From d1dffad3228a51cfa1fa8dfdb87ec756c3bb110c Mon Sep 17 00:00:00 2001 From: "Jimmy C. Kromann" Date: Sun, 24 Nov 2024 22:15:46 +0100 Subject: [PATCH] Added test for issue 98 (#115) * Added issue98 test for only alpha carbons --- rmsd/__main__.py | 5 + tests/resources/issue98/test1.pdb | 1321 ++++++++++++++ tests/resources/issue98/test2.pdb | 2675 +++++++++++++++++++++++++++++ tests/test_pdb.py | 22 + tests/test_reorder_qml.py | 13 + 5 files changed, 4036 insertions(+) create mode 100644 rmsd/__main__.py create mode 100644 tests/resources/issue98/test1.pdb create mode 100644 tests/resources/issue98/test2.pdb create mode 100644 tests/test_pdb.py diff --git a/rmsd/__main__.py b/rmsd/__main__.py new file mode 100644 index 0000000..5b097c7 --- /dev/null +++ b/rmsd/__main__.py @@ -0,0 +1,5 @@ +from rmsd.calculate_rmsd import main + +if __name__ == "__main__": + result = main() + print(result) diff --git a/tests/resources/issue98/test1.pdb b/tests/resources/issue98/test1.pdb new file mode 100644 index 0000000..1d5776c --- /dev/null +++ b/tests/resources/issue98/test1.pdb @@ -0,0 +1,1321 @@ +ATOM 1 N GLY A 1 1.208 33.642 -8.601 1.00 68.91 N +ATOM 2 CA GLY A 1 0.660 33.381 -9.952 1.00 68.06 C +ATOM 3 C GLY A 1 0.951 31.935 -10.340 1.00 62.69 C +ATOM 4 O GLY A 1 1.531 31.204 -9.539 1.00 62.85 O +ATOM 5 N PRO A 2 0.589 31.490 -11.569 1.00 62.84 N +ATOM 6 CA PRO A 2 0.662 30.067 -11.940 1.00 53.42 C +ATOM 7 C PRO A 2 2.105 29.514 -11.941 1.00 48.46 C +ATOM 8 O PRO A 2 3.037 30.271 -12.323 1.00 46.72 O +ATOM 9 CB PRO A 2 0.016 30.054 -13.336 1.00 53.43 C +ATOM 10 CG PRO A 2 0.276 31.439 -13.870 1.00 61.47 C +ATOM 11 CD PRO A 2 0.088 32.342 -12.666 1.00 64.28 C +ATOM 12 N LYS A 3 2.275 28.286 -11.453 1.00 39.19 N +ATOM 13 CA LYS A 3 3.541 27.515 -11.426 1.00 39.83 C +ATOM 14 C LYS A 3 3.202 26.110 -11.942 1.00 35.32 C +ATOM 15 O LYS A 3 2.044 25.689 -11.741 1.00 33.79 O +ATOM 16 CB LYS A 3 4.118 27.367 -10.011 1.00 41.44 C +ATOM 17 CG LYS A 3 4.796 28.605 -9.428 1.00 46.61 C +ATOM 18 CD LYS A 3 5.406 28.307 -8.076 1.00 49.41 C +ATOM 19 CE LYS A 3 5.734 29.557 -7.297 1.00 56.28 C +ATOM 20 NZ LYS A 3 6.329 29.209 -5.984 1.00 60.11 N +ATOM 21 N GLN A 4 4.138 25.470 -12.631 1.00 35.08 N +ATOM 22 CA GLN A 4 3.956 24.098 -13.163 1.00 33.17 C +ATOM 23 C GLN A 4 4.935 23.151 -12.446 1.00 32.45 C +ATOM 24 O GLN A 4 6.089 23.541 -12.107 1.00 32.52 O +ATOM 25 CB GLN A 4 4.172 24.064 -14.685 1.00 35.17 C +ATOM 26 CG GLN A 4 3.428 25.099 -15.547 1.00 38.47 C +ATOM 27 CD GLN A 4 3.599 24.747 -17.000 1.00 39.33 C +ATOM 28 OE1 GLN A 4 4.656 24.969 -17.646 1.00 42.54 O +ATOM 29 NE2 GLN A 4 2.555 24.095 -17.513 1.00 36.79 N +ATOM 30 N LYS A 5 4.524 21.904 -12.279 1.00 31.48 N +ATOM 31 CA LYS A 5 5.409 20.794 -11.874 1.00 30.70 C +ATOM 32 C LYS A 5 5.613 19.938 -13.111 1.00 29.65 C +ATOM 33 O LYS A 5 4.619 19.408 -13.674 1.00 29.92 O +ATOM 34 CB LYS A 5 4.848 19.978 -10.720 1.00 30.24 C +ATOM 35 CG LYS A 5 4.230 20.792 -9.585 1.00 34.49 C +ATOM 36 CD LYS A 5 3.761 19.934 -8.457 1.00 33.03 C +ATOM 37 CE LYS A 5 4.867 19.107 -7.860 1.00 34.86 C +ATOM 38 NZ LYS A 5 4.334 18.174 -6.844 0.70 35.30 N +ATOM 39 N ILE A 6 6.835 19.885 -13.592 1.00 27.22 N +ATOM 40 CA ILE A 6 7.116 19.208 -14.883 1.00 28.26 C +ATOM 41 C ILE A 6 8.091 18.067 -14.601 1.00 27.74 C +ATOM 42 O ILE A 6 9.172 18.328 -14.108 1.00 27.95 O +ATOM 43 CB ILE A 6 7.700 20.163 -15.944 1.00 29.10 C +ATOM 44 CG1 ILE A 6 6.881 21.447 -16.109 1.00 32.51 C +ATOM 45 CG2 ILE A 6 7.928 19.454 -17.255 1.00 29.27 C +ATOM 46 CD1 ILE A 6 7.667 22.547 -16.770 1.00 35.76 C +ATOM 47 N VAL A 7 7.721 16.853 -14.965 1.00 29.00 N +ATOM 48 CA VAL A 7 8.601 15.670 -14.855 1.00 26.97 C +ATOM 49 C VAL A 7 9.222 15.383 -16.200 1.00 27.24 C +ATOM 50 O VAL A 7 8.509 15.257 -17.250 1.00 27.75 O +ATOM 51 CB VAL A 7 7.848 14.433 -14.333 1.00 27.87 C +ATOM 52 CG1 VAL A 7 8.803 13.276 -14.126 1.00 28.87 C +ATOM 53 CG2 VAL A 7 7.083 14.787 -13.069 1.00 27.62 C +ATOM 54 N ILE A 8 10.554 15.234 -16.178 1.00 27.85 N +ATOM 55 CA ILE A 8 11.334 14.860 -17.375 1.00 30.46 C +ATOM 56 C ILE A 8 11.887 13.462 -17.127 1.00 31.28 C +ATOM 57 O ILE A 8 12.511 13.272 -16.069 1.00 34.18 O +ATOM 58 CB ILE A 8 12.461 15.863 -17.626 1.00 31.53 C +ATOM 59 CG1 ILE A 8 11.935 17.278 -17.882 1.00 36.26 C +ATOM 60 CG2 ILE A 8 13.399 15.364 -18.720 1.00 34.48 C +ATOM 61 CD1 ILE A 8 12.941 18.381 -17.585 1.00 36.89 C +ATOM 62 N LYS A 9 11.657 12.527 -18.044 1.00 33.32 N +ATOM 63 CA LYS A 9 12.306 11.203 -17.985 1.00 33.85 C +ATOM 64 C LYS A 9 13.598 11.294 -18.794 1.00 35.48 C +ATOM 65 O LYS A 9 13.600 11.947 -19.855 1.00 37.81 O +ATOM 66 CB LYS A 9 11.332 10.136 -18.460 1.00 37.14 C +ATOM 67 CG LYS A 9 11.797 8.701 -18.244 1.00 40.35 C +ATOM 68 CD LYS A 9 10.745 7.636 -18.624 1.00 45.03 C +ATOM 69 CE LYS A 9 9.515 7.607 -17.730 1.00 44.68 C +ATOM 70 NZ LYS A 9 8.732 6.346 -17.873 1.00 47.30 N +ATOM 71 N ALA A 10 14.674 10.701 -18.297 1.00 37.35 N +ATOM 72 CA ALA A 10 16.001 10.704 -18.952 1.00 38.75 C +ATOM 73 C ALA A 10 16.765 9.427 -18.585 1.00 40.76 C +ATOM 74 O ALA A 10 16.320 8.704 -17.688 1.00 40.06 O +ATOM 75 CB ALA A 10 16.753 11.955 -18.556 1.00 38.51 C +ATOM 76 N THR A 11 17.842 9.111 -19.314 1.00 44.16 N +ATOM 77 CA THR A 11 18.748 7.988 -19.008 1.00 46.81 C +ATOM 78 C THR A 11 19.640 8.432 -17.846 1.00 46.71 C +ATOM 79 O THR A 11 20.576 9.217 -18.074 1.00 48.26 O +ATOM 80 CB THR A 11 19.601 7.592 -20.212 1.00 50.71 C +ATOM 81 OG1 THR A 11 18.734 7.522 -21.343 1.00 50.45 O +ATOM 82 CG2 THR A 11 20.325 6.280 -19.992 1.00 54.45 C +ATOM 83 N MET A 12 19.238 8.071 -16.636 1.00 46.28 N +ATOM 84 CA MET A 12 20.002 8.286 -15.392 1.00 46.38 C +ATOM 85 C MET A 12 19.849 6.986 -14.622 1.00 48.28 C +ATOM 86 O MET A 12 18.729 6.718 -14.150 1.00 52.82 O +ATOM 87 CB MET A 12 19.460 9.443 -14.543 1.00 45.14 C +ATOM 88 CG MET A 12 18.872 10.558 -15.313 1.00 44.78 C +ATOM 89 SD MET A 12 18.363 11.943 -14.277 0.75 36.84 S +ATOM 90 CE MET A 12 16.724 11.470 -13.736 1.00 37.60 C +ATOM 91 N SER A 13 20.915 6.198 -14.514 1.00 49.77 N +ATOM 92 CA SER A 13 20.892 4.880 -13.832 1.00 50.35 C +ATOM 93 C SER A 13 21.843 4.860 -12.621 1.00 49.10 C +ATOM 94 O SER A 13 22.054 3.781 -12.066 1.00 51.10 O +ATOM 95 CB SER A 13 21.194 3.784 -14.827 1.00 53.44 C +ATOM 96 OG SER A 13 22.485 3.959 -15.390 1.00 57.13 O +ATOM 97 N ASN A 14 22.338 6.007 -12.163 1.00 46.35 N +ATOM 98 CA ASN A 14 23.265 6.061 -11.004 1.00 46.86 C +ATOM 99 C ASN A 14 23.210 7.449 -10.385 1.00 43.48 C +ATOM 100 O ASN A 14 22.689 8.360 -10.999 1.00 40.28 O +ATOM 101 CB ASN A 14 24.703 5.674 -11.359 1.00 50.50 C +ATOM 102 CG ASN A 14 25.349 6.565 -12.402 1.00 53.38 C +ATOM 103 OD1 ASN A 14 25.441 7.782 -12.258 1.00 51.72 O +ATOM 104 ND2 ASN A 14 25.786 5.948 -13.495 1.00 59.31 N +ATOM 105 N ALA A 15 23.708 7.570 -9.164 1.00 44.05 N +ATOM 106 CA ALA A 15 23.674 8.836 -8.402 1.00 44.12 C +ATOM 107 C ALA A 15 24.478 9.930 -9.136 1.00 44.92 C +ATOM 108 O ALA A 15 24.054 11.102 -9.135 1.00 44.65 O +ATOM 109 CB ALA A 15 24.187 8.558 -7.010 1.00 47.45 C +ATOM 110 N LYS A 16 25.585 9.589 -9.794 1.00 46.45 N +ATOM 111 CA LYS A 16 26.380 10.617 -10.515 1.00 48.93 C +ATOM 112 C LYS A 16 25.555 11.277 -11.630 1.00 46.76 C +ATOM 113 O LYS A 16 25.588 12.502 -11.751 1.00 44.01 O +ATOM 114 CB LYS A 16 27.661 10.044 -11.123 1.00 53.95 C +ATOM 115 CG LYS A 16 28.633 11.110 -11.624 1.00 57.97 C +ATOM 116 CD LYS A 16 29.894 10.554 -12.269 1.00 65.14 C +ATOM 117 CE LYS A 16 30.459 11.463 -13.344 1.00 67.62 C +ATOM 118 NZ LYS A 16 31.764 10.981 -13.835 1.00 73.03 N +ATOM 119 N SER A 17 24.934 10.510 -12.515 1.00 46.81 N +ATOM 120 CA SER A 17 24.200 11.118 -13.659 1.00 46.16 C +ATOM 121 C SER A 17 22.951 11.815 -13.113 1.00 41.42 C +ATOM 122 O SER A 17 22.597 12.898 -13.605 1.00 41.45 O +ATOM 123 CB SER A 17 23.932 10.100 -14.743 1.00 48.71 C +ATOM 124 OG SER A 17 23.099 9.070 -14.244 1.00 51.55 O +ATOM 125 N ARG A 18 22.353 11.290 -12.045 1.00 39.43 N +ATOM 126 CA ARG A 18 21.180 11.946 -11.408 1.00 36.68 C +ATOM 127 C ARG A 18 21.609 13.318 -10.883 1.00 35.48 C +ATOM 128 O ARG A 18 20.870 14.331 -11.108 1.00 37.50 O +ATOM 129 CB ARG A 18 20.585 11.064 -10.316 1.00 37.29 C +ATOM 130 CG ARG A 18 19.878 9.831 -10.849 1.00 38.89 C +ATOM 131 CD ARG A 18 19.493 8.821 -9.791 1.00 39.60 C +ATOM 132 NE ARG A 18 18.987 7.633 -10.483 1.00 43.14 N +ATOM 133 CZ ARG A 18 19.257 6.366 -10.167 1.00 44.37 C +ATOM 134 NH1 ARG A 18 20.108 6.081 -9.189 1.00 43.60 N +ATOM 135 NH2 ARG A 18 18.707 5.383 -10.877 1.00 43.66 N +ATOM 136 N ALA A 19 22.753 13.360 -10.207 1.00 38.44 N +ATOM 137 CA ALA A 19 23.318 14.603 -9.661 1.00 39.72 C +ATOM 138 C ALA A 19 23.545 