diff --git a/utils/autodock-vina-filter-plugin/.gitattributes b/utils/autodock-vina-filter-plugin/.gitattributes new file mode 100644 index 00000000..6612963f --- /dev/null +++ b/utils/autodock-vina-filter-plugin/.gitattributes @@ -0,0 +1,3 @@ +*.pdb filter=lfs diff=lfs merge=lfs -text +*.pdbqt filter=lfs diff=lfs merge=lfs -text +*.txt filter=lfs diff=lfs merge=lfs -text diff --git a/utils/autodock-vina-filter-plugin/autodock_vina_filter.cwl b/utils/autodock-vina-filter-plugin/autodock_vina_filter_0@1@0.cwl similarity index 98% rename from utils/autodock-vina-filter-plugin/autodock_vina_filter.cwl rename to utils/autodock-vina-filter-plugin/autodock_vina_filter_0@1@0.cwl index bead8a3e..a3090946 100644 --- a/utils/autodock-vina-filter-plugin/autodock_vina_filter.cwl +++ b/utils/autodock-vina-filter-plugin/autodock_vina_filter_0@1@0.cwl @@ -13,7 +13,7 @@ baseCommand: ["python3", "-m", "polus.mm.utils.autodock_vina_filter"] hints: DockerRequirement: - dockerPull: ndonyapour/autodock_vina_filter + dockerPull: polusai/autodock-vina-filter-tool@sha256:ca69ac31ed3733d544abc6424646a9b508e6e886a7a08ffef7a902490b7fca61 requirements: InlineJavascriptRequirement: {} diff --git a/utils/autodock-vina-filter-plugin/build-docker.sh b/utils/autodock-vina-filter-plugin/build-docker.sh new file mode 100644 index 00000000..c34b2aea --- /dev/null +++ b/utils/autodock-vina-filter-plugin/build-docker.sh @@ -0,0 +1,4 @@ +#!/bin/bash + +version=$("] +authors = ["Nazanin Donyapour ", "Brandon Walker "] readme = "README.md" packages = [{include = "polus", from = "src"}] [tool.poetry.dependencies] -python = ">=3.9,<3.12" +python = ">=3.9,<3.13" typer = "^0.7.0" -cwl-utils = "0.33" -cwltool = "3.1.20240404144621" +sophios = "0.1.4" [tool.poetry.group.dev.dependencies] bump2version = "^1.0.1" diff --git a/utils/autodock-vina-filter-plugin/tests/1e3g.pdbqt b/utils/autodock-vina-filter-plugin/tests/1e3g.pdbqt index cf02ec26..d0a98b22 100644 --- a/utils/autodock-vina-filter-plugin/tests/1e3g.pdbqt +++ b/utils/autodock-vina-filter-plugin/tests/1e3g.pdbqt @@ -1,62 +1,3 @@ -REMARK Name = 1e3g_ligand -REMARK 3 active torsions: -REMARK status: ('A' for Active; 'I' for Inactive) -REMARK 1 A between atoms: C_13 and C_18 -REMARK 2 A between atoms: C_17 and C_19 -REMARK 3 A between atoms: C_17 and O_21 -REMARK x y z vdW Elec q Type -REMARK _______ _______ _______ _____ _____ ______ ____ -ROOT -ATOM 1 C UNL A 1 0.414 28.070 4.103 0.00 0.00 -0.020 C -ATOM 2 C UNL A 1 1.195 26.999 4.832 0.00 0.00 +0.014 C -ATOM 3 C UNL A 1 2.661 27.140 4.532 0.00 0.00 +0.157 C -ATOM 4 C UNL A 1 3.174 28.457 4.794 0.00 0.00 -0.016 C -ATOM 5 C UNL A 1 2.367 29.553 4.780 0.00 0.00 -0.041 C -ATOM 6 C UNL A 1 2.973 30.906 5.116 0.00 0.00 -0.027 C -ATOM 7 C UNL A 1 2.207 32.030 4.457 0.00 0.00 -0.042 C -ATOM 8 C UNL A 1 0.733 31.962 4.898 0.00 0.00 -0.012 C -ATOM 9 C UNL A 1 0.124 30.597 4.514 0.00 0.00 -0.041 C -ATOM 10 C UNL A 1 0.912 29.480 4.476 0.00 0.00 -0.040 C -ATOM 11 C UNL A 1 -1.316 30.583 4.251 0.00 0.00 -0.061 C -ATOM 12 C UNL A 1 -2.102 31.675 4.310 0.00 0.00 -0.075 C -ATOM 13 C UNL A 1 -1.535 33.039 4.664 0.00 0.00 +0.018 C -ATOM 14 C UNL A 1 -0.056 33.066 4.261 0.00 0.00 -0.023 C -ATOM 15 C UNL A 1 0.387 34.509 4.572 0.00 0.00 -0.046 C -ATOM 16 C UNL A 1 -0.899 35.299 4.311 0.00 0.00 -0.023 C -ATOM 17 C UNL A 1 -2.001 34.282 3.900 0.00 0.00 +0.072 C -ATOM 18 O UNL A 1 3.375 26.212 4.162 0.00 0.00 -0.293 OA -ATOM 19 H UNL A 1 -0.635 27.987 4.386 0.00 0.00 +0.032 HD -ATOM 20 H UNL A 1 0.548 27.927 3.031 0.00 0.00 +0.032 HD -ATOM 21 H UNL A 1 0.854 26.018 4.502 0.00 0.00 +0.035 HD -ATOM 22 H UNL A 1 1.036 27.106 5.905 0.00 0.00 +0.035 HD -ATOM 23 H UNL A 1 4.235 28.581 5.009 0.00 0.00 +0.066 HD -ATOM 24 H UNL A 1 4.000 30.926 4.752 0.00 0.00 +0.031 HD -ATOM 25 H UNL A 1 2.933 31.046 6.196 0.00 0.00 +0.031 HD -ATOM 26 H UNL A 1 2.270 31.931 3.373 0.00 0.00 +0.027 HD -ATOM 27 H UNL A 1 2.634 32.988 4.753 0.00 0.00 +0.027 HD -ATOM 28 H UNL A 1 0.692 32.079 5.981 0.00 0.00 +0.035 HD -ATOM 29 H UNL A 1 -1.780 29.631 3.992 0.00 0.00 +0.062 HD -ATOM 30 H UNL A 1 -3.167 31.578 4.099 0.00 0.00 +0.058 HD -ATOM 31 H UNL A 1 0.123 32.850 3.208 0.00 0.00 +0.032 HD -ATOM 32 H UNL A 1 1.229 34.842 3.966 0.00 0.00 +0.027 HD -ATOM 33 H UNL A 1 0.773 34.634 5.584 0.00 0.00 +0.027 HD -ATOM 34 H UNL A 1 -0.742 36.030 3.518 0.00 0.00 +0.029 HD -ATOM 35 H UNL A 1 -1.199 35.843 5.207 0.00 0.00 +0.029 HD -ENDROOT -BRANCH 13 36 -ATOM 36 C UNL A 1 -1.725 33.228 6.189 0.00 0.00 -0.053 C -ATOM 37 H UNL A 1 -2.787 33.178 6.431 0.00 0.00 +0.024 HD -ATOM 38 H UNL A 1 -1.192 32.440 6.721 0.00 0.00 +0.024 HD -ATOM 39 H UNL A 1 -1.329 34.199 6.486 0.00 0.00 +0.024 HD -ENDBRANCH 13 36 -BRANCH 17 40 -ATOM 40 C UNL A 1 -2.034 34.050 2.412 0.00 0.00 -0.035 C -ATOM 41 H UNL A 1 -1.034 33.791 2.064 0.00 0.00 +0.026 HD -ATOM 42 H UNL A 1 -2.721 33.234 2.188 0.00 0.00 +0.026 HD -ATOM 43 H UNL A 1 -2.370 34.958 1.911 0.00 0.00 +0.026 HD -ENDBRANCH 17 40 -BRANCH 17 44 -ATOM 44 O UNL A 1 -3.257 34.797 4.345 0.00 0.00 -0.388 OA -ATOM 45 H UNL A 1 -3.486 35.571 3.826 0.00 0.00 +0.210 HD -ENDBRANCH 17 44 -TORSDOF 3 +version https://git-lfs.github.com/spec/v1 +oid sha256:24bf6ec9386d191d5c680bf100af549c86957d6f6229533a2b4dbad7860468c5 +size 4119 diff --git a/utils/autodock-vina-filter-plugin/tests/1e3g_protein.pdb b/utils/autodock-vina-filter-plugin/tests/1e3g_protein.pdb index ad059376..291a88ab 100644 --- a/utils/autodock-vina-filter-plugin/tests/1e3g_protein.pdb +++ b/utils/autodock-vina-filter-plugin/tests/1e3g_protein.pdb @@ -1,4107 +1,3 @@ -REMARK 1 CREATED WITH OPENMM 8.1, 2024-05-20 -ATOM 1 N CYS A 669 22.921 9.448 24.884 1.00 0.00 N -ATOM 2 H CYS A 669 23.587 10.110 25.331 1.00 0.00 H -ATOM 3 H2 CYS A 669 21.975 9.572 25.299 1.00 0.00 H -ATOM 4 H3 CYS A 669 23.244 8.472 25.039 1.00 0.00 H -ATOM 5 CA CYS A 669 22.859 9.723 23.414 1.00 0.00 C -ATOM 6 HA CYS A 669 22.445 10.726 23.312 1.00 0.00 H -ATOM 7 C CYS A 669 21.892 8.793 22.633 1.00 0.00 C -ATOM 8 O CYS A 669 22.074 8.565 21.427 1.00 0.00 O -ATOM 9 CB CYS A 669 24.276 9.675 22.802 1.00 0.00 C -ATOM 10 HB3 CYS A 669 24.294 8.879 22.058 1.00 0.00 H -ATOM 11 HB2 CYS A 669 24.979 9.440 23.601 1.00 0.00 H -ATOM 12 SG CYS A 669 24.838 11.217 21.992 1.00 0.00 S -ATOM 13 HG CYS A 669 24.659 10.014 22.644 1.00 0.00 H -ATOM 14 N GLN A 670 20.835 8.318 23.308 1.00 0.00 N -ATOM 15 H GLN A 670 20.709 8.605 24.300 1.00 0.00 H -ATOM 16 CA GLN A 670 19.841 7.405 22.705 1.00 0.00 C -ATOM 17 HA GLN A 670 20.372 6.792 21.977 1.00 0.00 H -ATOM 18 C GLN A 670 18.731 8.155 21.935 1.00 0.00 C -ATOM 19 O GLN A 670 18.184 9.157 22.427 1.00 0.00 O -ATOM 20 CB GLN A 670 19.222 6.498 23.792 1.00 0.00 C -ATOM 21 HB3 GLN A 670 20.038 6.068 24.372 1.00 0.00 H -ATOM 22 HB2 GLN A 670 18.609 7.125 24.439 1.00 0.00 H -ATOM 23 CG GLN A 670 18.335 5.330 23.282 1.00 0.00 C -ATOM 24 HG3 GLN A 670 17.368 5.382 23.783 1.00 0.00 H -ATOM 25 HG2 GLN A 670 18.192 5.444 22.207 1.00 0.00 H -ATOM 26 CD GLN A 670 18.946 3.972 23.548 1.00 0.00 C -ATOM 27 OE1 GLN A 670 19.840 3.532 22.833 1.00 0.00 O -ATOM 28 NE2 GLN A 670 18.456 3.297 24.575 1.00 0.00 N -ATOM 29 HE21 GLN A 670 18.829 2.354 24.803 1.00 0.00 H -ATOM 30 HE22 GLN A 670 17.697 3.710 25.154 1.00 0.00 H -ATOM 31 N PRO A 671 18.312 7.612 20.764 1.00 0.00 N -ATOM 32 CA PRO A 671 17.273 8.224 19.921 1.00 0.00 C -ATOM 33 HA PRO A 671 17.465 9.297 19.918 1.00 0.00 H -ATOM 34 C PRO A 671 15.795 8.270 20.367 1.00 0.00 C -ATOM 35 O PRO A 671 14.933 8.452 19.508 1.00 0.00 O -ATOM 36 CB PRO A 671 17.414 7.449 18.599 1.00 0.00 C -ATOM 37 HB3 PRO A 671 16.477 7.444 18.043 1.00 0.00 H -ATOM 38 HB2 PRO A 671 18.203 7.871 17.976 1.00 0.00 H -ATOM 39 CG PRO A 671 17.777 6.058 19.076 1.00 0.00 C -ATOM 40 HG3 PRO A 671 16.919 5.548 19.514 1.00 0.00 H -ATOM 41 HG2 PRO A 671 18.186 5.451 18.268 1.00 0.00 H -ATOM 42 CD PRO A 671 18.835 6.381 20.127 1.00 0.00 C -ATOM 43 HD3 PRO A 671 19.805 6.562 19.664 1.00 0.00 H -ATOM 44 HD2 PRO A 671 18.925 5.573 20.853 1.00 0.00 H -ATOM 45 N ILE A 672 15.473 8.187 21.661 1.00 0.00 N -ATOM 46 H ILE A 672 16.214 8.108 22.387 1.00 0.00 H -ATOM 47 CA ILE A 672 14.045 8.210 22.043 1.00 0.00 C -ATOM 48 HA ILE A 672 13.665 7.420 21.396 1.00 0.00 H -ATOM 49 C ILE A 672 13.232 9.465 21.682 1.00 0.00 C -ATOM 50 O ILE A 672 12.069 9.358 21.234 1.00 0.00 O -ATOM 51 CB ILE A 672 13.792 7.852 23.525 1.00 0.00 C -ATOM 52 HB ILE A 672 13.898 6.778 23.676 1.00 0.00 H -ATOM 53 CG1 ILE A 672 12.353 8.234 23.892 1.00 0.00 C -ATOM 54 HG13 ILE A 672 12.238 9.307 23.741 1.00 0.00 H -ATOM 55 HG12 ILE A 672 11.679 7.700 23.222 1.00 0.00 H -ATOM 56 CG2 ILE A 672 14.835 8.496 24.426 1.00 0.00 C -ATOM 57 HG21 ILE A 672 15.826 8.141 24.144 1.00 0.00 H -ATOM 58 HG22 ILE A 672 14.790 9.579 24.315 1.00 0.00 H -ATOM 59 HG23 ILE A 672 14.633 8.228 25.463 1.00 0.00 H -ATOM 60 CD1 ILE A 672 11.963 7.922 25.277 1.00 0.00 C -ATOM 61 HD11 ILE A 672 12.056 6.849 25.446 1.00 0.00 H -ATOM 62 HD12 ILE A 672 12.616 8.458 25.966 1.00 0.00 H -ATOM 63 HD13 ILE A 672 10.930 8.229 25.440 1.00 0.00 H -ATOM 64 N PHE A 673 13.834 10.642 21.885 1.00 0.00 N -ATOM 65 H PHE A 673 14.801 10.657 22.267 1.00 0.00 H -ATOM 66 CA PHE A 673 13.167 11.909 21.583 1.00 0.00 C -ATOM 67 HA PHE A 673 12.193 11.920 22.071 1.00 0.00 H -ATOM 68 C PHE A 673 12.960 12.039 20.068 1.00 0.00 C -ATOM 69 O PHE A 673 11.858 12.376 19.585 1.00 0.00 O -ATOM 70 CB PHE A 673 13.980 13.095 22.129 1.00 0.00 C -ATOM 71 HB3 PHE A 673 14.226 12.895 23.172 1.00 0.00 H -ATOM 72 HB2 PHE A 673 14.899 13.180 21.550 1.00 0.00 H -ATOM 73 CG PHE A 673 13.247 14.403 22.055 1.00 0.00 C -ATOM 74 CD1 PHE A 673 12.248 14.703 22.976 1.00 0.00 C -ATOM 75 HD1 PHE A 673 12.053 14.017 23.800 1.00 0.00 H -ATOM 76 CD2 PHE A 673 13.491 15.292 21.017 1.00 0.00 C -ATOM 77 HD2 PHE A 673 14.275 15.075 20.292 1.00 0.00 H -ATOM 78 CE1 PHE A 673 11.500 15.858 22.860 1.00 0.00 C -ATOM 79 HE1 PHE A 673 10.719 16.081 23.586 1.00 0.00 H -ATOM 80 CE2 PHE A 673 12.749 16.448 20.897 1.00 0.00 C -ATOM 81 HE2 PHE A 673 12.948 17.141 20.079 1.00 0.00 H -ATOM 82 CZ PHE A 673 11.749 16.730 21.816 1.00 0.00 C -ATOM 83 HZ PHE A 673 11.158 17.641 21.715 1.00 0.00 H -ATOM 84 N LEU A 674 14.023 11.743 19.327 1.00 0.00 N -ATOM 85 H LEU A 674 14.910 11.472 19.797 1.00 0.00 H -ATOM 86 CA LEU A 674 13.976 11.789 17.882 1.00 0.00 C -ATOM 87 HA LEU A 674 13.677 12.802 17.612 1.00 0.00 H -ATOM 88 C LEU A 674 12.919 10.866 17.273 1.00 0.00 C -ATOM 89 O LEU A 674 12.254 11.238 16.300 1.00 0.00 O -ATOM 90 CB LEU A 674 15.358 11.487 17.303 1.00 0.00 C -ATOM 91 HB3 LEU A 674 15.831 10.723 17.920 1.00 0.00 H -ATOM 92 HB2 LEU A 674 15.232 11.107 16.289 1.00 0.00 H -ATOM 93 CG LEU A 674 16.279 12.708 17.252 1.00 0.00 C -ATOM 94 HG LEU A 674 16.396 13.117 18.256 1.00 0.00 H -ATOM 95 CD1 LEU A 674 17.687 12.339 16.760 1.00 0.00 C -ATOM 96 HD11 LEU A 674 18.126 11.606 17.436 1.00 0.00 H -ATOM 97 HD12 LEU A 674 17.621 11.917 15.757 1.00 0.00 H -ATOM 98 HD13 LEU A 674 18.309 13.234 16.739 1.00 0.00 H -ATOM 99 CD2 LEU A 674 15.638 13.737 16.318 1.00 0.00 C -ATOM 100 HD21 LEU A 674 15.527 13.304 15.324 1.00 0.00 H -ATOM 101 HD22 LEU A 674 14.658 14.017 16.705 1.00 0.00 H -ATOM 102 HD23 LEU A 674 16.274 14.621 16.262 1.00 0.00 H -ATOM 103 N ASN A 675 12.731 9.686 17.871 1.00 0.00 N -ATOM 104 H ASN A 675 13.295 9.451 18.713 1.00 0.00 H -ATOM 105 CA ASN A 675 11.744 8.705 17.370 1.00 0.00 C -ATOM 106 HA ASN A 675 12.021 8.462 16.344 1.00 0.00 H -ATOM 107 C ASN A 675 10.374 9.297 17.456 1.00 0.00 C -ATOM 108 O ASN A 675 9.527 9.092 16.568 1.00 0.00 O -ATOM 109 CB ASN A 675 11.734 7.434 18.209 1.00 0.00 C -ATOM 110 HB3 ASN A 675 11.589 7.708 19.254 1.00 0.00 H -ATOM 111 HB2 ASN A 675 10.906 6.806 17.881 1.00 0.00 H -ATOM 112 CG ASN A 675 13.008 6.648 18.091 1.00 0.00 C -ATOM 113 OD1 ASN A 675 13.672 6.651 17.045 1.00 0.00 O -ATOM 114 ND2 ASN A 675 13.370 5.971 19.166 1.00 0.00 N -ATOM 115 HD21 ASN A 675 14.246 5.410 19.157 1.00 0.00 H -ATOM 116 HD22 ASN A 675 12.779 5.999 20.022 1.00 0.00 H -ATOM 117 N VAL A 676 10.159 10.022 18.551 1.00 0.00 N -ATOM 118 H VAL A 676 10.917 10.113 19.257 1.00 0.00 H -ATOM 119 CA VAL A 676 8.894 10.687 18.781 1.00 0.00 C -ATOM 120 HA VAL A 676 8.127 9.916 18.714 1.00 0.00 H -ATOM 121 C VAL A 676 8.669 11.777 17.736 1.00 0.00 C -ATOM 122 O VAL A 676 7.631 11.798 17.072 1.00 0.00 O -ATOM 123 CB VAL A 676 8.821 11.336 20.153 1.00 0.00 C -ATOM 124 HB VAL A 676 9.534 12.158 20.212 1.00 0.00 H -ATOM 125 CG1 VAL A 676 7.421 11.860 20.358 1.00 0.00 C -ATOM 126 HG11 VAL A 676 7.192 12.594 19.585 1.00 0.00 H -ATOM 127 HG12 VAL A 676 6.713 11.034 20.297 1.00 0.00 H -ATOM 128 HG13 VAL A 676 7.350 12.330 21.339 1.00 0.00 H -ATOM 129 CG2 VAL A 676 9.187 10.341 21.236 1.00 0.00 C -ATOM 130 HG21 VAL A 676 8.493 9.501 21.205 1.00 0.00 H -ATOM 131 HG22 VAL A 676 10.202 9.981 21.069 1.00 0.00 H -ATOM 132 HG23 VAL A 676 9.128 10.828 22.210 1.00 0.00 H -ATOM 133 N LEU A 677 9.637 12.667 17.547 1.00 0.00 N -ATOM 134 H LEU A 677 10.524 12.610 18.087 1.00 0.00 H -ATOM 135 CA LEU A 677 9.429 13.726 16.565 1.00 0.00 C -ATOM 136 HA LEU A 677 8.514 14.232 16.873 1.00 0.00 H -ATOM 137 C LEU A 677 9.188 13.208 15.156 1.00 0.00 C -ATOM 138 O LEU A 677 8.324 13.730 14.448 1.00 0.00 O -ATOM 139 CB LEU A 677 10.571 14.726 16.574 1.00 0.00 C -ATOM 140 HB3 LEU A 677 11.482 14.215 16.262 1.00 0.00 H -ATOM 141 HB2 LEU A 677 10.341 15.521 15.865 1.00 0.00 H -ATOM 142 CG LEU A 677 10.812 15.352 17.943 1.00 0.00 C -ATOM 143 HG LEU A 677 11.145 14.598 18.656 1.00 0.00 H -ATOM 144 CD1 LEU A 677 11.862 16.404 17.760 1.00 0.00 C -ATOM 145 HD11 LEU A 677 12.773 15.943 17.379 1.00 0.00 H -ATOM 146 HD12 LEU A 677 11.507 17.151 17.050 1.00 0.00 H -ATOM 147 HD13 LEU A 677 12.068 16.881 18.718 1.00 0.00 H -ATOM 148 CD2 LEU A 677 9.511 15.944 18.534 1.00 0.00 C -ATOM 149 HD21 LEU A 677 9.127 16.714 17.865 1.00 0.00 H -ATOM 150 HD22 LEU A 677 8.769 15.152 18.642 1.00 0.00 H -ATOM 151 HD23 LEU A 677 9.723 16.381 19.510 1.00 0.00 H -ATOM 152 N GLU A 678 9.927 12.170 14.764 1.00 0.00 N -ATOM 153 H GLU A 678 10.624 11.770 15.424 1.00 0.00 H -ATOM 154 CA GLU A 678 9.788 11.576 13.433 1.00 0.00 C -ATOM 155 HA GLU A 678 9.756 12.366 12.683 1.00 0.00 H -ATOM 156 C GLU A 678 8.502 10.791 13.361 1.00 0.00 C -ATOM 157 O GLU A 678 7.837 10.730 12.318 1.00 0.00 O -ATOM 158 CB GLU A 678 10.972 10.692 13.139 1.00 0.00 C -ATOM 159 HB3 GLU A 678 10.998 9.876 13.861 1.00 0.00 H -ATOM 160 HB2 GLU A 678 10.873 10.283 12.134 1.00 0.00 H -ATOM 161 CG GLU A 678 12.250 11.475 13.231 1.00 0.00 C -ATOM 162 HG3 GLU A 678 12.267 12.200 12.417 1.00 0.00 H -ATOM 163 HG2 GLU A 678 12.262 12.001 14.185 1.00 0.00 H -ATOM 164 CD GLU A 678 13.492 10.632 13.140 1.00 0.00 C -ATOM 165 OE1 GLU A 678 13.382 9.393 13.275 1.00 0.00 O -ATOM 166 OE2 GLU A 678 14.581 11.222 12.946 1.00 0.00 O -ATOM 167 N ALA A 679 8.118 10.229 14.496 1.00 0.00 N -ATOM 168 H ALA A 679 8.711 10.322 15.346 1.00 0.00 H -ATOM 169 CA ALA A 679 6.878 9.486 14.561 1.00 0.00 C -ATOM 170 HA ALA A 679 6.862 8.790 13.722 1.00 0.00 H -ATOM 171 C ALA A 679 5.658 10.400 14.416 1.00 0.00 C -ATOM 172 O ALA A 679 4.657 10.013 13.784 1.00 0.00 O -ATOM 173 CB ALA A 679 6.807 8.699 15.862 1.00 0.00 C -ATOM 174 HB1 ALA A 679 7.645 8.003 15.910 1.00 0.00 H -ATOM 175 HB2 ALA A 679 6.856 9.388 16.705 1.00 0.00 H -ATOM 176 HB3 ALA A 679 5.869 8.144 15.899 1.00 0.00 H -ATOM 177 N ILE A 680 5.748 11.621 14.958 1.00 0.00 N -ATOM 178 H ILE A 680 6.628 11.906 15.433 1.00 0.00 H -ATOM 179 CA ILE A 680 4.623 12.567 14.893 1.00 0.00 C -ATOM 180 HA ILE A 680 3.780 11.903 14.703 1.00 0.00 H -ATOM 181 C ILE A 680 4.603 13.553 13.732 1.00 0.00 C -ATOM 182 O ILE A 680 3.560 14.137 13.425 1.00 0.00 O -ATOM 183 CB ILE A 680 4.445 13.322 16.204 1.00 0.00 C -ATOM 184 HB ILE A 680 3.577 13.977 16.122 1.00 0.00 H -ATOM 185 CG1 ILE A 680 5.672 14.178 16.493 1.00 0.00 C -ATOM 186 HG13 ILE A 680 6.528 13.521 16.646 1.00 0.00 H -ATOM 187 HG12 ILE A 680 5.859 14.821 15.633 1.00 0.00 H -ATOM 188 CG2 ILE A 680 4.222 12.324 17.343 1.00 0.00 C -ATOM 189 HG21 ILE A 680 3.328 11.735 17.138 1.00 0.00 H -ATOM 190 HG22 ILE A 680 5.085 11.662 17.419 1.00 0.00 H -ATOM 191 HG23 ILE A 680 4.095 12.866 18.280 1.00 0.00 H -ATOM 192 CD1 ILE A 680 5.503 15.046 17.719 1.00 0.00 C -ATOM 193 HD11 ILE A 680 4.655 15.715 17.575 1.00 0.00 H -ATOM 194 HD12 ILE A 680 5.324 14.414 18.589 1.00 0.00 H -ATOM 195 HD13 ILE A 680 6.408 15.633 17.875 1.00 0.00 H -ATOM 196 N GLU A 681 5.732 13.677 13.044 1.00 0.00 N -ATOM 197 H GLU A 681 6.564 13.121 13.329 1.00 0.00 H -ATOM 198 CA GLU A 681 5.833 14.570 11.904 1.00 0.00 C -ATOM 199 HA GLU A 681 5.869 15.597 12.268 1.00 0.00 H -ATOM 200 C GLU A 681 4.638 14.373 11.013 1.00 0.00 C -ATOM 201 O GLU A 681 4.348 13.251 10.596 1.00 0.00 O -ATOM 202 CB GLU A 681 7.101 14.285 11.106 1.00 0.00 C -ATOM 203 HB3 GLU A 681 7.949 14.273 11.791 1.00 0.00 H -ATOM 204 HB2 GLU A 681 7.004 13.308 10.634 1.00 0.00 H -ATOM 205 CG GLU A 681 7.361 15.322 10.028 1.00 0.00 C -ATOM 206 HG3 GLU A 681 8.283 15.060 9.509 1.00 0.00 H -ATOM 207 HG2 GLU A 681 6.531 15.304 9.322 1.00 0.00 H -ATOM 208 CD GLU A 681 7.500 16.742 10.581 1.00 0.00 C -ATOM 209 OE1 GLU A 681 7.569 16.924 11.824 1.00 0.00 O -ATOM 210 OE2 GLU A 681 7.527 17.687 9.759 1.00 0.00 O -ATOM 211 N PRO A 682 3.892 15.446 10.751 1.00 0.00 N -ATOM 212 CA PRO A 682 2.695 15.422 9.904 1.00 0.00 C -ATOM 213 HA PRO A 682 1.966 14.691 10.253 1.00 0.00 H -ATOM 214 C PRO A 682 2.968 14.980 8.444 1.00 0.00 C -ATOM 215 O PRO A 682 4.076 15.133 7.920 1.00 0.00 O -ATOM 216 CB PRO A 682 2.214 16.870 9.965 1.00 0.00 C -ATOM 217 HB3 PRO A 682 2.582 17.437 9.110 1.00 0.00 H -ATOM 218 HB2 PRO A 682 1.125 16.916 9.988 1.00 0.00 H -ATOM 219 CG PRO A 682 2.800 17.399 11.250 1.00 0.00 C -ATOM 220 HG3 PRO A 682 2.850 18.488 11.240 1.00 0.00 H -ATOM 221 HG2 PRO A 682 2.219 17.071 12.112 1.00 0.00 H -ATOM 222 CD PRO A 682 4.159 16.800 11.261 1.00 0.00 C -ATOM 223 HD3 PRO A 682 4.573 16.771 12.269 1.00 0.00 H -ATOM 224 HD2 PRO A 682 4.839 17.345 10.606 1.00 0.00 H -ATOM 225 N GLY A 683 1.943 14.446 7.788 1.00 0.00 N -ATOM 226 H GLY A 683 1.020 14.354 8.259 1.00 0.00 H -ATOM 227 CA GLY A 683 2.103 13.990 6.416 1.00 0.00 C -ATOM 228 HA3 GLY A 683 3.112 13.591 6.313 1.00 0.00 H -ATOM 229 HA2 GLY A 683 1.379 13.194 6.243 1.00 0.00 H -ATOM 230 C GLY A 683 1.905 15.043 5.334 1.00 0.00 C -ATOM 231 O GLY A 683 1.817 16.226 5.629 1.00 0.00 O -ATOM 232 N VAL A 684 1.729 14.601 4.089 1.00 0.00 N -ATOM 233 H VAL A 684 1.723 13.575 3.917 1.00 0.00 H -ATOM 234 CA VAL A 684 1.544 15.505 2.959 1.00 0.00 C -ATOM 235 HA VAL A 684 2.259 16.321 3.070 1.00 0.00 H -ATOM 236 C VAL A 684 0.123 16.048 2.952 1.00 0.00 C -ATOM 237 O VAL A 684 -0.828 15.287 2.775 1.00 0.00 O -ATOM 238 CB VAL A 684 1.805 14.792 1.625 1.00 0.00 C -ATOM 239 HB VAL A 684 1.096 13.970 1.520 1.00 0.00 H -ATOM 240 CG1 VAL A 684 1.618 15.769 0.487 1.00 0.00 C -ATOM 241 HG11 VAL A 684 0.597 16.151 0.502 1.00 0.00 H -ATOM 242 HG12 VAL A 684 2.319 16.596 0.601 1.00 0.00 H -ATOM 243 HG13 VAL A 684 1.804 15.262 -0.460 1.00 0.00 H -ATOM 244 CG2 VAL A 684 3.222 14.212 1.591 1.00 0.00 C -ATOM 245 HG21 VAL A 684 3.946 15.018 1.708 1.00 0.00 H -ATOM 246 HG22 VAL A 684 3.339 13.495 2.404 1.00 0.00 H -ATOM 247 HG23 VAL A 684 3.385 13.711 0.637 1.00 0.00 H -ATOM 248 N VAL A 685 -0.021 17.360 3.125 1.00 0.00 N -ATOM 249 H VAL A 685 0.824 17.957 3.235 1.00 0.00 H -ATOM 250 CA VAL A 685 -1.341 17.974 3.163 1.00 0.00 C -ATOM 251 HA VAL A 685 -2.075 17.174 3.261 1.00 0.00 H -ATOM 252 C VAL A 685 -1.603 18.758 1.887 1.00 0.00 C -ATOM 253 O VAL A 685 -0.934 19.742 1.644 1.00 0.00 O -ATOM 254 CB VAL A 685 -1.455 18.932 4.355 1.00 0.00 C -ATOM 255 HB VAL A 685 -1.081 19.911 4.055 1.00 0.00 H -ATOM 256 CG1 VAL A 685 -2.888 19.062 4.764 1.00 0.00 C -ATOM 257 HG11 VAL A 685 -3.469 19.454 3.929 1.00 0.00 H -ATOM 258 HG12 VAL A 685 -3.273 18.083 5.049 1.00 0.00 H -ATOM 259 HG13 VAL A 685 -2.962 19.744 5.611 1.00 0.00 H -ATOM 260 CG2 VAL A 685 -0.611 18.445 5.520 1.00 0.00 C -ATOM 261 HG21 VAL A 685 -0.954 17.457 5.828 1.00 0.00 H -ATOM 262 HG22 VAL A 685 0.433 18.389 5.212 1.00 0.00 H -ATOM 263 HG23 VAL A 685 -0.708 19.141 6.353 1.00 0.00 H -ATOM 264 N CYS A 686 -2.582 18.340 1.087 1.00 0.00 N -ATOM 265 H CYS A 686 -3.130 17.502 1.367 1.00 0.00 H -ATOM 266 CA CYS A 686 -2.921 19.015 -0.177 1.00 0.00 C -ATOM 267 HA CYS A 686 -1.981 19.390 -0.582 1.00 0.00 H -ATOM 268 C CYS A 686 -3.830 20.266 -0.010 1.00 0.00 C -ATOM 269 O CYS A 686 -4.856 20.208 0.681 1.00 0.00 O -ATOM 270 CB CYS A 686 -3.559 18.009 -1.155 1.00 0.00 C -ATOM 271 HB3 CYS A 686 -4.111 18.574 -1.906 1.00 0.00 H -ATOM 272 HB2 CYS A 686 -4.251 17.384 -0.590 1.00 0.00 H -ATOM 273 SG CYS A 686 -2.391 16.910 -2.025 1.00 0.00 S -ATOM 274 HG CYS A 686 -3.092 16.067 -2.863 1.00 0.00 H -ATOM 275 N ALA A 687 -3.484 21.374 -0.681 1.00 0.00 N -ATOM 276 H ALA A 687 -2.644 21.346 -1.294 1.00 0.00 H -ATOM 277 CA ALA A 687 -4.248 22.631 -0.584 1.00 0.00 C -ATOM 278 HA ALA A 687 -4.414 22.798 0.480 1.00 0.00 H -ATOM 279 C ALA A 687 -5.583 22.542 -1.268 1.00 0.00 C -ATOM 280 O ALA A 687 -6.557 23.131 -0.803 1.00 0.00 O -ATOM 281 CB ALA A 687 -3.463 23.815 -1.168 1.00 0.00 C -ATOM 282 HB1 ALA A 687 -2.529 23.936 -0.620 1.00 0.00 H -ATOM 283 HB2 ALA A 687 -3.247 23.623 -2.219 1.00 0.00 H -ATOM 284 HB3 ALA A 687 -4.058 24.724 -1.079 1.00 0.00 H -ATOM 285 N GLY A 688 -5.623 21.791 -2.366 1.00 0.00 N -ATOM 286 H GLY A 688 -4.763 21.297 -2.679 1.00 0.00 H -ATOM 287 CA GLY A 688 -6.847 21.650 -3.134 1.00 0.00 C -ATOM 288 HA3 GLY A 688 -6.807 20.746 -3.742 1.00 0.00 H -ATOM 289 HA2 GLY A 688 -7.706 21.600 -2.465 1.00 0.00 H -ATOM 290 C GLY A 688 -6.948 22.874 -4.024 1.00 0.00 C -ATOM 291 O GLY A 688 -7.888 23.676 -3.924 1.00 0.00 O -ATOM 292 N HIS A 689 -5.951 23.042 -4.879 1.00 0.00 N -ATOM 293 H HIS A 689 -5.178 22.347 -4.910 1.00 0.00 H -ATOM 294 CA HIS A 689 -5.925 24.179 -5.769 1.00 0.00 C -ATOM 295 HA HIS A 689 -6.782 24.821 -5.563 1.00 0.00 H -ATOM 296 C HIS A 689 -6.022 23.716 -7.220 1.00 0.00 C -ATOM 297 O HIS A 689 -5.393 22.717 -7.602 1.00 0.00 O -ATOM 298 CB HIS A 689 -4.650 24.977 -5.537 1.00 0.00 C -ATOM 299 HB3 HIS A 689 -4.746 25.515 -4.594 1.00 0.00 H -ATOM 300 HB2 HIS A 689 -3.813 24.281 -5.474 1.00 0.00 H -ATOM 301 CG HIS A 689 -4.364 25.964 -6.617 1.00 0.00 C -ATOM 302 ND1 HIS A 689 -5.104 27.116 -6.787 1.00 0.00 N -ATOM 303 CD2 HIS A 689 -3.474 25.931 -7.633 1.00 0.00 C -ATOM 304 HD2 HIS A 689 -2.722 25.162 -7.811 1.00 0.00 H -ATOM 305 CE1 HIS A 689 -4.683 27.750 -7.868 1.00 0.00 C -ATOM 306 HE1 HIS A 689 -5.082 28.688 -8.253 1.00 0.00 H -ATOM 307 NE2 HIS A 689 -3.695 27.052 -8.402 1.00 0.00 N -ATOM 308 N ASP A 690 -6.838 24.424 -8.011 1.00 0.00 N -ATOM 309 H ASP A 690 -7.360 25.226 -7.604 1.00 0.00 H -ATOM 310 CA ASP A 690 -7.021 24.108 -9.427 1.00 0.00 C -ATOM 311 HA ASP A 690 -7.069 23.022 -9.513 1.00 0.00 H -ATOM 312 C ASP A 690 -5.835 24.583 -10.280 1.00 0.00 C -ATOM 313 O ASP A 690 -5.739 25.752 -10.654 1.00 0.00 O -ATOM 314 CB ASP A 690 -8.334 24.701 -9.949 1.00 0.00 C -ATOM 315 HB3 ASP A 690 -9.119 24.505 -9.219 1.00 0.00 H -ATOM 316 HB2 ASP A 690 -8.208 25.778 -10.065 1.00 0.00 H -ATOM 317 CG ASP A 690 -8.762 24.107 -11.304 1.00 0.00 C -ATOM 318 OD1 ASP A 690 -7.904 23.586 -12.054 1.00 0.00 O -ATOM 319 OD2 ASP A 690 -9.970 24.166 -11.620 1.00 0.00 O -ATOM 320 N ASN A 691 -4.925 23.657 -10.564 1.00 0.00 N -ATOM 321 H ASN A 691 -5.063 22.693 -10.200 1.00 0.00 H -ATOM 322 CA ASN A 691 -3.736 23.940 -11.369 1.00 0.00 C -ATOM 323 HA ASN A 691 -3.429 24.959 -11.134 1.00 0.00 H -ATOM 324 C ASN A 691 -4.037 23.857 -12.868 1.00 0.00 C -ATOM 325 O ASN A 691 -3.121 23.715 -13.682 1.00 0.00 O -ATOM 326 CB ASN A 691 -2.581 22.971 -11.016 1.00 0.00 C -ATOM 327 HB3 ASN A 691 -3.010 22.027 -10.681 1.00 0.00 H -ATOM 328 HB2 ASN A 691 -1.984 22.800 -11.912 1.00 0.00 H -ATOM 329 CG ASN A 691 -1.672 23.506 -9.923 1.00 0.00 C -ATOM 330 OD1 ASN A 691 -1.697 24.697 -9.600 1.00 0.00 O -ATOM 331 ND2 ASN A 691 -0.845 22.633 -9.365 1.00 0.00 N -ATOM 332 HD21 ASN A 691 -0.184 22.943 -8.625 1.00 0.00 H -ATOM 333 HD22 ASN A 691 -0.857 21.638 -9.668 1.00 0.00 H -ATOM 334 N ASN A 692 -5.317 23.908 -13.227 1.00 0.00 N -ATOM 335 H ASN A 692 -6.052 23.990 -12.495 1.00 0.00 H -ATOM 336 CA ASN A 692 -5.705 23.851 -14.632 1.00 0.00 C -ATOM 337 HA ASN A 692 -4.802 23.775 -15.238 1.00 0.00 H -ATOM 338 C ASN A 692 -6.467 25.131 -14.982 1.00 0.00 C -ATOM 339 O ASN A 692 -6.986 25.257 -16.087 1.00 0.00 O -ATOM 340 CB ASN A 692 -6.551 22.600 -14.958 1.00 0.00 C -ATOM 341 HB3 ASN A 692 -7.569 22.769 -14.608 1.00 0.00 H -ATOM 342 HB2 ASN A 692 -6.559 22.458 -16.039 1.00 0.00 H -ATOM 343 CG ASN A 692 -6.019 21.331 -14.307 1.00 0.00 C -ATOM 344 OD1 ASN A 692 -5.501 20.438 -14.972 1.00 0.00 O -ATOM 345 ND2 ASN A 692 -6.184 21.240 -12.993 1.00 0.00 N -ATOM 346 HD21 ASN A 692 -5.869 20.388 -12.487 1.00 0.00 H -ATOM 347 HD22 ASN A 692 -6.628 22.021 -12.469 1.00 0.00 H -ATOM 348 N GLN A 693 -6.597 26.035 -14.005 1.00 0.00 N -ATOM 349 H GLN A 693 -6.215 25.806 -13.065 1.00 0.00 H -ATOM 350 CA GLN A 693 -7.255 27.340 -14.196 1.00 0.00 C -ATOM 351 HA GLN A 693 -7.798 27.315 -15.141 1.00 0.00 H -ATOM 352 C GLN A 693 -6.171 28.429 -14.199 1.00 0.00 C -ATOM 353 O GLN A 693 -5.230 28.359 -13.413 1.00 0.00 O -ATOM 354 CB GLN A 693 -8.279 27.647 -13.084 1.00 0.00 C -ATOM 355 HB3 GLN A 693 -7.798 27.462 -12.123 1.00 0.00 H -ATOM 356 HB2 GLN A 693 -8.549 28.700 -13.157 1.00 0.00 H -ATOM 357 CG GLN A 693 -9.575 26.819 -13.134 1.00 0.00 C -ATOM 358 HG3 GLN A 693 -9.361 25.825 -12.741 1.00 0.00 H -ATOM 359 HG2 GLN A 693 -10.316 27.307 -12.501 1.00 0.00 H -ATOM 360 CD GLN A 693 -10.172 26.661 -14.540 1.00 0.00 C -ATOM 361 OE1 GLN A 693 -9.955 27.497 -15.423 1.00 0.00 O -ATOM 362 NE2 GLN A 693 -10.936 25.592 -14.745 1.00 0.00 N -ATOM 363 HE21 GLN A 693 -11.375 25.437 -15.675 1.00 0.00 H -ATOM 364 HE22 GLN A 693 -11.095 24.911 -13.975 1.00 0.00 H -ATOM 365 N PRO A 694 -6.285 29.438 -15.091 1.00 0.00 N -ATOM 366 CA PRO A 694 -5.302 30.531 -15.181 1.00 0.00 C -ATOM 367 HA PRO A 694 -4.304 30.177 -15.438 1.00 0.00 H -ATOM 368 C PRO A 694 -5.118 31.249 -13.856 1.00 0.00 C -ATOM 369 O PRO A 694 -6.106 31.640 -13.206 1.00 0.00 O -ATOM 370 CB PRO A 694 -5.911 31.458 -16.243 1.00 0.00 C -ATOM 371 HB3 PRO A 694 -5.699 32.503 -16.016 1.00 0.00 H -ATOM 372 HB2 PRO A 694 -5.528 31.218 -17.235 1.00 0.00 H -ATOM 373 CG PRO A 694 -7.421 31.170 -16.151 1.00 0.00 C -ATOM 374 HG3 PRO A 694 -7.869 31.637 -15.274 1.00 0.00 H -ATOM 375 HG2 PRO A 694 -7.950 31.498 -17.046 1.00 0.00 H -ATOM 376 CD PRO A 694 -7.398 29.662 -16.034 1.00 0.00 C -ATOM 377 HD3 PRO A 694 -7.200 29.194 -16.998 1.00 0.00 H -ATOM 378 HD2 PRO A 694 -8.338 29.282 -15.634 1.00 0.00 H -ATOM 379 N ASP A 695 -3.849 31.467 -13.496 1.00 0.00 N -ATOM 380 H ASP A 695 -3.087 31.163 -14.135 1.00 0.00 H -ATOM 381 CA ASP A 695 -3.494 32.117 -12.237 1.00 0.00 C -ATOM 382 HA ASP A 695 -3.755 31.397 -11.461 1.00 0.00 H -ATOM 383 C ASP A 695 -4.294 33.356 -11.942 1.00 0.00 C -ATOM 384 O ASP A 695 -4.859 33.997 -12.842 1.00 0.00 O -ATOM 385 CB ASP A 695 -1.995 32.405 -12.153 1.00 0.00 C -ATOM 386 HB3 ASP A 695 -1.640 32.700 -13.140 1.00 0.00 H -ATOM 387 HB2 ASP A 695 -1.835 33.223 -11.451 1.00 0.00 H -ATOM 388 CG ASP A 695 -1.190 31.192 -11.684 1.00 0.00 C -ATOM 389 OD1 ASP A 695 -1.523 30.627 -10.617 1.00 0.00 O -ATOM 390 OD2 ASP A 695 -0.217 30.802 -12.377 1.00 0.00 O -ATOM 391 N SER A 696 -4.338 33.694 -10.666 1.00 0.00 N -ATOM 392 H SER A 696 -3.817 33.122 -9.971 1.00 0.00 H -ATOM 393 CA SER A 696 -5.093 34.839 -10.214 1.00 0.00 C -ATOM 394 HA SER A 696 -4.885 35.699 -10.850 1.00 0.00 H -ATOM 395 C SER A 696 -4.690 35.191 -8.788 1.00 0.00 C -ATOM 396 O SER A 696 -4.326 34.319 -7.993 1.00 0.00 O -ATOM 397 CB SER A 696 -6.587 34.510 -10.289 1.00 0.00 C -ATOM 398 HB3 SER A 696 -6.758 33.532 -9.840 1.00 0.00 H -ATOM 399 HB2 SER A 696 -6.893 34.486 -11.335 1.00 0.00 H -ATOM 400 OG SER A 696 -7.365 35.473 -9.604 1.00 0.00 O -ATOM 401 HG SER A 696 -8.323 35.231 -9.672 1.00 0.00 H -ATOM 402 N PHE A 697 -4.754 36.477 -8.474 1.00 0.00 N -ATOM 403 H PHE A 697 -5.060 37.155 -9.200 1.00 0.00 H -ATOM 404 CA PHE A 697 -4.412 36.974 -7.153 1.00 0.00 C -ATOM 405 HA PHE A 697 -3.421 36.599 -6.899 1.00 0.00 H -ATOM 406 C PHE A 697 -5.344 36.448 -6.037 1.00 0.00 C -ATOM 407 O PHE A 697 -4.881 36.053 -4.971 1.00 0.00 O -ATOM 408 CB PHE A 697 -4.413 38.509 -7.195 1.00 0.00 C -ATOM 409 HB3 PHE A 697 -3.387 38.849 -7.335 1.00 0.00 H -ATOM 410 HB2 PHE A 697 -5.019 38.828 -8.043 1.00 0.00 H -ATOM 411 CG PHE A 697 -4.961 39.156 -5.951 1.00 0.00 C -ATOM 412 CD1 PHE A 697 -4.142 39.397 -4.856 1.00 0.00 C -ATOM 413 HD1 PHE A 697 -3.082 39.148 -4.913 1.00 0.00 H -ATOM 414 CD2 PHE A 697 -6.306 39.484 -5.864 1.00 0.00 C -ATOM 415 HD2 PHE A 697 -6.960 39.305 -6.717 1.00 0.00 H -ATOM 416 CE1 PHE A 697 -4.651 39.950 -3.691 1.00 0.00 C -ATOM 417 HE1 PHE A 697 -3.996 40.134 -2.839 1.00 0.00 H -ATOM 418 CE2 PHE A 697 -6.825 40.034 -4.710 1.00 0.00 C -ATOM 419 HE2 PHE A 697 -7.884 40.286 -4.654 1.00 0.00 H -ATOM 420 CZ PHE A 697 -5.994 40.267 -3.617 1.00 0.00 C -ATOM 421 HZ PHE A 697 -6.403 40.699 -2.704 1.00 0.00 H -ATOM 422 N ALA A 698 -6.653 36.464 -6.261 1.00 0.00 N -ATOM 423 H ALA A 698 -7.021 36.810 -7.170 1.00 0.00 H -ATOM 424 CA ALA A 698 -7.577 35.996 -5.230 1.00 0.00 C -ATOM 425 HA ALA A 698 -7.182 36.343 -4.275 1.00 0.00 H -ATOM 426 C ALA A 698 -7.653 34.467 -5.143 1.00 0.00 C -ATOM 427 O ALA A 698 -7.862 33.913 -4.063 1.00 0.00 O -ATOM 428 CB ALA A 698 -8.965 36.589 -5.448 1.00 0.00 C -ATOM 429 HB1 ALA A 698 -8.905 37.676 -5.404 1.00 0.00 H -ATOM 430 HB2 ALA A 698 -9.340 36.284 -6.425 1.00 0.00 H -ATOM 431 HB3 ALA A 698 -9.639 36.229 -4.671 1.00 0.00 H -ATOM 432 N ALA A 699 -7.492 33.783 -6.272 1.00 0.00 N -ATOM 433 H ALA A 699 -7.320 34.291 -7.163 1.00 0.00 H -ATOM 434 CA ALA A 699 -7.555 32.328 -6.270 1.00 0.00 C -ATOM 435 HA ALA A 699 -8.417 32.011 -5.682 1.00 0.00 H -ATOM 436 C ALA A 699 -6.290 31.748 -5.616 1.00 0.00 C -ATOM 437 O