATOM 2226 CA ARG A1094 -29.073 -20.426 -21.552 0.00 0.00 0.108 C -ATOM 2227 C ARG A1094 -28.479 -20.019 -20.202 0.00 0.00 0.243 C -ATOM 2228 O ARG A1094 -29.215 -19.564 -19.325 0.00 0.00 -0.273 OA -ATOM 2229 CB ARG A1094 -28.903 -19.269 -22.553 0.00 0.00 -0.021 C -ATOM 2230 CG ARG A1094 -29.480 -19.587 -23.935 0.00 0.00 -0.020 C -ATOM 2231 CD ARG A1094 -29.171 -18.505 -24.969 0.00 0.00 0.064 C -ATOM 2232 NE ARG A1094 -29.920 -18.755 -26.202 0.00 0.00 -0.278 N -ATOM 2233 CZ ARG A1094 -29.621 -18.295 -27.423 0.00 0.00 0.338 C -ATOM 2234 NH1 ARG A1094 -28.550 -17.519 -27.628 0.00 0.00 -0.291 N -ATOM 2235 NH2 ARG A1094 -30.414 -18.625 -28.448 0.00 0.00 -0.291 N -ATOM 2236 H ARG A1094 -31.069 -19.860 -21.258 0.00 0.00 0.164 HD -ATOM 2237 HA ARG A1094 -28.554 -21.311 -21.924 0.00 0.00 0.063 H -ATOM 2238 HB3 ARG A1094 -27.846 -19.019 -22.653 0.00 0.00 0.029 H -ATOM 2239 HB2 ARG A1094 -29.395 -18.374 -22.167 0.00 0.00 0.029 H -ATOM 2240 HG3 ARG A1094 -30.546 -19.816 -23.910 0.00 0.00 0.030 H -ATOM 2241 HG2 ARG A1094 -28.977 -20.498 -24.260 0.00 0.00 0.030 H -ATOM 2242 HD3 ARG A1094 -28.127 -18.642 -25.254 0.00 0.00 0.066 H -ATOM 2243 HD2 ARG A1094 -29.260 -17.487 -24.590 0.00 0.00 0.066 H -ATOM 2244 HE ARG A1094 -30.746 -19.337 -26.105 0.00 0.00 0.260 HD -ATOM 2245 HH12 ARG A1094 -28.362 -17.134 -28.544 0.00 0.00 0.256 HD -ATOM 2246 HH11 ARG A1094 -27.954 -17.261 -26.852 0.00 0.00 0.256 HD -ATOM 2247 HH22 ARG A1094 -30.187 -18.329 -29.388 0.00 0.00 0.256 HD -ATOM 2248 HH21 ARG A1094 -31.254 -19.166 -28.284 0.00 0.00 0.256 HD -ATOM 2249 N GLN A1095 -27.151 -20.149 -20.078 0.00 0.00 -0.343 N -ATOM 2250 CA GLN A1095 -26.406 -19.648 -18.929 0.00 0.00 0.108 C -ATOM 2251 C GLN A1095 -25.158 -18.899 -19.405 0.00 0.00 0.243 C -ATOM 2252 O GLN A1095 -24.533 -19.307 -20.381 0.00 0.00 -0.273 OA -ATOM 2253 CB GLN A1095 -26.030 -20.785 -17.956 0.00 0.00 -0.015 C -ATOM 2254 CG GLN A1095 -27.236 -21.593 -17.435 0.00 0.00 0.029 C -ATOM 2255 CD GLN A1095 -26.852 -22.558 -16.316 0.00 0.00 0.217 C -ATOM 2256 NE2 GLN A1095 -26.042 -23.570 -16.634 0.00 0.00 -0.370 N -ATOM 2257 OE1 GLN A1095 -27.281 -22.391 -15.175 0.00 0.00 -0.275 OA -ATOM 2258 H GLN A1095 -26.598 -20.548 -20.824 0.00 0.00 0.164 HD -ATOM 2259 HA GLN A1095 -27.029 -18.936 -18.400 0.00 0.00 0.063 H -ATOM 2260 HB3 GLN A1095 -25.517 -20.336 -17.105 0.00 0.00 0.030 H -ATOM 2261 HB2 GLN A1095 -25.306 -21.456 -18.417 0.00 0.00 0.030 H -ATOM 2262 HG3 GLN A1095 -27.694 -22.162 -18.244 0.00 0.00 0.037 H -ATOM 2263 HG2 GLN A1095 -28.000 -20.912 -17.062 0.00 0.00 0.037 H -ATOM 2264 HE22 GLN A1095 -25.757 -24.230 -15.926 0.00 0.00 0.159 HD -ATOM 2265 HE21 GLN A1095 -25.707 -23.678 -17.581 0.00 0.00 0.159 HD -ATOM 2266 N LEU A1096 -24.823 -17.825 -18.678 0.00 0.00 -0.343 N -ATOM 2267 CA LEU A1096 -23.571 -17.083 -18.782 0.00 0.00 0.108 C -ATOM 2268 C LEU A1096 -22.976 -16.979 -17.380 0.00 0.00 0.243 C -ATOM 2269 O LEU A1096 -23.713 -16.897 -16.396 0.00 0.00 -0.273 OA -ATOM 2270 CB LEU A1096 -23.811 -15.649 -19.325 0.00 0.00 -0.021 C -ATOM 2271 CG LEU A1096 -23.967 -15.529 -20.854 0.00 0.00 -0.045 C -ATOM 2272 CD1 LEU A1096 -24.198 -14.064 -21.276 0.00 0.00 -0.063 C -ATOM 2273 CD2 LEU A1096 -22.783 -16.129 -21.617 0.00 0.00 -0.063 C -ATOM 2274 H LEU A1096 -25.415 -17.559 -17.900 0.00 0.00 0.164 HD -ATOM 2275 HA LEU A1096 -22.854 -17.621 -19.403 0.00 0.00 0.063 H -ATOM 2276 HB3 LEU A1096 -22.969 -15.013 -19.045 0.00 0.00 0.030 H -ATOM 2277 HB2 LEU A1096 -24.681 -15.213 -18.830 0.00 0.00 0.030 H -ATOM 2278 HG LEU A1096 -24.840 -16.101 -21.147 0.00 0.00 0.030 H -ATOM 2279 HD11 LEU A1096 -25.094 -13.967 -21.890 0.00 0.00 0.023 H -ATOM 2280 HD12 LEU A1096 -24.314 -13.404 -20.416 0.00 0.00 0.023 H -ATOM 2281 HD13 LEU A1096 -23.362 -13.670 -21.853 0.00 0.00 0.023 H -ATOM 2282 HD21 LEU A1096 -22.704 -15.720 -22.621 0.00 0.00 0.023 H -ATOM 2283 HD22 LEU A1096 -21.847 -15.930 -21.101 0.00 0.00 0.023 H -ATOM 2284 HD23 LEU A1096 -22.893 -17.207 -21.721 0.00 0.00 0.023 H -ATOM 2285 N LEU A1097 -21.643 -16.908 -17.336 0.00 0.00 -0.343 N -ATOM 2286 CA LEU A1097 -20.896 -16.530 -16.147 0.00 0.00 0.108 C -ATOM 2287 C LEU A1097 -20.588 -15.031 -16.214 0.00 0.00 0.243 C -ATOM 2288 O LEU A1097 -20.375 -14.502 -17.304 0.00 0.00 -0.273 OA -ATOM 2289 CB LEU A1097 -19.594 -17.351 -16.069 0.00 0.00 -0.021 C -ATOM 2290 CG LEU A1097 -19.809 -18.873 -15.988 0.00 0.00 -0.045 C -ATOM 2291 CD1 LEU A1097 -18.481 -19.644 -16.090 0.00 0.00 -0.063 C -ATOM 2292 CD2 LEU A1097 -20.592 -19.261 -14.726 0.00 0.00 -0.063 C -ATOM 2293 H LEU A1097 -21.106 -16.972 -18.192 0.00 0.00 0.164 HD -ATOM 2294 HA LEU A1097 -21.495 -16.720 -15.261 0.00 0.00 0.063 H -ATOM 2295 HB3 LEU A1097 -19.027 -17.036 -15.193 0.00 0.00 0.030 H -ATOM 2296 HB2 LEU A1097 -18.977 -17.124 -16.937 0.00 0.00 0.030 H -ATOM 2297 HG LEU A1097 -20.405 -19.171 -16.850 0.00 0.00 0.030 H -ATOM 2298 HD11 LEU A1097 -18.319 -20.282 -15.223 0.00 0.00 0.023 H -ATOM 2299 HD12 LEU A1097 -18.470 -20.287 -16.971 0.00 0.00 0.023 H -ATOM 2300 HD13 LEU A1097 -17.622 -18.977 -16.167 0.00 0.00 0.023 H -ATOM 2301 HD21 LEU A1097 -20.566 -20.336 -14.560 0.00 0.00 0.023 H -ATOM 2302 HD22 LEU A1097 -20.201 -18.769 -13.835 0.00 0.00 0.023 H -ATOM 2303 HD23 LEU A1097 -21.638 -18.979 -14.825 0.00 0.00 0.023 H -ATOM 2304 N PHE A1098 -20.536 -14.395 -15.039 0.00 0.00 -0.342 N -ATOM 2305 CA PHE A1098 -20.067 -13.026 -14.860 0.00 0.00 0.112 C -ATOM 2306 C PHE A1098 -18.916 -13.121 -13.853 0.00 0.00 0.243 C -ATOM 2307 O PHE A1098 -19.143 -13.313 -12.658 0.00 0.00 -0.273 OA -ATOM 2308 CB PHE A1098 -21.247 -12.132 -14.435 0.00 0.00 0.002 C -ATOM 2309 CG PHE A1098 -20.957 -10.652 -14.260 0.00 0.00 -0.045 A -ATOM 2310 CD1 PHE A1098 -20.357 -9.907 -15.299 0.00 0.00 -0.059 A -ATOM 2311 CD2 PHE A1098 -21.401 -9.981 -13.102 0.00 0.00 -0.059 A -ATOM 2312 CE1 PHE A1098 -20.194 -8.536 -15.162 0.00 0.00 -0.062 A -ATOM 2313 CE2 PHE A1098 -21.219 -8.611 -12.980 0.00 0.00 -0.062 A -ATOM 2314 CZ PHE A1098 -20.620 -7.893 -14.006 0.00 0.00 -0.062 A -ATOM 2315 H PHE A1098 -20.740 -14.906 -14.190 0.00 0.00 0.164 HD -ATOM 2316 HA PHE A1098 -19.669 -12.635 -15.799 0.00 0.00 0.064 H -ATOM 2317 HB3 PHE A1098 -21.668 -12.511 -13.508 0.00 0.00 0.034 H -ATOM 2318 HB2 PHE A1098 -22.041 -12.217 -15.177 0.00 0.00 0.034 H -ATOM 2319 HD1 PHE A1098 -20.041 -10.389 -16.213 0.00 0.00 0.063 H -ATOM 2320 HD2 PHE A1098 -21.891 -10.526 -12.310 0.00 0.00 0.063 H -ATOM 2321 HE1 PHE A1098 -19.737 -7.966 -15.958 0.00 0.00 0.062 H -ATOM 2322 HE2 PHE A1098 -21.551 -8.100 -12.088 0.00 0.00 0.062 H -ATOM 2323 HZ PHE A1098 -20.474 -6.830 -13.895 0.00 0.00 0.062 H -ATOM 2324 N CYS A1099 -17.700 -13.103 -14.411 0.00 0.00 -0.342 N -ATOM 2325 CA CYS A1099 -16.465 -13.554 -13.783 0.00 0.00 0.117 C -ATOM 2326 C CYS A1099 -15.658 -12.357 -13.282 0.00 0.00 0.244 C -ATOM 2327 O CYS A1099 -15.581 -11.348 -13.979 0.00 0.00 -0.273 OA -ATOM 2328 CB CYS A1099 -15.590 -14.318 -14.798 0.00 0.00 0.020 C -ATOM 2329 SG CYS A1099 -16.489 -15.727 -15.499 0.00 0.00 -0.177 SA -ATOM 2330 H CYS A1099 -17.617 -12.876 -15.395 0.00 0.00 0.164 HD -ATOM 2331 HA CYS A1099 -16.701 -14.213 -12.946 0.00 0.00 0.064 H -ATOM 2332 HB3 CYS A1099 -14.679 -14.689 -14.325 0.00 0.00 0.040 H -ATOM 2333 HB2 CYS A1099 -15.282 -13.670 -15.620 0.00 0.00 0.040 H -ATOM 2334 HG CYS A1099 -17.372 -14.997 -16.186 0.00 0.00 0.102 HD -ATOM 2335 N ARG A1100 -15.009 -12.530 -12.123 0.00 0.00 -0.342 N -ATOM 2336 CA ARG A1100 -14.009 -11.608 -11.599 0.00 0.00 0.108 C -ATOM 2337 C ARG A1100 -12.641 -12.006 -12.178 0.00 0.00 0.243 C -ATOM 2338 O ARG A1100 -12.153 -13.089 -11.855 0.00 0.00 -0.273 OA -ATOM 2339 CB ARG A1100 -14.056 -11.672 -10.061 0.00 0.00 -0.021 C -ATOM 2340 CG ARG A1100 -13.231 -10.570 -9.377 0.00 0.00 -0.020 C -ATOM 2341 CD ARG A1100 -13.363 -10.581 -7.849 0.00 0.00 0.064 C -ATOM 2342 NE ARG A1100 -14.707 -10.196 -7.410 0.00 0.00 -0.278 N -ATOM 2343 CZ ARG A1100 -15.175 -8.953 -7.222 0.00 0.00 0.338 C -ATOM 2344 NH1 ARG A1100 -14.384 -7.876 -7.337 0.00 0.00 -0.291 N -ATOM 2345 NH2 ARG A1100 -16.467 -8.795 -6.913 0.00 0.00 -0.291 N -ATOM 2346 H ARG A1100 -15.096 -13.410 -11.633 0.00 0.00 0.164 HD -ATOM 2347 HA ARG A1100 -14.244 -10.589 -11.909 0.00 0.00 0.063 H -ATOM 2348 HB3 ARG A1100 -13.726 -12.654 -9.717 0.00 0.00 0.029 H -ATOM 2349 HB2 ARG A1100 -15.094 -11.579 -9.739 0.00 0.00 0.029 H -ATOM 2350 HG3 ARG A1100 -13.635 -9.623 -9.737 0.00 0.00 0.030 H -ATOM 2351 HG2 ARG A1100 -12.187 -10.580 -9.674 0.00 0.00 0.030 H -ATOM 2352 HD3 ARG A1100 -12.553 -10.090 -7.312 0.00 0.00 0.066 H -ATOM 2353 HD2 ARG A1100 -13.308 -11.625 -7.555 0.00 0.00 0.066 H -ATOM 2354 HE ARG A1100 -15.364 -10.971 -7.323 0.00 0.00 0.260 HD -ATOM 2355 HH12 ARG A1100 -14.759 -6.947 -7.213 0.00 0.00 0.256 HD -ATOM 2356 HH11 ARG A1100 -13.399 -7.978 -7.563 0.00 0.00 0.256 HD -ATOM 2357 HH22 ARG A1100 -16.860 -7.877 -6.772 0.00 0.00 0.256 HD -ATOM 2358 HH21 ARG A1100 -17.079 -9.609 -6.881 0.00 0.00 0.256 HD -ATOM 2359 N VAL A1101 -12.091 -11.159 -13.062 0.00 0.00 -0.342 N -ATOM 2360 CA VAL A1101 -10.918 -11.461 -13.885 0.00 0.00 0.110 C -ATOM 2361 C VAL A1101 -9.804 -10.435 -13.615 0.00 0.00 0.243 C -ATOM 2362 O VAL A1101 -10.047 -9.233 -13.710 0.00 0.00 -0.273 OA -ATOM 2363 CB VAL A1101 -11.265 -11.394 -15.403 0.00 0.00 -0.018 C -ATOM 2364 CG1 VAL A1101 -10.072 -11.706 -16.332 0.00 0.00 -0.060 C -ATOM 2365 CG2 VAL A1101 -12.435 -12.322 -15.772 0.00 0.00 -0.060 C -ATOM 2366 H VAL A1101 -12.553 -10.280 -13.266 0.00 0.00 0.164 HD -ATOM 2367 HA VAL A1101 -10.542 -12.459 -13.660 0.00 0.00 0.063 H -ATOM 2368 HB VAL A1101 -11.592 -10.378 -15.628 0.00 0.00 0.032 H -ATOM 2369 HG11 VAL A1101 -10.369 -11.668 -17.381 0.00 0.00 0.023 H -ATOM 2370 HG12 VAL A1101 -9.253 -10.998 -16.211 0.00 0.00 0.023 H -ATOM 2371 HG13 VAL A1101 -9.677 -12.704 -16.140 0.00 0.00 0.023 H -ATOM 2372 HG21 VAL A1101 -12.642 -12.277 -16.840 0.00 0.00 0.023 H -ATOM 2373 HG22 VAL A1101 -12.221 -13.359 -15.515 0.00 0.00 0.023 H -ATOM 2374 HG23 VAL A1101 -13.352 -12.033 -15.264 0.00 0.00 0.023 H -ATOM 2375 N THR A1102 -8.596 -10.944 -13.336 0.00 0.00 -0.340 N -ATOM 2376 CA THR A1102 -7.360 -10.181 -13.164 0.00 0.00 0.134 C -ATOM 2377 C THR A1102 -6.668 -10.036 -14.534 0.00 0.00 0.245 C -ATOM 2378 O THR A1102 -6.345 -11.053 -15.153 0.00 0.00 -0.273 OA -ATOM 2379 CB THR A1102 -6.419 -10.959 -12.200 0.00 0.00 0.080 C -ATOM 2380 CG2 THR A1102 -4.937 -10.548 -12.169 0.00 0.00 -0.036 C -ATOM 2381 OG1 THR A1102 -6.914 -10.821 -10.882 0.00 0.00 -0.391 OA -ATOM 2382 H THR A1102 -8.487 -11.950 -13.329 0.00 0.00 0.164 HD -ATOM 2383 HA THR A1102 -7.575 -9.193 -12.750 0.00 0.00 0.066 H -ATOM 2384 HB THR A1102 -6.462 -12.021 -12.447 0.00 0.00 0.062 H -ATOM 2385 HG21 THR A1102 -4.396 -11.104 -11.404 0.00 0.00 0.026 H -ATOM 2386 HG22 THR A1102 -4.440 -10.760 -13.115 0.00 0.00 0.026 H -ATOM 2387 HG23 THR A1102 -4.819 -9.489 -11.950 0.00 0.00 0.026 H -ATOM 2388 HG1 THR A1102 -7.842 -11.078 -10.871 0.00 0.00 0.211 HD -ATOM 2389 N LEU A1103 -6.450 -8.784 -14.976 0.00 0.00 -0.342 N -ATOM 2390 CA LEU A1103 -5.801 -8.476 -16.257 0.00 0.00 0.108 C -ATOM 2391 C LEU A1103 -4.308 -8.144 -16.110 0.00 0.00 0.243 C -ATOM 2392 O LEU A1103 -3.570 -8.373 -17.067 0.00 0.00 -0.273 OA -ATOM 2393 CB LEU A1103 -6.499 -7.277 -16.938 0.00 0.00 -0.021 C -ATOM 2394 CG LEU A1103 -7.980 -7.480 -17.308 0.00 0.00 -0.045 C -ATOM 2395 CD1 LEU A1103 -8.530 -6.190 -17.938 0.00 0.00 -0.063 C -ATOM 2396 CD2 LEU A1103 -8.194 -8.679 -18.248 0.00 0.00 -0.063 C -ATOM 2397 H LEU A1103 -6.758 -7.993 -14.427 0.00 0.00 0.164 HD -ATOM 2398 HA LEU A1103 -5.870 -9.335 -16.926 0.00 0.00 0.063 H -ATOM 2399 HB3 LEU A1103 -5.955 -7.020 -17.848 0.00 0.00 0.030 H -ATOM 2400 HB2 LEU A1103 -6.417 -6.404 -16.293 0.00 0.00 0.030 H -ATOM 2401 HG LEU A1103 -8.550 -7.665 -16.396 0.00 0.00 0.030 H -ATOM 2402 HD11 LEU A1103 -9.531 -6.337 -18.344 0.00 0.00 0.023 H -ATOM 2403 HD12 LEU A1103 -8.581 -5.386 -17.204 0.00 0.00 0.023 H -ATOM 2404 HD13 LEU A1103 -7.892 -5.844 -18.752 0.00 0.00 0.023 H -ATOM 2405 HD21 LEU A1103 -9.141 -8.605 -18.781 0.00 0.00 0.023 H -ATOM 2406 HD22 LEU A1103 -7.400 -8.753 -18.991 0.00 0.00 0.023 H -ATOM 2407 HD23 LEU A1103 -8.211 -9.614 -17.691 0.00 0.00 0.023 H -ATOM 2408 N GLY A1104 -3.895 -7.578 -14.960 0.00 0.00 -0.345 N -ATOM 2409 CA GLY A1104 -2.557 -7.026 -14.715 0.00 0.00 0.097 C -ATOM 2410 C GLY A1104 -2.195 -5.946 -15.743 0.00 0.00 0.240 C -ATOM 2411 O GLY A1104 -3.046 -5.152 -16.147 0.00 0.00 -0.273 OA -ATOM 2412 H GLY A1104 -4.567 -7.444 -14.216 0.00 0.00 0.164 HD -ATOM 2413 HA3 GLY A1104 -1.826 -7.830 -14.748 0.00 0.00 0.059 H -ATOM 2414 HA2 GLY A1104 -2.523 -6.593 -13.715 0.00 0.00 0.059 H -ATOM 2415 N LYS A1105 -0.927 -5.938 -16.180 0.00 0.00 -0.343 N -ATOM 2416 CA LYS A1105 -0.486 -5.212 -17.369 0.00 0.00 0.108 C -ATOM 2417 C LYS A1105 -0.981 -5.955 -18.621 0.00 0.00 0.243 C -ATOM 2418 O LYS A1105 -0.570 -7.092 -18.838 0.00 0.00 -0.273 OA -ATOM 2419 CB LYS A1105 1.047 -5.053 -17.328 0.00 0.00 -0.023 C -ATOM 2420 CG LYS A1105 1.639 -4.373 -18.573 0.00 0.00 -0.045 C -ATOM 2421 CD LYS A1105 3.068 -3.859 -18.348 0.00 0.00 -0.004 C -ATOM 2422 CE LYS A1105 3.761 -3.388 -19.634 0.00 0.00 0.074 C -ATOM 2423 NZ LYS A1105 3.047 -2.275 -20.282 0.00 0.00 -0.358 N -ATOM 2424 H LYS A1105 -0.268 -6.610 -15.808 0.00 0.00 0.164 HD -ATOM 2425 HA LYS A1105 -0.920 -4.211 -17.348 0.00 0.00 0.063 H -ATOM 2426 HB3 LYS A1105 1.530 -6.023 -17.190 0.00 0.00 0.029 H -ATOM 2427 HB2 LYS A1105 1.303 -4.465 -16.450 0.00 0.00 0.029 H -ATOM 2428 HG3 LYS A1105 0.995 -3.548 -18.881 0.00 0.00 0.027 H -ATOM 2429 HG2 LYS A1105 1.645 -5.089 -19.392 0.00 0.00 0.027 H -ATOM 2430 HD3 LYS A1105 3.667 -4.642 -17.885 0.00 0.00 0.032 H -ATOM 2431 HD2 LYS A1105 3.048 -3.040 -17.629 0.00 0.00 0.032 H -ATOM 2432 HE3 LYS A1105 3.856 -4.215 -20.337 0.00 0.00 0.092 H -ATOM 2433 HE2 LYS A1105 4.771 -3.051 -19.403 0.00 0.00 0.092 H -ATOM 2434 HZ1 LYS A1105 2.962 -1.504 -19.636 0.00 0.00 0.344 HD -ATOM 2435 HZ2 LYS A1105 3.569 -1.977 -21.096 0.00 0.00 0.344 HD -ATOM 2436 HZ3 LYS A1105 2.122 -2.570 -20.573 0.00 0.00 0.344 HD -ATOM 2437 N SER A1106 -1.870 -5.318 -19.395 0.00 0.00 -0.340 N -ATOM 2438 CA SER A1106 -2.531 -5.933 -20.544 0.00 0.00 0.131 C -ATOM 2439 C SER A1106 -1.971 -5.357 -21.852 0.00 0.00 0.245 C -ATOM 2440 O SER A1106 -1.818 -4.141 -21.960 0.00 0.00 -0.273 OA -ATOM 2441 CB SER A1106 -4.045 -5.695 -20.421 0.00 0.00 0.072 C -ATOM 2442 OG SER A1106 -4.738 -6.489 -21.359 0.00 0.00 -0.394 OA -ATOM 2443 H SER A1106 -2.147 -4.369 -19.171 0.00 0.00 0.164 HD -ATOM 2444 HA SER A1106 -2.365 -7.011 -20.533 0.00 0.00 0.066 H -ATOM 2445 HB3 SER A1106 -4.300 -4.645 -20.572 0.00 0.00 0.059 H -ATOM 2446 HB2 SER A1106 -4.394 -5.966 -19.423 0.00 0.00 0.059 H -ATOM 2447 HG SER A1106 -4.784 -7.386 -21.009 0.00 0.00 0.210 HD -ATOM 2448 N PHE A1107 -1.685 -6.242 -22.819 0.00 0.00 -0.342 N -ATOM 2449 CA PHE A1107 -1.161 -5.899 -24.141 0.00 0.00 0.112 C -ATOM 2450 C PHE A1107 -2.309 -5.473 -25.074 0.00 0.00 0.243 C -ATOM 2451 O PHE A1107 -3.159 -6.301 -25.395 0.00 0.00 -0.273 OA -ATOM 2452 CB PHE A1107 -0.390 -7.122 -24.683 0.00 0.00 0.002 C -ATOM 2453 CG PHE A1107 0.293 -6.936 -26.028 0.00 0.00 -0.045 A -ATOM 2454 CD1 PHE A1107 -0.404 -7.175 -27.232 0.00 0.00 -0.059 A -ATOM 2455 CD2 PHE A1107 1.584 -6.372 -26.087 0.00 0.00 -0.059 A -ATOM 2456 CE1 PHE A1107 