15.610 -10.799 1.00 41.44 C +ATOM 139 O ALA A 19 23.158 16.773 -10.639 1.00 40.80 O +ATOM 140 CB ALA A 19 24.603 14.302 -8.917 1.00 42.39 C +ATOM 141 N GLN A 20 24.189 15.194 -11.899 1.00 44.65 N +ATOM 142 CA GLN A 20 24.462 16.100 -13.050 1.00 47.05 C +ATOM 143 C GLN A 20 23.147 16.703 -13.569 1.00 43.02 C +ATOM 144 O GLN A 20 23.118 17.925 -13.817 1.00 43.34 O +ATOM 145 CB GLN A 20 25.248 15.349 -14.120 1.00 52.45 C +ATOM 146 CG GLN A 20 26.714 15.181 -13.737 1.00 59.09 C +ATOM 147 CD GLN A 20 27.429 14.074 -14.478 1.00 64.84 C +ATOM 148 OE1 GLN A 20 26.848 13.329 -15.268 1.00 66.84 O +ATOM 149 NE2 GLN A 20 28.711 13.940 -14.194 1.00 69.16 N +ATOM 150 N ALA A 21 22.093 15.900 -13.716 1.00 42.25 N +ATOM 151 CA ALA A 21 20.749 16.343 -14.198 1.00 41.75 C +ATOM 152 C ALA A 21 20.148 17.400 -13.260 1.00 40.36 C +ATOM 153 O ALA A 21 19.686 18.479 -13.709 1.00 40.52 O +ATOM 154 CB ALA A 21 19.837 15.151 -14.310 1.00 42.74 C +ATOM 155 N MET A 22 20.183 17.123 -11.963 1.00 38.27 N +ATOM 156 CA MET A 22 19.695 18.075 -10.945 1.00 38.31 C +ATOM 157 C MET A 22 20.484 19.375 -11.014 1.00 38.42 C +ATOM 158 O MET A 22 19.852 20.445 -11.021 1.00 39.09 O +ATOM 159 CB MET A 22 19.772 17.454 -9.566 1.00 39.13 C +ATOM 160 CG MET A 22 18.935 16.223 -9.550 1.00 41.11 C +ATOM 161 SD MET A 22 18.930 15.583 -7.907 1.00 43.15 S +ATOM 162 CE MET A 22 17.874 16.846 -7.178 1.00 45.55 C +ATOM 163 N VAL A 23 21.815 19.334 -11.079 1.00 40.71 N +ATOM 164 CA VAL A 23 22.577 20.613 -11.141 1.00 42.65 C +ATOM 165 C VAL A 23 22.162 21.407 -12.391 1.00 42.85 C +ATOM 166 O VAL A 23 21.938 22.618 -12.294 1.00 43.24 O +ATOM 167 CB VAL A 23 24.090 20.349 -11.094 1.00 45.08 C +ATOM 168 CG1 VAL A 23 24.888 21.613 -11.380 1.00 47.95 C +ATOM 169 CG2 VAL A 23 24.464 19.739 -9.744 1.00 45.70 C +ATOM 170 N LEU A 24 22.092 20.752 -13.542 1.00 45.44 N +ATOM 171 CA LEU A 24 21.732 21.412 -14.832 1.00 48.67 C +ATOM 172 C LEU A 24 20.336 22.030 -14.714 1.00 46.34 C +ATOM 173 O LEU A 24 20.148 23.201 -15.090 1.00 47.91 O +ATOM 174 CB LEU A 24 21.768 20.350 -15.921 1.00 53.48 C +ATOM 175 CG LEU A 24 21.945 20.904 -17.325 1.00 60.73 C +ATOM 176 CD1 LEU A 24 22.317 19.782 -18.291 1.00 63.64 C +ATOM 177 CD2 LEU A 24 20.680 21.637 -17.758 1.00 59.49 C +ATOM 178 N ALA A 25 19.391 21.273 -14.176 1.00 44.75 N +ATOM 179 CA ALA A 25 18.004 21.762 -14.016 1.00 41.50 C +ATOM 180 C ALA A 25 18.002 22.950 -13.040 1.00 45.29 C +ATOM 181 O ALA A 25 17.318 23.953 -13.310 1.00 46.20 O +ATOM 182 CB ALA A 25 17.150 20.620 -13.577 1.00 39.56 C +ATOM 183 N SER A 26 18.765 22.884 -11.942 1.00 45.16 N +ATOM 184 CA SER A 26 18.748 23.933 -10.887 1.00 47.43 C +ATOM 185 C SER A 26 19.255 25.253 -11.446 1.00 49.03 C +ATOM 186 O SER A 26 18.866 26.275 -10.910 1.00 51.71 O +ATOM 187 CB SER A 26 19.537 23.530 -9.676 1.00 49.78 C +ATOM 188 OG SER A 26 18.808 22.498 -9.036 1.00 52.43 O +ATOM 189 N LYS A 27 20.068 25.224 -12.495 1.00 51.06 N +ATOM 190 CA LYS A 27 20.671 26.460 -13.054 1.00 56.15 C +ATOM 191 C LYS A 27 19.723 27.149 -14.050 1.00 54.99 C +ATOM 192 O LYS A 27 19.961 28.343 -14.361 1.00 56.21 O +ATOM 193 CB LYS A 27 22.026 26.115 -13.669 1.00 59.18 C +ATOM 194 CG LYS A 27 23.023 25.577 -12.654 1.00 62.08 C +ATOM 195 CD LYS A 27 24.451 25.540 -13.145 1.00 65.80 C +ATOM 196 CE LYS A 27 25.433 25.367 -12.007 1.00 67.41 C +ATOM 197 NZ LYS A 27 26.641 24.636 -12.451 1.00 70.62 N +ATOM 198 N ALA A 28 18.681 26.459 -14.511 1.00 51.62 N +ATOM 199 CA ALA A 28 17.760 27.002 -15.536 1.00 51.89 C +ATOM 200 C ALA A 28 16.866 28.083 -14.911 1.00 52.40 C +ATOM 201 O ALA A 28 16.319 27.863 -13.815 1.00 50.46 O +ATOM 202 CB ALA A 28 16.960 25.912 -16.161 1.00 47.96 C +ATOM 203 N ASN A 29 16.705 29.207 -15.615 1.00 52.18 N +ATOM 204 CA ASN A 29 15.812 30.319 -15.206 1.00 53.96 C +ATOM 205 C ASN A 29 14.417 29.772 -14.959 1.00 49.27 C +ATOM 206 O ASN A 29 13.927 28.915 -15.740 1.00 47.84 O +ATOM 207 CB ASN A 29 15.717 31.452 -16.237 1.00 58.64 C +ATOM 208 CG ASN A 29 17.061 32.070 -16.502 1.00 65.02 C +ATOM 209 OD1 ASN A 29 17.996 31.866 -15.728 1.00 69.15 O +ATOM 210 ND2 ASN A 29 17.175 32.818 -17.589 1.00 69.92 N +ATOM 211 N GLY A 30 13.814 30.252 -13.886 1.00 49.06 N +ATOM 212 CA GLY A 30 12.446 29.878 -13.503 1.00 46.84 C +ATOM 213 C GLY A 30 12.389 28.602 -12.701 1.00 41.89 C +ATOM 214 O GLY A 30 11.338 28.384 -12.093 1.00 41.72 O +ATOM 215 N VAL A 31 13.462 27.810 -12.625 1.00 40.76 N +ATOM 216 CA VAL A 31 13.365 26.551 -11.829 1.00 39.15 C +ATOM 217 C VAL A 31 13.525 26.916 -10.355 1.00 40.50 C +ATOM 218 O VAL A 31 14.623 27.415 -9.965 1.00 43.21 O +ATOM 219 CB VAL A 31 14.368 25.480 -12.275 1.00 37.62 C +ATOM 220 CG1 VAL A 31 14.295 24.274 -11.368 1.00 37.08 C +ATOM 221 CG2 VAL A 31 14.166 25.095 -13.723 1.00 37.42 C +ATOM 222 N GLY A 32 12.461 26.743 -9.579 1.00 37.76 N +ATOM 223 CA GLY A 32 12.427 27.048 -8.136 1.00 39.58 C +ATOM 224 C GLY A 32 12.963 25.874 -7.323 1.00 38.74 C +ATOM 225 O GLY A 32 13.582 26.098 -6.221 1.00 41.66 O +ATOM 226 N SER A 33 12.728 24.657 -7.817 0.50 36.79 N +ATOM 228 CA SER A 33 13.054 23.390 -7.111 0.50 35.27 C +ATOM 230 C SER A 33 13.171 22.245 -8.114 0.50 34.45 C +ATOM 232 O SER A 33 12.501 22.283 -9.195 0.50 32.58 O +ATOM 234 CB SER A 33 12.035 23.104 -6.035 0.50 35.99 C +ATOM 236 OG SER A 33 12.202 21.799 -5.521 0.50 36.01 O +ATOM 238 N VAL A 34 13.955 21.226 -7.764 0.50 31.91 N +ATOM 240 CA VAL A 34 14.110 20.008 -8.599 0.50 31.68 C +ATOM 242 C VAL A 34 14.292 18.810 -7.667 0.50 31.91 C +ATOM 244 O VAL A 34 15.088 18.938 -6.719 0.50 32.96 O +ATOM 246 CB VAL A 34 15.278 20.161 -9.590 0.50 31.69 C +ATOM 248 CG1 VAL A 34 16.635 19.997 -8.913 0.50 33.56 C +ATOM 250 CG2 VAL A 34 15.122 19.207 -10.756 0.50 31.88 C +ATOM 252 N GLY A 35 13.617 17.696 -7.959 1.00 32.03 N +ATOM 253 CA GLY A 35 13.791 16.440 -7.203 1.00 32.23 C +ATOM 254 C GLY A 35 13.721 15.236 -8.100 1.00 32.56 C +ATOM 255 O GLY A 35 13.052 15.304 -9.136 1.00 33.91 O +ATOM 256 N ILE A 36 14.331 14.141 -7.647 1.00 31.27 N +ATOM 257 CA ILE A 36 14.310 12.841 -8.355 1.00 32.40 C +ATOM 258 C ILE A 36 12.955 12.187 -8.104 1.00 33.96 C +ATOM 259 O ILE A 36 12.396 12.286 -6.993 1.00 32.69 O +ATOM 260 CB ILE A 36 15.485 11.972 -7.878 1.00 35.44 C +ATOM 261 CG1 ILE A 36 16.821 12.627 -8.244 1.00 36.38 C +ATOM 262 CG2 ILE A 36 15.372 10.540 -8.401 1.00 33.91 C +ATOM 263 CD1 ILE A 36 17.049 12.821 -9.713 1.00 42.23 C +ATOM 264 N THR A 37 12.387 11.574 -9.123 1.00 30.55 N +ATOM 265 CA THR A 37 11.145 10.806 -8.956 1.00 31.44 C +ATOM 266 C THR A 37 11.247 9.551 -9.808 1.00 31.89 C +ATOM 267 O THR A 37 12.243 9.385 -10.543 1.00 31.90 O +ATOM 268 CB THR A 37 9.891 11.648 -9.248 1.00 35.08 C +ATOM 269 OG1 THR A 37 8.786 10.879 -8.750 1.00 39.89 O +ATOM 270 CG2 THR A 37 9.767 11.982 -10.712 1.00 33.49 C +ATOM 271 N GLY A 38 10.221 8.719 -9.717 1.00 32.81 N +ATOM 272 CA GLY A 38 10.149 7.533 -10.557 1.00 32.33 C +ATOM 273 C GLY A 38 10.626 6.308 -9.828 1.00 34.10 C +ATOM 274 O GLY A 38 11.593 6.430 -8.985 1.00 36.78 O +ATOM 275 N ASP A 39 9.977 5.180 -10.125 1.00 34.06 N +ATOM 276 CA ASP A 39 10.334 3.862 -9.518 1.00 37.42 C +ATOM 277 C ASP A 39 11.816 3.562 -9.804 1.00 38.58 C +ATOM 278 O ASP A 39 12.477 2.986 -8.957 1.00 39.64 O +ATOM 279 CB ASP A 39 9.378 2.756 -9.993 1.00 39.97 C +ATOM 280 CG ASP A 39 8.079 2.715 -9.207 1.00 39.50 C +ATOM 281 OD1 ASP A 39 7.926 3.537 -8.243 1.00 38.48 O +ATOM 282 OD2 ASP A 39 7.234 1.858 -9.526 1.00 40.09 O +ATOM 283 N LEU A 40 12.345 3.943 -10.958 1.00 39.66 N +ATOM 284 CA LEU A 40 13.757 3.682 -11.326 1.00 41.16 C +ATOM 285 C LEU A 40 14.634 4.922 -11.144 1.00 37.18 C +ATOM 286 O LEU A 40 15.789 4.883 -11.546 1.00 39.43 O +ATOM 287 CB LEU A 40 13.738 3.263 -12.792 1.00 42.14 C +ATOM 288 CG LEU A 40 12.878 2.031 -13.073 1.00 44.92 C +ATOM 289 CD1 LEU A 40 13.150 1.553 -14.485 1.00 45.90 C +ATOM 290 CD2 LEU A 40 13.180 0.934 -12.050 1.00 46.38 C +ATOM 291 N LYS A 41 14.128 5.961 -10.502 1.00 36.57 N +ATOM 292 CA LYS A 41 14.851 7.239 -10.321 1.00 35.56 C +ATOM 293 C LYS A 41 15.397 7.710 -11.662 1.00 35.75 C +ATOM 294 O LYS A 41 16.561 8.169 -11.724 1.00 35.73 O +ATOM 295 CB LYS A 41 15.931 7.071 -9.243 1.00 39.89 C +ATOM 296 CG LYS A 41 15.361 6.804 -7.858 1.00 42.97 C +ATOM 297 CD LYS A 41 16.337 7.127 -6.731 1.00 46.74 C +ATOM 298 CE LYS A 41 16.217 6.180 -5.567 1.00 52.43 C +ATOM 299 NZ LYS A 41 15.330 6.752 -4.533 1.00 53.45 N +ATOM 300 N ASP A 42 14.579 7.606 -12.716 1.00 33.22 N +ATOM 301 CA ASP A 42 14.968 8.013 -14.090 1.00 36.41 C +ATOM 302 C ASP A 42 14.207 9.275 -14.461 1.00 33.25 C +ATOM 303 O ASP A 42 14.089 9.566 -15.666 1.00 34.51 O +ATOM 304 CB ASP A 42 14.656 6.917 -15.112 1.00 37.42 