ALA A 699 -6.349 30.708 -4.951 1.00 0.00 O -ATOM 438 CB ALA A 699 -7.749 31.791 -7.694 1.00 0.00 C -ATOM 439 HB1 ALA A 699 -8.679 32.184 -8.105 1.00 0.00 H -ATOM 440 HB2 ALA A 699 -6.912 32.107 -8.317 1.00 0.00 H -ATOM 441 HB3 ALA A 699 -7.793 30.702 -7.667 1.00 0.00 H -ATOM 442 N LEU A 700 -5.155 32.423 -5.786 1.00 0.00 N -ATOM 443 H LEU A 700 -5.153 33.292 -6.357 1.00 0.00 H -ATOM 444 CA LEU A 700 -3.921 31.956 -5.181 1.00 0.00 C -ATOM 445 HA LEU A 700 -3.806 30.889 -5.374 1.00 0.00 H -ATOM 446 C LEU A 700 -3.983 32.180 -3.667 1.00 0.00 C -ATOM 447 O LEU A 700 -3.737 31.256 -2.893 1.00 0.00 O -ATOM 448 CB LEU A 700 -2.709 32.661 -5.800 1.00 0.00 C -ATOM 449 HB3 LEU A 700 -2.898 33.734 -5.770 1.00 0.00 H -ATOM 450 HB2 LEU A 700 -1.840 32.429 -5.185 1.00 0.00 H -ATOM 451 CG LEU A 700 -2.369 32.286 -7.251 1.00 0.00 C -ATOM 452 HG LEU A 700 -3.238 32.504 -7.871 1.00 0.00 H -ATOM 453 CD1 LEU A 700 -1.195 33.092 -7.751 1.00 0.00 C -ATOM 454 HD11 LEU A 700 -1.440 34.153 -7.710 1.00 0.00 H -ATOM 455 HD12 LEU A 700 -0.326 32.894 -7.123 1.00 0.00 H -ATOM 456 HD13 LEU A 700 -0.973 32.809 -8.780 1.00 0.00 H -ATOM 457 CD2 LEU A 700 -2.035 30.824 -7.337 1.00 0.00 C -ATOM 458 HD21 LEU A 700 -1.177 30.611 -6.700 1.00 0.00 H -ATOM 459 HD22 LEU A 700 -2.891 30.237 -7.005 1.00 0.00 H -ATOM 460 HD23 LEU A 700 -1.795 30.567 -8.369 1.00 0.00 H -ATOM 461 N LEU A 701 -4.384 33.375 -3.238 1.00 0.00 N -ATOM 462 H LEU A 701 -4.642 34.106 -3.931 1.00 0.00 H -ATOM 463 CA LEU A 701 -4.468 33.679 -1.808 1.00 0.00 C -ATOM 464 HA LEU A 701 -3.532 33.299 -1.397 1.00 0.00 H -ATOM 465 C LEU A 701 -5.548 32.917 -1.024 1.00 0.00 C -ATOM 466 O LEU A 701 -5.305 32.557 0.128 1.00 0.00 O -ATOM 467 CB LEU A 701 -4.545 35.190 -1.561 1.00 0.00 C -ATOM 468 HB3 LEU A 701 -5.341 35.594 -2.187 1.00 0.00 H -ATOM 469 HB2 LEU A 701 -4.794 35.348 -0.512 1.00 0.00 H -ATOM 470 CG LEU A 701 -3.253 35.971 -1.868 1.00 0.00 C -ATOM 471 HG LEU A 701 -3.010 35.788 -2.915 1.00 0.00 H -ATOM 472 CD1 LEU A 701 -3.479 37.426 -1.612 1.00 0.00 C -ATOM 473 HD11 LEU A 701 -4.283 37.786 -2.253 1.00 0.00 H -ATOM 474 HD12 LEU A 701 -3.753 37.571 -0.567 1.00 0.00 H -ATOM 475 HD13 LEU A 701 -2.565 37.978 -1.829 1.00 0.00 H -ATOM 476 CD2 LEU A 701 -2.070 35.506 -1.025 1.00 0.00 C -ATOM 477 HD21 LEU A 701 -2.302 35.644 0.031 1.00 0.00 H -ATOM 478 HD22 LEU A 701 -1.878 34.451 -1.221 1.00 0.00 H -ATOM 479 HD23 LEU A 701 -1.188 36.092 -1.285 1.00 0.00 H -ATOM 480 N SER A 702 -6.719 32.678 -1.633 1.00 0.00 N -ATOM 481 H SER A 702 -6.863 33.058 -2.590 1.00 0.00 H -ATOM 482 CA SER A 702 -7.822 31.899 -1.013 1.00 0.00 C -ATOM 483 HA SER A 702 -8.062 32.358 -0.054 1.00 0.00 H -ATOM 484 C SER A 702 -7.388 30.433 -0.783 1.00 0.00 C -ATOM 485 O SER A 702 -7.740 29.806 0.234 1.00 0.00 O -ATOM 486 CB SER A 702 -9.060 31.920 -1.914 1.00 0.00 C -ATOM 487 HB3 SER A 702 -9.855 31.338 -1.448 1.00 0.00 H -ATOM 488 HB2 SER A 702 -8.810 31.483 -2.881 1.00 0.00 H -ATOM 489 OG SER A 702 -9.500 33.246 -2.101 1.00 0.00 O -ATOM 490 HG SER A 702 -8.779 33.775 -2.526 1.00 0.00 H -ATOM 491 N SER A 703 -6.649 29.890 -1.756 1.00 0.00 N -ATOM 492 H SER A 703 -6.446 30.451 -2.608 1.00 0.00 H -ATOM 493 CA SER A 703 -6.119 28.536 -1.660 1.00 0.00 C -ATOM 494 HA SER A 703 -6.940 27.845 -1.469 1.00 0.00 H -ATOM 495 C SER A 703 -5.101 28.504 -0.528 1.00 0.00 C -ATOM 496 O SER A 703 -5.141 27.597 0.293 1.00 0.00 O -ATOM 497 CB SER A 703 -5.442 28.115 -2.956 1.00 0.00 C -ATOM 498 HB3 SER A 703 -5.005 27.124 -2.830 1.00 0.00 H -ATOM 499 HB2 SER A 703 -4.656 28.829 -3.202 1.00 0.00 H -ATOM 500 OG SER A 703 -6.388 28.080 -4.005 1.00 0.00 O -ATOM 501 HG SER A 703 -6.784 28.980 -4.121 1.00 0.00 H -ATOM 502 N LEU A 704 -4.215 29.501 -0.459 1.00 0.00 N -ATOM 503 H LEU A 704 -4.228 30.252 -1.179 1.00 0.00 H -ATOM 504 CA LEU A 704 -3.227 29.548 0.618 1.00 0.00 C -ATOM 505 HA LEU A 704 -2.620 28.646 0.532 1.00 0.00 H -ATOM 506 C LEU A 704 -3.902 29.552 1.984 1.00 0.00 C -ATOM 507 O LEU A 704 -3.389 28.951 2.920 1.00 0.00 O -ATOM 508 CB LEU A 704 -2.302 30.751 0.485 1.00 0.00 C -ATOM 509 HB3 LEU A 704 -2.865 31.541 -0.012 1.00 0.00 H -ATOM 510 HB2 LEU A 704 -2.039 31.073 1.493 1.00 0.00 H -ATOM 511 CG LEU A 704 -0.994 30.563 -0.291 1.00 0.00 C -ATOM 512 HG LEU A 704 -1.258 30.253 -1.302 1.00 0.00 H -ATOM 513 CD1 LEU A 704 -0.235 31.859 -0.308 1.00 0.00 C -ATOM 514 HD11 LEU A 704 -0.839 32.626 -0.792 1.00 0.00 H -ATOM 515 HD12 LEU A 704 -0.012 32.162 0.715 1.00 0.00 H -ATOM 516 HD13 LEU A 704 0.696 31.726 -0.860 1.00 0.00 H -ATOM 517 CD2 LEU A 704 -0.115 29.484 0.307 1.00 0.00 C -ATOM 518 HD21 LEU A 704 0.138 29.751 1.333 1.00 0.00 H -ATOM 519 HD22 LEU A 704 -0.651 28.535 0.298 1.00 0.00 H -ATOM 520 HD23 LEU A 704 0.798 29.393 -0.282 1.00 0.00 H -ATOM 521 N ASN A 705 -5.061 30.208 2.076 1.00 0.00 N -ATOM 522 H ASN A 705 -5.425 30.687 1.227 1.00 0.00 H -ATOM 523 CA ASN A 705 -5.849 30.289 3.311 1.00 0.00 C -ATOM 524 HA ASN A 705 -5.158 30.543 4.114 1.00 0.00 H -ATOM 525 C ASN A 705 -6.521 28.962 3.618 1.00 0.00 C -ATOM 526 O ASN A 705 -6.677 28.594 4.779 1.00 0.00 O -ATOM 527 CB ASN A 705 -6.934 31.370 3.201 1.00 0.00 C -ATOM 528 HB3 ASN A 705 -7.516 31.189 2.297 1.00 0.00 H -ATOM 529 HB2 ASN A 705 -7.586 31.299 4.071 1.00 0.00 H -ATOM 530 CG ASN A 705 -6.362 32.771 3.137 1.00 0.00 C -ATOM 531 OD1 ASN A 705 -5.197 32.992 3.470 1.00 0.00 O -ATOM 532 ND2 ASN A 705 -7.176 33.726 2.694 1.00 0.00 N -ATOM 533 HD21 ASN A 705 -6.835 34.706 2.618 1.00 0.00 H -ATOM 534 HD22 ASN A 705 -8.153 33.493 2.424 1.00 0.00 H -ATOM 535 N GLU A 706 -6.991 28.269 2.591 1.00 0.00 N -ATOM 536 H GLU A 706 -6.918 28.641 1.623 1.00 0.00 H -ATOM 537 CA GLU A 706 -7.607 26.987 2.842 1.00 0.00 C -ATOM 538 HA GLU A 706 -8.357 27.068 3.629 1.00 0.00 H -ATOM 539 C GLU A 706 -6.478 26.033 3.261 1.00 0.00 C -ATOM 540 O GLU A 706 -6.639 25.253 4.195 1.00 0.00 O -ATOM 541 CB GLU A 706 -8.352 26.472 1.621 1.00 0.00 C -ATOM 542 HB3 GLU A 706 -8.917 27.294 1.181 1.00 0.00 H -ATOM 543 HB2 GLU A 706 -7.626 26.103 0.896 1.00 0.00 H -ATOM 544 CG GLU A 706 -9.322 25.338 1.971 1.00 0.00 C -ATOM 545 HG3 GLU A 706 -9.809 25.008 1.053 1.00 0.00 H -ATOM 546 HG2 GLU A 706 -8.747 24.513 2.392 1.00 0.00 H -ATOM 547 CD GLU A 706 -10.417 25.735 2.986 1.00 0.00 C -ATOM 548 OE1 GLU A 706 -11.019 26.817 2.838 1.00 0.00 O -ATOM 549 OE2 GLU A 706 -10.707 24.945 3.918 1.00 0.00 O -ATOM 550 N LEU A 707 -5.307 26.167 2.636 1.00 0.00 N -ATOM 551 H LEU A 707 -5.214 26.878 1.882 1.00 0.00 H -ATOM 552 CA LEU A 707 -4.152 25.342 2.982 1.00 0.00 C -ATOM 553 HA LEU A 707 -4.416 24.290 2.868 1.00 0.00 H -ATOM 554 C LEU A 707 -3.767 25.654 4.431 1.00 0.00 C -ATOM 555 O LEU A 707 -3.464 24.747 5.211 1.00 0.00 O -ATOM 556 CB LEU A 707 -2.958 25.608 2.046 1.00 0.00 C -ATOM 557 HB3 LEU A 707 -3.251 25.312 1.039 1.00 0.00 H -ATOM 558 HB2 LEU A 707 -2.753 26.678 2.063 1.00 0.00 H -ATOM 559 CG LEU A 707 -1.651 24.872 2.392 1.00 0.00 C -ATOM 560 HG LEU A 707 -1.354 25.173 3.397 1.00 0.00 H -ATOM 561 CD1 LEU A 707 -1.895 23.385 2.326 1.00 0.00 C -ATOM 562 HD11 LEU A 707 -2.672 23.113 3.041 1.00 0.00 H -ATOM 563 HD12 LEU A 707 -2.215 23.115 1.320 1.00 0.00 H -ATOM 564 HD13 LEU A 707 -0.974 22.856 2.570 1.00 0.00 H -ATOM 565 CD2 LEU A 707 -0.518 25.239 1.459 1.00 0.00 C -ATOM 566 HD21 LEU A 707 -0.792 24.978 0.437 1.00 0.00 H -ATOM 567 HD22 LEU A 707 -0.329 26.311 1.523 1.00 0.00 H -ATOM 568 HD23 LEU A 707 0.380 24.692 1.747 1.00 0.00 H -ATOM 569 N GLY A 708 -3.782 26.938 4.787 1.00 0.00 N -ATOM 570 H GLY A 708 -4.026 27.661 4.081 1.00 0.00 H -ATOM 571 CA GLY A 708 -3.463 27.344 6.144 1.00 0.00 C -ATOM 572 HA3 GLY A 708 -2.428 27.089 6.370 1.00 0.00 H -ATOM 573 HA2 GLY A 708 -3.601 28.420 6.247 1.00 0.00 H -ATOM 574 C GLY A 708 -4.386 26.618 7.096 1.00 0.00 C -ATOM 575 O GLY A 708 -3.937 25.851 7.924 1.00 0.00 O -ATOM 576 N GLU A 709 -5.685 26.790 6.913 1.00 0.00 N -ATOM 577 H GLU A 709 -6.009 27.415 6.148 1.00 0.00 H -ATOM 578 CA GLU A 709 -6.680 26.125 7.758 1.00 0.00 C -ATOM 579 HA GLU A 709 -6.645 26.614 8.731 1.00 0.00 H -ATOM 580 C GLU A 709 -6.367 24.637 7.975 1.00 0.00 C -ATOM 581 O GLU A 709 -6.213 24.197 9.107 1.00 0.00 O -ATOM 582 CB GLU A 709 -8.079 26.273 7.151 1.00 0.00 C -ATOM 583 HB3 GLU A 709 -8.290 27.336 7.035 1.00 0.00 H -ATOM 584 HB2 GLU A 709 -8.078 25.795 6.171 1.00 0.00 H -ATOM 585 CG GLU A 709 -9.198 25.652 7.984 1.00 0.00 C -ATOM 586 HG3 GLU A 709 -10.006 25.360 7.313 1.00 0.00 H -ATOM 587 HG2 GLU A 709 -8.805 24.767 8.485 1.00 0.00 H -ATOM 588 CD GLU A 709 -9.766 26.593 9.042 1.00 0.00 C -ATOM 589 OE1 GLU A 709 -9.157 27.641 9.338 1.00 0.00 O -ATOM 590 OE2 GLU A 709 -10.855 26.293 9.573 1.00 0.00 O -ATOM 591 N ARG A 710 -6.235 23.864 6.901 1.00 0.00 N -ATOM 592 H ARG A 710 -6.343 24.271 5.950 1.00 0.00 H -ATOM 593 CA ARG A 710 -5.938 22.440 7.058 1.00 0.00 C -ATOM 594 HA ARG A 710 -6.731 22.129 7.738 1.00 0.00 H -ATOM 595 C ARG A 710 -4.617 22.102 7.735 1.00 0.00 C -ATOM 596 O ARG A 710 -4.522 21.061 8.396 1.00 0.00 O -ATOM 597 CB ARG A 710 -6.032 21.652 5.747 1.00 0.00 C -ATOM 598 HB3 ARG A 710 -5.120 21.063 5.650 1.00 0.00 H -ATOM 599 HB2 ARG A 710 -6.889 20.983 5.825 1.00 0.00 H -ATOM 600 CG ARG A 710 -6.192 22.446 4.493 1.00 0.00 C -ATOM 601 HG3 ARG A 710 -6.242 23.507 4.740 1.00 0.00 H -ATOM 602 HG2 ARG A 710 -5.339 22.266 3.839 1.00 0.00 H -ATOM 603 CD ARG A 710 -7.462 22.035 3.786 1.00 0.00 C -ATOM 604 HD3 ARG A 710 -7.977 22.931 3.440 1.00 0.00 H -ATOM 605 HD2 ARG A 710 -8.099 21.501 4.491 1.00 0.00 H -ATOM 606 NE ARG A 710 -7.203 21.172 2.643 1.00 0.00 N -ATOM 607 HE ARG A 710 -6.246 20.780 2.529 1.00 0.00 H -ATOM 608 CZ ARG A 710 -8.124 20.857 1.736 1.00 0.00 C -ATOM 609 NH1 ARG A 710 -9.364 21.349 1.854 1.00 0.00 N -ATOM 610 HH11 ARG A 710 -9.602 21.973 2.651 1.00 0.00 H -ATOM 611 HH12 ARG A 710 -10.089 21.107 1.149 1.00 0.00 H -ATOM 612 NH2 ARG A 710 -7.812 20.057 0.713 1.00 0.00 N -ATOM 613 HH21 ARG A 710 -6.847 19.679 0.624 1.00 0.00 H -ATOM 614 HH22 ARG A 710 -8.534 19.812 0.005 1.00 0.00 H -ATOM 615 N GLN A 711 -3.596 22.939 7.556 1.00 0.00 N -ATOM 616 H GLN A 711 -3.719 23.781 6.959 1.00 0.00 H -ATOM 617 CA GLN A 711 -2.310 22.685 8.189 1.00 0.00 C -ATOM 618 HA GLN A 711 -2.105 21.623 8.056 1.00 0.00 H -ATOM 619 C GLN A 711 -2.355 23.007 9.653 1.00 0.00 C -ATOM 620 O GLN A 711 -1.501 22.557 10.408 1.00 0.00 O -ATOM 621 CB GLN A 711 -1.194 23.478 7.542 1.00 0.00 C -ATOM 622 HB3 GLN A 711 -1.545 24.493 7.358 1.00 0.00 H -ATOM 623 HB2 GLN A 711 -0.343 23.507 8.223 1.00 0.00 H -ATOM 624 CG GLN A 711 -0.753 22.877 6.244 1.00 0.00 C -ATOM 625 HG3 GLN A 711 -0.645 21.800 6.373 1.00 0.00 H -ATOM 626 HG2 GLN A 711 -1.512 23.076 5.488 1.00 0.00 H -ATOM 627 CD GLN A 711 0.553 23.442 5.779 1.00 0.00 C -ATOM 628 OE1 GLN A 711 1.321 23.988 6.567 1.00 0.00 O -ATOM 629 NE2 GLN A 711 0.828 23.305 4.496 1.00 0.00 N -ATOM 630 HE21 GLN A 711 1.726 23.667 4.115 1.00 0.00 H -ATOM 631 HE22 GLN A 711 0.147 22.835 3.866 1.00 0.00 H -ATOM 632 N LEU A 712 -3.361 23.778 10.054 1.00 0.00 N -ATOM 633 H LEU A 712 -4.036 24.124 9.343 1.00 0.00 H -ATOM 634 CA LEU A 712 -3.561 24.163 11.457 1.00 0.00 C -ATOM 635 HA LEU A 712 -2.623 24.515 11.886 1.00 0.00 H -ATOM 636 C LEU A 712 -4.061 22.938 12.222 1.00 0.00 C -ATOM 637 O LEU A 712 -3.595 22.628 13.320 1.00 0.00 O -ATOM 638 CB LEU A 712 -4.585 25.295 11.550 1.00 0.00 C -ATOM 639 HB3 LEU A 712 -4.258 26.082 10.871 1.00 0.00 H -ATOM 640 HB2 LEU A 712 -5.539 24.895 11.208 1.00 0.00 H -ATOM 641 CG LEU A 712 -4.829 25.943 12.905 1.00 0.00 C -ATOM 642 HG LEU A 712 -5.419 25.280 13.538 1.00 0.00 H -ATOM 643 CD1 LEU A 712 -3.489 26.199 13.594 1.00 0.00 C -ATOM 644 HD11 LEU A 712 -2.966 25.253 13.731 1.00 0.00 H -ATOM 645 HD12 LEU A 712 -2.885 26.863 12.976 1.00 0.00 H -ATOM 646 HD13 LEU A 712 -3.664 26.663 14.565 1.00 0.00 H -ATOM 647 CD2 LEU A 712 -5.610 27.248 12.711 1.00 0.00 C -ATOM 648 HD21 LEU A 712 -5.033 27.925 12.081 1.00 0.00 H -ATOM 649 HD22 LEU A 712 -6.565 27.031 12.233 1.00 0.00 H -ATOM 650 HD23 LEU A 712 -5.785 27.713 13.681 1.00 0.00 H -ATOM 651 N VAL A 713 -5.014 22.240 11.623 1.00 0.00 N -ATOM 652 H VAL A 713 -5.386 22.574 10.711 1.00 0.00 H -ATOM 653 CA VAL A 713 -5.555 21.026 12.198 1.00 0.00 C -ATOM 654 HA VAL A 713 -6.135 21.247 13.094 1.00 0.00 H -ATOM 655 C VAL A 713 -4.383 20.100 12.562 1.00 0.00 C -ATOM 656 O VAL A 713 -4.275 19.646 13.703 1.00 0.00 O -ATOM 657 CB VAL A 713 -6.480 20.348 11.170 1.00 0.00 C -ATOM 658 HB VAL A 713 -5.938 20.245 10.230 1.00 0.00 H -ATOM 659 CG1 VAL A 713 -6.887 18.953 11.628 1.00 0.00 C -ATOM 660 HG11 VAL A 713 -5.996 18.338 11.752 1.00 0.00 H -ATOM 661 HG12 VAL A 713 -7.416 19.024 12.578 1.00 0.00 H -ATOM 662 HG13 VAL A 713 -7.539 18.502 10.880 1.00 0.00 H -ATOM 663 CG2 VAL A 713 -7.708 21.203 10.966 1.00 0.00 C -ATOM 664 HG21 VAL A 713 -8.234 21.314 11.914 1.00 0.00 H -ATOM 665 HG22 VAL A 713 -7.409 22.184 10.598 1.00 0.00 H -ATOM 666 HG23 VAL A 713 -8.365 20.726 10.239 1.00 0.00 H -ATOM 667 N HIS A 714 -3.471 19.905 11.604 1.00 0.00 N -ATOM 668 H HIS A 714 -3.605 20.388 10.693 1.00 0.00 H -ATOM 669 CA HIS A 714 -2.286 19.044 11.767 1.00 0.00 C -ATOM 670 HA HIS A 714 -2.692 18.065 12.020 1.00 0.00 H -ATOM 671 C HIS A 714 -1.379 19.495 12.857 1.00 0.00 C -ATOM 672 O HIS A 714 -0.798 18.674 13.571 1.00 0.00 O -ATOM 673 CB HIS A 714 -1.458 18.971 10.487 1.00 0.00 C -ATOM 674 HB3 HIS A 714 -1.485 19.947 10.002 1.00 0.00 H -ATOM 675 HB2 HIS A 714 -0.430 18.728 10.754 1.00 0.00 H -ATOM 676 CG HIS A 714 -1.950 17.947 9.519 1.00 0.00 C -ATOM 677 ND1 HIS A 714 -3.157 18.058 8.873 1.00 0.00 N -ATOM 678 CD2 HIS A 714 -1.404 16.778 9.108 1.00 0.00 C -ATOM 679 HD2 HIS A 714 -0.445 16.364 9.421 1.00 0.00 H -ATOM 680 CE1 HIS A 714 -3.340 17.005 8.100 1.00 0.00 C -ATOM 681 HE1 HIS A 714 -4.210 16.821 7.469 1.00 0.00 H -ATOM 682 NE2 HIS A 714 -2.291 16.211 8.219 1.00 0.00 N -ATOM 683 N VAL A 715 -1.172 20.803 12.898 1.00 0.00 N -ATOM 684 H VAL A 715 -1.628 21.409 12.187 1.00 0.00 H -ATOM 685 CA VAL A 715 -0.326 21.415 13.908 1.00 0.00 C -ATOM 686 HA VAL A 715 0.657 20.944 13.890 1.00 0.00 H -ATOM 687 C VAL A 715 -0.962 21.201 15.273 1.00 0.00 C -ATOM 688 O VAL A 715 -0.266 20.874 16.244 1.00 0.00 O -ATOM 689 CB VAL A 715 -0.101 22.918 13.620 1.00 0.00 C -ATOM 690 HB VAL A 715 -1.063 23.377 13.390 1.00 0.00 H -ATOM 691 CG1 VAL A 715 0.500 23.617 14.820 1.00 0.00 C -ATOM 692 HG11 VAL A 715 -0.175 23.521 15.671 1.00 0.00 H -ATOM 693 HG12 VAL A 715 1.459 23.160 15.062 1.00 0.00 H -ATOM 694 HG13 VAL A 715 0.647 24.672 14.588 1.00 0.00 H -ATOM 695 CG2 VAL A 715 0.857 23.048 12.463 1.00 0.00 C -ATOM 696 HG21 VAL A 715 1.804 22.573 12.722 1.00 0.00 H -ATOM 697 HG22 VAL A 715 0.433 22.561 11.585 1.00 0.00 H -ATOM 698 HG23 VAL A 715 1.025 24.103 12.249 1.00 0.00 H -ATOM 699 N VAL A 716 -2.286 21.329 15.331 1.00 0.00 N -ATOM 700 H VAL A 716 -2.816 21.587 14.474 1.00 0.00 H -ATOM 701 CA VAL A 716 -2.994 21.113 16.570 1.00 0.00 C -ATOM 702 HA VAL A 716 -2.663 21.834 17.317 1.00 0.00 H -ATOM 703 C VAL A 716 -2.687 19.683 17.037 1.00 0.00 C -ATOM 704 O VAL A 716 -2.078 19.485 18.092 1.00 0.00 O -ATOM 705 CB VAL A 716 -4.508 21.331 16.403 1.00 0.00 C -ATOM 706 HB VAL A 716 -4.852 20.769 15.535 1.00 0.00 H -ATOM 707 CG1 VAL A 716 -5.239 20.839 17.647 1.00 0.00 C -ATOM 708 HG11 VAL A 716 -5.040 19.777 17.788 1.00 0.00 H -ATOM 709 HG12 VAL A 716 -4.887 21.394 18.517 1.00 0.00 H -ATOM 710 HG13 VAL A 716 -6.311 20.996 17.523 1.00 0.00 H -ATOM 711 CG2 VAL A 716 -4.805 22.811 16.185 1.00 0.00 C -ATOM 712 HG21 VAL A 716 -4.454 23.381 17.045 1.00 0.00 H -ATOM 713 HG22 VAL A 716 -4.293 23.155 15.286 1.00 0.00 H -ATOM 714 HG23 VAL A 716 -5.880 22.951 16.068 1.00 0.00 H -ATOM 715 N LYS A 717 -2.972 18.709 16.179 1.00 0.00 N -ATOM 716 H LYS A 717 -3.373 18.952 15.251 1.00 0.00 H -ATOM 717 CA LYS A 717 -2.737 17.313 16.505 1.00 0.00 C -ATOM 718 HA LYS A 717 -3.215 17.122 17.466 1.00 0.00 H -ATOM 719 C LYS A 717 -1.263 16.990 16.699 1.00 0.00 C -ATOM 720 O LYS A 717 -0.920 16.262 17.631 1.00 0.00 O -ATOM 721 CB LYS A 717 -3.370 16.410 15.450 1.00 0.00 C -ATOM 722 HB3 LYS A 717 -3.110 16.790 14.462 1.00 0.00 H -ATOM 723 HB2 LYS A 717 -2.971 15.402 15.566 1.00 0.00 H -ATOM 724 CG LYS A 717 -4.890 16.352 15.569 1.00 0.00 C -ATOM 725 HG3 LYS A 717 -5.148 15.868 16.511 1.00 0.00 H -ATOM 726 HG2 LYS A 717 -5.279 17.370 15.567 1.00 0.00 H -ATOM 727 CD LYS A 717 -5.538 15.584 14.436 1.00 0.00 C -ATOM 728 HD3 LYS A 717 -5.443 16.155 13.512 1.00 0.00 H -ATOM 729 HD2 LYS A 717 -5.038 14.622 14.320 1.00 0.00 H -ATOM 730 CE LYS A 717 -7.009 15.353 14.736 1.00 0.00 C -ATOM 731 HE3 LYS A 717 -7.476 16.316 14.942 1.00 0.00 H -ATOM 732 HE2 LYS A 717 -7.087 14.717 15.617 1.00 0.00 H -ATOM 733 NZ LYS A 717 -7.739 14.704 13.619 1.00 0.00 N -ATOM 734 HZ1 LYS A 717 -7.681 15.306 12.773 1.00 0.00 H -ATOM 735 HZ2 LYS A 717 -7.310 13.778 13.418 1.00 0.00 H -ATOM 736 HZ3 LYS A 717 -8.736 14.575 13.887 1.00 0.00 H -ATOM 737 N TRP A 718 -0.383 17.589 15.893 1.00 0.00 N -ATOM 738 H TRP A 718 -0.722 18.257 15.171 1.00 0.00 H -ATOM 739 CA TRP A 718 1.058 17.319 16.010 1.00 0.00 C -ATOM 740 HA TRP A 718 1.184 16.240 15.921 1.00 0.00 H -ATOM 741 C TRP A 718 1.604 17.753 17.367 1.00 0.00 C -ATOM 742 O TRP A 718 2.347 17.014 18.020 1.00 0.00 O -ATOM 743 CB TRP A 718 1.850 17.995 14.883 1.00 0.00 C -ATOM 744 HB3 TRP A 718 1.696 17.424 13.968 1.00 0.00 H -ATOM 745 HB2 TRP A 718 1.460 19.004 14.750 1.00 0.00 H -ATOM 746 CG TRP A 718 3.343 18.092 15.136 1.00 0.00 C -ATOM 747 CD1 TRP A 718 4.279 17.133 14.909 1.00 0.00 C -ATOM 748 HD1 TRP A 718 4.067 16.136 14.522 1.00 0.00 H -ATOM 749 CD2 TRP A 718 4.055 19.232 15.641 1.00 0.00 C -ATOM 750 NE1 TRP A 718 5.533 17.598 15.237 1.00 0.00 N -ATOM 751 HE1 TRP A 718 6.419 17.060 15.156 1.00 0.00 H -ATOM 752 CE2 TRP A 718 5.419 18.889 15.689 1.00 0.00 C -ATOM 753 CE3 TRP A 718 3.672 20.519 16.046 1.00 0.00 C -ATOM 754 HE3 TRP A 718 2.623 20.816 16.029 1.00 0.00 H -ATOM 755 CZ2 TRP A 718 6.403 19.782 16.119 1.00 0.00 C -ATOM 756 HZ2 TRP A 718 7.454 19.494 16.149 1.00 0.00 H -ATOM 757 CZ3 TRP A 718 4.650 21.408 16.468 1.00 0.00 C -ATOM 758 HZ3 TRP A 718 4.363 22.413 16.777 1.00 0.00 H -ATOM 759 CH2 TRP A 718 5.997 21.036 16.503 1.00 0.00 C -ATOM 760 HH2 TRP A 718 6.741 21.757 16.842 1.00 0.00 H -ATOM 761 N ALA A 719 1.242 18.973 17.764 1.00 0.00 N -ATOM 762 H ALA A 719 0.630 19.530 17.134 1.00 0.00 H -ATOM 763 CA ALA A 719 1.654 19.580 19.037 1.00 0.00 C -ATOM 764 HA ALA A 719 2.740 19.496 19.062 1.00 0.00 H -ATOM 765 C ALA A 719 1.176 18.846 20.305 1.00 0.00 C -ATOM 766 O ALA A 719 1.968 18.662 21.246 1.00 0.00 O -ATOM 767 CB ALA A 719 1.214 21.043 19.073 1.00 0.00 C -ATOM 768 HB1 ALA A 719 1.679 21.581 18.247 1.00 0.00 H -ATOM 769 HB2 ALA A 719 0.129 21.097 18.979 1.00 0.00 H -ATOM 770 HB3 ALA A 719 1.521 21.490 20.018 1.00 0.00 H -ATOM 771 N LYS A 720 -0.107 18.461 20.337 1.00 0.00 N -ATOM 772 H LYS A 720 -0.712 18.679 19.520 1.00 0.00 H -ATOM 773 CA LYS A 720 -0.697 17.744 21.478 1.00 0.00 C -ATOM 774 HA LYS A 720 -0.515 18.371 22.351 1.00 0.00 H -ATOM 775 C LYS A 720 -0.019 16.386 21.772 1.00 0.00 C -ATOM 776 O LYS A 720 -0.227 15.789 22.835 1.00 0.00 O -ATOM 777 CB LYS A 720 -2.218 17.567 21.294 1.00 0.00 C -ATOM 778 HB3 LYS A 720 -2.439 17.592 20.227 1.00 0.00 H -ATOM 779 HB2 LYS A 720 -2.501 16.596 21.700 1.00 0.00 H -ATOM 780 CG LYS A 720 -3.057 18.632 21.979 1.00 0.00 C -ATOM 781 HG3 LYS A 720 -2.670 18.785 22.987 1.00 0.00 H -ATOM 782 HG2 LYS A 720 -2.972 19.560 21.413 1.00 0.00 H -ATOM 783 CD LYS A 720 -4.533 18.253 22.075 1.00 0.00 C -ATOM 784 HD3 LYS A 720 -5.014 18.436 21.114 1.00 0.00 H -ATOM 785 HD2 LYS A 720 -4.616 17.195 22.326 1.00 0.00 H -ATOM 786 CE LYS A 720 -5.236 19.088 23.161 1.00 0.00 C -ATOM 787 HE3 LYS A 720 -5.200 20.135 22.861 1.00 0.00 H -ATOM 788 HE2 LYS A 720 -4.690 18.960 24.095 1.00 0.00 H -ATOM 789 NZ LYS A 720 -6.668 18.719 23.402 1.00 0.00 N -ATOM 790 HZ1 LYS A 720 -7.210 18.847 22.524 1.00 0.00 H -ATOM 791 HZ2 LYS A 720 -6.723 17.725 23.703 1.00 0.00 H -ATOM 792 HZ3 LYS A 720 -7.062 19.330 24.146 1.00 0.00 H -ATOM 793 N ALA A 721 0.810 15.926 20.842 1.00 0.00 N -ATOM 794 H ALA A 721 0.952 16.483 19.975 1.00 0.00 H -ATOM 795 CA ALA A 721 1.524 14.671 20.995 1.00 0.00 C -ATOM 796 HA ALA A 721 1.063 14.133 21.823 1.00 0.00 H -ATOM 797 C ALA A 721 2.991 14.884 21.346 1.00 0.00 C -ATOM 798 O ALA A 721 3.762 13.931 21.370 1.00 0.00 O -ATOM 799 CB ALA A 721 1.410 13.840 19.710 1.00 0.00 C -ATOM 800 HB1 ALA A 721 0.360 13.632 19.505 1.00 0.00 H -ATOM 801 HB2 ALA A 721 1.840 14.398 18.878 1.00 0.00 H -ATOM 802 HB3 ALA A 721 1.949 12.901 19.837 1.00 0.00 H -ATOM 803 N LEU A 722 3.382 16.131 21.585 1.00 0.00 N -ATOM 804 H LEU A 722 2.688 16.903 21.527 1.00 0.00 H -ATOM 805 CA LEU A 722 4.764 16.438 21.927 1.00 0.00 C -ATOM 806 HA LEU A 722 5.389 15.815 21.287 1.00 0.00 H -ATOM 807 C LEU A 722 5.115 16.085 23.369 1.00 0.00 C -ATOM 808 O LEU A 722 4.301 16.249 24.281 1.00 0.00 O -ATOM 809 CB LEU A 722 5.058 17.911 21.665 1.00 0.00 C -ATOM 810 HB3 LEU A 722 4.190 18.492 21.976 1.00 0.00 H -ATOM 811 HB2 LEU A 722 5.921 18.198 22.266 1.00 0.00 H -ATOM 812 CG LEU A 722 5.357 18.244 20.218 1.00 0.00 C -ATOM 813 HG LEU A 722 4.653 17.736 19.559 1.00 0.00 H -ATOM 814 CD1 LEU A 722 5.226 19.728 20.021 1.00 0.00 C -ATOM 815 HD11 LEU A 722 4.211 20.038 20.268 1.00 0.00 H -ATOM 816 HD12 LEU A 722 5.933 20.243 20.671 1.00 0.00 H -ATOM 817 HD13 LEU A 722 5.440 19.975 18.981 1.00 0.00 H -ATOM 818 CD2 LEU A 722 6.753 17.784 19.880 1.00 0.00 C -ATOM 819 HD21 LEU A 722 7.468 18.291 20.528 1.00 0.00 H -ATOM 820 HD22 LEU A 722 6.826 16.707 20.030 1.00 0.00 H -ATOM 821 HD23 LEU A 722 6.971 18.023 18.839 1.00 0.00 H -ATOM 822 N PRO A 723 6.338 15.589 23.592 1.00 0.00 N -ATOM 823 CA PRO A 723 6.820 15.209 24.917 1.00 0.00 C -ATOM 824 HA PRO A 723 6.241 14.398 25.359 1.00 0.00 H -ATOM 825 C PRO A 723 6.724 16.368 25.893 1.00 0.00 C -ATOM 826 O PRO A 723 7.512 17.304 25.833 1.00 0.00 O -ATOM 827 CB PRO A 723 8.285 14.855 24.662 1.00 0.00 C -ATOM 828 HB3 PRO A 723 8.920 15.737 24.744 1.00 0.00 H -ATOM 829 HB2 PRO A 723 8.631 14.094 25.361 1.00 0.00 H -ATOM 830 CG PRO A 723 8.272 14.339 23.283 1.00 0.00 C -ATOM 831 HG3 PRO A 723 9.272 14.361 22.849 1.00 0.00 H -ATOM 832 HG2 PRO A 723 7.886 13.320 23.252 1.00 0.00 H -ATOM 833 CD PRO A 723 7.354 15.282 22.562 1.00 0.00 C -ATOM 834 HD3 PRO A 723 6.902 14.805 21.692 1.00 0.00 H -ATOM 835 HD2 PRO A 723 7.881 16.183 22.248 1.00 0.00 H -ATOM 836 N GLY A 724 5.780 16.284 26.812 1.00 0.00 N -ATOM 837 H GLY A 724 5.135 15.469 26.829 1.00 0.00 H -ATOM 838 CA GLY A 724 5.652 17.336 27.794 1.00 0.00 C -ATOM 839 HA3 GLY A 724 5.450 16.882 28.764 1.00 0.00 H -ATOM 840 HA2 GLY A 724 6.593 17.884 27.840 1.00 0.00 H -ATOM 841 C GLY A 724 4.544 18.311 27.480 1.00 0.00 C -ATOM 842 O GLY A 724 3.911 18.837 28.398 1.00 0.00 O -ATOM 843 N PHE A 725 4.212 18.465 26.201 1.00 0.00 N -ATOM 844 H PHE A 725 4.683 17.901 25.465 1.00 0.00 H -ATOM 845 CA PHE A 725 3.192 19.422 25.845 1.00 0.00 C -ATOM 846 HA PHE A 725 3.685 20.355 26.117 1.00 0.00 H -ATOM 847 C PHE A 725 1.899 19.385 26.620 1.00 0.00 C -ATOM 848 O PHE A 725 1.385 20.441 27.002 1.00 0.00 O -ATOM 849 CB PHE A 725 2.842 19.365 24.383 1.00 0.00 C -ATOM 850 HB3 PHE A 725 3.762 19.430 23.802 1.00 0.00 H -ATOM 851 HB2 PHE A 725 2.352 18.413 24.179 1.00 0.00 H -ATOM 852 CG PHE A 725 1.928 20.474 23.958 1.00 0.00 C -ATOM 853 CD1 PHE A 725 2.453 21.687 23.542 1.00 0.00 C -ATOM 854 HD1 PHE A 725 3.532 21.839 23.555 1.00 0.00 H -ATOM 855 CD2 PHE A 725 0.544 20.302 23.948 1.00 0.00 C -ATOM 856 HD2 PHE A 725 0.117 19.356 24.282 1.00 0.00 H -ATOM 857 CE1 PHE A 725 1.618 22.717 23.107 1.00 0.00 C -ATOM 858 HE1 PHE A 725 2.049 23.663 22.780 1.00 0.00 H -ATOM 859 CE2 PHE A 725 -0.308 21.331 23.513 1.00 0.00 C -ATOM 860 HE2 PHE A 725 -1.388 21.182 23.508 1.00 0.00 H -ATOM 861 CZ PHE A 725 0.233 22.540 23.089 1.00 0.00 C -ATOM 862 HZ PHE A 725 -0.419 23.343 22.745 1.00 0.00 H -ATOM 863 N ARG A 726 1.335 18.189 26.791 1.00 0.00 N -ATOM 864 H ARG A 726 1.814 17.343 26.423 1.00 0.00 H -ATOM 865 CA ARG A 726 0.050 18.042 27.489 1.00 0.00 C -ATOM 866 HA ARG A 726 -0.539 18.864 27.082 1.00 0.00 H -ATOM 867 C ARG A 726 0.057 18.304 28.995 1.00 0.00 C -ATOM 868 O ARG A 726 -0.978 18.139 29.644 1.00 0.00 O -ATOM 869 CB ARG A 726 -0.652 16.709 27.154 1.00 0.00 C -ATOM 870 HB3 ARG A 726 0.107 15.987 26.853 1.00 0.00 H -ATOM 871 HB2 ARG A 726 -1.157 16.351 28.051 1.00 0.00 H -ATOM 872 CG ARG A 726 -1.692 16.821 26.023 1.00 0.00 C -ATOM 873 HG3 ARG A 726 -2.296 17.715 26.179 1.00 0.00 H -ATOM 874 HG2 ARG A 726 -1.174 16.897 25.067 1.00 0.00 H -ATOM 875 CD ARG A 726 -2.598 15.606 26.003 1.00 0.00 C -ATOM 876 HD3 ARG A 726 -2.947 15.421 27.019 1.00 0.00 H -ATOM 877 HD2 ARG A 726 -2.018 14.750 25.658 1.00 0.00 H -ATOM 878 NE ARG A 726 -3.771 15.752 25.130 1.00 0.00 N -ATOM 879 HE ARG A 726 -3.606 16.015 24.137 1.00 0.00 H -ATOM 880 CZ ARG A 726 -5.040 15.569 25.526 1.00 0.00 C -ATOM 881 NH1 ARG A 726 -5.323 15.249 26.799 1.00 0.00 N -ATOM 882 HH11 ARG A 726 -4.554 15.140 27.491 1.00 0.00 H -ATOM 883 HH12 ARG A 726 -6.311 15.110 27.093 1.00 0.00 H -ATOM 884 NH2 ARG A 726 -6.028 15.649 24.632 1.00 0.00 N -ATOM 885 HH21 ARG A 726 -5.812 15.852 23.635 1.00 0.00 H -ATOM 886 HH22 ARG A 726 -7.014 15.508 24.932 1.00 0.00 H -ATOM 887 N ASN A 727 1.213 18.685 29.551 1.00 0.00 N -ATOM 888 H ASN A 727 2.069 18.745 28.963 1.00 0.00 H -ATOM 889 CA ASN A 727 1.292 19.018 30.969 1.00 0.00 C -ATOM 890 HA ASN A 727 0.529 18.455 31.506 1.00 0.00 H -ATOM 891 C ASN A 727 1.026 20.528 31.138 1.00 0.00 C -ATOM 892 O ASN A 727 0.723 20.993 32.248 1.00 0.00 O -ATOM 893 CB ASN A 727 2.636 18.589 31.604 1.00 0.00 C -ATOM 894 HB3 ASN A 727 2.485 18.465 32.676 1.00 0.00 H -ATOM 895 HB2 ASN A 727 2.933 17.635 31.168 1.00 0.00 H -ATOM 896 CG ASN A 727 3.777 19.597 31.388 1.00 0.00 C -ATOM 897 OD1 ASN A 727 4.837 19.234 30.881 1.00 0.00 O -ATOM 898 ND2 ASN A 727 3.606 20.828 31.864 1.00 0.00 N -ATOM 899 HD21 ASN A 727 4.383 21.518 31.814 1.00 0.00 H -ATOM 900 HD22 ASN A 727 2.695 21.100 32.286 1.00 0.00 H -ATOM 901 N LEU A 728 1.190 21.288 30.047 1.00 0.00 N -ATOM 902 H LEU A 728 1.497 20.829 29.166 1.00 0.00 H -ATOM 903 CA LEU A 728 0.957 22.739 30.035 1.00 0.00 C -ATOM 904 HA LEU A 728 1.550 23.169 30.842 1.00 0.00 H -ATOM 905 C LEU A 728 -0.520 23.033 30.227 1.00 0.00 C -ATOM 906 O LEU A 728 -1.365 22.247 29.822 1.00 0.00 O -ATOM 907 CB LEU A 728 1.369 23.348 28.695 1.00 0.00 C -ATOM 908 HB3 LEU A 728 0.829 22.789 27.931 1.00 0.00 H -ATOM 909 HB2 LEU A 728 1.014 24.378 28.709 1.00 0.00 H -ATOM 910 CG LEU A 728 2.822 23.408 28.228 1.00 0.00 C -ATOM 911 HG LEU A 728 3.251 22.406 28.210 1.00 0.00 H -ATOM 912 CD1 LEU A 728 2.808 24.029 26.844 1.00 0.00 C -ATOM 913 HD11 LEU A 728 2.210 23.410 26.175 1.00 0.00 H -ATOM 914 HD12 LEU A 728 2.376 25.028 26.900 1.00 0.00 H -ATOM 915 HD13 LEU A 728 3.828 24.094 26.466 1.00 0.00 H -ATOM 916 CD2 LEU A 728 3.700 24.223 29.181 1.00 0.00 C -ATOM 917 HD21 LEU A 728 3.320 25.243 29.241 1.00 0.00 H -ATOM 918 HD22 LEU A 728 3.680 23.767 30.171 1.00 0.00 H -ATOM 919 HD23 LEU A 728 4.724 24.237 28.807 1.00 0.00 H -ATOM 920 N HIS A 729 -0.841 24.201 30.763 1.00 0.00 N -ATOM 921 H HIS A 729 -0.096 24.879 31.022 1.00 0.00 H -ATOM 922 CA HIS A 729 -2.231 24.530 30.986 1.00 0.00 C -ATOM 923 HA HIS A 729 -2.701 23.770 31.610 1.00 0.00 H -ATOM 924 C HIS A 729 -2.972 24.559 29.655 1.00 0.00 C -ATOM 925 O HIS A 729 -2.421 24.976 28.658 1.00 0.00 O -ATOM 926 CB HIS A 729 -2.328 25.851 31.716 1.00 0.00 C -ATOM 927 HB3 HIS A 729 -1.714 25.792 32.615 1.00 0.00 H -ATOM 928 HB2 HIS A 729 -1.940 26.633 31.063 1.00 0.00 H -ATOM 929 CG HIS A 729 -3.717 26.221 32.119 1.00 0.00 C -ATOM 930 ND1 HIS A 729 -4.016 26.777 33.340 1.00 0.00 N -ATOM 931 CD2 HIS A 729 -4.893 26.156 31.442 1.00 0.00 C -ATOM 932 HD2 HIS A 729 -5.038 25.761 30.437 1.00 0.00 H -ATOM 933 CE1 HIS A 729 -5.308 27.046 33.401 1.00 0.00 C -ATOM 934 HE1 HIS A 729 -5.829 27.494 34.248 1.00 0.00 H -ATOM 935 NE2 HIS A 729 -5.861 26.678 32.256 1.00 0.00 N -ATOM 936 N VAL A 730 -4.224 24.116 29.653 1.00 0.00 N -ATOM 937 H VAL A 730 -4.650 23.811 30.552 1.00 0.00 H -ATOM 938 CA VAL A 730 -5.024 24.042 28.433 1.00 0.00 C -ATOM 939 HA VAL A 730 -4.513 23.255 27.878 1.00 0.00 H -ATOM 940 C VAL A 730 -5.016 25.262 27.563 1.00 0.00 C -ATOM 941 O VAL A 730 -4.893 25.178 26.339 1.00 0.00 O -ATOM 942 CB VAL A 730 -6.500 23.653 28.710 1.00 0.00 C -ATOM 943 HB VAL A 730 -6.536 22.583 28.915 1.00 0.00 H -ATOM 944 CG1 VAL A 730 -7.044 24.387 29.936 1.00 0.00 C -ATOM 945 HG11 VAL A 730 -6.445 24.127 30.809 1.00 0.00 H -ATOM 946 HG12 VAL A 730 -6.993 25.462 29.766 1.00 0.00 H -ATOM 947 HG13 VAL A 730 -8.080 24.093 30.104 1.00 0.00 H -ATOM 948 CG2 VAL A 730 -7.367 23.960 27.478 1.00 0.00 C -ATOM 949 HG21 VAL A 730 -7.313 25.025 27.254 1.00 0.00 H -ATOM 950 HG22 VAL A 730 -7.000 23.389 26.625 1.00 0.00 H -ATOM 951 HG23 VAL A 730 -8.401 23.683 27.685 1.00 0.00 H -ATOM 952 N ASP A 731 -5.249 26.399 28.185 1.00 0.00 N -ATOM 953 H ASP A 731 -5.420 26.400 29.211 1.00 0.00 H -ATOM 954 CA ASP A 731 -5.269 27.646 27.453 1.00 0.00 C -ATOM 955 HA ASP A 731 -5.927 27.601 26.585 1.00 0.00 H -ATOM 956 C ASP A 731 -3.856 27.909 26.971 1.00 0.00 C -ATOM 957 O ASP A 731 -3.663 28.213 25.810 1.00 0.00 O -ATOM 958 CB ASP A 731 -5.820 28.755 28.338 1.00 0.00 C -ATOM 959 HB3 ASP A 731 -5.142 28.907 29.178 1.00 0.00 H -ATOM 960 HB2 ASP A 731 -5.885 29.673 27.755 1.00 0.00 H -ATOM 961 CG ASP A 731 -7.194 28.415 28.872 1.00 0.00 C -ATOM 962 OD1 ASP A 731 -8.065 28.082 28.030 1.00 0.00 O -ATOM 963 OD2 ASP A 731 -7.373 28.414 30.122 1.00 0.00 O -ATOM 964 N ASP A 732 -2.862 27.675 27.814 1.00 0.00 N -ATOM 965 H ASP A 732 -3.069 27.357 28.782 1.00 0.00 H -ATOM 966 CA ASP A 732 -1.482 27.861 27.392 1.00 0.00 C -ATOM 967 HA ASP A 732 -1.355 28.897 27.077 1.00 0.00 H -ATOM 968 C ASP A 732 -1.177 26.934 26.232 1.00 0.00 C -ATOM 969 O ASP A 732 -0.398 27.268 25.351 1.00 0.00 O -ATOM 970 CB ASP A 732 -0.516 27.597 28.536 1.00 0.00 C -ATOM 971 HB3 ASP A 732 -0.799 26.666 29.027 1.00 0.00 H -ATOM 