0.207 -6.909 -28.450 0.00 0.00 -0.062 A -ATOM 2457 CE2 PHE A1107 2.180 -6.121 -27.315 0.00 0.00 -0.062 A -ATOM 2458 CZ PHE A1107 1.495 -6.392 -28.492 0.00 0.00 -0.062 A -ATOM 2459 H PHE A1107 -1.843 -7.228 -22.650 0.00 0.00 0.164 HD -ATOM 2460 HA PHE A1107 -0.454 -5.072 -24.040 0.00 0.00 0.064 H -ATOM 2461 HB3 PHE A1107 -1.062 -7.976 -24.747 0.00 0.00 0.034 H -ATOM 2462 HB2 PHE A1107 0.375 -7.416 -23.964 0.00 0.00 0.034 H -ATOM 2463 HD1 PHE A1107 -1.411 -7.565 -27.207 0.00 0.00 0.063 H -ATOM 2464 HD2 PHE A1107 2.118 -6.143 -25.179 0.00 0.00 0.063 H -ATOM 2465 HE1 PHE A1107 -0.320 -7.101 -29.371 0.00 0.00 0.062 H -ATOM 2466 HE2 PHE A1107 3.177 -5.707 -27.354 0.00 0.00 0.062 H -ATOM 2467 HZ PHE A1107 1.963 -6.193 -29.445 0.00 0.00 0.062 H -ATOM 2468 N LEU A1108 -2.318 -4.200 -25.496 0.00 0.00 -0.343 N -ATOM 2469 CA ALEU A1108 -3.357 -3.639 -26.363 0.00 0.00 0.108 C -ATOM 2470 C LEU A1108 -3.152 -4.062 -27.827 0.00 0.00 0.243 C -ATOM 2471 O LEU A1108 -2.175 -3.648 -28.451 0.00 0.00 -0.273 OA -ATOM 2472 CB ALEU A1108 -3.391 -2.098 -26.235 0.00 0.00 -0.021 C -ATOM 2473 CG ALEU A1108 -4.182 -1.556 -25.022 0.00 0.00 -0.045 C -ATOM 2474 CD1ALEU A1108 -3.605 -2.006 -23.667 0.00 0.00 -0.063 C -ATOM 2475 CD2ALEU A1108 -4.308 -0.019 -25.103 0.00 0.00 -0.063 C -ATOM 2476 H LEU A1108 -1.589 -3.565 -25.197 0.00 0.00 0.164 HD -ATOM 2477 HA ALEU A1108 -4.327 -4.019 -26.037 0.00 0.00 0.063 H -ATOM 2478 HB3ALEU A1108 -3.875 -1.692 -27.126 0.00 0.00 0.030 H -ATOM 2479 HB2ALEU A1108 -2.379 -1.693 -26.242 0.00 0.00 0.030 H -ATOM 2480 HG ALEU A1108 -5.195 -1.956 -25.086 0.00 0.00 0.030 H -ATOM 2481 HD11ALEU A1108 -3.825 -1.297 -22.868 0.00 0.00 0.023 H -ATOM 2482 HD12ALEU A1108 -4.026 -2.966 -23.366 0.00 0.00 0.023 H -ATOM 2483 HD13ALEU A1108 -2.522 -2.120 -23.707 0.00 0.00 0.023 H -ATOM 2484 HD21ALEU A1108 -5.355 0.284 -25.130 0.00 0.00 0.023 H -ATOM 2485 HD22ALEU A1108 -3.846 0.485 -24.254 0.00 0.00 0.023 H -ATOM 2486 HD23ALEU A1108 -3.837 0.384 -26.000 0.00 0.00 0.023 H -ATOM 2487 N GLN A1109 -4.118 -4.834 -28.345 0.00 0.00 -0.343 N -ATOM 2488 CA GLN A1109 -4.290 -5.159 -29.757 0.00 0.00 0.108 C -ATOM 2489 C GLN A1109 -5.418 -4.307 -30.350 0.00 0.00 0.243 C -ATOM 2490 O GLN A1109 -6.536 -4.330 -29.837 0.00 0.00 -0.273 OA -ATOM 2491 CB GLN A1109 -4.617 -6.662 -29.918 0.00 0.00 -0.015 C -ATOM 2492 CG GLN A1109 -3.378 -7.577 -29.983 0.00 0.00 0.029 C -ATOM 2493 CD GLN A1109 -2.601 -7.558 -31.310 0.00 0.00 0.217 C -ATOM 2494 NE2 GLN A1109 -3.050 -6.806 -32.320 0.00 0.00 -0.370 N -ATOM 2495 OE1 GLN A1109 -1.585 -8.238 -31.426 0.00 0.00 -0.275 OA -ATOM 2496 H GLN A1109 -4.871 -5.146 -27.743 0.00 0.00 0.164 HD -ATOM 2497 HA GLN A1109 -3.369 -4.934 -30.297 0.00 0.00 0.063 H -ATOM 2498 HB3 GLN A1109 -5.231 -6.830 -30.805 0.00 0.00 0.030 H -ATOM 2499 HB2 GLN A1109 -5.246 -6.990 -29.090 0.00 0.00 0.030 H -ATOM 2500 HG3 GLN A1109 -3.689 -8.606 -29.808 0.00 0.00 0.037 H -ATOM 2501 HG2 GLN A1109 -2.698 -7.330 -29.170 0.00 0.00 0.037 H -ATOM 2502 HE22 GLN A1109 -2.545 -6.786 -33.194 0.00 0.00 0.159 HD -ATOM 2503 HE21 GLN A1109 -3.883 -6.246 -32.218 0.00 0.00 0.159 HD -ATOM 2504 N PHE A1110 -5.098 -3.611 -31.447 0.00 0.00 -0.342 N -ATOM 2505 CA PHE A1110 -6.025 -2.839 -32.266 0.00 0.00 0.112 C -ATOM 2506 C PHE A1110 -6.366 -3.714 -33.483 0.00 0.00 0.243 C -ATOM 2507 O PHE A1110 -5.463 -4.030 -34.257 0.00 0.00 -0.273 OA -ATOM 2508 CB PHE A1110 -5.340 -1.516 -32.698 0.00 0.00 0.002 C -ATOM 2509 CG PHE A1110 -5.007 -0.526 -31.584 0.00 0.00 -0.045 A -ATOM 2510 CD1 PHE A1110 -3.976 -0.796 -30.656 0.00 0.00 -0.059 A -ATOM 2511 CD2 PHE A1110 -5.763 0.656 -31.430 0.00 0.00 -0.059 A -ATOM 2512 CE1 PHE A1110 -3.715 0.093 -29.621 0.00 0.00 -0.062 A -ATOM 2513 CE2 PHE A1110 -5.481 1.537 -30.393 0.00 0.00 -0.062 A -ATOM 2514 CZ PHE A1110 -4.465 1.254 -29.490 0.00 0.00 -0.062 A -ATOM 2515 H PHE A1110 -4.149 -3.653 -31.801 0.00 0.00 0.164 HD -ATOM 2516 HA PHE A1110 -6.938 -2.602 -31.716 0.00 0.00 0.064 H -ATOM 2517 HB3 PHE A1110 -5.975 -1.008 -33.425 0.00 0.00 0.034 H -ATOM 2518 HB2 PHE A1110 -4.412 -1.733 -33.229 0.00 0.00 0.034 H -ATOM 2519 HD1 PHE A1110 -3.379 -1.692 -30.743 0.00 0.00 0.063 H -ATOM 2520 HD2 PHE A1110 -6.552 0.894 -32.126 0.00 0.00 0.063 H -ATOM 2521 HE1 PHE A1110 -2.924 -0.120 -28.916 0.00 0.00 0.062 H -ATOM 2522 HE2 PHE A1110 -6.058 2.444 -30.286 0.00 0.00 0.062 H -ATOM 2523 HZ PHE A1110 -4.255 1.940 -28.683 0.00 0.00 0.062 H -ATOM 2524 N SER A1111 -7.637 -4.130 -33.617 0.00 0.00 -0.340 N -ATOM 2525 CA SER A1111 -8.093 -5.019 -34.693 0.00 0.00 0.131 C -ATOM 2526 C SER A1111 -9.619 -4.924 -34.861 0.00 0.00 0.245 C -ATOM 2527 O SER A1111 -10.319 -4.533 -33.929 0.00 0.00 -0.273 OA -ATOM 2528 CB SER A1111 -7.599 -6.468 -34.442 0.00 0.00 0.072 C -ATOM 2529 OG SER A1111 -7.954 -7.346 -35.492 0.00 0.00 -0.394 OA -ATOM 2530 H SER A1111 -8.339 -3.852 -32.946 0.00 0.00 0.164 HD -ATOM 2531 HA SER A1111 -7.651 -4.660 -35.626 0.00 0.00 0.066 H -ATOM 2532 HB3 SER A1111 -8.010 -6.869 -33.518 0.00 0.00 0.059 H -ATOM 2533 HB2 SER A1111 -6.514 -6.499 -34.337 0.00 0.00 0.059 H -ATOM 2534 HG SER A1111 -7.563 -8.205 -35.314 0.00 0.00 0.210 HD -ATOM 2535 N ALA A1112 -10.100 -5.260 -36.070 0.00 0.00 -0.343 N -ATOM 2536 CA ALA A1112 -11.506 -5.196 -36.482 0.00 0.00 0.105 C -ATOM 2537 C ALA A1112 -12.448 -6.184 -35.765 0.00 0.00 0.242 C -ATOM 2538 O ALA A1112 -13.647 -5.910 -35.702 0.00 0.00 -0.273 OA -ATOM 2539 CB ALA A1112 -11.571 -5.424 -38.000 0.00 0.00 -0.036 C -ATOM 2540 H ALA A1112 -9.453 -5.586 -36.775 0.00 0.00 0.164 HD -ATOM 2541 HA ALA A1112 -11.868 -4.188 -36.271 0.00 0.00 0.063 H -ATOM 2542 HB1 ALA A1112 -12.591 -5.322 -38.373 0.00 0.00 0.026 H -ATOM 2543 HB2 ALA A1112 -10.953 -4.703 -38.533 0.00 0.00 0.026 H -ATOM 2544 HB3 ALA A1112 -11.218 -6.421 -38.268 0.00 0.00 0.026 H -ATOM 2545 N NME A1112A -11.897 -7.295 -35.248 0.00 0.00 -0.357 N -ATOM 2546 CH3 NME A1112A -12.640 -8.345 -34.561 0.00 0.00 0.006 C -ATOM 2547 H NME A1112A -10.900 -7.429 -35.341 0.00 0.00 0.163 HD -ATOM 2548 HH31 NME A1112A -13.711 -8.148 -34.498 0.00 0.00 0.045 H -ATOM 2549 HH32 NME A1112A -12.506 -9.293 -35.081 0.00 0.00 0.045 H -ATOM 2550 HH33 NME A1112A -12.258 -8.462 -33.546 0.00 0.00 0.045 H -ATOM 2551 CH3 ACE C1114 -1.649 -25.907 -21.348 0.00 0.00 0.015 C -ATOM 2552 C ACE C1114 -1.905 -24.471 -21.792 0.00 0.00 0.217 C -ATOM 2553 O ACE C1114 -1.695 -23.548 -21.008 0.00 0.00 -0.275 OA -ATOM 2554 1H ACE C1114 -2.029 -26.066 -20.339 0.00 0.00 0.033 H -ATOM 2555 2H ACE C1114 -2.134 -26.623 -22.012 0.00 0.00 0.033 H -ATOM 2556 3H ACE C1114 -0.578 -26.112 -21.343 0.00 0.00 0.033 H -ATOM 2557 N MET C1115 -2.352 -24.307 -23.051 0.00 0.00 -0.345 N -ATOM 2558 CA MET C1115 -2.631 -23.047 -23.758 0.00 0.00 0.108 C -ATOM 2559 C MET C1115 -1.356 -22.218 -24.042 0.00 0.00 0.243 C -ATOM 2560 O MET C1115 -0.267 -22.567 -23.583 0.00 0.00 -0.273 OA -ATOM 2561 CB MET C1115 -3.820 -22.299 -23.083 0.00 0.00 -0.015 C -ATOM 2562 CG MET C1115 -3.522 -21.107 -22.149 0.00 0.00 -0.005 C -ATOM 2563 SD MET C1115 -4.937 -20.660 -21.100 0.00 0.00 -0.165 SA -ATOM 2564 CE MET C1115 -4.638 -21.733 -19.672 0.00 0.00 -0.018 C -ATOM 2565 H2 MET C1115 -2.511 -25.136 -23.608 0.00 0.00 0.164 HD -ATOM 2566 HA MET C1115 -2.985 -23.378 -24.735 0.00 0.00 0.063 H -ATOM 2567 HB3 MET C1115 -4.459 -23.014 -22.563 0.00 0.00 0.030 H -ATOM 2568 HB2 MET C1115 -4.454 -21.915 -23.882 0.00 0.00 0.030 H -ATOM 2569 HG3 MET C1115 -3.264 -20.228 -22.738 0.00 0.00 0.038 H -ATOM 2570 HG2 MET C1115 -2.664 -21.295 -21.507 0.00 0.00 0.038 H -ATOM 2571 HE1 MET C1115 -5.469 -21.669 -18.969 0.00 0.00 0.034 H -ATOM 2572 HE2 MET C1115 -4.528 -22.768 -19.989 0.00 0.00 0.034 H -ATOM 2573 HE3 MET C1115 -3.727 -21.436 -19.153 0.00 0.00 0.034 H -ATOM 2574 N ALA C1116 -1.501 -21.148 -24.841 0.00 0.00 -0.343 N -ATOM 2575 CA ALA C1116 -0.412 -20.234 -25.201 0.00 0.00 0.105 C -ATOM 2576 C ALA C1116 0.065 -19.397 -24.003 0.00 0.00 0.242 C -ATOM 2577 O ALA C1116 -0.617 -19.340 -22.979 0.00 0.00 -0.273 OA -ATOM 2578 CB ALA C1116 -0.877 -19.313 -26.342 0.00 0.00 -0.036 C -ATOM 2579 H ALA C1116 -2.422 -20.887 -25.166 0.00 0.00 0.164 HD -ATOM 2580 HA ALA C1116 0.426 -20.835 -25.560 0.00 0.00 0.063 H -ATOM 2581 HB1 ALA C1116 -0.041 -18.748 -26.756 0.00 0.00 0.026 H -ATOM 2582 HB2 ALA C1116 -1.314 -19.886 -27.158 0.00 0.00 0.026 H -ATOM 2583 HB3 ALA C1116 -1.620 -18.589 -26.007 0.00 0.00 0.026 H -ATOM 2584 N HIS C1117 1.225 -18.745 -24.166 0.00 0.00 -0.342 N -ATOM 2585 CA HIS C1117 1.749 -17.784 -23.199 0.00 0.00 0.115 C -ATOM 2586 C HIS C1117 1.209 -16.375 -23.468 0.00 0.00 0.243 C -ATOM 2587 O HIS C1117 0.880 -16.035 -24.607 0.00 0.00 -0.273 OA -ATOM 2588 CB HIS C1117 3.289 -17.791 -23.238 0.00 0.00 0.042 C -ATOM 2589 CG HIS C1117 3.910 -19.046 -22.679 0.00 0.00 0.142 A -ATOM 2590 CD2 HIS C1117 4.718 -20.004 -23.253 0.00 0.00 0.130 A -ATOM 2591 ND1 HIS C1117 3.723 -19.453 -21.369 0.00 0.00 -0.248 N -ATOM 2592 CE1 HIS C1117 4.394 -20.597 -21.212 0.00 0.00 0.239 A -ATOM 2593 NE2 HIS C1117 5.024 -20.990 -22.312 0.00 0.00 -0.250 N -ATOM 2594 H HIS C1117 1.733 -18.827 -25.034 0.00 0.00 0.164 HD -ATOM 2595 HA HIS C1117 1.431 -18.070 -22.197 0.00 0.00 0.064 H -ATOM 2596 HB3 HIS C1117 3.687 -16.953 -22.663 0.00 0.00 0.038 H -ATOM 2597 HB2 HIS C1117 3.643 -17.649 -24.260 0.00 0.00 0.038 H -ATOM 2598 HD2 HIS C1117 5.097 -20.062 -24.262 0.00 0.00 0.114 H -ATOM 2599 HD1 HIS C1117 3.177 -18.978 -20.664 0.00 0.00 0.311 HD -ATOM 2600 HE1 HIS C1117 4.421 -21.149 -20.283 0.00 0.00 0.160 H -ATOM 2601 N SER C1118 1.187 -15.569 -22.398 0.00 0.00 -0.340 N -ATOM 2602 CA SER C1118 0.964 -14.126 -22.444 0.00 0.00 0.131 C -ATOM 2603 C SER C1118 2.190 -13.424 -23.081 0.00 0.00 0.248 C -ATOM 2604 O SER C1118 3.300 -13.932 -22.900 0.00 0.00 -0.272 OA -ATOM 2605 CB SER C1118 0.741 -13.666 -20.989 0.00 0.00 0.072 C -ATOM 2606 OG SER C1118 0.307 -12.327 -20.928 0.00 0.00 -0.394 OA -ATOM 2607 H SER C1118 1.474 -15.938 -21.501 0.00 0.00 0.164 HD -ATOM 2608 HA SER C1118 0.058 -13.960 -23.022 0.00 0.00 0.066 H -ATOM 2609 HB3 SER C1118 1.656 -13.766 -20.402 0.00 0.00 0.059 H -ATOM 2610 HB2 SER C1118 -0.017 -14.281 -20.503 0.00 0.00 0.059 H -ATOM 2611 HG SER C1118 0.912 -11.843 -20.358 0.00 0.00 0.210 HD -ATOM 2612 N PRO C1119 2.000 -12.284 -23.795 0.00 0.00 -0.329 N -ATOM 2613 CA PRO C1119 3.128 -11.473 -24.313 0.00 0.00 0.111 C -ATOM 2614 C PRO C1119 4.161 -11.097 -23.220 0.00 0.00 0.246 C -ATOM 2615 O PRO C1119 3.722 -10.730 -22.130 0.00 0.00 -0.272 OA -ATOM 2616 CB PRO C1119 2.431 -10.215 -24.867 0.00 0.00 -0.022 C -ATOM 2617 CG PRO C1119 1.040 -10.682 -25.245 0.00 0.00 -0.033 C -ATOM 2618 CD PRO C1119 0.711 -11.679 -24.145 0.00 0.00 0.021 C -ATOM 2619 HA PRO C1119 3.555 -12.035 -25.141 0.00 0.00 0.063 H -ATOM 2620 HB3 PRO C1119 2.963 -9.780 -25.714 0.00 0.00 0.029 H -ATOM 2621 HB2 PRO C1119 2.347 -9.439 -24.104 0.00 0.00 0.029 H -ATOM 2622 HG3 PRO C1119 1.074 -11.195 -26.207 0.00 0.00 0.029 H -ATOM 2623 HG2 PRO C1119 0.319 -9.871 -25.325 0.00 0.00 0.029 H -ATOM 2624 HD2 PRO C1119 0.308 -11.155 -23.278 0.00 0.00 0.049 H -ATOM 2625 HD3 PRO C1119 -0.032 -12.393 -24.496 0.00 0.00 0.049 H -ATOM 2626 N PRO C1120 5.485 -11.219 -23.492 0.00 0.00 -0.329 N -ATOM 2627 CA PRO C1120 6.557 -10.880 -22.527 0.00 0.00 0.111 C -ATOM 2628 C PRO C1120 6.405 -9.527 -21.804 0.00 0.00 0.243 C -ATOM 2629 O PRO C1120 6.350 -8.487 -22.462 0.00 0.00 -0.273 OA -ATOM 2630 CB PRO C1120 7.836 -10.931 -23.378 0.00 0.00 -0.022 C -ATOM 2631 CG PRO C1120 7.536 -11.984 -24.427 0.00 0.00 -0.033 C -ATOM 2632 CD PRO C1120 6.058 -11.762 -24.727 0.00 0.00 0.021 C -ATOM 2633 HA PRO C1120 6.586 -11.689 -21.795 0.00 0.00 0.063 H -ATOM 2634 HB3 PRO C1120 8.723 -11.171 -22.791 0.00 0.00 0.029 H -ATOM 2635 HB2 PRO C1120 8.017 -9.975 -23.872 0.00 0.00 0.029 H -ATOM 2636 HG3 PRO C1120 7.675 -12.974 -23.990 0.00 0.00 0.029 H -ATOM 2637 HG2 PRO C1120 8.175 -11.912 -25.308 0.00 0.00 0.029 H -ATOM 2638 HD2 PRO C1120 5.933 -11.032 -25.527 0.00 0.00 0.049 H -ATOM 2639 HD3 PRO C1120 5.603 -12.703 -25.038 0.00 0.00 0.049 H -ATOM 2640 N GLY C1121 6.308 -9.587 -20.466 0.00 0.00 -0.345 N -ATOM 2641 CA GLY C1121 6.133 -8.424 -19.596 0.00 0.00 0.097 C -ATOM 2642 C GLY C1121 4.655 -8.067 -19.359 0.00 0.00 0.240 C -ATOM 2643 O GLY C1121 4.394 -7.014 -18.779 0.00 0.00 -0.273 OA -ATOM 2644 H GLY C1121 6.365 -10.489 -20.008 0.00 0.00 0.164 HD -ATOM 2645 HA3 GLY C1121 6.654 -7.557 -20.005 0.00 0.00 0.059 H -ATOM 2646 HA2 GLY C1121 6.595 -8.642 -18.633 0.00 0.00 0.059 H -ATOM 2647 N HIS C1122 3.703 -8.906 -19.803 0.00 0.00 -0.342 N -ATOM 2648 CA HIS C1122 2.257 -8.699 -19.681 0.00 0.00 0.115 C -ATOM 2649 C HIS C1122 1.602 -9.931 -19.041 0.00 0.00 0.243 C -ATOM 2650 O HIS C1122 2.174 -11.023 -19.060 0.00 0.00 -0.273 OA -ATOM 2651 CB HIS C1122 1.635 -8.406 -21.068 0.00 0.00 0.042 C -ATOM 2652 CG HIS C1122 2.246 -7.234 -21.798 0.00 0.00 0.142 A -ATOM 2653 CD2 HIS C1122 1.817 -5.937 -21.965 0.00 0.00 0.130 A -ATOM 2654 ND1 HIS C1122 3.454 -7.311 -22.471 0.00 0.00 -0.248 N -ATOM 2655 CE1 HIS C1122 3.717 -6.097 -22.955 0.00 0.00 0.239 A -ATOM 2656 NE2 HIS C1122 2.764 -5.212 -22.689 0.00 0.00 -0.250 N -ATOM 2657 H HIS C1122 3.976 -9.755 -20.281 0.00 0.00 0.164 HD -ATOM 2658 HA HIS C1122 2.057 -7.847 -19.028 0.00 0.00 0.064 H -ATOM 2659 HB3 HIS C1122 0.569 -8.204 -20.965 0.00 0.00 0.038 H -ATOM 2660 HB2 HIS C1122 1.694 -9.282 -21.712 0.00 0.00 0.038 H -ATOM 2661 HD2 HIS C1122 0.917 -5.464 -21.602 0.00 0.00 0.114 H -ATOM 2662 HD1 HIS C1122 4.052 -8.123 -22.544 0.00 0.00 0.311 HD -ATOM 2663 HE1 HIS C1122 4.613 -5.859 -23.509 0.00 0.00 0.160 H -ATOM 2664 N HIS C1123 0.395 -9.720 -18.498 0.00 0.00 -0.342 N -ATOM 2665 CA HIS C1123 -0.424 -10.718 -17.809 0.00 0.00 0.113 C -ATOM 2666 C HIS C1123 -1.719 -11.055 -18.575 0.00 0.00 0.243 C -ATOM 2667 O HIS C1123 -2.414 -11.981 -18.162 0.00 0.00 -0.273 OA -ATOM 2668 CB HIS C1123 -0.744 -10.210 -16.388 0.00 0.00 0.021 C -ATOM 2669 CG HIS C1123 0.444 -9.775 -15.569 0.00 0.00 0.061 A -ATOM 2670 CD2 HIS C1123 1.302 -10.554 -14.825 0.00 0.00 0.024 A -ATOM 2671 ND1 HIS C1123 0.834 -8.434 -15.449 0.00 0.00 -0.242 NA -ATOM 2672 CE1 HIS C1123 1.889 -8.456 -14.644 0.00 0.00 0.092 A -ATOM 2673 NE2 HIS C1123 2.208 -9.687 -14.246 0.00 0.00 -0.351 N -ATOM 2674 H HIS C1123 0.006 -8.785 -18.528 0.00 0.00 0.164 HD -ATOM 2675 HA HIS C1123 0.131 -11.651 -17.711 0.00 0.00 0.064 H -ATOM 2676 HB3 HIS C1123 -1.280 -10.974 -15.824 0.00 0.00 0.036 H -ATOM 2677 HB2 HIS C1123 -1.410 -9.355 -16.453 0.00 0.00 0.036 H -ATOM 2678 HD2 HIS C1123 1.337 -11.619 -14.659 0.00 0.00 0.084 H -ATOM 2679 HE1 HIS C1123 2.432 -7.572 -14.344 0.00 0.00 0.104 H -ATOM 2680 HE2 HIS C1123 2.968 -9.955 -13.628 0.00 0.00 0.167 HD -ATOM 2681 N SER C1124 -2.019 -10.337 -19.671 0.00 0.00 -0.340 N -ATOM 2682 CA SER C1124 -3.171 -10.574 -20.547 0.00 0.00 0.131 C -ATOM 2683 C SER C1124 -3.000 -9.831 -21.887 0.00 0.00 0.245 C -ATOM 2684 O SER C1124 -2.012 -9.119 -22.080 0.00 0.00 -0.273 OA -ATOM 2685 CB SER C1124 -4.493 -10.211 -19.818 0.00 0.00 0.072 C -ATOM 2686 OG SER C1124 -4.637 -8.820 -19.638 0.00 0.00 -0.394 OA -ATOM 2687 H SER C1124 -1.399 -9.596 -19.965 0.00 0.00 0.164 HD -ATOM 2688 HA SER C1124 -3.187 -11.640 -20.782 0.00 0.00 0.066 H -ATOM 2689 HB3 SER C1124 -4.572 -10.701 -18.848 0.00 0.00 0.059 H -ATOM 2690 HB2 SER C1124 -5.356 -10.549 -20.389 0.00 0.00 0.059 H -ATOM 2691 HG