C +ATOM 305 CG ASP A 42 13.206 6.444 -15.101 1.00 38.17 C +ATOM 306 OD1 ASP A 42 12.392 6.910 -14.235 1.00 36.34 O +ATOM 307 OD2 ASP A 42 12.899 5.574 -15.926 1.00 38.25 O +ATOM 308 N GLN A 43 13.654 9.952 -13.451 1.00 33.90 N +ATOM 309 CA GLN A 43 12.834 11.160 -13.675 1.00 31.53 C +ATOM 310 C GLN A 43 13.300 12.253 -12.731 1.00 33.17 C +ATOM 311 O GLN A 43 13.647 11.962 -11.571 1.00 32.84 O +ATOM 312 CB GLN A 43 11.357 10.847 -13.493 1.00 31.97 C +ATOM 313 CG GLN A 43 10.798 9.999 -14.614 1.00 31.38 C +ATOM 314 CD GLN A 43 9.465 9.363 -14.332 1.00 34.18 C +ATOM 315 OE1 GLN A 43 8.404 9.962 -14.476 1.00 37.72 O +ATOM 316 NE2 GLN A 43 9.494 8.092 -14.019 1.00 38.18 N +ATOM 317 N LEU A 44 13.235 13.476 -13.230 1.00 34.34 N +ATOM 318 CA LEU A 44 13.352 14.671 -12.390 1.00 36.61 C +ATOM 319 C LEU A 44 12.165 15.595 -12.603 1.00 32.43 C +ATOM 320 O LEU A 44 11.720 15.822 -13.741 1.00 32.08 O +ATOM 321 CB LEU A 44 14.665 15.399 -12.611 1.00 40.65 C +ATOM 322 CG LEU A 44 14.878 16.077 -13.937 1.00 46.14 C +ATOM 323 CD1 LEU A 44 15.900 17.202 -13.784 1.00 52.34 C +ATOM 324 CD2 LEU A 44 15.352 15.060 -14.961 1.00 54.44 C +ATOM 325 N GLU A 45 11.680 16.059 -11.475 1.00 31.28 N +ATOM 326 CA GLU A 45 10.560 17.005 -11.442 1.00 29.03 C +ATOM 327 C GLU A 45 11.111 18.379 -11.131 1.00 28.77 C +ATOM 328 O GLU A 45 11.712 18.572 -10.000 1.00 29.71 O +ATOM 329 CB GLU A 45 9.555 16.559 -10.390 1.00 27.91 C +ATOM 330 CG GLU A 45 8.277 17.364 -10.475 1.00 28.93 C +ATOM 331 CD GLU A 45 7.184 16.907 -9.560 1.00 29.17 C +ATOM 332 OE1 GLU A 45 7.477 16.731 -8.329 1.00 30.09 O +ATOM 333 OE2 GLU A 45 6.045 16.729 -10.079 1.00 32.08 O +ATOM 334 N VAL A 46 10.799 19.326 -12.010 1.00 27.11 N +ATOM 335 CA VAL A 46 11.138 20.757 -11.801 1.00 30.45 C +ATOM 336 C VAL A 46 9.860 21.505 -11.494 1.00 32.12 C +ATOM 337 O VAL A 46 8.815 21.115 -11.987 1.00 31.07 O +ATOM 338 CB VAL A 46 11.861 21.360 -13.019 1.00 34.11 C +ATOM 339 CG1 VAL A 46 13.173 20.655 -13.248 1.00 37.63 C +ATOM 340 CG2 VAL A 46 10.996 21.350 -14.278 1.00 35.88 C +ATOM 341 N VAL A 47 9.939 22.538 -10.680 1.00 32.76 N +ATOM 342 CA VAL A 47 8.766 23.350 -10.282 1.00 33.49 C +ATOM 343 C VAL A 47 9.132 24.805 -10.540 1.00 36.61 C +ATOM 344 O VAL A 47 10.235 25.204 -10.138 1.00 35.51 O +ATOM 345 CB VAL A 47 8.372 23.118 -8.818 1.00 34.73 C +ATOM 346 CG1 VAL A 47 7.220 24.015 -8.398 1.00 38.48 C +ATOM 347 CG2 VAL A 47 8.016 21.650 -8.590 1.00 34.67 C +ATOM 348 N GLY A 48 8.246 25.536 -11.202 1.00 35.38 N +ATOM 349 CA GLY A 48 8.493 26.968 -11.432 1.00 37.22 C +ATOM 350 C GLY A 48 7.610 27.566 -12.486 1.00 38.66 C +ATOM 351 O GLY A 48 6.736 26.880 -13.065 1.00 36.29 O +ATOM 352 N VAL A 49 7.812 28.850 -12.688 1.00 42.39 N +ATOM 353 CA VAL A 49 7.081 29.644 -13.709 1.00 46.05 C +ATOM 354 C VAL A 49 8.158 30.282 -14.560 1.00 48.48 C +ATOM 355 O VAL A 49 9.240 30.657 -14.006 1.00 45.47 O +ATOM 356 CB VAL A 49 6.117 30.659 -13.077 1.00 50.49 C +ATOM 357 CG1 VAL A 49 6.821 31.652 -12.169 1.00 53.26 C +ATOM 358 CG2 VAL A 49 5.293 31.379 -14.138 1.00 52.74 C +ATOM 359 N GLY A 50 7.902 30.321 -15.861 1.00 49.73 N +ATOM 360 CA GLY A 50 8.782 30.976 -16.836 1.00 52.63 C +ATOM 361 C GLY A 50 9.943 30.070 -17.184 1.00 51.13 C +ATOM 362 O GLY A 50 10.942 30.570 -17.685 1.00 51.19 O +ATOM 363 N ILE A 51 9.828 28.770 -16.904 1.00 51.13 N +ATOM 364 CA ILE A 51 10.918 27.815 -17.236 1.00 50.19 C +ATOM 365 C ILE A 51 10.938 27.663 -18.748 1.00 56.92 C +ATOM 366 O ILE A 51 9.856 27.454 -19.336 1.00 59.26 O +ATOM 367 CB ILE A 51 10.709 26.467 -16.548 1.00 48.10 C +ATOM 368 CG1 ILE A 51 10.655 26.654 -15.037 1.00 45.75 C +ATOM 369 CG2 ILE A 51 11.775 25.469 -16.981 1.00 48.42 C +ATOM 370 CD1 ILE A 51 10.086 25.458 -14.338 1.00 44.27 C +ATOM 371 N ASP A 52 12.119 27.747 -19.339 1.00 55.29 N +ATOM 372 CA ASP A 52 12.327 27.396 -20.760 1.00 57.81 C +ATOM 373 C ASP A 52 12.496 25.876 -20.861 1.00 53.91 C +ATOM 374 O ASP A 52 13.623 25.386 -20.840 1.00 52.40 O +ATOM 375 CB ASP A 52 13.501 28.176 -21.343 1.00 60.77 C +ATOM 376 CG ASP A 52 13.538 28.027 -22.848 1.00 63.40 C +ATOM 377 OD1 ASP A 52 12.743 27.195 -23.365 1.00 59.66 O +ATOM 378 OD2 ASP A 52 14.334 28.738 -23.480 1.00 69.62 O +ATOM 379 N ILE A 53 11.395 25.140 -20.951 1.00 54.91 N +ATOM 380 CA ILE A 53 11.418 23.653 -20.821 1.00 54.15 C +ATOM 381 C ILE A 53 12.067 23.064 -22.067 1.00 55.43 C +ATOM 382 O ILE A 53 12.751 22.026 -21.960 1.00 52.35 O +ATOM 383 CB ILE A 53 10.012 23.054 -20.623 1.00 56.87 C +ATOM 384 CG1 ILE A 53 9.128 23.922 -19.725 1.00 58.45 C +ATOM 385 CG2 ILE A 53 10.122 21.622 -20.110 1.00 54.44 C +ATOM 386 CD1 ILE A 53 8.311 24.976 -20.460 1.00 62.45 C +ATOM 387 N ALA A 54 11.767 23.636 -23.228 1.00 57.66 N +ATOM 388 CA ALA A 54 12.308 23.148 -24.510 1.00 59.90 C +ATOM 389 C ALA A 54 13.829 23.158 -24.374 1.00 59.69 C +ATOM 390 O ALA A 54 14.457 22.111 -24.538 1.00 60.27 O +ATOM 391 CB ALA A 54 11.808 24.011 -25.644 1.00 62.49 C +ATOM 392 N CYS A 55 14.379 24.286 -23.951 1.00 61.86 N +ATOM 393 CA CYS A 55 15.829 24.466 -23.703 1.00 64.32 C +ATOM 394 C CYS A 55 16.312 23.483 -22.635 1.00 59.05 C +ATOM 395 O CYS A 55 17.363 22.882 -22.825 1.00 61.80 O +ATOM 396 CB CYS A 55 16.134 25.889 -23.257 1.00 69.54 C +ATOM 397 SG CYS A 55 17.895 26.166 -22.950 1.00 78.08 S +ATOM 398 N LEU A 56 15.601 23.359 -21.522 1.00 55.70 N +ATOM 399 CA LEU A 56 16.030 22.462 -20.422 1.00 53.28 C +ATOM 400 C LEU A 56 16.080 21.010 -20.925 1.00 52.81 C +ATOM 401 O LEU A 56 17.130 20.380 -20.762 1.00 56.29 O +ATOM 402 CB LEU A 56 15.081 22.640 -19.235 1.00 53.12 C +ATOM 403 CG LEU A 56 15.263 21.649 -18.080 1.00 51.14 C +ATOM 404 CD1 LEU A 56 16.732 21.498 -17.711 1.00 52.50 C +ATOM 405 CD2 LEU A 56 14.429 22.065 -16.870 1.00 47.89 C +ATOM 406 N VAL A 57 15.028 20.519 -21.589 1.00 50.43 N +ATOM 407 CA VAL A 57 15.008 19.162 -22.216 1.00 49.29 C +ATOM 408 C VAL A 57 16.177 19.035 -23.223 1.00 52.83 C +ATOM 409 O VAL A 57 16.812 17.963 -23.260 1.00 49.33 O +ATOM 410 CB VAL A 57 13.648 18.872 -22.880 1.00 51.06 C +ATOM 411 CG1 VAL A 57 13.663 17.547 -23.618 1.00 53.89 C +ATOM 412 CG2 VAL A 57 12.499 18.911 -21.879 1.00 48.05 C +ATOM 413 N ARG A 58 16.474 20.081 -23.995 1.00 55.70 N +ATOM 414 CA ARG A 58 17.568 20.061 -25.011 1.00 63.95 C +ATOM 415 C ARG A 58 18.926 19.857 -24.322 1.00 63.94 C +ATOM 416 O ARG A 58 19.706 19.014 -24.802 1.00 60.96 O +ATOM 417 CB ARG A 58 17.598 21.342 -25.862 1.00 70.77 C +ATOM 418 CG ARG A 58 16.377 21.569 -26.748 1.00 77.29 C +ATOM 419 CD ARG A 58 15.927 20.370 -27.579 1.00 81.75 C +ATOM 420 NE ARG A 58 14.618 20.531 -28.235 1.00 87.82 N +ATOM 421 CZ ARG A 58 13.417 20.185 -27.725 1.00 88.03 C +ATOM 422 NH1 ARG A 58 12.321 20.374 -28.440 1.00 88.18 N +ATOM 423 NH2 ARG A 58 13.294 19.669 -26.510 1.00 84.17 N +ATOM 424 N CYS A 59 19.211 20.615 -23.255 1.00 64.33 N +ATOM 425 CA CYS A 59 20.482 20.549 -22.475 1.00 66.63 C +ATOM 426 C CYS A 59 20.616 19.165 -21.831 1.00 61.42 C +ATOM 427 O CYS A 59 21.705 18.598 -21.880 1.00 64.35 O +ATOM 428 CB CYS A 59 20.549 21.615 -21.386 1.00 69.66 C +ATOM 429 SG CYS A 59 20.732 23.316 -21.991 1.00 78.66 S +ATOM 430 N LEU A 60 19.541 18.654 -21.230 1.00 56.76 N +ATOM 431 CA LEU A 60 19.523 17.293 -20.641 1.00 53.86 C +ATOM 432 C LEU A 60 19.642 16.254 -21.761 1.00 56.54 C +ATOM 433 O LEU A 60 20.336 15.245 -21.540 1.00 58.95 O +ATOM 434 CB LEU A 60 18.237 17.082 -19.844 1.00 48.24 C +ATOM 435 CG LEU A 60 18.131 17.840 -18.528 1.00 47.73 C +ATOM 436 CD1 LEU A 60 16.720 17.753 -17.990 1.00 46.68 C +ATOM 437 CD2 LEU A 60 19.109 17.287 -17.496 1.00 49.70 C +ATOM 438 N ARG A 61 18.982 16.452 -22.902 1.00 57.60 N +ATOM 439 CA ARG A 61 19.017 15.427 -23.982 1.00 62.11 C +ATOM 440 C ARG A 61 20.462 15.321 -24.493 1.00 65.98 C +ATOM 441 O ARG A 61 20.899 14.189 -24.774 1.00 67.59 O +ATOM 442 CB ARG A 61 18.006 15.724 -25.097 1.00 63.12 C +ATOM 443 CG ARG A 61 17.939 14.618 -26.142 1.00 67.56 C +ATOM 444 CD ARG A 61 16.921 14.832 -27.250 1.00 68.13 C +ATOM 445 NE ARG A 61 15.557 14.792 -26.725 1.00 66.38 N +ATOM 446 CZ ARG A 61 14.608 15.707 -26.944 1.00 63.78 C +ATOM 447 NH1 ARG A 61 14.821 16.766 -27.714 1.00 65.90 N +ATOM 448 NH2 ARG A 61 13.417 15.533 -26.405 1.00 60.83 N +ATOM 449 N LYS A 62 21.192 16.441 -24.553 1.00 67.75 N +ATOM 450 CA LYS A 62 22.609 16.476 -25.028 1.00 72.08 C +ATOM 451 C LYS A 62 23.472 15.718 -24.027 1.00 72.47 C +ATOM 452 O LYS A 62 24.363 14.988 -24.452 1.00 75.65 O +ATOM 453 CB LYS A 62 23.187 17.894 -25.145 1.00 75.08 C +ATOM 454 CG LYS A 62 24.713 17.974 -25.068 1.00 78.31 C +ATOM 455 CD LYS A 62 25.291 19.373 -25.145 1.00 81.35 C +ATOM 456 CE LYS A 62 25.156 20.016 -26.511 1.00 84.51 C +ATOM 457 