972 HB2 ASP A 732 0.491 27.501 28.130 1.00 0.00 H -ATOM 973 CG ASP A 732 -0.523 28.713 29.565 1.00 0.00 C -ATOM 974 OD1 ASP A 732 -1.171 29.755 29.313 1.00 0.00 O -ATOM 975 OD2 ASP A 732 0.116 28.562 30.631 1.00 0.00 O -ATOM 976 N GLN A 733 -1.819 25.776 26.213 1.00 0.00 N -ATOM 977 H GLN A 733 -2.475 25.541 26.985 1.00 0.00 H -ATOM 978 CA GLN A 733 -1.621 24.832 25.131 1.00 0.00 C -ATOM 979 HA GLN A 733 -0.563 24.580 25.052 1.00 0.00 H -ATOM 980 C GLN A 733 -2.183 25.485 23.884 1.00 0.00 C -ATOM 981 O GLN A 733 -1.531 25.558 22.854 1.00 0.00 O -ATOM 982 CB GLN A 733 -2.421 23.563 25.364 1.00 0.00 C -ATOM 983 HB3 GLN A 733 -3.366 23.849 25.825 1.00 0.00 H -ATOM 984 HB2 GLN A 733 -2.615 23.113 24.391 1.00 0.00 H -ATOM 985 CG GLN A 733 -1.791 22.511 26.234 1.00 0.00 C -ATOM 986 HG3 GLN A 733 -0.803 22.261 25.848 1.00 0.00 H -ATOM 987 HG2 GLN A 733 -1.697 22.887 27.253 1.00 0.00 H -ATOM 988 CD GLN A 733 -2.659 21.287 26.227 1.00 0.00 C -ATOM 989 OE1 GLN A 733 -3.252 20.925 27.238 1.00 0.00 O -ATOM 990 NE2 GLN A 733 -2.836 20.701 25.051 1.00 0.00 N -ATOM 991 HE21 GLN A 733 -3.498 19.904 24.962 1.00 0.00 H -ATOM 992 HE22 GLN A 733 -2.313 21.039 24.218 1.00 0.00 H -ATOM 993 N MET A 734 -3.416 25.952 23.993 1.00 0.00 N -ATOM 994 H MET A 734 -3.908 25.860 24.905 1.00 0.00 H -ATOM 995 CA MET A 734 -4.107 26.588 22.887 1.00 0.00 C -ATOM 996 HA MET A 734 -4.057 25.922 22.026 1.00 0.00 H -ATOM 997 C MET A 734 -3.448 27.904 22.453 1.00 0.00 C -ATOM 998 O MET A 734 -3.495 28.269 21.286 1.00 0.00 O -ATOM 999 CB MET A 734 -5.545 26.832 23.297 1.00 0.00 C -ATOM 1000 HB3 MET A 734 -5.847 26.029 23.969 1.00 0.00 H -ATOM 1001 HB2 MET A 734 -5.589 27.783 23.827 1.00 0.00 H -ATOM 1002 CG MET A 734 -6.530 26.884 22.158 1.00 0.00 C -ATOM 1003 HG3 MET A 734 -6.356 26.039 21.492 1.00 0.00 H -ATOM 1004 HG2 MET A 734 -6.395 27.814 21.606 1.00 0.00 H -ATOM 1005 SD MET A 734 -8.226 26.806 22.797 1.00 0.00 S -ATOM 1006 CE MET A 734 -7.929 26.442 24.662 1.00 0.00 C -ATOM 1007 HE1 MET A 734 -7.388 25.501 24.766 1.00 0.00 H -ATOM 1008 HE2 MET A 734 -7.343 27.250 25.100 1.00 0.00 H -ATOM 1009 HE3 MET A 734 -8.889 26.369 25.174 1.00 0.00 H -ATOM 1010 N ALA A 735 -2.779 28.577 23.384 1.00 0.00 N -ATOM 1011 H ALA A 735 -2.728 28.184 24.345 1.00 0.00 H -ATOM 1012 CA ALA A 735 -2.115 29.844 23.109 1.00 0.00 C -ATOM 1013 HA ALA A 735 -2.800 30.420 22.487 1.00 0.00 H -ATOM 1014 C ALA A 735 -0.820 29.686 22.305 1.00 0.00 C -ATOM 1015 O ALA A 735 -0.749 30.185 21.185 1.00 0.00 O -ATOM 1016 CB ALA A 735 -1.845 30.602 24.406 1.00 0.00 C -ATOM 1017 HB1 ALA A 735 -2.789 30.800 24.913 1.00 0.00 H -ATOM 1018 HB2 ALA A 735 -1.205 30.000 25.051 1.00 0.00 H -ATOM 1019 HB3 ALA A 735 -1.349 31.545 24.178 1.00 0.00 H -ATOM 1020 N VAL A 736 0.198 29.002 22.832 1.00 0.00 N -ATOM 1021 H VAL A 736 0.111 28.571 23.774 1.00 0.00 H -ATOM 1022 CA VAL A 736 1.441 28.866 22.066 1.00 0.00 C -ATOM 1023 HA VAL A 736 1.828 29.883 22.005 1.00 0.00 H -ATOM 1024 C VAL A 736 1.210 28.345 20.651 1.00 0.00 C -ATOM 1025 O VAL A 736 1.982 28.655 19.747 1.00 0.00 O -ATOM 1026 CB VAL A 736 2.502 28.000 22.764 1.00 0.00 C -ATOM 1027 HB VAL A 736 3.320 27.827 22.064 1.00 0.00 H -ATOM 1028 CG1 VAL A 736 3.048 28.714 23.978 1.00 0.00 C -ATOM 1029 HG11 VAL A 736 3.503 29.655 23.670 1.00 0.00 H -ATOM 1030 HG12 VAL A 736 2.235 28.913 24.677 1.00 0.00 H -ATOM 1031 HG13 VAL A 736 3.798 28.087 24.460 1.00 0.00 H -ATOM 1032 CG2 VAL A 736 1.924 26.673 23.156 1.00 0.00 C -ATOM 1033 HG21 VAL A 736 1.089 26.829 23.839 1.00 0.00 H -ATOM 1034 HG22 VAL A 736 1.573 26.153 22.264 1.00 0.00 H -ATOM 1035 HG23 VAL A 736 2.691 26.075 23.648 1.00 0.00 H -ATOM 1036 N ILE A 737 0.132 27.585 20.465 1.00 0.00 N -ATOM 1037 H ILE A 737 -0.478 27.367 21.279 1.00 0.00 H -ATOM 1038 CA ILE A 737 -0.220 27.048 19.150 1.00 0.00 C -ATOM 1039 HA ILE A 737 0.648 26.538 18.733 1.00 0.00 H -ATOM 1040 C ILE A 737 -0.623 28.195 18.241 1.00 0.00 C -ATOM 1041 O ILE A 737 0.022 28.449 17.222 1.00 0.00 O -ATOM 1042 CB ILE A 737 -1.361 25.992 19.250 1.00 0.00 C -ATOM 1043 HB ILE A 737 -2.105 26.352 19.960 1.00 0.00 H -ATOM 1044 CG1 ILE A 737 -0.781 24.654 19.749 1.00 0.00 C -ATOM 1045 HG13 ILE A 737 -0.350 24.134 18.894 1.00 0.00 H -ATOM 1046 HG12 ILE A 737 0.005 24.876 20.471 1.00 0.00 H -ATOM 1047 CG2 ILE A 737 -2.061 25.803 17.907 1.00 0.00 C -ATOM 1048 HG21 ILE A 737 -2.493 26.751 17.587 1.00 0.00 H -ATOM 1049 HG22 ILE A 737 -1.337 25.463 17.166 1.00 0.00 H -ATOM 1050 HG23 ILE A 737 -2.851 25.060 18.012 1.00 0.00 H -ATOM 1051 CD1 ILE A 737 -1.792 23.707 20.422 1.00 0.00 C -ATOM 1052 HD11 ILE A 737 -2.226 24.200 21.292 1.00 0.00 H -ATOM 1053 HD12 ILE A 737 -2.581 23.457 19.713 1.00 0.00 H -ATOM 1054 HD13 ILE A 737 -1.282 22.796 20.736 1.00 0.00 H -ATOM 1055 N GLN A 738 -1.657 28.926 18.636 1.00 0.00 N -ATOM 1056 H GLN A 738 -2.143 28.681 19.522 1.00 0.00 H -ATOM 1057 CA GLN A 738 -2.127 30.064 17.857 1.00 0.00 C -ATOM 1058 HA GLN A 738 -2.459 29.704 16.883 1.00 0.00 H -ATOM 1059 C GLN A 738 -0.999 31.078 17.575 1.00 0.00 C -ATOM 1060 O GLN A 738 -0.780 31.434 16.422 1.00 0.00 O -ATOM 1061 CB GLN A 738 -3.310 30.715 18.570 1.00 0.00 C -ATOM 1062 HB3 GLN A 738 -3.013 30.950 19.592 1.00 0.00 H -ATOM 1063 HB2 GLN A 738 -3.567 31.636 18.047 1.00 0.00 H -ATOM 1064 CG GLN A 738 -4.548 29.817 18.615 1.00 0.00 C -ATOM 1065 HG3 GLN A 738 -5.027 29.837 17.636 1.00 0.00 H -ATOM 1066 HG2 GLN A 738 -4.230 28.799 18.842 1.00 0.00 H -ATOM 1067 CD GLN A 738 -5.569 30.254 19.666 1.00 0.00 C -ATOM 1068 OE1 GLN A 738 -5.196 30.752 20.728 1.00 0.00 O -ATOM 1069 NE2 GLN A 738 -6.860 30.059 19.379 1.00 0.00 N -ATOM 1070 HE21 GLN A 738 -7.592 30.331 20.065 1.00 0.00 H -ATOM 1071 HE22 GLN A 738 -7.132 29.635 18.469 1.00 0.00 H -ATOM 1072 N TYR A 739 -0.206 31.428 18.586 1.00 0.00 N -ATOM 1073 H TYR A 739 -0.359 31.006 19.524 1.00 0.00 H -ATOM 1074 CA TYR A 739 0.867 32.387 18.402 1.00 0.00 C -ATOM 1075 HA TYR A 739 0.390 33.238 17.917 1.00 0.00 H -ATOM 1076 C TYR A 739 1.975 31.867 17.526 1.00 0.00 C -ATOM 1077 O TYR A 739 2.502 32.609 16.712 1.00 0.00 O -ATOM 1078 CB TYR A 739 1.496 32.821 19.735 1.00 0.00 C -ATOM 1079 HB3 TYR A 739 1.919 31.933 20.205 1.00 0.00 H -ATOM 1080 HB2 TYR A 739 2.296 33.526 19.508 1.00 0.00 H -ATOM 1081 CG TYR A 739 0.565 33.487 20.754 1.00 0.00 C -ATOM 1082 CD1 TYR A 739 -0.515 34.267 20.358 1.00 0.00 C -ATOM 1083 HD1 TYR A 739 -0.669 34.469 19.298 1.00 0.00 H -ATOM 1084 CD2 TYR A 739 0.736 33.272 22.126 1.00 0.00 C -ATOM 1085 HD2 TYR A 739 1.582 32.678 22.471 1.00 0.00 H -ATOM 1086 CE1 TYR A 739 -1.416 34.803 21.303 1.00 0.00 C -ATOM 1087 HE1 TYR A 739 -2.256 35.411 20.967 1.00 0.00 H -ATOM 1088 CE2 TYR A 739 -0.163 33.808 23.073 1.00 0.00 C -ATOM 1089 HE2 TYR A 739 -0.008 33.628 24.137 1.00 0.00 H -ATOM 1090 CZ TYR A 739 -1.239 34.561 22.649 1.00 0.00 C -ATOM 1091 OH TYR A 739 -2.178 35.014 23.556 1.00 0.00 O -ATOM 1092 HH TYR A 739 -2.873 35.533 23.078 1.00 0.00 H -ATOM 1093 N SER A 740 2.351 30.606 17.674 1.00 0.00 N -ATOM 1094 H SER A 740 1.863 29.982 18.348 1.00 0.00 H -ATOM 1095 CA SER A 740 3.459 30.114 16.875 1.00 0.00 C -ATOM 1096 HA SER A 740 3.971 31.025 16.564 1.00 0.00 H -ATOM 1097 C SER A 740 3.129 29.453 15.535 1.00 0.00 C -ATOM 1098 O SER A 740 4.024 29.259 14.706 1.00 0.00 O -ATOM 1099 CB SER A 740 4.390 29.231 17.727 1.00 0.00 C -ATOM 1100 HB3 SER A 740 4.731 29.811 18.585 1.00 0.00 H -ATOM 1101 HB2 SER A 740 5.249 28.944 17.120 1.00 0.00 H -ATOM 1102 OG SER A 740 3.756 28.053 18.200 1.00 0.00 O -ATOM 1103 HG SER A 740 2.979 28.300 18.761 1.00 0.00 H -ATOM 1104 N TRP A 741 1.851 29.268 15.236 1.00 0.00 N -ATOM 1105 H TRP A 741 1.111 29.609 15.883 1.00 0.00 H -ATOM 1106 CA TRP A 741 1.482 28.588 14.004 1.00 0.00 C -ATOM 1107 HA TRP A 741 1.964 27.616 14.106 1.00 0.00 H -ATOM 1108 C TRP A 741 2.099 29.060 12.681 1.00 0.00 C -ATOM 1109 O TRP A 741 2.578 28.250 11.891 1.00 0.00 O -ATOM 1110 CB TRP A 741 -0.034 28.446 13.918 1.00 0.00 C -ATOM 1111 HB3 TRP A 741 -0.255 27.480 13.463 1.00 0.00 H -ATOM 1112 HB2 TRP A 741 -0.430 28.467 14.933 1.00 0.00 H -ATOM 1113 CG TRP A 741 -0.733 29.487 13.136 1.00 0.00 C -ATOM 1114 CD1 TRP A 741 -0.889 30.806 13.458 1.00 0.00 C -ATOM 1115 HD1 TRP A 741 -0.523 31.271 14.373 1.00 0.00 H -ATOM 1116 CD2 TRP A 741 -1.365 29.303 11.870 1.00 0.00 C -ATOM 1117 NE1 TRP A 741 -1.574 31.462 12.462 1.00 0.00 N -ATOM 1118 HE1 TRP A 741 -1.818 32.473 12.459 1.00 0.00 H -ATOM 1119 CE2 TRP A 741 -1.882 30.562 11.473 1.00 0.00 C -ATOM 1120 CE3 TRP A 741 -1.558 28.194 11.031 1.00 0.00 C -ATOM 1121 HE3 TRP A 741 -1.185 27.210 11.317 1.00 0.00 H -ATOM 1122 CZ2 TRP A 741 -2.561 30.747 10.260 1.00 0.00 C -ATOM 1123 HZ2 TRP A 741 -2.939 31.726 9.965 1.00 0.00 H -ATOM 1124 CZ3 TRP A 741 -2.232 28.373 9.831 1.00 0.00 C -ATOM 1125 HZ3 TRP A 741 -2.379 27.522 9.166 1.00 0.00 H -ATOM 1126 CH2 TRP A 741 -2.731 29.642 9.458 1.00 0.00 C -ATOM 1127 HH2 TRP A 741 -3.263 29.748 8.513 1.00 0.00 H -ATOM 1128 N MET A 742 2.184 30.370 12.489 1.00 0.00 N -ATOM 1129 H MET A 742 1.838 31.010 13.232 1.00 0.00 H -ATOM 1130 CA MET A 742 2.749 30.945 11.265 1.00 0.00 C -ATOM 1131 HA MET A 742 2.156 30.570 10.431 1.00 0.00 H -ATOM 1132 C MET A 742 4.193 30.537 11.090 1.00 0.00 C -ATOM 1133 O MET A 742 4.602 30.115 10.017 1.00 0.00 O -ATOM 1134 CB MET A 742 2.689 32.476 11.309 1.00 0.00 C -ATOM 1135 HB3 MET A 742 1.657 32.769 11.504 1.00 0.00 H -ATOM 1136 HB2 MET A 742 3.323 32.816 12.128 1.00 0.00 H -ATOM 1137 CG MET A 742 3.147 33.177 10.032 1.00 0.00 C -ATOM 1138 HG3 MET A 742 4.108 32.758 9.733 1.00 0.00 H -ATOM 1139 HG2 MET A 742 3.266 34.239 10.244 1.00 0.00 H -ATOM 1140 SD MET A 742 1.988 32.993 8.658 1.00 0.00 S -ATOM 1141 CE MET A 742 0.678 34.132 9.133 1.00 0.00 C -ATOM 1142 HE1 MET A 742 0.261 33.825 10.092 1.00 0.00 H -ATOM 1143 HE2 MET A 742 1.087 35.139 9.219 1.00 0.00 H -ATOM 1144 HE3 MET A 742 -0.105 34.120 8.374 1.00 0.00 H -ATOM 1145 N GLY A 743 4.954 30.648 12.165 1.00 0.00 N -ATOM 1146 H GLY A 743 4.536 30.980 13.057 1.00 0.00 H -ATOM 1147 CA GLY A 743 6.367 30.312 12.117 1.00 0.00 C -ATOM 1148 HA3 GLY A 743 6.829 30.876 11.307 1.00 0.00 H -ATOM 1149 HA2 GLY A 743 6.823 30.600 13.064 1.00 0.00 H -ATOM 1150 C GLY A 743 6.630 28.836 11.886 1.00 0.00 C -ATOM 1151 O GLY A 743 7.660 28.461 11.322 1.00 0.00 O -ATOM 1152 N LEU A 744 5.734 27.983 12.372 1.00 0.00 N -ATOM 1153 H LEU A 744 4.912 28.342 12.899 1.00 0.00 H -ATOM 1154 CA LEU A 744 5.895 26.550 12.172 1.00 0.00 C -ATOM 1155 HA LEU A 744 6.896 26.239 12.470 1.00 0.00 H -ATOM 1156 C LEU A 744 5.632 26.287 10.708 1.00 0.00 C -ATOM 1157 O LEU A 744 6.375 25.574 10.048 1.00 0.00 O -ATOM 1158 CB LEU A 744 4.899 25.755 13.018 1.00 0.00 C -ATOM 1159 HB3 LEU A 744 3.927 26.242 12.935 1.00 0.00 H -ATOM 1160 HB2 LEU A 744 4.837 24.749 12.602 1.00 0.00 H -ATOM 1161 CG LEU A 744 5.234 25.626 14.514 1.00 0.00 C -ATOM 1162 HG LEU A 744 5.424 26.619 14.920 1.00 0.00 H -ATOM 1163 CD1 LEU A 744 4.063 25.022 15.275 1.00 0.00 C -ATOM 1164 HD11 LEU A 744 3.189 25.663 15.162 1.00 0.00 H -ATOM 1165 HD12 LEU A 744 3.843 24.032 14.875 1.00 0.00 H -ATOM 1166 HD13 LEU A 744 4.321 24.940 16.331 1.00 0.00 H -ATOM 1167 CD2 LEU A 744 6.484 24.771 14.689 1.00 0.00 C -ATOM 1168 HD21 LEU A 744 6.306 23.780 14.271 1.00 0.00 H -ATOM 1169 HD22 LEU A 744 7.320 25.241 14.170 1.00 0.00 H -ATOM 1170 HD23 LEU A 744 6.717 24.683 15.750 1.00 0.00 H -ATOM 1171 N MET A 745 4.566 26.886 10.200 1.00 0.00 N -ATOM 1172 H MET A 745 3.983 27.488 10.816 1.00 0.00 H -ATOM 1173 CA MET A 745 4.188 26.725 8.803 1.00 0.00 C -ATOM 1174 HA MET A 745 4.063 25.654 8.641 1.00 0.00 H -ATOM 1175 C MET A 745 5.254 27.179 7.822 1.00 0.00 C -ATOM 1176 O MET A 745 5.550 26.480 6.857 1.00 0.00 O -ATOM 1177 CB MET A 745 2.895 27.454 8.534 1.00 0.00 C -ATOM 1178 HB3 MET A 745 3.022 28.501 8.810 1.00 0.00 H -ATOM 1179 HB2 MET A 745 2.671 27.385 7.470 1.00 0.00 H -ATOM 1180 CG MET A 745 1.730 26.888 9.310 1.00 0.00 C -ATOM 1181 HG3 MET A 745 1.663 27.353 10.293 1.00 0.00 H -ATOM 1182 HG2 MET A 745 1.836 25.809 9.426 1.00 0.00 H -ATOM 1183 SD MET A 745 0.297 27.272 8.341 1.00 0.00 S -ATOM 1184 CE MET A 745 0.642 29.041 8.042 1.00 0.00 C -ATOM 1185 HE1 MET A 745 0.700 29.565 8.996 1.00 0.00 H -ATOM 1186 HE2 MET A 745 1.590 29.141 7.513 1.00 0.00 H -ATOM 1187 HE3 MET A 745 -0.159 29.469 7.439 1.00 0.00 H -ATOM 1188 N VAL A 746 5.830 28.341 8.095 1.00 0.00 N -ATOM 1189 H VAL A 746 5.511 28.862 8.937 1.00 0.00 H -ATOM 1190 CA VAL A 746 6.876 28.924 7.288 1.00 0.00 C -ATOM 1191 HA VAL A 746 6.517 29.010 6.262 1.00 0.00 H -ATOM 1192 C VAL A 746 8.107 28.051 7.345 1.00 0.00 C -ATOM 1193 O VAL A 746 8.749 27.786 6.333 1.00 0.00 O -ATOM 1194 CB VAL A 746 7.248 30.304 7.835 1.00 0.00 C -ATOM 1195 HB VAL A 746 7.547 30.209 8.879 1.00 0.00 H -ATOM 1196 CG1 VAL A 746 8.423 30.888 7.073 1.00 0.00 C -ATOM 1197 HG11 VAL A 746 9.284 30.227 7.172 1.00 0.00 H -ATOM 1198 HG12 VAL A 746 8.159 30.987 6.020 1.00 0.00 H -ATOM 1199 HG13 VAL A 746 8.668 31.869 7.481 1.00 0.00 H -ATOM 1200 CG2 VAL A 746 6.066 31.196 7.737 1.00 0.00 C -ATOM 1201 HG21 VAL A 746 5.763 31.282 6.693 1.00 0.00 H -ATOM 1202 HG22 VAL A 746 5.247 30.777 8.321 1.00 0.00 H -ATOM 1203 HG23 VAL A 746 6.323 32.182 8.125 1.00 0.00 H -ATOM 1204 N PHE A 747 8.439 27.607 8.541 1.00 0.00 N -ATOM 1205 H PHE A 747 7.854 27.865 9.361 1.00 0.00 H -ATOM 1206 CA PHE A 747 9.605 26.765 8.736 1.00 0.00 C -ATOM 1207 HA PHE A 747 10.458 27.282 8.297 1.00 0.00 H -ATOM 1208 C PHE A 747 9.468 25.401 8.030 1.00 0.00 C -ATOM 1209 O PHE A 747 10.398 24.916 7.384 1.00 0.00 O -ATOM 1210 CB PHE A 747 9.820 26.536 10.224 1.00 0.00 C -ATOM 1211 HB3 PHE A 747 9.622 27.471 10.748 1.00 0.00 H -ATOM 1212 HB2 PHE A 747 9.115 25.776 10.560 1.00 0.00 H -ATOM 1213 CG PHE A 747 11.209 26.082 10.573 1.00 0.00 C -ATOM 1214 CD1 PHE A 747 12.293 26.915 10.343 1.00 0.00 C -ATOM 1215 HD1 PHE A 747 12.134 27.886 9.874 1.00 0.00 H -ATOM 1216 CD2 PHE A 747 11.428 24.846 11.166 1.00 0.00 C -ATOM 1217 HD2 PHE A 747 10.586 24.179 11.350 1.00 0.00 H -ATOM 1218 CE1 PHE A 747 13.571 26.532 10.699 1.00 0.00 C -ATOM 1219 HE1 PHE A 747 14.412 27.200 10.513 1.00 0.00 H -ATOM 1220 CE2 PHE A 747 12.711 24.451 11.528 1.00 0.00 C -ATOM 1221 HE2 PHE A 747 12.872 23.479 11.995 1.00 0.00 H -ATOM 1222 CZ PHE A 747 13.785 25.297 11.293 1.00 0.00 C -ATOM 1223 HZ PHE A 747 14.793 24.992 11.574 1.00 0.00 H -ATOM 1224 N ALA A 748 8.309 24.774 8.171 1.00 0.00 N -ATOM 1225 H ALA A 748 7.547 25.215 8.725 1.00 0.00 H -ATOM 1226 CA ALA A 748 8.096 23.483 7.561 1.00 0.00 C -ATOM 1227 HA ALA A 748 8.877 22.781 7.852 1.00 0.00 H -ATOM 1228 C ALA A 748 8.114 23.683 6.054 1.00 0.00 C -ATOM 1229 O ALA A 748 8.831 22.973 5.344 1.00 0.00 O -ATOM 1230 CB ALA A 748 6.773 22.896 8.022 1.00 0.00 C -ATOM 1231 HB1 ALA A 748 6.786 22.781 9.106 1.00 0.00 H -ATOM 1232 HB2 ALA A 748 5.961 23.565 7.736 1.00 0.00 H -ATOM 1233 HB3 ALA A 748 6.626 21.923 7.554 1.00 0.00 H -ATOM 1234 N MET A 749 7.385 24.707 5.591 1.00 0.00 N -ATOM 1235 H MET A 749 6.868 25.294 6.277 1.00 0.00 H -ATOM 1236 CA MET A 749 7.277 25.044 4.167 1.00 0.00 C -ATOM 1237 HA MET A 749 6.779 24.221 3.653 1.00 0.00 H -ATOM 1238 C MET A 749 8.647 25.225 3.563 1.00 0.00 C -ATOM 1239 O MET A 749 8.934 24.711 2.491 1.00 0.00 O -ATOM 1240 CB MET A 749 6.444 26.303 3.982 1.00 0.00 C -ATOM 1241 HB3 MET A 749 5.484 26.150 4.475 1.00 0.00 H -ATOM 1242 HB2 MET A 749 6.969 27.130 4.460 1.00 0.00 H -ATOM 1243 CG MET A 749 6.179 26.682 2.542 1.00 0.00 C -ATOM 1244 HG3 MET A 749 5.228 27.213 2.496 1.00 0.00 H -ATOM 1245 HG2 MET A 749 6.112 25.767 1.953 1.00 0.00 H -ATOM 1246 SD MET A 749 7.444 27.726 1.821 1.00 0.00 S -ATOM 1247 CE MET A 749 7.553 28.954 3.104 1.00 0.00 C -ATOM 1248 HE1 MET A 749 6.584 29.437 3.226 1.00 0.00 H -ATOM 1249 HE2 MET A 749 7.842 28.475 4.040 1.00 0.00 H -ATOM 1250 HE3 MET A 749 8.300 29.699 2.830 1.00 0.00 H -ATOM 1251 N GLY A 750 9.507 25.929 4.278 1.00 0.00 N -ATOM 1252 H GLY A 750 9.208 26.338 5.186 1.00 0.00 H -ATOM 1253 CA GLY A 750 10.863 26.138 3.810 1.00 0.00 C -ATOM 1254 HA3 GLY A 750 10.830 26.602 2.824 1.00 0.00 H -ATOM 1255 HA2 GLY A 750 11.380 26.801 4.505 1.00 0.00 H -ATOM 1256 C GLY A 750 11.628 24.828 3.715 1.00 0.00 C -ATOM 1257 O GLY A 750 12.530 24.678 2.889 1.00 0.00 O -ATOM 1258 N TRP A 751 11.304 23.876 4.581 1.00 0.00 N -ATOM 1259 H TRP A 751 10.570 24.051 5.297 1.00 0.00 H -ATOM 1260 CA TRP A 751 11.976 22.588 4.528 1.00 0.00 C -ATOM 1261 HA TRP A 751 13.048 22.771 4.461 1.00 0.00 H -ATOM 1262 C TRP A 751 11.519 21.806 3.294 1.00 0.00 C -ATOM 1263 O TRP A 751 12.336 21.207 2.596 1.00 0.00 O -ATOM 1264 CB TRP A 751 11.717 21.776 5.787 1.00 0.00 C -ATOM 1265 HB3 TRP A 751 12.120 22.319 6.642 1.00 0.00 H -ATOM 1266 HB2 TRP A 751 10.641 21.655 5.909 1.00 0.00 H -ATOM 1267 CG TRP A 751 12.359 20.401 5.737 1.00 0.00 C -ATOM 1268 CD1 TRP A 751 11.736 19.213 5.461 1.00 0.00 C -ATOM 1269 HD1 TRP A 751 10.676 19.100 5.232 1.00 0.00 H -ATOM 1270 CD2 TRP A 751 13.743 20.085 5.968 1.00 0.00 C -ATOM 1271 NE1 TRP A 751 12.645 18.186 5.516 1.00 0.00 N -ATOM 1272 HE1 TRP A 751 12.430 17.182 5.352 1.00 0.00 H -ATOM 1273 CE2 TRP A 751 13.878 18.692 5.821 1.00 0.00 C -ATOM 1274 CE3 TRP A 751 14.877 20.841 6.275 1.00 0.00 C -ATOM 1275 HE3 TRP A 751 14.804 21.922 6.391 1.00 0.00 H -ATOM 1276 CZ2 TRP A 751 15.110 18.046 5.978 1.00 0.00 C -ATOM 1277 HZ2 TRP A 751 15.196 16.965 5.864 1.00 0.00 H -ATOM 1278 CZ3 TRP A 751 16.104 20.195 6.431 1.00 0.00 C -ATOM 1279 HZ3 TRP A 751 16.992 20.778 6.674 1.00 0.00 H -ATOM 1280 CH2 TRP A 751 16.208 18.817 6.280 1.00 0.00 C -ATOM 1281 HH2 TRP A 751 17.179 18.338 6.403 1.00 0.00 H -ATOM 1282 N ARG A 752 10.214 21.792 3.037 1.00 0.00 N -ATOM 1283 H ARG A 752 9.560 22.281 3.682 1.00 0.00 H -ATOM 1284 CA ARG A 752 9.683 21.100 1.862 1.00 0.00 C -ATOM 1285 HA ARG A 752 9.969 20.051 1.933 1.00 0.00 H -ATOM 1286 C ARG A 752 10.257 21.740 0.602 1.00 0.00 C -ATOM 1287 O ARG A 752 10.522 21.048 -0.380 1.00 0.00 O -ATOM 1288 CB ARG A 752 8.163 21.186 1.800 1.00 0.00 C -ATOM 1289 HB3 ARG A 752 7.881 22.238 1.836 1.00 0.00 H -ATOM 1290 HB2 ARG A 752 7.837 20.756 0.853 1.00 0.00 H -ATOM 1291 CG ARG A 752 7.441 20.465 2.920 1.00 0.00 C -ATOM 1292 HG3 ARG A 752 7.815 19.444 2.990 1.00 0.00 H -ATOM 1293 HG2 ARG A 752 7.626 20.984 3.860 1.00 0.00 H -ATOM 1294 CD ARG A 752 5.938 20.434 2.649 1.00 0.00 C -ATOM 1295 HD3 ARG A 752 5.439 19.948 3.487 1.00 0.00 H -ATOM 1296 HD2 ARG A 752 5.756 19.862 1.739 1.00 0.00 H -ATOM 1297 NE ARG A 752 5.382 21.773 2.483 1.00 0.00 N -ATOM 1298 HE ARG A 752 5.264 22.131 1.514 1.00 0.00 H -ATOM 1299 CZ ARG A 752 5.013 22.572 3.490 1.00 0.00 C -ATOM 1300 NH1 ARG A 752 5.131 22.175 4.764 1.00 0.00 N -ATOM 1301 HH11 ARG A 752 5.514 21.233 4.982 1.00 0.00 H -ATOM 1302 HH12 ARG A 752 4.839 22.809 5.535 1.00 0.00 H -ATOM 1303 NH2 ARG A 752 4.536 23.785 3.223 1.00 0.00 N -ATOM 1304 HH21 ARG A 752 4.452 24.105 2.237 1.00 0.00 H -ATOM 1305 HH22 ARG A 752 4.247 24.413 4.000 1.00 0.00 H -ATOM 1306 N SER A 753 10.441 23.058 0.624 1.00 0.00 N -ATOM 1307 H SER A 753 10.182 23.603 1.471 1.00 0.00 H -ATOM 1308 CA SER A 753 10.998 23.733 -0.523 1.00 0.00 C -ATOM 1309 HA SER A 753 10.456 23.371 -1.397 1.00 0.00 H -ATOM 1310 C SER A 753 12.453 23.400 -0.707 1.00 0.00 C -ATOM 1311 O SER A 753 12.973 23.538 -1.807 1.00 0.00 O -ATOM 1312 CB SER A 753 10.798 25.233 -0.444 1.00 0.00 C -ATOM 1313 HB3 SER A 753 11.274 25.711 -1.300 1.00 0.00 H -ATOM 1314 HB2 SER A 753 11.242 25.613 0.476 1.00 0.00 H -ATOM 1315 OG SER A 753 9.414 25.514 -0.453 1.00 0.00 O -ATOM 1316 HG SER A 753 8.985 25.078 0.325 1.00 0.00 H -ATOM 1317 N PHE A 754 13.113 22.938 0.343 1.00 0.00 N -ATOM 1318 H PHE A 754 12.626 22.833 1.256 1.00 0.00 H -ATOM 1319 CA PHE A 754 14.523 22.575 0.224 1.00 0.00 C -ATOM 1320 HA PHE A 754 14.960 23.275 -0.488 1.00 0.00 H -ATOM 1321 C PHE A 754 14.709 21.153 -0.316 1.00 0.00 C -ATOM 1322 O PHE A 754 15.524 20.919 -1.211 1.00 0.00 O -ATOM 1323 CB PHE A 754 15.242 22.702 1.564 1.00 0.00 C -ATOM 1324 HB3 PHE A 754 15.250 23.753 1.852 1.00 0.00 H -ATOM 1325 HB2 PHE A 754 14.689 22.127 2.307 1.00 0.00 H -ATOM 1326 CG PHE A 754 16.668 22.204 1.540 1.00 0.00 C -ATOM 1327 CD1 PHE A 754 17.596 22.746 0.645 1.00 0.00 C -ATOM 1328 HD1 PHE A 754 17.279 23.519 -0.055 1.00 0.00 H -ATOM 1329 CD2 PHE A 754 17.086 21.202 2.423 1.00 0.00 C -ATOM 1330 HD2 PHE A 754 16.367 20.762 3.114 1.00 0.00 H -ATOM 1331 CE1 PHE A 754 18.923 22.311 0.635 1.00 0.00 C -ATOM 1332 HE1 PHE A 754 19.636 22.744 -0.066 1.00 0.00 H -ATOM 1333 CE2 PHE A 754 18.411 20.757 2.432 1.00 0.00 C -ATOM 1334 HE2 PHE A 754 18.726 19.984 3.133 1.00 0.00 H -ATOM 1335 CZ PHE A 754 19.333 21.313 1.532 1.00 0.00 C -ATOM 1336 HZ PHE A 754 20.368 20.970 1.530 1.00 0.00 H -ATOM 1337 N THR A 755 13.948 20.208 0.225 1.00 0.00 N -ATOM 1338 H THR A 755 13.264 20.466 0.965 1.00 0.00 H -ATOM 1339 CA THR A 755 14.053 18.818 -0.197 1.00 0.00 C -ATOM 1340 HA THR A 755 15.115 18.695 -0.411 1.00 0.00 H -ATOM 1341 C THR A 755 13.287 18.474 -1.478 1.00 0.00 C -ATOM 1342 O THR A 755 13.554 17.431 -2.068 1.00 0.00 O -ATOM 1343 CB THR A 755 13.596 17.830 0.934 1.00 0.00 C -ATOM 1344 HB THR A 755 13.745 16.814 0.570 1.00 0.00 H -ATOM 1345 OG1 THR A 755 12.221 18.055 1.245 1.00 0.00 O -ATOM 1346 HG1 THR A 755 12.103 18.987 1.556 1.00 0.00 H -ATOM 1347 CG2 THR A 755 14.405 18.033 2.190 1.00 0.00 C -ATOM 1348 HG21 THR A 755 14.265 19.052 2.550 1.00 0.00 H -ATOM 1349 HG22 THR A 755 14.073 17.328 2.952 1.00 0.00 H -ATOM 1350 HG23 THR A 755 15.460 17.865 1.972 1.00 0.00 H -ATOM 1351 N ASN A 756 12.360 19.336 -1.911 1.00 0.00 N -ATOM 1352 H ASN A 756 12.217 20.230 -1.399 1.00 0.00 H -ATOM 1353 CA ASN A 756 11.539 19.044 -3.097 1.00 0.00 C -ATOM 1354 HA ASN A 756 11.855 18.027 -3.331 1.00 0.00 H -ATOM 1355 C ASN A 756 11.821 19.826 -4.394 1.00 0.00 C -ATOM 1356 O ASN A 756 11.705 19.257 -5.481 1.00 0.00 O -ATOM 1357 CB ASN A 756 10.019 19.124 -2.769 1.00 0.00 C -ATOM 1358 HB3 ASN A 756 9.828 20.066 -2.254 1.00 0.00 H -ATOM 1359 HB2 ASN A 756 9.464 19.105 -3.707 1.00 0.00 H -ATOM 1360 CG ASN A 756 9.504 17.959 -1.869 1.00 0.00 C -ATOM 1361 OD1 ASN A 756 10.123 16.909 -1.763 1.00 0.00 O -ATOM 1362 ND2 ASN A 756 8.354 18.169 -1.234 1.00 0.00 N -ATOM 1363 HD21 ASN A 756 7.954 17.428 -0.624 1.00 0.00 H -ATOM 1364 HD22 ASN A 756 7.855 19.074 -1.348 1.00 0.00 H -ATOM 1365 N VAL A 757 12.155 21.115 -4.293 1.00 0.00 N -ATOM 1366 H VAL A 757 12.226 21.539 -3.346 1.00 0.00 H -ATOM 1367 CA VAL A 757 12.427 21.962 -5.470 1.00 0.00 C -ATOM 1368 HA VAL A 757 12.543 21.259 -6.295 1.00 0.00 H -ATOM 1369 C VAL A 757 13.732 22.776 -5.370 1.00 0.00 C -ATOM 1370 O VAL A 757 13.903 23.786 -6.053 1.00 0.00 O -ATOM 1371 CB VAL A 757 11.239 22.943 -5.756 1.00 0.00 C -ATOM 1372 HB VAL A 757 11.444 23.450 -6.699 1.00 0.00 H -ATOM 1373 CG1 VAL A 757 9.927 22.177 -5.892 1.00 0.00 C -ATOM 1374 HG11 VAL A 757 10.005 21.468 -6.716 1.00 0.00 H -ATOM 1375 HG12 VAL A 757 9.725 21.638 -4.966 1.00 0.00 H -ATOM 1376 HG13 VAL A 757 9.117 22.879 -6.090 1.00 0.00 H -ATOM 1377 CG2 VAL A 757 11.125 23.998 -4.660 1.00 0.00 C -ATOM 1378 HG21 VAL A 757 10.951 23.508 -3.702 1.00 0.00 H -ATOM 1379 HG22 VAL A 757 12.050 24.573 -4.613 1.00 0.00 H -ATOM 1380 HG23 VAL A 757 10.293 24.665 -4.885 1.00 0.00 H -ATOM 1381 N ASN A 758 14.676 22.274 -4.582 1.00 0.00 N -ATOM 1382 H ASN A 758 14.483 21.370 -4.106 1.00 0.00 H -ATOM 1383 CA ASN A 758 15.977 22.917 -4.340 1.00 0.00 C -ATOM 1384 HA ASN A 758 16.288 22.533 -3.369 1.00 0.00 H -ATOM 1385 C ASN A 758 15.937 24.448 -4.140 1.00 0.00 C -ATOM 1386 O ASN A 758 16.674 25.191 -4.802 1.00 0.00 O -ATOM 1387 CB ASN A 758 17.026 22.499 -5.388 1.00 0.00 C -ATOM 1388 HB3 ASN A 758 16.764 21.512 -5.770 1.00 0.00 H -ATOM 1389 HB2 ASN A 758 17.010 23.220 -6.205 1.00 0.00 H -ATOM 1390 CG ASN A 758 18.440 22.442 -4.813 1.00 0.00 C -ATOM 1391 OD1 ASN A 758 18.681 22.852 -3.679 1.00 0.00 O -ATOM 1392 ND2 ASN A 758 19.369 21.908 -5.590 1.00 0.00 N -ATOM 1393 HD21 ASN A 758 20.347 21.822 -5.247 1.00 0.00 H -ATOM 1394 HD22 ASN A 758 19.121 21.574 -6.543 1.00 0.00 H -ATOM 1395 N SER A 759 14.999 24.879 -3.281 1.00 0.00 N -ATOM 1396 H SER A 759 14.372 24.154 -2.877 1.00 0.00 H -ATOM 1397 CA SER A 759 14.763 26.267 -2.849 1.00 0.00 C -ATOM 1398 HA SER A 759 13.830 26.134 -2.302 1.00 0.00 H -ATOM 1399 C SER A 759 14.379 27.351 -3.849 1.00 0.00 C -ATOM 1400 O SER A 759 14.067 28.472 -3.443 1.00 0.00 O -ATOM 1401 CB SER A 759 15.939 26.770 -1.995 1.00 0.00 C -ATOM 1402 HB3 SER A 759 15.767 27.815 -1.737 1.00 0.00 H -ATOM 1403 HB2 SER A 759 16.858 26.687 -2.575 1.00 0.00 H -ATOM 1404 OG SER A 759 16.080 26.018 -0.799 1.00 0.00 O -ATOM 1405 HG SER A 759 15.251 26.094 -0.263 1.00 0.00 H -ATOM 1406 N ARG A 760 14.388 27.045 -5.140 1.00 0.00 N -ATOM 1407 H ARG A 760 14.641 26.086 -5.452 1.00 0.00 H -ATOM 1408 CA ARG A 760 14.041 28.064 -6.109 1.00 0.00 C -ATOM 1409 HA ARG A 760 14.578 28.972 -5.836 1.00 0.00 H -ATOM 1410 C ARG A 760 12.551 28.416 -6.070 1.00 0.00 C -ATOM 1411 O ARG A 760 12.186 29.563 -6.345 1.00 0.00 O -ATOM 1412 CB ARG A 760 14.492 27.658 -7.507 1.00 0.00 C -ATOM 1413 HB3 ARG A 760 14.080 28.367 -8.226 1.00 0.00 H -ATOM 1414 HB2 ARG A 760 15.581 27.694 -7.546 1.00 0.00 H -ATOM 1415 CG ARG A 760 14.046 26.283 -7.883 1.00 0.00 C -ATOM 1416 HG3 ARG A 760 14.770 25.564 -7.498 1.00 0.00 H -ATOM 1417 HG2 ARG A 760 13.073 26.096 -7.428 1.00 0.00 H -ATOM 1418 CD ARG A 760 13.925 26.094 -9.381 1.00 0.00 C -ATOM 1419 HD3 ARG A 760 14.918 26.049 -9.827 1.00 0.00 H -ATOM 1420 HD2 ARG A 760 13.372 26.928 -9.813 1.00 0.00 H -ATOM 1421 NE ARG A 760 13.214 24.847 -9.635 1.00 0.00 N -ATOM 1422 HE ARG A 760 12.314 24.898 -10.154 1.00 0.00 H -ATOM 1423 CZ ARG A 760 13.642 23.646 -9.246 1.00 0.00 C -ATOM 1424 NH1 ARG A 760 14.801 23.528 -8.597 1.00 0.00 N -ATOM 1425 HH11 ARG A 760 15.372 24.373 -8.394 1.00 0.00 H -ATOM 1426 HH12 ARG A 760 15.134 22.591 -8.294 1.00 0.00 H -ATOM 1427 NH2 ARG A 760 12.853 22.584 -9.388 1.00 0.00 N -ATOM 1428 HH21 ARG A 760 11.905 22.692 -9.802 1.00 0.00 H -ATOM 1429 HH22 ARG A 760 13.184 21.646 -9.085 1.00 0.00 H -ATOM 1430 N MET A 761 11.701 27.453 -5.707 1.00 0.00 N -ATOM 1431 H MET A 761 12.072 26.508 -5.479 1.00 0.00 H -ATOM 1432 CA MET A 761 10.256 27.695 -5.622 1.00 0.00 C -ATOM 1433 HA MET A 761 10.088 28.744 -5.867 1.00 0.00 H -ATOM 1434 C MET A 761 9.744 27.418 -4.222 1.00 0.00 C -ATOM 1435 O MET A 761 10.451 26.824 -3.412 1.00 0.00 O -ATOM 1436 CB MET A 761 9.496 26.827 -6.612 1.00 0.00 C -ATOM 1437 HB3 MET A 761 9.659 25.781 -6.353 1.00 0.00 H -ATOM 1438 HB2 MET A 761 8.434 27.058 -6.532 1.00 0.00 H -ATOM 1439 CG MET A 761 9.926 27.040 -8.034 1.00 0.00 C -ATOM 1440 HG3 MET A 761 10.984 26.799 -8.133 1.00 0.00 H -ATOM 1441 HG2 MET A 761 9.764 28.082 -8.310 1.00 0.00 H -ATOM 1442 SD MET A 761 8.981 25.994 -9.104 1.00 0.00 S -ATOM 1443 CE MET A 761 10.000 24.558 -9.111 1.00 0.00 C -ATOM 1444 HE1 MET A 761 10.985 24.815 -9.500 1.00 0.00 H -ATOM 1445 HE2 MET A 761 10.098 24.178 -8.094 1.00 0.00 H -ATOM 1446 HE3 MET A 761 9.546 23.795 -9.743 1.00 0.00 H -ATOM 1447 N LEU A 762 8.526 27.860 -3.930 1.00 0.00 N -ATOM 1448 H LEU A 762 7.978 28.371 -4.651 1.00 0.00 H -ATOM 1449 CA LEU A 762 7.949 27.638 -2.614 1.00 0.00 C -ATOM 1450 HA LEU A 762 8.758 27.323 -1.954 1.00 0.00 H -ATOM 1451 C LEU A 762 6.902 26.548 -2.664 1.00 0.00 C -ATOM 1452 O LEU A 762 5.821 26.739 -3.243 1.00 0.00 O -ATOM 1453 CB LEU A 762 7.344 28.912 -2.048 1.00 0.00 C -ATOM 1454 HB3 LEU A 762 6.586 29.274 -2.743 1.00 0.00 H -ATOM 1455 HB2 LEU A 762 6.876 28.678 -1.092 1.00 0.00 H -ATOM 1456 CG LEU A 762 8.366 30.021 -1.827 1.00 0.00 C -ATOM 1457 HG LEU A 762 8.789 30.330 -2.783 1.00 0.00 H -ATOM 1458 CD1 LEU A 762 7.670 31.178 -1.169 1.00 0.00 C -ATOM 1459 HD11 LEU A 762 6.867 31.532 -1.815 1.00 0.00 H -ATOM 1460 HD12 LEU A 762 7.255 30.855 -0.214 1.00 0.00 H -ATOM 1461 HD13 LEU A 762 8.385 31.983 -1.002 1.00 0.00 H -ATOM 1462 CD2 LEU A 762 9.498 29.530 -0.952 1.00 0.00 C -ATOM 1463 HD21 LEU A 762 9.100 29.217 0.013 1.00 0.00 H -ATOM 1464 HD22 LEU A 762 9.989 28.686 -1.435 1.00 0.00 H -ATOM 1465 HD23 LEU A 762 10.218 30.335 -0.805 1.00 0.00 H -ATOM 1466 N TYR A 763 7.245 25.419 -2.033 1.00 0.00 N -ATOM 1467 H TYR A 763 8.168 25.399 -1.555 1.00 0.00 H -ATOM 1468 CA TYR A 763 6.422 24.209 -1.963 1.00 0.00 C -ATOM 1469 HA TYR A 763 5.853 24.160 -2.892 1.00 0.00 H -ATOM 1470 C TYR A 763 5.412 24.241 -0.839 1.00 0.00 C -ATOM 1471 O TYR A 763 5.504 23.487 0.129 1.00 0.00 O -ATOM 1472 CB TYR A 763 7.323 22.968 -1.831 1.00 0.00 C -ATOM 1473 HB3 TYR A 763 8.228 23.148 -2.412 1.00 0.00 H -ATOM 1474 HB2 TYR A 763 7.585 22.855 -0.779 1.00 0.00 H -ATOM 1475 CG TYR A 763 6.713 21.644 -2.309 1.00 0.00 C -ATOM 1476 CD1 TYR A 763 5.701 21.002 -1.579 1.00 0.00 C -ATOM 1477 HD1 TYR A 763 5.323 21.467 -0.669 1.00 0.00 H -ATOM 1478 CD2 TYR A 763 7.174 21.015 -3.476 1.00 0.00 C -ATOM 1479 HD2 TYR A 763 7.958 21.489 -4.067 1.00 0.00 H -ATOM 1480 CE1 TYR A 763 5.164 19.770 -1.998 1.00 0.00 C -ATOM 1481 HE1 TYR A 763 4.379 19.289 -1.414 1.00 0.00 H -ATOM 1482 CE2 TYR A 763 6.639 19.778 -3.897 1.00 0.00 C -ATOM 1483 HE2 TYR A 763 7.011 19.300 -4.803 1.00 0.00 H -ATOM 1484 CZ TYR A 763 5.634 19.173 -3.149 1.00 0.00 C -ATOM 1485 OH TYR A 763 5.066 17.995 -3.558 1.00 0.00 O -ATOM 1486 HH TYR A 763 4.375 17.719 -2.905 1.00 0.00 H -ATOM 1487 N PHE A 764 4.445 25.130 -0.958 1.00 0.00 N -ATOM 1488 H PHE A 764 4.429 25.770 -1.778 1.00 0.00 H -ATOM 1489 CA PHE A 764 3.409 25.221 0.042 1.00 0.00 C -ATOM 1490 HA PHE A 764 3.848 25.453 1.012 1.00 0.00 H -ATOM 1491 C PHE A 764 2.681 23.864 0.164 1.00 0.00 C -ATOM 1492 O PHE A 764 2.506 23.333 1.263 1.00 0.00 O -ATOM 1493 CB PHE A 764 2.441 26.350 -0.321 1.00 0.00 C -ATOM 1494 HB3 PHE A 764 2.099 26.197 -1.344 1.00 0.00 H -ATOM 1495 HB2 PHE A 764 1.588 26.306 0.356 1.00 0.00 H -ATOM 1496 CG PHE A 764 3.048 27.695 -0.225 1.00 0.00 C -ATOM 1497 CD1 PHE A 764 3.571 28.142 0.976 1.00 0.00 C -ATOM 1498 HD1 PHE A 764 3.510 27.504 1.858 1.00 0.00 H -ATOM 1499 CD2 PHE A 764 3.129 28.510 -1.328 1.00 0.00 C -ATOM 1500 HD2 PHE A 764 2.721 28.174 -2.281 1.00 0.00 H -ATOM 1501 CE1 PHE A 764 4.169 29.384 1.076 1.00 0.00 C -ATOM 1502 HE1 PHE A 764 4.577 29.719 2.029 1.00 0.00 H -ATOM 1503 CE2 PHE A 764 3.727 29.759 -1.236 1.00 0.00 C -ATOM 1504 HE2 PHE A 764 3.787 30.398 -2.117 1.00 0.00 H -ATOM 1505 CZ PHE A 764 4.247 30.196 -0.033 1.00 0.00 C -ATOM 1506 HZ PHE A 764 4.716 31.177 0.038 1.00 0.00 H -ATOM 1507 N ALA A 765 2.314 23.286 -0.978 1.00 0.00 N -ATOM 1508 H ALA A 765 2.539 23.772 -1.869 1.00 0.00 H -ATOM 1509 CA ALA A 765 1.608 21.999 -1.049 1.00 0.00 C -ATOM 1510 HA ALA A 765 1.900 21.351 -0.223 1.00 0.00 H -ATOM 1511 C ALA A 765 1.969 21.343 -2.386 1.00 0.00 C -ATOM 1512 O ALA A 765 2.449 22.022 -3.289 1.00 0.00 O -ATOM 1513 CB ALA A 765 0.105 22.232 -0.959 1.00 0.00 C -ATOM 1514 HB1 ALA A 765 -0.130 22.722 -0.014 1.00 0.00 H -ATOM 1515 HB2 ALA A 765 -0.213 22.866 -1.787 1.00 0.00 H -ATOM 1516 HB3 ALA A 765 -0.414 21.275 -1.012 1.00 0.00 H -ATOM 1517 N PRO A 766 1.766 20.021 -2.533 1.00 0.00 N -ATOM 1518 CA PRO A 766 2.120 19.407 -3.813 1.00 0.00 C -ATOM 1519 HA PRO A 766 3.170 19.533 -4.077 1.00 0.00 H -ATOM 1520 C PRO A 766 1.359 20.040 -4.970 1.00 0.00 C -ATOM 1521 O PRO A 766 1.893 20.144 -6.082 1.00 0.00 O -ATOM 1522 CB PRO A 766 1.721 17.949 -3.604 1.00 0.00 C -ATOM 1523 HB3 PRO A 766 0.685 17.780 -3.899 1.00 0.00 H -ATOM 1524 HB2 PRO A 766 2.372 17.280 -4.167 1.00 0.00 H -ATOM 1525 CG PRO A 766 1.899 17.761 -2.133 1.00 0.00 C -ATOM 1526 HG3 PRO A 766 1.398 16.860 -1.779 1.00 0.00 H -ATOM 1527 HG2 PRO A 766 2.953 17.722 -1.857 1.00 0.00 H -ATOM 1528 CD PRO A 766 1.237 19.002 -1.617 1.00 0.00 C -ATOM 1529 HD3 PRO A 766 1.524 19.207 -0.585 1.00 0.00 H -ATOM 1530 HD2 PRO A 766 0.151 18.931 -1.684 1.00 0.00 H -ATOM 1531 N ASP A 767 0.128 20.479 -4.707 1.00 0.00 N -ATOM 1532 H ASP A 767 -0.263 20.364 -3.750 1.00 0.00 H -ATOM 1533 CA ASP A 767 -0.681 21.119 -5.743 1.00 0.00 C -ATOM 1534 HA ASP A 767 -0.156 20.937 -6.681 1.00 0.00 H -ATOM 1535 C ASP A 767 -0.774 22.666 -5.645 1.00 0.00 C -ATOM 1536 O ASP A 767 -1.618 23.311 -6.292 1.00 0.00 O -ATOM 1537 CB ASP A 767 -2.073 20.485 -5.785 1.00 0.00 C -ATOM 1538 HB3 ASP A 767 -2.640 20.943 -6.595 1.00 0.00 H -ATOM 1539 HB2 ASP A 767 -1.964 19.418 -5.977 1.00 0.00 H -ATOM 1540 CG ASP A 767 -2.833 20.667 -4.505 1.00 0.00 C -ATOM 1541 OD1 ASP A 767 -2.205 20.619 -3.431 1.00 0.00 O -ATOM 1542 OD2 ASP A 767 -4.071 20.839 -4.573 1.00 0.00 O -ATOM 1543 N LEU A 768 0.148 23.255 -4.893 1.00 0.00 N -ATOM 1544 H LEU A 768 0.858 22.666 -4.413 1.00 0.00 H -ATOM 1545 CA LEU A 768 0.196 24.697 -4.719 1.00 0.00 C -ATOM 1546 HA LEU A 768 -0.259 25.198 -5.573 1.00 0.00 H -ATOM 1547 C LEU A 768 1.658 25.080 -4.564 1.00 0.00 C -ATOM 1548 O LEU A 768 2.141 25.212 -3.436 1.00 0.00 O -ATOM 1549 CB LEU A 768 -0.574 25.108 -3.450 1.00 0.00 C -ATOM 1550 HB3 LEU A 768 -1.606 24.787 -3.595 1.00 0.00 H -ATOM 1551 HB2 LEU A 768 -0.134 24.549 -2.625 1.00 0.00 H -ATOM 1552 CG LEU A 768 -0.631 26.580 -3.002 1.00 0.00 C -ATOM 1553 HG LEU A 768 0.384 26.951 -2.858 1.00 0.00 H -ATOM 1554 CD1 LEU A 768 -1.328 27.390 -4.062 1.00 0.00 C -ATOM 1555 HD11 LEU A 768 -0.776 27.312 -4.999 1.00 0.00 H -ATOM 1556 HD12 LEU A 768 -2.340 27.009 -4.202 1.00 0.00 H -ATOM 1557 HD13 LEU A 768 -1.371 28.434 -3.750 1.00 0.00 H -ATOM 1558 CD2 LEU A 768 -1.376 26.701 -1.702 1.00 0.00 C -ATOM 1559 HD21 LEU A 768 -2.392 26.328 -1.831 1.00 0.00 H -ATOM 1560 HD22 LEU A 768 -0.867 26.115 -0.937 1.00 0.00 H -ATOM 1561 HD23 LEU A 768 -1.408 27.748 -1.399 1.00 0.00 H -ATOM 1562 N VAL A 769 2.387 25.176 -5.676 1.00 0.00 N -ATOM 1563 H VAL A 769 1.950 24.965 -6.596 1.00 0.00 H -ATOM 1564 CA VAL A 769 3.796 25.575 -5.620 1.00 0.00 C -ATOM 1565 HA VAL A 769 4.080 25.611 -4.568 1.00 0.00 H -ATOM 1566 C VAL A 769 3.954 26.933 -6.287 1.00 0.00 C -ATOM 1567 O VAL A 769 3.352 27.190 -7.335 1.00 0.00 O -ATOM 1568 CB VAL A 769 4.728 24.572 -6.321 1.00 0.00 C -ATOM 1569 HB VAL A 769 4.455 24.504 -7.374 1.00 0.00 H -ATOM 1570 CG1 VAL A 769 6.181 25.049 -6.216 1.00 0.00 C -ATOM 1571 HG11 VAL A 769 6.277 26.024 -6.693 1.00 0.00 H -ATOM 1572 HG12 VAL A 769 6.461 25.128 -5.166 1.00 0.00 H -ATOM 1573 HG13 VAL A 769 6.834 24.333 -6.715 1.00 0.00 H -ATOM 1574 CG2 VAL A 769 4.581 23.208 -5.687 1.00 0.00 C -ATOM 1575 HG21 VAL A 769 4.845 23.269 -4.631 1.00 0.00 H -ATOM 1576 HG22 VAL A 769 3.549 22.872 -5.786 1.00 0.00 H -ATOM 1577 HG23 VAL A 769 5.244 22.502 -6.188 1.00 0.00 H -ATOM 1578 N PHE A 770 4.734 27.808 -5.668 1.00 0.00 N -ATOM 1579 H PHE A 770 5.202 27.547 -4.777 1.00 0.00 H -ATOM 1580 CA PHE A 770 4.935 29.124 -6.230 1.00 0.00 C -ATOM 1581 HA PHE A 770 4.088 29.252 -6.905 1.00 0.00 H -ATOM 1582 C PHE A 770 6.179 29.276 -7.044 1.00 0.00 C -ATOM 1583 O PHE A 770 7.291 29.151 -6.531 1.00 0.00 O -ATOM 1584 CB PHE A 770 4.939 30.197 -5.147 1.00 0.00 C -ATOM 1585 HB3 PHE A 770 5.438 29.795 -4.265 1.00 0.00 H -ATOM 1586 HB2 PHE A 770 5.496 31.058 -5.517 1.00 0.00 H -ATOM 1587 CG PHE A 770 3.582 30.650 -4.753 1.00 0.00 C -ATOM 1588 CD1 PHE A 770 2.489 29.803 -4.896 1.00 0.00 C -ATOM 1589 HD1 PHE A 770 2.633 28.806 -5.313 1.00 0.00 H -ATOM 1590 CD2 PHE A 770 3.391 31.916 -4.220 1.00 0.00 C -ATOM 1591 HD2 PHE A 770 4.241 32.589 -4.103 1.00 0.00 H -ATOM 1592 CE1 PHE A 770 1.216 30.208 -4.515 1.00 0.00 C -ATOM 1593 HE1 PHE A 770 0.368 29.533 -4.635 1.00 0.00 H -ATOM 1594 CE2 PHE A 770 2.123 32.332 -3.834 1.00 0.00 C -ATOM 1595 HE2 PHE A 770 1.982 33.329 -3.416 1.00 0.00 H -ATOM 1596 CZ PHE A 770 1.027 31.476 -3.980 1.00 0.00 C -ATOM 1597 HZ PHE A 770 0.032 31.801 -3.676 1.00 0.00 H -ATOM 1598 N ASN A 771 5.988 29.397 -8.345 1.00 0.00 N -ATOM 1599 H ASN A 771 5.033 29.295 -8.743 1.00 0.00 H -ATOM 1600 CA ASN A 771 7.113 29.673 -9.219 1.00 0.00 C -ATOM 1601 HA ASN A 771 8.026 29.130 -8.973 1.00 0.00 H -ATOM 1602 C ASN A 771 7.181 31.196 -9.066 1.00 0.00 C -ATOM 1603 O ASN A 771 6.341 31.785 -8.345 1.00 0.00 O -ATOM 1604 CB ASN A 771 6.834 29.268 -10.685 1.00 0.00 C -ATOM 1605 HB3 ASN A 771 7.480 29.857 -11.336 1.00 0.00 H -ATOM 1606 HB2 ASN A 771 7.069 28.210 -10.803 1.00 0.00 H -ATOM 1607 CG ASN A 771 5.384 29.492 -11.110 1.00 0.00 C -ATOM 1608 OD1 ASN A 771 4.656 30.309 -10.546 1.00 0.00 O -ATOM 1609 ND2 ASN A 771 4.956 28.737 -12.094 1.00 0.00 N -ATOM 1610 HD21 ASN A 771 3.972 28.818 -12.422 1.00 0.00 H -ATOM 1611 HD22 ASN A 771 5.601 28.058 -12.546 1.00 0.00 H -ATOM 1612 N GLU A 772 8.166 31.836 -9.694 1.00 0.00 N -ATOM 1613 H GLU A 772 8.865 31.300 -10.248 1.00 0.00 H -ATOM 1614 CA GLU A 772 8.264 33.285 -9.605 1.00 0.00 C -ATOM 1615 HA GLU A 772 8.328 33.520 -8.542 1.00 0.00 H -ATOM 1616 C GLU A 772 7.015 33.997 -10.136 1.00 0.00 C -ATOM 1617 O GLU A 772 6.615 35.016 -9.579 1.00 0.00 O -ATOM 1618 CB GLU A 772 9.541 33.815 -10.274 1.00 0.00 C -ATOM 1619 HB3 GLU A 772 9.693 33.271 -11.206 1.00 0.00 H -ATOM 1620 HB2 GLU A 772 9.402 34.874 -10.492 1.00 0.00 H -ATOM 1621 CG GLU A 772 10.814 33.657 -9.401 1.00 0.00 C -ATOM 1622 HG3 GLU A 772 10.504 33.540 -8.363 1.00 0.00 H -ATOM 1623 HG2 GLU A 772 11.342 32.760 -9.725 1.00 0.00 H -ATOM 1624 CD GLU A 772 11.791 34.850 -9.483 1.00 0.00 C -ATOM 1625 OE1 GLU A 772 11.719 35.655 -10.434 1.00 0.00 O -ATOM 1626 OE2 GLU A 772 12.654 34.974 -8.583 1.00 0.00 O -ATOM 1627 N TYR A 773 6.354 33.454 -11.157 1.00 0.00 N -ATOM 1628 H TYR A 773 6.690 32.571 -11.592 1.00 0.00 H -ATOM 1629 CA TYR A 773 5.147 34.117 -11.659 1.00 0.00 C -ATOM 1630 HA TYR A 773 5.446 35.121 -11.959 1.00 0.00 H -ATOM 1631 C TYR A 773 4.088 34.215 -10.565 1.00 0.00 C -ATOM 1632 O TYR A 773 3.493 35.271 -10.391 1.00 0.00 O -ATOM 1633 CB TYR A 773 4.563 33.425 -12.907 1.00 0.00 C -ATOM 1634 HB3 TYR A 773 5.303 33.482 -13.705 1.00 0.00 H -ATOM 1635 HB2 TYR A 773 4.376 32.380 -12.661 1.00 0.00 H -ATOM 1636 CG TYR A 773 3.266 34.033 -13.417 1.00 0.00 C -ATOM 1637 CD1 TYR A 773 3.248 35.277 -14.059 1.00 0.00 C -ATOM 1638 HD1 TYR A 773 4.190 35.789 -14.254 1.00 0.00 H -ATOM 1639 CD2 TYR A 773 2.043 33.397 -13.197 1.00 0.00 C -ATOM 1640 HD2 TYR A 773 2.026 32.423 -12.708 1.00 0.00 H -ATOM 1641 CE1 TYR A 773 2.038 35.883 -14.459 1.00 0.00 C -ATOM 1642 HE1 TYR A 773 2.049 36.856 -14.951 1.00 0.00 H -ATOM 1643 CE2 TYR A 773 0.833 33.990 -13.595 1.00 0.00 C -ATOM 1644 HE2 TYR A 773 -0.110 33.475 -13.412 1.00 0.00 H -ATOM 1645 CZ TYR A 773 0.835 35.235 -14.223 1.00 0.00 C -ATOM 1646 OH TYR A 773 -0.361 35.824 -14.599 1.00 0.00 O -ATOM 1647 HH TYR A 773 -0.177 36.697 -15.027 1.00 0.00 H -ATOM 1648 N ARG A 774 3.864 33.137 -9.817 1.00 0.00 N -ATOM 1649 H ARG A 774 4.412 32.271 -9.994 1.00 0.00 H -ATOM 1650 CA ARG A 774 2.863 33.146 -8.751 1.00 0.00 C -ATOM 1651 HA ARG A 774 1.969 33.567 -9.211 1.00 0.00 H -ATOM 1652 C ARG A 774 3.216 34.035 -7.578 1.00 0.00 C -ATOM 1653 O ARG A 774 2.330 34.701 -7.032 1.00 0.00 O -ATOM 1654 CB ARG A 774 2.580 31.748 -8.252 1.00 0.00 C -ATOM 1655 HB3 ARG A 774 3.461 31.130 -8.429 1.00 0.00 H -ATOM 1656 HB2 ARG A 774 2.379 31.794 -7.182 1.00 0.00 H -ATOM 1657 CG ARG A 774 1.421 31.121 -8.923 1.00 0.00 C -ATOM 1658 HG3 ARG A 774 0.528 31.236 -8.309 1.00 0.00 H -ATOM 1659 HG2 ARG A 774 1.255 31.588 -9.894 1.00 0.00 H -ATOM 1660 CD ARG A 774 1.735 29.667 -9.102 1.00 0.00 C -ATOM 1661 HD3 ARG A 774 1.999 29.234 -8.137 1.00 0.00 H -ATOM 1662 HD2 ARG A 774 2.576 29.562 -9.788 1.00 0.00 H -ATOM 1663 NE ARG A 774 0.588 28.968 -9.642 1.00 0.00 N -ATOM 1664 HE ARG A 774 -0.086 29.510 -10.220 1.00 0.00 H -ATOM 1665 CZ ARG A 774 0.344 27.682 -9.445 1.00 0.00 C -ATOM 1666 NH1 ARG A 774 1.183 26.954 -8.717 1.00 0.00 N -ATOM 1667 HH11 ARG A 774 2.029 27.395 -8.303 1.00 0.00 H -ATOM 1668 HH12 ARG A 774 0.994 25.943 -8.561 1.00 0.00 H -ATOM 1669 NH2 ARG A 774 -0.753 27.136 -9.952 1.00 0.00 N -ATOM 1670 HH21 ARG A 774 -1.417 27.718 -10.502 1.00 0.00 H -ATOM 1671 HH22 ARG A 774 -0.949 26.126 -9.800 1.00 0.00 H -ATOM 1672 N MET A 775 4.486 34.023 -7.168 1.00 0.00 N -ATOM 1673 H MET A 775 5.163 33.391 -7.640 1.00 0.00 H -ATOM 1674 CA MET A 775 4.955 34.877 -6.069 1.00 0.00 C -ATOM 1675 HA MET A 775 4.538 34.512 -5.131 1.00 0.00 H -ATOM 1676 C MET A 775 4.496 36.328 -6.332 1.00 0.00 C -ATOM 1677 O MET A 775 4.119 37.065 -5.416 1.00 0.00 O -ATOM 1678 CB MET A 775 6.485 34.839 -5.975 1.00 0.00 C -ATOM 1679 HB3 MET A 775 6.888 34.865 -6.987 1.00 0.00 H -ATOM 1680 HB2 MET A 775 6.814 35.725 -5.431 1.00 0.00 H -ATOM 1681 CG MET A 775 7.046 33.622 -5.276 1.00 0.00 C -ATOM 1682 HG3 MET A 775 6.533 32.737 -5.652 1.00 0.00 H -ATOM 1683 HG2 MET A 775 6.862 33.720 -4.206 1.00 0.00 H -ATOM 1684 SD MET A 775 8.813 33.416 -5.539 1.00 0.00 S -ATOM 1685 CE MET A 775 9.443 34.965 -4.970 1.00 0.00 C -ATOM 1686 HE1 MET A 775 9.011 35.771 -5.563 1.00 0.00 H -ATOM 1687 HE2 MET A 775 9.177 35.101 -3.922 1.00 0.00 H -ATOM 1688 HE3 MET A 775 10.528 34.975 -5.076 1.00 0.00 H -ATOM 1689 N HIS A 776 4.484 36.695 -7.608 1.00 0.00 N -ATOM 1690 H HIS A 776 4.793 36.003 -8.320 1.00 0.00 H -ATOM 1691 CA HIS A 776 4.065 38.006 -8.065 1.00 0.00 C -ATOM 1692 HA HIS A 776 4.308 38.697 -7.258 1.00 0.00 H -ATOM 1693 C HIS A 776 2.568 38.136 -8.311 1.00 0.00 C -ATOM 1694 O HIS A 776 1.969 39.153 -7.991 1.00 0.00 O -ATOM 1695 CB HIS A 776 4.804 38.351 -9.348 1.00 0.00 C -ATOM 1696 HB3 HIS A 776 5.875 38.298 -9.154 1.00 0.00 H -ATOM 1697 HB2 HIS A 776 4.537 37.617 -10.108 1.00 0.00 H -ATOM 1698 CG HIS A 776 4.486 39.712 -9.873 1.00 0.00 C -ATOM 1699 ND1 HIS A 776 3.327 39.992 -10.560 1.00 0.00 N -ATOM 1700 CD2 HIS A 776 5.167 40.879 -9.788 1.00 0.00 C -ATOM 1701 HD2 HIS A 776 6.135 41.032 -9.310 1.00 0.00 H -ATOM 1702 CE1 HIS A 776 3.300 41.270 -10.877 1.00 0.00 C -ATOM 1703 HE1 HIS A 776 2.504 41.776 -11.423 1.00 0.00 H -ATOM 1704 NE2 HIS A 776 4.406 41.833 -10.419 1.00 0.00 N -ATOM 1705 N LYS A 777 1.964 37.143 -8.938 1.00 0.00 N -ATOM 1706 H LYS A 777 2.509 36.307 -9.231 1.00 0.00 H -ATOM 1707 CA LYS A 777 0.542 37.214 -9.220 1.00 0.00 C -ATOM 1708 HA LYS A 777 0.333 38.144 -9.749 1.00 0.00 H -ATOM 1709 C LYS A 777 -0.276 37.241 -7.920 1.00 0.00 C -ATOM 1710 O LYS A 777 -1.356 37.835 -7.869 1.00 0.00 O -ATOM 1711 CB LYS A 777 0.128 36.042 -10.126 1.00 0.00 C -ATOM 1712 HB3 LYS A 777 0.915 35.892 -10.865 1.00 0.00 H -ATOM 1713 HB2 LYS A 777 0.040 35.150 -9.506 1.00 0.00 H -ATOM 1714 CG LYS A 777 -1.193 36.233 -10.872 1.00 0.00 C -ATOM 1715 HG3 LYS A 777 -1.388 35.346 -11.475 1.00 0.00 H -ATOM 1716 HG2 LYS A 777 -1.994 36.359 -10.144 1.00 0.00 H -ATOM 1717 CD LYS A 777 -1.161 37.460 -11.791 1.00 0.00 C -ATOM 1718 HD3 LYS A 777 -0.140 37.840 -11.832 1.00 0.00 H -ATOM 1719 HD2 LYS A 777 -1.475 37.157 -12.790 1.00 0.00 H -ATOM 1720 CE LYS A 777 -2.090 38.590 -11.301 1.00 0.00 C -ATOM 1721 HE3 LYS A 777 -1.771 39.525 -11.763 1.00 0.00 H -ATOM 1722 HE2 LYS A 777 -1.996 38.670 -10.218 1.00 0.00 H -ATOM 1723 NZ LYS A 777 -3.524 38.363 -11.635 1.00 0.00 N -ATOM 1724 HZ1 LYS A 777 -3.632 38.295 -12.667 1.00 0.00 H -ATOM 1725 HZ2 LYS A 777 -3.846 37.479 -11.192 1.00 0.00 H -ATOM 1726 HZ3 LYS A 777 -4.092 39.158 -11.278 1.00 0.00 H -ATOM 1727 N SER A 778 0.249 36.616 -6.870 1.00 0.00 N -ATOM 1728 H SER A 778 1.176 36.156 -6.973 1.00 0.00 H -ATOM 1729 CA SER A 778 -0.432 36.551 -5.571 1.00 0.00 C -ATOM 1730 HA SER A 778 -1.496 36.432 -5.774 1.00 0.00 H -ATOM 1731 C SER A 778 -0.193 37.808 -4.756 1.00 0.00 C -ATOM 1732 O SER A 778 -0.827 38.019 -3.727 1.00 0.00 O -ATOM 1733 CB SER A 778 0.116 35.397 -4.761 1.00 0.00 C -ATOM 1734 HB3 SER A 778 0.108 34.487 -5.361 1.00 0.00 H -ATOM 1735 HB2 SER A 778 -0.494 35.248 -3.870 1.00 0.00 H -ATOM 1736 OG SER A 778 1.446 35.715 -4.386 1.00 0.00 O -ATOM 1737 HG SER A 778 1.993 35.852 -5.200 1.00 0.00 H -ATOM 1738 N ARG A 779 0.842 38.546 -5.141 1.00 0.00 N -ATOM 1739 H ARG A 779 1.403 38.216 -5.952 1.00 0.00 H -ATOM 1740 CA ARG A 779 1.242 39.798 -4.491 1.00 0.00 C -ATOM 1741 HA ARG A 779 2.043 40.179 -5.125 1.00 0.00 H -ATOM 1742 C ARG A 779 1.901 39.668 -3.113 1.00 0.00 C -ATOM 1743 O ARG A 779 1.801 40.580 -2.276 1.00 0.00 O -ATOM 1744 CB ARG A 779 0.081 40.799 -4.461 1.00 0.00 C -ATOM 1745 HB3 ARG A 779 -0.723 40.379 -3.857 1.00 0.00 H -ATOM 1746 HB2 ARG A 779 0.433 41.723 -4.003 1.00 0.00 H -ATOM 1747 CG ARG A 779 -0.472 41.124 -5.841 1.00 0.00 C -ATOM 1748 HG3 ARG A 779 0.322 41.547 -6.456 1.00 0.00 H -ATOM 1749 HG2 ARG A 779 -0.841 40.209 -6.305 1.00 0.00 H -ATOM 1750 CD ARG A 779 -1.603 42.120 -5.735 1.00 0.00 C -ATOM 1751 HD3 ARG A 779 -1.183 43.121 -5.635 1.00 0.00 H -ATOM 1752 HD2 ARG A 779 -2.196 41.887 -4.851 1.00 0.00 H -ATOM 1753 NE ARG A 779 -2.471 42.088 -6.907 1.00 0.00 N -ATOM 1754 HE ARG A 779 -2.609 41.176 -7.388 1.00 0.00 H -ATOM 1755 CZ ARG A 779 -3.095 43.150 -7.397 1.00 0.00 C -ATOM 1756 NH1 ARG A 779 -2.935 44.337 -6.824 1.00 0.00 N -ATOM 1757 HH11 ARG A 779 -2.320 44.434 -5.991 1.00 0.00 H -ATOM 1758 HH12 ARG A 779 -3.425 45.170 -7.208 1.00 0.00 H -ATOM 1759 NH2 ARG A 779 -3.912 43.007 -8.426 1.00 0.00 N -ATOM 1760 HH21 ARG A 779 -4.061 42.067 -8.845 1.00 0.00 H -ATOM 1761 HH22 ARG A 779 -4.406 43.835 -8.817 1.00 0.00 H -ATOM 1762 N MET A 780 2.600 38.551 -2.897 1.00 0.00 N -ATOM 1763 H MET A 780 2.629 37.819 -3.635 1.00 0.00 H -ATOM 1764 CA MET A 780 3.323 38.334 -1.650 1.00 0.00 C -ATOM 1765 HA MET A 780 3.101 39.141 -0.952 1.00 0.00 H -ATOM 1766 C MET A 780 4.773 38.214 -2.049 1.00 0.00 C -ATOM 1767 O MET A 780 5.595 37.686 -1.311 1.00 0.00 O -ATOM 1768 CB MET A 780 2.953 37.015 -1.005 1.00 0.00 C -ATOM 1769 HB3 MET A 780 3.196 36.224 -1.714 1.00 0.00 H -ATOM 1770 HB2 MET A 780 3.568 36.902 -0.112 1.00 0.00 H -ATOM 1771 CG MET A 780 1.530 36.831 -0.596 1.00 0.00 C -ATOM 1772 HG3 MET A 780 0.940 36.457 -1.433 1.00 0.00 H -ATOM 1773 HG2 MET A 780 1.109 37.775 -0.250 1.00 0.00 H -ATOM 1774 SD MET A 780 1.554 35.622 0.748 1.00 0.00 S -ATOM 1775 CE MET A 780 2.616 34.289 0.007 1.00 0.00 C -ATOM 1776 HE1 MET A 780 2.148 33.918 -0.904 1.00 0.00 H -ATOM 1777 HE2 MET A 780 3.599 34.698 -0.229 1.00 0.00 H -ATOM 1778 HE3 MET A 780 2.723 33.472 0.721 1.00 0.00 H -ATOM 1779 N TYR A 781 5.092 38.712 -3.229 1.00 0.00 N -ATOM 1780 H TYR A 781 4.362 39.187 -3.797 1.00 0.00 H -ATOM 1781 CA TYR A 781 6.429 38.610 -3.744 1.00 0.00 C -ATOM 1782 HA TYR A 781 6.563 37.552 -3.971 1.00 0.00 H -ATOM 1783 C TYR A 781 7.532 38.923 -2.753 1.00 0.00 C -ATOM 1784 O TYR A 781 8.499 38.166 -2.682 1.00 0.00 O -ATOM 1785 CB TYR A 781 6.581 39.428 -5.019 1.00 0.00 C -ATOM 1786 HB3 TYR A 781 5.686 39.302 -5.629 1.00 0.00 H -ATOM 1787 HB2 TYR A 781 6.693 40.479 -4.753 1.00 0.00 H -ATOM 1788 CG TYR A 781 7.782 38.995 -5.819 1.00 0.00 C -ATOM 1789 CD1 TYR A 781 9.063 39.330 -5.400 1.00 0.00 C -ATOM 1790 HD1 TYR A 781 9.186 39.959 -4.518 1.00 0.00 H -ATOM 1791 CD2 TYR A 781 7.651 38.203 -6.952 1.00 0.00 C -ATOM 1792 HD2 TYR A 781 6.657 37.927 -7.305 1.00 0.00 H -ATOM 1793 CE1 TYR A 781 10.184 38.887 -6.071 1.00 0.00 C -ATOM 1794 HE1 TYR A 781 11.177 39.159 -5.712 1.00 0.00 H -ATOM 1795 CE2 TYR A 781 8.778 37.756 -7.644 1.00 0.00 C -ATOM 1796 HE2 TYR A 781 8.664 37.138 -8.534 1.00 0.00 H -ATOM 1797 CZ TYR A 781 10.051 38.105 -7.190 1.00 0.00 C -ATOM 1798 OH TYR A 781 11.207 37.679 -7.825 1.00 0.00 O -ATOM 1799 HH TYR A 781 11.238 36.689 -7.823 1.00 0.00 H -ATOM 1800 N SER A 782 7.419 40.009 -1.986 1.00 0.00 N -ATOM 1801 H SER A 782 6.582 40.620 -2.070 1.00 0.00 H -ATOM 1802 CA SER A 782 8.492 40.346 -1.009 1.00 0.00 C -ATOM 1803 HA SER A 782 9.416 40.266 -1.582 1.00 0.00 H -ATOM 1804 C SER A 782 8.597 39.361 0.159 1.00 0.00 C -ATOM 1805 O SER A 782 9.697 39.007 0.604 1.00 0.00 O -ATOM 1806 CB SER A 782 8.364 41.780 -0.472 1.00 0.00 C -ATOM 1807 HB3 SER A 782 8.632 42.481 -1.262 1.00 0.00 H -ATOM 1808 HB2 SER A 782 9.044 41.907 0.371 1.00 0.00 H -ATOM 1809 OG SER A 782 7.042 42.049 -0.044 1.00 0.00 O -ATOM 1810 HG SER A 782 6.989 42.977 0.296 1.00 0.00 H -ATOM 1811 N GLN A 783 7.453 38.904 0.650 1.00 0.00 N -ATOM 1812 H GLN A 783 6.545 39.228 0.260 1.00 0.00 H -ATOM 1813 CA GLN A 783 7.486 37.948 1.736 1.00 0.00 C -ATOM 1814 HA GLN A 783 8.106 38.321 2.551 1.00 0.00 H -ATOM 1815 C GLN A 783 8.040 36.661 1.160 1.00 0.00 C -ATOM 1816 O GLN A 783 8.980 36.075 1.709 1.00 0.00 O -ATOM 1817 CB GLN A 783 6.102 37.717 2.321 1.00 0.00 C -ATOM 1818 HB3 GLN A 783 5.423 37.465 1.507 1.00 0.00 H -ATOM 1819 HB2 GLN A 783 6.159 36.880 3.017 1.00 0.00 H -ATOM 1820 CG GLN A 783 5.538 38.915 3.059 1.00 0.00 C -ATOM 1821 HG3 GLN A 783 4.669 38.591 3.632 1.00 0.00 H -ATOM 1822 HG2 GLN A 783 6.301 39.292 3.740 1.00 0.00 H -ATOM 1823 CD GLN A 783 5.113 40.045 2.137 1.00 0.00 C -ATOM 1824 OE1 GLN A 783 4.504 39.831 1.083 1.00 0.00 O -ATOM 1825 NE2 GLN A 783 5.430 41.260 2.538 1.00 0.00 N -ATOM 1826 HE21 GLN A 783 5.167 42.084 1.960 1.00 0.00 H -ATOM 1827 HE22 GLN A 783 5.943 41.395 3.432 1.00 0.00 H -ATOM 1828 N CYS A 784 7.532 36.300 -0.015 1.00 0.00 N -ATOM 1829 H CYS A 784 6.812 36.908 -0.456 1.00 0.00 H -ATOM 1830 CA CYS A 784 7.945 35.084 -0.710 1.00 0.00 C -ATOM 1831 HA CYS A 784 7.644 34.229 -0.105 1.00 0.00 H -ATOM 1832 C CYS A 784 9.456 35.006 -0.859 1.00 0.00 C -ATOM 1833 O CYS A 784 10.073 33.978 -0.568 1.00 0.00 O -ATOM 1834 CB CYS A 784 7.244 34.989 -2.066 1.00 0.00 C -ATOM 1835 HB3 CYS A 784 7.795 34.287 -2.692 1.00 0.00 H -ATOM 1836 HB2 CYS A 784 7.256 35.975 -2.531 1.00 0.00 H -ATOM 1837 SG CYS A 784 5.513 34.425 -1.949 1.00 0.00 S -ATOM 1838 HG CYS A 784 4.794 35.310 -1.171 1.00 0.00 H -ATOM 1839 N VAL A 785 10.060 36.132 -1.199 1.00 0.00 N -ATOM 1840 H VAL A 785 9.498 36.994 -1.349 1.00 0.00 H -ATOM 1841 CA VAL A 785 11.491 36.173 -1.363 1.00 0.00 C -ATOM 1842 HA VAL A 785 11.800 35.389 -2.054 1.00 0.00 H -ATOM 1843 C VAL A 785 12.149 35.937 -0.019 1.00 0.00 C -ATOM 1844 O VAL A 785 13.164 35.267 0.051 1.00 0.00 O -ATOM 1845 CB VAL A 785 11.928 37.502 -1.962 1.00 0.00 C -ATOM 1846 HB VAL A 785 11.707 38.301 -1.255 1.00 0.00 H -ATOM 1847 CG1 VAL A 785 13.417 37.484 -2.236 1.00 0.00 C -ATOM 1848 HG11 VAL A 785 13.955 37.317 -1.303 1.00 0.00 H -ATOM 1849 HG12 VAL A 785 13.646 36.682 -2.937 1.00 0.00 H -ATOM 1850 HG13 VAL A 785 13.718 38.440 -2.664 1.00 0.00 H -ATOM 1851 CG2 VAL A 785 11.171 37.748 -3.264 1.00 0.00 C -ATOM 1852 HG21 VAL A 785 11.388 36.944 -3.967 1.00 0.00 H -ATOM 1853 HG22 VAL A 785 10.100 37.775 -3.061 1.00 0.00 H -ATOM 1854 HG23 VAL A 785 11.485 38.700 -3.691 1.00 0.00 H -ATOM 1855 N ARG A 786 11.556 36.461 1.052 1.00 0.00 N -ATOM 1856 H ARG A 786 10.687 37.017 0.925 1.00 0.00 H -ATOM 1857 CA ARG A 786 12.091 36.278 2.406 1.00 0.00 C -ATOM 1858 HA ARG A 786 13.139 36.577 2.401 1.00 0.00 H -ATOM 1859 C ARG A 786 12.037 34.801 2.831 1.00 0.00 C -ATOM 1860 O ARG A 786 13.008 34.249 3.362 1.00 0.00 O -ATOM 1861 CB ARG A 786 11.343 37.175 3.407 1.00 0.00 C -ATOM 1862 HB3 ARG A 786 10.274 37.089 3.214 1.00 0.00 H -ATOM 1863 HB2 ARG A 786 11.559 36.821 4.415 1.00 0.00 H -ATOM 1864 CG ARG A 786 11.732 38.650 3.320 1.00 0.00 C -ATOM 1865 HG3 ARG A 786 12.031 38.880 2.297 1.00 0.00 H -ATOM 1866 HG2 ARG A 786 10.872 39.262 3.591 1.00 0.00 H -ATOM 1867 CD ARG A 786 12.880 38.968 4.255 1.00 0.00 C -ATOM 1868 HD3 ARG A 786 13.338 39.911 3.955 1.00 0.00 H -ATOM 1869 HD2 ARG A 786 13.622 38.171 4.198 1.00 0.00 H -ATOM 1870 NE ARG A 786 12.397 39.082 5.635 1.00 0.00 N -ATOM 1871 HE ARG A 786 11.367 39.098 5.781 1.00 0.00 H -ATOM 1872 CZ ARG A 786 13.172 39.167 6.719 1.00 0.00 C -ATOM 1873 NH1 ARG A 786 14.494 39.134 6.609 1.00 0.00 N -ATOM 1874 HH11 ARG A 786 14.936 39.041 5.672 1.00 0.00 H -ATOM 1875 HH12 ARG A 786 15.088 39.201 7.460 1.00 0.00 H -ATOM 1876 NH2 ARG A 786 12.621 39.385 7.908 1.00 0.00 N -ATOM 1877 HH21 ARG A 786 11.590 39.489 7.992 1.00 0.00 H -ATOM 1878 HH22 ARG A 786 13.221 39.452 8.755 1.00 0.00 H -ATOM 1879 N MET A 787 10.919 34.150 2.553 1.00 0.00 N -ATOM 1880 H MET A 787 10.137 34.655 2.089 1.00 0.00 H -ATOM 1881 CA MET A 787 10.763 32.746 2.883 1.00 0.00 C -ATOM 1882 HA MET A 787 10.995 32.611 3.939 1.00 0.00 H -ATOM 1883 C MET A 787 11.733 31.878 2.066 1.00 0.00 C -ATOM 1884 O MET A 787 12.229 30.846 2.539 1.00 0.00 O -ATOM 1885 CB MET A 787 9.331 32.315 2.621 1.00 0.00 C -ATOM 1886 HB3 MET A 787 9.103 32.491 1.570 1.00 0.00 H -ATOM 1887 HB2 MET A 787 9.245 31.250 2.836 1.00 0.00 H -ATOM 1888 CG MET A 787 8.337 33.046 3.449 1.00 0.00 C -ATOM 1889 HG3 MET A 787 8.295 34.083 3.117 1.00 0.00 H -ATOM 1890 HG2 MET A 787 8.653 33.012 4.492 1.00 0.00 H -ATOM 1891 SD MET A 787 6.714 32.334 3.317 1.00 0.00 S -ATOM 1892 CE MET A 787 6.063 33.236 2.001 1.00 0.00 C -ATOM 1893 HE1 MET A 787 6.054 34.295 2.258 1.00 0.00 H -ATOM 1894 HE2 MET A 787 6.679 33.081 1.116 1.00 0.00 H -ATOM 1895 HE3 MET A 787 5.046 32.901 1.800 1.00 0.00 H -ATOM 1896 N ARG A 788 11.999 32.296 0.835 1.00 0.00 N -ATOM 1897 H ARG A 788 11.548 33.166 0.486 1.00 0.00 H -ATOM 1898 CA ARG A 788 12.902 31.570 -0.035 1.00 0.00 C -ATOM 1899 HA ARG A 788 12.632 30.514 -0.063 1.00 0.00 H -ATOM 1900 C ARG A 788 14.323 31.664 0.502 1.00 0.00 C -ATOM 1901 O ARG A 788 15.119 30.742 0.332 1.00 0.00 O -ATOM 1902 CB ARG A 788 12.790 32.122 -1.446 1.00 0.00 C -ATOM 1903 HB3 ARG A 788 11.743 32.357 -1.635 1.00 0.00 H -ATOM 1904 HB2 ARG A 788 13.382 33.036 -1.500 1.00 0.00 H -ATOM 1905 CG ARG A 788 13.263 31.196 -2.528 1.00 0.00 C -ATOM 1906 HG3 ARG A 788 14.350 31.120 -2.488 1.00 0.00 H -ATOM 1907 HG2 ARG A 788 12.825 30.210 -2.376 1.00 0.00 H -ATOM 1908 CD ARG A 788 12.846 31.727 -3.887 1.00 0.00 C -ATOM 1909 HD3 ARG A 788 11.788 31.986 -3.850 1.00 0.00 H -ATOM 1910 HD2 ARG A 788 13.002 30.945 -4.630 1.00 0.00 H -ATOM 1911 NE ARG A 788 13.605 32.913 -4.290 1.00 0.00 N -ATOM 1912 HE ARG A 788 14.395 33.220 -3.686 1.00 0.00 H -ATOM 1913 CZ ARG A 788 13.340 33.620 -5.386 1.00 0.00 C -ATOM 1914 NH1 ARG A 788 12.329 33.261 -6.163 1.00 0.00 N -ATOM 1915 HH11 ARG A 788 11.751 32.433 -5.914 1.00 0.00 H -ATOM 1916 HH12 ARG A 788 12.114 33.807 -7.022 1.00 0.00 H -ATOM 1917 NH2 ARG A 788 14.126 34.630 -5.752 1.00 0.00 N -ATOM 1918 HH21 ARG A 788 14.959 34.875 -5.179 1.00 0.00 H -ATOM 1919 HH22 ARG A 788 13.907 35.174 -6.611 1.00 0.00 H -ATOM 1920 N HIS A 789 14.636 32.759 1.191 1.00 0.00 N -ATOM 1921 H HIS A 789 13.928 33.511 1.311 1.00 0.00 H -ATOM 1922 CA HIS A 789 15.973 32.916 1.784 1.00 0.00 C -ATOM 1923 HA HIS A 789 16.724 32.919 0.994 1.00 0.00 H -ATOM 1924 C HIS A 789 16.107 31.777 2.782 1.00 0.00 C -ATOM 1925 O HIS A 789 17.066 31.000 2.730 1.00 0.00 O -ATOM 1926 CB HIS A 789 16.114 34.232 2.575 1.00 0.00 C -ATOM 1927 HB3 HIS A 789 15.202 34.378 3.154 1.00 0.00 H -ATOM 1928 HB2 HIS A 789 16.961 34.129 3.253 1.00 0.00 H -ATOM 1929 CG HIS A 789 16.334 35.456 1.739 1.00 0.00 C -ATOM 1930 ND1 HIS A 789 16.916 35.419 0.490 1.00 0.00 N -ATOM 1931 CD2 HIS A 789 16.051 36.759 1.982 1.00 0.00 C -ATOM 1932 HD2 HIS A 789 15.582 37.161 2.880 1.00 0.00 H -ATOM 1933 CE1 HIS A 789 16.982 36.648 -0.001 1.00 0.00 C -ATOM 1934 HE1 HIS A 789 17.393 36.925 -0.972 1.00 0.00 H -ATOM 1935 NE2 HIS A 789 16.465 37.481 0.886 1.00 0.00 N -ATOM 1936 N LEU A 790 15.112 31.700 3.674 1.00 0.00 N -ATOM 1937 H LEU A 790 14.353 32.408 3.615 1.00 0.00 H -ATOM 1938 CA LEU A 790 15.018 30.684 4.731 1.00 0.00 C -ATOM 1939 HA LEU A 790 15.807 30.878 5.458 1.00 0.00 H -ATOM 1940 C LEU A 790 15.194 29.297 4.140 1.00 0.00 C -ATOM 1941 O LEU A 790 16.076 28.551 4.573 1.00 0.00 O -ATOM 1942 CB LEU A 790 13.660 30.757 5.427 1.00 0.00 C -ATOM 1943 HB3 LEU A 790 13.514 31.785 5.757 1.00 0.00 H -ATOM 1944 HB2 LEU A 790 12.898 30.501 4.691 1.00 0.00 H -ATOM 1945 CG LEU A 790 13.455 29.853 6.634 1.00 0.00 C -ATOM 1946 HG LEU A 790 13.825 28.852 6.410 1.00 0.00 H -ATOM 1947 CD1 LEU A 790 14.230 30.415 7.825 1.00 0.00 C -ATOM 1948 HD11 LEU A 790 15.291 30.460 7.578 1.00 0.00 H -ATOM 1949 HD12 LEU A 790 13.866 31.417 8.053 1.00 0.00 H -ATOM 1950 HD13 LEU A 790 14.084 29.768 8.690 1.00 0.00 H -ATOM 1951 CD2 LEU A 790 11.970 29.760 6.962 1.00 0.00 C -ATOM 1952 HD21 LEU A 790 11.586 30.755 7.186 1.00 0.00 H -ATOM 1953 HD22 LEU A 790 11.435 29.347 6.106 1.00 0.00 H -ATOM 1954 HD23 LEU A 790 11.830 29.111 7.827 1.00 0.00 H -ATOM 1955 N SER A 791 14.388 28.963 3.130 1.00 0.00 N -ATOM 1956 H SER A 791 13.669 29.635 2.794 1.00 0.00 H -ATOM 1957 CA SER A 791 14.516 27.661 2.501 1.00 0.00 C -ATOM 1958 HA SER A 791 14.289 26.883 3.230 1.00 0.00 H -ATOM 1959 C SER A 791 15.951 27.507 2.010 1.00 0.00 C -ATOM 1960 O SER A 791 16.533 26.432 2.127 1.00 0.00 O -ATOM 1961 CB SER A 791 13.515 27.479 1.363 1.00 0.00 C -ATOM 1962 HB3 SER A 791 12.564 27.929 1.650 1.00 0.00 H -ATOM 1963 HB2 SER A 791 13.372 26.414 1.182 1.00 0.00 H -ATOM 1964 OG SER A 791 13.974 28.090 0.177 1.00 0.00 O -ATOM 1965 HG SER A 791 14.101 29.059 0.334 1.00 0.00 H -ATOM 1966 N GLN A 792 16.563 28.585 1.541 1.00 0.00 N -ATOM 1967 H GLN A 792 16.063 29.496 1.499 1.00 0.00 H -ATOM 1968 CA GLN A 792 17.938 28.481 1.086 1.00 0.00 C -ATOM 1969 HA GLN A 792 17.978 27.556 0.511 1.00 0.00 H -ATOM 1970 C GLN A 792 18.978 28.304 2.201 1.00 0.00 C -ATOM 1971 O GLN A 792 20.049 27.761 1.951 1.00 0.00 O -ATOM 1972 CB GLN A 792 18.297 29.652 0.201 1.00 0.00 C -ATOM 1973 HB3 GLN A 792 18.166 30.573 0.770 1.00 0.00 H -ATOM 1974 HB2 GLN A 792 19.341 29.557 -0.099 1.00 0.00 H -ATOM 1975 CG GLN A 792 17.455 29.723 -1.021 1.00 0.00 C -ATOM 1976 HG3 GLN A 792 17.809 28.984 -1.740 1.00 0.00 H -ATOM 1977 HG2 GLN A 792 16.422 29.501 -0.754 1.00 0.00 H -ATOM 1978 CD GLN A 792 17.516 31.082 -1.648 1.00 0.00 C -ATOM 1979 OE1 GLN A 792 17.275 32.081 -0.975 1.00 0.00 O -ATOM 1980 NE2 GLN A 792 17.852 31.142 -2.938 1.00 0.00 N -ATOM 1981 HE21 GLN A 792 17.919 32.063 -3.416 1.00 0.00 H -ATOM 1982 HE22 GLN A 792 18.047 30.267 -3.466 1.00 0.00 H -ATOM 1983 N GLU A 793 18.684 28.734 3.424 1.00 0.00 N -ATOM 1984 H GLU A 793 17.769 29.191 3.611 1.00 0.00 H -ATOM 1985 CA GLU A 793 19.658 28.561 4.510 1.00 0.00 C -ATOM 1986 HA GLU A 793 20.588 29.025 4.183 1.00 0.00 H -ATOM 1987 C GLU A 793 19.852 27.078 4.787 1.00 0.00 C -ATOM 1988 O GLU A 793 20.972 26.632 5.000 1.00 0.00 O -ATOM 1989 CB GLU A 793 19.214 29.248 5.814 1.00 0.00 C -ATOM 1990 HB3 GLU A 793 18.293 28.768 6.145 1.00 0.00 H -ATOM 1991 HB2 GLU A 793 19.995 29.085 6.557 1.00 0.00 H -ATOM 1992 CG GLU A 793 18.949 30.772 5.734 1.00 0.00 C -ATOM 1993 HG3 GLU A 793 18.415 30.976 4.806 1.00 0.00 H -ATOM 1994 HG2 GLU A 793 18.323 31.053 6.581 1.00 0.00 H -ATOM 1995 CD GLU A 793 20.212 31.644 5.762 1.00 0.00 C -ATOM 1996 OE1 GLU A 793 21.328 31.098 5.703 1.00 0.00 O -ATOM 1997 OE2 GLU A 793 20.083 32.894 5.837 1.00 0.00 O -ATOM 1998 N PHE A 794 18.771 26.302 4.760 1.00 0.00 N -ATOM 1999 H PHE A 794 17.845 26.723 4.543 1.00 0.00 H -ATOM 2000 CA PHE A 794 18.862 24.866 5.031 1.00 0.00 C -ATOM 2001 HA PHE A 794 19.064 24.732 6.094 1.00 0.00 H -ATOM 2002 C PHE A 794 19.960 24.277 4.206 1.00 0.00 C -ATOM 2003 O PHE A 794 20.761 23.478 4.690 1.00 0.00 O -ATOM 2004 CB PHE A 794 17.562 24.160 4.686 1.00 0.00 C -ATOM 2005 HB3 PHE A 794 17.233 24.505 3.706 1.00 0.00 H -ATOM 2006 HB2 PHE A 794 17.752 23.087 4.648 1.00 0.00 H -ATOM 2007 CG PHE A 794 16.462 24.410 5.669 1.00 0.00 C -ATOM 2008 CD1 PHE A 794 16.704 24.358 7.030 1.00 0.00 C -ATOM 2009 HD1 PHE A 794 17.704 24.125 7.395 1.00 0.00 H -ATOM 2010 CD2 PHE A 794 15.173 24.718 5.229 1.00 0.00 C -ATOM 2011 HD2 PHE A 794 14.972 24.765 4.159 1.00 0.00 H -ATOM 2012 CE1 PHE A 794 15.665 24.605 7.945 1.00 0.00 C -ATOM 2013 HE1 PHE A 794 15.865 24.556 9.015 1.00 0.00 H -ATOM 2014 CE2 PHE A 794 14.126 24.969 6.140 1.00 0.00 C -ATOM 2015 HE2 PHE A 794 13.126 25.206 5.776 1.00 0.00 H -ATOM 2016 CZ PHE A 794 14.376 24.913 7.494 1.00 0.00 C -ATOM 2017 HZ PHE A 794 13.576 25.107 8.209 1.00 0.00 H -ATOM 2018 N GLY A 795 20.018 24.729 2.963 1.00 0.00 N -ATOM 2019 H GLY A 795 19.323 25.433 2.643 1.00 0.00 H -ATOM 2020 CA GLY A 795 21.033 24.260 2.040 1.00 0.00 C -ATOM 2021 HA3 GLY A 795 21.005 23.170 2.026 1.00 0.00 H -ATOM 2022 HA2 GLY A 795 20.795 24.641 1.047 1.00 0.00 H -ATOM 2023 C GLY A 795 22.440 24.695 2.391 1.00 0.00 C -ATOM 2024 O GLY A 795 23.338 23.850 2.481 1.00 0.00 O -ATOM 2025 N TRP A 796 22.625 25.994 2.624 1.00 0.00 N -ATOM 2026 H TRP A 796 21.817 26.647 2.576 1.00 0.00 H -ATOM 2027 CA TRP A 796 23.942 26.504 2.944 1.00 0.00 C -ATOM 2028 HA TRP A 796 24.676 26.116 2.238 1.00 0.00 H -ATOM 