SER C1124 -4.112 -8.566 -18.871 0.00 0.00 0.210 HD -ATOM 2692 N VAL C1125 -3.993 -10.001 -22.774 0.00 0.00 -0.342 N -ATOM 2693 CA VAL C1125 -4.185 -9.223 -23.999 0.00 0.00 0.110 C -ATOM 2694 C VAL C1125 -5.583 -8.576 -23.951 0.00 0.00 0.243 C -ATOM 2695 O VAL C1125 -6.530 -9.219 -23.502 0.00 0.00 -0.273 OA -ATOM 2696 CB VAL C1125 -4.077 -10.121 -25.273 0.00 0.00 -0.018 C -ATOM 2697 CG1 VAL C1125 -4.623 -9.500 -26.580 0.00 0.00 -0.060 C -ATOM 2698 CG2 VAL C1125 -2.625 -10.566 -25.512 0.00 0.00 -0.060 C -ATOM 2699 H VAL C1125 -4.749 -10.634 -22.547 0.00 0.00 0.164 HD -ATOM 2700 HA VAL C1125 -3.439 -8.431 -24.055 0.00 0.00 0.063 H -ATOM 2701 HB VAL C1125 -4.652 -11.030 -25.089 0.00 0.00 0.032 H -ATOM 2702 HG11 VAL C1125 -4.372 -10.115 -27.444 0.00 0.00 0.023 H -ATOM 2703 HG12 VAL C1125 -5.710 -9.410 -26.571 0.00 0.00 0.023 H -ATOM 2704 HG13 VAL C1125 -4.203 -8.511 -26.759 0.00 0.00 0.023 H -ATOM 2705 HG21 VAL C1125 -2.562 -11.288 -26.326 0.00 0.00 0.023 H -ATOM 2706 HG22 VAL C1125 -2.001 -9.718 -25.787 0.00 0.00 0.023 H -ATOM 2707 HG23 VAL C1125 -2.190 -11.031 -24.629 0.00 0.00 0.023 H -ATOM 2708 N THR C1126 -5.678 -7.331 -24.444 0.00 0.00 -0.340 N -ATOM 2709 CA THR C1126 -6.927 -6.611 -24.687 0.00 0.00 0.134 C -ATOM 2710 C THR C1126 -7.149 -6.535 -26.205 0.00 0.00 0.245 C -ATOM 2711 O THR C1126 -6.286 -6.021 -26.912 0.00 0.00 -0.273 OA -ATOM 2712 CB THR C1126 -6.853 -5.145 -24.174 0.00 0.00 0.080 C -ATOM 2713 CG2 THR C1126 -8.063 -4.252 -24.525 0.00 0.00 -0.036 C -ATOM 2714 OG1 THR C1126 -6.751 -5.152 -22.770 0.00 0.00 -0.391 OA -ATOM 2715 H THR C1126 -4.841 -6.878 -24.793 0.00 0.00 0.164 HD -ATOM 2716 HA THR C1126 -7.770 -7.116 -24.212 0.00 0.00 0.066 H -ATOM 2717 HB THR C1126 -5.947 -4.667 -24.546 0.00 0.00 0.062 H -ATOM 2718 HG21 THR C1126 -7.999 -3.287 -24.022 0.00 0.00 0.026 H -ATOM 2719 HG22 THR C1126 -8.124 -4.043 -25.593 0.00 0.00 0.026 H -ATOM 2720 HG23 THR C1126 -9.000 -4.721 -24.223 0.00 0.00 0.026 H -ATOM 2721 HG1 THR C1126 -5.980 -5.673 -22.512 0.00 0.00 0.211 HD -ATOM 2722 N GLY C1127 -8.322 -6.994 -26.661 0.00 0.00 -0.345 N -ATOM 2723 CA GLY C1127 -8.792 -6.822 -28.028 0.00 0.00 0.097 C -ATOM 2724 C GLY C1127 -9.685 -5.579 -28.041 0.00 0.00 0.240 C -ATOM 2725 O GLY C1127 -10.851 -5.655 -27.653 0.00 0.00 -0.273 OA -ATOM 2726 H GLY C1127 -8.991 -7.375 -26.001 0.00 0.00 0.164 HD -ATOM 2727 HA3 GLY C1127 -9.379 -7.693 -28.317 0.00 0.00 0.059 H -ATOM 2728 HA2 GLY C1127 -7.970 -6.734 -28.742 0.00 0.00 0.059 H -ATOM 2729 N ARG C1128 -9.131 -4.450 -28.510 0.00 0.00 -0.343 N -ATOM 2730 CA AARG C1128 -9.835 -3.186 -28.713 0.00 0.00 0.108 C -ATOM 2731 C ARG C1128 -10.399 -3.151 -30.154 0.00 0.00 0.245 C -ATOM 2732 O ARG C1128 -9.599 -3.229 -31.090 0.00 0.00 -0.272 OA -ATOM 2733 CB AARG C1128 -8.829 -2.037 -28.478 0.00 0.00 -0.021 C -ATOM 2734 CG AARG C1128 -9.418 -0.638 -28.743 0.00 0.00 -0.020 C -ATOM 2735 CD AARG C1128 -8.424 0.499 -28.480 0.00 0.00 0.064 C -ATOM 2736 NE AARG C1128 -8.871 1.744 -29.122 0.00 0.00 -0.278 N -ATOM 2737 CZ AARG C1128 -8.555 2.999 -28.762 0.00 0.00 0.338 C -ATOM 2738 NH1AARG C1128 -7.801 3.251 -27.682 0.00 0.00 -0.291 N -ATOM 2739 NH2AARG C1128 -9.002 4.020 -29.503 0.00 0.00 -0.291 N -ATOM 2740 H ARG C1128 -8.166 -4.468 -28.818 0.00 0.00 0.164 HD -ATOM 2741 HA AARG C1128 -10.605 -3.103 -27.948 0.00 0.00 0.063 H -ATOM 2742 HB3AARG C1128 -7.961 -2.172 -29.125 0.00 0.00 0.029 H -ATOM 2743 HB2AARG C1128 -8.450 -2.084 -27.456 0.00 0.00 0.029 H -ATOM 2744 HG3AARG C1128 -10.253 -0.521 -28.053 0.00 0.00 0.030 H -ATOM 2745 HG2AARG C1128 -9.858 -0.543 -29.732 0.00 0.00 0.030 H -ATOM 2746 HD3AARG C1128 -7.386 0.240 -28.687 0.00 0.00 0.066 H -ATOM 2747 HD2AARG C1128 -8.482 0.707 -27.411 0.00 0.00 0.066 H -ATOM 2748 HE AARG C1128 -9.381 1.616 -29.986 0.00 0.00 0.260 HD -ATOM 2749 HH12AARG C1128 -7.572 4.200 -27.421 0.00 0.00 0.256 HD -ATOM 2750 HH11AARG C1128 -7.474 2.489 -27.105 0.00 0.00 0.256 HD -ATOM 2751 HH22AARG C1128 -8.776 4.972 -29.254 0.00 0.00 0.256 HD -ATOM 2752 HH21AARG C1128 -9.568 3.847 -30.322 0.00 0.00 0.256 HD -ATOM 2753 N PRO C1129 -11.738 -3.022 -30.324 0.00 0.00 -0.329 N -ATOM 2754 CA PRO C1129 -12.364 -2.946 -31.659 0.00 0.00 0.111 C -ATOM 2755 C PRO C1129 -12.011 -1.645 -32.411 0.00 0.00 0.243 C -ATOM 2756 O PRO C1129 -12.175 -0.559 -31.854 0.00 0.00 -0.273 OA -ATOM 2757 CB PRO C1129 -13.865 -3.074 -31.363 0.00 0.00 -0.022 C -ATOM 2758 CG PRO C1129 -14.036 -2.533 -29.955 0.00 0.00 -0.033 C -ATOM 2759 CD PRO C1129 -12.741 -2.926 -29.260 0.00 0.00 0.021 C -ATOM 2760 HA PRO C1129 -12.058 -3.803 -32.257 0.00 0.00 0.063 H -ATOM 2761 HB3 PRO C1129 -14.144 -4.128 -31.382 0.00 0.00 0.029 H -ATOM 2762 HB2 PRO C1129 -14.498 -2.560 -32.087 0.00 0.00 0.029 H -ATOM 2763 HG3 PRO C1129 -14.915 -2.928 -29.452 0.00 0.00 0.029 H -ATOM 2764 HG2 PRO C1129 -14.122 -1.446 -29.991 0.00 0.00 0.029 H -ATOM 2765 HD2 PRO C1129 -12.492 -2.188 -28.497 0.00 0.00 0.049 H -ATOM 2766 HD3 PRO C1129 -12.845 -3.902 -28.786 0.00 0.00 0.049 H -ATOM 2767 N SER C1130 -11.496 -1.794 -33.644 0.00 0.00 -0.340 N -ATOM 2768 CA SER C1130 -11.019 -0.694 -34.492 0.00 0.00 0.131 C -ATOM 2769 C SER C1130 -11.995 -0.293 -35.614 0.00 0.00 0.245 C -ATOM 2770 O SER C1130 -11.799 0.778 -36.189 0.00 0.00 -0.273 OA -ATOM 2771 CB SER C1130 -9.616 -1.052 -35.040 0.00 0.00 0.072 C -ATOM 2772 OG SER C1130 -9.651 -1.941 -36.140 0.00 0.00 -0.394 OA -ATOM 2773 H SER C1130 -11.352 -2.728 -34.003 0.00 0.00 0.164 HD -ATOM 2774 HA SER C1130 -10.899 0.198 -33.878 0.00 0.00 0.066 H -ATOM 2775 HB3 SER C1130 -8.989 -1.484 -34.260 0.00 0.00 0.059 H -ATOM 2776 HB2 SER C1130 -9.110 -0.145 -35.372 0.00 0.00 0.059 H -ATOM 2777 HG SER C1130 -9.888 -2.815 -35.822 0.00 0.00 0.210 HD -ATOM 2778 N VAL C1131 -12.999 -1.135 -35.918 0.00 0.00 -0.342 N -ATOM 2779 CA VAL C1131 -13.940 -0.919 -37.022 0.00 0.00 0.110 C -ATOM 2780 C VAL C1131 -15.361 -0.641 -36.502 0.00 0.00 0.243 C -ATOM 2781 O VAL C1131 -15.947 0.361 -36.912 0.00 0.00 -0.273 OA -ATOM 2782 CB VAL C1131 -13.946 -2.118 -38.016 0.00 0.00 -0.018 C -ATOM 2783 CG1 VAL C1131 -15.098 -2.112 -39.045 0.00 0.00 -0.060 C -ATOM 2784 CG2 VAL C1131 -12.605 -2.189 -38.768 0.00 0.00 -0.060 C -ATOM 2785 H VAL C1131 -13.105 -1.991 -35.394 0.00 0.00 0.164 HD -ATOM 2786 HA VAL C1131 -13.647 -0.037 -37.595 0.00 0.00 0.063 H -ATOM 2787 HB VAL C1131 -14.038 -3.041 -37.441 0.00 0.00 0.032 H -ATOM 2788 HG11 VAL C1131 -14.982 -2.919 -39.768 0.00 0.00 0.023 H -ATOM 2789 HG12 VAL C1131 -16.071 -2.252 -38.574 0.00 0.00 0.023 H -ATOM 2790 HG13 VAL C1131 -15.126 -1.175 -39.601 0.00 0.00 0.023 H -ATOM 2791 HG21 VAL C1131 -12.588 -3.022 -39.471 0.00 0.00 0.023 H -ATOM 2792 HG22 VAL C1131 -12.422 -1.277 -39.338 0.00 0.00 0.023 H -ATOM 2793 HG23 VAL C1131 -11.766 -2.323 -38.086 0.00 0.00 0.023 H -ATOM 2794 N ASN C1132 -15.885 -1.504 -35.612 0.00 0.00 -0.342 N -ATOM 2795 CA ASN C1132 -17.192 -1.306 -34.982 0.00 0.00 0.116 C -ATOM 2796 C ASN C1132 -17.030 -0.369 -33.773 0.00 0.00 0.243 C -ATOM 2797 O ASN C1132 -16.434 -0.764 -32.771 0.00 0.00 -0.273 OA -ATOM 2798 CB ASN C1132 -17.808 -2.672 -34.587 0.00 0.00 0.056 C -ATOM 2799 CG ASN C1132 -19.289 -2.610 -34.176 0.00 0.00 0.220 C -ATOM 2800 ND2 ASN C1132 -19.861 -3.756 -33.806 0.00 0.00 -0.370 N -ATOM 2801 OD1 ASN C1132 -19.918 -1.554 -34.186 0.00 0.00 -0.275 OA -ATOM 2802 H ASN C1132 -15.351 -2.302 -35.303 0.00 0.00 0.164 HD -ATOM 2803 HA ASN C1132 -17.873 -0.824 -35.687 0.00 0.00 0.064 H -ATOM 2804 HB3 ASN C1132 -17.225 -3.144 -33.795 0.00 0.00 0.039 H -ATOM 2805 HB2 ASN C1132 -17.753 -3.342 -35.445 0.00 0.00 0.039 H -ATOM 2806 HD22 ASN C1132 -20.830 -3.755 -33.512 0.00 0.00 0.159 HD -ATOM 2807 HD21 ASN C1132 -19.331 -4.618 -33.789 0.00 0.00 0.159 HD -ATOM 2808 N GLY C1133 -17.581 0.848 -33.900 0.00 0.00 -0.345 N -ATOM 2809 CA GLY C1133 -17.536 1.886 -32.871 0.00 0.00 0.097 C -ATOM 2810 C GLY C1133 -18.518 1.630 -31.714 0.00 0.00 0.240 C -ATOM 2811 O GLY C1133 -18.373 2.261 -30.668 0.00 0.00 -0.273 OA -ATOM 2812 H GLY C1133 -18.030 1.098 -34.773 0.00 0.00 0.164 HD -ATOM 2813 HA3 GLY C1133 -17.788 2.838 -33.338 0.00 0.00 0.059 H -ATOM 2814 HA2 GLY C1133 -16.522 1.984 -32.478 0.00 0.00 0.059 H -ATOM 2815 N LEU C1134 -19.493 0.719 -31.888 0.00 0.00 -0.343 N -ATOM 2816 CA LEU C1134 -20.470 0.327 -30.868 0.00 0.00 0.108 C -ATOM 2817 C LEU C1134 -20.058 -0.943 -30.099 0.00 0.00 0.243 C -ATOM 2818 O LEU C1134 -20.710 -1.262 -29.104 0.00 0.00 -0.273 OA -ATOM 2819 CB LEU C1134 -21.849 0.133 -31.536 0.00 0.00 -0.021 C -ATOM 2820 CG LEU C1134 -22.472 1.427 -32.107 0.00 0.00 -0.045 C -ATOM 2821 CD1 LEU C1134 -23.769 1.112 -32.878 0.00 0.00 -0.063 C -ATOM 2822 CD2 LEU C1134 -22.688 2.507 -31.026 0.00 0.00 -0.063 C -ATOM 2823 H LEU C1134 -19.564 0.238 -32.774 0.00 0.00 0.164 HD -ATOM 2824 HA LEU C1134 -20.553 1.114 -30.117 0.00 0.00 0.063 H -ATOM 2825 HB3 LEU C1134 -22.553 -0.296 -30.820 0.00 0.00 0.030 H -ATOM 2826 HB2 LEU C1134 -21.750 -0.602 -32.334 0.00 0.00 0.030 H -ATOM 2827 HG LEU C1134 -21.773 1.834 -32.837 0.00 0.00 0.030 H -ATOM 2828 HD11 LEU C1134 -23.767 1.594 -33.856 0.00 0.00 0.023 H -ATOM 2829 HD12 LEU C1134 -23.892 0.042 -33.050 0.00 0.00 0.023 H -ATOM 2830 HD13 LEU C1134 -24.662 1.449 -32.351 0.00 0.00 0.023 H -ATOM 2831 HD21 LEU C1134 -23.630 3.041 -31.154 0.00 0.00 0.023 H -ATOM 2832 HD22 LEU C1134 -22.694 2.084 -30.022 0.00 0.00 0.023 H -ATOM 2833 HD23 LEU C1134 -21.892 3.250 -31.062 0.00 0.00 0.023 H -ATOM 2834 N ALA C1135 -18.993 -1.635 -30.541 0.00 0.00 -0.343 N -ATOM 2835 CA ALA C1135 -18.418 -2.774 -29.831 0.00 0.00 0.105 C -ATOM 2836 C ALA C1135 -17.602 -2.328 -28.611 0.00 0.00 0.242 C -ATOM 2837 O ALA C1135 -16.880 -1.333 -28.689 0.00 0.00 -0.273 OA -ATOM 2838 CB ALA C1135 -17.565 -3.606 -30.797 0.00 0.00 -0.036 C -ATOM 2839 H ALA C1135 -18.483 -1.305 -31.348 0.00 0.00 0.164 HD -ATOM 2840 HA ALA C1135 -19.230 -3.405 -29.476 0.00 0.00 0.063 H -ATOM 2841 HB1 ALA C1135 -17.062 -4.425 -30.282 0.00 0.00 0.026 H -ATOM 2842 HB2 ALA C1135 -18.186 -4.047 -31.575 0.00 0.00 0.026 H -ATOM 2843 HB3 ALA C1135 -16.801 -2.999 -31.282 0.00 0.00 0.026 H -ATOM 2844 N LEU C1136 -17.715 -3.105 -27.524 0.00 0.00 -0.343 N -ATOM 2845 CA LEU C1136 -16.914 -2.956 -26.310 0.00 0.00 0.108 C -ATOM 2846 C LEU C1136 -15.694 -3.895 -26.367 0.00 0.00 0.243 C -ATOM 2847 O LEU C1136 -15.616 -4.759 -27.245 0.00 0.00 -0.273 OA -ATOM 2848 CB LEU C1136 -17.797 -3.251 -25.077 0.00 0.00 -0.021 C -ATOM 2849 CG LEU C1136 -19.041 -2.350 -24.906 0.00 0.00 -0.045 C -ATOM 2850 CD1 LEU C1136 -19.879 -2.799 -23.689 0.00 0.00 -0.063 C -ATOM 2851 CD2 LEU C1136 -18.680 -0.852 -24.829 0.00 0.00 -0.063 C -ATOM 2852 H LEU C1136 -18.336 -3.902 -27.540 0.00 0.00 0.164 HD -ATOM 2853 HA LEU C1136 -16.534 -1.936 -26.237 0.00 0.00 0.063 H -ATOM 2854 HB3 LEU C1136 -17.192 -3.129 -24.185 0.00 0.00 0.030 H -ATOM 2855 HB2 LEU C1136 -18.095 -4.298 -25.083 0.00 0.00 0.030 H -ATOM 2856 HG LEU C1136 -19.674 -2.488 -25.783 0.00 0.00 0.030 H -ATOM 2857 HD11 LEU C1136 -20.942 -2.812 -23.929 0.00 0.00 0.023 H -ATOM 2858 HD12 LEU C1136 -19.615 -3.804 -23.359 0.00 0.00 0.023 H -ATOM 2859 HD13 LEU C1136 -19.748 -2.141 -22.830 0.00 0.00 0.023 H -ATOM 2860 HD21 LEU C1136 -19.278 -0.321 -24.088 0.00 0.00 0.023 H -ATOM 2861 HD22 LEU C1136 -17.633 -0.697 -24.566 0.00 0.00 0.023 H -ATOM 2862 HD23 LEU C1136 -18.853 -0.365 -25.790 0.00 0.00 0.023 H -ATOM 2863 N ALA C1137 -14.747 -3.695 -25.435 0.00 0.00 -0.343 N -ATOM 2864 CA ALA C1137 -13.483 -4.432 -25.384 0.00 0.00 0.105 C -ATOM 2865 C ALA C1137 -13.654 -5.906 -24.983 0.00 0.00 0.242 C -ATOM 2866 O ALA C1137 -14.542 -6.245 -24.200 0.00 0.00 -0.273 OA -ATOM 2867 CB ALA C1137 -12.525 -3.724 -24.419 0.00 0.00 -0.036 C -ATOM 2868 H ALA C1137 -14.891 -3.004 -24.712 0.00 0.00 0.164 HD -ATOM 2869 HA ALA C1137 -13.042 -4.391 -26.382 0.00 0.00 0.063 H -ATOM 2870 HB1 ALA C1137 -11.517 -4.136 -24.490 0.00 0.00 0.026 H -ATOM 2871 HB2 ALA C1137 -12.465 -2.659 -24.637 0.00 0.00 0.026 H -ATOM 2872 HB3 ALA C1137 -12.848 -3.831 -23.386 0.00 0.00 0.026 H -ATOM 2873 N GLU C1138 -12.763 -6.739 -25.532 0.00 0.00 -0.343 N -ATOM 2874 CA GLU C1138 -12.624 -8.164 -25.241 0.00 0.00 0.108 C -ATOM 2875 C GLU C1138 -11.244 -8.387 -24.605 0.00 0.00 0.243 C -ATOM 2876 O GLU C1138 -10.345 -7.573 -24.812 0.00 0.00 -0.273 OA -ATOM 2877 CB GLU C1138 -12.776 -8.949 -26.560 0.00 0.00 -0.018 C -ATOM 2878 CG GLU C1138 -14.175 -8.787 -27.194 0.00 0.00 -0.011 C -ATOM 2879 CD GLU C1138 -14.297 -9.391 -28.593 0.00 0.00 0.041 C -ATOM 2880 OE1 GLU C1138 -13.515 -10.310 -28.917 0.00 0.00 -0.550 OA -ATOM 2881 OE2 GLU C1138 -15.188 -8.915 -29.331 0.00 0.00 -0.550 O -ATOM 2882 H GLU C1138 -12.065 -6.362 -26.160 0.00 0.00 0.164 HD -ATOM 2883 HA GLU C1138 -13.384 -8.491 -24.531 0.00 0.00 0.063 H -ATOM 2884 HB3 GLU C1138 -12.589 -10.008 -26.374 0.00 0.00 0.030 H -ATOM 2885 HB2 GLU C1138 -12.010 -8.626 -27.268 0.00 0.00 0.030 H -ATOM 2886 HG3 GLU C1138 -14.438 -7.732 -27.275 0.00 0.00 0.033 H -ATOM 2887 HG2 GLU C1138 -14.929 -9.244 -26.551 0.00 0.00 0.033 H -ATOM 2888 N TYR C1139 -11.102 -9.460 -23.813 0.00 0.00 -0.342 N -ATOM 2889 CA TYR C1139 -9.880 -9.749 -23.054 0.00 0.00 0.112 C -ATOM 2890 C TYR C1139 -9.556 -11.241 -23.109 0.00 0.00 0.243 C -ATOM 2891 O TYR C1139 -10.469 -12.055 -23.226 0.00 0.00 -0.273 OA -ATOM 2892 CB TYR C1139 -10.032 -9.288 -21.590 0.00 0.00 0.002 C -ATOM 2893 CG TYR C1139 -10.327 -7.811 -21.423 0.00 0.00 -0.045 A -ATOM 2894 CD1 TYR C1139 -9.276 -6.872 -21.367 0.00 0.00 -0.055 A -ATOM 2895 CD2 TYR C1139 -11.663 -7.370 -21.349 0.00 0.00 -0.055 A -ATOM 2896 CE1 TYR C1139 -9.564 -5.498 -21.241 0.00 0.00 -0.020 A -ATOM 2897 CE2 TYR C1139 -11.943 -6.000 -21.225 0.00 0.00 -0.020 A -ATOM 2898 CZ TYR C1139 -10.900 -5.061 -21.180 0.00 0.00 0.115 A -ATOM 2899 OH TYR C1139 -11.189 -3.732 -21.080 0.00 0.00 -0.508 OA -ATOM 2900 H TYR C1139 -11.872 -10.106 -23.690 0.00 0.00 0.164 HD -ATOM 2901 HA TYR C1139 -9.040 -9.220 -23.502 0.00 0.00 0.064 H -ATOM 2902 HB3 TYR C1139 -9.119 -9.516 -21.038 0.00 0.00 0.034 H -ATOM 2903 HB2 TYR C1139 -10.825 -9.855 -21.099 0.00 0.00 0.034 H -ATOM 2904 HD1 TYR C1139 -8.249 -7.202 -21.424 0.00 0.00 0.063 H -ATOM 2905 HD2 TYR C1139 -12.477 -8.079 -21.397 0.00 0.00 0.063 H -ATOM 2906 HE1 TYR C1139 -8.762 -4.777 -21.190 0.00 0.00 0.066 H -ATOM 2907 HE2 TYR C1139 -12.962 -5.672 -21.162 0.00 0.00 0.066 H -ATOM 2908 HH TYR C1139 -12.142 -3.567 -21.059 0.00 0.00 0.293 HD -ATOM 2909 N VAL C1140 -8.257 -11.566 -23.007 0.00 0.00 -0.342 N -ATOM 2910 CA VAL C1140 -7.756 -12.936 -23.040 0.00 0.00 0.110 C -ATOM 2911 C VAL C1140 -6.670 -13.105 -21.969 0.00 0.00 0.243 C -ATOM 2912 O VAL C1140 -5.639 -12.436 -22.042 0.00 0.00 -0.273 OA -ATOM 2913 CB VAL C1140 -7.132 -13.306 -24.417 0.00 0.00 -0.018 C -ATOM 2914 CG1 VAL C1140 -6.691 -14.781 -24.497 0.00 0.00 -0.060 C -ATOM 2915 CG2 VAL C1140 -8.089 -13.002 -25.574 0.00 0.00 -0.060 C -ATOM 2916 H VAL C1140 -7.560 -10.836 -22.935 0.00 0.00 0.164 HD -ATOM 2917 HA VAL C1140 -8.565 -13.634 -22.827 0.00 0.00 0.063 H -ATOM 2918 HB VAL C1140 -6.241 -12.699 -24.584 0.00 0.00 0.032 H -ATOM 2919 HG11 VAL C1140 -6.292 -15.022 -25.483 0.00 0.00 0.023 H -ATOM 2920 HG12 VAL C1140 -5.909 -15.017 -23.775 0.00 0.00 0.023 H -ATOM 2921 HG13 VAL C1140 -7.532 -15.449 -24.308 0.00 0.00 0.023 H -ATOM 2922 HG21 VAL C1140 -7.706 -13.401 -26.508 0.00 0.00 0.023 H -ATOM 2923 HG22 VAL C1140 -9.066 -13.446 -25.391 0.00 0.00 0.023 H -ATOM 2924 HG23 VAL C1140 -8.228 -11.930 -25.714 0.00 0.00 0.023 H -ATOM 2925 N ILE C1141 -6.912 -14.026 -21.024 0.00 0.00 -0.342 N -ATOM 2926 CA ILE C1141 -5.927 -14.481 -20.042 0.00 0.00 0.110 C -ATOM 2927 C ILE C1141 -5.362 -15.846 -20.475 0.00 0.00 0.243 C -ATOM 2928 O ILE C1141 -6.006 -16.583 -21.222 0.00 0.00 -0.273 OA -ATOM 2929 CB ILE C1141 -6.545 -14.619 -18.619 0.00 0.00 -0.015 C -ATOM 2930 CG1 ILE C1141 -7.655 -15.693 -18.524 0.00 0.00 -0.051 C -ATOM 2931 CG2 ILE C1141 -7.008 -13.240 -18.104 0.00 0.00 -0.060 C -ATOM 2932 CD1 ILE C1141 -8.350 -15.778 -17.163 0.00 0.00 -0.065 C -ATOM 2933 H ILE C1141 -7.781 -14.543 -21.049 0.00 0.00 0.164 HD -ATOM 2934 HA ILE C1141 -5.095 -13.775 -19.987 0.00 0.00 0.064 H -ATOM 2935 HB ILE C1141 -5.744 -14.934 -17.947 0.00 0.00 0.033 H -ATOM 2936 HG13 ILE C1141 -7.258 -16.682 -18.753 0.00 0.00 0.027 H -ATOM 2937 HG12 ILE C1141 -8.401 -15.487 -19.288 0.00 0.00 0.027 H -ATOM 2938 HG21 ILE C1141 -7.281 -13.273 -17.049 0.00 0.00 0.023 H -ATOM 2939 HG22 ILE C1141 -6.216 -12.497 -18.199 0.00 0.00 0.023 H -ATOM 2940 HG23 ILE C1141 -7.874 -12.875 -18.657 0.00 0.00 0.023 H -ATOM 2941 HD11 ILE C1141 -8.901 -16.713 -17.064 0.00 0.00 0.023 H -ATOM 2942 HD12 ILE C1141 -7.631 -15.730 -16.349 0.00 0.00 0.023 H -ATOM 2943 HD13 ILE C1141 -9.055 -14.957 -17.037 0.00 0.00 0.023 H -ATOM 2944 N TYR C1142 -4.149 -16.138 -19.990 0.00 0.00 -0.342 N -ATOM 2945 CA TYR C1142 -3.349 -17.312 -20.344 0.00 0.00 0.112 C -ATOM 2946 C TYR C1142 -3.034 -18.177 -19.107 0.00 0.00 0.243 C -ATOM 2947 O TYR C1142 -2.251 -19.120 -19.209 0.00 0.00 -0.273 OA -ATOM 2948 CB TYR C1142 -2.086 -16.826 -21.081 0.00 0.00 0.002 C -ATOM 2949 CG TYR C1142 -2.403 -16.015 -22.328 0.00 0.00 -0.045 A -ATOM 2950 CD1 TYR C1142 -2.513 -14.610 -22.245 0.00 0.00 -0.055 A -ATOM 2951 CD2 TYR C1142 -2.657 -16.661 -23.557 0.00 0.00 -0.055 A -ATOM 2952 CE1 TYR C1142 -2.878 -13.859 -23.376 0.00 0.00 -0.020 A -ATOM 2953 CE2 TYR C1142 -3.015 -15.909 -24.693 0.00 0.00 -0.020 A -ATOM 2954 CZ TYR C1142 -3.131 -14.508 -24.599 0.00 0.00 0.115 A -ATOM 2955 OH TYR C1142 -3.500 -13.771 -25.685 0.00 0.00 -0.508 OA -ATOM 2956 H TYR C1142 -3.690 -15.479 -19.374 0.00 0.00 0.164 HD -ATOM 2957 HA TYR C1142 -3.906 -17.951 -21.029 0.00 0.00 0.064 H -ATOM 2958 HB3 TYR C1142 -1.465 -17.673 -21.361 0.00 0.00 0.034 H -ATOM 2959 HB2 TYR C1142 -1.472 -16.222 -20.413 0.00 0.00 0.034 H -ATOM 2960 HD1 TYR C1142 -2.341 -14.106 -21.305 0.00 0.00 0.063 H -ATOM 2961 HD2 TYR C1142 -2.596 -17.736 -23.627 0.00 0.00 0.063 H -ATOM 2962 HE1 TYR C1142 -2.976 -12.788 -23.297 0.00 0.00 0.066 H -ATOM 2963 HE2 TYR C1142 -3.214 -16.413 -25.627 0.00 0.00 0.066 H -ATOM 2964 HH TYR C1142 -3.655 -14.296 -26.479 0.00 0.00 0.293 HD -ATOM 2965 N ARG C1143 -3.684 -17.857 -17.978 0.00 0.00 -0.343 N -ATOM 2966 CA ARG C1143 -3.725 -18.627 -16.743 0.00 0.00 0.108 C -ATOM 2967 C ARG C1143 -5.198 -18.748 -16.341 0.00 0.00 0.243 C -ATOM 2968 O ARG C1143 -5.905 -17.740 -16.333 0.00 0.00 -0.273 OA -ATOM 2969 CB ARG C1143 -2.935 -17.885 -15.638 0.00 0.00 -0.021 C -ATOM 2970 CG ARG C1143 -1.412 -17.798 -15.858 0.00 0.00 -0.020 C -ATOM 2971 CD ARG C1143 -0.658 -19.128 -15.677 0.00 0.00 0.064 C -ATOM 2972 NE ARG C1143 -0.697 -19.607 -14.288 0.00 0.00 -0.278 N -ATOM 2973 CZ ARG C1143 0.113 -19.227 -13.286 0.00 0.00 0.338 C -ATOM 2974 NH1 ARG C1143 1.103 -18.344 -13.465 0.00 0.00 -0.291 N -ATOM 2975 NH2 ARG C1143 -0.077 -19.750 -12.070 0.00 0.00 -0.291 N -ATOM 2976 H ARG C1143 -4.313 -17.066 -18.000 0.00 0.00 0.164 HD -ATOM 2977 HA ARG C1143 -3.322 -19.629 -16.900 0.00 0.00 0.063 H -ATOM 2978 HB3 ARG C1143 -3.124 -18.352 -14.672 0.00 0.00 0.029 H -ATOM 2979 HB2 ARG C1143 -3.326 -16.871 -15.547 0.00 0.00 0.029 H -ATOM 2980 HG3 ARG C1143 -1.054 -17.127 -15.077 0.00 0.00 0.030 H -ATOM 2981 HG2 ARG C1143 -1.144 -17.314 -16.797 0.00 0.00 0.030 H -ATOM 2982 HD3 ARG C1143 0.338 -19.125 -16.119 0.00 0.00 0.066 H -ATOM 2983 HD2 ARG C1143 -1.209 -19.897 -16.215 0.00 0.00 0.066 H -ATOM 2984 HE ARG C1143 -1.468 -20.227 -14.059 0.00 0.00 0.260 HD -ATOM 2985 HH12 ARG C1143 1.705 -18.107 -12.685 0.00 0.00 0.256 HD -ATOM 2986 HH11 ARG C1143 1.283 -17.935 -14.375 0.00 0.00 0.256 HD -ATOM 2987 HH22 ARG C1143 0.495 -19.462 -11.286 0.00 0.00 0.256 HD -ATOM 2988 HH21 ARG C1143 -0.806 -20.447 -11.927 0.00 0.00 0.256 HD -ATOM 2989 N GLY C1144 -5.624 -19.965 -15.968 0.00 0.00 -0.345 N -ATOM 2990 CA GLY C1144 -6.966 -20.229 -15.447 0.00 0.00 0.097 C -ATOM 2991 C GLY C1144 -7.151 -19.668 -14.027 0.00 0.00 0.240 C -ATOM 2992 O GLY C1144 -8.273 -19.363 -13.628 0.00 0.00 -0.273 OA -ATOM 2993 H GLY C1144 -4.987 -20.750 -15.994 0.00 0.00 0.164 HD -ATOM 2994 HA3 GLY C1144 -7.111 -21.306 -15.423 0.00 0.00 0.059 H -ATOM 2995 HA2 GLY C1144 -7.720 -19.811 -16.113 0.00 0.00 0.059 H -ATOM 2996 N GLU C1145 -6.046 -19.484 -13.287 0.00 0.00 -0.343 N -ATOM 2997 CA GLU C1145 -5.990 -18.860 -11.969 0.00 0.00 0.108 C -ATOM 2998 C GLU C1145 -6.268 -17.341 -11.995 0.00 0.00 0.243 C -ATOM 2999 O GLU C1145 -6.550 -16.785 -10.937 0.00 0.00 -0.273 OA -ATOM 3000 CB GLU C1145 -4.624 -19.158 -11.306 0.00 0.00 -0.018 C -ATOM 3001 CG GLU C1145 -4.199 -20.645 -11.285 0.00 0.00 -0.011 C -ATOM 3002 CD GLU C1145 -3.236 -21.046 -12.410 0.00 0.00 0.041 C -ATOM 3003 OE1 GLU C1145 -3.509 -20.714 -13.585 0.00 0.00 -0.550 OA -ATOM 3004 OE2 GLU C1145 -2.205 -21.667 -12.074 0.00 0.00 -0.550 O -ATOM 3005 H GLU C1145 -5.153 -19.798 -13.652 0.00 0.00 0.164 HD -ATOM 3006 HA GLU C1145 -6.766 -19.322 -11.355 0.00 0.00 0.063 H -ATOM 3007 HB3 GLU C1145 -4.660 -18.805 -10.275 0.00 0.00 0.030 H -ATOM 3008 HB2 GLU C1145 -3.842 -18.570 -11.787 0.00 0.00 0.030 H -ATOM 3009 HG3 GLU C1145 -5.072 -21.295 -11.321 0.00 0.00 0.033 H -ATOM 3010 HG2 GLU C1145 -3.709 -20.855 -10.333 0.00 0.00 0.033 H -ATOM 3011 N GLN C1146 -6.207 -16.702 -13.180 0.00 0.00 -0.343 N -ATOM 3012 CA GLN C1146 -6.536 -15.287 -13.392 0.00 0.00 0.108 C -ATOM 3013 C GLN C1146 -8.034 -14.987 -13.605 0.00 0.00 0.243 C -ATOM 3014 O GLN C1146 -8.361 -13.856 -13.961 0.00 0.00 -0.273 OA -ATOM 3015 CB GLN C1146 -5.616 -14.672 -14.475 0.00 0.00 -0.015 C -ATOM 3016 CG GLN C1146 -4.215 -14.350 -13.924 0.00 0.00 0.029 C -ATOM 3017 CD GLN C1146 -3.294 -13.683 -14.943 0.00 0.00 0.217 C -ATOM 3018 NE2 GLN C1146 -3.732 -12.575 -15.544 0.00 0.00 -0.370 N -ATOM 3019 OE1 GLN C1146 -2.186 -14.163 -15.177 0.00 0.00 -0.275 OA -ATOM 3020 H GLN C1146 -5.979 -17.231 -14.010 0.00 0.00 0.164 HD -ATOM 3021 HA GLN C1146 -6.306 -14.759 -12.471 0.00 0.00 0.063 H -ATOM 3022 HB3 GLN C1146 -6.052 -13.754 -14.866 0.00 0.00 0.030 H -ATOM 3023 HB2 GLN C1146 -5.532 -15.345 -15.328 0.00 0.00 0.030 H -ATOM 3024 HG3 GLN C1146 -3.743 -15.272 -13.588 0.00 0.00 0.037 H -ATOM 3025 HG2 GLN C1146 -4.290 -13.695 -13.055 0.00 0.00 0.037 H -ATOM 3026 HE22 GLN C1146 -3.161 -12.114 -16.240 0.00 0.00 0.159 HD -ATOM 3027 HE21 GLN C1146 -4.647 -12.196 -15.331 0.00 0.00 0.159 HD -ATOM 3028 N ALA C1147 -8.921 -15.962 -13.339 0.00 0.00 -0.343 N -ATOM 3029 CA ALA C1147 -10.370 -15.765 -13.328 0.00 0.00 0.105 C -ATOM 3030 C ALA C1147 -11.045 -16.647 -12.272 0.00 0.00 0.242 C -ATOM 3031 O ALA C1147 -10.578 -17.753 -11.995 0.00 0.00 -0.273 OA -ATOM 3032 CB ALA C1147 -10.954 -16.025 -14.724 0.00 0.00 -0.036 C -ATOM 3033 H ALA C1147 -8.597 -16.875 -13.053 0.00 0.00 0.164 HD -ATOM 3034 HA ALA C1147 -10.582 -14.731 -13.057 0.00 0.00 0.063 H -ATOM 3035 HB1 ALA C1147 -12.044 -16.000 -14.713 0.00 0.00 0.026 H -ATOM 3036 HB2 ALA C1147 -10.629 -15.258 -15.426 0.00 0.00 0.026 H -ATOM 3037 HB3 ALA C1147 -10.645 -16.994 -15.116 0.00 0.00 0.026 H -ATOM 3038 N TYR C1148 -12.157 -16.129 -11.732 0.00 0.00 -0.342 N -ATOM 3039 CA TYR C1148 -13.067 -16.820 -10.824 0.00 0.00 0.112 C -ATOM 3040 C TYR C1148 -14.500 -16.560 -11.333 0.00 0.00 0.246 C -ATOM 3041 O TYR C1148 -14.870 -15.389 -11.429 0.00 0.00 -0.272 OA -ATOM 3042 CB TYR C1148 -12.871 -16.262 -9.398 0.00 0.00 0.002 C -ATOM 3043 CG TYR C1148 -13.769 -16.905 -8.354 0.00 0.00 -0.045 A -ATOM 3044 CD1 TYR C1148 -13.459 -18.186 -7.856 0.00 0.00 -0.055 A -ATOM 3045 CD2 TYR C1148 -14.922 -16.237 -7.890 0.00 0.00 -0.055 A -ATOM 3046 CE1 TYR C1148 -14.298 -18.795 -6.903 0.00 0.00 -0.020 A -ATOM 3047 CE2 TYR C1148 -15.764 -16.850 -6.941 0.00 0.00 -0.020 A -ATOM 3048 CZ TYR C1148 -15.452 -18.132 -6.448 0.00 0.00 0.115 A -ATOM 3049 OH TYR C1148 -16.261 -18.736 -5.532 0.00 0.00 -0.508 OA -ATOM 3050 H TYR C1148 -12.442 -15.195 -11.997 0.00 0.00 0.164 HD -ATOM 3051 HA TYR C1148 -12.821 -17.879 -10.806 0.00 0.00 0.064 H -ATOM 3052 HB3 TYR C1148 -13.018 -15.181 -9.383 0.00 0.00 0.034 H -ATOM 3053 HB2 TYR C1148 -11.840 -16.425 -9.089 0.00 0.00 0.034 H -ATOM 3054 HD1 TYR C1148 -12.579 -18.706 -8.206 0.00 0.00 0.063 H -ATOM 3055 HD2 TYR C1148 -15.158 -15.251 -8.259 0.00 0.00 0.063 H -ATOM 3056 HE1 TYR C1148 -14.058 -19.773 -6.517 0.00 0.00 0.066 H -ATOM 3057 HE2 TYR C1148 -16.644 -16.331 -6.590 0.00 0.00 0.066 H -ATOM 3058 HH TYR C1148 -17.082 -18.255 -5.391 0.00 0.00 0.293 HD -ATOM 3059 N PRO C1149 -15.275 -17.620 -11.666 0.00 0.00 -0.329 N -ATOM 3060 CA PRO C1149 -16.651 -17.472 -12.174 0.00 0.00 0.111 C -ATOM 3061 C PRO C1149 -17.641 -17.133 -11.046 0.00 0.00 0.243 C -ATOM 3062 O PRO C1149 -18.276 -18.038 -10.517 0.00 0.00 -0.273 OA -ATOM 3063 CB PRO C1149 -16.914 -18.836 -12.838 0.00 0.00 -0.022 C -ATOM 3064 CG PRO C1149 -16.128 -19.824 -11.987 0.00 0.00 -0.033 C -ATOM 3065 CD PRO C1149 -14.887 -19.033 -11.594 0.00 0.00 0.021 C -ATOM 3066 HA PRO C1149 -16.713 -16.684 -12.920 0.00 0.00 0.063 H -ATOM 3067 HB3 PRO C1149 -16.512 -18.825 -13.851 0.00 0.00 0.029 H -ATOM 3068 HB2 PRO C1149 -17.969 -19.097 -12.915 0.00 0.00 0.029 H -ATOM 3069 HG3 PRO C1149 -15.893 -20.755 -12.498 0.00 0.00 0.029 H -ATOM 3070 HG2 PRO C1149 -16.699 -20.078 -11.094 0.00 0.00 0.029 H -ATOM 3071 HD2 PRO C1149 -14.541 -19.327 -10.601 0.00 0.00 0.049 H -ATOM 3072 HD3 PRO C1149 -14.087 -19.218 -12.310 0.00 0.00 0.049 H -ATOM 3073 N GLU C1150 -17.706 -15.848 -10.659 0.00 0.00 -0.343 N -ATOM 3074 CA GLU C1150 -18.335 -15.397 -9.416 0.00 0.00 0.108 C -ATOM 3075 C GLU C1150 -19.869 -15.506 -9.376 0.00 0.00 0.243 C -ATOM 3076 O GLU C1150 -20.411 -15.802 -8.311 0.00 0.00 -0.273 OA -ATOM 3077 CB GLU C1150 -17.820 -13.985 -9.079 0.00 0.00 -0.018 C -ATOM 3078 CG GLU C1150 -18.273 -13.475 -7.696 0.00 0.00 -0.011 C -ATOM 3079 CD GLU C1150 -17.434 -12.298 -7.215 0.00 0.00 0.041 C -ATOM 3080 OE1 GLU C1150 -16.220 -12.514 -7.010 0.00 0.00 -0.550 OA -ATOM 3081 OE2 GLU C1150 -18.006 -11.204 -7.022 0.00 0.00 -0.550 O -ATOM 3082 H GLU C1150 -17.156 -15.159 -11.149 0.00 0.00 0.164 HD -ATOM 3083 HA GLU C1150 -17.968 -16.063 -8.633 0.00 0.00 0.063 H -ATOM 3084 HB3 GLU C1150 -18.157 -13.285 -9.845 0.00 0.00 0.030 H -ATOM 3085 HB2 GLU C1150 -16.732 -13.979 -9.145 0.00 0.00 0.030 H -ATOM 3086 HG3 GLU C1150 -18.176 -14.272 -6.959 0.00 0.00 0.033 H -ATOM 3087 HG2 GLU C1150 -19.327 -13.194 -7.715 0.00 0.00 0.033 H -ATOM 3088 N TYR C1151 -20.527 -15.294 -10.526 0.00 0.00 -0.342 N -ATOM 3089 CA TYR C1151 -21.970 -15.463 -10.678 0.00 0.00 0.112 C -ATOM 3090 C TYR C1151 -22.255 -16.397 -11.856 0.00 0.00 0.243 C -ATOM 3091 O TYR C1151 -21.529 -16.365 -12.849 0.00 0.00 -0.273 OA -ATOM 3092 CB TYR C1151 -22.668 -14.105 -10.910 0.00 0.00 0.002 C -ATOM 3093 CG TYR C1151 -22.404 -13.038 -9.863 0.00 0.00 -0.045 A -ATOM 3094 CD1 TYR C1151 -23.220 -12.944 -8.717 0.00 0.00 -0.055 A -ATOM 3095 CD2 TYR C1151 -21.336 -12.133 -10.036 0.00 0.00 -0.055 A -ATOM 3096 CE1 TYR C1151 -22.964 -11.954 -7.748 0.00 0.00 -0.020 A -ATOM 3097 CE2 TYR C1151 -21.078 -11.147 -9.067 0.00 0.00 -0.020 A -ATOM 3098 CZ TYR C1151 -21.890 -11.058 -7.921 0.00 0.00 0.115 A -ATOM 3099 OH TYR C1151 -21.625 -10.103 -6.985 0.00 0.00 -0.508 OA -ATOM 3100 H TYR C1151 -20.013 -15.055 -11.363 0.00 0.00 0.164 HD -ATOM 3101 HA TYR C1151 -22.382 -15.916 -9.778 0.00 0.00 0.064 H -ATOM 3102 HB3 TYR C1151 -23.747 -14.255 -10.975 0.00 0.00 0.034 H -ATOM 3103 HB2 TYR C1151 -22.373 -13.707 -11.878 0.00 0.00 0.034 H -ATOM 3104 HD1 TYR C1151 -24.040 -13.634 -8.579 0.00 0.00 0.063 H -ATOM 3105 HD2 TYR C1151 -20.703 -12.198 -10.908 0.00 0.00 0.063 H -ATOM 3106 HE1 TYR C1151 -23.592 -11.886 -6.871 0.00 0.00 0.066 H -ATOM 3107 HE2 TYR C1151 -20.251 -10.465 -9.196 0.00 0.00 0.066 H -ATOM 3108 HH TYR C1151 -22.158 -10.192 -6.183 0.00 0.00 0.293 HD -ATOM 3109 N LEU C1152 -23.349 -17.159 -11.727 0.00 0.00 -0.343 N -ATOM 3110 CA LEU C1152 -23.972 -17.951 -12.780 0.00 0.00 0.108 C -ATOM 3111 C LEU C1152 -25.362 -17.345 -13.011 0.00 0.00 0.243 C -ATOM 3112 O LEU C1152 -26.193 -17.387 -12.105 0.00 0.00 -0.273 OA -ATOM 3113 CB LEU C1152 -24.024 -19.431 -12.325 0.00 0.00 -0.021 C -ATOM 3114 CG LEU C1152 -24.738 -20.416 -13.283 0.00 0.00 -0.045 C -ATOM 3115 CD1 LEU C1152 -24.022 -20.531 -14.637 0.00 0.00 -0.063 C -ATOM 3116 CD2 LEU C1152 -24.890 -21.805 -12.635 0.00 0.00 -0.063 C -ATOM 3117 H LEU C1152 -23.876 -17.106 -10.864 0.00 0.00 0.164 HD -ATOM 3118 HA LEU C1152 -23.395 -17.881 -13.703 0.00 0.00 0.063 H -ATOM 3119 HB3 LEU C1152 -24.518 -19.476 -11.353 0.00 0.00 0.030 H -ATOM 3120 HB2 LEU C1152 -23.006 -19.783 -12.150 0.00 0.00 0.030 H -ATOM 3121 HG LEU C1152 -25.747 -20.050 -13.476 0.00 0.00 0.030 H -ATOM 3122 HD11 LEU C1152 -24.455 -21.323 -15.246 0.00 0.00 0.023 H -ATOM 3123 HD12 LEU C1152 -24.087 -19.606 -15.209 0.00 0.00 0.023 H -ATOM 3124 HD13 LEU C1152 -22.972 -20.782 -14.500 0.00 0.00 0.023 H -ATOM 3125 HD21 LEU C1152 -24.452 -22.596 -13.245 0.00 0.00 0.023 H -ATOM 3126 HD22 LEU C1152 -24.407 -21.851 -11.660 0.00 0.00 0.023 H -ATOM 3127 HD23 LEU C1152 -25.941 -22.054 -12.492 0.00 0.00 0.023 H -ATOM 3128 N ILE C1153 -25.572 -16.774 -14.205 0.00 0.00 -0.342 N -ATOM 3129 CA ILE C1153 -26.812 -16.119 -14.618 0.00 0.00 0.110 C -ATOM 3130 C ILE C1153 -27.527 -17.058 -15.602 0.00 0.00 0.243 C -ATOM 3131 O ILE C1153 -26.986 -17.302 -16.678 0.00 0.00 -0.273 OA -ATOM 3132 CB ILE C1153 -26.527 -14.772 -15.360 0.00 0.00 -0.015 C -ATOM 3133 CG1 ILE C1153 -25.728 -13.780 -14.480 0.00 0.00 -0.051 C -ATOM 3134 CG2 ILE C1153 -27.808 -14.094 -15.902 0.00 0.00 -0.060 C -ATOM 3135 CD1 ILE C1153 -25.148 -12.592 -15.263 0.00 0.00 -0.065 C -ATOM 3136 H ILE C1153 -24.836 -16.790 -14.901 0.00 0.00 0.164 HD -ATOM 3137 HA ILE C1153 -27.457 -15.920 -13.761 0.00 0.00 0.064 H -ATOM 3138 HB ILE C1153 -25.895 -14.992 -16.223 0.00 0.00 0.033 H -ATOM 3139 HG13 ILE C1153 -24.897 -14.284 -13.987 0.00 0.00 0.027 H -ATOM 3140 HG12 ILE C1153 -26.362 -13.408 -13.678 0.00 0.00 0.027 H -ATOM 3141 HG21 ILE C1153 -27.585 -13.143 -16.384 0.00 0.00 0.023 H -ATOM 3142 HG22 ILE C1153 -28.321 -14.700 -16.649 0.00 0.00 0.023 H -ATOM 3143 HG23 ILE C1153 -28.517 -13.893 -15.099 0.00 0.00 0.023 H -ATOM 3144 HD11 ILE C1153 -24.324 -12.138 -14.715 0.00 0.00 0.023 H -ATOM 3145 HD12 ILE C1153 -24.766 -12.896 -16.238 0.00 0.00 0.023 H -ATOM 3146 HD13 ILE C1153 -25.896 -11.815 -15.421 0.00 0.00 0.023 H -ATOM 3147 N THR C1154 -28.726 -17.536 -15.235 0.00 0.00 -0.340 N -ATOM 3148 CA THR C1154 -29.620 -18.285 -16.122 0.00 0.00 0.134 C -ATOM 3149 C THR C1154 -30.651 -17.320 -16.735 0.00 0.00 0.245 C -ATOM 3150 O THR C1154 -31.152 -16.440 -16.034 0.00 0.00 -0.273 OA -ATOM 3151 CB THR C1154 -30.399 -19.393 -15.366 0.00 0.00 0.080 C -ATOM 3152 CG2 THR C1154 -31.275 -20.289 -16.263 0.00 0.00 -0.036 C -ATOM 3153 