NZ LYS A 62 25.961 19.322 -27.548 1.00 87.55 N +ATOM 458 N LYS A 63 23.248 15.960 -22.739 1.00 68.66 N +ATOM 459 CA LYS A 63 24.133 15.452 -21.668 1.00 67.70 C +ATOM 460 C LYS A 63 23.889 13.952 -21.486 1.00 65.60 C +ATOM 461 O LYS A 63 24.865 13.247 -21.193 1.00 65.70 O +ATOM 462 CB LYS A 63 23.899 16.250 -20.381 1.00 67.47 C +ATOM 463 CG LYS A 63 24.885 15.956 -19.263 1.00 68.67 C +ATOM 464 CD LYS A 63 26.321 16.362 -19.579 1.00 72.23 C +ATOM 465 CE LYS A 63 27.325 15.571 -18.775 1.00 73.94 C +ATOM 466 NZ LYS A 63 26.849 15.394 -17.380 1.00 72.41 N +ATOM 467 N LEU A 64 22.640 13.486 -21.637 1.00 60.84 N +ATOM 468 CA LEU A 64 22.204 12.125 -21.203 1.00 58.55 C +ATOM 469 C LEU A 64 21.672 11.266 -22.368 1.00 58.65 C +ATOM 470 O LEU A 64 21.243 10.141 -22.073 1.00 59.20 O +ATOM 471 CB LEU A 64 21.111 12.283 -20.139 1.00 53.87 C +ATOM 472 CG LEU A 64 21.493 13.038 -18.858 1.00 53.36 C +ATOM 473 CD1 LEU A 64 20.275 13.213 -17.937 1.00 50.27 C +ATOM 474 CD2 LEU A 64 22.628 12.323 -18.124 1.00 56.59 C +ATOM 475 N ARG A 65 21.610 11.773 -23.606 1.00 61.32 N +ATOM 476 CA ARG A 65 21.243 10.995 -24.840 1.00 64.99 C +ATOM 477 C ARG A 65 19.726 11.030 -25.052 1.00 62.02 C +ATOM 478 O ARG A 65 19.293 11.408 -26.155 1.00 63.07 O +ATOM 479 CB ARG A 65 21.688 9.526 -24.777 1.00 68.23 C +ATOM 480 CG ARG A 65 21.444 8.731 -26.057 1.00 74.19 C +ATOM 481 CD ARG A 65 22.350 7.514 -26.193 1.00 77.95 C +ATOM 482 NE ARG A 65 23.235 7.542 -27.355 1.00 84.17 N +ATOM 483 CZ ARG A 65 24.355 6.832 -27.477 1.00 88.69 C +ATOM 484 NH1 ARG A 65 24.760 6.046 -26.493 1.00 89.67 N +ATOM 485 NH2 ARG A 65 25.080 6.916 -28.579 1.00 93.89 N +ATOM 486 N TYR A 66 18.965 10.662 -24.011 1.00 57.24 N +ATOM 487 CA TYR A 66 17.484 10.635 -23.989 1.00 52.55 C +ATOM 488 C TYR A 66 16.955 11.494 -22.821 1.00 47.84 C +ATOM 489 O TYR A 66 17.361 11.293 -21.645 1.00 43.19 O +ATOM 490 CB TYR A 66 16.989 9.195 -23.862 1.00 53.25 C +ATOM 491 CG TYR A 66 15.545 9.075 -23.416 1.00 53.44 C +ATOM 492 CD1 TYR A 66 14.504 9.292 -24.309 1.00 53.35 C +ATOM 493 CD2 TYR A 66 15.221 8.734 -22.108 1.00 52.37 C +ATOM 494 CE1 TYR A 66 13.177 9.175 -23.916 1.00 52.59 C +ATOM 495 CE2 TYR A 66 13.904 8.605 -21.701 1.00 50.96 C +ATOM 496 CZ TYR A 66 12.881 8.824 -22.609 1.00 52.25 C +ATOM 497 OH TYR A 66 11.581 8.708 -22.211 1.00 52.85 O +ATOM 498 N ALA A 67 16.064 12.428 -23.139 1.00 45.56 N +ATOM 499 CA ALA A 67 15.263 13.174 -22.148 1.00 41.74 C +ATOM 500 C ALA A 67 13.962 13.619 -22.806 1.00 40.98 C +ATOM 501 O ALA A 67 14.008 14.065 -23.959 1.00 42.49 O +ATOM 502 CB ALA A 67 16.017 14.370 -21.629 1.00 42.75 C +ATOM 503 N GLU A 68 12.844 13.498 -22.104 1.00 38.18 N +ATOM 504 CA GLU A 68 11.553 13.999 -22.633 1.00 38.11 C +ATOM 505 C GLU A 68 10.613 14.282 -21.475 1.00 34.49 C +ATOM 506 O GLU A 68 10.716 13.605 -20.415 1.00 34.43 O +ATOM 507 CB GLU A 68 10.938 13.025 -23.651 1.00 41.76 C +ATOM 508 CG GLU A 68 10.236 11.851 -22.993 1.00 43.86 C +ATOM 509 CD GLU A 68 9.559 10.883 -23.942 1.00 47.28 C +ATOM 510 OE1 GLU A 68 9.723 9.678 -23.723 1.00 50.06 O +ATOM 511 OE2 GLU A 68 8.851 11.339 -24.835 1.00 49.41 O +ATOM 512 N ILE A 69 9.693 15.221 -21.701 1.00 33.67 N +ATOM 513 CA ILE A 69 8.667 15.565 -20.706 1.00 32.42 C +ATOM 514 C ILE A 69 7.724 14.372 -20.630 1.00 31.09 C +ATOM 515 O ILE A 69 7.303 13.900 -21.713 1.00 29.54 O +ATOM 516 CB ILE A 69 7.938 16.851 -21.108 1.00 35.05 C +ATOM 517 CG1 ILE A 69 8.892 18.051 -21.185 1.00 39.53 C +ATOM 518 CG2 ILE A 69 6.854 17.065 -20.119 1.00 31.42 C +ATOM 519 CD1 ILE A 69 8.401 19.183 -22.084 1.00 41.78 C +ATOM 520 N VAL A 70 7.367 13.951 -19.432 1.00 29.70 N +ATOM 521 CA VAL A 70 6.403 12.822 -19.259 1.00 30.69 C +ATOM 522 C VAL A 70 5.258 13.177 -18.314 1.00 28.28 C +ATOM 523 O VAL A 70 4.334 12.397 -18.318 1.00 31.59 O +ATOM 524 CB VAL A 70 7.110 11.530 -18.793 1.00 31.30 C +ATOM 525 CG1 VAL A 70 8.048 11.031 -19.872 1.00 33.96 C +ATOM 526 CG2 VAL A 70 7.828 11.703 -17.455 1.00 31.94 C +ATOM 527 N LYS A 71 5.292 14.292 -17.584 1.00 27.41 N +ATOM 528 CA LYS A 71 4.173 14.709 -16.725 1.00 26.57 C +ATOM 529 C LYS A 71 4.191 16.218 -16.543 1.00 28.40 C +ATOM 530 O LYS A 71 5.251 16.807 -16.357 1.00 29.12 O +ATOM 531 CB LYS A 71 4.201 14.023 -15.370 1.00 26.79 C +ATOM 532 CG LYS A 71 3.015 14.327 -14.436 1.00 27.46 C +ATOM 533 CD LYS A 71 2.957 13.455 -13.214 1.00 28.28 C +ATOM 534 CE LYS A 71 1.942 13.821 -12.157 1.00 29.30 C +ATOM 535 NZ LYS A 71 2.385 14.996 -11.367 1.00 29.87 N +ATOM 536 N VAL A 72 3.004 16.778 -16.605 1.00 26.41 N +ATOM 537 CA VAL A 72 2.784 18.214 -16.328 1.00 26.05 C +ATOM 538 C VAL A 72 1.594 18.295 -15.392 1.00 27.50 C +ATOM 539 O VAL A 72 0.492 17.854 -15.757 1.00 28.51 O +ATOM 540 CB VAL A 72 2.577 18.999 -17.634 1.00 27.84 C +ATOM 541 CG1 VAL A 72 2.414 20.493 -17.369 1.00 29.20 C +ATOM 542 CG2 VAL A 72 3.711 18.746 -18.620 1.00 28.86 C +ATOM 543 N GLU A 73 1.791 18.930 -14.242 1.00 27.98 N +ATOM 544 CA GLU A 73 0.694 19.224 -13.320 1.00 29.81 C +ATOM 545 C GLU A 73 0.826 20.681 -12.872 1.00 31.80 C +ATOM 546 O GLU A 73 1.923 21.082 -12.425 1.00 31.72 O +ATOM 547 CB GLU A 73 0.756 18.233 -12.159 1.00 28.31 C +ATOM 548 CG GLU A 73 -0.402 18.377 -11.174 1.00 29.20 C +ATOM 549 CD GLU A 73 -0.466 17.305 -10.075 1.00 29.52 C +ATOM 550 OE1 GLU A 73 -1.454 17.260 -9.297 1.00 31.53 O +ATOM 551 OE2 GLU A 73 0.477 16.512 -9.981 1.00 31.54 O +ATOM 552 N GLU A 74 -0.264 21.415 -12.946 1.00 32.55 N +ATOM 553 CA GLU A 74 -0.269 22.822 -12.462 1.00 35.68 C +ATOM 554 C GLU A 74 -0.188 22.769 -10.938 1.00 33.81 C +ATOM 555 O GLU A 74 -0.733 21.831 -10.346 1.00 33.11 O +ATOM 556 CB GLU A 74 -1.513 23.549 -12.965 1.00 39.51 C +ATOM 557 CG GLU A 74 -1.616 23.630 -14.489 1.00 47.28 C +ATOM 558 CD GLU A 74 -0.467 24.313 -15.241 1.00 52.57 C +ATOM 559 OE1 GLU A 74 -0.098 25.428 -14.838 1.00 48.60 O +ATOM 560 OE2 GLU A 74 0.127 23.678 -16.187 1.00 55.28 O +ATOM 561 N VAL A 75 0.527 23.683 -10.286 1.00 35.76 N +ATOM 562 CA VAL A 75 0.488 23.739 -8.795 1.00 36.16 C +ATOM 563 C VAL A 75 -0.893 24.244 -8.388 1.00 39.16 C +ATOM 564 O VAL A 75 -1.364 25.255 -8.965 1.00 40.09 O +ATOM 565 CB VAL A 75 1.598 24.625 -8.220 1.00 37.19 C +ATOM 566 CG1 VAL A 75 1.454 24.823 -6.707 1.00 38.34 C +ATOM 567 CG2 VAL A 75 2.961 24.096 -8.599 1.00 36.13 C +ATOM 568 N LYS A 76 -1.496 23.598 -7.400 1.00 41.46 N +ATOM 569 CA LYS A 76 -2.837 23.963 -6.864 1.00 44.87 C +ATOM 570 C LYS A 76 -2.605 24.808 -5.615 1.00 48.70 C +ATOM 571 O LYS A 76 -2.030 24.280 -4.641 1.00 50.93 O +ATOM 572 CB LYS A 76 -3.601 22.669 -6.557 1.00 43.82 C +ATOM 573 CG LYS A 76 -5.092 22.835 -6.451 1.00 47.32 C +ATOM 574 CD LYS A 76 -5.740 21.653 -5.825 1.00 47.33 C +ATOM 575 CE LYS A 76 -7.166 21.951 -5.432 1.00 51.77 C +ATOM 576 NZ LYS A 76 -7.758 20.767 -4.772 1.00 54.12 N +ATOM 577 N ASP A 77 -2.897 26.096 -5.690 1.00 53.48 N +ATOM 578 CA ASP A 77 -2.538 27.059 -4.618 1.00 61.28 C +ATOM 579 C ASP A 77 -3.323 26.721 -3.344 1.00 67.34 C +ATOM 580 O ASP A 77 -4.477 26.291 -3.471 1.00 69.47 O +ATOM 581 CB ASP A 77 -2.755 28.496 -5.099 1.00 66.16 C +ATOM 582 CG ASP A 77 -1.678 28.980 -6.069 1.00 67.33 C +ATOM 583 OD1 ASP A 77 -0.800 28.164 -6.470 1.00 64.72 O +ATOM 584 OD2 ASP A 77 -1.709 30.183 -6.403 1.00 75.07 O +ATOM 585 N LYS A 78 -2.676 26.874 -2.178 1.00 71.82 N +ATOM 586 CA LYS A 78 -3.289 26.920 -0.823 1.00 77.49 C +ATOM 587 C LYS A 78 -3.681 25.505 -0.388 1.00 78.15 C +ATOM 588 O LYS A 78 -4.574 25.397 0.449 1.00 81.49 O +ATOM 589 CB LYS A 78 -4.499 27.861 -0.817 1.00 80.66 C +ATOM 590 CG LYS A 78 -4.283 29.206 -1.508 1.00 83.05 C +ATOM 591 CD LYS A 78 -5.503 29.740 -2.247 1.00 85.09 C +ATOM 592 CE LYS A 78 -6.798 29.591 -1.472 1.00 88.87 C +ATOM 593 NZ LYS A 78 -6.645 29.902 -0.028 1.00 89.95 N +ATOM 595 N ASN B 23 -16.813 -0.652 -9.361 1.00 96.18 N +ATOM 596 CA ASN B 23 -15.508 -0.398 -8.682 1.00 93.83 C +ATOM 597 C ASN B 23 -14.381 -1.094 -9.469 1.00 92.77 C +ATOM 598 O ASN B 23 -14.637 -2.163 -10.060 1.00 96.51 O +ATOM 599 CB ASN B 23 -15.576 -0.826 -7.212 1.00 95.41 C +ATOM 600 CG ASN B 23 -14.416 -0.313 -6.384 1.00 92.70 C +ATOM 601 OD1 ASN B 23 -13.600 -1.099 -5.909 1.00 90.65 O +ATOM 602 ND2 ASN B 23 -14.329 0.997 -6.204 1.00 90.71 N +ATOM 603 N GLU B 24 -13.185 -0.491 -9.487 1.00 90.31 N +ATOM 604 CA GLU B 24 -11.993 -0.947 -10.256 1.00 86.42 C +ATOM 605 C GLU B 24 -10.817 -1.243 -9.302 1.00 82.04 C +ATOM 606 O GLU B 24 -9.865 -1.893 -9.767 1.00 83.26 O +ATOM 607 CB GLU B 24 -11.669 0.089 -11.342 1.00 87.31 C +ATOM 608 CG GLU B 24 -10.867 1.304 -10.874 1.00 87.93 C +ATOM 609 CD GLU B 24 -11.498 2.249 -9.855 1.00 88.20 C +ATOM 610 OE1 GLU B 24 -12.668 2.036 -9.487 1.00 91.33 O +ATOM 611 OE2 