2029 C TRP A 796 24.433 25.986 4.301 1.00 0.00 C -ATOM 2030 O TRP A 796 25.614 25.649 4.469 1.00 0.00 O -ATOM 2031 CB TRP A 796 23.966 28.039 2.770 1.00 0.00 C -ATOM 2032 HB3 TRP A 796 24.618 28.253 1.923 1.00 0.00 H -ATOM 2033 HB2 TRP A 796 22.949 28.348 2.530 1.00 0.00 H -ATOM 2034 CG TRP A 796 24.441 28.924 3.938 1.00 0.00 C -ATOM 2035 CD1 TRP A 796 23.779 30.018 4.436 1.00 0.00 C -ATOM 2036 HD1 TRP A 796 22.802 30.362 4.097 1.00 0.00 H -ATOM 2037 CD2 TRP A 796 25.693 28.847 4.686 1.00 0.00 C -ATOM 2038 NE1 TRP A 796 24.528 30.622 5.430 1.00 0.00 N -ATOM 2039 HE1 TRP A 796 24.246 31.470 5.962 1.00 0.00 H -ATOM 2040 CE2 TRP A 796 25.701 29.929 5.606 1.00 0.00 C -ATOM 2041 CE3 TRP A 796 26.801 27.976 4.667 1.00 0.00 C -ATOM 2042 HE3 TRP A 796 26.832 27.137 3.972 1.00 0.00 H -ATOM 2043 CZ2 TRP A 796 26.778 30.157 6.503 1.00 0.00 C -ATOM 2044 HZ2 TRP A 796 26.761 30.994 7.201 1.00 0.00 H -ATOM 2045 CZ3 TRP A 796 27.871 28.204 5.561 1.00 0.00 C -ATOM 2046 HZ3 TRP A 796 28.729 27.532 5.553 1.00 0.00 H -ATOM 2047 CH2 TRP A 796 27.845 29.286 6.462 1.00 0.00 C -ATOM 2048 HH2 TRP A 796 28.685 29.437 7.140 1.00 0.00 H -ATOM 2049 N LEU A 797 23.500 25.779 5.221 1.00 0.00 N -ATOM 2050 H LEU A 797 22.504 25.971 4.993 1.00 0.00 H -ATOM 2051 CA LEU A 797 23.851 25.286 6.546 1.00 0.00 C -ATOM 2052 HA LEU A 797 24.839 25.695 6.758 1.00 0.00 H -ATOM 2053 C LEU A 797 24.012 23.767 6.640 1.00 0.00 C -ATOM 2054 O LEU A 797 24.629 23.277 7.587 1.00 0.00 O -ATOM 2055 CB LEU A 797 22.839 25.782 7.583 1.00 0.00 C -ATOM 2056 HB3 LEU A 797 21.855 25.778 7.115 1.00 0.00 H -ATOM 2057 HB2 LEU A 797 22.846 25.080 8.417 1.00 0.00 H -ATOM 2058 CG LEU A 797 23.080 27.184 8.151 1.00 0.00 C -ATOM 2059 HG LEU A 797 23.325 27.858 7.330 1.00 0.00 H -ATOM 2060 CD1 LEU A 797 21.835 27.737 8.827 1.00 0.00 C -ATOM 2061 HD11 LEU A 797 21.024 27.794 8.101 1.00 0.00 H -ATOM 2062 HD12 LEU A 797 21.545 27.079 9.646 1.00 0.00 H -ATOM 2063 HD13 LEU A 797 22.047 28.733 9.217 1.00 0.00 H -ATOM 2064 CD2 LEU A 797 24.229 27.123 9.128 1.00 0.00 C -ATOM 2065 HD21 LEU A 797 23.981 26.434 9.936 1.00 0.00 H -ATOM 2066 HD22 LEU A 797 25.124 26.774 8.613 1.00 0.00 H -ATOM 2067 HD23 LEU A 797 24.409 28.117 9.538 1.00 0.00 H -ATOM 2068 N GLN A 798 23.462 23.020 5.684 1.00 0.00 N -ATOM 2069 H GLN A 798 22.953 23.484 4.905 1.00 0.00 H -ATOM 2070 CA GLN A 798 23.560 21.561 5.708 1.00 0.00 C -ATOM 2071 HA GLN A 798 23.114 21.202 4.781 1.00 0.00 H -ATOM 2072 C GLN A 798 22.788 20.960 6.890 1.00 0.00 C -ATOM 2073 O GLN A 798 23.268 20.039 7.571 1.00 0.00 O -ATOM 2074 CB GLN A 798 25.028 21.103 5.774 1.00 0.00 C -ATOM 2075 HB3 GLN A 798 25.560 21.775 6.448 1.00 0.00 H -ATOM 2076 HB2 GLN A 798 25.047 20.092 6.181 1.00 0.00 H -ATOM 2077 CG GLN A 798 25.773 21.088 4.438 1.00 0.00 C -ATOM 2078 HG3 GLN A 798 25.143 20.600 3.694 1.00 0.00 H -ATOM 2079 HG2 GLN A 798 25.961 22.118 4.133 1.00 0.00 H -ATOM 2080 CD GLN A 798 27.115 20.345 4.507 1.00 0.00 C -ATOM 2081 OE1 GLN A 798 27.910 20.564 5.428 1.00 0.00 O -ATOM 2082 NE2 GLN A 798 27.368 19.463 3.532 1.00 0.00 N -ATOM 2083 HE21 GLN A 798 28.262 18.931 3.531 1.00 0.00 H -ATOM 2084 HE22 GLN A 798 26.671 19.310 2.776 1.00 0.00 H -ATOM 2085 N ILE A 799 21.597 21.494 7.131 1.00 0.00 N -ATOM 2086 H ILE A 799 21.266 22.269 6.521 1.00 0.00 H -ATOM 2087 CA ILE A 799 20.728 21.040 8.219 1.00 0.00 C -ATOM 2088 HA ILE A 799 21.287 21.165 9.146 1.00 0.00 H -ATOM 2089 C ILE A 799 20.348 19.545 8.071 1.00 0.00 C -ATOM 2090 O ILE A 799 19.766 19.135 7.059 1.00 0.00 O -ATOM 2091 CB ILE A 799 19.414 21.894 8.258 1.00 0.00 C -ATOM 2092 HB ILE A 799 18.883 21.740 7.319 1.00 0.00 H -ATOM 2093 CG1 ILE A 799 19.733 23.388 8.383 1.00 0.00 C -ATOM 2094 HG13 ILE A 799 20.166 23.730 7.443 1.00 0.00 H -ATOM 2095 HG12 ILE A 799 18.804 23.927 8.571 1.00 0.00 H -ATOM 2096 CG2 ILE A 799 18.532 21.450 9.379 1.00 0.00 C -ATOM 2097 HG21 ILE A 799 18.269 20.402 9.239 1.00 0.00 H -ATOM 2098 HG22 ILE A 799 19.060 21.570 10.325 1.00 0.00 H -ATOM 2099 HG23 ILE A 799 17.626 22.055 9.388 1.00 0.00 H -ATOM 2100 CD1 ILE A 799 20.686 23.691 9.480 1.00 0.00 C -ATOM 2101 HD11 ILE A 799 20.262 23.363 10.429 1.00 0.00 H -ATOM 2102 HD12 ILE A 799 21.624 23.167 9.300 1.00 0.00 H -ATOM 2103 HD13 ILE A 799 20.869 24.765 9.514 1.00 0.00 H -ATOM 2104 N THR A 800 20.735 18.725 9.045 1.00 0.00 N -ATOM 2105 H THR A 800 21.297 19.101 9.835 1.00 0.00 H -ATOM 2106 CA THR A 800 20.386 17.310 9.026 1.00 0.00 C -ATOM 2107 HA THR A 800 20.612 16.898 8.043 1.00 0.00 H -ATOM 2108 C THR A 800 18.883 17.205 9.354 1.00 0.00 C -ATOM 2109 O THR A 800 18.345 18.013 10.125 1.00 0.00 O -ATOM 2110 CB THR A 800 21.222 16.474 10.060 1.00 0.00 C -ATOM 2111 HB THR A 800 21.079 15.421 9.819 1.00 0.00 H -ATOM 2112 OG1 THR A 800 20.773 16.729 11.396 1.00 0.00 O -ATOM 2113 HG1 THR A 800 20.880 17.692 11.601 1.00 0.00 H -ATOM 2114 CG2 THR A 800 22.696 16.813 9.968 1.00 0.00 C -ATOM 2115 HG21 THR A 800 22.842 17.865 10.213 1.00 0.00 H -ATOM 2116 HG22 THR A 800 23.254 16.194 10.671 1.00 0.00 H -ATOM 2117 HG23 THR A 800 23.049 16.623 8.954 1.00 0.00 H -ATOM 2118 N PRO A 801 18.170 16.238 8.740 1.00 0.00 N -ATOM 2119 CA PRO A 801 16.733 16.068 9.000 1.00 0.00 C -ATOM 2120 HA PRO A 801 16.164 16.945 8.692 1.00 0.00 H -ATOM 2121 C PRO A 801 16.353 15.955 10.476 1.00 0.00 C -ATOM 2122 O PRO A 801 15.193 16.130 10.835 1.00 0.00 O -ATOM 2123 CB PRO A 801 16.404 14.799 8.221 1.00 0.00 C -ATOM 2124 HB3 PRO A 801 16.661 13.905 8.790 1.00 0.00 H -ATOM 2125 HB2 PRO A 801 15.350 14.763 7.946 1.00 0.00 H -ATOM 2126 CG PRO A 801 17.285 14.951 7.007 1.00 0.00 C -ATOM 2127 HG3 PRO A 801 17.386 14.007 6.472 1.00 0.00 H -ATOM 2128 HG2 PRO A 801 16.896 15.711 6.330 1.00 0.00 H -ATOM 2129 CD PRO A 801 18.603 15.381 7.615 1.00 0.00 C -ATOM 2130 HD3 PRO A 801 19.203 15.943 6.899 1.00 0.00 H -ATOM 2131 HD2 PRO A 801 19.173 14.522 7.970 1.00 0.00 H -ATOM 2132 N GLN A 802 17.351 15.682 11.310 1.00 0.00 N -ATOM 2133 H GLN A 802 18.298 15.546 10.903 1.00 0.00 H -ATOM 2134 CA GLN A 802 17.210 15.560 12.754 1.00 0.00 C -ATOM 2135 HA GLN A 802 16.249 15.100 12.983 1.00 0.00 H -ATOM 2136 C GLN A 802 17.275 16.959 13.403 1.00 0.00 C -ATOM 2137 O GLN A 802 16.505 17.266 14.329 1.00 0.00 O -ATOM 2138 CB GLN A 802 18.338 14.684 13.311 1.00 0.00 C -ATOM 2139 HB3 GLN A 802 19.289 15.129 13.019 1.00 0.00 H -ATOM 2140 HB2 GLN A 802 18.259 14.679 14.398 1.00 0.00 H -ATOM 2141 CG GLN A 802 18.321 13.250 12.830 1.00 0.00 C -ATOM 2142 HG3 GLN A 802 19.034 12.676 13.421 1.00 0.00 H -ATOM 2143 HG2 GLN A 802 17.320 12.845 12.977 1.00 0.00 H -ATOM 2144 CD GLN A 802 18.685 13.116 11.373 1.00 0.00 C -ATOM 2145 OE1 GLN A 802 19.827 13.413 10.968 1.00 0.00 O -ATOM 2146 NE2 GLN A 802 17.727 12.666 10.566 1.00 0.00 N -ATOM 2147 HE21 GLN A 802 17.915 12.549 9.550 1.00 0.00 H -ATOM 2148 HE22 GLN A 802 16.790 12.432 10.951 1.00 0.00 H -ATOM 2149 N GLU A 803 18.218 17.790 12.950 1.00 0.00 N -ATOM 2150 H GLU A 803 18.880 17.471 12.214 1.00 0.00 H -ATOM 2151 CA GLU A 803 18.322 19.142 13.483 1.00 0.00 C -ATOM 2152 HA GLU A 803 18.484 19.119 14.561 1.00 0.00 H -ATOM 2153 C GLU A 803 17.034 19.841 13.133 1.00 0.00 C -ATOM 2154 O GLU A 803 16.456 20.543 13.951 1.00 0.00 O -ATOM 2155 CB GLU A 803 19.485 19.869 12.879 1.00 0.00 C -ATOM 2156 HB3 GLU A 803 19.431 19.778 11.794 1.00 0.00 H -ATOM 2157 HB2 GLU A 803 19.424 20.921 13.157 1.00 0.00 H -ATOM 2158 CG GLU A 803 20.796 19.325 13.342 1.00 0.00 C -ATOM 2159 HG3 GLU A 803 20.994 19.678 14.354 1.00 0.00 H -ATOM 2160 HG2 GLU A 803 20.754 18.236 13.340 1.00 0.00 H -ATOM 2161 CD GLU A 803 21.903 19.778 12.436 1.00 0.00 C -ATOM 2162 OE1 GLU A 803 21.618 20.023 11.249 1.00 0.00 O -ATOM 2163 OE2 GLU A 803 23.057 19.915 12.882 1.00 0.00 O -ATOM 2164 N PHE A 804 16.541 19.584 11.932 1.00 0.00 N -ATOM 2165 H PHE A 804 17.060 18.960 11.282 1.00 0.00 H -ATOM 2166 CA PHE A 804 15.286 20.166 11.519 1.00 0.00 C -ATOM 2167 HA PHE A 804 15.454 21.243 11.490 1.00 0.00 H -ATOM 2168 C PHE A 804 14.157 19.876 12.497 1.00 0.00 C -ATOM 2169 O PHE A 804 13.528 20.793 13.024 1.00 0.00 O -ATOM 2170 CB PHE A 804 14.872 19.663 10.142 1.00 0.00 C -ATOM 2171 HB3 PHE A 804 15.546 20.092 9.400 1.00 0.00 H -ATOM 2172 HB2 PHE A 804 14.963 18.577 10.129 1.00 0.00 H -ATOM 2173 CG PHE A 804 13.445 20.032 9.767 1.00 0.00 C -ATOM 2174 CD1 PHE A 804 13.091 21.361 9.540 1.00 0.00 C -ATOM 2175 HD1 PHE A 804 13.842 22.142 9.659 1.00 0.00 H -ATOM 2176 CD2 PHE A 804 12.468 19.048 9.617 1.00 0.00 C -ATOM 2177 HD2 PHE A 804 12.724 18.004 9.797 1.00 0.00 H -ATOM 2178 CE1 PHE A 804 11.795 21.712 9.164 1.00 0.00 C -ATOM 2179 HE1 PHE A 804 11.541 22.758 8.990 1.00 0.00 H -ATOM 2180 CE2 PHE A 804 11.163 19.385 9.238 1.00 0.00 C -ATOM 2181 HE2 PHE A 804 10.411 18.605 9.120 1.00 0.00 H -ATOM 2182 CZ PHE A 804 10.826 20.723 9.011 1.00 0.00 C -ATOM 2183 HZ PHE A 804 9.811 20.990 8.716 1.00 0.00 H -ATOM 2184 N LEU A 805 13.887 18.600 12.728 1.00 0.00 N -ATOM 2185 H LEU A 805 14.475 17.864 12.287 1.00 0.00 H -ATOM 2186 CA LEU A 805 12.784 18.215 13.586 1.00 0.00 C -ATOM 2187 HA LEU A 805 11.884 18.625 13.128 1.00 0.00 H -ATOM 2188 C LEU A 805 12.880 18.799 14.946 1.00 0.00 C -ATOM 2189 O LEU A 805 11.881 19.243 15.493 1.00 0.00 O -ATOM 2190 CB LEU A 805 12.648 16.702 13.661 1.00 0.00 C -ATOM 2191 HB3 LEU A 805 13.643 16.273 13.782 1.00 0.00 H -ATOM 2192 HB2 LEU A 805 12.039 16.454 14.530 1.00 0.00 H -ATOM 2193 CG LEU A 805 12.000 16.079 12.423 1.00 0.00 C -ATOM 2194 HG LEU A 805 12.540 16.400 11.532 1.00 0.00 H -ATOM 2195 CD1 LEU A 805 12.046 14.617 12.600 1.00 0.00 C -ATOM 2196 HD11 LEU A 805 13.083 14.296 12.694 1.00 0.00 H -ATOM 2197 HD12 LEU A 805 11.497 14.344 13.501 1.00 0.00 H -ATOM 2198 HD13 LEU A 805 11.592 14.133 11.735 1.00 0.00 H -ATOM 2199 CD2 LEU A 805 10.549 16.523 12.252 1.00 0.00 C -ATOM 2200 HD21 LEU A 805 9.973 16.222 13.127 1.00 0.00 H -ATOM 2201 HD22 LEU A 805 10.512 17.607 12.147 1.00 0.00 H -ATOM 2202 HD23 LEU A 805 10.130 16.056 11.361 1.00 0.00 H -ATOM 2203 N CYS A 806 14.082 18.836 15.493 1.00 0.00 N -ATOM 2204 H CYS A 806 14.904 18.468 14.973 1.00 0.00 H -ATOM 2205 CA CYS A 806 14.250 19.396 16.831 1.00 0.00 C -ATOM 2206 HA CYS A 806 13.558 18.895 17.508 1.00 0.00 H -ATOM 2207 C CYS A 806 13.904 20.894 16.843 1.00 0.00 C -ATOM 2208 O CYS A 806 13.145 21.367 17.704 1.00 0.00 O -ATOM 2209 CB CYS A 806 15.669 19.143 17.341 1.00 0.00 C -ATOM 2210 HB3 CYS A 806 15.786 19.629 18.309 1.00 0.00 H -ATOM 2211 HB2 CYS A 806 16.378 19.571 16.633 1.00 0.00 H -ATOM 2212 SG CYS A 806 16.021 17.398 17.526 1.00 0.00 S -ATOM 2213 HG CYS A 806 15.886 16.771 16.304 1.00 0.00 H -ATOM 2214 N MET A 807 14.420 21.610 15.846 1.00 0.00 N -ATOM 2215 H MET A 807 15.032 21.134 15.152 1.00 0.00 H -ATOM 2216 CA MET A 807 14.161 23.027 15.692 1.00 0.00 C -ATOM 2217 HA MET A 807 14.470 23.529 16.609 1.00 0.00 H -ATOM 2218 C MET A 807 12.662 23.301 15.488 1.00 0.00 C -ATOM 2219 O MET A 807 12.093 24.168 16.148 1.00 0.00 O -ATOM 2220 CB MET A 807 14.973 23.589 14.519 1.00 0.00 C -ATOM 2221 HB3 MET A 807 14.736 23.010 13.627 1.00 0.00 H -ATOM 2222 HB2 MET A 807 14.682 24.628 14.364 1.00 0.00 H -ATOM 2223 CG MET A 807 16.474 23.539 14.740 1.00 0.00 C -ATOM 2224 HG3 MET A 807 16.794 22.502 14.633 1.00 0.00 H -ATOM 2225 HG2 MET A 807 16.674 23.876 15.757 1.00 0.00 H -ATOM 2226 SD MET A 807 17.486 24.563 13.596 1.00 0.00 S -ATOM 2227 CE MET A 807 17.165 23.799 12.065 1.00 0.00 C -ATOM 2228 HE1 MET A 807 17.483 22.757 12.106 1.00 0.00 H -ATOM 2229 HE2 MET A 807 16.097 23.846 11.854 1.00 0.00 H -ATOM 2230 HE3 MET A 807 17.715 24.317 11.279 1.00 0.00 H -ATOM 2231 N LYS A 808 12.006 22.545 14.617 1.00 0.00 N -ATOM 2232 H LYS A 808 12.500 21.784 14.109 1.00 0.00 H -ATOM 2233 CA LYS A 808 10.597 22.787 14.378 1.00 0.00 C -ATOM 2234 HA LYS A 808 10.475 23.796 13.983 1.00 0.00 H -ATOM 2235 C LYS A 808 9.841 22.681 15.686 1.00 0.00 C -ATOM 2236 O LYS A 808 8.954 23.486 15.952 1.00 0.00 O -ATOM 2237 CB LYS A 808 10.029 21.837 13.313 1.00 0.00 C -ATOM 2238 HB3 LYS A 808 10.698 21.861 12.453 1.00 0.00 H -ATOM 2239 HB2 LYS A 808 10.017 20.832 13.734 1.00 0.00 H -ATOM 2240 CG LYS A 808 8.598 22.158 12.811 1.00 0.00 C -ATOM 2241 HG3 LYS A 808 7.907 22.118 13.653 1.00 0.00 H -ATOM 2242 HG2 LYS A 808 8.587 23.159 12.381 1.00 0.00 H -ATOM 2243 CD LYS A 808 8.148 21.143 11.740 1.00 0.00 C -ATOM 2244 HD3 LYS A 808 7.671 21.687 10.924 1.00 0.00 H -ATOM 2245 HD2 LYS A 808 9.028 20.623 11.362 1.00 0.00 H -ATOM 2246 CE LYS A 808 7.157 20.101 12.280 1.00 0.00 C -ATOM 2247 HE3 LYS A 808 7.399 19.908 13.325 1.00 0.00 H -ATOM 2248 HE2 LYS A 808 7.279 19.183 11.705 1.00 0.00 H -ATOM 2249 NZ LYS A 808 5.683 20.529 12.198 1.00 0.00 N -ATOM 2250 HZ1 LYS A 808 5.544 21.398 12.752 1.00 0.00 H -ATOM 2251 HZ2 LYS A 808 5.429 20.706 11.205 1.00 0.00 H -ATOM 2252 HZ3 LYS A 808 5.082 19.772 12.581 1.00 0.00 H -ATOM 2253 N ALA A 809 10.220 21.727 16.530 1.00 0.00 N -ATOM 2254 H ALA A 809 11.001 21.092 16.268 1.00 0.00 H -ATOM 2255 CA ALA A 809 9.553 21.557 17.826 1.00 0.00 C -ATOM 2256 HA ALA A 809 8.482 21.482 17.635 1.00 0.00 H -ATOM 2257 C ALA A 809 9.786 22.766 18.749 1.00 0.00 C -ATOM 2258 O ALA A 809 8.844 23.305 19.346 1.00 0.00 O -ATOM 2259 CB ALA A 809 10.029 20.295 18.501 1.00 0.00 C -ATOM 2260 HB1 ALA A 809 9.800 19.438 17.868 1.00 0.00 H -ATOM 2261 HB2 ALA A 809 11.106 20.354 18.660 1.00 0.00 H -ATOM 2262 HB3 ALA A 809 9.524 20.185 19.461 1.00 0.00 H -ATOM 2263 N LEU A 810 11.042 23.193 18.836 1.00 0.00 N -ATOM 2264 H LEU A 810 11.771 22.685 18.295 1.00 0.00 H -ATOM 2265 CA LEU A 810 11.460 24.340 19.651 1.00 0.00 C -ATOM 2266 HA LEU A 810 11.202 24.124 20.688 1.00 0.00 H -ATOM 2267 C LEU A 810 10.732 25.626 19.269 1.00 0.00 C -ATOM 2268 O LEU A 810 10.445 26.460 20.134 1.00 0.00 O -ATOM 2269 CB LEU A 810 12.961 24.534 19.502 1.00 0.00 C -ATOM 2270 HB3 LEU A 810 13.395 23.535 19.460 1.00 0.00 H -ATOM 2271 HB2 LEU A 810 13.111 25.034 18.545 1.00 0.00 H -ATOM 2272 CG LEU A 810 13.779 25.313 20.524 1.00 0.00 C -ATOM 2273 HG LEU A 810 13.610 26.383 20.407 1.00 0.00 H -ATOM 2274 CD1 LEU A 810 13.361 24.959 21.942 1.00 0.00 C -ATOM 2275 HD11 LEU A 810 12.307 25.201 22.080 1.00 0.00 H -ATOM 2276 HD12 LEU A 810 13.515 23.893 22.110 1.00 0.00 H -ATOM 2277 HD13 LEU A 810 13.962 25.530 22.650 1.00 0.00 H -ATOM 2278 CD2 LEU A 810 15.256 24.981 20.284 1.00 0.00 C -ATOM 2279 HD21 LEU A 810 15.411 23.909 20.409 1.00 0.00 H -ATOM 2280 HD22 LEU A 810 15.533 25.274 19.271 1.00 0.00 H -ATOM 2281 HD23 LEU A 810 15.871 25.524 21.002 1.00 0.00 H -ATOM 2282 N LEU A 811 10.409 25.763 17.982 1.00 0.00 N -ATOM 2283 H LEU A 811 10.685 25.018 17.311 1.00 0.00 H -ATOM 2284 CA LEU A 811 9.683 26.923 17.489 1.00 0.00 C -ATOM 2285 HA LEU A 811 10.329 27.780 17.680 1.00 0.00 H -ATOM 2286 C LEU A 811 8.359 27.093 18.200 1.00 0.00 C -ATOM 2287 O LEU A 811 7.918 28.219 18.435 1.00 0.00 O -ATOM 2288 CB LEU A 811 9.384 26.811 15.988 1.00 0.00 C -ATOM 2289 HB3 LEU A 811 9.366 25.748 15.749 1.00 0.00 H -ATOM 2290 HB2 LEU A 811 8.392 27.234 15.833 1.00 0.00 H -ATOM 2291 CG LEU A 811 10.309 27.474 14.973 1.00 0.00 C -ATOM 2292 HG LEU A 811 11.212 26.879 14.840 1.00 0.00 H -ATOM 2293 CD1 LEU A 811 9.523 27.595 13.709 1.00 0.00 C -ATOM 2294 HD11 LEU A 811 9.220 26.603 13.375 1.00 0.00 H -ATOM 2295 HD12 LEU A 811 8.638 28.205 13.890 1.00 0.00 H -ATOM 2296 HD13 LEU A 811 10.139 28.066 12.943 1.00 0.00 H -ATOM 2297 CD2 LEU A 811 10.767 28.875 15.444 1.00 0.00 C -ATOM 2298 HD21 LEU A 811 9.895 29.514 15.582 1.00 0.00 H -ATOM 2299 HD22 LEU A 811 11.304 28.782 16.388 1.00 0.00 H -ATOM 2300 HD23 LEU A 811 11.424 29.313 14.693 1.00 0.00 H -ATOM 2301 N LEU A 812 7.713 25.978 18.527 1.00 0.00 N -ATOM 2302 H LEU A 812 8.138 25.055 18.306 1.00 0.00 H -ATOM 2303 CA LEU A 812 6.418 26.032 19.190 1.00 0.00 C -ATOM 2304 HA LEU A 812 5.728 26.520 18.502 1.00 0.00 H -ATOM 2305 C LEU A 812 6.459 26.850 20.469 1.00 0.00 C -ATOM 2306 O LEU A 812 5.476 27.486 20.836 1.00 0.00 O -ATOM 2307 CB LEU A 812 5.934 24.622 19.511 1.00 0.00 C -ATOM 2308 HB3 LEU A 812 5.812 24.085 18.570 1.00 0.00 H -ATOM 2309 HB2 LEU A 812 6.700 24.131 20.112 1.00 0.00 H -ATOM 2310 CG LEU A 812 4.600 24.544 20.281 1.00 0.00 C -ATOM 2311 HG LEU A 812 4.676 25.209 21.141 1.00 0.00 H -ATOM 2312 CD1 LEU A 812 3.428 25.002 19.417 1.00 0.00 C -ATOM 2313 HD11 LEU A 812 3.588 26.035 19.107 1.00 0.00 H -ATOM 2314 HD12 LEU A 812 3.357 24.364 18.536 1.00 0.00 H -ATOM 2315 HD13 LEU A 812 2.505 24.933 19.993 1.00 0.00 H -ATOM 2316 CD2 LEU A 812 4.355 23.144 20.738 1.00 0.00 C -ATOM 2317 HD21 LEU A 812 4.309 22.483 19.872 1.00 0.00 H -ATOM 2318 HD22 LEU A 812 5.167 22.830 21.394 1.00 0.00 H -ATOM 2319 HD23 LEU A 812 3.411 23.100 21.281 1.00 0.00 H -ATOM 2320 N PHE A 813 7.604 26.788 21.144 1.00 0.00 N -ATOM 2321 H PHE A 813 8.369 26.206 20.746 1.00 0.00 H -ATOM 2322 CA PHE A 813 7.862 27.480 22.405 1.00 0.00 C -ATOM 2323 HA PHE A 813 6.893 27.744 22.829 1.00 0.00 H -ATOM 2324 C PHE A 813 8.709 28.693 22.180 1.00 0.00 C -ATOM 2325 O PHE A 813 9.584 28.983 22.996 1.00 0.00 O -ATOM 2326 CB PHE A 813 8.669 26.585 23.335 1.00 0.00 C -ATOM 2327 HB3 PHE A 813 9.686 26.511 22.950 1.00 0.00 H -ATOM 2328 HB2 PHE A 813 8.689 27.041 24.325 1.00 0.00 H -ATOM 2329 CG PHE A 813 8.119 25.242 23.454 1.00 0.00 C -ATOM 2330 CD1 PHE A 813 6.837 25.057 23.960 1.00 0.00 C -ATOM 2331 HD1 PHE A 813 6.280 25.914 24.339 1.00 0.00 H -ATOM 2332 CD2 PHE A 813 8.826 24.156 22.984 1.00 0.00 C -ATOM 2333 HD2 PHE A 813 9.834 24.293 22.593 1.00 0.00 H -ATOM 2334 CE1 PHE A 813 6.255 23.794 23.990 1.00 0.00 C -ATOM 2335 HE1 PHE A 813 5.248 23.663 24.387 1.00 0.00 H -ATOM 2336 CE2 PHE A 813 8.259 22.884 23.006 1.00 0.00 C -ATOM 2337 HE2 PHE A 813 8.824 22.031 22.630 1.00 0.00 H -ATOM 2338 CZ PHE A 813 6.966 22.698 23.510 1.00 0.00 C -ATOM 2339 HZ PHE A 813 6.520 21.704 23.526 1.00 0.00 H -ATOM 2340 N SER A 814 8.488 29.380 21.071 1.00 0.00 N -ATOM 2341 H SER A 814 7.733 29.078 20.422 1.00 0.00 H -ATOM 2342 CA SER A 814 9.284 30.547 20.748 1.00 0.00 C -ATOM 2343 HA SER A 814 10.033 30.617 21.537 1.00 0.00 H -ATOM 2344 C SER A 814 8.531 31.858 20.778 1.00 0.00 C -ATOM 2345 O SER A 814 9.125 32.897 20.612 1.00 0.00 O -ATOM 2346 CB SER A 814 9.938 30.364 19.374 1.00 0.00 C -ATOM 2347 HB3 SER A 814 10.223 31.340 18.981 1.00 0.00 H -ATOM 2348 HB2 SER A 814 9.223 29.896 18.698 1.00 0.00 H -ATOM 2349 OG SER A 814 11.096 29.544 19.469 1.00 0.00 O -ATOM 2350 HG SER A 814 10.841 28.655 19.822 1.00 0.00 H -ATOM 2351 N ILE A 815 7.242 31.838 21.040 1.00 0.00 N -ATOM 2352 H ILE A 815 6.759 30.941 21.249 1.00 0.00 H -ATOM 2353 CA ILE A 815 6.508 33.083 21.033 1.00 0.00 C -ATOM 2354 HA ILE A 815 7.157 33.930 21.254 1.00 0.00 H -ATOM 2355 C ILE A 815 5.456 33.076 22.149 1.00 0.00 C -ATOM 2356 O ILE A 815 4.526 32.260 22.112 1.00 0.00 O -ATOM 2357 CB ILE A 815 5.937 33.329 19.597 1.00 0.00 C -ATOM 2358 HB ILE A 815 6.757 33.641 18.950 1.00 0.00 H -ATOM 2359 CG1 ILE A 815 4.943 34.477 19.593 1.00 0.00 C -ATOM 2360 HG13 ILE A 815 3.988 34.117 19.212 1.00 0.00 H -ATOM 2361 HG12 ILE A 815 4.813 34.837 20.614 1.00 0.00 H -ATOM 2362 CG2 ILE A 815 5.401 32.041 18.971 1.00 0.00 C -ATOM 2363 HG21 ILE A 815 6.207 31.311 18.899 1.00 0.00 H -ATOM 2364 HG22 ILE A 815 4.601 31.641 19.594 1.00 0.00 H -ATOM 2365 HG23 ILE A 815 5.014 32.256 17.975 1.00 0.00 H -ATOM 2366 CD1 ILE A 815 5.406 35.592 18.748 1.00 0.00 C -ATOM 2367 HD11 ILE A 815 6.359 35.962 19.127 1.00 0.00 H -ATOM 2368 HD12 ILE A 815 5.532 35.242 17.724 1.00 0.00 H -ATOM 2369 HD13 ILE A 815 4.668 36.394 18.771 1.00 0.00 H -ATOM 2370 N ILE A 816 5.645 33.950 23.152 1.00 0.00 N -ATOM 2371 H ILE A 816 6.460 34.593 23.091 1.00 0.00 H -ATOM 2372 CA ILE A 816 4.762 34.056 24.344 1.00 0.00 C -ATOM 2373 HA ILE A 816 3.869 33.513 24.036 1.00 0.00 H -ATOM 2374 C ILE A 816 4.302 35.482 24.731 1.00 0.00 C -ATOM 2375 O ILE A 816 5.002 36.460 24.436 1.00 0.00 O -ATOM 2376 CB ILE A 816 5.446 33.417 25.609 1.00 0.00 C -ATOM 2377 HB ILE A 816 4.730 33.460 26.430 1.00 0.00 H -ATOM 2378 CG1 ILE A 816 6.701 34.194 26.018 1.00 0.00 C -ATOM 2379 HG13 ILE A 816 7.380 34.226 25.166 1.00 0.00 H -ATOM 2380 HG12 ILE A 816 6.407 35.209 26.285 1.00 0.00 H -ATOM 2381 CG2 ILE A 816 5.819 31.970 25.326 1.00 0.00 C -ATOM 2382 HG21 ILE A 816 4.919 31.405 25.081 1.00 0.00 H -ATOM 2383 HG22 ILE A 816 6.513 31.933 24.486 1.00 0.00 H -ATOM 2384 HG23 ILE A 816 6.291 31.539 26.209 1.00 0.00 H -ATOM 2385 CD1 ILE A 816 7.442 33.578 27.204 1.00 0.00 C -ATOM 2386 HD11 ILE A 816 6.780 33.549 28.069 1.00 0.00 H -ATOM 2387 HD12 ILE A 816 7.754 32.565 26.950 1.00 0.00 H -ATOM 2388 HD13 ILE A 816 8.319 34.182 27.436 1.00 0.00 H -ATOM 2389 N PRO A 817 3.123 35.618 25.402 1.00 0.00 N -ATOM 2390 CA PRO A 817 2.619 36.933 25.811 1.00 0.00 C -ATOM 2391 HA PRO A 817 2.370 37.611 24.995 1.00 0.00 H -ATOM 2392 C PRO A 817 3.702 37.599 26.659 1.00 0.00 C -ATOM 2393 O PRO A 817 4.595 36.891 27.163 1.00 0.00 O -ATOM 2394 CB PRO A 817 1.396 36.581 26.662 1.00 0.00 C -ATOM 2395 HB3 PRO A 817 1.680 36.414 27.701 1.00 0.00 H -ATOM 2396 HB2 PRO A 817 0.647 37.372 26.614 1.00 0.00 H -ATOM 2397 CG PRO A 817 0.902 35.368 26.063 1.00 0.00 C -ATOM 2398 HG3 PRO A 817 0.218 34.845 26.731 1.00 0.00 H -ATOM 2399 HG2 PRO A 817 0.401 35.568 25.116 1.00 0.00 H -ATOM 2400 CD PRO A 817 2.186 34.579 25.855 1.00 0.00 C -ATOM 2401 HD3 PRO A 817 2.056 33.806 25.097 1.00 0.00 H -ATOM 2402 HD2 PRO A 817 2.523 34.121 26.785 1.00 0.00 H -ATOM 2403 N VAL A 818 3.663 38.933 26.798 1.00 0.00 N -ATOM 2404 H VAL A 818 2.903 39.478 26.343 1.00 0.00 H -ATOM 2405 CA VAL A 818 4.690 39.631 27.592 1.00 0.00 C -ATOM 2406 HA VAL A 818 5.568 39.074 27.263 1.00 0.00 H -ATOM 2407 C VAL A 818 4.728 39.410 29.124 1.00 0.00 C -ATOM 2408 O VAL A 818 5.801 39.574 29.720 1.00 0.00 O -ATOM 2409 CB VAL A 818 4.893 41.127 27.206 1.00 0.00 C -ATOM 2410 HB VAL A 818 5.408 41.633 28.022 1.00 0.00 H -ATOM 2411 CG1 VAL A 818 5.738 41.211 25.950 1.00 0.00 C -ATOM 2412 HG11 VAL A 818 6.707 40.746 26.134 1.00 0.00 H -ATOM 2413 HG12 VAL A 818 5.232 40.690 25.138 1.00 0.00 H -ATOM 2414 HG13 VAL A 818 5.881 42.257 25.679 1.00 0.00 H -ATOM 2415 CG2 VAL A 818 3.575 41.824 27.009 1.00 0.00 C -ATOM 2416 HG21 VAL A 818 3.021 41.331 26.210 1.00 0.00 H -ATOM 2417 HG22 VAL A 818 3.000 41.779 27.934 1.00 0.00 H -ATOM 2418 HG23 VAL A 818 3.753 42.865 26.741 1.00 0.00 H -ATOM 2419 N ASP A 819 3.607 39.061 29.769 1.00 0.00 N -ATOM 2420 H ASP A 819 2.704 39.015 29.255 1.00 0.00 H -ATOM 2421 CA ASP A 819 3.654 38.741 31.212 1.00 0.00 C -ATOM 2422 HA ASP A 819 4.255 39.466 31.761 1.00 0.00 H -ATOM 2423 C ASP A 819 4.167 37.302 31.212 1.00 0.00 C -ATOM 2424 O ASP A 819 5.322 36.998 31.566 1.00 0.00 O -ATOM 2425 CB ASP A 819 2.270 38.746 31.869 1.00 0.00 C -ATOM 2426 HB3 ASP A 819 2.092 37.769 32.319 1.00 0.00 H -ATOM 2427 HB2 ASP A 819 2.253 39.511 32.645 1.00 0.00 H -ATOM 2428 CG ASP A 819 1.174 39.031 30.888 1.00 0.00 C -ATOM 2429 OD1 ASP A 819 0.947 40.218 30.600 1.00 0.00 O -ATOM 2430 OD2 ASP A 819 0.577 38.069 30.373 1.00 0.00 O -ATOM 2431 N GLY A 820 3.296 36.419 30.758 1.00 0.00 N -ATOM 2432 H GLY A 820 2.349 36.730 30.462 1.00 0.00 H -ATOM 2433 CA GLY A 820 3.652 35.034 30.672 1.00 0.00 C -ATOM 2434 HA3 GLY A 820 4.340 34.868 29.843 1.00 0.00 H -ATOM 2435 HA2 GLY A 820 4.117 34.702 31.600 1.00 0.00 H -ATOM 2436 C GLY A 820 2.369 34.304 30.440 1.00 0.00 C -ATOM 2437 O GLY A 820 1.293 34.894 30.200 1.00 0.00 O -ATOM 2438 N LEU A 821 2.497 32.995 30.500 1.00 0.00 N -ATOM 2439 H LEU A 821 3.438 32.590 30.678 1.00 0.00 H -ATOM 2440 CA LEU A 821 1.378 32.105 30.327 1.00 0.00 C -ATOM 2441 HA LEU A 821 0.601 32.486 29.664 1.00 0.00 H -ATOM 2442 C LEU A 821 0.787 31.902 31.733 1.00 0.00 C -ATOM 2443 O LEU A 821 1.456 32.188 32.737 1.00 0.00 O -ATOM 2444 CB LEU A 821 1.905 30.808 29.708 1.00 0.00 C -ATOM 2445 HB3 LEU A 821 2.644 30.377 30.383 1.00 0.00 H -ATOM 2446 HB2 LEU A 821 1.072 30.115 29.593 1.00 0.00 H -ATOM 2447 CG LEU A 821 2.560 31.017 28.336 1.00 0.00 C -ATOM 2448 HG LEU A 821 2.795 32.075 28.218 1.00 0.00 H -ATOM 2449 CD1 LEU A 821 3.858 30.259 28.235 1.00 0.00 C -ATOM 2450 HD11 LEU A 821 4.543 30.610 29.007 1.00 0.00 H -ATOM 2451 HD12 LEU A 821 3.667 29.195 28.373 1.00 0.00 H -ATOM 2452 HD13 LEU A 821 4.299 30.426 27.252 1.00 0.00 H -ATOM 2453 CD2 LEU A 821 1.602 30.622 27.240 1.00 0.00 C -ATOM 2454 HD21 LEU A 821 1.335 29.571 27.354 1.00 0.00 H -ATOM 2455 HD22 LEU A 821 0.704 31.236 27.306 1.00 0.00 H -ATOM 2456 HD23 LEU A 821 2.078 30.775 26.271 1.00 0.00 H -ATOM 2457 N LYS A 822 -0.437 31.393 31.820 1.00 0.00 N -ATOM 2458 H LYS A 822 -0.938 31.137 30.946 1.00 0.00 H -ATOM 2459 CA LYS A 822 -1.103 31.181 33.105 1.00 0.00 C -ATOM 2460 HA LYS A 822 -0.983 32.084 33.704 1.00 0.00 H -ATOM 2461 C LYS A 822 -0.449 30.065 33.935 1.00 0.00 C -ATOM 2462 O LYS A 822 -1.111 29.361 34.709 1.00 0.00 O -ATOM 2463 CB LYS A 822 -2.609 30.951 32.880 1.00 0.00 C -ATOM 2464 HB3 LYS A 822 -2.736 30.115 32.192 1.00 0.00 H -ATOM 2465 HB2 LYS A 822 -3.071 30.706 33.836 1.00 0.00 H -ATOM 2466 CG LYS A 822 -3.321 32.193 32.288 1.00 0.00 C -ATOM 2467 HG3 LYS A 822 -3.411 32.940 33.077 1.00 0.00 H -ATOM 2468 HG2 LYS A 822 -2.700 32.589 31.484 1.00 0.00 H -ATOM 2469 CD LYS A 822 -4.729 31.923 31.719 1.00 0.00 C -ATOM 2470 HD3 LYS A 822 -4.655 31.151 30.953 1.00 0.00 H -ATOM 2471 HD2 LYS A 822 -5.371 31.571 32.526 1.00 0.00 H -ATOM 2472 CE LYS A 822 -5.371 33.194 31.088 1.00 0.00 C -ATOM 2473 HE3 LYS A 822 -5.557 33.912 31.887 1.00 0.00 H -ATOM 2474 HE2 LYS A 822 -6.319 32.904 30.634 1.00 0.00 H -ATOM 2475 NZ LYS A 822 -4.534 33.875 30.032 1.00 0.00 N -ATOM 2476 HZ1 LYS A 822 -3.629 34.173 30.448 1.00 0.00 H -ATOM 2477 HZ2 LYS A 822 -4.356 33.212 29.251 1.00 0.00 H -ATOM 2478 HZ3 LYS A 822 -5.043 34.708 29.672 1.00 0.00 H -ATOM 2479 N ASN A 823 0.862 29.930 33.744 1.00 0.00 N -ATOM 2480 H ASN A 823 1.301 30.560 33.043 1.00 0.00 H -ATOM 2481 CA ASN A 823 1.739 28.988 34.419 1.00 0.00 C -ATOM 2482 HA ASN A 823 1.912 29.345 35.434 1.00 0.00 H -ATOM 2483 C ASN A 823 3.025 28.904 33.616 1.00 0.00 C -ATOM 2484 O ASN A 823 3.364 27.879 33.017 1.00 0.00 O -ATOM 2485 CB ASN A 823 1.138 27.611 34.544 1.00 0.00 C -ATOM 2486 HB3 ASN A 823 0.238 27.671 35.156 1.00 0.00 H -ATOM 2487 HB2 ASN A 823 0.876 27.247 33.550 1.00 0.00 H -ATOM 2488 CG ASN A 823 2.094 26.649 35.178 1.00 0.00 C -ATOM 2489 OD1 ASN A 823 3.101 27.051 35.811 1.00 0.00 O -ATOM 2490 ND2 ASN A 823 1.830 25.367 34.986 1.00 0.00 N -ATOM 2491 HD21 ASN A 823 2.470 24.641 35.367 1.00 0.00 H -ATOM 2492 HD22 ASN A 823 0.982 25.085 34.454 1.00 0.00 H -ATOM 2493 N GLN A 824 3.743 30.012 33.631 1.00 0.00 N -ATOM 2494 H GLN A 824 3.394 30.820 34.185 1.00 0.00 H -ATOM 2495 CA GLN A 824 4.993 30.158 32.914 1.00 0.00 C -ATOM 2496 HA GLN A 824 4.808 29.953 31.860 1.00 0.00 H -ATOM 2497 C GLN A 824 6.069 29.145 33.329 1.00 0.00 C -ATOM 2498 O GLN A 824 6.826 28.677 32.483 1.00 0.00 O -ATOM 2499 CB GLN A 824 5.485 31.592 33.129 1.00 0.00 C -ATOM 2500 HB3 GLN A 824 4.699 32.268 32.792 1.00 0.00 H -ATOM 2501 HB2 GLN A 824 5.649 31.731 34.198 1.00 0.00 H -ATOM 2502 CG GLN A 824 6.761 31.972 32.412 1.00 0.00 C -ATOM 2503 HG3 GLN A 824 7.204 32.829 32.919 1.00 0.00 H -ATOM 2504 HG2 GLN A 824 7.451 31.129 32.456 1.00 0.00 H -ATOM 2505 CD GLN A 824 6.532 32.329 30.976 1.00 0.00 C -ATOM 2506 OE1 GLN A 824 5.462 32.833 30.602 1.00 0.00 O -ATOM 2507 NE2 GLN A 824 7.533 32.078 30.150 1.00 0.00 N -ATOM 2508 HE21 GLN A 824 7.442 32.304 29.139 1.00 0.00 H -ATOM 2509 HE22 GLN A 824 8.411 31.654 30.511 1.00 0.00 H -ATOM 2510 N LYS A 825 6.099 28.777 34.613 1.00 0.00 N -ATOM 2511 H LYS A 825 5.383 29.170 35.257 1.00 0.00 H -ATOM 2512 CA LYS A 825 7.098 27.841 35.160 1.00 0.00 C -ATOM 2513 HA LYS A 825 8.042 28.379 35.080 1.00 0.00 H -ATOM 2514 C LYS A 825 7.351 26.550 34.357 1.00 0.00 C -ATOM 2515 O LYS A 825 8.497 26.236 34.015 1.00 0.00 O -ATOM 2516 CB LYS A 825 6.769 27.515 36.626 1.00 0.00 C -ATOM 2517 HB3 LYS A 825 5.699 27.322 36.702 1.00 0.00 H -ATOM 2518 HB2 LYS A 825 7.320 26.618 36.909 1.00 0.00 H -ATOM 2519 CG LYS A 825 7.128 28.634 37.617 1.00 0.00 C -ATOM 2520 HG3 LYS A 825 8.207 28.630 37.773 1.00 0.00 H -ATOM 2521 HG2 LYS A 825 6.827 29.590 37.188 1.00 0.00 H -ATOM 2522 CD LYS A 825 6.432 28.463 38.979 1.00 0.00 C -ATOM 2523 HD3 LYS A 825 5.403 28.811 38.888 1.00 0.00 H -ATOM 2524 HD2 LYS A 825 6.434 27.404 39.239 1.00 0.00 H -ATOM 2525 CE LYS A 825 7.122 29.254 40.125 1.00 0.00 C -ATOM 2526 HE3 LYS A 825 8.148 28.892 40.194 1.00 0.00 H -ATOM 2527 HE2 LYS A 825 6.591 29.016 41.046 1.00 0.00 H -ATOM 2528 NZ LYS A 825 7.186 30.763 40.023 1.00 0.00 N -ATOM 2529 HZ1 LYS A 825 7.708 31.029 39.164 1.00 0.00 H -ATOM 2530 HZ2 LYS A 825 6.221 31.147 39.977 1.00 0.00 H -ATOM 2531 HZ3 LYS A 825 7.674 31.145 40.858 1.00 0.00 H -ATOM 2532 N PHE A 826 6.285 25.811 34.053 1.00 0.00 N -ATOM 2533 H PHE A 826 5.345 26.127 34.366 1.00 0.00 H -ATOM 2534 CA PHE A 826 6.399 24.562 33.288 1.00 0.00 C -ATOM 2535 HA PHE A 826 7.134 23.926 33.782 1.00 0.00 H -ATOM 2536 C PHE A 826 6.892 24.863 31.853 1.00 0.00 C -ATOM 2537 O PHE A 826 7.847 24.243 31.395 1.00 0.00 O -ATOM 2538 CB PHE A 826 5.063 23.774 33.273 1.00 0.00 C -ATOM 2539 HB3 PHE A 826 4.292 24.420 32.853 1.00 0.00 H -ATOM 2540 HB2 PHE A 826 5.191 22.900 32.635 1.00 0.00 H -ATOM 2541 CG PHE A 826 4.588 23.295 34.653 1.00 0.00 C -ATOM 2542 CD1 PHE A 826 5.443 23.288 35.770 1.00 0.00 C -ATOM 2543 HD1 PHE A 826 6.468 23.642 35.661 1.00 0.00 H -ATOM 2544 CD2 PHE A 826 3.273 22.832 34.831 1.00 0.00 C -ATOM 2545 HD2 PHE A 826 2.590 22.829 33.982 1.00 0.00 H -ATOM 2546 CE1 PHE A 826 4.994 22.827 37.040 1.00 0.00 C -ATOM 2547 HE1 PHE A 826 5.673 22.832 37.893 1.00 0.00 H -ATOM 2548 CE2 PHE A 826 2.813 22.367 36.097 1.00 0.00 C -ATOM 2549 HE2 PHE A 826 1.789 22.012 36.210 1.00 0.00 H -ATOM 2550 CZ PHE A 826 3.681 22.368 37.193 1.00 0.00 C -ATOM 2551 HZ PHE A 826 3.336 22.012 38.164 1.00 0.00 H -ATOM 2552 N PHE A 827 6.272 25.835 31.168 1.00 0.00 N -ATOM 2553 H PHE A 827 5.476 26.330 31.618 1.00 0.00 H -ATOM 2554 CA PHE A 827 6.670 26.234 29.800 1.00 0.00 C -ATOM 2555 HA PHE A 827 6.366 25.450 29.107 1.00 0.00 H -ATOM 2556 C PHE A 827 8.181 26.414 29.746 1.00 0.00 C -ATOM 2557 O PHE A 827 8.848 25.934 28.835 1.00 0.00 O -ATOM 2558 CB PHE A 827 5.964 27.558 29.375 1.00 0.00 C -ATOM 2559 HB3 PHE A 827 4.902 27.351 29.245 1.00 0.00 H -ATOM 2560 HB2 PHE A 827 6.095 28.286 30.176 1.00 0.00 H -ATOM 2561 CG PHE A 827 6.497 28.177 28.070 1.00 0.00 C -ATOM 2562 CD1 PHE A 827 7.750 28.793 28.018 1.00 0.00 C -ATOM 2563 HD1 PHE A 827 8.355 28.853 28.923 1.00 0.00 H -ATOM 2564 CD2 PHE A 827 5.742 28.125 26.900 1.00 0.00 C -ATOM 2565 HD2 PHE A 827 4.758 27.656 26.917 1.00 0.00 H -ATOM 2566 CE1 PHE A 827 8.239 29.331 26.834 1.00 0.00 C -ATOM 2567 HE1 PHE A 827 9.221 29.803 26.813 1.00 0.00 H -ATOM 2568 CE2 PHE A 827 6.225 28.664 25.705 1.00 0.00 C -ATOM 2569 HE2 PHE A 827 5.622 28.612 24.798 1.00 0.00 H -ATOM 2570 CZ PHE A 827 7.472 29.265 25.676 1.00 0.00 C -ATOM 2571 HZ PHE A 827 7.852 29.686 24.746 1.00 0.00 H -ATOM 2572 N ASP A 828 8.705 27.105 30.745 1.00 0.00 N -ATOM 2573 H ASP A 828 8.077 27.457 31.496 1.00 0.00 H -ATOM 2574 CA ASP A 828 10.120 27.388 30.829 1.00 0.00 C -ATOM 2575 HA ASP A 828 10.456 27.781 29.869 1.00 0.00 H -ATOM 2576 C ASP A 828 10.933 26.130 31.071 1.00 0.00 C -ATOM 2577 O ASP A 828 12.107 26.056 30.681 1.00 0.00 O -ATOM 2578 CB ASP A 828 10.371 28.459 31.899 1.00 0.00 C -ATOM 2579 HB3 ASP A 828 9.953 28.114 32.845 1.00 0.00 H -ATOM 2580 HB2 ASP A 828 11.446 28.600 32.008 1.00 0.00 H -ATOM 2581 CG ASP A 828 9.730 29.810 31.539 1.00 0.00 C -ATOM 2582 OD1 ASP A 828 9.610 30.121 30.329 1.00 0.00 O -ATOM 2583 OD2 ASP A 828 9.357 30.576 32.461 1.00 0.00 O -ATOM 2584 N GLU A 829 10.313 25.138 31.703 1.00 0.00 N -ATOM 2585 H GLU A 829 9.334 25.265 32.029 1.00 0.00 H -ATOM 2586 CA GLU A 829 10.997 23.875 31.941 1.00 0.00 C -ATOM 2587 HA GLU A 829 12.024 24.054 32.260 1.00 0.00 H -ATOM 2588 C GLU A 829 10.952 23.103 30.622 1.00 0.00 C -ATOM 2589 O GLU A 829 11.969 22.573 30.177 1.00 0.00 O -ATOM 2590 CB GLU A 829 10.350 23.073 33.076 1.00 0.00 C -ATOM 2591 HB3 GLU A 829 9.825 23.767 33.733 1.00 0.00 H -ATOM 2592 HB2 GLU A 829 9.635 22.375 32.641 1.00 0.00 H -ATOM 2593 CG GLU A 829 11.366 22.268 33.925 1.00 0.00 C -ATOM 2594 HG3 GLU A 829 12.314 22.242 33.388 1.00 0.00 H -ATOM 2595 HG2 GLU A 829 11.502 22.785 34.875 1.00 0.00 H -ATOM 2596 CD GLU A 829 10.939 20.814 34.222 1.00 0.00 C -ATOM 2597 OE1 GLU A 829 9.952 20.603 34.969 1.00 0.00 O -ATOM 2598 OE2 GLU A 829 11.619 19.881 33.727 1.00 0.00 O -ATOM 2599 N LEU A 830 9.794 23.102 29.962 1.00 0.00 N -ATOM 2600 H LEU A 830 8.978 23.591 30.383 1.00 0.00 H -ATOM 2601 CA LEU A 830 9.626 22.436 28.661 1.00 0.00 C -ATOM 2602 HA LEU A 830 9.772 21.367 28.819 1.00 0.00 H -ATOM 2603 C LEU A 830 10.621 23.003 27.673 1.00 0.00 C -ATOM 2604 O LEU A 830 11.366 22.261 27.031 1.00 0.00 O -ATOM 2605 CB LEU A 830 8.240 22.701 28.083 1.00 0.00 C -ATOM 2606 HB3 LEU A 830 7.801 23.528 28.642 1.00 0.00 H -ATOM 2607 HB2 LEU A 830 8.367 22.995 27.041 1.00 0.00 H -ATOM 2608 CG LEU A 830 7.257 21.551 28.118 1.00 0.00 C -ATOM 2609 HG LEU A 830 6.885 21.401 29.131 1.00 0.00 H -ATOM 2610 CD1 LEU A 830 6.108 21.877 27.212 1.00 0.00 C -ATOM 2611 HD11 LEU A 830 5.624 22.791 27.556 1.00 0.00 H -ATOM 2612 HD12 LEU A 830 6.477 22.020 26.196 1.00 0.00 H -ATOM 2613 HD13 LEU A 830 5.391 21.056 27.227 1.00 0.00 H -ATOM 2614 CD2 LEU A 830 7.951 20.268 27.671 1.00 0.00 C -ATOM 2615 HD21 LEU A 830 8.325 20.394 26.655 1.00 0.00 H -ATOM 2616 HD22 LEU A 830 8.783 20.054 28.342 1.00 0.00 H -ATOM 2617 HD23 LEU A 830 7.239 19.443 27.698 1.00 0.00 H -ATOM 2618 N ARG A 831 10.621 24.333 27.566 1.00 0.00 N -ATOM 2619 H ARG A 831 9.963 24.881 28.156 1.00 0.00 H -ATOM 2620 CA ARG A 831 11.504 25.048 26.658 1.00 0.00 C -ATOM 2621 HA ARG A 831 11.246 24.740 25.645 1.00 0.00 H -ATOM 2622 C ARG A 831 12.977 24.673 26.862 1.00 0.00 C -ATOM 2623 O ARG A 831 13.690 24.354 25.901 1.00 0.00 O -ATOM 2624 CB ARG A 831 11.285 26.566 26.765 1.00 0.00 C -ATOM 2625 HB3 ARG A 831 10.245 26.792 26.528 1.00 0.00 H -ATOM 2626 HB2 ARG A 831 11.501 26.884 27.785 1.00 0.00 H -ATOM 2627 CG ARG A 831 12.179 27.322 25.816 1.00 0.00 C -ATOM 2628 HG3 ARG A 831 13.211 27.181 26.139 1.00 0.00 H -ATOM 2629 HG2 ARG A 831 12.050 26.898 24.820 1.00 0.00 H -ATOM 2630 CD ARG A 831 11.915 28.804 25.731 1.00 0.00 C -ATOM 2631 HD3 ARG A 831 11.849 29.226 26.734 1.00 0.00 H -ATOM 2632 HD2 ARG A 831 10.979 28.983 25.201 1.00 0.00 H -ATOM 2633 NE ARG A 831 13.020 29.423 25.006 1.00 0.00 N -ATOM 2634 HE ARG A 831 13.826 29.773 25.563 1.00 0.00 H -ATOM 2635 CZ ARG A 831 13.073 29.573 23.682 1.00 0.00 C -ATOM 2636 NH1 ARG A 831 12.060 29.164 22.926 1.00 0.00 N -ATOM 2637 HH11 ARG A 831 11.226 28.727 23.367 1.00 0.00 H -ATOM 2638 HH12 ARG A 831 12.101 29.281 21.893 1.00 0.00 H -ATOM 2639 NH2 ARG A 831 14.178 30.050 23.104 1.00 0.00 N -ATOM 2640 HH21 ARG A 831 15.001 30.306 23.687 1.00 0.00 H -ATOM 2641 HH22 ARG A 831 14.216 30.166 22.071 1.00 0.00 H -ATOM 2642 N MET A 832 13.411 24.625 28.116 1.00 0.00 N -ATOM 2643 H MET A 832 12.749 24.837 28.889 1.00 0.00 H -ATOM 2644 CA MET A 832 14.799 24.281 28.440 1.00 0.00 C -ATOM 2645 HA MET A 832 15.387 25.001 27.870 1.00 0.00 H -ATOM 2646 C MET A 832 15.239 22.880 27.996 1.00 0.00 C -ATOM 2647 O MET A 832 16.400 22.662 27.602 1.00 0.00 O -ATOM 2648 CB MET A 832 15.065 24.409 29.941 1.00 0.00 C -ATOM 2649 HB3 MET A 832 14.933 25.449 30.241 1.00 0.00 H -ATOM 2650 HB2 MET A 832 14.358 23.783 30.485 1.00 0.00 H -ATOM 2651 CG MET A 832 16.486 23.967 30.274 1.00 0.00 C -ATOM 2652 HG3 MET A 832 17.160 24.761 29.953 1.00 0.00 H -ATOM 2653 HG2 MET A 832 16.691 23.064 29.700 1.00 0.00 H -ATOM 2654 SD MET A 832 16.856 23.608 31.997 1.00 0.00 S -ATOM 2655 CE MET A 832 15.233 23.187 32.715 1.00 0.00 C -ATOM 2656 HE1 MET A 832 14.558 24.036 32.607 1.00 0.00 H -ATOM 2657 HE2 MET A 832 14.819 22.324 32.194 1.00 0.00 H -ATOM 2658 HE3 MET A 832 15.355 22.951 33.772 1.00 0.00 H -ATOM 2659 N ASN A 833 14.339 21.914 28.141 1.00 0.00 N -ATOM 2660 H ASN A 833 13.401 22.134 28.533 1.00 0.00 H -ATOM 2661 CA ASN A 833 14.661 20.552 27.754 1.00 0.00 C -ATOM 2662 HA ASN A 833 15.654 20.323 28.140 1.00 0.00 H -ATOM 2663 C ASN A 833 14.756 20.387 26.255 1.00 0.00 C -ATOM 2664 O ASN A 833 15.670 19.729 25.766 1.00 0.00 O -ATOM 2665 CB ASN A 833 13.689 19.580 28.379 1.00 0.00 C -ATOM 2666 HB3 ASN A 833 12.701 20.040 28.411 1.00 0.00 H -ATOM 2667 HB2 ASN A 833 13.649 18.678 27.768 1.00 0.00 H -ATOM 2668 CG ASN A 833 14.098 19.202 29.782 1.00 0.00 C -ATOM 2669 OD1 ASN A 833 15.262 18.849 30.041 1.00 0.00 O -ATOM 2670 ND2 ASN A 833 13.161 19.299 30.705 1.00 0.00 N -ATOM 2671 HD21 ASN A 833 13.383 19.076 31.696 1.00 0.00 H -ATOM 2672 HD22 ASN A 833 12.201 19.599 30.442 1.00 0.00 H -ATOM 2673 N TYR A 834 13.866 21.048 25.523 1.00 0.00 N -ATOM 2674 H TYR A 834 13.121 21.601 25.993 1.00 0.00 H -ATOM 2675 CA TYR A 834 13.923 21.006 24.074 1.00 0.00 C -ATOM 2676 HA TYR A 834 13.870 19.972 23.734 1.00 0.00 H -ATOM 2677 C TYR A 834 15.260 21.582 23.589 1.00 0.00 C -ATOM 2678 O TYR A 834 15.891 21.044 22.670 1.00 0.00 O -ATOM 2679 CB TYR A 834 12.723 21.729 23.473 1.00 0.00 C -ATOM 2680 HB3 TYR A 834 12.513 22.617 24.069 1.00 0.00 H -ATOM 2681 HB2 TYR A 834 12.966 22.026 22.453 1.00 0.00 H -ATOM 2682 CG TYR A 834 11.480 20.849 23.446 1.00 0.00 C -ATOM 2683 CD1 TYR A 834 10.724 20.630 24.597 1.00 0.00 C -ATOM 2684 HD1 TYR A 834 11.007 21.129 25.524 1.00 0.00 H -ATOM 2685 CD2 TYR A 834 11.085 20.196 22.274 1.00 0.00 C -ATOM 2686 HD2 TYR A 834 11.655 20.351 21.358 1.00 0.00 H -ATOM 2687 CE1 TYR A 834 9.598 19.774 24.587 1.00 0.00 C -ATOM 2688 HE1 TYR A 834 9.022 19.620 25.499 1.00 0.00 H -ATOM 2689 CE2 TYR A 834 9.959 19.337 22.255 1.00 0.00 C -ATOM 2690 HE2 TYR A 834 9.667 18.839 21.331 1.00 0.00 H -ATOM 2691 CZ TYR A 834 9.229 19.132 23.416 1.00 0.00 C -ATOM 2692 OH TYR A 834 8.164 18.264 23.404 1.00 0.00 O -ATOM 2693 HH TYR A 834 7.755 18.233 24.305 1.00 0.00 H -ATOM 2694 N ILE A 835 15.754 22.607 24.275 1.00 0.00 N -ATOM 2695 H ILE A 835 15.223 22.993 25.082 1.00 0.00 H -ATOM 2696 CA ILE A 835 17.042 23.197 23.901 1.00 0.00 C -ATOM 2697 HA ILE A 835 16.976 23.550 22.872 1.00 0.00 H -ATOM 2698 C ILE A 835 18.103 22.133 24.060 1.00 0.00 C -ATOM 2699 O ILE A 835 18.995 21.997 23.217 1.00 0.00 O -ATOM 2700 CB ILE A 835 17.408 24.417 24.782 1.00 0.00 C -ATOM 2701 HB ILE A 835 17.406 24.136 25.835 1.00 0.00 H -ATOM 2702 CG1 ILE A 835 16.357 25.512 24.558 1.00 0.00 C -ATOM 2703 HG13 ILE A 835 16.318 25.729 23.491 1.00 0.00 H -ATOM 2704 HG12 ILE A 835 15.392 25.125 24.884 1.00 0.00 H -ATOM 2705 CG2 ILE A 835 18.832 24.912 24.457 1.00 0.00 C -ATOM 2706 HG21 ILE A 835 19.546 24.111 24.647 1.00 0.00 H -ATOM 2707 HG22 ILE A 835 18.883 25.204 23.408 1.00 0.00 H -ATOM 2708 HG23 ILE A 835 19.070 25.769 25.087 1.00 0.00 H -ATOM 2709 CD1 ILE A 835 16.610 26.802 25.286 1.00 0.00 C -ATOM 2710 HD11 ILE A 835 16.637 26.613 26.359 1.00 0.00 H -ATOM 2711 HD12 ILE A 835 17.565 27.218 24.965 1.00 0.00 H -ATOM 2712 HD13 ILE A 835 15.811 27.508 25.060 1.00 0.00 H -ATOM 2713 N LYS A 836 17.980 21.373 25.144 1.00 0.00 N -ATOM 2714 H LYS A 836 17.187 21.543 25.795 1.00 0.00 H -ATOM 2715 CA LYS A 836 18.925 20.313 25.442 1.00 0.00 C -ATOM 2716 HA LYS A 836 19.928 20.740 25.465 1.00 0.00 H -ATOM 2717 C LYS A 836 18.846 19.252 24.363 1.00 0.00 C -ATOM 2718 O LYS A 836 19.866 18.780 23.914 1.00 0.00 O -ATOM 2719 CB LYS A 836 18.655 19.694 26.813 1.00 0.00 C -ATOM 2720 HB3 LYS A 836 17.580 19.541 26.906 1.00 0.00 H -ATOM 2721 HB2 LYS A 836 19.162 18.730 26.851 1.00 0.00 H -ATOM 2722 CG LYS A 836 19.116 20.512 28.011 1.00 0.00 C -ATOM 2723 HG3 LYS A 836 20.205 20.559 28.029 1.00 0.00 H -ATOM 2724 HG2 LYS A 836 18.711 21.522 27.946 1.00 0.00 H -ATOM 2725 CD LYS A 836 18.609 19.834 29.274 1.00 0.00 C -ATOM 2726 HD3 LYS A 836 17.542 20.034 29.373 1.00 0.00 H -ATOM 2727 HD2 LYS A 836 18.768 18.760 29.181 1.00 0.00 H -ATOM 2728 CE LYS A 836 19.311 20.321 30.524 1.00 0.00 C -ATOM 2729 HE3 LYS A 836 19.213 21.405 30.592 1.00 0.00 H -ATOM 2730 HE2 LYS A 836 20.367 20.055 30.470 1.00 0.00 H -ATOM 2731 NZ LYS A 836 18.709 19.697 31.735 1.00 0.00 N -ATOM 2732 HZ1 LYS A 836 17.702 19.952 31.791 1.00 0.00 H -ATOM 2733 HZ2 LYS A 836 18.803 18.663 31.674 1.00 0.00 H -ATOM 2734 HZ3 LYS A 836 19.202 20.042 32.583 1.00 0.00 H -ATOM 2735 N GLU A 837 17.655 18.928 23.883 1.00 0.00 N -ATOM 2736 H GLU A 837 16.802 19.404 24.239 1.00 0.00 H -ATOM 2737 CA GLU A 837 17.543 17.899 22.851 1.00 0.00 C -ATOM 2738 HA GLU A 837 18.007 16.994 23.244 1.00 0.00 H -ATOM 2739 C GLU A 837 18.253 18.344 21.603 1.00 0.00 C -ATOM 2740 O GLU A 837 18.902 17.549 20.922 1.00 0.00 O -ATOM 2741 CB GLU A 837 16.077 17.573 22.516 1.00 0.00 C -ATOM 2742 HB3 GLU A 837 15.606 18.487 22.154 1.00 0.00 H -ATOM 2743 HB2 GLU A 837 16.074 16.826 21.723 1.00 0.00 H -ATOM 2744 CG GLU A 837 15.226 17.032 23.675 1.00 0.00 C -ATOM 2745 HG3 GLU A 837 14.950 17.868 24.317 1.00 0.00 H -ATOM 2746 HG2 GLU A 837 14.325 16.583 23.258 1.00 0.00 H -ATOM 2747 CD GLU A 837 15.937 15.978 24.534 1.00 0.00 C -ATOM 2748 OE1 GLU A 837 16.915 15.332 24.076 1.00 0.00 O -ATOM 2749 OE2 GLU A 837 15.512 15.804 25.696 1.00 0.00 O -ATOM 2750 N LEU A 838 18.113 19.627 21.305 1.00 0.00 N -ATOM 2751 H LEU A 838 17.536 20.229 21.927 1.00 0.00 H -ATOM 2752 CA LEU A 838 18.739 20.218 20.139 1.00 0.00 C -ATOM 2753 HA LEU A 838 18.424 19.687 19.241 1.00 0.00 H -ATOM 2754 C LEU A 838 20.244 20.120 20.285 1.00 0.00 C -ATOM 2755 O LEU A 838 20.949 19.835 19.332 1.00 0.00 O -ATOM 2756 CB LEU A 838 18.324 21.675 20.019 1.00 0.00 C -ATOM 2757 HB3 LEU A 838 17.256 21.707 19.804 1.00 0.00 H -ATOM 2758 HB2 LEU A 838 18.515 22.162 20.975 1.00 0.00 H -ATOM 2759 CG LEU A 838 19.051 22.463 18.932 1.00 0.00 C -ATOM 2760 HG LEU A 838 20.126 22.453 19.112 1.00 0.00 H -ATOM 2761 CD1 LEU A 838 18.810 21.814 17.567 1.00 0.00 C -ATOM 2762 HD11 LEU A 838 19.185 20.791 17.581 1.00 0.00 H -ATOM 2763 HD12 LEU A 838 17.741 21.808 17.353 1.00 0.00 H -ATOM 2764 HD13 LEU A 838 19.333 22.383 16.798 1.00 0.00 H -ATOM 2765 CD2 LEU A 838 18.571 23.909 18.964 1.00 0.00 C -ATOM 2766 HD21 LEU A 838 17.496 23.938 18.784 1.00 0.00 H -ATOM 2767 HD22 LEU A 838 18.789 24.341 19.941 1.00 0.00 H -ATOM 2768 HD23 LEU A 838 19.086 24.479 18.190 1.00 0.00 H -ATOM 2769 N ASP A 839 20.713 20.346 21.501 1.00 0.00 N -ATOM 2770 H ASP A 839 20.034 20.579 22.254 1.00 0.00 H -ATOM 2771 CA ASP A 839 22.129 20.286 21.844 1.00 0.00 C -ATOM 2772 HA ASP A 839 22.727 20.918 21.187 1.00 0.00 H -ATOM 2773 C ASP A 839 22.630 18.829 21.696 1.00 0.00 C -ATOM 2774 O ASP A 839 23.750 18.569 21.224 1.00 0.00 O -ATOM 2775 CB ASP A 839 22.262 20.760 23.305 1.00 0.00 C -ATOM 2776 HB3 ASP A 839 21.569 21.586 23.463 1.00 0.00 H -ATOM 2777 HB2 ASP A 839 21.994 19.932 23.961 1.00 0.00 H -ATOM 2778 CG ASP A 839 23.673 21.234 23.674 1.00 0.00 C -ATOM 2779 OD1 ASP A 839 24.584 21.284 22.812 1.00 0.00 O -ATOM 2780 OD2 ASP A 839 23.850 21.598 24.860 1.00 0.00 O -ATOM 2781 N ARG A 840 21.768 17.884 22.081 1.00 0.00 N -ATOM 2782 H ARG A 840 20.839 18.181 22.441 1.00 0.00 H -ATOM 2783 CA ARG A 840 22.065 16.453 22.022 1.00 0.00 C -ATOM 2784 HA ARG A 840 22.975 16.278 22.596 1.00 0.00 H -ATOM 2785 C ARG A 840 22.280 16.022 20.591 1.00 0.00 C -ATOM 2786 O ARG A 840 23.331 15.468 20.268 1.00 0.00 O -ATOM 2787 CB ARG A 840 20.927 15.623 22.643 1.00 0.00 C -ATOM 2788 HB3 ARG A 840 20.925 15.800 23.719 1.00 0.00 H -ATOM 2789 HB2 ARG A 840 19.984 15.967 22.218 1.00 0.00 H -ATOM 2790 CG ARG A 840 21.035 14.114 22.407 1.00 0.00 C -ATOM 2791 HG3 ARG A 840 20.670 13.887 21.405 1.00 0.00 H -ATOM 2792 HG2 ARG A 840 22.081 13.818 22.487 1.00 0.00 H -ATOM 2793 CD ARG A 840 20.219 13.320 23.422 1.00 0.00 C -ATOM 2794 HD3 ARG A 840 20.307 12.259 23.190 1.00 0.00 H -ATOM 2795 HD2 ARG A 840 19.174 13.622 23.346 1.00 0.00 H -ATOM 2796 NE ARG A 840 20.676 13.542 24.799 1.00 0.00 N -ATOM 2797 HE ARG A 840 21.702 13.599 24.961 1.00 0.00 H -ATOM 2798 CZ ARG A 840 19.875 13.676 25.861 1.00 0.00 C -ATOM 2799 NH1 ARG A 840 18.550 13.618 25.718 1.00 0.00 N -ATOM 2800 HH11 ARG A 840 18.135 13.468 24.776 1.00 0.00 H -ATOM 2801 HH12 ARG A 840 17.932 13.723 26.548 1.00 0.00 H -ATOM 2802 NH2 ARG A 840 20.404 13.889 27.066 1.00 0.00 N -ATOM 2803 HH21 ARG A 840 21.436 13.950 27.177 1.00 0.00 H -ATOM 2804 HH22 ARG A 840 19.784 13.994 27.895 1.00 0.00 H -ATOM 2805 N ILE A 841 21.298 16.311 19.739 1.00 0.00 N -ATOM 2806 H ILE A 841 20.461 16.812 20.098 1.00 0.00 H -ATOM 2807 CA ILE A 841 21.344 15.956 18.325 1.00 0.00 C -ATOM 2808 HA ILE A 841 21.558 14.887 18.305 1.00 0.00 H -ATOM 2809 C ILE A 841 22.494 16.602 17.508 1.00 0.00 C -ATOM 2810 O ILE A 841 22.706 16.276 16.327 1.00 0.00 O -ATOM 2811 CB ILE A 841 19.998 16.261 17.674 1.00 0.00 C -ATOM 2812 HB ILE A 841 19.965 15.786 16.694 1.00 0.00 H -ATOM 2813 CG1 ILE A 841 19.813 17.765 17.505 1.00 0.00 C -ATOM 2814 HG13 ILE A 841 19.461 18.180 18.449 1.00 0.00 H -ATOM 2815 HG12 ILE A 841 20.776 18.207 17.252 1.00 0.00 H -ATOM 2816 CG2 ILE A 841 18.887 15.730 18.567 1.00 0.00 C -ATOM 2817 HG21 ILE A 841 19.003 14.653 18.688 1.00 0.00 H -ATOM 2818 HG22 ILE A 841 18.944 16.214 19.542 1.00 0.00 H -ATOM 2819 HG23 ILE A 841 17.921 15.944 18.109 1.00 0.00 H -ATOM 2820 CD1 ILE A 841 18.835 18.115 16.439 1.00 0.00 C -ATOM 2821 HD11 ILE A 841 19.180 17.714 15.486 1.00 0.00 H -ATOM 2822 HD12 ILE A 841 17.863 17.687 16.685 1.00 0.00 H -ATOM 2823 HD13 ILE A 841 18.749 19.199 16.369 1.00 0.00 H -ATOM 2824 N ILE A 842 23.210 17.541 18.127 1.00 0.00 N -ATOM 2825 H ILE A 842 22.950 17.811 19.097 1.00 0.00 H -ATOM 2826 CA ILE A 842 24.354 18.208 17.489 1.00 0.00 C -ATOM 2827 HA ILE A 842 24.187 18.224 16.412 1.00 0.00 H -ATOM 2828 C ILE A 842 25.643 17.430 17.845 1.00 0.00 C -ATOM 2829 O ILE A 842 26.431 17.080 16.952 1.00 0.00 O -ATOM 2830 CB ILE A 842 24.507 19.684 17.990 1.00 0.00 C -ATOM 2831 HB ILE A 842 24.562 19.662 19.078 1.00 0.00 H -ATOM 2832 CG1 ILE A 842 23.312 20.522 17.569 1.00 0.00 C -ATOM 2833 HG13 ILE A 842 22.419 20.124 18.052 1.00 0.00 H -ATOM 2834 HG12 ILE A 842 23.473 21.549 17.896 1.00 0.00 H -ATOM 2835 CG2 ILE A 842 25.769 20.303 17.439 1.00 0.00 C -ATOM 2836 HG21 ILE A 842 26.631 19.725 17.772 1.00 0.00 H -ATOM 2837 HG22 ILE A 842 25.727 20.301 16.350 1.00 0.00 H -ATOM 2838 HG23 ILE A 842 25.856 21.328 17.799 1.00 0.00 H -ATOM 2839 CD1 ILE A 842 23.101 20.519 16.109 1.00 0.00 C -ATOM 2840 HD11 ILE A 842 23.984 20.924 15.615 1.00 0.00 H -ATOM 2841 HD12 ILE A 842 22.929 19.497 15.770 1.00 0.00 H -ATOM 2842 HD13 ILE A 842 22.234 21.134 15.867 1.00 0.00 H -ATOM 2843 N ALA A 843 25.819 17.166 19.152 1.00 0.00 N -ATOM 2844 H ALA A 843 25.077 17.485 19.807 1.00 0.00 H -ATOM 2845 CA ALA A 843 26.979 16.461 19.733 1.00 0.00 C -ATOM 2846 HA ALA A 843 27.854 16.835 19.201 1.00 0.00 H -ATOM 2847 C ALA A 843 26.960 14.955 19.524 1.00 0.00 C -ATOM 2848 O ALA A 843 27.924 14.260 19.838 1.00 0.00 O -ATOM 2849 CB ALA A 843 27.076 16.768 21.247 1.00 0.00 C -ATOM 2850 HB1 ALA A 843 27.197 17.842 21.392 1.00 0.00 H -ATOM 2851 HB2 ALA A 843 26.165 16.434 21.743 1.00 0.00 H -ATOM 2852 HB3 ALA A 843 27.934 16.244 21.668 1.00 0.00 H -ATOM 2853 N CYS A 844 25.872 14.469 18.947 1.00 0.00 N -ATOM 2854 H CYS A 844 25.135 15.136 18.641 1.00 0.00 H -ATOM 2855 CA CYS A 844 25.657 13.052 18.721 1.00 0.00 C -ATOM 2856 HA CYS A 844 26.440 12.473 19.211 1.00 0.00 H -ATOM 2857 C CYS A 844 25.771 12.645 17.215 1.00 0.00 C -ATOM 2858 O CYS A 844 25.056 11.750 16.759 1.00 0.00 O -ATOM 2859 CB CYS A 844 24.269 12.717 19.315 1.00 0.00 C -ATOM 2860 HB3 CYS A 844 23.550 12.786 18.499 1.00 0.00 H -ATOM 2861 HB2 CYS A 844 24.049 13.484 20.057 1.00 0.00 H -ATOM 2862 SG CYS A 844 24.002 11.110 20.120 1.00 0.00 S -ATOM 2863 HG CYS A 844 24.354 12.231 19.396 1.00 0.00 H -ATOM 2864 N LYS A 845 26.665 13.302 16.460 1.00 0.00 N -ATOM 2865 H LYS A 845 27.214 14.066 16.904 1.00 0.00 H -ATOM 2866 CA LYS A 845 26.917 13.002 15.026 1.00 0.00 C -ATOM 2867 HA LYS A 845 26.617 11.961 14.908 1.00 0.00 H -ATOM 2868 C LYS A 845 28.420 13.101 14.620 1.00 0.00 C -ATOM 2869 O LYS A 845 29.110 12.079 14.517 1.00 0.00 O -ATOM 2870 CB LYS A 845 26.063 13.874 14.087 1.00 0.00 C -ATOM 2871 HB3 LYS A 845 25.885 14.832 14.575 1.00 0.00 H -ATOM 2872 HB2 LYS A 845 26.621 14.035 13.165 1.00 0.00 H -ATOM 2873 CG LYS A 845 24.727 13.263 13.735 1.00 0.00 C -ATOM 2874 HG3 LYS A 845 24.887 12.263 13.332 1.00 0.00 H -ATOM 2875 HG2 LYS A 845 24.117 13.197 14.636 1.00 0.00 H -ATOM 2876 CD LYS A 845 23.998 14.104 12.702 1.00 0.00 C -ATOM 2877 HD3 LYS A 845 22.966 13.760 12.632 1.00 0.00 H -ATOM 2878 HD2 LYS A 845 24.011 15.146 13.023 1.00 0.00 H -ATOM 2879 CE LYS A 845 24.644 14.005 11.326 1.00 0.00 C -ATOM 2880 HE3 LYS A 845 25.602 13.495 11.424 1.00 0.00 H -ATOM 2881 HE2 LYS A 845 24.808 15.012 10.942 1.00 0.00 H -ATOM 2882 NZ LYS A 845 23.795 13.251 10.351 1.00 0.00 N -ATOM 2883 HZ1 LYS A 845 23.639 12.285 10.704 1.00 0.00 H -ATOM 2884 HZ2 LYS A 845 22.880 13.734 10.243 1.00 0.00 H -ATOM 2885 HZ3 LYS A 845 24.278 13.211 9.431 1.00 0.00 H -ATOM 2886 N ARG A 846 28.929 14.316 14.384 1.00 0.00 N -ATOM 2887 H ARG A 846 28.318 15.152 14.475 1.00 0.00 H -ATOM 2888 CA ARG A 846 30.336 14.489 13.998 1.00 0.00 C -ATOM 2889 HA ARG A 846 30.715 13.475 13.867 1.00 0.00 H -ATOM 2890 C ARG A 846 31.289 15.076 15.097 1.00 0.00 C -ATOM 2891 O ARG A 846 31.315 14.556 16.229 1.00 0.00 O -ATOM 2892 CB ARG A 846 30.442 15.246 12.671 1.00 0.00 C -ATOM 2893 HB3 ARG A 846 29.565 15.004 12.070 1.00 0.00 H -ATOM 2894 HB2 ARG A 846 30.448 16.314 12.889 1.00 0.00 H -ATOM 2895 CG ARG A 846 31.702 14.917 11.839 1.00 0.00 C -ATOM 2896 HG3 ARG A 846 31.907 15.753 11.170 1.00 0.00 H -ATOM 2897 HG2 ARG A 846 32.544 14.782 12.518 1.00 0.00 H -ATOM 2898 CD ARG A 846 31.538 13.643 10.999 1.00 0.00 C -ATOM 2899 HD3 ARG A 846 31.440 13.928 9.951 1.00 0.00 H -ATOM 2900 HD2 ARG A 846 30.632 13.129 11.321 1.00 0.00 H -ATOM 2901 NE ARG A 846 32.671 12.718 11.128 1.00 0.00 N -ATOM 2902 HE ARG A 846 33.530 13.063 11.602 1.00 0.00 H -ATOM 2903 CZ ARG A 846 32.667 11.463 10.675 1.00 0.00 C -ATOM 2904 NH1 ARG A 846 31.583 10.985 10.058 1.00 0.00 N -ATOM 2905 HH11 ARG A 846 30.747 11.590 9.932 1.00 0.00 H -ATOM 2906 HH12 ARG A 846 31.575 10.007 9.703 1.00 0.00 H -ATOM 2907 NH2 ARG A 846 33.720 10.666 10.891 1.00 0.00 N -ATOM 2908 HH21 ARG A 846 34.545 11.024 11.413 1.00 0.00 H -ATOM 2909 HH22 ARG A 846 33.714 9.688 10.536 1.00 0.00 H -ATOM 2910 N LYS A 847 32.040 16.139 14.736 1.00 0.00 N -ATOM 2911 H LYS A 847 31.893 16.518 13.779 1.00 0.00 H -ATOM 2912 CA LYS A 847 33.061 16.820 15.585 1.00 0.00 C -ATOM 2913 HA LYS A 847 33.633 15.938 15.875 1.00 0.00 H -ATOM 2914 C LYS A 847 32.769 17.424 16.961 1.00 0.00 C -ATOM 2915 O LYS A 847 31.596 17.569 17.368 1.00 0.00 O -ATOM 2916 CB LYS A 847 33.760 17.897 14.758 1.00 0.00 C -ATOM 2917 HB3 LYS A 847 33.004 18.599 14.406 1.00 0.00 H -ATOM 2918 HB2 LYS A 847 34.465 18.418 15.406 1.00 0.00 H -ATOM 2919 CG LYS A 847 34.514 17.383 13.563 1.00 0.00 C -ATOM 2920 HG3 LYS A 847 35.288 16.689 13.891 1.00 0.00 H -ATOM 2921 HG2 LYS A 847 33.827 16.868 12.892 1.00 0.00 H -ATOM 2922 CD LYS A 847 35.150 18.542 12.840 1.00 0.00 C -ATOM 2923 HD3 LYS A 847 34.370 19.228 12.512 1.00 0.00 H -ATOM 2924 HD2 LYS A 847 35.825 19.060 13.522 1.00 0.00 H -ATOM 2925 CE LYS A 847 35.928 18.073 11.641 1.00 0.00 C -ATOM 2926 HE3 LYS A 847 35.247 17.607 10.928 1.00 0.00 H -ATOM 2927 HE2 LYS A 847 36.675 17.345 11.957 1.00 0.00 H -ATOM 2928 NZ LYS A 847 36.604 19.219 10.996 1.00 0.00 N -ATOM 2929 HZ1 LYS A 847 35.892 19.914 10.692 1.00 0.00 H -ATOM 2930 HZ2 LYS A 847 37.255 19.663 11.675 1.00 0.00 H -ATOM 2931 HZ3 LYS A 847 37.138 18.884 10.169 1.00 0.00 H -ATOM 2932 N ASN A 848 33.860 17.821 17.636 1.00 0.00 N -ATOM 2933 H ASN A 848 34.775 17.675 17.164 1.00 0.00 H -ATOM 2934 CA ASN A 848 33.904 18.449 18.991 1.00 0.00 C -ATOM 2935 HA ASN A 848 33.243 19.315 19.028 1.00 0.00 H -ATOM 2936 C ASN A 848 35.379 18.906 19.266 1.00 0.00 C -ATOM 2937 O ASN A 848 36.305 18.286 18.735 1.00 0.00 O -ATOM 2938 CB ASN A 848 33.392 17.448 20.089 1.00 0.00 C -ATOM 2939 HB3 ASN A 848 33.661 17.843 21.069 1.00 0.00 H -ATOM 2940 HB2 ASN A 848 32.307 17.377 20.012 1.00 0.00 H -ATOM 2941 CG ASN A 848 33.984 16.032 19.955 1.00 0.00 C -ATOM 2942 OD1 ASN A 848 35.078 15.825 19.426 1.00 0.00 O -ATOM 2943 ND2 ASN A 848 33.240 15.046 20.457 1.00 0.00 N -ATOM 2944 HD21 ASN A 848 33.578 14.064 20.410 1.00 0.00 H -ATOM 2945 HD22 ASN A 848 32.322 15.259 20.896 1.00 0.00 H -ATOM 2946 N PRO A 849 35.622 20.019 20.031 1.00 0.00 N -ATOM 2947 CA PRO A 849 34.808 21.031 20.742 1.00 0.00 C -ATOM 2948 HA PRO A 849 33.845 20.573 20.968 1.00 0.00 H -ATOM 2949 C PRO A 849 34.292 22.298 20.008 1.00 0.00 C -ATOM 2950 O PRO A 849 33.082 22.562 20.025 1.00 0.00 O -ATOM 2951 CB PRO A 849 35.725 21.422 21.914 1.00 0.00 C -ATOM 2952 HB3 PRO A 849 35.458 22.398 22.319 1.00 0.00 H -ATOM 2953 HB2 PRO A 849 35.691 20.678 22.710 1.00 0.00 H -ATOM 2954 CG PRO A 849 37.063 21.454 21.259 1.00 0.00 C -ATOM 2955 HG3 PRO A 849 37.172 22.332 20.622 1.00 0.00 H -ATOM 2956 HG2 PRO A 849 37.866 21.439 21.996 1.00 0.00 H -ATOM 2957 CD PRO A 849 37.039 20.160 20.430 1.00 0.00 C -ATOM 2958 HD3 PRO A 849 37.360 19.309 21.030 1.00 0.00 H -ATOM 2959 HD2 PRO A 849 37.682 20.248 19.554 1.00 0.00 H -ATOM 2960 N THR A 850 35.178 23.098 19.399 1.00 0.00 N -ATOM 2961 H THR A 850 36.188 22.851 19.416 1.00 0.00 H -ATOM 2962 CA THR A 850 34.738 24.330 18.701 1.00 0.00 C -ATOM 2963 HA THR A 850 34.246 24.896 19.492 1.00 0.00 H -ATOM 2964 C THR A 850 33.693 24.100 17.584 1.00 0.00 C -ATOM 2965 O THR A 850 32.820 24.944 17.372 1.00 0.00 O -ATOM 2966 CB THR A 850 35.931 25.182 18.134 1.00 0.00 C -ATOM 2967 HB THR A 850 35.533 26.137 17.790 1.00 0.00 H -ATOM 2968 OG1 THR A 850 36.538 24.500 17.025 1.00 0.00 O -ATOM 2969 HG1 THR A 850 37.288 25.044 16.675 1.00 0.00 H -ATOM 2970 CG2 THR A 850 36.976 25.482 19.222 1.00 0.00 C -ATOM 2971 HG21 THR A 850 37.409 24.546 19.576 1.00 0.00 H -ATOM 2972 HG22 THR A 850 37.761 26.113 18.806 1.00 0.00 H -ATOM 2973 HG23 THR A 850 36.496 25.999 20.053 1.00 0.00 H -ATOM 2974 N SER A 851 33.788 22.949 16.909 1.00 0.00 N -ATOM 2975 H SER A 851 34.545 22.287 17.176 1.00 0.00 H -ATOM 2976 CA SER A 851 32.885 22.562 15.810 1.00 0.00 C -ATOM 2977 HA SER A 851 32.981 23.334 15.046 1.00 0.00 H -ATOM 2978 C SER A 851 31.374 22.559 16.173 1.00 0.00 C -ATOM 2979 O SER A 851 30.553 23.123 15.429 1.00 0.00 O -ATOM 2980 CB SER A 851 33.319 21.185 15.262 1.00 0.00 C -ATOM 2981 HB3 SER A 851 33.028 20.416 15.978 1.00 0.00 H -ATOM 2982 HB2 SER A 851 34.403 21.180 15.147 1.00 0.00 H -ATOM 2983 OG SER A 851 32.729 20.888 14.012 1.00 0.00 O -ATOM 2984 HG SER A 851 33.038 19.999 13.706 1.00 0.00 H -ATOM 2985 N CYS A 852 31.000 21.964 17.311 1.00 0.00 N -ATOM 2986 H CYS A 852 31.716 21.520 17.921 1.00 0.00 H -ATOM 2987 CA CYS A 852 29.587 21.932 17.706 1.00 0.00 C -ATOM 2988 HA CYS A 852 29.007 21.995 16.785 1.00 0.00 H -ATOM 2989 C CYS A 852 29.128 23.167 18.541 1.00 0.00 C -ATOM 2990 O CYS A 852 27.929 23.468 18.592 1.00 0.00 O -ATOM 2991 CB CYS A 852 29.260 20.605 18.409 1.00 0.00 C -ATOM 2992 HB3 CYS A 852 29.886 19.832 17.963 1.00 0.00 H -ATOM 2993 HB2 CYS A 852 28.212 20.378 18.215 1.00 0.00 H -ATOM 2994 SG CYS A 852 29.511 20.548 20.196 1.00 0.00 S -ATOM 2995 HG CYS A 852 29.173 19.295 20.667 1.00 0.00 H -ATOM 2996 N SER A 853 30.071 23.873 19.184 1.00 0.00 N -ATOM 2997 H SER A 853 31.059 23.555 19.127 1.00 0.00 H -ATOM 2998 CA SER A 853 29.760 25.085 19.970 1.00 0.00 C -ATOM 2999 HA SER A 853 29.011 24.858 20.729 1.00 0.00 H -ATOM 3000 C SER A 853 29.261 26.147 18.970 1.00 0.00 C -ATOM 3001 O SER A 853 28.320 26.914 19.260 1.00 0.00 O -ATOM 3002 CB SER A 853 31.015 25.615 20.702 1.00 0.00 C -ATOM 3003 HB3 SER A 853 30.758 26.559 21.183 1.00 0.00 H -ATOM 3004 HB2 SER A 853 31.796 25.787 19.962 1.00 0.00 H -ATOM 3005 OG SER A 853 31.524 24.733 21.692 1.00 0.00 O -ATOM 3006 HG SER A 853 31.774 23.873 21.269 1.00 0.00 H -ATOM 3007 N ARG A 854 29.929 26.190 17.806 1.00 0.00 N -ATOM 3008 H ARG A 854 30.729 25.539 17.670 1.00 0.00 H -ATOM 3009 CA ARG A 854 29.586 27.108 16.721 1.00 0.00 C -ATOM 3010 HA ARG A 854 29.270 28.051 17.168 1.00 0.00 H -ATOM 3011 C ARG A 854 28.428 26.555 15.903 1.00 0.00 C -ATOM 3012 O ARG A 854 27.614 27.325 15.381 1.00 0.00 O -ATOM 3013 CB ARG A 854 30.803 27.423 15.831 1.00 0.00 C -ATOM 3014 HB3 ARG A 854 30.468 28.069 15.019 1.00 0.00 H -ATOM 3015 HB2 ARG A 854 31.536 27.955 16.438 1.00 0.00 H -ATOM 3016 CG ARG A 854 31.492 26.211 15.215 1.00 0.00 C -ATOM 3017 HG3 ARG A 854 31.562 25.427 15.969 1.00 0.00 H -ATOM 3018 HG2 ARG A 854 30.893 25.856 14.377 1.00 0.00 H -ATOM 3019 CD ARG A 854 32.915 26.540 14.706 1.00 0.00 C -ATOM 3020 HD3 ARG A 854 33.512 25.628 14.729 1.00 0.00 H -ATOM 3021 HD2 ARG A 854 33.359 27.281 15.371 1.00 0.00 H -ATOM 3022 NE ARG A 854 32.927 27.070 13.344 1.00 0.00 N -ATOM 3023 HE ARG A 854 32.659 26.424 12.574 1.00 0.00 H -ATOM 3024 CZ ARG A 854 33.255 28.318 13.014 1.00 0.00 C -ATOM 3025 NH1 ARG A 854 33.614 29.182 13.963 1.00 0.00 N -ATOM 3026 HH11 ARG A 854 33.638 28.881 14.958 1.00 0.00 H -ATOM 3027 HH12 ARG A 854 33.871 30.157 13.708 1.00 0.00 H -ATOM 3028 NH2 ARG A 854 33.171 28.704 11.740 1.00 0.00 N -ATOM 3029 HH21 ARG A 854 32.851 28.032 11.013 1.00 0.00 H -ATOM 3030 HH22 ARG A 854 33.425 29.677 11.473 1.00 0.00 H -ATOM 3031 N ARG A 855 28.341 25.228 15.801 1.00 0.00 N -ATOM 3032 H ARG A 855 29.073 24.630 16.235 1.00 0.00 H -ATOM 3033 CA ARG A 855 27.229 24.606 15.087 1.00 0.00 C -ATOM 3034 HA ARG A 855 27.184 24.995 14.070 1.00 0.00 H -ATOM 3035 C ARG A 855 25.922 24.945 15.831 1.00 0.00 C -ATOM 3036 O ARG A 855 24.861 25.054 15.206 1.00 0.00 O -ATOM 3037 CB ARG A 855 27.423 23.085 14.974 1.00 0.00 C -ATOM 3038 HB3 ARG A 855 28.310 22.902 14.368 1.00 0.00 H -ATOM 3039 HB2 ARG A 855 27.582 22.689 15.977 1.00 0.00 H -ATOM 3040 CG ARG A 855 26.247 22.321 14.341 1.00 0.00 C -ATOM 3041 HG3 ARG A 855 26.467 21.254 14.380 1.00 0.00 H -ATOM 3042 HG2 ARG A 855 25.348 22.527 14.922 1.00 0.00 H -ATOM 3043 CD ARG A 855 25.983 22.707 12.891 1.00 0.00 C -ATOM 3044 HD3 ARG A 855 26.911 22.592 12.331 1.00 0.00 H -ATOM 3045 HD2 ARG A 855 25.672 23.751 12.866 1.00 0.00 H -ATOM 3046 NE ARG A 855 24.943 21.899 12.233 1.00 0.00 N -ATOM 3047 HE ARG A 855 24.322 21.322 12.836 1.00 0.00 H -ATOM 3048 CZ ARG A 855 24.745 21.858 10.911 1.00 0.00 C -ATOM 3049 NH1 ARG A 855 25.517 22.579 10.110 1.00 0.00 N -ATOM 3050 HH11 ARG A 855 26.272 23.172 10.511 1.00 0.00 H -ATOM 3051 HH12 ARG A 855 25.368 22.551 9.081 1.00 0.00 H -ATOM 3052 NH2 ARG A 855 23.796 21.094 10.384 1.00 0.00 N -ATOM 3053 HH21 ARG A 855 23.192 20.515 11.002 1.00 0.00 H -ATOM 3054 HH22 ARG A 855 23.656 21.075 9.354 1.00 0.00 H -ATOM 3055 N PHE A 856 26.003 25.152 17.152 1.00 0.00 N -ATOM 3056 H PHE A 856 26.926 25.060 17.622 1.00 0.00 H -ATOM 3057 CA PHE A 856 24.817 25.508 17.962 1.00 0.00 C -ATOM 3058 HA PHE A 856 23.998 24.865 17.641 1.00 0.00 H -ATOM 3059 C PHE A 856 24.438 26.974 17.738 1.00 0.00 C -ATOM 3060 O PHE A 856 23.254 27.326 17.597 1.00 0.00 O -ATOM 3061 CB PHE A 856 25.066 25.270 19.457 1.00 0.00 C -ATOM 3062 HB3 PHE A 856 25.374 24.234 19.595 1.00 0.00 H -ATOM 3063 HB2 PHE A 856 25.868 25.933 19.783 1.00 0.00 H -ATOM 3064 CG PHE A 856 23.852 25.527 20.319 1.00 0.00 C -ATOM 3065 CD1 PHE A 856 22.699 24.751 20.170 1.00 0.00 C -ATOM 3066 HD1 PHE A 856 22.690 23.946 19.435 1.00 0.00 H -ATOM 3067 CD2 PHE A 856 23.845 26.549 21.259 1.00 0.00 C -ATOM 3068 HD2 PHE A 856 24.731 27.170 21.392 1.00 0.00 H -ATOM 3069 CE1 PHE A 856 21.547 24.986 20.949 1.00 0.00 C -ATOM 3070 HE1 PHE A 856 20.659 24.369 20.816 1.00 0.00 H -ATOM 3071 CE2 PHE A 856 22.711 26.785 22.033 1.00 0.00 C -ATOM 3072 HE2 PHE A 856 22.720 27.589 22.769 1.00 0.00 H -ATOM 3073 CZ PHE A 856 21.553 25.999 21.877 1.00 0.00 C -ATOM 3074 HZ PHE A 856 20.670 26.192 22.486 1.00 0.00 H -ATOM 3075 N TYR A 857 25.461 27.822 17.725 1.00 0.00 N -ATOM 3076 H TYR A 857 26.420 27.456 17.891 1.00 0.00 H -ATOM 3077 CA TYR A 857 25.283 29.238 17.487 1.00 0.00 