OG1 THR C1154 -29.486 -20.239 -14.693 0.00 0.00 -0.391 OA -ATOM 3154 H THR C1154 -29.114 -17.273 -14.337 0.00 0.00 0.164 HD -ATOM 3155 HA THR C1154 -29.043 -18.749 -16.920 0.00 0.00 0.066 H -ATOM 3156 HB THR C1154 -31.035 -18.934 -14.610 0.00 0.00 0.062 H -ATOM 3157 HG21 THR C1154 -31.734 -21.092 -15.685 0.00 0.00 0.026 H -ATOM 3158 HG22 THR C1154 -32.087 -19.734 -16.731 0.00 0.00 0.026 H -ATOM 3159 HG23 THR C1154 -30.688 -20.749 -17.059 0.00 0.00 0.026 H -ATOM 3160 HG1 THR C1154 -29.001 -20.757 -15.341 0.00 0.00 0.211 HD -ATOM 3161 N TYR C1155 -30.938 -17.491 -18.034 0.00 0.00 -0.342 N -ATOM 3162 CA TYR C1155 -31.750 -16.559 -18.815 0.00 0.00 0.112 C -ATOM 3163 C TYR C1155 -32.263 -17.214 -20.107 0.00 0.00 0.243 C -ATOM 3164 O TYR C1155 -31.781 -18.270 -20.512 0.00 0.00 -0.273 OA -ATOM 3165 CB TYR C1155 -30.920 -15.285 -19.129 0.00 0.00 0.002 C -ATOM 3166 CG TYR C1155 -29.779 -15.488 -20.114 0.00 0.00 -0.045 A -ATOM 3167 CD1 TYR C1155 -28.586 -16.103 -19.690 0.00 0.00 -0.055 A -ATOM 3168 CD2 TYR C1155 -29.924 -15.111 -21.465 0.00 0.00 -0.055 A -ATOM 3169 CE1 TYR C1155 -27.568 -16.369 -20.619 0.00 0.00 -0.020 A -ATOM 3170 CE2 TYR C1155 -28.900 -15.373 -22.394 0.00 0.00 -0.020 A -ATOM 3171 CZ TYR C1155 -27.721 -16.011 -21.970 0.00 0.00 0.115 A -ATOM 3172 OH TYR C1155 -26.731 -16.296 -22.860 0.00 0.00 -0.508 OA -ATOM 3173 H TYR C1155 -30.501 -18.241 -18.556 0.00 0.00 0.164 HD -ATOM 3174 HA TYR C1155 -32.619 -16.281 -18.221 0.00 0.00 0.064 H -ATOM 3175 HB3 TYR C1155 -30.519 -14.850 -18.212 0.00 0.00 0.034 H -ATOM 3176 HB2 TYR C1155 -31.585 -14.525 -19.539 0.00 0.00 0.034 H -ATOM 3177 HD1 TYR C1155 -28.456 -16.396 -18.660 0.00 0.00 0.063 H -ATOM 3178 HD2 TYR C1155 -30.834 -14.637 -21.794 0.00 0.00 0.063 H -ATOM 3179 HE1 TYR C1155 -26.674 -16.861 -20.289 0.00 0.00 0.066 H -ATOM 3180 HE2 TYR C1155 -29.027 -15.094 -23.429 0.00 0.00 0.066 H -ATOM 3181 HH TYR C1155 -26.927 -16.016 -23.761 0.00 0.00 0.293 HD -ATOM 3182 N GLN C1156 -33.199 -16.511 -20.755 0.00 0.00 -0.342 N -ATOM 3183 CA GLN C1156 -33.580 -16.695 -22.152 0.00 0.00 0.108 C -ATOM 3184 C GLN C1156 -33.279 -15.389 -22.900 0.00 0.00 0.243 C -ATOM 3185 O GLN C1156 -33.443 -14.316 -22.320 0.00 0.00 -0.273 OA -ATOM 3186 CB GLN C1156 -35.094 -16.977 -22.236 0.00 0.00 -0.015 C -ATOM 3187 CG GLN C1156 -35.531 -18.334 -21.649 0.00 0.00 0.029 C -ATOM 3188 CD GLN C1156 -37.045 -18.410 -21.428 0.00 0.00 0.217 C -ATOM 3189 NE2 GLN C1156 -37.643 -19.580 -21.651 0.00 0.00 -0.370 N -ATOM 3190 OE1 GLN C1156 -37.675 -17.433 -21.028 0.00 0.00 -0.275 OA -ATOM 3191 H GLN C1156 -33.571 -15.676 -20.319 0.00 0.00 0.164 HD -ATOM 3192 HA GLN C1156 -33.016 -17.511 -22.605 0.00 0.00 0.063 H -ATOM 3193 HB3 GLN C1156 -35.418 -16.940 -23.277 0.00 0.00 0.030 H -ATOM 3194 HB2 GLN C1156 -35.617 -16.161 -21.735 0.00 0.00 0.030 H -ATOM 3195 HG3 GLN C1156 -35.059 -18.496 -20.681 0.00 0.00 0.037 H -ATOM 3196 HG2 GLN C1156 -35.198 -19.146 -22.297 0.00 0.00 0.037 H -ATOM 3197 HE22 GLN C1156 -38.634 -19.678 -21.489 0.00 0.00 0.159 HD -ATOM 3198 HE21 GLN C1156 -37.121 -20.377 -21.995 0.00 0.00 0.159 HD -ATOM 3199 N ILE C1157 -32.917 -15.486 -24.190 0.00 0.00 -0.342 N -ATOM 3200 CA ILE C1157 -33.001 -14.348 -25.112 0.00 0.00 0.110 C -ATOM 3201 C ILE C1157 -34.479 -14.088 -25.485 0.00 0.00 0.243 C -ATOM 3202 O ILE C1157 -35.272 -15.031 -25.474 0.00 0.00 -0.273 OA -ATOM 3203 CB ILE C1157 -32.163 -14.564 -26.406 0.00 0.00 -0.015 C -ATOM 3204 CG1 ILE C1157 -32.516 -15.816 -27.243 0.00 0.00 -0.051 C -ATOM 3205 CG2 ILE C1157 -30.654 -14.517 -26.112 0.00 0.00 -0.060 C -ATOM 3206 CD1 ILE C1157 -32.115 -15.690 -28.722 0.00 0.00 -0.065 C -ATOM 3207 H ILE C1157 -32.817 -16.400 -24.613 0.00 0.00 0.164 HD -ATOM 3208 HA ILE C1157 -32.624 -13.454 -24.612 0.00 0.00 0.064 H -ATOM 3209 HB ILE C1157 -32.367 -13.702 -27.039 0.00 0.00 0.033 H -ATOM 3210 HG13 ILE C1157 -33.579 -16.036 -27.204 0.00 0.00 0.027 H -ATOM 3211 HG12 ILE C1157 -32.028 -16.689 -26.810 0.00 0.00 0.027 H -ATOM 3212 HG21 ILE C1157 -30.063 -14.592 -27.025 0.00 0.00 0.023 H -ATOM 3213 HG22 ILE C1157 -30.384 -13.577 -25.634 0.00 0.00 0.023 H -ATOM 3214 HG23 ILE C1157 -30.348 -15.332 -25.455 0.00 0.00 0.023 H -ATOM 3215 HD11 ILE C1157 -32.615 -16.451 -29.319 0.00 0.00 0.023 H -ATOM 3216 HD12 ILE C1157 -32.392 -14.720 -29.136 0.00 0.00 0.023 H -ATOM 3217 HD13 ILE C1157 -31.041 -15.815 -28.857 0.00 0.00 0.023 H -ATOM 3218 N MET C1158 -34.831 -12.823 -25.769 0.00 0.00 -0.342 N -ATOM 3219 CA MET C1158 -36.202 -12.422 -26.105 0.00 0.00 0.109 C -ATOM 3220 C MET C1158 -36.313 -12.051 -27.586 0.00 0.00 0.243 C -ATOM 3221 O MET C1158 -35.430 -11.383 -28.120 0.00 0.00 -0.273 OA -ATOM 3222 CB MET C1158 -36.649 -11.236 -25.228 0.00 0.00 -0.015 C -ATOM 3223 CG MET C1158 -36.723 -11.585 -23.735 0.00 0.00 -0.005 C -ATOM 3224 SD MET C1158 -37.388 -10.271 -22.678 0.00 0.00 -0.165 SA -ATOM 3225 CE MET C1158 -39.144 -10.350 -23.117 0.00 0.00 -0.018 C -ATOM 3226 H MET C1158 -34.143 -12.083 -25.742 0.00 0.00 0.164 HD -ATOM 3227 HA MET C1158 -36.898 -13.242 -25.917 0.00 0.00 0.063 H -ATOM 3228 HB3 MET C1158 -37.627 -10.890 -25.562 0.00 0.00 0.030 H -ATOM 3229 HB2 MET C1158 -35.973 -10.391 -25.366 0.00 0.00 0.030 H -ATOM 3230 HG3 MET C1158 -35.725 -11.828 -23.375 0.00 0.00 0.038 H -ATOM 3231 HG2 MET C1158 -37.327 -12.481 -23.587 0.00 0.00 0.038 H -ATOM 3232 HE1 MET C1158 -39.717 -9.676 -22.481 0.00 0.00 0.034 H -ATOM 3233 HE2 MET C1158 -39.300 -10.055 -24.154 0.00 0.00 0.034 H -ATOM 3234 HE3 MET C1158 -39.527 -11.362 -22.978 0.00 0.00 0.034 H -ATOM 3235 N ARG C1159 -37.433 -12.463 -28.200 0.00 0.00 -0.343 N -ATOM 3236 CA ARG C1159 -37.815 -12.154 -29.577 0.00 0.00 0.108 C -ATOM 3237 C ARG C1159 -38.238 -10.670 -29.677 0.00 0.00 0.245 C -ATOM 3238 O ARG C1159 -39.190 -10.300 -28.986 0.00 0.00 -0.272 OA -ATOM 3239 CB ARG C1159 -38.984 -13.096 -29.941 0.00 0.00 -0.021 C -ATOM 3240 CG ARG C1159 -39.433 -13.011 -31.413 0.00 0.00 -0.020 C -ATOM 3241 CD ARG C1159 -40.697 -13.834 -31.709 0.00 0.00 0.064 C -ATOM 3242 NE ARG C1159 -40.478 -15.285 -31.616 0.00 0.00 -0.278 N -ATOM 3243 CZ ARG C1159 -40.043 -16.087 -32.604 0.00 0.00 0.338 C -ATOM 3244 NH1 ARG C1159 -39.735 -15.597 -33.814 0.00 0.00 -0.291 N -ATOM 3245 NH2 ARG C1159 -39.919 -17.401 -32.378 0.00 0.00 -0.291 N -ATOM 3246 H ARG C1159 -38.109 -13.003 -27.675 0.00 0.00 0.164 HD -ATOM 3247 HA ARG C1159 -36.983 -12.396 -30.234 0.00 0.00 0.063 H -ATOM 3248 HB3 ARG C1159 -39.832 -12.881 -29.289 0.00 0.00 0.029 H -ATOM 3249 HB2 ARG C1159 -38.700 -14.127 -29.725 0.00 0.00 0.029 H -ATOM 3250 HG3 ARG C1159 -38.607 -13.404 -32.008 0.00 0.00 0.030 H -ATOM 3251 HG2 ARG C1159 -39.588 -11.987 -31.754 0.00 0.00 0.030 H -ATOM 3252 HD3 ARG C1159 -41.220 -13.519 -32.612 0.00 0.00 0.066 H -ATOM 3253 HD2 ARG C1159 -41.395 -13.642 -30.893 0.00 0.00 0.066 H -ATOM 3254 HE ARG C1159 -40.622 -15.688 -30.697 0.00 0.00 0.260 HD -ATOM 3255 HH12 ARG C1159 -39.402 -16.207 -34.547 0.00 0.00 0.256 HD -ATOM 3256 HH11 ARG C1159 -39.829 -14.609 -33.994 0.00 0.00 0.256 HD -ATOM 3257 HH22 ARG C1159 -39.569 -18.013 -33.101 0.00 0.00 0.256 HD -ATOM 3258 HH21 ARG C1159 -40.156 -17.793 -31.475 0.00 0.00 0.256 HD -ATOM 3259 N PRO C1160 -37.543 -9.842 -30.498 0.00 0.00 -0.329 N -ATOM 3260 CA PRO C1160 -37.939 -8.439 -30.748 0.00 0.00 0.111 C -ATOM 3261 C PRO C1160 -39.386 -8.268 -31.246 0.00 0.00 0.243 C -ATOM 3262 O PRO C1160 -39.760 -8.849 -32.265 0.00 0.00 -0.273 OA -ATOM 3263 CB PRO C1160 -36.914 -7.938 -31.779 0.00 0.00 -0.022 C -ATOM 3264 CG PRO C1160 -35.692 -8.799 -31.536 0.00 0.00 -0.033 C -ATOM 3265 CD PRO C1160 -36.306 -10.156 -31.215 0.00 0.00 0.021 C -ATOM 3266 HA PRO C1160 -37.794 -7.896 -29.812 0.00 0.00 0.063 H -ATOM 3267 HB3 PRO C1160 -36.698 -6.874 -31.675 0.00 0.00 0.029 H -ATOM 3268 HB2 PRO C1160 -37.265 -8.102 -32.799 0.00 0.00 0.029 H -ATOM 3269 HG3 PRO C1160 -35.153 -8.422 -30.666 0.00 0.00 0.029 H -ATOM 3270 HG2 PRO C1160 -35.000 -8.812 -32.376 0.00 0.00 0.029 H -ATOM 3271 HD2 PRO C1160 -36.556 -10.694 -32.130 0.00 0.00 0.049 H -ATOM 3272 HD3 PRO C1160 -35.607 -10.762 -30.643 0.00 0.00 0.049 H -ATOM 3273 N GLU C1161 -40.161 -7.488 -30.480 0.00 0.00 -0.343 N -ATOM 3274 CA GLU C1161 -41.565 -7.163 -30.728 0.00 0.00 0.108 C -ATOM 3275 C GLU C1161 -41.708 -5.902 -31.609 0.00 0.00 0.242 C -ATOM 3276 O GLU C1161 -40.713 -5.381 -32.116 0.00 0.00 -0.273 OA -ATOM 3277 CB GLU C1161 -42.255 -7.038 -29.349 0.00 0.00 -0.018 C -ATOM 3278 CG GLU C1161 -41.794 -5.840 -28.490 0.00 0.00 -0.011 C -ATOM 3279 CD GLU C1161 -42.369 -5.899 -27.077 0.00 0.00 0.041 C -ATOM 3280 OE1 GLU C1161 -41.890 -6.766 -26.311 0.00 0.00 -0.550 OA -ATOM 3281 OE2 GLU C1161 -43.262 -5.075 -26.785 0.00 0.00 -0.550 O -ATOM 3282 H GLU C1161 -39.760 -7.057 -29.660 0.00 0.00 0.164 HD -ATOM 3283 HA GLU C1161 -42.031 -7.991 -31.265 0.00 0.00 0.063 H -ATOM 3284 HB3 GLU C1161 -42.089 -7.965 -28.797 0.00 0.00 0.030 H -ATOM 3285 HB2 GLU C1161 -43.336 -6.983 -29.488 0.00 0.00 0.030 H -ATOM 3286 HG3 GLU C1161 -42.085 -4.897 -28.954 0.00 0.00 0.033 H -ATOM 3287 HG2 GLU C1161 -40.707 -5.820 -28.405 0.00 0.00 0.033 H -ATOM 3288 N NME C1161A -42.957 -5.442 -31.777 0.00 0.00 -0.357 N -ATOM 3289 CH3 NME C1161A -43.273 -4.247 -32.546 0.00 0.00 0.006 C -ATOM 3290 H NME C1161A -43.726 -5.918 -31.327 0.00 0.00 0.163 HD -ATOM 3291 HH31 NME C1161A -42.676 -4.182 -33.457 0.00 0.00 0.045 H -ATOM 3292 HH32 NME C1161A -44.325 -4.259 -32.831 0.00 0.00 0.045 H -ATOM 3293 HH33 NME C1161A -43.093 -3.352 -31.949 0.00 0.00 0.045 H -ATOM 3294 ZN ZN A2113 -34.307 -24.797 -27.897 0.00 0.00 2.000 Zn -ATOM 3295 O AHOH A3001 -17.099 -28.398 -7.119 0.00 0.00 -0.412 O -ATOM 3296 H1 AHOH A3001 -16.349 -28.008 -7.657 0.00 0.00 0.206 H -ATOM 3297 H2 AHOH A3001 -17.943 -28.371 -7.657 0.00 0.00 0.206 H -ATOM 3298 O HOH A3002 -14.746 -31.525 -3.577 0.00 0.00 -0.412 O -ATOM 3299 H1 HOH A3002 -15.540 -31.417 -2.978 0.00 0.00 0.206 H -ATOM 3300 H2 HOH A3002 -14.073 -32.118 -3.134 0.00 0.00 0.206 H -ATOM 3301 O HOH A3003 -15.412 -32.639 -6.367 0.00 0.00 -0.412 O -ATOM 3302 H1 HOH A3003 -16.036 -33.410 -6.242 0.00 0.00 0.206 H -ATOM 3303 H2 HOH A3003 -15.158 -32.267 -5.472 0.00 0.00 0.206 H -ATOM 3304 O HOH A3005 -15.982 -24.532 -0.529 0.00 0.00 -0.412 O -ATOM 3305 H1 HOH A3005 -16.450 -25.085 -1.221 0.00 0.00 0.206 H -ATOM 3306 H2 HOH A3005 -16.662 -24.000 -0.022 0.00 0.00 0.206 H -ATOM 3307 O HOH A3006 -18.742 -23.369 -0.385 0.00 0.00 -0.412 O -ATOM 3308 H1 HOH A3006 -18.798 -23.171 -1.365 0.00 0.00 0.206 H -ATOM 3309 H2 HOH A3006 -19.585 -23.818 -0.088 0.00 0.00 0.206 H -ATOM 3310 O HOH A3007 -29.296 -23.038 -5.312 0.00 0.00 -0.412 O -ATOM 3311 H1 HOH A3007 -28.415 -22.928 -4.849 0.00 0.00 0.206 H -ATOM 3312 H2 HOH A3007 -29.646 -22.136 -5.578 0.00 0.00 0.206 H -ATOM 3313 O HOH A3008 -30.304 -20.790 -2.780 0.00 0.00 -0.412 O -ATOM 3314 H1 HOH A3008 -31.165 -20.404 -2.449 0.00 0.00 0.206 H -ATOM 3315 H2 HOH A3008 -30.455 -21.734 -3.076 0.00 0.00 0.206 H -ATOM 3316 O HOH A3009 -28.896 -14.873 -1.319 0.00 0.00 -0.412 O -ATOM 3317 H1 HOH A3009 -29.214 -15.418 -2.098 0.00 0.00 0.206 H -ATOM 3318 H2 HOH A3009 -29.053 -15.381 -0.472 0.00 0.00 0.206 H -ATOM 3319 O HOH A3010 -31.660 -17.945 -1.538 0.00 0.00 -0.412 O -ATOM 3320 H1 HOH A3010 -31.033 -17.493 -2.175 0.00 0.00 0.206 H -ATOM 3321 H2 HOH A3010 -31.162 -18.204 -0.709 0.00 0.00 0.206 H -ATOM 3322 O HOH A3011 -31.910 -23.107 -7.015 0.00 0.00 -0.412 O -ATOM 3323 H1 HOH A3011 -32.005 -22.156 -6.711 0.00 0.00 0.206 H -ATOM 3324 H2 HOH A3011 -31.221 -23.565 -6.451 0.00 0.00 0.206 H -ATOM 3325 O HOH A3012 -34.102 -18.006 -7.634 0.00 0.00 -0.412 O -ATOM 3326 H1 HOH A3012 -33.605 -18.819 -7.320 0.00 0.00 0.206 H -ATOM 3327 H2 HOH A3012 -34.661 -18.245 -8.432 0.00 0.00 0.206 H -ATOM 3328 O HOH A3013 -34.566 -19.892 -4.652 0.00 0.00 -0.412 O -ATOM 3329 H1 HOH A3013 -33.850 -19.996 -5.346 0.00 0.00 0.206 H -ATOM 3330 H2 HOH A3013 -34.466 -19.003 -4.201 0.00 0.00 0.206 H -ATOM 3331 O HOH A3014 -32.365 -15.759 -8.593 0.00 0.00 -0.412 O -ATOM 3332 H1 HOH A3014 -32.858 -16.543 -8.210 0.00 0.00 0.206 H -ATOM 3333 H2 HOH A3014 -32.163 -15.105 -7.861 0.00 0.00 0.206 H -ATOM 3334 O HOH A3015 -34.690 -15.946 -5.635 0.00 0.00 -0.412 O -ATOM 3335 H1 HOH A3015 -34.553 -16.640 -6.345 0.00 0.00 0.206 H -ATOM 3336 H2 HOH A3015 -34.472 -16.340 -4.740 0.00 0.00 0.206 H -ATOM 3337 O HOH A3016 -30.408 -12.348 -1.876 0.00 0.00 -0.412 O -ATOM 3338 H1 HOH A3016 -29.822 -13.130 -1.654 0.00 0.00 0.206 H -ATOM 3339 H2 HOH A3016 -29.835 -11.567 -2.139 0.00 0.00 0.206 H -ATOM 3340 O HOH A3017 -35.593 -7.519 -9.992 0.00 0.00 -0.412 O -ATOM 3341 H1 HOH A3017 -34.848 -7.234 -10.598 0.00 0.00 0.206 H -ATOM 3342 H2 HOH A3017 -35.244 -7.618 -9.059 0.00 0.00 0.206 H -ATOM 3343 O HOH A3018 -32.767 -3.407 -3.050 0.00 0.00 -0.412 O -ATOM 3344 H1 HOH A3018 -33.013 -4.366 -3.201 0.00 0.00 0.206 H -ATOM 3345 H2 HOH A3018 -31.867 -3.360 -2.616 0.00 0.00 0.206 H -ATOM 3346 O HOH A3019 -35.573 -3.578 -4.416 0.00 0.00 -0.412 O -ATOM 3347 H1 HOH A3019 -34.750 -3.270 -3.935 0.00 0.00 0.206 H -ATOM 3348 H2 HOH A3019 -36.091 -4.197 -3.825 0.00 0.00 0.206 H -ATOM 3349 O HOH A3020 -30.289 -5.581 -1.045 0.00 0.00 -0.412 O -ATOM 3350 H1 HOH A3020 -29.827 -6.449 -1.238 0.00 0.00 0.206 H -ATOM 3351 H2 HOH A3020 -31.051 -5.742 -0.418 0.00 0.00 0.206 H -ATOM 3352 O HOH A3021 -26.885 -7.661 -0.575 0.00 0.00 -0.412 O -ATOM 3353 H1 HOH A3021 -27.589 -7.719 -1.289 0.00 0.00 0.206 H -ATOM 3354 H2 HOH A3021 -26.760 -8.564 -0.163 0.00 0.00 0.206 H -ATOM 3355 O HOH A3022 -26.377 -10.852 -1.385 0.00 0.00 -0.412 O -ATOM 3356 H1 HOH A3022 -25.612 -10.488 -1.924 0.00 0.00 0.206 H -ATOM 3357 H2 HOH A3022 -27.241 -10.615 -1.837 0.00 0.00 0.206 H -ATOM 3358 O HOH A3023 -28.550 -2.269 -7.423 0.00 0.00 -0.412 O -ATOM 3359 H1 HOH A3023 -28.275 -3.211 -7.221 0.00 0.00 0.206 H -ATOM 3360 H2 HOH A3023 -28.130 -1.650 -6.759 0.00 0.00 0.206 H -ATOM 3361 O HOH A3024 -23.032 -4.906 0.480 0.00 0.00 -0.412 O -ATOM 3362 H1 HOH A3024 -23.175 -5.694 -0.121 0.00 0.00 0.206 H -ATOM 3363 H2 HOH A3024 -22.219 -5.060 1.042 0.00 0.00 0.206 H -ATOM 3364 O HOH A3025 -24.123 -7.210 -1.554 0.00 0.00 -0.412 O -ATOM 3365 H1 HOH A3025 -23.970 -8.035 -2.103 0.00 0.00 0.206 H -ATOM 3366 H2 HOH A3025 -25.049 -7.237 -1.173 0.00 0.00 0.206 H -ATOM 3367 O HOH A3026 -28.834 -1.740 -10.366 0.00 0.00 -0.412 O -ATOM 3368 H1 HOH A3026 -29.699 -1.700 -10.869 0.00 0.00 0.206 H -ATOM 3369 H2 HOH A3026 -29.018 -1.910 -9.395 0.00 0.00 0.206 H -ATOM 3370 O HOH A3027 -31.823 -4.322 -12.631 0.00 0.00 -0.412 O -ATOM 3371 H1 HOH A3027 -30.901 -4.644 -12.404 0.00 0.00 0.206 H -ATOM 3372 H2 HOH A3027 -31.880 -3.338 -12.454 0.00 0.00 0.206 H -ATOM 3373 O HOH A3028 -24.431 -2.508 -12.818 0.00 0.00 -0.412 O -ATOM 3374 H1 HOH A3028 -24.707 -3.467 -12.722 0.00 0.00 0.206 H -ATOM 3375 H2 HOH A3028 -24.952 -1.946 -12.172 0.00 0.00 0.206 H -ATOM 3376 O HOH A3029 -33.306 -6.732 -11.672 0.00 0.00 -0.412 O -ATOM 3377 H1 HOH A3029 -32.902 -5.896 -12.050 0.00 0.00 0.206 H -ATOM 3378 H2 HOH A3029 -33.230 -7.471 -12.346 0.00 0.00 0.206 H -ATOM 3379 O HOH A3030 -35.617 -10.158 -13.298 0.00 0.00 -0.412 O -ATOM 3380 H1 HOH A3030 -34.777 -9.629 -13.445 0.00 0.00 0.206 H -ATOM 3381 H2 HOH A3030 -35.419 -10.937 -12.703 0.00 0.00 0.206 H -ATOM 3382 O HOH A3031 -34.192 -5.600 -16.595 0.00 0.00 -0.412 O -ATOM 3383 H1 HOH A3031 -34.060 -6.522 -16.221 0.00 0.00 0.206 H -ATOM 3384 H2 HOH A3031 -33.471 -4.996 -16.248 0.00 0.00 0.206 H -ATOM 3385 O HOH A3032 -35.332 -9.951 -17.078 0.00 0.00 -0.412 O -ATOM 3386 H1 HOH A3032 -34.787 -9.333 -16.504 0.00 0.00 0.206 H -ATOM 3387 H2 HOH A3032 -36.183 -9.495 -17.341 0.00 0.00 0.206 H -ATOM 3388 O HOH A3033 -31.934 -3.945 -15.593 0.00 0.00 -0.412 O -ATOM 3389 H1 HOH A3033 -31.460 -3.064 -15.675 0.00 0.00 0.206 H -ATOM 3390 H2 HOH A3033 -31.948 -4.223 -14.631 0.00 0.00 0.206 H -ATOM 3391 O HOH A3034 -24.439 -1.432 -15.567 0.00 0.00 -0.412 O -ATOM 3392 H1 HOH A3034 -24.520 -1.715 -14.609 0.00 0.00 0.206 H -ATOM 3393 H2 HOH A3034 -23.696 -1.948 -16.002 0.00 0.00 0.206 H -ATOM 3394 O HOH A3035 -22.837 -1.160 -18.747 0.00 0.00 -0.412 O -ATOM 3395 H1 HOH A3035 -22.481 -1.732 -18.004 0.00 0.00 0.206 H -ATOM 3396 H2 HOH A3035 -23.834 -1.252 -18.783 0.00 0.00 0.206 H -ATOM 3397 O HOH A3036 -20.554 -1.075 -15.108 0.00 0.00 -0.412 O -ATOM 3398 H1 HOH A3036 -21.074 -1.762 -15.622 0.00 0.00 0.206 H -ATOM 3399 H2 HOH A3036 -21.143 -0.290 -14.918 0.00 0.00 0.206 H -ATOM 3400 O HOH A3037 -18.536 -5.325 -18.750 0.00 0.00 -0.412 O -ATOM 3401 H1 HOH A3037 -18.877 -5.682 -19.621 0.00 0.00 0.206 H -ATOM 3402 H2 HOH A3037 -19.277 -4.836 -18.281 0.00 0.00 0.206 H -ATOM 3403 O HOH A3038 -19.799 -2.031 -19.499 0.00 0.00 -0.412 O -ATOM 3404 H1 HOH A3038 -20.583 -1.411 -19.543 0.00 0.00 0.206 H -ATOM 3405 H2 HOH A3038 -19.983 -2.749 -18.824 0.00 0.00 0.206 H -ATOM 3406 O HOH A3039 -18.710 -4.915 -15.440 0.00 0.00 -0.412 O -ATOM 3407 H1 HOH A3039 -18.232 -5.748 -15.727 0.00 0.00 0.206 H -ATOM 3408 H2 HOH A3039 -19.381 -4.659 -16.140 0.00 0.00 0.206 H -ATOM 3409 O HOH A3040 -31.181 -4.844 -23.143 0.00 0.00 -0.412 O -ATOM 3410 H1 HOH A3040 -30.220 -4.779 -22.866 0.00 0.00 0.206 H -ATOM 3411 H2 HOH A3040 -31.233 -5.152 -24.094 0.00 0.00 0.206 H -ATOM 3412 O HOH A3041 -35.822 -7.295 -20.644 0.00 0.00 -0.412 O -ATOM 3413 H1 HOH A3041 -35.336 -6.529 -20.218 0.00 0.00 0.206 H -ATOM 3414 H2 HOH A3041 -35.207 -8.084 -20.710 0.00 0.00 0.206 H -ATOM 3415 O HOH A3042 -28.282 -2.542 -24.553 0.00 0.00 -0.412 O -ATOM 3416 H1 HOH A3042 -28.100 -1.622 -24.200 0.00 0.00 0.206 H -ATOM 3417 H2 HOH A3042 -27.504 -2.845 -25.107 0.00 0.00 0.206 H -ATOM 3418 O HOH A3043 -27.417 0.140 -23.407 0.00 0.00 -0.412 O -ATOM 3419 H1 HOH A3043 -26.641 -0.382 -23.049 0.00 0.00 0.206 H -ATOM 3420 H2 HOH A3043 -27.385 1.073 -23.047 0.00 0.00 0.206 H -ATOM 3421 O HOH A3044 -27.906 -9.101 -30.055 0.00 0.00 -0.412 O -ATOM 3422 H1 HOH A3044 -28.857 -8.968 -29.771 0.00 0.00 0.206 H -ATOM 3423 H2 HOH A3044 -27.398 -8.247 -29.926 0.00 0.00 0.206 H -ATOM 3424 O HOH A3045 -17.827 -6.123 -33.544 0.00 0.00 -0.412 O -ATOM 3425 H1 HOH A3045 -17.572 -5.943 -32.594 0.00 0.00 0.206 H -ATOM 3426 H2 HOH A3045 -17.000 -6.272 -34.087 0.00 0.00 0.206 H -ATOM 3427 O HOH A3046 -17.074 -6.933 -28.621 0.00 0.00 -0.412 O -ATOM 3428 H1 HOH A3046 -16.588 -6.116 -28.304 0.00 0.00 0.206 H -ATOM 3429 H2 HOH A3046 -16.408 -7.652 -28.836 0.00 0.00 0.206 H -ATOM 3430 O HOH A3047 -25.539 -2.090 -31.382 0.00 0.00 -0.412 O -ATOM 3431 H1 HOH A3047 -25.860 -1.645 -32.222 0.00 0.00 0.206 H -ATOM 3432 H2 HOH A3047 -26.133 -1.825 -30.621 0.00 0.00 0.206 H -ATOM 3433 O HOH A3048 -28.680 -3.436 -29.442 0.00 0.00 -0.412 O -ATOM 3434 H1 HOH A3048 -28.886 -4.345 -29.811 0.00 0.00 0.206 H -ATOM 3435 H2 HOH A3048 -29.128 -3.331 -28.551 0.00 0.00 0.206 H -ATOM 3436 O HOH A3049 -22.786 -3.103 -32.625 0.00 0.00 -0.412 O -ATOM 3437 H1 HOH A3049 -23.253 -3.979 -32.759 0.00 0.00 0.206 H -ATOM 3438 H2 HOH A3049 -23.431 -2.441 -32.241 0.00 0.00 0.206 H -ATOM 3439 O HOH A3050 -26.546 -0.775 -33.820 0.00 0.00 -0.412 O -ATOM 3440 H1 HOH A3050 -27.080 -1.518 -34.235 0.00 0.00 0.206 H -ATOM 3441 H2 HOH A3050 -26.863 0.102 -34.181 0.00 0.00 0.206 H -ATOM 3442 O HOH A3051 -26.442 -6.298 -37.468 0.00 0.00 -0.412 O -ATOM 3443 H1 HOH A3051 -25.843 -6.929 -36.972 0.00 0.00 0.206 H -ATOM 3444 H2 HOH A3051 -26.915 -5.704 -36.816 0.00 0.00 0.206 H -ATOM 3445 O HOH A3052 -21.955 -6.637 -40.825 0.00 0.00 -0.412 O -ATOM 3446 H1 HOH A3052 -22.157 -7.586 -40.576 0.00 0.00 0.206 H -ATOM 3447 H2 HOH A3052 -22.699 -6.274 -41.385 0.00 0.00 0.206 H -ATOM 3448 O HOH A3056 -20.379 -11.497 -35.092 0.00 0.00 -0.412 O -ATOM 3449 H1 HOH A3056 -20.113 -11.010 -35.924 0.00 0.00 0.206 H -ATOM 3450 H2 HOH A3056 -20.272 -12.483 -35.237 0.00 0.00 0.206 H -ATOM 3451 O HOH A3057 -27.477 -14.231 -40.431 0.00 0.00 -0.412 O -ATOM 3452 H1 HOH A3057 -26.729 -13.664 -40.083 0.00 0.00 0.206 H -ATOM 3453 H2 HOH A3057 -28.223 -14.246 -39.761 0.00 0.00 0.206 H -ATOM 3454 O HOH A3058 -24.866 -13.222 -32.972 0.00 0.00 -0.412 O -ATOM 3455 H1 HOH A3058 -25.430 -12.482 -32.602 0.00 0.00 0.206 H -ATOM 3456 H2 HOH A3058 -24.576 -12.985 -33.902 0.00 0.00 0.206 H -ATOM 3457 O HOH A3059 -20.202 -14.492 -35.544 0.00 0.00 -0.412 O -ATOM 3458 H1 HOH A3059 -19.817 -15.008 -34.776 0.00 0.00 0.206 H -ATOM 3459 H2 HOH A3059 -21.204 -14.508 -35.487 0.00 0.00 0.206 H -ATOM 3460 O HOH A3060 -29.497 -14.121 -38.279 0.00 0.00 -0.412 O -ATOM 3461 H1 HOH A3060 -30.047 -14.671 -37.645 0.00 0.00 0.206 H -ATOM 3462 H2 HOH A3060 -29.430 -13.185 -37.931 0.00 0.00 0.206 H -ATOM 3463 O HOH A3061 -30.790 -10.057 -39.092 0.00 0.00 -0.412 O -ATOM 3464 H1 HOH A3061 -30.189 -10.563 -38.471 0.00 0.00 0.206 H -ATOM 3465 H2 HOH A3061 -31.074 -9.202 -38.657 0.00 0.00 0.206 H -ATOM 3466 O HOH A3062 -29.313 -17.693 -35.141 0.00 0.00 -0.412 O -ATOM 3467 H1 HOH A3062 -28.996 -18.304 -35.869 0.00 0.00 0.206 H -ATOM 3468 H2 HOH A3062 -28.605 -17.012 -34.948 0.00 0.00 0.206 H -ATOM 3469 O HOH A3063 -31.036 -15.603 -36.287 0.00 0.00 -0.412 O -ATOM 3470 H1 HOH A3063 -31.976 -15.931 -36.413 0.00 0.00 0.206 H -ATOM 3471 H2 HOH A3063 -30.501 -16.305 -35.813 0.00 0.00 0.206 H -ATOM 3472 O HOH A3064 -28.831 -19.470 -37.460 0.00 0.00 -0.412 O -ATOM 3473 H1 HOH A3064 -29.426 -19.071 -38.159 0.00 0.00 0.206 H -ATOM 3474 H2 HOH A3064 -29.298 -20.245 -37.028 0.00 0.00 0.206 H -ATOM 3475 O HOH A3067 -26.862 -19.405 -29.910 0.00 0.00 -0.412 O -ATOM 3476 H1 HOH A3067 -26.214 -19.076 -30.601 0.00 0.00 0.206 H -ATOM 3477 H2 HOH A3067 -27.795 -19.196 -30.208 0.00 0.00 0.206 H -ATOM 3478 O HOH A3068 -26.728 -11.161 -31.755 0.00 0.00 -0.412 O -ATOM 3479 H1 HOH A3068 -27.051 -10.375 -31.222 0.00 0.00 0.206 H -ATOM 3480 H2 HOH A3068 -27.501 -11.774 -31.935 0.00 0.00 0.206 H -ATOM 3481 O HOH A3069 -29.408 -6.115 -30.493 0.00 0.00 -0.412 O -ATOM 3482 H1 HOH A3069 -29.926 -6.914 -30.180 0.00 0.00 0.206 H -ATOM 3483 H2 HOH A3069 -29.862 -5.720 -31.293 0.00 0.00 0.206 H -ATOM 3484 O HOH A3070 -32.174 -7.688 -32.530 0.00 0.00 -0.412 O -ATOM 3485 H1 HOH A3070 -32.823 -7.496 -33.268 0.00 0.00 0.206 H -ATOM 3486 H2 HOH A3070 -32.184 -6.930 -31.875 0.00 0.00 0.206 H -ATOM 3487 O HOH A3071 -35.701 -8.506 -27.731 0.00 0.00 -0.412 O -ATOM 3488 H1 HOH A3071 -36.637 -8.273 -27.465 0.00 0.00 0.206 H -ATOM 3489 H2 HOH A3071 -35.638 -9.493 -27.894 0.00 0.00 0.206 H -ATOM 3490 O HOH A3072 -30.034 -3.502 -26.783 0.00 0.00 -0.412 O -ATOM 3491 H1 HOH A3072 -29.541 -3.117 -26.001 0.00 0.00 0.206 H -ATOM 3492 H2 HOH A3072 -30.638 -4.235 -26.465 0.00 0.00 0.206 H -ATOM 3493 O HOH A3073 -37.593 -9.370 -19.260 0.00 0.00 -0.412 O -ATOM 3494 H1 HOH A3073 -37.026 -8.596 -19.548 0.00 0.00 0.206 H -ATOM 3495 H2 HOH A3073 -37.785 -9.951 -20.052 0.00 0.00 0.206 H -ATOM 3496 O HOH A3074 -39.322 -8.174 -26.877 0.00 0.00 -0.412 O -ATOM 3497 H1 HOH A3074 -39.379 -8.959 -27.497 0.00 0.00 0.206 H -ATOM 3498 H2 HOH A3074 -40.234 -7.772 -26.768 0.00 0.00 0.206 H -ATOM 3499 O HOH A3075 -37.392 -11.706 -15.184 0.00 0.00 -0.412 O -ATOM 3500 H1 HOH A3075 -37.125 -10.951 -14.582 0.00 0.00 0.206 H -ATOM 3501 H2 HOH A3075 -36.574 -12.219 -15.450 0.00 0.00 0.206 H -ATOM 3502 O HOH A3076 -39.226 -14.775 -22.093 0.00 0.00 -0.412 O -ATOM 3503 H1 HOH A3076 -38.786 -15.165 -22.904 0.00 0.00 0.206 H -ATOM 3504 H2 HOH A3076 -38.893 -15.246 -21.274 0.00 0.00 0.206 H -ATOM 3505 O HOH A3077 -39.899 -17.858 -19.157 0.00 0.00 -0.412 O -ATOM 3506 H1 HOH A3077 -39.172 -17.495 -19.742 0.00 0.00 0.206 H -ATOM 3507 H2 HOH A3077 -39.732 -18.831 -18.985 0.00 0.00 0.206 H -ATOM 3508 O HOH A3078 -40.400 -16.178 -16.727 0.00 0.00 -0.412 O -ATOM 3509 H1 HOH A3078 -40.180 -16.655 -17.580 0.00 0.00 0.206 H -ATOM 3510 H2 HOH A3078 -39.587 -15.698 -16.393 0.00 0.00 0.206 H -ATOM 3511 O HOH A3079 -35.850 -13.199 -12.236 0.00 0.00 -0.412 O -ATOM 3512 H1 HOH A3079 -35.431 -13.831 -11.581 0.00 0.00 0.206 H -ATOM 3513 H2 HOH A3079 -35.588 -13.461 -13.167 0.00 0.00 0.206 H -ATOM 3514 O HOH A3080 -38.284 -14.622 -15.251 0.00 0.00 -0.412 O -ATOM 3515 H1 HOH A3080 -38.096 -13.652 -15.089 0.00 0.00 0.206 H -ATOM 3516 H2 HOH A3080 -38.188 -15.127 -14.390 0.00 0.00 0.206 H -ATOM 3517 O HOH A3081 -37.814 -16.058 -12.661 0.00 0.00 -0.412 O -ATOM 3518 H1 HOH A3081 -36.855 -16.326 -12.554 0.00 0.00 0.206 H -ATOM 3519 H2 HOH A3081 -38.111 -15.554 -11.850 0.00 0.00 0.206 H -ATOM 3520 O HOH A3082 -35.597 -18.439 -10.145 0.00 0.00 -0.412 O -ATOM 3521 H1 HOH A3082 -35.339 -17.864 -10.925 0.00 0.00 0.206 H -ATOM 3522 H2 HOH A3082 -36.511 -18.814 -10.298 0.00 0.00 0.206 H -ATOM 3523 O HOH A3083 -34.898 -14.929 -10.000 0.00 0.00 -0.412 O -ATOM 3524 H1 HOH A3083 -35.597 -15.199 -9.337 0.00 0.00 0.206 H -ATOM 3525 H2 HOH A3083 -33.990 -15.075 -9.602 0.00 0.00 0.206 H -ATOM 3526 O HOH A3084 -28.678 -19.156 -12.106 0.00 0.00 -0.412 O -ATOM 3527 H1 HOH A3084 -28.905 -19.543 -13.002 0.00 0.00 0.206 H -ATOM 3528 H2 HOH A3084 -28.051 -19.771 -11.627 0.00 0.00 0.206 H -ATOM 3529 O HOH A3085 -35.863 -22.256 -8.812 0.00 0.00 -0.412 O -ATOM 3530 H1 HOH A3085 -35.932 -21.905 -7.878 0.00 0.00 0.206 H -ATOM 3531 H2 HOH A3085 -36.762 -22.575 -9.115 0.00 0.00 0.206 H -ATOM 3532 O HOH A3086 -28.600 -23.063 -12.465 0.00 0.00 -0.412 O -ATOM 3533 H1 HOH A3086 -28.151 -22.530 -11.746 0.00 0.00 0.206 H -ATOM 3534 H2 HOH A3086 -28.199 -22.829 -13.352 0.00 0.00 0.206 H -ATOM 3535 O HOH A3087 -17.840 -14.040 -4.108 0.00 0.00 -0.412 O -ATOM 3536 H1 HOH A3087 -17.238 -13.245 -4.016 0.00 0.00 0.206 H -ATOM 3537 H2 HOH A3087 -18.021 -14.208 -5.078 0.00 0.00 0.206 H -ATOM 3538 O HOH A3088 -16.022 -18.736 -1.992 0.00 0.00 -0.412 O -ATOM 3539 H1 HOH A3088 -16.040 -17.784 -2.304 0.00 0.00 0.206 H -ATOM 3540 H2 HOH A3088 -15.250 -19.209 -2.419 0.00 0.00 0.206 H -ATOM 3541 O HOH A3089 -13.300 -25.516 -1.200 0.00 0.00 -0.412 O -ATOM 3542 H1 HOH A3089 -14.206 -25.241 -0.871 0.00 0.00 0.206 H -ATOM 3543 H2 HOH A3089 -13.369 -26.400 -1.664 0.00 0.00 0.206 H -ATOM 3544 O HOH A3090 -13.692 -28.184 -5.147 0.00 0.00 -0.412 O -ATOM 3545 H1 HOH A3090 -13.390 -28.142 -4.192 0.00 0.00 0.206 H -ATOM 3546 H2 HOH A3090 -14.039 -29.102 -5.343 0.00 0.00 0.206 H -ATOM 3547 O HOH A3091 -6.416 -22.887 -3.200 0.00 0.00 -0.412 O -ATOM 3548 H1 HOH A3091 -7.253 -22.650 -3.697 0.00 0.00 0.206 H -ATOM 3549 H2 HOH A3091 -6.652 -23.156 -2.264 0.00 0.00 0.206 H -ATOM 3550 O HOH A3092 -9.434 -27.965 -9.519 0.00 0.00 -0.412 O -ATOM 3551 H1 HOH A3092 -10.180 -27.432 -9.925 0.00 0.00 0.206 H -ATOM 3552 H2 HOH A3092 -9.230 -28.749 -10.106 0.00 0.00 0.206 H -ATOM 3553 O HOH A3093 -12.390 -27.126 -7.562 0.00 0.00 -0.412 O -ATOM 3554 H1 HOH A3093 -13.104 -26.932 -8.236 0.00 0.00 0.206 H -ATOM 3555 H2 HOH A3093 -12.817 -27.456 -6.717 0.00 0.00 0.206 H -ATOM 3556 O HOH A3094 -9.248 -19.743 -9.672 0.00 0.00 -0.412 O -ATOM 3557 H1 HOH A3094 -9.563 -19.613 -8.730 0.00 0.00 0.206 H -ATOM 3558 H2 HOH A3094 -9.277 -18.868 -10.157 0.00 0.00 0.206 H -ATOM 3559 O HOH A3095 -10.528 -12.559 -0.031 0.00 0.00 -0.412 O -ATOM 3560 H1 HOH A3095 -10.604 -11.759 -0.630 0.00 0.00 0.206 H -ATOM 3561 H2 HOH A3095 -10.809 -12.306 0.896 0.00 0.00 0.206 H -ATOM 3562 O HOH A3096 -4.122 -20.970 -3.054 0.00 0.00 -0.412 O -ATOM 3563 H1 HOH A3096 -4.825 -21.683 -3.039 0.00 0.00 0.206 H -ATOM 3564 H2 HOH A3096 -4.561 -20.071 -3.074 0.00 0.00 0.206 H -ATOM 3565 O HOH A3097 -4.738 -17.004 -1.178 0.00 0.00 -0.412 O -ATOM 3566 H1 HOH A3097 -5.147 -17.319 -2.036 0.00 0.00 0.206 H -ATOM 3567 H2 HOH A3097 -5.188 -17.459 -0.409 0.00 0.00 0.206 H -ATOM 3568 O HOH A3098 -7.376 -23.509 -0.460 0.00 0.00 -0.412 O -ATOM 3569 H1 HOH A3098 -7.678 -22.674 0.010 0.00 0.00 0.206 H -ATOM 3570 H2 HOH A3098 -7.007 -24.150 0.213 0.00 0.00 0.206 H -ATOM 3571 O HOH A3099 -2.921 -19.649 -7.849 0.00 0.00 -0.412 O -ATOM 3572 H1 HOH A3099 -3.754 -19.120 -7.679 0.00 0.00 0.206 H -ATOM 3573 H2 HOH A3099 -2.766 -20.280 -7.086 0.00 0.00 0.206 H -ATOM 3574 O HOH A3100 -8.872 -26.094 -12.789 0.00 0.00 -0.412 O -ATOM 3575 H1 HOH A3100 -8.853 -26.402 -13.744 0.00 0.00 0.206 H -ATOM 3576 H2 HOH A3100 -9.824 -25.992 -12.494 0.00 0.00 0.206 H -ATOM 3577 O HOH A3101 -8.961 -22.258 -11.645 0.00 0.00 -0.412 O -ATOM 3578 H1 HOH A3101 -8.834 -21.276 -11.502 0.00 0.00 0.206 H -ATOM 3579 H2 HOH A3101 -8.869 -22.467 -12.621 0.00 0.00 0.206 H -ATOM 3580 O HOH A3102 -5.830 -13.643 -10.276 0.00 0.00 -0.412 O -ATOM 3581 H1 HOH A3102 -6.187 -12.708 -10.254 0.00 0.00 0.206 H -ATOM 3582 H2 HOH A3102 -6.083 -14.117 -9.431 0.00 0.00 0.206 H -ATOM 3583 O HOH A3103 -5.111 -10.768 -3.852 0.00 0.00 -0.412 O -ATOM 3584 H1 HOH A3103 -5.391 -10.743 -2.891 0.00 0.00 0.206 H -ATOM 3585 H2 HOH A3103 -4.694 -11.657 -4.052 0.00 0.00 0.206 H -ATOM 3586 O HOH A3104 -3.587 -14.232 -1.421 0.00 0.00 -0.412 O -ATOM 3587 H1 HOH A3104 -4.079 -15.091 -1.264 0.00 0.00 0.206 H -ATOM 3588 H2 HOH A3104 -3.814 -13.883 -2.331 0.00 0.00 0.206 H -ATOM 3589 O HOH A3105 -8.591 -14.962 -0.059 0.00 0.00 -0.412 O -ATOM 3590 H1 HOH A3105 -9.226 -14.189 -0.003 0.00 0.00 0.206 H -ATOM 3591 H2 HOH A3105 -8.735 -15.568 0.724 0.00 0.00 0.206 H -ATOM 3592 O HOH A3106 0.456 -14.965 -3.555 0.00 0.00 -0.412 O -ATOM 3593 H1 HOH A3106 -0.029 -15.264 -2.731 0.00 0.00 0.206 H -ATOM 3594 H2 HOH A3106 -0.139 -15.078 -4.353 0.00 0.00 0.206 H -ATOM 3595 O HOH A3107 -0.418 -18.632 -9.096 0.00 0.00 -0.412 O -ATOM 3596 H1 HOH A3107 -1.158 -18.900 -8.475 0.00 0.00 0.206 H -ATOM 3597 H2 HOH A3107 0.173 -17.962 -8.643 0.00 0.00 0.206 H -ATOM 3598 O HOH A3108 4.270 -14.726 -11.339 0.00 0.00 -0.412 O -ATOM 3599 H1 HOH A3108 4.726 -13.833 -11.382 0.00 0.00 0.206 H -ATOM 3600 H2 HOH A3108 4.557 -15.204 -10.509 0.00 0.00 0.206 H -ATOM 3601 O HOH A3109 3.469 -13.515 -14.223 0.00 0.00 -0.412 O -ATOM 3602 H1 HOH A3109 4.135 -14.203 -13.931 0.00 0.00 0.206 H -ATOM 3603 H2 HOH A3109 3.614 -12.673 -13.694 0.00 0.00 0.206 H -ATOM 3604 O HOH A3110 2.072 -16.887 -15.894 0.00 0.00 -0.412 O -ATOM 3605 H1 HOH A3110 1.534 -16.377 -16.568 0.00 0.00 0.206 H -ATOM 3606 H2 HOH A3110 3.032 -16.899 -16.177 0.00 0.00 0.206 H -ATOM 3607 O HOH A3111 -10.720 -6.467 -5.352 0.00 0.00 -0.412 O -ATOM 3608 H1 HOH A3111 -10.948 -6.844 -6.254 0.00 0.00 0.206 H -ATOM 3609 H2 HOH A3111 -10.555 -5.484 -5.436 0.00 0.00 0.206 H -ATOM 3610 O HOH A3112 -12.417 -9.029 -4.191 0.00 0.00 -0.412 O -ATOM 3611 H1 HOH A3112 -13.378 -9.226 -4.392 0.00 0.00 0.206 H -ATOM 3612 H2 HOH A3112 -12.211 -8.083 -4.446 0.00 0.00 0.206 H -ATOM 3613 O HOH A3113 -6.607 -10.942 -1.263 0.00 0.00 -0.412 O -ATOM 3614 H1 HOH A3113 -6.734 -11.818 -0.796 0.00 0.00 0.206 H -ATOM 3615 H2 HOH A3113 -6.471 -10.221 -0.582 0.00 0.00 0.206 H -ATOM 3616 O HOH A3114 -10.938 -9.889 -1.650 0.00 0.00 -0.412 O -ATOM 3617 H1 HOH A3114 -11.613 -9.651 -2.352 0.00 0.00 0.206 H -ATOM 3618 H2 HOH A3114 -10.974 -9.212 -0.914 0.00 0.00 0.206 H -ATOM 3619 O HOH A3115 5.185 -11.986 -8.117 0.00 0.00 -0.412 O -ATOM 3620 H1 HOH A3115 4.908 -12.079 -7.157 0.00 0.00 0.206 H -ATOM 3621 H2 HOH A3115 4.385 -11.759 -8.673 0.00 0.00 0.206 H -ATOM 3622 O HOH A3116 2.469 -18.416 -10.733 0.00 0.00 -0.412 O -ATOM 3623 H1 HOH A3116 3.201 -18.927 -10.282 0.00 0.00 0.206 H -ATOM 3624 H2 HOH A3116 2.126 -17.709 -10.108 0.00 0.00 0.206 H -ATOM 3625 O HOH A3117 3.513 -16.736 -4.645 0.00 0.00 -0.412 O -ATOM 3626 H1 HOH A3117 3.143 -16.876 -5.567 0.00 0.00 0.206 H -ATOM 3627 H2 HOH A3117 3.464 -15.763 -4.412 0.00 0.00 0.206 H -ATOM 3628 O HOH A3118 0.128 -5.835 -4.203 0.00 0.00 -0.412 O -ATOM 3629 H1 HOH A3118 -0.554 -5.990 -4.920 0.00 0.00 0.206 H -ATOM 3630 H2 HOH A3118 0.023 -6.529 -3.487 0.00 0.00 0.206 H -ATOM 3631 O HOH A3119 -3.863 -8.237 -4.892 0.00 0.00 -0.412 O -ATOM 3632 H1 HOH A3119 -4.232 -9.068 -4.473 0.00 0.00 0.206 H -ATOM 3633 H2 HOH A3119 -3.316 -8.483 -5.693 0.00 0.00 0.206 H -ATOM 3634 O HOH A3120 6.720 -9.378 -7.623 0.00 0.00 -0.412 O -ATOM 3635 H1 HOH A3120 6.249 -8.642 -8.111 0.00 0.00 0.206 H -ATOM 3636 H2 HOH A3120 6.328 -10.260 -7.892 0.00 0.00 0.206 H -ATOM 3637 O HOH A3121 4.616 -3.754 -6.760 0.00 0.00 -0.412 O -ATOM 3638 H1 HOH A3121 4.885 -4.596 -7.231 0.00 0.00 0.206 H -ATOM 3639 H2 HOH A3121 5.405 -3.377 -6.275 0.00 0.00 0.206 H -ATOM 3640 O HOH A3122 7.007 -9.305 -4.565 0.00 0.00 -0.412 O -ATOM 3641 H1 HOH A3122 6.085 -9.476 -4.208 0.00 0.00 0.206 H -ATOM 3642 H2 HOH A3122 6.988 -9.342 -5.566 0.00 0.00 0.206 H -ATOM 3643 O HOH A3123 4.427 -12.102 -5.349 0.00 0.00 -0.412 O -ATOM 3644 H1 HOH A3123 4.427 -11.250 -4.817 0.00 0.00 0.206 H -ATOM 3645 H2 HOH A3123 4.017 -12.833 -4.800 0.00 0.00 0.206 H -ATOM 3646 O HOH A3124 3.092 -13.842 -3.464 0.00 0.00 -0.412 O -ATOM 3647 H1 HOH A3124 2.153 -14.195 -3.473 0.00 0.00 0.206 H -ATOM 3648 H2 HOH A3124 3.248 -13.333 -2.617 0.00 0.00 0.206 H -ATOM 3649 O HOH A3125 0.369 -7.579 -1.755 0.00 0.00 -0.412 O -ATOM 3650 H1 HOH A3125 0.680 -6.954 -1.040 0.00 0.00 0.206 H -ATOM 3651 H2 HOH A3125 1.136 -8.158 -2.047 0.00 0.00 0.206 H -ATOM 3652 O HOH A3126 3.888 -4.673 -15.042 0.00 0.00 -0.412 O -ATOM 3653 H1 HOH A3126 4.184 -5.160 -14.218 0.00 0.00 0.206 H -ATOM 3654 H2 HOH A3126 3.063 -4.144 -14.836 0.00 0.00 0.206 H -ATOM 3655 O HOH A3127 7.393 -5.315 -11.819 0.00 0.00 -0.412 O -ATOM 3656 H1 HOH A3127 6.547 -5.533 -12.308 0.00 0.00 0.206 H -ATOM 3657 H2 HOH A3127 7.853 -6.167 -11.559 0.00 0.00 0.206 H -ATOM 3658 O HOH A3128 0.844 -1.465 -16.548 0.00 0.00 -0.412 O -ATOM 3659 H1 HOH A3128 1.042 -2.111 -15.808 0.00 0.00 0.206 H -ATOM 3660 H2 HOH A3128 0.236 -0.747 -16.207 0.00 0.00 0.206 H -ATOM 3661 O HOH A3129 -2.608 -2.267 -15.427 0.00 0.00 -0.412 O -ATOM 3662 H1 HOH A3129 -2.771 -3.168 -15.834 0.00 0.00 0.206 H -ATOM 3663 H2 HOH A3129 -3.169 -2.168 -14.604 0.00 0.00 0.206 H -ATOM 3664 O HOH A3130 5.954 -3.256 -10.195 0.00 0.00 -0.412 O -ATOM 3665 H1 HOH A3130 6.439 -3.970 -10.704 0.00 0.00 0.206 H -ATOM 3666 H2 HOH A3130 6.618 -2.615 -9.809 0.00 0.00 0.206 H -ATOM 3667 O HOH A3131 1.826 1.314 -5.491 0.00 0.00 -0.412 O -ATOM 3668 H1 HOH A3131 2.156 0.553 -4.930 0.00 0.00 0.206 H -ATOM 3669 H2 HOH A3131 1.464 0.957 -6.353 0.00 0.00 0.206 H -ATOM 3670 O HOH A3132 -1.133 0.297 -15.012 0.00 0.00 -0.412 O -ATOM 3671 H1 HOH A3132 -1.744 -0.493 -15.093 0.00 0.00 0.206 H -ATOM 3672 H2 HOH A3132 -0.879 0.424 -14.051 0.00 0.00 0.206 H -ATOM 3673 O HOH A3133 -5.266 -4.425 -6.887 0.00 0.00 -0.412 O -ATOM 3674 H1 HOH A3133 -4.811 -3.945 -6.134 0.00 0.00 0.206 H -ATOM 3675 H2 HOH A3133 -5.791 -5.193 -6.520 0.00 0.00 0.206 H -ATOM 3676 O HOH A3134 -3.897 -3.233 -4.508 0.00 0.00 -0.412 O -ATOM 3677 H1 HOH A3134 -3.242 -2.718 -5.064 0.00 0.00 0.206 H -ATOM 3678 H2 HOH A3134 -3.559 -3.295 -3.569 0.00 0.00 0.206 H -ATOM 3679 O HOH A3135 5.296 -1.674 -3.331 0.00 0.00 -0.412 O -ATOM 3680 H1 HOH A3135 4.358 -1.538 -3.656 0.00 0.00 0.206 H -ATOM 3681 H2 HOH A3135 5.842 -0.864 -3.545 0.00 0.00 0.206 H -ATOM 3682 O HOH A3136 -7.716 -3.526 -9.584 0.00 0.00 -0.412 O -ATOM 3683 H1 HOH A3136 -8.214 -2.665 -9.687 0.00 0.00 0.206 H -ATOM 3684 H2 HOH A3136 -7.573 -3.713 -8.611 0.00 0.00 0.206 H -ATOM 3685 O HOH A3137 -5.508 -2.105 -19.020 0.00 0.00 -0.412 O -ATOM 3686 H1 HOH A3137 -5.734 -2.260 -19.985 0.00 0.00 0.206 H -ATOM 3687 H2 HOH A3137 -5.768 -1.170 -18.765 0.00 0.00 0.206 H -ATOM 3688 O HOH A3138 -9.533 -2.277 -12.831 0.00 0.00 -0.412 O -ATOM 3689 H1 HOH A3138 -10.000 -3.090 -12.480 0.00 0.00 0.206 H -ATOM 3690 H2 HOH A3138 -10.057 -1.461 -12.586 0.00 0.00 0.206 H -ATOM 3691 O HOH A3139 -12.745 -5.036 -8.737 0.00 0.00 -0.412 O -ATOM 3692 H1 HOH A3139 -12.293 -5.872 -8.417 0.00 0.00 0.206 H -ATOM 3693 H2 HOH A3139 -12.408 -4.806 -9.650 0.00 0.00 0.206 H -ATOM 3694 O HOH A3140 -8.616 -1.333 -20.156 0.00 0.00 -0.412 O -ATOM 3695 H1 HOH A3140 -9.292 -1.090 -20.855 0.00 0.00 0.206 H -ATOM 3696 H2 HOH A3140 -7.816 -1.742 -20.600 0.00 0.00 0.206 H -ATOM 3697 O HOH A3141 -13.274 -3.980 -18.430 0.00 0.00 -0.412 O -ATOM 3698 H1 HOH A3141 -14.108 -4.239 -17.936 0.00 0.00 0.206 H -ATOM 3699 H2 HOH A3141 -13.517 -3.712 -19.366 0.00 0.00 0.206 H -ATOM 3700 O HOH A3142 -6.302 0.583 -18.082 0.00 0.00 -0.412 O -ATOM 3701 H1 HOH A3142 -7.028 1.116 -18.517 0.00 0.00 0.206 H -ATOM 3702 H2 HOH A3142 -5.716 1.193 -17.549 0.00 0.00 0.206 H -ATOM 3703 O HOH A3143 -15.172 -3.814 -14.309 0.00 0.00 -0.412 O -ATOM 3704 H1 HOH A3143 -14.423 -3.257 -13.949 0.00 0.00 0.206 H -ATOM 3705 H2 HOH A3143 -16.008 -3.262 -14.340 0.00 0.00 0.206 H -ATOM 3706 O HOH A3144 -15.810 -4.628 -17.215 0.00 0.00 -0.412 O -ATOM 3707 H1 HOH A3144 -16.703 -4.944 -17.541 0.00 0.00 0.206 H -ATOM 3708 H2 HOH A3144 -15.846 -4.496 -16.223 0.00 0.00 0.206 H -ATOM 3709 O HOH A3145 -14.508 -22.068 -21.772 0.00 0.00 -0.412 O -ATOM 3710 H1 HOH A3145 -13.537 -21.969 -22.000 0.00 0.00 0.206 H -ATOM 3711 H2 HOH A3145 -14.813 -21.262 -21.261 0.00 0.00 0.206 H -ATOM 3712 O HOH A3146 -22.151 -20.611 -20.892 0.00 0.00 -0.412 O -ATOM 3713 H1 HOH A3146 -23.036 -20.176 -20.708 0.00 0.00 0.206 H -ATOM 3714 H2 HOH A3146 -22.275 -21.601 -20.956 0.00 0.00 0.206 H -ATOM 3715 O HOH A3147 -23.418 -24.086 -22.014 0.00 0.00 -0.412 O -ATOM 3716 H1 HOH A3147 -23.690 -24.013 -22.975 0.00 0.00 0.206 H -ATOM 3717 H2 HOH A3147 -22.459 -23.812 -21.922 0.00 0.00 0.206 H -ATOM 3718 O HOH A3148 -21.878 -28.853 -23.912 0.00 0.00 -0.412 O -ATOM 3719 H1 HOH A3148 -21.309 -28.375 -23.240 0.00 0.00 0.206 H -ATOM 3720 H2 HOH A3148 -21.538 -29.785 -24.034 0.00 0.00 0.206 H -ATOM 3721 O HOH A3149 -21.394 -27.374 -19.361 0.00 0.00 -0.412 O -ATOM 3722 H1 HOH A3149 -22.333 -27.472 -19.023 0.00 0.00 0.206 H -ATOM 3723 H2 HOH A3149 -21.407 -27.266 -20.356 0.00 0.00 0.206 H -ATOM 3724 O HOH A3150 -19.158 -29.141 -18.620 0.00 0.00 -0.412 O -ATOM 3725 H1 HOH A3150 -19.925 -28.548 -18.876 0.00 0.00 0.206 H -ATOM 3726 H2 HOH A3150 -19.313 -30.059 -18.984 0.00 0.00 0.206 H -ATOM 3727 O AHOH A3151 -11.634 -20.453 -11.551 0.00 0.00 -0.412 O -ATOM 3728 H1 AHOH A3151 -11.300 -19.538 -11.783 0.00 0.00 0.206 H -ATOM 3729 H2 AHOH A3151 -11.079 -20.829 -10.808 0.00 0.00 0.206 H -ATOM 3730 O HOH A3152 -6.103 -23.327 -13.235 0.00 0.00 -0.412 O -ATOM 3731 H1 HOH A3152 -6.998 -23.474 -13.659 0.00 0.00 0.206 H -ATOM 3732 H2 HOH A3152 -5.419 -23.170 -13.949 0.00 0.00 0.206 H -ATOM 3733 O HOH A3153 -11.054 -26.028 -25.390 0.00 0.00 -0.412 O -ATOM 3734 H1 HOH A3153 -10.560 -25.156 -25.420 0.00 0.00 0.206 H -ATOM 3735 H2 HOH A3153 -11.220 -26.281 -24.435 0.00 0.00 0.206 H -ATOM 3736 O HOH A3154 -12.415 -29.216 -23.349 0.00 0.00 -0.412 O -ATOM 3737 H1 HOH A3154 -12.115 -28.291 -23.110 0.00 0.00 0.206 H -ATOM 3738 H2 HOH A3154 -13.333 -29.175 -23.744 0.00 0.00 0.206 H -ATOM 3739 O HOH A3155 -13.611 -29.418 -18.877 0.00 0.00 -0.412 O -ATOM 3740 H1 HOH A3155 -13.280 -28.945 -19.695 0.00 0.00 0.206 H -ATOM 3741 H2 HOH A3155 -14.346 -30.047 -19.133 0.00 0.00 0.206 H -ATOM 3742 O HOH A3156 -12.358 -19.304 -24.053 0.00 0.00 -0.412 O -ATOM 3743 H1 HOH A3156 -12.129 -20.108 -23.502 0.00 0.00 0.206 H -ATOM 3744 H2 HOH A3156 -13.053 -19.551 -24.729 0.00 0.00 0.206 H -ATOM 3745 O HOH A3157 -11.413 -24.316 -28.358 0.00 0.00 -0.412 O -ATOM 3746 H1 HOH A3157 -12.037 -25.099 -28.313 0.00 0.00 0.206 H -ATOM 3747 H2 HOH A3157 -11.120 -24.075 -27.432 0.00 0.00 0.206 H -ATOM 3748 O HOH A3158 -12.673 -20.737 -34.853 0.00 0.00 -0.412 O -ATOM 3749 H1 HOH A3158 -12.419 -20.650 -35.816 0.00 0.00 0.206 H -ATOM 3750 H2 HOH A3158 -12.537 -21.685 -34.558 0.00 0.00 0.206 H -ATOM 3751 O HOH A3159 -15.506 -17.039 -33.090 0.00 0.00 -0.412 O -ATOM 3752 H1 HOH A3159 -14.685 -17.612 -33.055 0.00 0.00 0.206 H -ATOM 3753 H2 HOH A3159 -15.581 -16.619 -33.994 0.00 0.00 0.206 H -ATOM 3754 O HOH A3160 -5.005 -19.356 -32.415 0.00 0.00 -0.412 O -ATOM 3755 H1 HOH A3160 -5.606 -18.555 -32.397 0.00 0.00 0.206 H -ATOM 3756 H2 HOH A3160 -5.417 -20.093 -31.876 0.00 0.00 0.206 H -ATOM 3757 O HOH A3161 -3.408 -22.469 -30.980 0.00 0.00 -0.412 O -ATOM 3758 H1 HOH A3161 -4.369 -22.190 -30.989 0.00 0.00 0.206 H -ATOM 3759 H2 HOH A3161 -2.850 -21.725 -30.608 0.00 0.00 0.206 H -ATOM 3760 O HOH A3162 -10.762 -23.679 -31.255 0.00 0.00 -0.412 O -ATOM 3761 H1 HOH A3162 -11.469 -23.749 -31.960 0.00 0.00 0.206 H -ATOM 3762 H2 HOH A3162 -11.126 -24.008 -30.382 0.00 0.00 0.206 H -ATOM 3763 O HOH A3165 -11.534 -15.512 -32.606 0.00 0.00 -0.412 O -ATOM 3764 H1 HOH A3165 -12.285 -14.870 -32.773 0.00 0.00 0.206 H -ATOM 3765 H2 HOH A3165 -11.825 -16.436 -32.859 0.00 0.00 0.206 H -ATOM 3766 O HOH A3167 -13.746 -13.561 -33.185 0.00 0.00 -0.412 O -ATOM 3767 H1 HOH A3167 -13.551 -12.756 -32.620 0.00 0.00 0.206 H -ATOM 3768 H2 HOH A3167 -13.610 -13.329 -34.149 0.00 0.00 0.206 H -ATOM 3769 O HOH A3168 -26.094 -13.799 -0.896 0.00 0.00 -0.412 O -ATOM 3770 H1 HOH A3168 -27.007 -14.165 -1.083 0.00 0.00 0.206 H -ATOM 3771 H2 HOH A3168 -26.107 -12.803 -1.005 0.00 0.00 0.206 H -ATOM 3772 O HOH A3169 -34.123 -17.331 -3.059 0.00 0.00 -0.412 O -ATOM 3773 H1 HOH A3169 -33.290 -17.545 -2.542 0.00 0.00 0.206 H -ATOM 3774 H2 HOH A3169 -34.821 -16.986 -2.431 0.00 0.00 0.206 H -ATOM 3775 O HOH A3170 -33.921 -22.247 -2.941 0.00 0.00 -0.412 O -ATOM 3776 H1 HOH A3170 -34.169 -21.483 -3.540 0.00 0.00 0.206 H -ATOM 3777 H2 HOH A3170 -34.752 -22.662 -2.571 0.00 0.00 0.206 H -ATOM 3778 O HOH A3171 -32.678 -12.270 0.084 0.00 0.00 -0.412 O -ATOM 3779 H1 HOH A3171 -31.924 -12.251 -0.575 0.00 0.00 0.206 H -ATOM 3780 H2 HOH A3171 -32.328 -12.536 0.983 0.00 0.00 0.206 H -ATOM 3781 O HOH A3172 -1.745 -20.216 -29.856 0.00 0.00 -0.412 O -ATOM 3782 H1 HOH A3172 -1.529 -19.678 -30.671 0.00 0.00 0.206 H -ATOM 3783 H2 HOH A3172 -0.906 -20.625 -29.495 0.00 0.00 0.206 H -ATOM 3784 O HOH A3173 -26.119 -0.882 -11.029 0.00 0.00 -0.412 O -ATOM 3785 H1 HOH A3173 -27.046 -1.189 -10.796 0.00 0.00 0.206 H -ATOM 3786 H2 HOH A3173 -26.144 0.086 -11.279 0.00 0.00 0.206 H -ATOM 3787 O HOH A3174 -31.146 -1.372 -12.345 0.00 0.00 -0.412 O -ATOM 3788 H1 HOH A3174 -31.722 -0.564 -12.224 0.00 0.00 0.206 H -ATOM 3789 H2 HOH A3174 -30.850 -1.427 -13.303 0.00 0.00 0.206 H -ATOM 3790 O HOH A3175 -34.651 -4.892 -19.383 0.00 0.00 -0.412 O -ATOM 3791 H1 HOH A3175 -35.115 -4.007 -19.326 0.00 0.00 0.206 H -ATOM 3792 H2 HOH A3175 -34.430 -5.209 -18.457 0.00 0.00 0.206 H -ATOM 3793 O HOH A3176 -22.870 -0.673 -21.739 0.00 0.00 -0.412 O -ATOM 3794 H1 HOH A3176 -22.779 -0.749 -20.744 0.00 0.00 0.206 H -ATOM 3795 H2 HOH A3176 -23.759 -1.038 -22.020 0.00 0.00 0.206 H -ATOM 3796 O HOH A3177 -17.732 -2.272 -14.677 0.00 0.00 -0.412 O -ATOM 3797 H1 HOH A3177 -18.089 -3.181 -14.902 0.00 0.00 0.206 H -ATOM 3798 H2 HOH A3177 -18.469 -1.599 -14.762 0.00 0.00 0.206 H -ATOM 3799 O HOH A3178 -16.999 -7.210 -25.589 0.00 0.00 -0.412 O -ATOM 3800 H1 HOH A3178 -17.231 -7.085 -26.554 0.00 0.00 0.206 H -ATOM 3801 H2 HOH A3178 -16.123 -6.764 -25.397 0.00 0.00 0.206 H -ATOM 3802 O HOH A3179 -17.467 -0.822 -21.266 0.00 0.00 -0.412 O -ATOM 3803 H1 HOH A3179 -18.149 -1.290 -20.702 0.00 0.00 0.206 H -ATOM 3804 H2 HOH A3179 -16.859 -1.501 -21.686 0.00 0.00 0.206 H -ATOM 3805 O HOH A3180 -13.786 -0.384 -20.925 0.00 0.00 -0.412 O -ATOM 3806 H1 HOH A3180 -13.841 -1.380 -21.023 0.00 0.00 0.206 H -ATOM 3807 H2 HOH A3180 -14.704 0.006 -21.007 0.00 0.00 0.206 H -ATOM 3808 O HOH A3181 -33.705 -3.871 -22.018 0.00 0.00 -0.412 O -ATOM 3809 H1 HOH A3181 -32.808 -4.157 -22.363 0.00 0.00 0.206 H -ATOM 3810 H2 HOH A3181 -33.870 -4.296 -21.126 0.00 0.00 0.206 H -ATOM 3811 O HOH A3182 -33.730 -16.710 -36.592 0.00 0.00 -0.412 O -ATOM 3812 H1 HOH A3182 -34.426 -16.239 -36.045 0.00 0.00 0.206 H -ATOM 3813 H2 HOH A3182 -33.859 -17.701 -36.513 0.00 0.00 0.206 H -ATOM 3814 O HOH A3183 -25.463 -12.606 -29.509 0.00 0.00 -0.412 O -ATOM 3815 H1 HOH A3183 -24.615 -12.246 -29.115 0.00 0.00 0.206 H -ATOM 3816 H2 HOH A3183 -25.751 -12.021 -30.270 0.00 0.00 0.206 H -ATOM 3817 O HOH A3184 -16.030 -9.179 -32.016 0.00 0.00 -0.412 O -ATOM 3818 H1 HOH A3184 -15.759 -9.091 -31.054 0.00 0.00 0.206 H -ATOM 3819 H2 HOH A3184 -15.698 -8.386 -32.527 0.00 0.00 0.206 H -ATOM 3820 O HOH A3185 -34.237 -6.847 -34.527 0.00 0.00 -0.412 O -ATOM 3821 H1 HOH A3185 -33.943 -5.948 -34.854 0.00 0.00 0.206 H -ATOM 3822 H2 HOH A3185 -34.760 -7.307 -35.244 0.00 0.00 0.206 H -ATOM 3823 O HOH A3186 -24.463 -19.854 -28.341 0.00 0.00 -0.412 O -ATOM 3824 H1 HOH A3186 -24.386 -18.946 -27.926 0.00 0.00 0.206 H -ATOM 3825 H2 HOH A3186 -25.318 -19.907 -28.862 0.00 0.00 0.206 H -ATOM 3826 O HOH A3187 -38.254 -12.204 -10.831 0.00 0.00 -0.412 O -ATOM 3827 H1 HOH A3187 -37.451 -12.509 -11.347 0.00 0.00 0.206 H -ATOM 3828 H2 HOH A3187 -38.281 -11.204 -10.819 0.00 0.00 0.206 H -ATOM 3829 O HOH A3188 -19.402 -17.931 -31.247 0.00 0.00 -0.412 O -ATOM 3830 H1 HOH A3188 -20.264 -18.228 -30.831 0.00 0.00 0.206 H -ATOM 3831 H2 HOH A3188 -18.742 -17.716 -30.525 0.00 0.00 0.206 H -ATOM 3832 O HOH A3189 -19.101 -15.721 -33.118 0.00 0.00 -0.412 O -ATOM 3833 H1 HOH A3189 -19.099 -16.584 -32.608 0.00 0.00 0.206 H -ATOM 3834 H2 HOH A3189 -19.375 -14.977 -32.506 0.00 0.00 0.206 H -ATOM 3835 O HOH A3190 -15.830 -16.046 -3.125 0.00 0.00 -0.412 O -ATOM 3836 H1 HOH A3190 -14.962 -15.556 -3.212 0.00 0.00 0.206 H -ATOM 3837 H2 HOH A3190 -16.584 -15.432 -3.368 0.00 0.00 0.206 H -ATOM 3838 O HOH A3191 -12.788 -28.299 -2.309 0.00 0.00 -0.412 O -ATOM 3839 H1 HOH A3191 -11.912 -28.102 -1.865 0.00 0.00 0.206 H -ATOM 3840 H2 HOH A3191 -13.221 -29.078 -1.855 0.00 0.00 0.206 H -ATOM 3841 O HOH A3192 -23.724 -26.302 -24.672 0.00 0.00 -0.412 O -ATOM 3842 H1 HOH A3192 -23.143 -25.499 -24.811 0.00 0.00 0.206 H -ATOM 3843 H2 HOH A3192 -23.150 -27.110 -24.529 0.00 0.00 0.206 H -ATOM 3844 O HOH A3193 -24.404 -26.790 -30.357 0.00 0.00 -0.412 O -ATOM 3845 H1 HOH A3193 -23.680 -26.216 -29.970 0.00 0.00 0.206 H -ATOM 3846 H2 HOH A3193 -25.297 -26.399 -30.124 0.00 0.00 0.206 H -ATOM 3847 O HOH A3194 -31.803 -20.995 -26.125 0.00 0.00 -0.412 O -ATOM 3848 H1 HOH A3194 -32.521 -21.086 -25.434 0.00 0.00 0.206 H -ATOM 3849 H2 HOH A3194 -31.107 -21.701 -25.975 0.00 0.00 0.206 H -ATOM 3850 O HOH A3195 -30.251 -25.057 -23.450 0.00 0.00 -0.412 O -ATOM 3851 H1 HOH A3195 -30.682 -25.962 -23.443 0.00 0.00 0.206 H -ATOM 3852 H2 HOH A3195 -30.582 -24.526 -22.669 0.00 0.00 