GLU B 24 -10.808 3.197 -9.416 1.00 86.79 O +ATOM 612 N TYR B 25 -10.861 -0.767 -8.044 1.00 76.43 N +ATOM 613 CA TYR B 25 -10.026 -1.239 -6.897 1.00 76.06 C +ATOM 614 C TYR B 25 -10.383 -2.697 -6.580 1.00 80.09 C +ATOM 615 O TYR B 25 -9.478 -3.520 -6.400 1.00 79.43 O +ATOM 616 CB TYR B 25 -10.256 -0.428 -5.614 1.00 76.13 C +ATOM 617 CG TYR B 25 -9.848 1.024 -5.680 1.00 71.89 C +ATOM 618 CD1 TYR B 25 -8.513 1.391 -5.694 1.00 70.76 C +ATOM 619 CD2 TYR B 25 -10.796 2.037 -5.719 1.00 72.27 C +ATOM 620 CE1 TYR B 25 -8.124 2.724 -5.772 1.00 66.27 C +ATOM 621 CE2 TYR B 25 -10.428 3.374 -5.794 1.00 69.90 C +ATOM 622 CZ TYR B 25 -9.084 3.723 -5.829 1.00 65.05 C +ATOM 623 OH TYR B 25 -8.706 5.036 -5.888 1.00 56.23 O +ATOM 624 N LEU B 26 -11.685 -2.975 -6.476 1.00 81.01 N +ATOM 625 CA LEU B 26 -12.277 -4.337 -6.398 1.00 86.50 C +ATOM 626 C LEU B 26 -11.602 -5.249 -7.440 1.00 83.91 C +ATOM 627 O LEU B 26 -11.146 -6.342 -7.060 1.00 83.64 O +ATOM 628 CB LEU B 26 -13.789 -4.203 -6.631 1.00 90.31 C +ATOM 629 CG LEU B 26 -14.610 -5.486 -6.557 1.00 95.58 C +ATOM 630 CD1 LEU B 26 -14.459 -6.146 -5.194 1.00100.27 C +ATOM 631 CD2 LEU B 26 -16.079 -5.204 -6.868 1.00 97.23 C +ATOM 632 N ASP B 27 -11.507 -4.806 -8.698 1.00 79.17 N +ATOM 633 CA ASP B 27 -10.923 -5.602 -9.812 1.00 77.84 C +ATOM 634 C ASP B 27 -9.402 -5.746 -9.634 1.00 75.06 C +ATOM 635 O ASP B 27 -8.859 -6.845 -9.864 1.00 74.05 O +ATOM 636 CB ASP B 27 -11.231 -4.962 -11.165 1.00 78.94 C +ATOM 637 CG ASP B 27 -10.750 -5.823 -12.318 1.00 80.47 C +ATOM 638 OD1 ASP B 27 -11.481 -6.758 -12.686 1.00 86.97 O +ATOM 639 OD2 ASP B 27 -9.623 -5.584 -12.794 1.00 79.75 O +ATOM 640 N ALA B 28 -8.713 -4.664 -9.267 1.00 68.04 N +ATOM 641 CA ALA B 28 -7.249 -4.683 -9.038 1.00 67.65 C +ATOM 642 C ALA B 28 -6.948 -5.763 -7.999 1.00 69.18 C +ATOM 643 O ALA B 28 -6.042 -6.585 -8.241 1.00 67.34 O +ATOM 644 CB ALA B 28 -6.758 -3.323 -8.594 1.00 64.26 C +ATOM 645 N LYS B 29 -7.751 -5.773 -6.931 1.00 72.49 N +ATOM 646 CA LYS B 29 -7.610 -6.655 -5.748 1.00 77.94 C +ATOM 647 C LYS B 29 -7.709 -8.123 -6.174 1.00 80.92 C +ATOM 648 O LYS B 29 -7.136 -8.955 -5.444 1.00 81.26 O +ATOM 649 CB LYS B 29 -8.667 -6.330 -4.688 1.00 81.48 C +ATOM 650 CG LYS B 29 -8.299 -6.769 -3.273 1.00 85.26 C +ATOM 651 CD LYS B 29 -7.147 -5.942 -2.718 1.00 83.12 C +ATOM 652 CE LYS B 29 -6.851 -6.227 -1.265 1.00 86.07 C +ATOM 653 NZ LYS B 29 -5.839 -7.300 -1.108 1.00 88.64 N +ATOM 654 N LYS B 30 -8.393 -8.415 -7.293 1.00 82.70 N +ATOM 655 CA LYS B 30 -8.508 -9.784 -7.880 1.00 88.85 C +ATOM 656 C LYS B 30 -7.142 -10.210 -8.427 1.00 86.50 C +ATOM 657 O LYS B 30 -6.835 -11.416 -8.372 1.00 86.76 O +ATOM 658 CB LYS B 30 -9.548 -9.852 -9.006 1.00 91.89 C +ATOM 659 CG LYS B 30 -10.906 -10.433 -8.622 1.00 97.86 C +ATOM 660 CD LYS B 30 -11.943 -10.399 -9.744 1.00100.41 C +ATOM 661 CE LYS B 30 -11.351 -10.516 -11.138 1.00100.23 C +ATOM 662 NZ LYS B 30 -12.398 -10.651 -12.178 1.00101.40 N +ATOM 663 N HIS B 31 -6.367 -9.250 -8.931 1.00 79.54 N +ATOM 664 CA HIS B 31 -5.023 -9.473 -9.520 1.00 79.25 C +ATOM 665 C HIS B 31 -3.929 -9.228 -8.469 1.00 77.80 C +ATOM 666 O HIS B 31 -2.752 -9.287 -8.851 1.00 76.50 O +ATOM 667 CB HIS B 31 -4.869 -8.622 -10.783 1.00 78.00 C +ATOM 668 CG HIS B 31 -5.803 -9.033 -11.866 1.00 80.49 C +ATOM 669 ND1 HIS B 31 -5.465 -9.986 -12.808 1.00 83.61 N +ATOM 670 CD2 HIS B 31 -7.062 -8.645 -12.152 1.00 81.65 C +ATOM 671 CE1 HIS B 31 -6.473 -10.165 -13.636 1.00 84.59 C +ATOM 672 NE2 HIS B 31 -7.467 -9.355 -13.253 1.00 84.61 N +ATOM 673 N GLY B 32 -4.301 -9.006 -7.199 1.00 77.43 N +ATOM 674 CA GLY B 32 -3.385 -8.988 -6.038 1.00 76.81 C +ATOM 675 C GLY B 32 -2.868 -7.589 -5.734 1.00 73.49 C +ATOM 676 O GLY B 32 -1.978 -7.442 -4.875 1.00 73.09 O +ATOM 677 N ILE B 33 -3.402 -6.568 -6.403 1.00 67.87 N +ATOM 678 CA ILE B 33 -2.990 -5.170 -6.141 1.00 62.57 C +ATOM 679 C ILE B 33 -3.712 -4.654 -4.886 1.00 62.69 C +ATOM 680 O ILE B 33 -4.962 -4.602 -4.862 1.00 64.19 O +ATOM 681 CB ILE B 33 -3.260 -4.322 -7.397 1.00 59.70 C +ATOM 682 CG1 ILE B 33 -2.388 -4.784 -8.569 1.00 58.94 C +ATOM 683 CG2 ILE B 33 -3.079 -2.848 -7.086 1.00 56.81 C +ATOM 684 CD1 ILE B 33 -2.992 -4.508 -9.921 1.00 58.40 C +ATOM 685 N ASP B 34 -2.945 -4.251 -3.880 1.00 64.27 N +ATOM 686 CA ASP B 34 -3.455 -3.507 -2.701 1.00 66.47 C +ATOM 687 C ASP B 34 -2.584 -2.266 -2.512 1.00 64.18 C +ATOM 688 O ASP B 34 -1.422 -2.421 -2.066 1.00 69.04 O +ATOM 689 CB ASP B 34 -3.447 -4.341 -1.421 1.00 68.59 C +ATOM 690 CG ASP B 34 -4.267 -3.721 -0.306 1.00 70.43 C +ATOM 691 OD1 ASP B 34 -5.044 -4.441 0.310 1.00 79.61 O +ATOM 692 OD2 ASP B 34 -4.113 -2.531 -0.046 1.00 70.92 O +ATOM 693 N LEU B 35 -3.153 -1.095 -2.799 1.00 62.21 N +ATOM 694 CA LEU B 35 -2.469 0.220 -2.698 1.00 57.80 C +ATOM 695 C LEU B 35 -2.028 0.498 -1.257 1.00 61.08 C +ATOM 696 O LEU B 35 -1.058 1.248 -1.083 1.00 58.37 O +ATOM 697 CB LEU B 35 -3.409 1.342 -3.154 1.00 58.67 C +ATOM 698 CG LEU B 35 -3.825 1.364 -4.630 1.00 54.78 C +ATOM 699 CD1 LEU B 35 -3.917 2.795 -5.128 1.00 53.54 C +ATOM 700 CD2 LEU B 35 -2.878 0.564 -5.501 1.00 54.90 C +ATOM 701 N SER B 36 -2.756 -0.010 -0.256 1.00 68.74 N +ATOM 702 CA SER B 36 -2.459 0.224 1.180 1.00 70.04 C +ATOM 703 C SER B 36 -1.162 -0.504 1.544 1.00 71.06 C +ATOM 704 O SER B 36 -0.585 -0.145 2.582 1.00 72.25 O +ATOM 705 CB SER B 36 -3.608 -0.188 2.091 1.00 76.51 C +ATOM 706 OG SER B 36 -4.668 0.760 2.044 1.00 73.56 O +ATOM 707 N ARG B 37 -0.721 -1.475 0.733 1.00 69.70 N +ATOM 708 CA ARG B 37 0.544 -2.210 0.981 1.00 72.02 C +ATOM 709 C ARG B 37 1.513 -2.106 -0.218 1.00 67.65 C +ATOM 710 O ARG B 37 2.434 -2.926 -0.293 1.00 69.15 O +ATOM 711 CB ARG B 37 0.152 -3.629 1.394 1.00 82.96 C +ATOM 712 CG ARG B 37 -0.498 -3.704 2.772 1.00 89.49 C +ATOM 713 CD ARG B 37 -0.780 -5.129 3.210 1.00 99.43 C +ATOM 714 NE ARG B 37 -1.799 -5.733 2.351 1.00105.57 N +ATOM 715 CZ ARG B 37 -1.579 -6.451 1.240 1.00108.34 C +ATOM 716 NH1 ARG B 37 -2.605 -6.926 0.549 1.00109.40 N +ATOM 717 NH2 ARG B 37 -0.350 -6.707 0.820 1.00108.45 N +ATOM 718 N GLU B 38 1.357 -1.127 -1.125 1.00 59.17 N +ATOM 719 CA GLU B 38 2.390 -0.815 -2.158 1.00 56.76 C +ATOM 720 C GLU B 38 3.525 -0.001 -1.513 1.00 53.69 C +ATOM 721 O GLU B 38 3.219 0.804 -0.623 1.00 51.53 O +ATOM 722 CB GLU B 38 1.794 -0.009 -3.322 1.00 53.11 C +ATOM 723 CG GLU B 38 1.042 -0.876 -4.332 1.00 53.10 C +ATOM 724 CD GLU B 38 1.927 -1.632 -5.306 1.00 53.94 C +ATOM 725 OE1 GLU B 38 3.154 -1.452 -5.227 1.00 50.50 O +ATOM 726 OE2 GLU B 38 1.392 -2.394 -6.153 1.00 57.77 O +ATOM 727 N ARG B 39 4.769 -0.165 -1.958 1.00 53.11 N +ATOM 728 CA ARG B 39 5.887 0.685 -1.453 1.00 55.29 C +ATOM 729 C ARG B 39 5.645 2.093 -1.994 1.00 49.59 C +ATOM 730 O ARG B 39 5.205 2.209 -3.137 1.00 42.76 O +ATOM 731 CB ARG B 39 7.280 0.121 -1.779 1.00 60.51 C +ATOM 732 CG ARG B 39 7.797 0.351 -3.191 1.00 63.69 C +ATOM 733 CD ARG B 39 9.086 -0.400 -3.522 1.00 71.44 C +ATOM 734 NE ARG B 39 9.618 -0.118 -4.863 1.00 73.43 N +ATOM 735 CZ ARG B 39 9.184 -0.659 -6.016 1.00 77.18 C +ATOM 736 NH1 ARG B 39 8.183 -1.525 -6.034 1.00 79.47 N +ATOM 737 NH2 ARG B 39 9.743 -0.311 -7.165 1.00 76.01 N +ATOM 738 N ALA B 40 5.840 3.098 -1.148 1.00 46.52 N +ATOM 739 CA ALA B 40 5.629 4.514 -1.502 1.00 45.84 C +ATOM 740 C ALA B 40 6.446 4.844 -2.753 1.00 42.94 C +ATOM 741 O ALA B 40 7.524 4.284 -2.993 1.00 43.63 O +ATOM 742 CB ALA B 40 5.990 5.401 -0.332 1.00 46.56 C +ATOM 743 N PRO B 41 5.948 5.776 -3.591 1.00 41.91 N +ATOM 744 CA PRO B 41 6.730 6.287 -4.711 1.00 39.21 C +ATOM 745 C PRO B 41 7.967 7.054 -4.231 1.00 39.61 C +ATOM 746 O PRO B 41 7.989 7.498 -3.089 1.00 37.85 O +ATOM 747 CB PRO B 41 5.826 7.307 -5.378 1.00 37.49 C +ATOM 748 CG PRO B 41 4.781 7.654 -4.331 1.00 39.56 C +ATOM 749 CD PRO B 41 4.648 6.445 -3.444 1.00 39.71 C +ATOM 750 N ASN B 42 8.900 7.276 -5.140 1.00 37.91 N +ATOM 751 CA ASN B 42 10.043 8.193 -4.939 1.00 37.55 C +ATOM 752 C ASN B 42 9.559 9.580 -5.356 1.00 36.99 C +ATOM 753 O ASN B 42 9.068 9.702 -6.483 1.00 35.01 O +ATOM 754 CB ASN B 42 11.231 7.789 -5.787 1.00 37.61 C +ATOM 755 CG ASN B 42 11.812 6.463 -5.363 1.00 42.41 C +ATOM 756 OD1 ASN B 42 11.954 6.214 -4.172 1.00 41.64 O +ATOM 757 ND2 ASN B 42 12.137 5.608 -6.319 1.00 42.70 N +ATOM 758 N PHE B 43 9.671 10.559 -4.485 1.00 37.94 N +ATOM 759 CA PHE B 43 9.256 11.942 -4.820 1.00 35.90 C +ATOM 760 C PHE B 43 9.928 12.902 -3.852 1.00 36.85 C +ATOM 761 O PHE B 43 10.529 12.443 -2.905 1.00 37.75 O +ATOM 762 CB PHE B 43 7.738 12.056 -4.746 1.00 36.29 C +ATOM 763 CG PHE B 43 7.152 11.925 -3.366 1.00 35.92 C +ATOM 764 CD1 PHE B 43 6.920 10.671 -2.805 1.00 38.69 C +ATOM 765 CD2 PHE B 43 6.810 13.054 -2.635 1.00 38.25 C +ATOM 766 CE1 PHE B 