C -ATOM 3078 HA TYR A 857 24.731 29.732 18.287 1.00 0.00 H -ATOM 3079 C TYR A 857 24.503 29.373 16.181 1.00 0.00 C -ATOM 3080 O TYR A 857 23.404 29.945 16.159 1.00 0.00 O -ATOM 3081 CB TYR A 857 26.667 29.901 17.407 1.00 0.00 C -ATOM 3082 HB3 TYR A 857 27.068 29.968 18.418 1.00 0.00 H -ATOM 3083 HB2 TYR A 857 27.312 29.263 16.803 1.00 0.00 H -ATOM 3084 CG TYR A 857 26.684 31.282 16.807 1.00 0.00 C -ATOM 3085 CD1 TYR A 857 26.450 32.422 17.593 1.00 0.00 C -ATOM 3086 HD1 TYR A 857 26.251 32.308 18.659 1.00 0.00 H -ATOM 3087 CD2 TYR A 857 26.935 31.454 15.442 1.00 0.00 C -ATOM 3088 HD2 TYR A 857 27.120 30.579 14.819 1.00 0.00 H -ATOM 3089 CE1 TYR A 857 26.469 33.719 17.022 1.00 0.00 C -ATOM 3090 HE1 TYR A 857 26.291 34.598 17.641 1.00 0.00 H -ATOM 3091 CE2 TYR A 857 26.953 32.728 14.860 1.00 0.00 C -ATOM 3092 HE2 TYR A 857 27.149 32.838 13.793 1.00 0.00 H -ATOM 3093 CZ TYR A 857 26.720 33.855 15.647 1.00 0.00 C -ATOM 3094 OH TYR A 857 26.725 35.091 15.035 1.00 0.00 O -ATOM 3095 HH TYR A 857 26.547 35.793 15.710 1.00 0.00 H -ATOM 3096 N GLN A 858 25.006 28.706 15.141 1.00 0.00 N -ATOM 3097 H GLN A 858 25.863 28.135 15.283 1.00 0.00 H -ATOM 3098 CA GLN A 858 24.400 28.744 13.803 1.00 0.00 C -ATOM 3099 HA GLN A 858 24.508 29.790 13.517 1.00 0.00 H -ATOM 3100 C GLN A 858 22.927 28.400 13.731 1.00 0.00 C -ATOM 3101 O GLN A 858 22.173 29.017 12.988 1.00 0.00 O -ATOM 3102 CB GLN A 858 25.112 27.795 12.859 1.00 0.00 C -ATOM 3103 HB3 GLN A 858 25.012 26.786 13.260 1.00 0.00 H -ATOM 3104 HB2 GLN A 858 24.615 27.851 11.890 1.00 0.00 H -ATOM 3105 CG GLN A 858 26.563 28.061 12.645 1.00 0.00 C -ATOM 3106 HG3 GLN A 858 26.675 29.026 12.150 1.00 0.00 H -ATOM 3107 HG2 GLN A 858 27.063 28.091 13.613 1.00 0.00 H -ATOM 3108 CD GLN A 858 27.216 26.990 11.788 1.00 0.00 C -ATOM 3109 OE1 GLN A 858 28.399 27.051 11.521 1.00 0.00 O -ATOM 3110 NE2 GLN A 858 26.446 25.995 11.369 1.00 0.00 N -ATOM 3111 HE21 GLN A 858 26.852 25.232 10.791 1.00 0.00 H -ATOM 3112 HE22 GLN A 858 25.437 25.978 11.619 1.00 0.00 H -ATOM 3113 N LEU A 859 22.523 27.372 14.452 1.00 0.00 N -ATOM 3114 H LEU A 859 23.200 26.860 15.053 1.00 0.00 H -ATOM 3115 CA LEU A 859 21.136 26.956 14.407 1.00 0.00 C -ATOM 3116 HA LEU A 859 20.822 26.999 13.364 1.00 0.00 H -ATOM 3117 C LEU A 859 20.226 27.884 15.180 1.00 0.00 C -ATOM 3118 O LEU A 859 19.091 28.129 14.764 1.00 0.00 O -ATOM 3119 CB LEU A 859 20.998 25.529 14.919 1.00 0.00 C -ATOM 3120 HB3 LEU A 859 21.499 25.478 15.886 1.00 0.00 H -ATOM 3121 HB2 LEU A 859 19.935 25.329 15.051 1.00 0.00 H -ATOM 3122 CG LEU A 859 21.571 24.412 14.044 1.00 0.00 C -ATOM 3123 HG LEU A 859 22.602 24.643 13.775 1.00 0.00 H -ATOM 3124 CD1 LEU A 859 21.563 23.090 14.809 1.00 0.00 C -ATOM 3125 HD11 LEU A 859 22.171 23.188 15.708 1.00 0.00 H -ATOM 3126 HD12 LEU A 859 20.539 22.839 15.087 1.00 0.00 H -ATOM 3127 HD13 LEU A 859 21.973 22.303 14.176 1.00 0.00 H -ATOM 3128 CD2 LEU A 859 20.736 24.301 12.793 1.00 0.00 C -ATOM 3129 HD21 LEU A 859 19.706 24.068 13.064 1.00 0.00 H -ATOM 3130 HD22 LEU A 859 20.766 25.247 12.253 1.00 0.00 H -ATOM 3131 HD23 LEU A 859 21.135 23.508 12.161 1.00 0.00 H -ATOM 3132 N THR A 860 20.712 28.393 16.307 1.00 0.00 N -ATOM 3133 H THR A 860 21.673 28.141 16.616 1.00 0.00 H -ATOM 3134 CA THR A 860 19.910 29.300 17.111 1.00 0.00 C -ATOM 3135 HA THR A 860 18.933 28.863 17.317 1.00 0.00 H -ATOM 3136 C THR A 860 19.694 30.592 16.322 1.00 0.00 C -ATOM 3137 O THR A 860 18.600 31.177 16.351 1.00 0.00 O -ATOM 3138 CB THR A 860 20.557 29.532 18.474 1.00 0.00 C -ATOM 3139 HB THR A 860 20.048 30.349 18.985 1.00 0.00 H -ATOM 3140 OG1 THR A 860 21.942 29.877 18.304 1.00 0.00 O -ATOM 3141 HG1 THR A 860 22.410 29.138 17.840 1.00 0.00 H -ATOM 3142 CG2 THR A 860 20.445 28.256 19.302 1.00 0.00 C -ATOM 3143 HG21 THR A 860 20.960 27.445 18.788 1.00 0.00 H -ATOM 3144 HG22 THR A 860 20.901 28.417 20.279 1.00 0.00 H -ATOM 3145 HG23 THR A 860 19.394 27.998 19.429 1.00 0.00 H -ATOM 3146 N LYS A 861 20.718 30.998 15.564 1.00 0.00 N -ATOM 3147 H LYS A 861 21.611 30.466 15.580 1.00 0.00 H -ATOM 3148 CA LYS A 861 20.598 32.178 14.715 1.00 0.00 C -ATOM 3149 HA LYS A 861 20.291 33.036 15.313 1.00 0.00 H -ATOM 3150 C LYS A 861 19.556 31.871 13.639 1.00 0.00 C -ATOM 3151 O LYS A 861 18.669 32.682 13.358 1.00 0.00 O -ATOM 3152 CB LYS A 861 21.932 32.530 14.076 1.00 0.00 C -ATOM 3153 HB3 LYS A 861 22.473 31.605 13.877 1.00 0.00 H -ATOM 3154 HB2 LYS A 861 21.738 33.046 13.135 1.00 0.00 H -ATOM 3155 CG LYS A 861 22.807 33.422 14.941 1.00 0.00 C -ATOM 3156 HG3 LYS A 861 22.724 33.097 15.978 1.00 0.00 H -ATOM 3157 HG2 LYS A 861 23.842 33.324 14.613 1.00 0.00 H -ATOM 3158 CD LYS A 861 22.394 34.906 14.850 1.00 0.00 C -ATOM 3159 HD3 LYS A 861 22.501 35.243 13.819 1.00 0.00 H -ATOM 3160 HD2 LYS A 861 21.353 35.006 15.158 1.00 0.00 H -ATOM 3161 CE LYS A 861 23.270 35.776 15.755 1.00 0.00 C -ATOM 3162 HE3 LYS A 861 24.302 35.707 15.412 1.00 0.00 H -ATOM 3163 HE2 LYS A 861 23.201 35.397 16.775 1.00 0.00 H -ATOM 3164 NZ LYS A 861 22.863 37.205 15.751 1.00 0.00 N -ATOM 3165 HZ1 LYS A 861 22.933 37.581 14.784 1.00 0.00 H -ATOM 3166 HZ2 LYS A 861 21.882 37.286 16.086 1.00 0.00 H -ATOM 3167 HZ3 LYS A 861 23.491 37.745 16.380 1.00 0.00 H -ATOM 3168 N LEU A 862 19.644 30.667 13.075 1.00 0.00 N -ATOM 3169 H LEU A 862 20.412 30.027 13.361 1.00 0.00 H -ATOM 3170 CA LEU A 862 18.690 30.228 12.069 1.00 0.00 C -ATOM 3171 HA LEU A 862 18.759 30.899 11.213 1.00 0.00 H -ATOM 3172 C LEU A 862 17.272 30.273 12.642 1.00 0.00 C -ATOM 3173 O LEU A 862 16.353 30.720 11.954 1.00 0.00 O -ATOM 3174 CB LEU A 862 19.009 28.808 11.607 1.00 0.00 C -ATOM 3175 HB3 LEU A 862 19.998 28.799 11.150 1.00 0.00 H -ATOM 3176 HB2 LEU A 862 19.004 28.146 12.473 1.00 0.00 H -ATOM 3177 CG LEU A 862 17.987 28.298 10.587 1.00 0.00 C -ATOM 3178 HG LEU A 862 16.992 28.352 11.028 1.00 0.00 H -ATOM 3179 CD1 LEU A 862 18.036 29.176 9.346 1.00 0.00 C -ATOM 3180 HD11 LEU A 862 17.798 30.204 9.620 1.00 0.00 H -ATOM 3181 HD12 LEU A 862 19.036 29.136 8.914 1.00 0.00 H -ATOM 3182 HD13 LEU A 862 17.309 28.815 8.618 1.00 0.00 H -ATOM 3183 CD2 LEU A 862 18.245 26.832 10.228 1.00 0.00 C -ATOM 3184 HD21 LEU A 862 19.242 26.734 9.800 1.00 0.00 H -ATOM 3185 HD22 LEU A 862 18.173 26.221 11.128 1.00 0.00 H -ATOM 3186 HD23 LEU A 862 17.502 26.501 9.502 1.00 0.00 H -ATOM 3187 N LEU A 863 17.108 29.839 13.900 1.00 0.00 N -ATOM 3188 H LEU A 863 17.941 29.498 14.420 1.00 0.00 H -ATOM 3189 CA LEU A 863 15.807 29.824 14.575 1.00 0.00 C -ATOM 3190 HA LEU A 863 15.138 29.206 13.977 1.00 0.00 H -ATOM 3191 C LEU A 863 15.265 31.223 14.689 1.00 0.00 C -ATOM 3192 O LEU A 863 14.075 31.459 14.455 1.00 0.00 O -ATOM 3193 CB LEU A 863 15.915 29.232 15.980 1.00 0.00 C -ATOM 3194 HB3 LEU A 863 16.854 29.577 16.413 1.00 0.00 H -ATOM 3195 HB2 LEU A 863 15.082 29.619 16.567 1.00 0.00 H -ATOM 3196 CG LEU A 863 15.888 27.707 16.086 1.00 0.00 C -ATOM 3197 HG LEU A 863 16.798 27.292 15.653 1.00 0.00 H -ATOM 3198 CD1 LEU A 863 15.854 27.238 17.548 1.00 0.00 C -ATOM 3199 HD11 LEU A 863 16.741 27.602 18.066 1.00 0.00 H -ATOM 3200 HD12 LEU A 863 14.961 27.632 18.034 1.00 0.00 H -ATOM 3201 HD13 LEU A 863 15.836 26.149 17.578 1.00 0.00 H -ATOM 3202 CD2 LEU A 863 14.671 27.219 15.334 1.00 0.00 C -ATOM 3203 HD21 LEU A 863 13.774 27.648 15.780 1.00 0.00 H -ATOM 3204 HD22 LEU A 863 14.742 27.527 14.291 1.00 0.00 H -ATOM 3205 HD23 LEU A 863 14.622 26.132 15.391 1.00 0.00 H -ATOM 3206 N ASP A 864 16.161 32.142 15.041 1.00 0.00 N -ATOM 3207 H ASP A 864 17.139 31.834 15.216 1.00 0.00 H -ATOM 3208 CA ASP A 864 15.845 33.564 15.196 1.00 0.00 C -ATOM 3209 HA ASP A 864 14.994 33.629 15.874 1.00 0.00 H -ATOM 3210 C ASP A 864 15.341 34.254 13.898 1.00 0.00 C -ATOM 3211 O ASP A 864 14.455 35.123 13.959 1.00 0.00 O -ATOM 3212 CB ASP A 864 17.051 34.299 15.824 1.00 0.00 C -ATOM 3213 HB3 ASP A 864 17.958 33.984 15.308 1.00 0.00 H -ATOM 3214 HB2 ASP A 864 16.913 35.372 15.691 1.00 0.00 H -ATOM 3215 CG ASP A 864 17.214 34.005 17.334 1.00 0.00 C -ATOM 3216 OD1 ASP A 864 16.388 33.270 17.927 1.00 0.00 O -ATOM 3217 OD2 ASP A 864 18.174 34.526 17.947 1.00 0.00 O -ATOM 3218 N SER A 865 15.843 33.796 12.740 1.00 0.00 N -ATOM 3219 H SER A 865 16.542 33.028 12.790 1.00 0.00 H -ATOM 3220 CA SER A 865 15.476 34.302 11.393 1.00 0.00 C -ATOM 3221 HA SER A 865 15.730 35.361 11.430 1.00 0.00 H -ATOM 3222 C SER A 865 14.004 34.116 11.058 1.00 0.00 C -ATOM 3223 O SER A 865 13.454 34.844 10.231 1.00 0.00 O -ATOM 3224 CB SER A 865 16.235 33.551 10.284 1.00 0.00 C -ATOM 3225 HB3 SER A 865 16.227 34.164 9.383 1.00 0.00 H -ATOM 3226 HB2 SER A 865 15.720 32.611 10.087 1.00 0.00 H -ATOM 3227 OG SER A 865 17.577 33.266 10.622 1.00 0.00 O -ATOM 3228 HG SER A 865 17.599 32.701 11.435 1.00 0.00 H -ATOM 3229 N VAL A 866 13.398 33.095 11.650 1.00 0.00 N -ATOM 3230 H VAL A 866 13.940 32.516 12.323 1.00 0.00 H -ATOM 3231 CA VAL A 866 12.013 32.752 11.399 1.00 0.00 C -ATOM 3232 HA VAL A 866 11.894 32.736 10.316 1.00 0.00 H -ATOM 3233 C VAL A 866 11.031 33.779 11.950 1.00 0.00 C -ATOM 3234 O VAL A 866 9.973 34.057 11.353 1.00 0.00 O -ATOM 3235 CB VAL A 866 11.686 31.354 12.004 1.00 0.00 C -ATOM 3236 HB VAL A 866 11.778 31.413 13.088 1.00 0.00 H -ATOM 3237 CG1 VAL A 866 10.252 30.944 11.666 1.00 0.00 C -ATOM 3238 HG11 VAL A 866 9.559 31.678 12.077 1.00 0.00 H -ATOM 3239 HG12 VAL A 866 10.134 30.897 10.583 1.00 0.00 H -ATOM 3240 HG13 VAL A 866 10.044 29.965 12.098 1.00 0.00 H -ATOM 3241 CG2 VAL A 866 12.666 30.322 11.482 1.00 0.00 C -ATOM 3242 HG21 VAL A 866 12.592 30.270 10.396 1.00 0.00 H -ATOM 3243 HG22 VAL A 866 13.679 30.608 11.766 1.00 0.00 H -ATOM 3244 HG23 VAL A 866 12.429 29.348 11.911 1.00 0.00 H -ATOM 3245 N GLN A 867 11.395 34.366 13.081 1.00 0.00 N -ATOM 3246 H GLN A 867 12.313 34.129 13.509 1.00 0.00 H -ATOM 3247 CA GLN A 867 10.525 35.342 13.735 1.00 0.00 C -ATOM 3248 HA GLN A 867 9.534 34.892 13.793 1.00 0.00 H -ATOM 3249 C GLN A 867 10.213 36.633 12.921 1.00 0.00 C -ATOM 3250 O GLN A 867 9.030 37.022 12.789 1.00 0.00 O -ATOM 3251 CB GLN A 867 11.039 35.603 15.163 1.00 0.00 C -ATOM 3252 HB3 GLN A 867 11.992 36.129 15.097 1.00 0.00 H -ATOM 3253 HB2 GLN A 867 10.314 36.230 15.682 1.00 0.00 H -ATOM 3254 CG GLN A 867 11.248 34.307 15.987 1.00 0.00 C -ATOM 3255 HG3 GLN A 867 11.923 33.653 15.434 1.00 0.00 H -ATOM 3256 HG2 GLN A 867 11.704 34.575 16.940 1.00 0.00 H -ATOM 3257 CD GLN A 867 9.951 33.535 16.271 1.00 0.00 C -ATOM 3258 OE1 GLN A 867 8.841 33.972 15.943 1.00 0.00 O -ATOM 3259 NE2 GLN A 867 10.097 32.375 16.883 1.00 0.00 N -ATOM 3260 HE21 GLN A 867 9.262 31.795 17.105 1.00 0.00 H -ATOM 3261 HE22 GLN A 867 11.047 32.040 17.143 1.00 0.00 H -ATOM 3262 N PRO A 868 11.254 37.306 12.370 1.00 0.00 N -ATOM 3263 CA PRO A 868 11.071 38.522 11.569 1.00 0.00 C -ATOM 3264 HA PRO A 868 10.642 39.368 12.107 1.00 0.00 H -ATOM 3265 C PRO A 868 10.156 38.173 10.407 1.00 0.00 C -ATOM 3266 O PRO A 868 9.132 38.815 10.173 1.00 0.00 O -ATOM 3267 CB PRO A 868 12.477 38.796 11.052 1.00 0.00 C -ATOM 3268 HB3 PRO A 868 12.686 38.215 10.154 1.00 0.00 H -ATOM 3269 HB2 PRO A 868 12.619 39.856 10.839 1.00 0.00 H -ATOM 3270 CG PRO A 868 13.329 38.358 12.184 1.00 0.00 C -ATOM 3271 HG3 PRO A 868 14.355 38.191 11.857 1.00 0.00 H -ATOM 3272 HG2 PRO A 868 13.320 39.096 12.986 1.00 0.00 H -ATOM 3273 CD PRO A 868 12.690 37.069 12.631 1.00 0.00 C -ATOM 3274 HD3 PRO A 868 12.872 36.887 13.690 1.00 0.00 H -ATOM 3275 HD2 PRO A 868 13.061 36.225 12.050 1.00 0.00 H -ATOM 3276 N ILE A 869 10.494 37.075 9.740 1.00 0.00 N -ATOM 3277 H ILE A 869 11.342 36.551 10.038 1.00 0.00 H -ATOM 3278 CA ILE A 869 9.730 36.578 8.616 1.00 0.00 C -ATOM 3279 HA ILE A 869 9.718 37.344 7.840 1.00 0.00 H -ATOM 3280 C ILE A 869 8.284 36.304 9.002 1.00 0.00 C -ATOM 3281 O ILE A 869 7.359 36.758 8.332 1.00 0.00 O -ATOM 3282 CB ILE A 869 10.389 35.318 8.072 1.00 0.00 C -ATOM 3283 HB ILE A 869 10.377 34.537 8.832 1.00 0.00 H -ATOM 3284 CG1 ILE A 869 11.841 35.639 7.697 1.00 0.00 C -ATOM 3285 HG13 ILE A 869 11.834 36.442 6.960 1.00 0.00 H -ATOM 3286 HG12 ILE A 869 12.359 35.976 8.595 1.00 0.00 H -ATOM 3287 CG2 ILE A 869 9.630 34.813 6.870 1.00 0.00 C -ATOM 3288 HG21 ILE A 869 8.604 34.584 7.159 1.00 0.00 H -ATOM 3289 HG22 ILE A 869 9.628 35.579 6.095 1.00 0.00 H -ATOM 3290 HG23 ILE A 869 10.111 33.912 6.490 1.00 0.00 H -ATOM 3291 CD1 ILE A 869 12.604 34.477 7.120 1.00 0.00 C -ATOM 3292 HD11 ILE A 869 12.634 33.666 7.848 1.00 0.00 H -ATOM 3293 HD12 ILE A 869 12.108 34.133 6.212 1.00 0.00 H -ATOM 3294 HD13 ILE A 869 13.620 34.793 6.884 1.00 0.00 H -ATOM 3295 N ALA A 870 8.089 35.599 10.109 1.00 0.00 N -ATOM 3296 H ALA A 870 8.914 35.267 10.648 1.00 0.00 H -ATOM 3297 CA ALA A 870 6.750 35.276 10.593 1.00 0.00 C -ATOM 3298 HA ALA A 870 6.206 34.729 9.823 1.00 0.00 H -ATOM 3299 C ALA A 870 6.010 36.567 10.913 1.00 0.00 C -ATOM 3300 O ALA A 870 4.793 36.692 10.672 1.00 0.00 O -ATOM 3301 CB ALA A 870 6.838 34.402 11.825 1.00 0.00 C -ATOM 3302 HB1 ALA A 870 7.361 33.479 11.577 1.00 0.00 H -ATOM 3303 HB2 ALA A 870 7.383 34.932 12.606 1.00 0.00 H -ATOM 3304 HB3 ALA A 870 5.833 34.168 12.176 1.00 0.00 H -ATOM 3305 N ARG A 871 6.754 37.534 11.441 1.00 0.00 N -ATOM 3306 H ARG A 871 7.760 37.351 11.628 1.00 0.00 H -ATOM 3307 CA ARG A 871 6.201 38.845 11.766 1.00 0.00 C -ATOM 3308 HA ARG A 871 5.439 38.734 12.537 1.00 0.00 H -ATOM 3309 C ARG A 871 5.587 39.457 10.509 1.00 0.00 C -ATOM 3310 O ARG A 871 4.411 39.824 10.496 1.00 0.00 O -ATOM 3311 CB ARG A 871 7.303 39.754 12.271 1.00 0.00 C -ATOM 3312 HB3 ARG A 871 7.548 39.464 13.293 1.00 0.00 H -ATOM 3313 HB2 ARG A 871 8.179 39.619 11.636 1.00 0.00 H -ATOM 3314 CG ARG A 871 6.935 41.209 12.267 1.00 0.00 C -ATOM 3315 HG3 ARG A 871 7.804 41.799 11.977 1.00 0.00 H -ATOM 3316 HG2 ARG A 871 6.129 41.375 11.552 1.00 0.00 H -ATOM 3317 CD ARG A 871 6.488 41.628 13.610 1.00 0.00 C -ATOM 3318 HD3 ARG A 871 7.358 41.731 14.259 1.00 0.00 H -ATOM 3319 HD2 ARG A 871 5.821 40.868 14.017 1.00 0.00 H -ATOM 3320 NE ARG A 871 5.783 42.900 13.554 1.00 0.00 N -ATOM 3321 HE ARG A 871 5.548 43.287 12.618 1.00 0.00 H -ATOM 3322 CZ ARG A 871 5.420 43.599 14.629 1.00 0.00 C -ATOM 3323 NH1 ARG A 871 5.717 43.140 15.841 1.00 0.00 N -ATOM 3324 HH11 ARG A 871 6.229 42.241 15.945 1.00 0.00 H -ATOM 3325 HH12 ARG A 871 5.437 43.680 16.685 1.00 0.00 H -ATOM 3326 NH2 ARG A 871 4.700 44.713 14.497 1.00 0.00 N -ATOM 3327 HH21 ARG A 871 4.418 45.041 13.551 1.00 0.00 H -ATOM 3328 HH22 ARG A 871 4.420 45.254 15.340 1.00 0.00 H -ATOM 3329 N GLU A 872 6.388 39.518 9.447 1.00 0.00 N -ATOM 3330 H GLU A 872 7.365 39.175 9.542 1.00 0.00 H -ATOM 3331 CA GLU A 872 5.954 40.047 8.149 1.00 0.00 C -ATOM 3332 HA GLU A 872 5.711 41.095 8.325 1.00 0.00 H -ATOM 3333 C GLU A 872 4.721 39.346 7.610 1.00 0.00 C -ATOM 3334 O GLU A 872 3.835 39.982 7.039 1.00 0.00 O -ATOM 3335 CB GLU A 872 7.074 39.920 7.099 1.00 0.00 C -ATOM 3336 HB3 GLU A 872 7.760 39.141 7.431 1.00 0.00 H -ATOM 3337 HB2 GLU A 872 6.618 39.622 6.155 1.00 0.00 H -ATOM 3338 CG GLU A 872 7.897 41.206 6.847 1.00 0.00 C -ATOM 3339 HG3 GLU A 872 7.214 42.010 6.572 1.00 0.00 H -ATOM 3340 HG2 GLU A 872 8.418 41.473 7.766 1.00 0.00 H -ATOM 3341 CD GLU A 872 8.928 41.037 5.731 1.00 0.00 C -ATOM 3342 OE1 GLU A 872 9.952 40.366 5.990 1.00 0.00 O -ATOM 3343 OE2 GLU A 872 8.722 41.566 4.606 1.00 0.00 O -ATOM 3344 N LEU A 873 4.671 38.027 7.747 1.00 0.00 N -ATOM 3345 H LEU A 873 5.452 37.525 8.216 1.00 0.00 H -ATOM 3346 CA LEU A 873 3.528 37.281 7.244 1.00 0.00 C -ATOM 3347 HA LEU A 873 3.370 37.549 6.199 1.00 0.00 H -ATOM 3348 C LEU A 873 2.295 37.630 8.027 1.00 0.00 C -ATOM 3349 O LEU A 873 1.187 37.664 7.475 1.00 0.00 O -ATOM 3350 CB LEU A 873 3.794 35.790 7.331 1.00 0.00 C -ATOM 3351 HB3 LEU A 873 3.976 35.525 8.372 1.00 0.00 H -ATOM 3352 HB2 LEU A 873 2.917 35.254 6.969 1.00 0.00 H -ATOM 3353 CG LEU A 873 5.003 35.377 6.498 1.00 0.00 C -ATOM 3354 HG LEU A 873 5.882 35.940 6.811 1.00 0.00 H -ATOM 3355 CD1 LEU A 873 5.185 33.921 6.706 1.00 0.00 C -ATOM 3356 HD11 LEU A 873 5.357 33.725 7.764 1.00 0.00 H -ATOM 3357 HD12 LEU A 873 4.289 33.394 6.379 1.00 0.00 H -ATOM 3358 HD13 LEU A 873 6.042 33.577 6.127 1.00 0.00 H -ATOM 3359 CD2 LEU A 873 4.807 35.680 5.024 1.00 0.00 C -ATOM 3360 HD21 LEU A 873 3.937 35.137 4.655 1.00 0.00 H -ATOM 3361 HD22 LEU A 873 4.651 36.751 4.892 1.00 0.00 H -ATOM 3362 HD23 LEU A 873 5.693 35.369 4.470 1.00 0.00 H -ATOM 3363 N HIS A 874 2.505 37.887 9.320 1.00 0.00 N -ATOM 3364 H HIS A 874 3.474 37.813 9.690 1.00 0.00 H -ATOM 3365 CA HIS A 874 1.430 38.269 10.242 1.00 0.00 C -ATOM 3366 HA HIS A 874 0.668 37.490 10.211 1.00 0.00 H -ATOM 3367 C HIS A 874 0.775 39.603 9.828 1.00 0.00 C -ATOM 3368 O HIS A 874 -0.457 39.758 9.814 1.00 0.00 O -ATOM 3369 CB HIS A 874 1.997 38.405 11.660 1.00 0.00 C -ATOM 3370 HB3 HIS A 874 2.940 38.949 11.600 1.00 0.00 H -ATOM 3371 HB2 HIS A 874 1.287 38.976 12.258 1.00 0.00 H -ATOM 3372 CG HIS A 874 2.251 37.099 12.352 1.00 0.00 C -ATOM 3373 ND1 HIS A 874 1.296 36.104 12.440 1.00 0.00 N -ATOM 3374 CD2 HIS A 874 3.339 36.643 13.015 1.00 0.00 C -ATOM 3375 HD2 HIS A 874 4.284 37.170 13.150 1.00 0.00 H -ATOM 3376 CE1 HIS A 874 1.790 35.088 13.130 1.00 0.00 C -ATOM 3377 HE1 HIS A 874 1.266 34.161 13.365 1.00 0.00 H -ATOM 3378 NE2 HIS A 874 3.028 35.390 13.486 1.00 0.00 N -ATOM 3379 N GLN A 875 1.628 40.572 9.520 1.00 0.00 N -ATOM 3380 H GLN A 875 2.646 40.370 9.589 1.00 0.00 H -ATOM 3381 CA GLN A 875 1.217 41.906 9.090 1.00 0.00 C -ATOM 3382 HA GLN A 875 0.652 42.425 9.865 1.00 0.00 H -ATOM 3383 C GLN A 875 0.363 41.731 7.845 1.00 0.00 C -ATOM 3384 O GLN A 875 -0.822 42.017 7.846 1.00 0.00 O -ATOM 3385 CB GLN A 875 2.471 42.727 8.765 1.00 0.00 C -ATOM 3386 HB3 GLN A 875 3.172 42.611 9.591 1.00 0.00 H -ATOM 3387 HB2 GLN A 875 2.913 42.320 7.855 1.00 0.00 H -ATOM 3388 CG GLN A 875 2.247 44.182 8.555 1.00 0.00 C -ATOM 3389 HG3 GLN A 875 3.184 44.638 8.234 1.00 0.00 H -ATOM 3390 HG2 GLN A 875 1.496 44.312 7.776 1.00 0.00 H -ATOM 3391 CD GLN A 875 1.775 44.875 9.800 1.00 0.00 C -ATOM 3392 OE1 GLN A 875 2.554 45.079 10.754 1.00 0.00 O -ATOM 3393 NE2 GLN A 875 0.504 45.272 9.799 1.00 0.00 N -ATOM 3394 HE21 GLN A 875 0.117 45.779 10.621 1.00 0.00 H -ATOM 3395 HE22 GLN A 875 -0.102 45.075 8.977 1.00 0.00 H -ATOM 3396 N PHE A 876 0.943 41.081 6.849 1.00 0.00 N -ATOM 3397 H PHE A 876 1.911 40.725 6.982 1.00 0.00 H -ATOM 3398 CA PHE A 876 0.284 40.845 5.582 1.00 0.00 C -ATOM 3399 HA PHE A 876 0.081 41.829 5.159 1.00 0.00 H -ATOM 3400 C PHE A 876 -1.070 40.161 5.677 1.00 0.00 C -ATOM 3401 O PHE A 876 -2.036 40.573 5.032 1.00 0.00 O -ATOM 3402 CB PHE A 876 1.212 40.017 4.692 1.00 0.00 C -ATOM 3403 HB3 PHE A 876 2.164 40.541 4.606 1.00 0.00 H -ATOM 3404 HB2 PHE A 876 1.372 39.050 5.168 1.00 0.00 H -ATOM 3405 CG PHE A 876 0.676 39.782 3.313 1.00 0.00 C -ATOM 3406 CD1 PHE A 876 -0.320 38.846 3.085 1.00 0.00 C -ATOM 3407 HD1 PHE A 876 -0.706 38.258 3.918 1.00 0.00 H -ATOM 3408 CD2 PHE A 876 1.163 40.507 2.248 1.00 0.00 C -ATOM 3409 HD2 PHE A 876 1.954 41.239 2.410 1.00 0.00 H -ATOM 3410 CE1 PHE A 876 -0.823 38.650 1.838 1.00 0.00 C -ATOM 3411 HE1 PHE A 876 -1.612 37.916 1.674 1.00 0.00 H -ATOM 3412 CE2 PHE A 876 0.665 40.318 0.991 1.00 0.00 C -ATOM 3413 HE2 PHE A 876 1.052 40.903 0.156 1.00 0.00 H -ATOM 3414 CZ PHE A 876 -0.329 39.385 0.780 1.00 0.00 C -ATOM 3415 HZ PHE A 876 -0.725 39.228 -0.224 1.00 0.00 H -ATOM 3416 N THR A 877 -1.126 39.053 6.405 1.00 0.00 N -ATOM 3417 H THR A 877 -0.279 38.710 6.901 1.00 0.00 H -ATOM 3418 CA THR A 877 -2.380 38.320 6.505 1.00 0.00 C -ATOM 3419 HA THR A 877 -2.739 38.137 5.492 1.00 0.00 H -ATOM 3420 C THR A 877 -3.450 39.157 7.208 1.00 0.00 C -ATOM 3421 O THR A 877 -4.594 39.193 6.767 1.00 0.00 O -ATOM 3422 CB THR A 877 -2.193 36.900 7.135 1.00 0.00 C -ATOM 3423 HB THR A 877 -1.316 36.449 6.670 1.00 0.00 H -ATOM 3424 OG1 THR A 877 -3.364 36.117 6.886 1.00 0.00 O -ATOM 3425 HG1 THR A 877 -3.501 36.032 5.909 1.00 0.00 H -ATOM 3426 CG2 THR A 877 -1.937 36.956 8.640 1.00 0.00 C -ATOM 3427 HG21 THR A 877 -2.794 37.411 9.136 1.00 0.00 H -ATOM 3428 HG22 THR A 877 -1.790 35.945 9.020 1.00 0.00 H -ATOM 3429 HG23 THR A 877 -1.045 37.552 8.834 1.00 0.00 H -ATOM 3430 N PHE A 878 -3.062 39.889 8.251 1.00 0.00 N -ATOM 3431 H PHE A 878 -2.067 39.855 8.551 1.00 0.00 H -ATOM 3432 CA PHE A 878 -3.997 40.737 8.984 1.00 0.00 C -ATOM 3433 HA PHE A 878 -4.798 40.140 9.420 1.00 0.00 H -ATOM 3434 C PHE A 878 -4.600 41.760 8.006 1.00 0.00 C -ATOM 3435 O PHE A 878 -5.821 41.922 7.916 1.00 0.00 O -ATOM 3436 CB PHE A 878 -3.248 41.450 10.109 1.00 0.00 C -ATOM 3437 HB3 PHE A 878 -2.985 40.713 10.868 1.00 0.00 H -ATOM 3438 HB2 PHE A 878 -2.338 41.884 9.695 1.00 0.00 H -ATOM 3439 CG PHE A 878 -4.035 42.540 10.764 1.00 0.00 C -ATOM 3440 CD1 PHE A 878 -5.318 42.298 11.237 1.00 0.00 C -ATOM 3441 HD1 PHE A 878 -5.754 41.305 11.127 1.00 0.00 H -ATOM 3442 CD2 PHE A 878 -3.490 43.810 10.910 1.00 0.00 C -ATOM 3443 HD2 PHE A 878 -2.484 44.012 10.541 1.00 0.00 H -ATOM 3444 CE1 PHE A 878 -6.045 43.296 11.842 1.00 0.00 C -ATOM 3445 HE1 PHE A 878 -7.052 43.096 12.209 1.00 0.00 H -ATOM 3446 CE2 PHE A 878 -4.208 44.813 11.515 1.00 0.00 C -ATOM 3447 HE2 PHE A 878 -3.771 45.805 11.627 1.00 0.00 H -ATOM 3448 CZ PHE A 878 -5.488 44.563 11.983 1.00 0.00 C -ATOM 3449 HZ PHE A 878 -6.058 45.359 12.462 1.00 0.00 H -ATOM 3450 N ASP A 879 -3.717 42.398 7.243 1.00 0.00 N -ATOM 3451 H ASP A 879 -2.709 42.172 7.368 1.00 0.00 H -ATOM 3452 CA ASP A 879 -4.078 43.395 6.242 1.00 0.00 C -ATOM 3453 HA ASP A 879 -4.621 44.220 6.704 1.00 0.00 H -ATOM 3454 C ASP A 879 -4.975 42.733 5.201 1.00 0.00 C -ATOM 3455 O ASP A 879 -6.013 43.272 4.797 1.00 0.00 O -ATOM 3456 CB ASP A 879 -2.799 43.987 5.597 1.00 0.00 C -ATOM 3457 HB3 ASP A 879 -2.184 43.165 5.230 1.00 0.00 H -ATOM 3458 HB2 ASP A 879 -3.095 44.619 4.760 1.00 0.00 H -ATOM 3459 CG ASP A 879 -1.938 44.849 6.595 1.00 0.00 C -ATOM 3460 OD1 ASP A 879 -2.253 44.919 7.821 1.00 0.00 O -ATOM 3461 OD2 ASP A 879 -0.930 45.461 6.140 1.00 0.00 O -ATOM 3462 N LEU A 880 -4.581 41.542 4.784 1.00 0.00 N -ATOM 3463 H LEU A 880 -3.695 41.143 5.156 1.00 0.00 H -ATOM 3464 CA LEU A 880 -5.349 40.778 3.824 1.00 0.00 C -ATOM 3465 HA LEU A 880 -5.480 41.350 2.906 1.00 0.00 H -ATOM 3466 C LEU A 880 -6.737 40.477 4.404 1.00 0.00 C -ATOM 3467 O LEU A 880 -7.720 40.472 3.682 1.00 0.00 O -ATOM 3468 CB LEU A 880 -4.594 39.483 3.484 1.00 0.00 C -ATOM 3469 HB3 LEU A 880 -3.600 39.786 3.154 1.00 0.00 H -ATOM 3470 HB2 LEU A 880 -4.511 38.923 4.416 1.00 0.00 H -ATOM 3471 CG LEU A 880 -5.117 38.492 2.429 1.00 0.00 C -ATOM 3472 HG LEU A 880 -5.825 37.819 2.912 1.00 0.00 H -ATOM 3473 CD1 LEU A 880 -5.910 39.174 1.299 1.00 0.00 C -ATOM 3474 HD11 LEU A 880 -6.771 39.691 1.722 1.00 0.00 H -ATOM 3475 HD12 LEU A 880 -5.268 39.892 0.788 1.00 0.00 H -ATOM 3476 HD13 LEU A 880 -6.250 38.420 0.589 1.00 0.00 H -ATOM 3477 CD2 LEU A 880 -3.925 37.702 1.873 1.00 0.00 C -ATOM 3478 HD21 LEU A 880 -3.214 38.392 1.418 1.00 0.00 H -ATOM 3479 HD22 LEU A 880 -3.439 37.161 2.685 1.00 0.00 H -ATOM 3480 HD23 LEU A 880 -4.278 36.994 1.123 1.00 0.00 H -ATOM 3481 N LEU A 881 -6.826 40.273 5.713 1.00 0.00 N -ATOM 3482 H LEU A 881 -5.971 40.327 6.303 1.00 0.00 H -ATOM 3483 CA LEU A 881 -8.113 39.974 6.330 1.00 0.00 C -ATOM 3484 HA LEU A 881 -8.559 39.177 5.735 1.00 0.00 H -ATOM 3485 C LEU A 881 -9.028 41.185 6.310 1.00 0.00 C -ATOM 3486 O LEU A 881 -10.188 41.070 5.925 1.00 0.00 O -ATOM 3487 CB LEU A 881 -7.964 39.468 7.775 1.00 0.00 C -ATOM 3488 HB3 LEU A 881 -7.449 38.508 7.743 1.00 0.00 H -ATOM 3489 HB2 LEU A 881 -7.355 40.188 8.322 1.00 0.00 H -ATOM 3490 CG LEU A 881 -9.282 39.274 8.551 1.00 0.00 C -ATOM 3491 HG LEU A 881 -9.841 40.209 8.532 1.00 0.00 H -ATOM 3492 CD1 LEU A 881 -10.162 38.204 7.887 1.00 0.00 C -ATOM 3493 HD11 LEU A 881 -10.398 38.511 6.868 1.00 0.00 H -ATOM 3494 HD12 LEU A 881 -9.626 37.255 7.867 1.00 0.00 H -ATOM 3495 HD13 LEU A 881 -11.084 38.089 8.456 1.00 0.00 H -ATOM 3496 CD2 LEU A 881 -8.979 38.918 9.997 1.00 0.00 C -ATOM 3497 HD21 LEU A 881 -8.401 37.994 10.029 1.00 0.00 H -ATOM 3498 HD22 LEU A 881 -8.405 39.723 10.455 1.00 0.00 H -ATOM 3499 HD23 LEU A 881 -9.914 38.782 10.540 1.00 0.00 H -ATOM 3500 N ILE A 882 -8.531 42.341 6.746 1.00 0.00 N -ATOM 3501 H ILE A 882 -7.547 42.403 7.076 1.00 0.00 H -ATOM 3502 CA ILE A 882 -9.390 43.517 6.752 1.00 0.00 C -ATOM 3503 HA ILE A 882 -10.308 43.267 7.283 1.00 0.00 H -ATOM 3504 C ILE A 882 -9.806 43.885 5.314 1.00 0.00 C -ATOM 3505 O ILE A 882 -10.966 44.227 5.076 1.00 0.00 O -ATOM 3506 CB ILE A 882 -8.797 44.720 7.603 1.00 0.00 C -ATOM 3507 HB ILE A 882 -9.525 45.531 7.579 1.00 0.00 H -ATOM 3508 CG1 ILE A 882 -7.489 45.252 7.008 1.00 0.00 C -ATOM 3509 HG13 ILE A 882 -6.784 44.423 6.943 1.00 0.00 H -ATOM 3510 HG12 ILE A 882 -7.700 45.627 6.006 1.00 0.00 H -ATOM 3511 CG2 ILE A 882 -8.566 44.271 9.054 1.00 0.00 C -ATOM 3512 HG21 ILE A 882 -9.513 43.954 9.490 1.00 0.00 H -ATOM 3513 HG22 ILE A 882 -7.862 43.439 9.068 1.00 0.00 H -ATOM 3514 HG23 ILE A 882 -8.159 45.102 9.630 1.00 0.00 H -ATOM 3515 CD1 ILE A 882 -6.825 46.382 7.811 1.00 0.00 C -ATOM 3516 HD11 ILE A 882 -7.508 47.229 7.876 1.00 0.00 H -ATOM 3517 HD12 ILE A 882 -6.591 46.024 8.814 1.00 0.00 H -ATOM 3518 HD13 ILE A 882 -5.907 46.691 7.311 1.00 0.00 H -ATOM 3519 N LYS A 883 -8.917 43.674 4.343 1.00 0.00 N -ATOM 3520 H LYS A 883 -7.982 43.287 4.584 1.00 0.00 H -ATOM 3521 CA LYS A 883 -9.229 43.976 2.939 1.00 0.00 C -ATOM 3522 HA LYS A 883 -9.723 44.947 2.980 1.00 0.00 H -ATOM 3523 C LYS A 883 -10.126 42.935 2.296 1.00 0.00 C -ATOM 3524 O LYS A 883 -10.888 43.257 1.389 1.00 0.00 O -ATOM 3525 CB LYS A 883 -7.976 44.008 2.073 1.00 0.00 C -ATOM 3526 HB3 LYS A 883 -7.416 43.093 2.268 1.00 0.00 H -ATOM 3527 HB2 LYS A 883 -8.294 44.023 1.031 1.00 0.00 H -ATOM 3528 CG LYS A 883 -7.056 45.152 2.279 1.00 0.00 C -ATOM 3529 HG3 LYS A 883 -7.599 46.090 2.169 1.00 0.00 H -ATOM 3530 HG2 LYS A 883 -6.619 45.102 3.276 1.00 0.00 H -ATOM 3531 CD LYS A 883 -5.970 45.061 1.236 1.00 0.00 C -ATOM 3532 HD3 LYS A 883 -5.670 44.018 1.132 1.00 0.00 H -ATOM 3533 HD2 LYS A 883 -6.365 45.421 0.286 1.00 0.00 H -ATOM 3534 CE LYS A 883 -4.752 45.885 1.601 1.00 0.00 C -ATOM 3535 HE3 LYS A 883 -4.321 45.511 2.530 1.00 0.00 H -ATOM 3536 HE2 LYS A 883 -5.040 46.928 1.730 1.00 0.00 H -ATOM 3537 NZ LYS A 883 -3.755 45.773 0.507 1.00 0.00 N -ATOM 3538 HZ1 LYS A 883 -3.484 44.776 0.387 1.00 0.00 H -ATOM 3539 HZ2 LYS A 883 -4.171 46.129 -0.377 1.00 0.00 H -ATOM 3540 HZ3 LYS A 883 -2.914 46.335 0.747 1.00 0.00 H -ATOM 3541 N SER A 884 -10.000 41.687 2.758 1.00 0.00 N -ATOM 3542 H SER A 884 -9.345 41.531 3.550 1.00 0.00 H -ATOM 3543 CA SER A 884 -10.721 40.515 2.228 1.00 0.00 C -ATOM 3544 HA SER A 884 -10.074 40.178 1.418 1.00 0.00 H -ATOM 3545 C SER A 884 -12.055 40.765 1.543 1.00 0.00 C -ATOM 3546 O SER A 884 -12.167 40.549 0.334 1.00 0.00 O -ATOM 3547 CB SER A 884 -10.873 39.434 3.304 1.00 0.00 C -ATOM 3548 HB3 SER A 884 -9.883 39.093 3.609 1.00 0.00 H -ATOM 3549 HB2 SER A 884 -11.433 38.596 2.890 1.00 0.00 H -ATOM 3550 OG SER A 884 -11.559 39.933 4.437 1.00 0.00 O -ATOM 3551 HG SER A 884 -11.052 40.692 4.820 1.00 0.00 H -ATOM 3552 N HIS A 885 -13.029 41.258 2.308 1.00 0.00 N -ATOM 3553 H HIS A 885 -12.817 41.440 3.310 1.00 0.00 H -ATOM 3554 CA HIS A 885 -14.376 41.558 1.826 1.00 0.00 C -ATOM 3555 HA HIS A 885 -14.897 40.601 1.788 1.00 0.00 H -ATOM 3556 C HIS A 885 -14.388 42.167 0.424 1.00 0.00 C -ATOM 3557 O HIS A 885 -14.901 41.561 -0.515 1.00 0.00 O -ATOM 3558 CB HIS A 885 -15.091 42.532 2.781 1.00 0.00 C -ATOM 3559 HB3 HIS A 885 -14.745 43.542 2.561 1.00 0.00 H -ATOM 3560 HB2 HIS A 885 -16.163 42.468 2.595 1.00 0.00 H -ATOM 3561 CG HIS A 885 -14.848 42.258 4.241 1.00 0.00 C -ATOM 3562 ND1 HIS A 885 -13.766 42.770 4.919 1.00 0.00 N -ATOM 3563 CD2 HIS A 885 -15.545 41.521 5.135 1.00 0.00 C -ATOM 3564 HD2 HIS A 885 -16.465 40.970 4.943 1.00 0.00 H -ATOM 3565 CE1 HIS A 885 -13.802 42.360 6.178 1.00 0.00 C -ATOM 3566 HE1 HIS A 885 -13.075 42.608 6.951 1.00 0.00 H -ATOM 3567 NE2 HIS A 885 -14.871 41.599 6.335 1.00 0.00 N -ATOM 3568 N MET A 886 -13.813 43.358 0.284 1.00 0.00 N -ATOM 3569 H MET A 886 -13.372 43.804 1.114 1.00 0.00 H -ATOM 3570 CA MET A 886 -13.780 44.065 -1.003 1.00 0.00 C -ATOM 3571 HA MET A 886 -14.754 43.859 -1.446 1.00 0.00 H -ATOM 3572 C MET A 886 -12.804 43.540 -2.083 1.00 0.00 C -ATOM 3573 O MET A 886 -12.844 44.000 -3.225 1.00 0.00 O -ATOM 3574 CB MET A 886 -13.570 45.582 -0.755 1.00 0.00 C -ATOM 3575 HB3 MET A 886 -14.239 46.123 -1.425 1.00 0.00 H -ATOM 3576 HB2 MET A 886 -13.846 45.790 0.279 1.00 0.00 H -ATOM 3577 CG MET A 886 -12.135 46.127 -0.979 1.00 0.00 C -ATOM 3578 HG3 MET A 886 -11.983 46.255 -2.051 1.00 0.00 H -ATOM 3579 HG2 MET A 886 -11.428 45.389 -0.599 1.00 0.00 H -ATOM 3580 SD MET A 886 -11.788 47.728 -0.157 1.00 0.00 S -ATOM 3581 CE MET A 886 -10.212 48.246 -1.001 1.00 0.00 C -ATOM 3582 HE1 MET A 886 -9.443 47.495 -0.824 1.00 0.00 H -ATOM 3583 HE2 MET A 886 -10.389 48.341 -2.072 1.00 0.00 H -ATOM 3584 HE3 MET A 886 -9.885 49.205 -0.599 1.00 0.00 H -ATOM 3585 N VAL A 887 -11.942 42.584 -1.738 1.00 0.00 N -ATOM 3586 H VAL A 887 -11.960 42.205 -0.770 1.00 0.00 H -ATOM 3587 CA VAL A 887 -10.968 42.057 -2.702 1.00 0.00 C -ATOM 3588 HA VAL A 887 -11.155 42.588 -3.636 1.00 0.00 H -ATOM 3589 C VAL A 887 -11.146 40.564 -3.026 1.00 0.00 C -ATOM 3590 O VAL A 887 -10.263 39.931 -3.624 1.00 0.00 O -ATOM 3591 CB VAL A 887 -9.525 42.334 -2.213 1.00 0.00 C -ATOM 3592 HB VAL A 887 -9.513 43.290 -1.689 1.00 0.00 H -ATOM 3593 CG1 VAL A 887 -9.081 41.277 -1.221 1.00 0.00 C -ATOM 3594 HG11 VAL A 887 -9.751 41.283 -0.361 1.00 0.00 H -ATOM 3595 HG12 VAL A 887 -9.109 40.298 -1.699 1.00 0.00 H -ATOM 3596 HG13 VAL A 887 -8.065 41.493 -0.892 1.00 0.00 H -ATOM 3597 CG2 VAL A 887 -8.578 42.459 -3.377 1.00 0.00 C -ATOM 3598 HG21 VAL A 887 -8.583 41.531 -3.949 1.00 0.00 H -ATOM 3599 HG22 VAL A 887 -8.896 43.283 -4.016 1.00 0.00 H -ATOM 3600 HG23 VAL A 887 -7.572 42.653 -3.006 1.00 0.00 H -ATOM 3601 N SER A 888 -12.293 40.033 -2.599 1.00 0.00 N -ATOM 3602 H SER A 888 -12.932 40.667 -2.078 1.00 0.00 H -ATOM 3603 CA SER A 888 -12.752 38.643 -2.786 