0.206 H -ATOM 3853 O HOH A3196 -2.615 -21.464 -5.550 0.00 0.00 -0.412 O -ATOM 3854 H1 HOH A3196 -3.076 -21.328 -4.670 0.00 0.00 0.206 H -ATOM 3855 H2 HOH A3196 -1.645 -21.648 -5.391 0.00 0.00 0.206 H -ATOM 3856 O HOH A3197 -0.897 -15.418 -0.873 0.00 0.00 -0.412 O -ATOM 3857 H1 HOH A3197 -1.786 -14.971 -0.995 0.00 0.00 0.206 H -ATOM 3858 H2 HOH A3197 -0.972 -16.112 -0.157 0.00 0.00 0.206 H -ATOM 3859 O HOH A3198 -17.144 -25.382 -29.827 0.00 0.00 -0.412 O -ATOM 3860 H1 HOH A3198 -17.586 -25.552 -30.711 0.00 0.00 0.206 H -ATOM 3861 H2 HOH A3198 -16.676 -26.212 -29.525 0.00 0.00 0.206 H -ATOM 3862 O HOH A3199 -17.516 -22.926 -35.673 0.00 0.00 -0.412 O -ATOM 3863 H1 HOH A3199 -18.162 -22.936 -34.909 0.00 0.00 0.206 H -ATOM 3864 H2 HOH A3199 -17.361 -21.980 -35.963 0.00 0.00 0.206 H -ATOM 3865 O HOH A3200 -18.555 -25.410 -32.499 0.00 0.00 -0.412 O -ATOM 3866 H1 HOH A3200 -18.795 -24.461 -32.712 0.00 0.00 0.206 H -ATOM 3867 H2 HOH A3200 -18.424 -25.918 -33.351 0.00 0.00 0.206 H -ATOM 3868 O HOH A3201 -21.683 -18.201 -36.662 0.00 0.00 -0.412 O -ATOM 3869 H1 HOH A3201 -21.834 -18.823 -35.892 0.00 0.00 0.206 H -ATOM 3870 H2 HOH A3201 -20.960 -17.551 -36.430 0.00 0.00 0.206 H -ATOM 3871 O HOH A3202 -22.090 -22.415 -36.405 0.00 0.00 -0.412 O -ATOM 3872 H1 HOH A3202 -22.211 -21.571 -35.880 0.00 0.00 0.206 H -ATOM 3873 H2 HOH A3202 -22.587 -23.159 -35.956 0.00 0.00 0.206 H -ATOM 3874 O HOH A3203 -27.219 -28.759 -30.484 0.00 0.00 -0.412 O -ATOM 3875 H1 HOH A3203 -27.796 -27.954 -30.338 0.00 0.00 0.206 H -ATOM 3876 H2 HOH A3203 -26.260 -28.510 -30.338 0.00 0.00 0.206 H -ATOM 3877 O HOH A3204 8.372 -8.043 -11.062 0.00 0.00 -0.412 O -ATOM 3878 H1 HOH A3204 8.755 -8.278 -10.168 0.00 0.00 0.206 H -ATOM 3879 H2 HOH A3204 8.159 -8.882 -11.563 0.00 0.00 0.206 H -ATOM 3880 O HOH A3205 -29.076 -33.152 -28.759 0.00 0.00 -0.412 O -ATOM 3881 H1 HOH A3205 -29.918 -32.692 -28.468 0.00 0.00 0.206 H -ATOM 3882 H2 HOH A3205 -28.953 -33.988 -28.224 0.00 0.00 0.206 H -ATOM 3883 O HOH A3206 -36.426 -22.893 -31.114 0.00 0.00 -0.412 O -ATOM 3884 H1 HOH A3206 -35.921 -22.803 -30.253 0.00 0.00 0.206 H -ATOM 3885 H2 HOH A3206 -35.899 -22.466 -31.853 0.00 0.00 0.206 H -ATOM 3886 O HOH A3207 -40.781 -26.854 -27.175 0.00 0.00 -0.412 O -ATOM 3887 H1 HOH A3207 -40.766 -26.439 -26.264 0.00 0.00 0.206 H -ATOM 3888 H2 HOH A3207 -41.177 -27.771 -27.115 0.00 0.00 0.206 H -ATOM 3889 O HOH A3208 -34.078 -19.616 -36.158 0.00 0.00 -0.412 O -ATOM 3890 H1 HOH A3208 -33.646 -20.081 -35.380 0.00 0.00 0.206 H -ATOM 3891 H2 HOH A3208 -34.940 -20.074 -36.378 0.00 0.00 0.206 H -ATOM 3892 O HOH A3209 -36.437 -19.091 -32.984 0.00 0.00 -0.412 O -ATOM 3893 H1 HOH A3209 -35.960 -19.964 -33.118 0.00 0.00 0.206 H -ATOM 3894 H2 HOH A3209 -35.912 -18.525 -32.347 0.00 0.00 0.206 H -ATOM 3895 O HOH A3210 -30.215 -21.764 -36.057 0.00 0.00 -0.412 O -ATOM 3896 H1 HOH A3210 -30.195 -22.730 -36.317 0.00 0.00 0.206 H -ATOM 3897 H2 HOH A3210 -31.149 -21.509 -35.801 0.00 0.00 0.206 H -ATOM 3898 O HOH A3211 -26.453 -25.649 -38.085 0.00 0.00 -0.412 O -ATOM 3899 H1 HOH A3211 -26.599 -25.216 -38.977 0.00 0.00 0.206 H -ATOM 3900 H2 HOH A3211 -26.822 -26.579 -38.104 0.00 0.00 0.206 H -ATOM 3901 O HOH A3212 -26.850 -23.639 -40.354 0.00 0.00 -0.412 O -ATOM 3902 H1 HOH A3212 -26.048 -23.463 -40.928 0.00 0.00 0.206 H -ATOM 3903 H2 HOH A3212 -27.670 -23.657 -40.928 0.00 0.00 0.206 H -ATOM 3904 O HOH A3213 -35.726 -15.168 -35.017 0.00 0.00 -0.412 O -ATOM 3905 H1 HOH A3213 -35.570 -14.905 -34.063 0.00 0.00 0.206 H -ATOM 3906 H2 HOH A3213 -36.128 -14.398 -35.513 0.00 0.00 0.206 H -ATOM 3907 O HOH A3214 -13.014 -26.715 -27.520 0.00 0.00 -0.412 O -ATOM 3908 H1 HOH A3214 -12.377 -26.612 -26.753 0.00 0.00 0.206 H -ATOM 3909 H2 HOH A3214 -13.050 -27.677 -27.795 0.00 0.00 0.206 H -ATOM 3910 O HOH A3215 -33.374 -18.438 -25.016 0.00 0.00 -0.412 O -ATOM 3911 H1 HOH A3215 -33.422 -18.661 -25.992 0.00 0.00 0.206 H -ATOM 3912 H2 HOH A3215 -33.497 -19.273 -24.477 0.00 0.00 0.206 H -ATOM 3913 O HOH A3216 -12.299 -23.597 -33.991 0.00 0.00 -0.412 O -ATOM 3914 H1 HOH A3216 -11.547 -24.073 -34.449 0.00 0.00 0.206 H -ATOM 3915 H2 HOH A3216 -13.152 -24.097 -34.146 0.00 0.00 0.206 H -ATOM 3916 O HOH A3219 -37.791 -20.423 -30.064 0.00 0.00 -0.412 O -ATOM 3917 H1 HOH A3219 -37.450 -21.251 -30.513 0.00 0.00 0.206 H -ATOM 3918 H2 HOH A3219 -38.691 -20.191 -30.436 0.00 0.00 0.206 H -ATOM 3919 O HOH A3220 -37.878 -15.773 -24.515 0.00 0.00 -0.412 O -ATOM 3920 H1 HOH A3220 -37.864 -16.775 -24.513 0.00 0.00 0.206 H -ATOM 3921 H2 HOH A3220 -36.968 -15.431 -24.758 0.00 0.00 0.206 H -ATOM 3922 O HOH A3221 -33.619 -25.643 -21.683 0.00 0.00 -0.412 O -ATOM 3923 H1 HOH A3221 -32.917 -26.265 -22.035 0.00 0.00 0.206 H -ATOM 3924 H2 HOH A3221 -34.476 -25.801 -22.173 0.00 0.00 0.206 H -ATOM 3925 O HOH A3222 -27.798 -24.129 -21.811 0.00 0.00 -0.412 O -ATOM 3926 H1 HOH A3222 -27.769 -25.008 -22.291 0.00 0.00 0.206 H -ATOM 3927 H2 HOH A3222 -28.751 -23.842 -21.699 0.00 0.00 0.206 H -ATOM 3928 O HOH A3223 -39.232 -20.725 -18.785 0.00 0.00 -0.412 O -ATOM 3929 H1 HOH A3223 -38.314 -21.122 -18.848 0.00 0.00 0.206 H -ATOM 3930 H2 HOH A3223 -39.884 -21.438 -18.524 0.00 0.00 0.206 H -ATOM 3931 O HOH A3224 -25.571 -22.746 -20.695 0.00 0.00 -0.412 O -ATOM 3932 H1 HOH A3224 -24.768 -23.210 -21.076 0.00 0.00 0.206 H -ATOM 3933 H2 HOH A3224 -26.402 -23.196 -21.031 0.00 0.00 0.206 H -ATOM 3934 O HOH A3225 -27.245 -26.802 -23.062 0.00 0.00 -0.412 O -ATOM 3935 H1 HOH A3225 -26.313 -26.816 -23.427 0.00 0.00 0.206 H -ATOM 3936 H2 HOH A3225 -27.414 -27.645 -22.551 0.00 0.00 0.206 H -ATOM 3937 O HOH A3226 -31.906 -27.469 -23.428 0.00 0.00 -0.412 O -ATOM 3938 H1 HOH A3226 -32.545 -27.230 -24.162 0.00 0.00 0.206 H -ATOM 3939 H2 HOH A3226 -31.866 -28.464 -23.334 0.00 0.00 0.206 H -ATOM 3940 O HOH A3227 -17.274 -19.947 -36.219 0.00 0.00 -0.412 O -ATOM 3941 H1 HOH A3227 -16.573 -19.320 -35.878 0.00 0.00 0.206 H -ATOM 3942 H2 HOH A3227 -17.620 -19.614 -37.097 0.00 0.00 0.206 H -ATOM 3943 O HOH A3228 -42.655 -24.850 -28.645 0.00 0.00 -0.412 O -ATOM 3944 H1 HOH A3228 -42.005 -25.496 -28.242 0.00 0.00 0.206 H -ATOM 3945 H2 HOH A3228 -43.410 -25.355 -29.064 0.00 0.00 0.206 H -ATOM 3946 O HOH A3229 -2.549 -2.439 -18.672 0.00 0.00 -0.412 O -ATOM 3947 H1 HOH A3229 -3.525 -2.270 -18.826 0.00 0.00 0.206 H -ATOM 3948 H2 HOH A3229 -2.235 -1.887 -17.898 0.00 0.00 0.206 H -ATOM 3949 O HOH A3230 5.139 -1.665 -22.411 0.00 0.00 -0.412 O -ATOM 3950 H1 HOH A3230 5.615 -2.538 -22.289 0.00 0.00 0.206 H -ATOM 3951 H2 HOH A3230 5.813 -0.932 -22.513 0.00 0.00 0.206 H -ATOM 3952 O HOH A3231 0.383 -2.311 -21.652 0.00 0.00 -0.412 O -ATOM 3953 H1 HOH A3231 -0.421 -2.895 -21.521 0.00 0.00 0.206 H -ATOM 3954 H2 HOH A3231 0.348 -1.905 -22.566 0.00 0.00 0.206 H -ATOM 3955 O HOH A3232 0.004 -2.211 -24.827 0.00 0.00 -0.412 O -ATOM 3956 H1 HOH A3232 -0.100 -1.897 -25.773 0.00 0.00 0.206 H -ATOM 3957 H2 HOH A3232 0.953 -2.500 -24.679 0.00 0.00 0.206 H -ATOM 3958 O HOH A3233 -0.233 -3.878 -30.627 0.00 0.00 -0.412 O -ATOM 3959 H1 HOH A3233 -0.885 -3.903 -29.867 0.00 0.00 0.206 H -ATOM 3960 H2 HOH A3233 0.566 -4.434 -30.397 0.00 0.00 0.206 H -ATOM 3961 O HOH A3234 0.059 -1.833 -27.792 0.00 0.00 -0.412 O -ATOM 3962 H1 HOH A3234 -0.708 -2.418 -28.065 0.00 0.00 0.206 H -ATOM 3963 H2 HOH A3234 0.614 -1.619 -28.596 0.00 0.00 0.206 H -ATOM 3964 O HOH A3235 4.394 -0.325 -25.206 0.00 0.00 -0.412 O -ATOM 3965 H1 HOH A3235 4.324 -0.804 -24.330 0.00 0.00 0.206 H -ATOM 3966 H2 HOH A3235 3.477 -0.110 -25.542 0.00 0.00 0.206 H -ATOM 3967 O HOH A3236 6.492 -4.253 -21.670 0.00 0.00 -0.412 O -ATOM 3968 H1 HOH A3236 6.596 -4.481 -20.700 0.00 0.00 0.206 H -ATOM 3969 H2 HOH A3236 7.071 -4.858 -22.216 0.00 0.00 0.206 H -ATOM 3970 O HOH A3237 -9.010 -6.135 -31.297 0.00 0.00 -0.412 O -ATOM 3971 H1 HOH A3237 -8.916 -5.146 -31.173 0.00 0.00 0.206 H -ATOM 3972 H2 HOH A3237 -9.980 -6.383 -31.259 0.00 0.00 0.206 H -ATOM 3973 O HOH A3238 -2.327 -3.555 -32.708 0.00 0.00 -0.412 O -ATOM 3974 H1 HOH A3238 -1.531 -3.654 -32.107 0.00 0.00 0.206 H -ATOM 3975 H2 HOH A3238 -2.055 -3.078 -33.544 0.00 0.00 0.206 H -ATOM 3976 O HOH A3239 -4.575 -1.430 -36.243 0.00 0.00 -0.412 O -ATOM 3977 H1 HOH A3239 -4.506 -2.388 -36.525 0.00 0.00 0.206 H -ATOM 3978 H2 HOH A3239 -4.533 -0.842 -37.051 0.00 0.00 0.206 H -ATOM 3979 O HOH A3240 -4.437 -4.409 -36.915 0.00 0.00 -0.412 O -ATOM 3980 H1 HOH A3240 -4.755 -4.431 -35.965 0.00 0.00 0.206 H -ATOM 3981 H2 HOH A3240 -4.234 -5.340 -37.220 0.00 0.00 0.206 H -ATOM 3982 O HOH C3001 2.603 -13.313 -27.441 0.00 0.00 -0.412 O -ATOM 3983 H1 HOH C3001 1.686 -13.619 -27.176 0.00 0.00 0.206 H -ATOM 3984 H2 HOH C3001 2.532 -12.689 -28.219 0.00 0.00 0.206 H -ATOM 3985 O HOH C3002 -3.610 -26.538 -24.752 0.00 0.00 -0.412 O -ATOM 3986 H1 HOH C3002 -4.588 -26.678 -24.596 0.00 0.00 0.206 H -ATOM 3987 H2 HOH C3002 -3.238 -27.319 -25.254 0.00 0.00 0.206 H -ATOM 3988 O HOH C3003 0.448 -19.767 -20.131 0.00 0.00 -0.412 O -ATOM 3989 H1 HOH C3003 -0.459 -19.744 -19.707 0.00 0.00 0.206 H -ATOM 3990 H2 HOH C3003 0.360 -20.073 -21.080 0.00 0.00 0.206 H -ATOM 3991 O HOH C3004 -0.192 -14.160 -26.615 0.00 0.00 -0.412 O -ATOM 3992 H1 HOH C3004 0.127 -14.867 -25.980 0.00 0.00 0.206 H -ATOM 3993 H2 HOH C3004 -1.155 -13.960 -26.433 0.00 0.00 0.206 H -ATOM 3994 O HOH C3005 1.837 -17.167 -19.716 0.00 0.00 -0.412 O -ATOM 3995 H1 HOH C3005 1.406 -16.541 -19.063 0.00 0.00 0.206 H -ATOM 3996 H2 HOH C3005 1.315 -18.022 -19.751 0.00 0.00 0.206 H -ATOM 3997 O HOH C3006 0.489 -15.314 -17.881 0.00 0.00 -0.412 O -ATOM 3998 H1 HOH C3006 1.003 -14.484 -17.648 0.00 0.00 0.206 H -ATOM 3999 H2 HOH C3006 -0.475 -15.079 -18.024 0.00 0.00 0.206 H -ATOM 4000 O HOH C3007 -2.407 -14.785 -18.043 0.00 0.00 -0.412 O -ATOM 4001 H1 HOH C3007 -2.469 -13.806 -18.252 0.00 0.00 0.206 H -ATOM 4002 H2 HOH C3007 -2.454 -14.913 -17.051 0.00 0.00 0.206 H -ATOM 4003 O HOH C3008 -21.273 3.147 -35.277 0.00 0.00 -0.412 O -ATOM 4004 H1 HOH C3008 -21.479 2.167 -35.317 0.00 0.00 0.206 H -ATOM 4005 H2 HOH C3008 -22.000 3.657 -35.738 0.00 0.00 0.206 H -ATOM 4006 O HOH C3009 -20.098 4.761 -33.030 0.00 0.00 -0.412 O -ATOM 4007 H1 HOH C3009 -20.432 4.205 -33.794 0.00 0.00 0.206 H -ATOM 4008 H2 HOH C3009 -20.870 5.225 -32.596 0.00 0.00 0.206 H -ATOM 4009 O HOH C3010 5.478 -8.124 -25.285 0.00 0.00 -0.412 O -ATOM 4010 H1 HOH C3010 5.914 -8.223 -24.389 0.00 0.00 0.206 H -ATOM 4011 H2 HOH C3010 6.173 -8.172 -26.001 0.00 0.00 0.206 H -ATOM 4012 O HOH C3011 6.703 -12.207 -18.918 0.00 0.00 -0.412 O -ATOM 4013 H1 HOH C3011 7.336 -12.935 -19.184 0.00 0.00 0.206 H -ATOM 4014 H2 HOH C3011 6.381 -12.371 -17.985 0.00 0.00 0.206 H -ATOM 4015 O HOH C3012 6.620 -4.995 -18.733 0.00 0.00 -0.412 O -ATOM 4016 H1 HOH C3012 7.086 -4.811 -17.867 0.00 0.00 0.206 H -ATOM 4017 H2 HOH C3012 5.854 -5.621 -18.572 0.00 0.00 0.206 H -ATOM 4018 O HOH C3013 2.285 -13.187 -16.980 0.00 0.00 -0.412 O -ATOM 4019 H1 HOH C3013 2.870 -13.187 -16.166 0.00 0.00 0.206 H -ATOM 4020 H2 HOH C3013 2.528 -12.410 -17.564 0.00 0.00 0.206 H -ATOM 4021 O HOH C3014 2.785 -2.912 -24.573 0.00 0.00 -0.412 O -ATOM 4022 H1 HOH C3014 3.613 -2.886 -25.135 0.00 0.00 0.206 H -ATOM 4023 H2 HOH C3014 2.833 -3.692 -23.946 0.00 0.00 0.206 H -ATOM 4024 O HOH C3015 -6.388 -2.442 -21.766 0.00 0.00 -0.412 O -ATOM 4025 H1 HOH C3015 -6.544 -1.772 -22.495 0.00 0.00 0.206 H -ATOM 4026 H2 HOH C3015 -6.513 -3.367 -22.133 0.00 0.00 0.206 H -ATOM 4027 O HOH C3016 -11.917 -6.581 -30.913 0.00 0.00 -0.412 O -ATOM 4028 H1 HOH C3016 -12.688 -6.526 -31.548 0.00 0.00 0.206 H -ATOM 4029 H2 HOH C3016 -12.236 -6.933 -30.032 0.00 0.00 0.206 H -ATOM 4030 O HOH C3017 -9.001 0.096 -32.004 0.00 0.00 -0.412 O -ATOM 4031 H1 HOH C3017 -8.564 -0.788 -31.834 0.00 0.00 0.206 H -ATOM 4032 H2 HOH C3017 -9.990 -0.034 -32.092 0.00 0.00 0.206 H -ATOM 4033 O HOH C3018 -10.372 -1.168 -25.498 0.00 0.00 -0.412 O -ATOM 4034 H1 HOH C3018 -10.233 -2.062 -25.925 0.00 0.00 0.206 H -ATOM 4035 H2 HOH C3018 -11.156 -0.715 -25.923 0.00 0.00 0.206 H -ATOM 4036 O HOH C3019 -8.690 2.440 -24.096 0.00 0.00 -0.412 O -ATOM 4037 H1 HOH C3019 -8.392 3.177 -23.488 0.00 0.00 0.206 H -ATOM 4038 H2 HOH C3019 -9.673 2.293 -23.983 0.00 0.00 0.206 H -ATOM 4039 O HOH C3020 -7.590 -0.404 -23.587 0.00 0.00 -0.412 O -ATOM 4040 H1 HOH C3020 -8.478 -0.783 -23.319 0.00 0.00 0.206 H -ATOM 4041 H2 HOH C3020 -7.708 0.553 -23.859 0.00 0.00 0.206 H -ATOM 4042 O HOH C3021 -14.849 2.638 -38.414 0.00 0.00 -0.412 O -ATOM 4043 H1 HOH C3021 -15.314 1.902 -37.920 0.00 0.00 0.206 H -ATOM 4044 H2 HOH C3021 -13.973 2.833 -37.971 0.00 0.00 0.206 H -ATOM 4045 O HOH C3022 -18.633 2.190 -36.438 0.00 0.00 -0.412 O -ATOM 4046 H1 HOH C3022 -19.459 2.683 -36.159 0.00 0.00 0.206 H -ATOM 4047 H2 HOH C3022 -18.126 2.739 -37.103 0.00 0.00 0.206 H -ATOM 4048 O HOH C3023 -21.803 0.218 -35.571 0.00 0.00 -0.412 O -ATOM 4049 H1 HOH C3023 -21.159 -0.389 -35.101 0.00 0.00 0.206 H -ATOM 4050 H2 HOH C3023 -22.613 -0.303 -35.840 0.00 0.00 0.206 H -ATOM 4051 O HOH C3024 -17.402 5.094 -31.697 0.00 0.00 -0.412 O -ATOM 4052 H1 HOH C3024 -17.453 4.373 -31.005 0.00 0.00 0.206 H -ATOM 4053 H2 HOH C3024 -18.258 5.114 -32.217 0.00 0.00 0.206 H -ATOM 4054 O HOH C3025 -13.522 -11.076 -31.636 0.00 0.00 -0.412 O -ATOM 4055 H1 HOH C3025 -13.371 -10.882 -30.663 0.00 0.00 0.206 H -ATOM 4056 H2 HOH C3025 -14.127 -10.377 -32.020 0.00 0.00 0.206 H -ATOM 4057 O HOH C3026 -10.266 -1.383 -22.599 0.00 0.00 -0.412 O -ATOM 4058 H1 HOH C3026 -10.508 -1.309 -23.569 0.00 0.00 0.206 H -ATOM 4059 H2 HOH C3026 -10.672 -2.215 -22.218 0.00 0.00 0.206 H -ATOM 4060 O HOH C3027 -4.361 -22.799 -15.957 0.00 0.00 -0.412 O -ATOM 4061 H1 HOH C3027 -3.646 -22.503 -15.321 0.00 0.00 0.206 H -ATOM 4062 H2 HOH C3027 -4.092 -23.666 -16.379 0.00 0.00 0.206 H -ATOM 4063 O HOH C3028 -15.931 -11.632 -4.255 0.00 0.00 -0.412 O -ATOM 4064 H1 HOH C3028 -16.433 -10.768 -4.215 0.00 0.00 0.206 H -ATOM 4065 H2 HOH C3028 -15.883 -11.944 -5.207 0.00 0.00 0.206 H -ATOM 4066 O HOH C3029 -39.369 -14.346 -26.732 0.00 0.00 -0.412 O -ATOM 4067 H1 HOH C3029 -39.046 -14.815 -25.908 0.00 0.00 0.206 H -ATOM 4068 H2 HOH C3029 -39.785 -15.012 -27.353 0.00 0.00 0.206 H -ATOM 4069 O HOH C3030 -40.763 -16.294 -28.738 0.00 0.00 -0.412 O -ATOM 4070 H1 HOH C3030 -41.653 -16.160 -28.300 0.00 0.00 0.206 H -ATOM 4071 H2 HOH C3030 -40.597 -17.274 -28.858 0.00 0.00 0.206 H -ATOM 4072 O HOH C3031 -40.679 -19.232 -29.888 0.00 0.00 -0.412 O -ATOM 4073 H1 HOH C3031 -40.462 -19.750 -29.059 0.00 0.00 0.206 H -ATOM 4074 H2 HOH C3031 -41.472 -19.646 -30.338 0.00 0.00 0.206 H \ No newline at end of file diff --git a/unidock_tools/tests/ut/proprep/test_pdb2pdbqt.py b/unidock_tools/tests/ut/proprep/test_pdb2pdbqt.py deleted file mode 100644 index 0d0f049..0000000 --- a/unidock_tools/tests/ut/proprep/test_pdb2pdbqt.py +++ /dev/null @@ -1,17 +0,0 @@ -from pathlib import Path -import os -import pytest -import sys -sys.path.append('/personal/Uni-Dock/unidock_tools/src') - -@pytest.fixture -def pdb_file(): - return os.path.join(os.path.dirname(os.path.dirname(os.path.dirname(__file__))), "inputs", "protein.pdb") - - -def test_pdb2pdbqt(pdb_file): - from unidock_tools.modules.protein_prep import pdb2pdbqt - pdbqt_file = Path("protein.pdbqt") - pdb2pdbqt(pdb_file, pdbqt_file) - assert os.path.exists(pdbqt_file) - pdbqt_file.unlink(missing_ok=True) \ No newline at end of file