43 6.355 10.554 -1.544 1.00 39.19 C +ATOM 767 CE2 PHE B 43 6.273 12.941 -1.356 1.00 37.56 C +ATOM 768 CZ PHE B 43 6.045 11.687 -0.819 1.00 40.42 C +ATOM 769 N VAL B 44 9.788 14.209 -4.077 1.00 38.00 N +ATOM 770 CA VAL B 44 10.199 15.217 -3.070 1.00 39.48 C +ATOM 771 C VAL B 44 8.986 16.106 -2.857 1.00 36.90 C +ATOM 772 O VAL B 44 8.192 16.273 -3.806 1.00 41.24 O +ATOM 773 CB VAL B 44 11.432 16.049 -3.478 1.00 42.82 C +ATOM 774 CG1 VAL B 44 12.677 15.183 -3.728 1.00 41.10 C +ATOM 775 CG2 VAL B 44 11.087 16.903 -4.694 1.00 43.03 C +ATOM 776 N ASP B 45 8.846 16.576 -1.634 1.00 38.57 N +ATOM 777 CA ASP B 45 7.997 17.740 -1.301 1.00 38.95 C +ATOM 778 C ASP B 45 8.842 18.972 -1.600 1.00 38.35 C +ATOM 779 O ASP B 45 9.766 19.289 -0.855 1.00 38.32 O +ATOM 780 CB ASP B 45 7.479 17.720 0.136 1.00 40.80 C +ATOM 781 CG ASP B 45 6.539 16.560 0.428 1.00 40.12 C +ATOM 782 OD1 ASP B 45 5.761 16.179 -0.467 1.00 41.03 O +ATOM 783 OD2 ASP B 45 6.620 16.024 1.528 1.00 44.61 O +ATOM 784 N HIS B 46 8.488 19.659 -2.657 1.00 35.02 N +ATOM 785 CA HIS B 46 9.202 20.884 -3.086 1.00 36.13 C +ATOM 786 C HIS B 46 8.939 22.001 -2.091 1.00 38.47 C +ATOM 787 O HIS B 46 7.823 22.191 -1.644 1.00 36.86 O +ATOM 788 CB HIS B 46 8.751 21.292 -4.481 1.00 34.19 C +ATOM 789 CG HIS B 46 9.024 20.247 -5.504 1.00 31.58 C +ATOM 790 ND1 HIS B 46 10.189 20.233 -6.224 1.00 32.75 N +ATOM 791 CD2 HIS B 46 8.274 19.229 -5.992 1.00 31.06 C +ATOM 792 CE1 HIS B 46 10.164 19.222 -7.076 1.00 32.01 C +ATOM 793 NE2 HIS B 46 9.007 18.594 -6.957 1.00 31.47 N +ATOM 794 N PRO B 47 9.954 22.814 -1.795 1.00 41.89 N +ATOM 795 CA PRO B 47 9.755 24.014 -0.986 1.00 44.24 C +ATOM 796 C PRO B 47 8.846 25.035 -1.695 1.00 44.39 C +ATOM 797 O PRO B 47 8.899 25.126 -2.907 1.00 43.96 O +ATOM 798 CB PRO B 47 11.183 24.525 -0.798 1.00 45.78 C +ATOM 799 CG PRO B 47 11.919 24.048 -2.012 1.00 46.58 C +ATOM 800 CD PRO B 47 11.333 22.676 -2.312 1.00 43.06 C +ATOM 801 N GLY B 48 8.001 25.728 -0.927 1.00 46.62 N +ATOM 802 CA GLY B 48 7.222 26.903 -1.375 1.00 48.24 C +ATOM 803 C GLY B 48 5.889 26.543 -2.019 1.00 46.42 C +ATOM 804 O GLY B 48 5.148 27.463 -2.385 1.00 47.67 O +ATOM 805 N ILE B 49 5.552 25.257 -2.145 1.00 44.01 N +ATOM 806 CA ILE B 49 4.241 24.833 -2.697 1.00 42.12 C +ATOM 807 C ILE B 49 3.621 23.812 -1.745 1.00 42.43 C +ATOM 808 O ILE B 49 4.323 23.181 -0.971 1.00 41.79 O +ATOM 809 CB ILE B 49 4.410 24.269 -4.114 1.00 40.96 C +ATOM 810 CG1 ILE B 49 5.157 22.933 -4.095 1.00 39.50 C +ATOM 811 CG2 ILE B 49 5.083 25.277 -5.030 1.00 41.62 C +ATOM 812 CD1 ILE B 49 5.175 22.223 -5.441 1.00 37.07 C +ATOM 813 N PRO B 50 2.293 23.620 -1.765 1.00 42.96 N +ATOM 814 CA PRO B 50 1.659 22.610 -0.919 1.00 43.40 C +ATOM 815 C PRO B 50 2.158 21.218 -1.299 1.00 40.65 C +ATOM 816 O PRO B 50 2.322 20.914 -2.480 1.00 37.50 O +ATOM 817 CB PRO B 50 0.156 22.747 -1.231 1.00 45.25 C +ATOM 818 CG PRO B 50 0.034 24.170 -1.762 1.00 46.98 C +ATOM 819 CD PRO B 50 1.313 24.399 -2.535 1.00 45.19 C +ATOM 820 N PRO B 51 2.467 20.340 -0.327 1.00 39.89 N +ATOM 821 CA PRO B 51 2.719 18.939 -0.644 1.00 39.72 C +ATOM 822 C PRO B 51 1.535 18.273 -1.351 1.00 38.12 C +ATOM 823 O PRO B 51 0.418 18.513 -0.990 1.00 36.38 O +ATOM 824 CB PRO B 51 2.980 18.265 0.714 1.00 41.64 C +ATOM 825 CG PRO B 51 2.537 19.286 1.744 1.00 47.99 C +ATOM 826 CD PRO B 51 2.735 20.638 1.080 1.00 47.57 C +ATOM 827 N SER B 52 1.835 17.382 -2.288 1.00 34.63 N +ATOM 828 CA SER B 52 0.831 16.551 -2.993 1.00 34.51 C +ATOM 829 C SER B 52 0.280 15.556 -1.961 1.00 35.51 C +ATOM 830 O SER B 52 1.069 15.039 -1.159 1.00 36.78 O +ATOM 831 CB SER B 52 1.436 15.867 -4.203 1.00 34.03 C +ATOM 832 OG SER B 52 1.787 16.796 -5.218 1.00 35.07 O +ATOM 833 N ASP B 53 -1.038 15.345 -1.958 1.00 35.57 N +ATOM 834 CA ASP B 53 -1.745 14.567 -0.917 1.00 38.11 C +ATOM 835 C ASP B 53 -2.189 13.196 -1.451 1.00 39.18 C +ATOM 836 O ASP B 53 -2.733 12.431 -0.639 1.00 42.91 O +ATOM 837 CB ASP B 53 -2.896 15.400 -0.357 1.00 39.37 C +ATOM 838 CG ASP B 53 -3.911 15.907 -1.364 1.00 40.72 C +ATOM 839 OD1 ASP B 53 -3.550 16.189 -2.536 1.00 37.76 O +ATOM 840 OD2 ASP B 53 -5.075 16.025 -0.960 1.00 41.45 O +ATOM 841 N CYS B 54 -1.941 12.900 -2.731 1.00 36.39 N +ATOM 842 CA CYS B 54 -2.336 11.646 -3.413 1.00 37.26 C +ATOM 843 C CYS B 54 -1.114 10.895 -3.943 1.00 35.87 C +ATOM 844 O CYS B 54 -0.139 11.522 -4.446 1.00 31.73 O +ATOM 845 CB CYS B 54 -3.262 11.876 -4.602 1.00 36.15 C +ATOM 846 SG CYS B 54 -4.800 12.735 -4.196 1.00 39.62 S +ATOM 847 N PHE B 55 -1.124 9.579 -3.798 1.00 34.63 N +ATOM 848 CA PHE B 55 -0.166 8.704 -4.501 1.00 35.17 C +ATOM 849 C PHE B 55 -0.923 8.093 -5.677 1.00 34.99 C +ATOM 850 O PHE B 55 -2.162 7.848 -5.540 1.00 37.92 O +ATOM 851 CB PHE B 55 0.357 7.539 -3.664 1.00 38.15 C +ATOM 852 CG PHE B 55 1.297 7.856 -2.529 1.00 39.34 C +ATOM 853 CD1 PHE B 55 2.002 9.047 -2.450 1.00 37.60 C +ATOM 854 CD2 PHE B 55 1.460 6.938 -1.512 1.00 42.20 C +ATOM 855 CE1 PHE B 55 2.859 9.299 -1.393 1.00 38.10 C +ATOM 856 CE2 PHE B 55 2.331 7.182 -0.464 1.00 43.18 C +ATOM 857 CZ PHE B 55 3.022 8.371 -0.400 1.00 38.77 C +ATOM 858 N TRP B 56 -0.228 7.970 -6.803 1.00 33.39 N +ATOM 859 CA TRP B 56 -0.711 7.196 -7.969 1.00 32.72 C +ATOM 860 C TRP B 56 0.283 6.094 -8.270 1.00 33.17 C +ATOM 861 O TRP B 56 1.549 6.274 -8.129 1.00 31.88 O +ATOM 862 CB TRP B 56 -0.966 8.067 -9.210 1.00 32.06 C +ATOM 863 CG TRP B 56 0.229 8.815 -9.707 1.00 29.33 C +ATOM 864 CD1 TRP B 56 0.552 10.130 -9.430 1.00 29.60 C +ATOM 865 CD2 TRP B 56 1.256 8.322 -10.585 1.00 29.53 C +ATOM 866 NE1 TRP B 56 1.713 10.464 -10.056 1.00 28.16 N +ATOM 867 CE2 TRP B 56 2.156 9.389 -10.789 1.00 29.44 C +ATOM 868 CE3 TRP B 56 1.511 7.084 -11.206 1.00 31.66 C +ATOM 869 CZ2 TRP B 56 3.288 9.266 -11.589 1.00 30.46 C +ATOM 870 CZ3 TRP B 56 2.650 6.951 -11.974 1.00 31.62 C +ATOM 871 CH2 TRP B 56 3.530 8.031 -12.151 1.00 32.34 C +ATOM 872 N PHE B 57 -0.287 4.963 -8.667 1.00 34.08 N +ATOM 873 CA PHE B 57 0.448 3.756 -9.063 1.00 34.38 C +ATOM 874 C PHE B 57 0.014 3.333 -10.471 1.00 36.40 C +ATOM 875 O PHE B 57 -1.213 3.274 -10.738 1.00 34.58 O +ATOM 876 CB PHE B 57 0.185 2.706 -7.983 1.00 36.78 C +ATOM 877 CG PHE B 57 0.688 3.100 -6.618 1.00 36.23 C +ATOM 878 CD1 PHE B 57 2.006 2.844 -6.264 1.00 38.29 C +ATOM 879 CD2 PHE B 57 -0.143 3.719 -5.691 1.00 38.63 C +ATOM 880 CE1 PHE B 57 2.480 3.171 -5.001 1.00 38.33 C +ATOM 881 CE2 PHE B 57 0.322 4.011 -4.406 1.00 39.81 C +ATOM 882 CZ PHE B 57 1.641 3.764 -4.079 1.00 39.08 C +ATOM 883 N LEU B 58 0.990 3.055 -11.338 1.00 35.58 N +ATOM 884 CA LEU B 58 0.726 2.794 -12.767 1.00 35.15 C +ATOM 885 C LEU B 58 1.161 1.359 -13.086 1.00 36.81 C +ATOM 886 O LEU B 58 2.329 1.043 -12.878 1.00 38.32 O +ATOM 887 CB LEU B 58 1.467 3.813 -13.618 1.00 32.97 C +ATOM 888 CG LEU B 58 1.353 3.652 -15.130 1.00 32.28 C +ATOM 889 CD1 LEU B 58 -0.086 3.939 -15.591 1.00 33.29 C +ATOM 890 CD2 LEU B 58 2.335 4.544 -15.862 1.00 30.65 C +ATOM 891 N TYR B 59 0.251 0.576 -13.648 1.00 38.37 N +ATOM 892 CA TYR B 59 0.425 -0.878 -13.940 1.00 40.52 C +ATOM 893 C TYR B 59 0.225 -1.130 -15.432 1.00 42.00 C +ATOM 894 O TYR B 59 -0.677 -0.479 -16.037 1.00 38.38 O +ATOM 895 CB TYR B 59 -0.576 -1.698 -13.132 1.00 44.49 C +ATOM 896 CG TYR B 59 -0.527 -1.458 -11.647 1.00 44.98 C +ATOM 897 CD1 TYR B 59 -1.228 -0.410 -11.089 1.00 43.25 C +ATOM 898 CD2 TYR B 59 0.212 -2.274 -10.804 1.00 46.55 C +ATOM 899 CE1 TYR B 59 -1.190 -0.155 -9.734 1.00 45.04 C +ATOM 900 CE2 TYR B 59 0.256 -2.040 -9.439 1.00 46.83 C +ATOM 901 CZ TYR B 59 -0.445 -0.975 -8.904 1.00 47.66 C +ATOM 902 OH TYR B 59 -0.469 -0.694 -7.569 1.00 50.20 O +ATOM 903 N LYS B 60 1.034 -2.009 -16.015 1.00 43.89 N +ATOM 904 CA LYS B 60 0.855 -2.518 -17.393 1.00 45.46 C +ATOM 905 C LYS B 60 0.651 -4.013 -17.290 1.00 49.60 C +ATOM 906 O LYS B 60 1.517 -4.641 -16.641 1.00 49.14 O +ATOM 907 CB LYS B 60 2.083 -2.256 -18.262 1.00 48.39 C +ATOM 908 CG LYS B 60 1.857 -2.519 -19.747 1.00 50.40 C +ATOM 909 CD LYS B 60 3.075 -2.231 -20.591 1.00 53.26 C +ATOM 910 CE LYS B 60 2.781 -2.185 -22.072 1.00 55.71 C +ATOM 911 NZ LYS B 60 2.090 -3.432 -22.473 1.00 62.74 N +ATOM 912 N ASN B 61 -0.440 -4.527 -17.877 1.00 46.94 N +ATOM 913 CA ASN B 61 -0.825 -5.953 -17.727 1.00 52.58 C +ATOM 914 C ASN B 61 -0.705 -6.271 -16.234 1.00 53.86 C +ATOM 915 O ASN B 61 -0.156 -7.335 -15.878 1.00 55.20 O +ATOM 916 CB ASN B 61 0.034 -6.829 -18.640 1.00 54.41 C +ATOM 917 CG ASN B 61 0.066 -6.346 -20.071 1.00 53.61 C +ATOM 918 OD1 ASN B 61 1.087 -6.447 -20.759 1.00 56.05 O +ATOM 919 ND2 ASN B 61 -1.063 -5.849 -20.535 1.00 52.64 N +ATOM 920 N TYR B 62 -1.136 -5.326 -15.390 1.00 53.33 N +ATOM 921 CA TYR B 62 -1.309 -5.502 -13.928 1.00 55.94 C +ATOM 922 C