1.00 0.00 C -ATOM 3604 HA SER A 888 -13.454 38.610 -1.952 1.00 0.00 H -ATOM 3605 C SER A 888 -11.912 37.401 -2.406 1.00 0.00 C -ATOM 3606 O SER A 888 -12.196 36.292 -2.885 1.00 0.00 O -ATOM 3607 CB SER A 888 -13.368 38.463 -4.169 1.00 0.00 C -ATOM 3608 HB3 SER A 888 -14.185 39.174 -4.290 1.00 0.00 H -ATOM 3609 HB2 SER A 888 -13.756 37.448 -4.257 1.00 0.00 H -ATOM 3610 OG SER A 888 -12.417 38.680 -5.181 1.00 0.00 O -ATOM 3611 HG SER A 888 -12.065 39.602 -5.109 1.00 0.00 H -ATOM 3612 N VAL A 889 -10.918 37.579 -1.529 1.00 0.00 N -ATOM 3613 H VAL A 889 -10.730 38.540 -1.180 1.00 0.00 H -ATOM 3614 CA VAL A 889 -10.079 36.475 -1.036 1.00 0.00 C -ATOM 3615 HA VAL A 889 -9.839 35.773 -1.834 1.00 0.00 H -ATOM 3616 C VAL A 889 -10.894 35.856 0.115 1.00 0.00 C -ATOM 3617 O VAL A 889 -11.475 36.609 0.910 1.00 0.00 O -ATOM 3618 CB VAL A 889 -8.740 37.003 -0.461 1.00 0.00 C -ATOM 3619 HB VAL A 889 -8.954 37.633 0.402 1.00 0.00 H -ATOM 3620 CG1 VAL A 889 -7.880 35.843 -0.016 1.00 0.00 C -ATOM 3621 HG11 VAL A 889 -8.405 35.277 0.754 1.00 0.00 H -ATOM 3622 HG12 VAL A 889 -7.676 35.196 -0.869 1.00 0.00 H -ATOM 3623 HG13 VAL A 889 -6.941 36.222 0.387 1.00 0.00 H -ATOM 3624 CG2 VAL A 889 -8.006 37.859 -1.489 1.00 0.00 C -ATOM 3625 HG21 VAL A 889 -7.796 37.260 -2.375 1.00 0.00 H -ATOM 3626 HG22 VAL A 889 -8.630 38.710 -1.764 1.00 0.00 H -ATOM 3627 HG23 VAL A 889 -7.070 38.217 -1.060 1.00 0.00 H -ATOM 3628 N ASP A 890 -10.969 34.520 0.203 1.00 0.00 N -ATOM 3629 H ASP A 890 -10.464 33.932 -0.491 1.00 0.00 H -ATOM 3630 CA ASP A 890 -11.758 33.870 1.271 1.00 0.00 C -ATOM 3631 HA ASP A 890 -12.338 34.657 1.753 1.00 0.00 H -ATOM 3632 C ASP A 890 -10.920 33.314 2.457 1.00 0.00 C -ATOM 3633 O ASP A 890 -9.783 32.831 2.270 1.00 0.00 O -ATOM 3634 CB ASP A 890 -12.783 32.857 0.666 1.00 0.00 C -ATOM 3635 HB3 ASP A 890 -13.722 32.953 1.212 1.00 0.00 H -ATOM 3636 HB2 ASP A 890 -12.944 33.117 -0.380 1.00 0.00 H -ATOM 3637 CG ASP A 890 -12.332 31.385 0.735 1.00 0.00 C -ATOM 3638 OD1 ASP A 890 -11.326 30.981 0.093 1.00 0.00 O -ATOM 3639 OD2 ASP A 890 -13.045 30.618 1.413 1.00 0.00 O -ATOM 3640 N PHE A 891 -11.431 33.508 3.680 1.00 0.00 N -ATOM 3641 H PHE A 891 -12.349 33.989 3.767 1.00 0.00 H -ATOM 3642 CA PHE A 891 -10.746 33.068 4.902 1.00 0.00 C -ATOM 3643 HA PHE A 891 -9.803 32.614 4.598 1.00 0.00 H -ATOM 3644 C PHE A 891 -11.598 32.045 5.665 1.00 0.00 C -ATOM 3645 O PHE A 891 -12.740 32.326 6.012 1.00 0.00 O -ATOM 3646 CB PHE A 891 -10.474 34.274 5.848 1.00 0.00 C -ATOM 3647 HB3 PHE A 891 -11.334 34.942 5.800 1.00 0.00 H -ATOM 3648 HB2 PHE A 891 -10.370 33.890 6.863 1.00 0.00 H -ATOM 3649 CG PHE A 891 -9.223 35.088 5.518 1.00 0.00 C -ATOM 3650 CD1 PHE A 891 -9.250 36.101 4.554 1.00 0.00 C -ATOM 3651 HD1 PHE A 891 -10.182 36.317 4.032 1.00 0.00 H -ATOM 3652 CD2 PHE A 891 -8.027 34.837 6.171 1.00 0.00 C -ATOM 3653 HD2 PHE A 891 -7.977 34.055 6.929 1.00 0.00 H -ATOM 3654 CE1 PHE A 891 -8.107 36.842 4.246 1.00 0.00 C -ATOM 3655 HE1 PHE A 891 -8.152 37.625 3.489 1.00 0.00 H -ATOM 3656 CE2 PHE A 891 -6.876 35.585 5.862 1.00 0.00 C -ATOM 3657 HE2 PHE A 891 -5.941 35.379 6.383 1.00 0.00 H -ATOM 3658 CZ PHE A 891 -6.922 36.582 4.900 1.00 0.00 C -ATOM 3659 HZ PHE A 891 -6.027 37.157 4.662 1.00 0.00 H -ATOM 3660 N PRO A 892 -11.052 30.845 5.926 1.00 0.00 N -ATOM 3661 CA PRO A 892 -11.782 29.806 6.660 1.00 0.00 C -ATOM 3662 HA PRO A 892 -12.748 29.503 6.257 1.00 0.00 H -ATOM 3663 C PRO A 892 -11.976 30.370 8.058 1.00 0.00 C -ATOM 3664 O PRO A 892 -11.052 30.952 8.621 1.00 0.00 O -ATOM 3665 CB PRO A 892 -10.792 28.648 6.669 1.00 0.00 C -ATOM 3666 HB3 PRO A 892 -10.165 28.678 7.560 1.00 0.00 H -ATOM 3667 HB2 PRO A 892 -11.311 27.691 6.624 1.00 0.00 H -ATOM 3668 CG PRO A 892 -9.970 28.878 5.420 1.00 0.00 C -ATOM 3669 HG3 PRO A 892 -9.031 28.325 5.454 1.00 0.00 H -ATOM 3670 HG2 PRO A 892 -10.522 28.599 4.523 1.00 0.00 H -ATOM 3671 CD PRO A 892 -9.737 30.353 5.480 1.00 0.00 C -ATOM 3672 HD3 PRO A 892 -9.473 30.754 4.501 1.00 0.00 H -ATOM 3673 HD2 PRO A 892 -8.955 30.603 6.197 1.00 0.00 H -ATOM 3674 N GLU A 893 -13.176 30.234 8.604 1.00 0.00 N -ATOM 3675 H GLU A 893 -13.908 29.711 8.082 1.00 0.00 H -ATOM 3676 CA GLU A 893 -13.508 30.792 9.914 1.00 0.00 C -ATOM 3677 HA GLU A 893 -13.378 31.859 9.734 1.00 0.00 H -ATOM 3678 C GLU A 893 -12.577 30.549 11.077 1.00 0.00 C -ATOM 3679 O GLU A 893 -12.321 31.462 11.858 1.00 0.00 O -ATOM 3680 CB GLU A 893 -14.937 30.437 10.304 1.00 0.00 C -ATOM 3681 HB3 GLU A 893 -15.154 29.432 9.943 1.00 0.00 H -ATOM 3682 HB2 GLU A 893 -15.013 30.456 11.391 1.00 0.00 H -ATOM 3683 CG GLU A 893 -15.987 31.401 9.724 1.00 0.00 C -ATOM 3684 HG3 GLU A 893 -16.974 30.960 9.866 1.00 0.00 H -ATOM 3685 HG2 GLU A 893 -15.929 32.342 10.271 1.00 0.00 H -ATOM 3686 CD GLU A 893 -15.800 31.699 8.224 1.00 0.00 C -ATOM 3687 OE1 GLU A 893 -15.706 30.745 7.418 1.00 0.00 O -ATOM 3688 OE2 GLU A 893 -15.762 32.891 7.845 1.00 0.00 O -ATOM 3689 N MET A 894 -12.043 29.348 11.205 1.00 0.00 N -ATOM 3690 H MET A 894 -12.255 28.603 10.511 1.00 0.00 H -ATOM 3691 CA MET A 894 -11.152 29.075 12.329 1.00 0.00 C -ATOM 3692 HA MET A 894 -11.684 29.274 13.259 1.00 0.00 H -ATOM 3693 C MET A 894 -9.942 29.975 12.239 1.00 0.00 C -ATOM 3694 O MET A 894 -9.458 30.518 13.230 1.00 0.00 O -ATOM 3695 CB MET A 894 -10.720 27.607 12.332 1.00 0.00 C -ATOM 3696 HB3 MET A 894 -11.617 26.988 12.334 1.00 0.00 H -ATOM 3697 HB2 MET A 894 -10.151 27.417 11.422 1.00 0.00 H -ATOM 3698 CG MET A 894 -9.861 27.205 13.522 1.00 0.00 C -ATOM 3699 HG3 MET A 894 -10.242 27.707 14.411 1.00 0.00 H -ATOM 3700 HG2 MET A 894 -8.836 27.526 13.336 1.00 0.00 H -ATOM 3701 SD MET A 894 -9.861 25.428 13.821 1.00 0.00 S -ATOM 3702 CE MET A 894 -9.322 24.840 12.166 1.00 0.00 C -ATOM 3703 HE1 MET A 894 -10.040 25.167 11.414 1.00 0.00 H -ATOM 3704 HE2 MET A 894 -8.340 25.254 11.937 1.00 0.00 H -ATOM 3705 HE3 MET A 894 -9.267 23.751 12.169 1.00 0.00 H -ATOM 3706 N MET A 895 -9.466 30.130 11.021 1.00 0.00 N -ATOM 3707 H MET A 895 -9.939 29.646 10.232 1.00 0.00 H -ATOM 3708 CA MET A 895 -8.311 30.948 10.744 1.00 0.00 C -ATOM 3709 HA MET A 895 -7.543 30.804 11.504 1.00 0.00 H -ATOM 3710 C MET A 895 -8.679 32.431 10.789 1.00 0.00 C -ATOM 3711 O MET A 895 -7.979 33.226 11.422 1.00 0.00 O -ATOM 3712 CB MET A 895 -7.751 30.527 9.396 1.00 0.00 C -ATOM 3713 HB3 MET A 895 -7.131 29.643 9.547 1.00 0.00 H -ATOM 3714 HB2 MET A 895 -8.588 30.275 8.745 1.00 0.00 H -ATOM 3715 CG MET A 895 -6.936 31.548 8.720 1.00 0.00 C -ATOM 3716 HG3 MET A 895 -5.982 31.666 9.235 1.00 0.00 H -ATOM 3717 HG2 MET A 895 -7.463 32.502 8.711 1.00 0.00 H -ATOM 3718 SD MET A 895 -6.668 30.991 7.072 1.00 0.00 S -ATOM 3719 CE MET A 895 -4.870 31.161 6.982 1.00 0.00 C -ATOM 3720 HE1 MET A 895 -4.596 32.202 7.151 1.00 0.00 H -ATOM 3721 HE2 MET A 895 -4.408 30.534 7.745 1.00 0.00 H -ATOM 3722 HE3 MET A 895 -4.526 30.848 5.996 1.00 0.00 H -ATOM 3723 N ALA A 896 -9.786 32.802 10.152 1.00 0.00 N -ATOM 3724 H ALA A 896 -10.346 32.093 9.636 1.00 0.00 H -ATOM 3725 CA ALA A 896 -10.219 34.186 10.170 1.00 0.00 C -ATOM 3726 HA ALA A 896 -9.560 34.812 9.568 1.00 0.00 H -ATOM 3727 C ALA A 896 -10.211 34.621 11.627 1.00 0.00 C -ATOM 3728 O ALA A 896 -9.655 35.672 11.971 1.00 0.00 O -ATOM 3729 CB ALA A 896 -11.616 34.311 9.591 1.00 0.00 C -ATOM 3730 HB1 ALA A 896 -11.615 33.952 8.562 1.00 0.00 H -ATOM 3731 HB2 ALA A 896 -12.309 33.714 10.184 1.00 0.00 H -ATOM 3732 HB3 ALA A 896 -11.925 35.356 9.612 1.00 0.00 H -ATOM 3733 N GLU A 897 -10.737 33.759 12.496 1.00 0.00 N -ATOM 3734 H GLU A 897 -11.109 32.853 12.147 1.00 0.00 H -ATOM 3735 CA GLU A 897 -10.805 34.053 13.928 1.00 0.00 C -ATOM 3736 HA GLU A 897 -11.314 35.014 14.005 1.00 0.00 H -ATOM 3737 C GLU A 897 -9.442 34.244 14.591 1.00 0.00 C -ATOM 3738 O GLU A 897 -9.253 35.144 15.402 1.00 0.00 O -ATOM 3739 CB GLU A 897 -11.612 32.990 14.664 1.00 0.00 C -ATOM 3740 HB3 GLU A 897 -12.552 32.842 14.133 1.00 0.00 H -ATOM 3741 HB2 GLU A 897 -11.043 32.060 14.659 1.00 0.00 H -ATOM 3742 CG GLU A 897 -11.927 33.355 16.111 1.00 0.00 C -ATOM 3743 HG3 GLU A 897 -11.108 33.013 16.744 1.00 0.00 H -ATOM 3744 HG2 GLU A 897 -12.016 34.439 16.187 1.00 0.00 H -ATOM 3745 CD GLU A 897 -13.217 32.725 16.600 1.00 0.00 C -ATOM 3746 OE1 GLU A 897 -14.284 33.102 16.074 1.00 0.00 O -ATOM 3747 OE2 GLU A 897 -13.167 31.868 17.511 1.00 0.00 O -ATOM 3748 N ILE A 898 -8.477 33.417 14.241 1.00 0.00 N -ATOM 3749 H ILE A 898 -8.657 32.667 13.544 1.00 0.00 H -ATOM 3750 CA ILE A 898 -7.160 33.561 14.836 1.00 0.00 C -ATOM 3751 HA ILE A 898 -7.256 33.641 15.919 1.00 0.00 H -ATOM 3752 C ILE A 898 -6.510 34.843 14.323 1.00 0.00 C -ATOM 3753 O ILE A 898 -5.891 35.578 15.087 1.00 0.00 O -ATOM 3754 CB ILE A 898 -6.275 32.288 14.567 1.00 0.00 C -ATOM 3755 HB ILE A 898 -6.355 32.039 13.509 1.00 0.00 H -ATOM 3756 CG1 ILE A 898 -6.797 31.125 15.430 1.00 0.00 C -ATOM 3757 HG13 ILE A 898 -6.887 31.476 16.458 1.00 0.00 H -ATOM 3758 HG12 ILE A 898 -7.781 30.839 15.058 1.00 0.00 H -ATOM 3759 CG2 ILE A 898 -4.776 32.537 14.847 1.00 0.00 C -ATOM 3760 HG21 ILE A 898 -4.416 33.339 14.202 1.00 0.00 H -ATOM 3761 HG22 ILE A 898 -4.645 32.822 15.891 1.00 0.00 H -ATOM 3762 HG23 ILE A 898 -4.214 31.625 14.645 1.00 0.00 H -ATOM 3763 CD1 ILE A 898 -5.911 29.894 15.425 1.00 0.00 C -ATOM 3764 HD11 ILE A 898 -5.819 29.518 14.406 1.00 0.00 H -ATOM 3765 HD12 ILE A 898 -4.924 30.156 15.807 1.00 0.00 H -ATOM 3766 HD13 ILE A 898 -6.355 29.126 16.058 1.00 0.00 H -ATOM 3767 N ILE A 899 -6.734 35.177 13.064 1.00 0.00 N -ATOM 3768 H ILE A 899 -7.352 34.592 12.466 1.00 0.00 H -ATOM 3769 CA ILE A 899 -6.105 36.372 12.526 1.00 0.00 C -ATOM 3770 HA ILE A 899 -5.038 36.284 12.733 1.00 0.00 H -ATOM 3771 C ILE A 899 -6.640 37.624 13.202 1.00 0.00 C -ATOM 3772 O ILE A 899 -5.880 38.533 13.524 1.00 0.00 O -ATOM 3773 CB ILE A 899 -6.290 36.486 10.986 1.00 0.00 C -ATOM 3774 HB ILE A 899 -7.358 36.547 10.779 1.00 0.00 H -ATOM 3775 CG1 ILE A 899 -5.722 35.250 10.280 1.00 0.00 C -ATOM 3776 HG13 ILE A 899 -6.291 34.380 10.608 1.00 0.00 H -ATOM 3777 HG12 ILE A 899 -5.852 35.383 9.206 1.00 0.00 H -ATOM 3778 CG2 ILE A 899 -5.612 37.759 10.448 1.00 0.00 C -ATOM 3779 HG21 ILE A 899 -6.057 38.634 10.922 1.00 0.00 H -ATOM 3780 HG22 ILE A 899 -4.546 37.724 10.673 1.00 0.00 H -ATOM 3781 HG23 ILE A 899 -5.755 37.817 9.369 1.00 0.00 H -ATOM 3782 CD1 ILE A 899 -4.239 34.978 10.550 1.00 0.00 C -ATOM 3783 HD11 ILE A 899 -3.648 35.830 10.215 1.00 0.00 H -ATOM 3784 HD12 ILE A 899 -4.087 34.826 11.619 1.00 0.00 H -ATOM 3785 HD13 ILE A 899 -3.930 34.084 10.008 1.00 0.00 H -ATOM 3786 N SER A 900 -7.927 37.612 13.520 1.00 0.00 N -ATOM 3787 H SER A 900 -8.488 36.757 13.329 1.00 0.00 H -ATOM 3788 CA SER A 900 -8.576 38.764 14.129 1.00 0.00 C -ATOM 3789 HA SER A 900 -7.997 39.614 13.767 1.00 0.00 H -ATOM 3790 C SER A 900 -8.474 38.925 15.652 1.00 0.00 C -ATOM 3791 O SER A 900 -8.821 39.970 16.188 1.00 0.00 O -ATOM 3792 CB SER A 900 -10.048 38.823 13.670 1.00 0.00 C -ATOM 3793 HB3 SER A 900 -10.159 38.197 12.785 1.00 0.00 H -ATOM 3794 HB2 SER A 900 -10.290 39.855 13.416 1.00 0.00 H -ATOM 3795 OG SER A 900 -10.963 38.377 14.652 1.00 0.00 O -ATOM 3796 HG SER A 900 -10.881 38.944 15.460 1.00 0.00 H -ATOM 3797 N VAL A 901 -7.942 37.938 16.350 1.00 0.00 N -ATOM 3798 H VAL A 901 -7.563 37.100 15.864 1.00 0.00 H -ATOM 3799 CA VAL A 901 -7.889 38.027 17.799 1.00 0.00 C -ATOM 3800 HA VAL A 901 -8.194 39.049 18.026 1.00 0.00 H -ATOM 3801 C VAL A 901 -6.516 37.812 18.388 1.00 0.00 C -ATOM 3802 O VAL A 901 -6.116 38.496 19.325 1.00 0.00 O -ATOM 3803 CB VAL A 901 -8.844 36.967 18.443 1.00 0.00 C -ATOM 3804 HB VAL A 901 -8.502 35.975 18.148 1.00 0.00 H -ATOM 3805 CG1 VAL A 901 -8.793 37.045 19.976 1.00 0.00 C -ATOM 3806 HG11 VAL A 901 -7.775 36.853 20.315 1.00 0.00 H -ATOM 3807 HG12 VAL A 901 -9.103 38.039 20.298 1.00 0.00 H -ATOM 3808 HG13 VAL A 901 -9.465 36.298 20.399 1.00 0.00 H -ATOM 3809 CG2 VAL A 901 -10.273 37.146 17.930 1.00 0.00 C -ATOM 3810 HG21 VAL A 901 -10.628 38.144 18.188 1.00 0.00 H -ATOM 3811 HG22 VAL A 901 -10.287 37.022 16.847 1.00 0.00 H -ATOM 3812 HG23 VAL A 901 -10.919 36.399 18.391 1.00 0.00 H -ATOM 3813 N GLN A 902 -5.813 36.820 17.865 1.00 0.00 N -ATOM 3814 H GLN A 902 -6.209 36.278 17.071 1.00 0.00 H -ATOM 3815 CA GLN A 902 -4.504 36.475 18.376 1.00 0.00 C -ATOM 3816 HA GLN A 902 -4.477 36.761 19.427 1.00 0.00 H -ATOM 3817 C GLN A 902 -3.432 37.222 17.639 1.00 0.00 C -ATOM 3818 O GLN A 902 -2.419 37.566 18.234 1.00 0.00 O -ATOM 3819 CB GLN A 902 -4.247 34.958 18.276 1.00 0.00 C -ATOM 3820 HB3 GLN A 902 -4.187 34.698 17.219 1.00 0.00 H -ATOM 3821 HB2 GLN A 902 -3.291 34.749 18.755 1.00 0.00 H -ATOM 3822 CG GLN A 902 -5.309 34.053 18.926 1.00 0.00 C -ATOM 3823 HG3 GLN A 902 -6.255 34.208 18.407 1.00 0.00 H -ATOM 3824 HG2 GLN A 902 -4.995 33.016 18.806 1.00 0.00 H -ATOM 3825 CD GLN A 902 -5.529 34.320 20.418 1.00 0.00 C -ATOM 3826 OE1 GLN A 902 -6.664 34.277 20.899 1.00 0.00 O -ATOM 3827 NE2 GLN A 902 -4.447 34.587 21.155 1.00 0.00 N -ATOM 3828 HE21 GLN A 902 -4.544 34.768 22.174 1.00 0.00 H -ATOM 3829 HE22 GLN A 902 -3.508 34.614 20.709 1.00 0.00 H -ATOM 3830 N VAL A 903 -3.621 37.449 16.340 1.00 0.00 N -ATOM 3831 H VAL A 903 -4.489 37.114 15.875 1.00 0.00 H -ATOM 3832 CA VAL A 903 -2.611 38.167 15.569 1.00 0.00 C -ATOM 3833 HA VAL A 903 -1.660 37.678 15.780 1.00 0.00 H -ATOM 3834 C VAL A 903 -2.431 39.624 16.026 1.00 0.00 C -ATOM 3835 O VAL A 903 -1.294 40.077 16.171 1.00 0.00 O -ATOM 3836 CB VAL A 903 -2.841 38.035 14.028 1.00 0.00 C -ATOM 3837 HB VAL A 903 -3.887 38.265 13.824 1.00 0.00 H -ATOM 3838 CG1 VAL A 903 -1.947 38.994 13.270 1.00 0.00 C -ATOM 3839 HG11 VAL A 903 -2.172 40.016 13.574 1.00 0.00 H -ATOM 3840 HG12 VAL A 903 -0.904 38.769 13.492 1.00 0.00 H -ATOM 3841 HG13 VAL A 903 -2.124 38.885 12.200 1.00 0.00 H -ATOM 3842 CG2 VAL A 903 -2.503 36.622 13.574 1.00 0.00 C -ATOM 3843 HG21 VAL A 903 -1.459 36.408 13.802 1.00 0.00 H -ATOM 3844 HG22 VAL A 903 -3.143 35.911 14.096 1.00 0.00 H -ATOM 3845 HG23 VAL A 903 -2.666 36.538 12.499 1.00 0.00 H -ATOM 3846 N PRO A 904 -3.534 40.366 16.292 1.00 0.00 N -ATOM 3847 CA PRO A 904 -3.373 41.753 16.738 1.00 0.00 C -ATOM 3848 HA PRO A 904 -2.913 42.386 15.979 1.00 0.00 H -ATOM 3849 C PRO A 904 -2.436 41.878 17.945 1.00 0.00 C -ATOM 3850 O PRO A 904 -1.624 42.801 18.019 1.00 0.00 O -ATOM 3851 CB PRO A 904 -4.797 42.161 17.092 1.00 0.00 C -ATOM 3852 HB3 PRO A 904 -5.080 41.800 18.081 1.00 0.00 H -ATOM 3853 HB2 PRO A 904 -4.922 43.243 17.053 1.00 0.00 H -ATOM 3854 CG PRO A 904 -5.571 41.493 16.035 1.00 0.00 C -ATOM 3855 HG3 PRO A 904 -6.634 41.467 16.277 1.00 0.00 H -ATOM 3856 HG2 PRO A 904 -5.431 41.982 15.071 1.00 0.00 H -ATOM 3857 CD PRO A 904 -4.962 40.088 16.042 1.00 0.00 C -ATOM 3858 HD3 PRO A 904 -5.106 39.590 15.083 1.00 0.00 H -ATOM 3859 HD2 PRO A 904 -5.390 39.476 16.836 1.00 0.00 H -ATOM 3860 N LYS A 905 -2.489 40.909 18.851 1.00 0.00 N -ATOM 3861 H LYS A 905 -3.151 40.118 18.717 1.00 0.00 H -ATOM 3862 CA LYS A 905 -1.632 40.937 20.031 1.00 0.00 C -ATOM 3863 HA LYS A 905 -1.812 41.897 20.514 1.00 0.00 H -ATOM 3864 C LYS A 905 -0.149 40.868 19.677 1.00 0.00 C -ATOM 3865 O LYS A 905 0.688 41.365 20.422 1.00 0.00 O -ATOM 3866 CB LYS A 905 -1.995 39.807 21.022 1.00 0.00 C -ATOM 3867 HB3 LYS A 905 -1.683 38.860 20.582 1.00 0.00 H -ATOM 3868 HB2 LYS A 905 -1.440 39.977 21.945 1.00 0.00 H -ATOM 3869 CG LYS A 905 -3.485 39.698 21.377 1.00 0.00 C -ATOM 3870 HG3 LYS A 905 -3.834 40.670 21.726 1.00 0.00 H -ATOM 3871 HG2 LYS A 905 -4.039 39.414 20.482 1.00 0.00 H -ATOM 3872 CD LYS A 905 -3.751 38.653 22.476 1.00 0.00 C -ATOM 3873 HD3 LYS A 905 -3.468 37.668 22.104 1.00 0.00 H -ATOM 3874 HD2 LYS A 905 -3.147 38.897 23.350 1.00 0.00 H -ATOM 3875 CE LYS A 905 -5.233 38.624 22.886 1.00 0.00 C -ATOM 3876 HE3 LYS A 905 -5.824 38.352 22.011 1.00 0.00 H -ATOM 3877 HE2 LYS A 905 -5.515 39.624 23.217 1.00 0.00 H -ATOM 3878 NZ LYS A 905 -5.552 37.658 23.987 1.00 0.00 N -ATOM 3879 HZ1 LYS A 905 -5.301 36.695 23.685 1.00 0.00 H -ATOM 3880 HZ2 LYS A 905 -5.007 37.909 24.836 1.00 0.00 H -ATOM 3881 HZ3 LYS A 905 -6.569 37.702 24.201 1.00 0.00 H -ATOM 3882 N ILE A 906 0.185 40.258 18.545 1.00 0.00 N -ATOM 3883 H ILE A 906 -0.565 39.882 17.930 1.00 0.00 H -ATOM 3884 CA ILE A 906 1.588 40.103 18.142 1.00 0.00 C -ATOM 3885 HA ILE A 906 2.168 39.946 19.051 1.00 0.00 H -ATOM 3886 C ILE A 906 2.076 41.353 17.449 1.00 0.00 C -ATOM 3887 O ILE A 906 3.203 41.817 17.688 1.00 0.00 O -ATOM 3888 CB ILE A 906 1.818 38.828 17.217 1.00 0.00 C -ATOM 3889 HB ILE A 906 1.176 38.909 16.340 1.00 0.00 H -ATOM 3890 CG1 ILE A 906 1.453 37.545 17.993 1.00 0.00 C -ATOM 3891 HG13 ILE A 906 2.200 37.406 18.774 1.00 0.00 H -ATOM 3892 HG12 ILE A 906 0.476 37.701 18.450 1.00 0.00 H -ATOM 3893 CG2 ILE A 906 3.289 38.764 16.745 1.00 0.00 C -ATOM 3894 HG21 ILE A 906 3.526 39.663 16.177 1.00 0.00 H -ATOM 3895 HG22 ILE A 906 3.945 38.697 17.613 1.00 0.00 H -ATOM 3896 HG23 ILE A 906 3.429 37.886 16.114 1.00 0.00 H -ATOM 3897 CD1 ILE A 906 1.386 36.270 17.189 1.00 0.00 C -ATOM 3898 HD11 ILE A 906 0.631 36.373 16.409 1.00 0.00 H -ATOM 3899 HD12 ILE A 906 2.357 36.078 16.733 1.00 0.00 H -ATOM 3900 HD13 ILE A 906 1.121 35.441 17.846 1.00 0.00 H -ATOM 3901 N LEU A 907 1.217 41.891 16.587 1.00 0.00 N -ATOM 3902 H LEU A 907 0.297 41.428 16.444 1.00 0.00 H -ATOM 3903 CA LEU A 907 1.516 43.111 15.831 1.00 0.00 C -ATOM 3904 HA LEU A 907 2.477 43.008 15.326 1.00 0.00 H -ATOM 3905 C LEU A 907 1.639 44.317 16.784 1.00 0.00 C -ATOM 3906 O LEU A 907 2.496 45.199 16.590 1.00 0.00 O -ATOM 3907 CB LEU A 907 0.437 43.324 14.751 1.00 0.00 C -ATOM 3908 HB3 LEU A 907 -0.525 43.468 15.242 1.00 0.00 H -ATOM 3909 HB2 LEU A 907 0.688 44.217 14.178 1.00 0.00 H -ATOM 3910 CG LEU A 907 0.323 42.131 13.782 1.00 0.00 C -ATOM 3911 HG LEU A 907 0.198 41.229 14.381 1.00 0.00 H -ATOM 3912 CD1 LEU A 907 -0.857 42.290 12.901 1.00 0.00 C -ATOM 3913 HD11 LEU A 907 -1.760 42.340 13.510 1.00 0.00 H -ATOM 3914 HD12 LEU A 907 -0.756 43.208 12.323 1.00 0.00 H -ATOM 3915 HD13 LEU A 907 -0.921 41.438 12.224 1.00 0.00 H -ATOM 3916 CD2 LEU A 907 1.580 41.967 12.953 1.00 0.00 C -ATOM 3917 HD21 LEU A 907 1.749 42.872 12.369 1.00 0.00 H -ATOM 3918 HD22 LEU A 907 2.430 41.795 13.614 1.00 0.00 H -ATOM 3919 HD23 LEU A 907 1.463 41.116 12.282 1.00 0.00 H -ATOM 3920 N SER A 908 0.851 44.282 17.858 1.00 0.00 N -ATOM 3921 H SER A 908 0.203 43.478 17.983 1.00 0.00 H -ATOM 3922 CA SER A 908 0.871 45.328 18.852 1.00 0.00 C -ATOM 3923 HA SER A 908 1.147 46.238 18.319 1.00 0.00 H -ATOM 3924 C SER A 908 1.943 45.131 19.931 1.00 0.00 C -ATOM 3925 O SER A 908 2.115 45.985 20.788 1.00 0.00 O -ATOM 3926 CB SER A 908 -0.519 45.531 19.479 1.00 0.00 C -ATOM 3927 HB3 SER A 908 -1.251 45.616 18.676 1.00 0.00 H -ATOM 3928 HB2 SER A 908 -0.506 46.455 20.056 1.00 0.00 H -ATOM 3929 OG SER A 908 -0.913 44.474 20.334 1.00 0.00 O -ATOM 3930 HG SER A 908 -0.940 43.628 19.820 1.00 0.00 H -ATOM 3931 N GLY A 909 2.684 44.030 19.886 1.00 0.00 N -ATOM 3932 H GLY A 909 2.519 43.323 19.142 1.00 0.00 H -ATOM 3933 CA GLY A 909 3.726 43.813 20.877 1.00 0.00 C -ATOM 3934 HA3 GLY A 909 4.456 43.135 20.435 1.00 0.00 H -ATOM 3935 HA2 GLY A 909 4.197 44.777 21.068 1.00 0.00 H -ATOM 3936 C GLY A 909 3.324 43.227 22.233 1.00 0.00 C -ATOM 3937 O GLY A 909 4.173 43.163 23.129 1.00 0.00 O -ATOM 3938 N LYS A 910 2.071 42.791 22.401 1.00 0.00 N -ATOM 3939 H LYS A 910 1.395 42.882 21.616 1.00 0.00 H -ATOM 3940 CA LYS A 910 1.619 42.182 23.673 1.00 0.00 C -ATOM 3941 HA LYS A 910 2.105 42.729 24.481 1.00 0.00 H -ATOM 3942 C LYS A 910 2.064 40.702 23.839 1.00 0.00 C -ATOM 3943 O LYS A 910 2.036 40.137 24.932 1.00 0.00 O -ATOM 3944 CB LYS A 910 0.100 42.320 23.805 1.00 0.00 C -ATOM 3945 HB3 LYS A 910 -0.379 41.677 23.066 1.00 0.00 H -ATOM 3946 HB2 LYS A 910 -0.198 42.006 24.805 1.00 0.00 H -ATOM 3947 CG LYS A 910 -0.357 43.751 23.582 1.00 0.00 C -ATOM 3948 HG3 LYS A 910 0.135 44.394 24.312 1.00 0.00 H -ATOM 3949 HG2 LYS A 910 -0.069 44.058 22.577 1.00 0.00 H -ATOM 3950 CD LYS A 910 -1.830 43.904 23.726 1.00 0.00 C -ATOM 3951 HD3 LYS A 910 -2.150 44.819 23.226 1.00 0.00 H -ATOM 3952 HD2 LYS A 910 -2.329 43.049 23.270 1.00 0.00 H -ATOM 3953 CE LYS A 910 -2.190 43.976 25.163 1.00 0.00 C -ATOM 3954 HE3 LYS A 910 -1.891 44.940 25.574 1.00 0.00 H -ATOM 3955 HE2 LYS A 910 -1.692 43.177 25.713 1.00 0.00 H -ATOM 3956 NZ LYS A 910 -3.651 43.819 25.260 1.00 0.00 N -ATOM 3957 HZ1 LYS A 910 -4.116 44.582 24.729 1.00 0.00 H -ATOM 3958 HZ2 LYS A 910 -3.927 42.899 24.861 1.00 0.00 H -ATOM 3959 HZ3 LYS A 910 -3.938 43.865 26.259 1.00 0.00 H -ATOM 3960 N VAL A 911 2.497 40.114 22.728 1.00 0.00 N -ATOM 3961 H VAL A 911 2.481 40.680 21.856 1.00 0.00 H -ATOM 3962 CA VAL A 911 2.992 38.746 22.624 1.00 0.00 C -ATOM 3963 HA VAL A 911 3.125 38.277 23.599 1.00 0.00 H -ATOM 3964 C VAL A 911 4.267 38.912 21.806 1.00 0.00 C -ATOM 3965 O VAL A 911 4.224 39.387 20.671 1.00 0.00 O -ATOM 3966 CB VAL A 911 2.025 37.872 21.822 1.00 0.00 C -ATOM 3967 HB VAL A 911 1.790 38.382 20.888 1.00 0.00 H -ATOM 3968 CG1 VAL A 911 2.661 36.551 21.476 1.00 0.00 C -ATOM 3969 HG11 VAL A 911 3.556 36.725 20.879 1.00 0.00 H -ATOM 3970 HG12 VAL A 911 2.931 36.028 22.393 1.00 0.00 H -ATOM 3971 HG13 VAL A 911 1.955 35.947 20.906 1.00 0.00 H -ATOM 3972 CG2 VAL A 911 0.736 37.674 22.588 1.00 0.00 C -ATOM 3973 HG21 VAL A 911 0.951 37.187 23.539 1.00 0.00 H -ATOM 3974 HG22 VAL A 911 0.271 38.643 22.772 1.00 0.00 H -ATOM 3975 HG23 VAL A 911 0.060 37.050 22.004 1.00 0.00 H -ATOM 3976 N LYS A 912 5.396 38.504 22.358 1.00 0.00 N -ATOM 3977 H LYS A 912 5.387 38.060 23.298 1.00 0.00 H -ATOM 3978 CA LYS A 912 6.638 38.677 21.653 1.00 0.00 C -ATOM 3979 HA LYS A 912 6.376 38.977 20.638 1.00 0.00 H -ATOM 3980 C LYS A 912 7.451 37.409 21.556 1.00 0.00 C -ATOM 3981 O LYS A 912 7.293 36.472 22.334 1.00 0.00 O -ATOM 3982 CB LYS A 912 7.483 39.752 22.347 1.00 0.00 C -ATOM 3983 HB3 LYS A 912 8.359 39.954 21.730 1.00 0.00 H -ATOM 3984 HB2 LYS A 912 6.884 40.659 22.434 1.00 0.00 H -ATOM 3985 CG LYS A 912 7.952 39.353 23.729 1.00 0.00 C -ATOM 3986 HG3 LYS A 912 7.083 39.215 24.372 1.00 0.00 H -ATOM 3987 HG2 LYS A 912 8.504 38.416 23.659 1.00 0.00 H -ATOM 3988 CD LYS A 912 8.846 40.405 24.332 1.00 0.00 C -ATOM 3989 HD3 LYS A 912 9.788 40.434 23.784 1.00 0.00 H -ATOM 3990 HD2 LYS A 912 8.356 41.376 24.263 1.00 0.00 H -ATOM 3991 CE LYS A 912 9.124 40.089 25.784 1.00 0.00 C -ATOM 3992 HE3 LYS A 912 9.721 39.179 25.846 1.00 0.00 H -ATOM 3993 HE2 LYS A 912 8.179 39.938 26.306 1.00 0.00 H -ATOM 3994 NZ LYS A 912 9.862 41.200 26.423 1.00 0.00 N -ATOM 3995 HZ1 LYS A 912 10.766 41.344 25.929 1.00 0.00 H -ATOM 3996 HZ2 LYS A 912 9.293 42.069 26.368 1.00 0.00 H -ATOM 3997 HZ3 LYS A 912 10.044 40.966 27.420 1.00 0.00 H -ATOM 3998 N PRO A 913 8.266 37.333 20.517 1.00 0.00 N -ATOM 3999 CA PRO A 913 9.146 36.208 20.249 1.00 0.00 C -ATOM 4000 HA PRO A 913 8.665 35.230 20.273 1.00 0.00 H -ATOM 4001 C PRO A 913 10.247 36.181 21.301 1.00 0.00 C -ATOM 4002 O PRO A 913 10.565 37.200 21.893 1.00 0.00 O -ATOM 4003 CB PRO A 913 9.711 36.564 18.875 1.00 0.00 C -ATOM 4004 HB3 PRO A 913 10.544 37.262 18.958 1.00 0.00 H -ATOM 4005 HB2 PRO A 913 10.037 35.673 18.337 1.00 0.00 H -ATOM 4006 CG PRO A 913 8.534 37.200 18.210 1.00 0.00 C -ATOM 4007 HG3 PRO A 913 8.827 37.745 17.313 1.00 0.00 H -ATOM 4008 HG2 PRO A 913 7.772 36.464 17.954 1.00 0.00 H -ATOM 4009 CD PRO A 913 8.060 38.134 19.296 1.00 0.00 C -ATOM 4010 HD3 PRO A 913 7.009 38.390 19.165 1.00 0.00 H -ATOM 4011 HD2 PRO A 913 8.655 39.047 19.318 1.00 0.00 H -ATOM 4012 N ILE A 914 10.813 35.008 21.538 1.00 0.00 N -ATOM 4013 H ILE A 914 10.477 34.173 21.017 1.00 0.00 H -ATOM 4014 CA ILE A 914 11.883 34.848 22.497 1.00 0.00 C -ATOM 4015 HA ILE A 914 11.994 35.741 23.112 1.00 0.00 H -ATOM 4016 C ILE A 914 13.085 34.508 21.654 1.00 0.00 C -ATOM 4017 O ILE A 914 13.129 33.460 21.029 1.00 0.00 O -ATOM 4018 CB ILE A 914 11.625 33.663 23.434 1.00 0.00 C -ATOM 4019 HB ILE A 914 11.575 32.759 22.827 1.00 0.00 H -ATOM 4020 CG1 ILE A 914 10.311 33.834 24.173 1.00 0.00 C -ATOM 4021 HG13 ILE A 914 10.414 34.641 24.898 1.00 0.00 H -ATOM 4022 HG12 ILE A 914 9.531 34.089 23.456 1.00 0.00 H -ATOM 4023 CG2 ILE A 914 12.743 33.540 24.435 1.00 0.00 C -ATOM 4024 HG21 ILE A 914 13.684 33.382 23.909 1.00 0.00 H -ATOM 4025 HG22 ILE A 914 12.804 34.455 25.024 1.00 0.00 H -ATOM 4026 HG23 ILE A 914 12.547 32.694 25.094 1.00 0.00 H -ATOM 4027 CD1 ILE A 914 9.917 32.567 24.899 1.00 0.00 C -ATOM 4028 HD11 ILE A 914 9.806 31.756 24.179 1.00 0.00 H -ATOM 4029 HD12 ILE A 914 10.690 32.309 25.622 1.00 0.00 H -ATOM 4030 HD13 ILE A 914 8.971 32.726 25.417 1.00 0.00 H -ATOM 4031 N TYR A 915 14.047 35.409 21.603 1.00 0.00 N -ATOM 4032 H TYR A 915 13.953 36.290 22.148 1.00 0.00 H -ATOM 4033 CA TYR A 915 15.235 35.191 20.798 1.00 0.00 C -ATOM 4034 HA TYR A 915 14.962 34.491 20.008 1.00 0.00 H -ATOM 4035 C TYR A 915 16.352 34.582 21.608 1.00 0.00 C -ATOM 4036 O TYR A 915 16.359 34.665 22.833 1.00 0.00 O -ATOM 4037 CB TYR A 915 15.717 36.510 20.165 1.00 0.00 C -ATOM 4038 HB3 TYR A 915 15.823 37.254 20.955 1.00 0.00 H -ATOM 4039 HB2 TYR A 915 16.687 36.336 19.699 1.00 0.00 H -ATOM 4040 CG TYR A 915 14.778 37.052 19.122 1.00 0.00 C -ATOM 4041 CD1 TYR A 915 13.600 37.695 19.484 1.00 0.00 C -ATOM 4042 HD1 TYR A 915 13.381 37.853 20.540 1.00 0.00 H -ATOM 4043 CD2 TYR A 915 15.042 36.875 17.767 1.00 0.00 C -ATOM 4044 HD2 TYR A 915 15.966 36.383 17.462 1.00 0.00 H -ATOM 4045 CE1 TYR A 915 12.696 38.141 18.527 1.00 0.00 C -ATOM 4046 HE1 TYR A 915 11.776 38.638 18.834 1.00 0.00 H -ATOM 4047 CE2 TYR A 915 14.142 37.317 16.786 1.00 0.00 C -ATOM 4048 HE2 TYR A 915 14.361 37.164 15.729 1.00 0.00 H -ATOM 4049 CZ TYR A 915 12.969 37.952 17.175 1.00 0.00 C -ATOM 4050 OH TYR A 915 12.067 38.377 16.212 1.00 0.00 O -ATOM 4051 HH TYR A 915 11.292 38.806 16.654 1.00 0.00 H -ATOM 4052 N PHE A 916 17.298 33.964 20.915 1.00 0.00 N -ATOM 4053 H PHE A 916 17.218 33.901 19.880 1.00 0.00 H -ATOM 4054 CA PHE A 916 18.439 33.376 21.580 1.00 0.00 C -ATOM 4055 HA PHE A 916 18.148 32.997 22.560 1.00 0.00 H -ATOM 4056 C PHE A 916 19.487 34.457 21.707 1.00 0.00 C -ATOM 4057 O PHE A 916 20.132 34.568 22.738 1.00 0.00 O -ATOM 4058 CB PHE A 916 18.993 32.180 20.787 1.00 0.00 C -ATOM 4059 HB3 PHE A 916 18.974 32.430 19.726 1.00 0.00 H -ATOM 4060 HB2 PHE A 916 20.023 32.005 21.100 1.00 0.00 H -ATOM 4061 CG PHE A 916 18.213 30.915 20.991 1.00 0.00 C -ATOM 4062 CD1 PHE A 916 17.006 30.705 20.326 1.00 0.00 C -ATOM 4063 HD1 PHE A 916 16.640 31.457 19.627 1.00 0.00 H -ATOM 4064 CD2 PHE A 916 18.670 29.948 21.875 1.00 0.00 C -ATOM 4065 HD2 PHE A 916 19.613 30.100 22.400 1.00 0.00 H -ATOM 4066 CE1 PHE A 916 16.263 29.553 20.540 1.00 0.00 C -ATOM 4067 HE1 PHE A 916 15.319 29.403 20.016 1.00 0.00 H -ATOM 4068 CE2 PHE A 916 17.939 28.789 22.098 1.00 0.00 C -ATOM 4069 HE2 PHE A 916 18.306 28.035 22.795 1.00 0.00 H -ATOM 4070 CZ PHE A 916 16.732 28.594 21.426 1.00 0.00 C -ATOM 4071 HZ PHE A 916 16.155 27.685 21.598 1.00 0.00 H -ATOM 4072 N HIS A 917 19.603 35.303 20.689 1.00 0.00 N -ATOM 4073 H HIS A 917 18.962 35.214 19.875 1.00 0.00 H -ATOM 4074 CA HIS A 917 20.611 36.352 20.694 1.00 0.00 C -ATOM 4075 HA HIS A 917 21.177 36.245 21.620 1.00 0.00 H -ATOM 4076 C HIS A 917 20.043 37.777 20.743 1.00 0.00 C -ATOM 4077 O HIS A 917 20.353 38.603 19.896 1.00 0.00 O -ATOM 4078 CB HIS A 917 21.524 36.170 19.471 1.00 0.00 C -ATOM 4079 HB3 HIS A 917 20.976 36.492 18.586 1.00 0.00 H -ATOM 4080 HB2 HIS A 917 22.401 36.803 19.603 1.00 0.00 H -ATOM 4081 CG HIS A 917 21.994 34.756 19.246 1.00 0.00 C -ATOM 4082 ND1 HIS A 917 23.287 34.340 19.494 1.00 0.00 N -ATOM 4083 CD2 HIS A 917 21.343 33.670 18.762 1.00 0.00 C -ATOM 4084 HD2 HIS A 917 20.297 33.626 18.458 1.00 0.00 H -ATOM 4085 CE1 HIS A 917 23.414 33.065 19.173 1.00 0.00 C -ATOM 4086 HE1 HIS A 917 24.324 32.472 19.262 1.00 0.00 H -ATOM 4087 NE2 HIS A 917 22.248 32.631 18.726 1.00 0.00 N -ATOM 4088 N THR A 918 19.206 38.052 21.735 1.00 0.00 N -ATOM 4089 H THR A 918 18.970 37.298 22.412 1.00 0.00 H -ATOM 4090 CA THR A 918 18.597 39.381 21.917 1.00 0.00 C -ATOM 4091 HA THR A 918 18.328 39.705 20.911 1.00 0.00 H -ATOM 4092 C THR A 918 19.558 40.395 22.571 1.00 0.00 C -ATOM 4093 O THR A 918 19.150 41.565 22.781 1.00 0.00 O -ATOM 4094 CB THR A 918 17.378 39.309 22.847 1.00 0.00 C -ATOM 4095 HB THR A 918 17.694 39.556 23.861 1.00 0.00 H -ATOM 4096 OG1 THR A 918 16.840 37.980 22.842 1.00 0.00 O -ATOM 4097 HG1 THR A 918 17.531 37.344 23.157 1.00 0.00 H -ATOM 4098 CG2 THR A 918 16.301 40.339 22.419 1.00 0.00 C -ATOM 4099 HG21 THR A 918 15.954 40.103 21.413 1.00 0.00 H -ATOM 4100 HG22 THR A 918 15.462 40.296 23.114 1.00 0.00 H -ATOM 4101 HG23 THR A 918 16.732 41.340 22.430 1.00 0.00 H -ATOM 4102 OXT THR A 918 20.674 39.997 22.964 1.00 0.00 O -TER 4103 THR A 918 -CONECT 12 2862 -CONECT 2862 12 -END +version https://git-lfs.github.com/spec/v1 +oid sha256:f4537cf78a23a487d8892f566fab24d1fd7c36e2813324378ffaf790aabc7e01 +size 324170 diff --git a/utils/autodock-vina-filter-plugin/tests/binding_data.txt b/utils/autodock-vina-filter-plugin/tests/binding_data.txt index a61e6ccf..c90cc8a7 100644 --- a/utils/autodock-vina-filter-plugin/tests/binding_data.txt +++ b/utils/autodock-vina-filter-plugin/tests/binding_data.txt @@ -1 +1,3 @@ -1e3g 9.899999999999999e-10 -12.277997589911775 Kd +version https://git-lfs.github.com/spec/v1 +oid sha256:dd2ef33f53e6feb02649c59d6a86c30df613ffe6d50ba8ac8705aaad6e20eae8 +size 50 diff --git a/utils/autodock-vina-filter-plugin/tests/test_autodock_vina_filter.py b/utils/autodock-vina-filter-plugin/tests/test_autodock_vina_filter.py index 7d449987..fdc5e10c 100644 --- a/utils/autodock-vina-filter-plugin/tests/test_autodock_vina_filter.py +++ b/utils/autodock-vina-filter-plugin/tests/test_autodock_vina_filter.py @@ -41,7 +41,7 @@ def test_autodock_vina_filter() -> None: def test_cwl_autodock_vina_filter() -> None: """Test autodock_vina_filter in cwltool.""" - cwl_file = Path("autodock_vina_filter.cwl") + cwl_file = Path("autodock_vina_filter_0@1@0.cwl") input_to_props = parse_cwl_arguments(cwl_file) input_log_path = "vina.log"