TYR B 62 0.044 -5.529 -13.212 1.00 53.97 C +ATOM 923 O TYR B 62 0.033 -5.863 -12.025 1.00 55.80 O +ATOM 924 CB TYR B 62 -2.104 -6.782 -13.641 1.00 62.66 C +ATOM 925 CG TYR B 62 -3.582 -6.635 -13.908 1.00 67.53 C +ATOM 926 CD1 TYR B 62 -4.368 -5.865 -13.059 1.00 69.00 C +ATOM 927 CD2 TYR B 62 -4.199 -7.241 -14.997 1.00 70.72 C +ATOM 928 CE1 TYR B 62 -5.725 -5.679 -13.289 1.00 70.64 C +ATOM 929 CE2 TYR B 62 -5.560 -7.078 -15.230 1.00 73.58 C +ATOM 930 CZ TYR B 62 -6.324 -6.289 -14.377 1.00 72.34 C +ATOM 931 OH TYR B 62 -7.669 -6.103 -14.558 1.00 74.15 O +ATOM 932 N VAL B 63 1.147 -5.216 -13.901 1.00 51.10 N +ATOM 933 CA VAL B 63 2.503 -5.169 -13.284 1.00 51.38 C +ATOM 934 C VAL B 63 2.863 -3.695 -13.062 1.00 48.44 C +ATOM 935 O VAL B 63 2.753 -2.931 -14.020 1.00 44.59 O +ATOM 936 CB VAL B 63 3.580 -5.891 -14.120 1.00 53.15 C +ATOM 937 CG1 VAL B 63 4.951 -5.848 -13.425 1.00 53.50 C +ATOM 938 CG2 VAL B 63 3.191 -7.348 -14.404 1.00 55.92 C +ATOM 939 N ARG B 64 3.258 -3.337 -11.836 1.00 48.89 N +ATOM 940 CA ARG B 64 3.694 -1.954 -11.480 1.00 46.04 C +ATOM 941 C ARG B 64 4.822 -1.529 -12.414 1.00 44.60 C +ATOM 942 O ARG B 64 5.858 -2.180 -12.422 1.00 44.90 O +ATOM 943 CB ARG B 64 4.197 -1.864 -10.033 1.00 48.32 C +ATOM 944 CG ARG B 64 4.610 -0.445 -9.621 1.00 45.48 C +ATOM 945 CD ARG B 64 4.621 -0.309 -8.104 1.00 47.18 C +ATOM 946 NE ARG B 64 5.349 0.871 -7.640 1.00 46.09 N +ATOM 947 CZ ARG B 64 5.420 1.291 -6.379 1.00 45.89 C +ATOM 948 NH1 ARG B 64 4.786 0.643 -5.413 1.00 48.16 N +ATOM 949 NH2 ARG B 64 6.110 2.396 -6.091 1.00 43.02 N +ATOM 950 N GLN B 65 4.673 -0.390 -13.078 1.00 40.60 N +ATOM 951 CA GLN B 65 5.723 0.200 -13.948 1.00 41.64 C +ATOM 952 C GLN B 65 6.281 1.473 -13.295 1.00 37.98 C +ATOM 953 O GLN B 65 7.416 1.837 -13.599 1.00 37.76 O +ATOM 954 CB GLN B 65 5.145 0.555 -15.319 1.00 41.60 C +ATOM 955 CG GLN B 65 4.474 -0.627 -16.001 1.00 45.69 C +ATOM 956 CD GLN B 65 5.480 -1.731 -16.232 1.00 49.39 C +ATOM 957 OE1 GLN B 65 6.516 -1.502 -16.854 1.00 54.73 O +ATOM 958 NE2 GLN B 65 5.196 -2.919 -15.707 1.00 49.47 N +ATOM 959 N ASP B 66 5.438 2.216 -12.593 1.00 37.49 N +ATOM 960 CA ASP B 66 5.883 3.518 -12.023 1.00 34.92 C +ATOM 961 C ASP B 66 4.884 3.941 -10.955 1.00 34.16 C +ATOM 962 O ASP B 66 3.798 3.364 -10.865 1.00 35.19 O +ATOM 963 CB ASP B 66 6.089 4.573 -13.112 1.00 35.44 C +ATOM 964 CG ASP B 66 6.896 5.776 -12.646 1.00 35.61 C +ATOM 965 OD1 ASP B 66 7.656 5.647 -11.574 1.00 34.18 O +ATOM 966 OD2 ASP B 66 6.880 6.781 -13.377 1.00 35.33 O +ATOM 967 N ALA B 67 5.233 4.978 -10.199 1.00 31.92 N +ATOM 968 CA ALA B 67 4.379 5.557 -9.159 1.00 30.73 C +ATOM 969 C ALA B 67 4.856 6.987 -8.940 1.00 29.64 C +ATOM 970 O ALA B 67 6.033 7.296 -9.279 1.00 31.59 O +ATOM 971 CB ALA B 67 4.474 4.742 -7.881 1.00 33.91 C +ATOM 972 N GLY B 68 3.959 7.808 -8.420 1.00 30.92 N +ATOM 973 CA GLY B 68 4.271 9.217 -8.138 1.00 32.21 C +ATOM 974 C GLY B 68 3.241 9.846 -7.261 1.00 31.73 C +ATOM 975 O GLY B 68 2.473 9.125 -6.563 1.00 32.32 O +ATOM 976 N VAL B 69 3.208 11.175 -7.263 1.00 28.69 N +ATOM 977 CA VAL B 69 2.264 11.897 -6.401 1.00 29.25 C +ATOM 978 C VAL B 69 1.463 12.831 -7.291 1.00 27.96 C +ATOM 979 O VAL B 69 1.926 13.115 -8.400 1.00 26.74 O +ATOM 980 CB VAL B 69 3.029 12.598 -5.257 1.00 29.76 C +ATOM 981 CG1 VAL B 69 3.748 11.528 -4.443 1.00 33.77 C +ATOM 982 CG2 VAL B 69 4.008 13.659 -5.724 1.00 29.17 C +ATOM 983 N CYS B 70 0.310 13.258 -6.813 1.00 32.70 N +ATOM 984 CA CYS B 70 -0.524 14.281 -7.494 1.00 30.11 C +ATOM 985 C CYS B 70 -1.419 14.980 -6.480 1.00 32.84 C +ATOM 986 O CYS B 70 -1.493 14.509 -5.324 1.00 34.23 O +ATOM 987 CB CYS B 70 -1.324 13.628 -8.633 1.00 32.21 C +ATOM 988 SG CYS B 70 -2.411 12.261 -8.107 1.00 33.71 S +ATOM 989 N GLN B 71 -2.087 16.054 -6.889 1.00 33.20 N +ATOM 990 CA GLN B 71 -2.947 16.839 -5.966 1.00 34.15 C +ATOM 991 C GLN B 71 -4.396 16.362 -6.135 1.00 34.57 C +ATOM 992 O GLN B 71 -4.825 16.128 -7.275 1.00 36.05 O +ATOM 993 CB GLN B 71 -2.729 18.337 -6.185 1.00 34.82 C +ATOM 994 CG GLN B 71 -1.248 18.745 -6.129 1.00 34.12 C +ATOM 995 CD GLN B 71 -1.007 20.042 -6.865 1.00 36.83 C +ATOM 996 OE1 GLN B 71 -0.756 21.092 -6.273 1.00 40.17 O +ATOM 997 NE2 GLN B 71 -1.086 19.986 -8.183 1.00 33.60 N +ATOM 998 N SER B 72 -5.081 16.171 -5.007 1.00 37.15 N +ATOM 999 CA SER B 72 -6.514 15.805 -4.961 1.00 37.66 C +ATOM 1000 C SER B 72 -7.359 16.904 -5.605 1.00 38.80 C +ATOM 1001 O SER B 72 -6.962 18.086 -5.577 1.00 38.95 O +ATOM 1002 CB SER B 72 -6.960 15.528 -3.539 1.00 39.01 C +ATOM 1003 OG SER B 72 -6.884 16.722 -2.769 1.00 39.71 O +ATOM 1004 N ASP B 73 -8.526 16.528 -6.126 1.00 39.71 N +ATOM 1005 CA ASP B 73 -9.531 17.470 -6.674 1.00 40.21 C +ATOM 1006 C ASP B 73 -8.818 18.374 -7.668 1.00 39.71 C +ATOM 1007 O ASP B 73 -8.767 19.585 -7.424 1.00 40.95 O +ATOM 1008 CB ASP B 73 -10.233 18.281 -5.570 1.00 44.05 C +ATOM 1009 CG ASP B 73 -11.396 19.114 -6.095 1.00 44.19 C +ATOM 1010 OD1 ASP B 73 -11.927 18.768 -7.163 1.00 46.87 O +ATOM 1011 OD2 ASP B 73 -11.734 20.111 -5.459 1.00 46.89 O +ATOM 1012 N TRP B 74 -8.227 17.777 -8.707 1.00 37.22 N +ATOM 1013 CA TRP B 74 -7.343 18.452 -9.684 1.00 36.40 C +ATOM 1014 C TRP B 74 -7.179 17.520 -10.891 1.00 34.13 C +ATOM 1015 O TRP B 74 -7.927 16.526 -11.029 1.00 34.78 O +ATOM 1016 CB TRP B 74 -6.002 18.779 -9.009 1.00 35.65 C +ATOM 1017 CG TRP B 74 -5.220 19.929 -9.575 1.00 36.60 C +ATOM 1018 CD1 TRP B 74 -3.917 19.915 -9.989 1.00 35.18 C +ATOM 1019 CD2 TRP B 74 -5.650 21.292 -9.690 1.00 39.20 C +ATOM 1020 NE1 TRP B 74 -3.532 21.164 -10.398 1.00 36.92 N +ATOM 1021 CE2 TRP B 74 -4.565 22.029 -10.200 1.00 38.60 C +ATOM 1022 CE3 TRP B 74 -6.839 21.958 -9.384 1.00 43.51 C +ATOM 1023 CZ2 TRP B 74 -4.650 23.396 -10.477 1.00 43.10 C +ATOM 1024 CZ3 TRP B 74 -6.925 23.309 -9.649 1.00 47.32 C +ATOM 1025 CH2 TRP B 74 -5.830 24.022 -10.143 1.00 45.02 C +ATOM 1026 N SER B 75 -6.185 17.767 -11.716 1.00 33.28 N +ATOM 1027 CA SER B 75 -5.873 16.884 -12.849 1.00 32.68 C +ATOM 1028 C SER B 75 -4.406 17.071 -13.207 1.00 32.54 C +ATOM 1029 O SER B 75 -3.795 18.061 -12.777 1.00 31.84 O +ATOM 1030 CB SER B 75 -6.780 17.114 -14.042 1.00 37.81 C +ATOM 1031 OG SER B 75 -6.467 18.346 -14.677 1.00 39.54 O +ATOM 1032 N PHE B 76 -3.888 16.153 -14.001 1.00 28.64 N +ATOM 1033 CA PHE B 76 -2.531 16.251 -14.563 1.00 28.99 C +ATOM 1034 C PHE B 76 -2.493 15.538 -15.894 1.00 28.87 C +ATOM 1035 O PHE B 76 -3.419 14.726 -16.199 1.00 30.89 O +ATOM 1036 CB PHE B 76 -1.487 15.641 -13.628 1.00 28.55 C +ATOM 1037 CG PHE B 76 -1.610 14.174 -13.298 1.00 29.48 C +ATOM 1038 CD1 PHE B 76 -0.960 13.205 -14.061 1.00 31.13 C +ATOM 1039 CD2 PHE B 76 -2.322 13.774 -12.171 1.00 30.19 C +ATOM 1040 CE1 PHE B 76 -0.990 11.875 -13.658 1.00 29.85 C +ATOM 1041 CE2 PHE B 76 -2.438 12.433 -11.850 1.00 28.27 C +ATOM 1042 CZ PHE B 76 -1.768 11.490 -12.597 1.00 27.60 C +ATOM 1043 N ASP B 77 -1.492 15.866 -16.688 1.00 27.56 N +ATOM 1044 CA ASP B 77 -1.267 15.202 -17.980 1.00 29.67 C +ATOM 1045 C ASP B 77 -0.067 14.277 -17.799 1.00 26.33 C +ATOM 1046 O ASP B 77 0.937 14.700 -17.196 1.00 26.15 O +ATOM 1047 CB ASP B 77 -1.079 16.195 -19.144 1.00 28.50 C +ATOM 1048 CG ASP B 77 -2.355 16.852 -19.578 1.00 32.18 C +ATOM 1049 OD1 ASP B 77 -3.389 16.564 -18.939 1.00 33.07 O +ATOM 1050 OD2 ASP B 77 -2.282 17.769 -20.412 1.00 34.16 O +ATOM 1051 N MET B 78 -0.099 13.063 -18.342 1.00 26.64 N +ATOM 1052 CA MET B 78 1.043 12.153 -18.250 1.00 28.86 C +ATOM 1053 C MET B 78 1.188 11.364 -19.538 1.00 30.00 C +ATOM 1054 O MET B 78 0.164 11.043 -20.174 1.00 27.70 O +ATOM 1055 CB MET B 78 0.925 11.188 -17.068 1.00 31.82 C +ATOM 1056 CG MET B 78 2.288 10.567 -16.750 1.00 36.55 C +ATOM 1057 SD MET B 78 2.340 9.863 -15.071 1.00 39.27 S +ATOM 1058 CE MET B 78 0.986 8.732 -15.385 1.00 30.32 C +ATOM 1059 N LYS B 79 2.416 11.043 -19.895 1.00 28.73 N +ATOM 1060 CA LYS B 79 2.706 10.181 -21.035 1.00 32.55 C +ATOM 1061 C LYS B 79 2.772 8.744 -20.521 1.00 33.58 C +ATOM 1062 O LYS B 79 3.607 8.461 -19.653 1.00 34.65 O +ATOM 1063 CB LYS B 79 3.990 10.620 -21.734 1.00 34.76 C +ATOM 1064 CG LYS B 79 4.155 10.009 -23.108 1.00 37.71 C +ATOM 1065 CD LYS B 79 5.268 10.606 -23.936 1.00 39.45 C +ATOM 1066 CE LYS B 79 5.307 9.994 -25.324 1.00 43.64 C +ATOM 1067 NZ LYS B 79 6.530 10.414 -26.032 1.00 44.88 N +ATOM 1068 N ILE B 80 1.894 7.917 -21.061 1.00 33.06 N +ATOM 1069 CA ILE B 80 1.783 6.460 -20.775 1.00 35.79 C +ATOM 1070 C ILE B 80 2.033 5.798 -22.114 1.00 35.64 C +ATOM 1071 O ILE B 80 1.189 5.947 -22.997 1.00 35.50 O +ATOM 1072 CB ILE B 80 0.420 6.120 -20.151 1.00 37.22 C +ATOM 1073 CG1 ILE B 80 0.222 6.920 -18.859 1.00 35.76 C +ATOM 1074 CG2 ILE B 80 0.348 4.621 -19.927 1.00 39.75 C +ATOM 1075 CD1 ILE B 80 -1.192 6.951 -18.275 1.00 35.62 C +ATOM 1076 N GLY B 81 3.190 5.136 -22.254 1.00 40.69 N +ATOM 1077 CA GLY B 81 3.655 4.561 -23.535 1.00 43.97 C +ATOM 1078 C GLY B 81 3.739 5.673 -24.567 1.00 43.04 C +ATOM 1079 O GLY B 81 4.426 6.681 -24.271 1.00 42.33 O +ATOM 1080 N GLN B 82 3.000 5.560 -25.672 1.00 44.50 N +ATOM 1081 CA GLN B 82 3.022 6.530 -26.804 1.00 46.42 C +ATOM 1082 C GLN B 82 2.040 7.679 -26.571 1.00 40.94 C +ATOM 1083 O GLN B 82 1.934 8.558 -27.464 1.00 42.19 O +ATOM 1084 CB GLN B 82 2.627 5.859 -28.128 1.00 55.01 C +ATOM 1085 CG GLN B 82 3.508 4.690 -28.552 1.00 61.82 C +ATOM 1086 CD GLN B 82 4.950 5.101 -28.419 1.00 68.75 C +ATOM 1087 OE1 GLN B 82 5.407 6.048 -29.064 1.00 73.51 O +ATOM 1088 NE2 GLN B 82 5.654 4.442 -27.514 1.00 71.92 N +ATOM 1089 N TYR B 83 1.258 7.618 -25.492 1.00 36.31 N +ATOM 1090 CA TYR B 83 -0.010 8.379 -25.333 1.00 33.90 C +ATOM 1091 C TYR B 83 0.108 9.438 -24.247 1.00 31.23 C +ATOM 1092 O TYR B 83 0.345 9.139 -23.054 1.00 30.63 O +ATOM 1093 CB TYR B 83 -1.173 7.403 -25.070 1.00 33.90 C +ATOM 1094 CG TYR B 83 -1.342 6.449 -26.237 1.00 35.03 C +ATOM 1095 CD1 TYR B 83 -1.875 6.888 -27.434 1.00 36.53 C +ATOM 1096 CD2 TYR B 83 -0.813 5.174 -26.205 1.00 37.60 C +ATOM 1097 CE1 TYR B 83 -1.966 6.063 -28.538 1.00 39.70 C +ATOM 1098 CE2 TYR B 83 -0.934 4.316 -27.294 1.00 39.14 C +ATOM 1099 CZ TYR B 83 -1.468 4.777 -28.471 1.00 39.13 C +ATOM 1100 OH TYR B 83 -1.565 3.994 -29.580 1.00 42.75 O +ATOM 1101 N TRP B 84 -0.156 10.701 -24.621 1.00 30.86 N +ATOM 1102 CA TRP B 84 -0.468 11.740 -23.617 1.00 28.82 C +ATOM 1103 C TRP B 84 -1.904 11.549 -23.158 1.00 28.66 C +ATOM 1104 O TRP B 84 -2.804 11.535 -24.019 1.00 30.63 O +ATOM 1105 CB TRP B 84 -0.224 13.148 -24.214 1.00 30.22 C +ATOM 1106 CG TRP B 84 1.227 13.517 -24.099 1.00 29.08 C +ATOM 1107 CD1 TRP B 84 2.193 13.453 -25.065 1.00 31.36 C +ATOM 1108 CD2 TRP B 84 1.879 13.913 -22.879 1.00 29.89 C +ATOM 1109 NE1 TRP B 84 3.400 13.818 -24.517 1.00 30.89 N +ATOM 1110 CE2 TRP B 84 3.235 14.145 -23.202 1.00 31.07 C +ATOM 1111 CE3 TRP B 84 1.433 14.183 -21.567 1.00 28.21 C +ATOM 1112 CZ2 TRP B 84 4.150 14.569 -22.221 1.00 30.46 C +ATOM 1113 CZ3 TRP B 84 2.338 14.567 -20.600 1.00 30.29 C +ATOM 1114 CH2 TRP B 84 3.671 14.821 -20.959 1.00 29.64 C +ATOM 1115 N VAL B 85 -2.094 11.456 -21.870 1.00 27.75 N +ATOM 1116 CA VAL B 85 -3.406 11.235 -21.212 1.00 32.33 C +ATOM 1117 C VAL B 85 -3.660 12.340 -20.199 1.00 30.90 C +ATOM 1118 O VAL B 85 -2.718 12.755 -19.516 1.00 32.51 O +ATOM 1119 CB VAL B 85 -3.399 9.860 -20.546 1.00 35.65 C +ATOM 1120 CG1 VAL B 85 -4.677 9.638 -19.770 1.00 41.60 C +ATOM 1121 CG2 VAL B 85 -3.189 8.792 -21.615 1.00 41.20 C +ATOM 1122 N THR B 86 -4.909 12.757 -20.063 1.00 31.03 N +ATOM 1123 CA THR B 86 -5.286 13.588 -18.904 1.00 31.38 C +ATOM 1124 C THR B 86 -5.881 12.677 -17.828 1.00 32.59 C +ATOM 1125 O THR B 86 -6.776 11.874 -18.142 1.00 35.24 O +ATOM 1126 CB THR B 86 -6.240 14.710 -19.318 1.00 34.22 C +ATOM 1127 OG1 THR B 86 -5.586 15.496 -20.315 1.00 31.88 O +ATOM 1128 CG2 THR B 86 -6.668 15.573 -18.152 1.00 35.23 C +ATOM 1129 N ILE B 87 -5.357 12.788 -16.625 1.00 30.26 N +ATOM 1130 CA ILE B 87 -5.797 12.054 -15.425 1.00 31.98 C +ATOM 1131 C ILE B 87 -6.458 13.068 -14.505 1.00 33.38 C +ATOM 1132 O ILE B 87 -5.819 14.051 -14.074 1.00 32.26 O +ATOM 1133 CB ILE B 87 -4.637 11.313 -14.738 1.00 33.43 C +ATOM 1134 CG1 ILE B 87 -3.880 10.351 -15.665 1.00 34.91 C +ATOM 1135 CG2 ILE B 87 -5.157 10.623 -13.486 1.00 34.84 C +ATOM 1136 CD1 ILE B 87 -4.715 9.201 -16.206 1.00 37.00 C +ATOM 1137 N HIS B 88 -7.731 12.838 -14.223 1.00 33.64 N +ATOM 1138 CA HIS B 88 -8.504 13.580 -13.213 1.00 35.04 C +ATOM 1139 C HIS B 88 -8.375 12.881 -11.864 1.00 34.74 C +ATOM 1140 O HIS B 88 -8.495 11.638 -11.797 1.00 34.98 O +ATOM 1141 CB HIS B 88 -9.971 13.690 -13.660 1.00 38.26 C +ATOM 1142 CG HIS B 88 -10.049 14.279 -15.020 1.00 42.76 C +ATOM 1143 ND1 HIS B 88 -10.100 15.644 -15.223 1.00 45.51 N +ATOM 1144 CD2 HIS B 88 -10.011 13.699 -16.239 1.00 46.63 C +ATOM 1145 CE1 HIS B 88 -10.108 15.882 -16.514 1.00 43.89 C +ATOM 1146 NE2 HIS B 88 -10.060 14.706 -17.153 1.00 47.32 N +ATOM 1147 N THR B 89 -8.190 13.675 -10.823 1.00 34.44 N +ATOM 1148 CA THR B 89 -7.972 13.193 -9.437 1.00 35.26 C +ATOM 1149 C THR B 89 -9.099 13.790 -8.591 1.00 35.71 C +ATOM 1150 O THR B 89 -9.138 15.034 -8.439 1.00 37.86 O +ATOM 1151 CB THR B 89 -6.603 13.617 -8.901 1.00 37.30 C +ATOM 1152 OG1 THR B 89 -5.554 13.253 -9.811 1.00 34.26 O +ATOM 1153 CG2 THR B 89 -6.295 12.988 -7.557 1.00 38.98 C +ATOM 1154 N ASP B 90 -9.986 12.981 -8.050 1.00 38.97 N +ATOM 1155 CA ASP B 90 -11.136 13.568 -7.321 1.00 40.81 C +ATOM 1156 C ASP B 90 -10.706 13.872 -5.873 1.00 43.65 C +ATOM 1157 O ASP B 90 -9.518 13.693 -5.529 1.00 43.79 O +ATOM 1158 CB ASP B 90 -12.401 12.702 -7.418 1.00 44.46 C +ATOM 1159 CG ASP B 90 -12.410 11.459 -6.544 1.00 44.98 C +ATOM 1160 OD1 ASP B 90 -11.445 11.243 -5.756 1.00 43.46 O +ATOM 1161 OD2 ASP B 90 -13.378 10.704 -6.674 1.00 44.36 O +ATOM 1162 N GLU B 91 -11.643 14.318 -5.042 1.00 46.16 N +ATOM 1163 CA GLU B 91 -11.323 14.823 -3.678 1.00 48.56 C +ATOM 1164 C GLU B 91 -10.740 13.695 -2.840 1.00 45.39 C +ATOM 1165 O GLU B 91 -10.020 14.002 -1.910 1.00 47.47 O +ATOM 1166 CB GLU B 91 -12.581 15.392 -3.028 1.00 56.33 C +ATOM 1167 CG GLU B 91 -13.247 16.456 -3.883 1.00 60.11 C +ATOM 1168 CD GLU B 91 -14.398 16.041 -4.799 1.00 63.91 C +ATOM 1169 OE1 GLU B 91 -14.358 14.938 -5.438 1.00 59.60 O +ATOM 1170 OE2 GLU B 91 -15.334 16.857 -4.903 1.00 68.63 O +ATOM 1171 N GLY B 92 -11.012 12.440 -3.192 1.00 44.69 N +ATOM 1172 CA GLY B 92 -10.502 11.278 -2.448 1.00 46.74 C +ATOM 1173 C GLY B 92 -9.364 10.550 -3.146 1.00 44.88 C +ATOM 1174 O GLY B 92 -9.071 9.423 -2.737 1.00 45.28 O +ATOM 1175 N CYS B 93 -8.733 11.151 -4.161 1.00 44.11 N +ATOM 1176 CA CYS B 93 -7.568 10.593 -4.904 1.00 41.10 C +ATOM 1177 C CYS B 93 -8.022 9.456 -5.833 1.00 42.03 C +ATOM 1178 O CYS B 93 -7.171 8.741 -6.354 1.00 40.76 O +ATOM 1179 CB CYS B 93 -6.452 10.141 -3.964 1.00 42.26 C +ATOM 1180 SG CYS B 93 -5.836 11.487 -2.911 1.00 42.63 S +ATOM 1181 N ARG B 94 -9.308 9.334 -6.120 1.00 40.82 N +ATOM 1182 CA ARG B 94 -9.718 8.386 -7.185 1.00 44.18 C +ATOM 1183 C ARG B 94 -9.354 9.010 -8.550 1.00 39.24 C +ATOM 1184 O ARG B 94 -9.639 10.219 -8.791 1.00 39.62 O +ATOM 1185 CB ARG B 94 -11.191 7.993 -7.025 1.00 48.88 C +ATOM 1186 CG ARG B 94 -11.607 6.815 -7.893 1.00 53.97 C +ATOM 1187 CD ARG B 94 -13.011 6.326 -7.573 1.00 59.93 C +ATOM 1188 NE ARG B 94 -13.304 4.977 -8.070 1.00 65.65 N +ATOM 1189 CZ ARG B 94 -14.527 4.447 -8.094 1.00 73.18 C +ATOM 1190 NH1 ARG B 94 -15.554 5.161 -7.664 1.00 75.12 N +ATOM 1191 NH2 ARG B 94 -14.738 3.223 -8.560 1.00 76.98 N +ATOM 1192 N LEU B 95 -8.761 8.203 -9.417 1.00 37.70 N +ATOM 1193 CA LEU B 95 -8.248 8.633 -10.731 1.00 36.04 C +ATOM 1194 C LEU B 95 -9.160 8.187 -11.868 1.00 37.70 C +ATOM 1195 O LEU B 95 -9.675 7.024 -11.886 1.00 39.42 O +ATOM 1196 CB LEU B 95 -6.863 8.040 -10.914 1.00 36.20 C +ATOM 1197 CG LEU B 95 -5.907 8.328 -9.767 1.00 33.42 C +ATOM 1198 CD1 LEU B 95 -4.565 7.739 -10.116 1.00 32.75 C +ATOM 1199 CD2 LEU B 95 -5.820 9.841 -9.533 1.00 33.98 C +ATOM 1200 N SER B 96 -9.368 9.071 -12.824 1.00 37.25 N +ATOM 1201 CA SER B 96 -10.169 8.704 -14.014 1.00 37.60 C +ATOM 1202 C SER B 96 -9.536 9.318 -15.242 1.00 37.09 C +ATOM 1203 O SER B 96 -8.759 10.285 -15.109 1.00 35.45 O +ATOM 1204 CB SER B 96 -11.583 9.145 -13.867 1.00 42.06 C +ATOM 1205 OG SER B 96 -11.612 10.545 -13.638 1.00 42.04 O +ATOM 1206 N GLY B 97 -9.919 8.810 -16.408 1.00 36.22 N +ATOM 1207 CA GLY B 97 -9.256 9.250 -17.637 1.00 35.20 C +ATOM 1208 C GLY B 97 -9.227 8.128 -18.647 1.00 38.62 C +ATOM 1209 O GLY B 97 -9.524 6.989 -18.260 1.00 42.05 O +ATOM 1210 N ILE B 98 -8.971 8.461 -19.910 1.00 35.74 N +ATOM 1211 CA ILE B 98 -8.947 7.482 -21.022 1.00 40.49 C +ATOM 1212 C ILE B 98 -7.514 6.993 -21.124 1.00 39.39 C +ATOM 1213 O ILE B 98 -6.730 7.664 -21.786 1.00 40.19 O +ATOM 1214 CB ILE B 98 -9.359 8.140 -22.350 1.00 44.14 C +ATOM 1215 CG1 ILE B 98 -10.690 8.891 -22.257 1.00 49.29 C +ATOM 1216 CG2 ILE B 98 -9.333 7.097 -23.461 1.00 47.07 C +ATOM 1217 CD1 ILE B 98 -11.080 9.605 -23.560 1.00 53.72 C +ATOM 1218 N ILE B 99 -7.173 5.849 -20.564 1.00 36.11 N +ATOM 1219 CA ILE B 99 -5.741 5.488 -20.680 1.00 37.85 C +ATOM 1220 C ILE B 99 -5.616 4.289 -21.598 1.00 37.01 C +ATOM 1221 O ILE B 99 -6.589 3.609 -21.861 1.00 35.26 O +ATOM 1222 CB ILE B 99 -5.040 5.318 -19.334 1.00 40.49 C +ATOM 1223 CG1 ILE B 99 -5.329 3.969 -18.701 1.00 40.15 C +ATOM 1224 CG2 ILE B 99 -5.337 6.492 -18.382 1.00 41.71 C +ATOM 1225 CD1 ILE B 99 -4.377 3.696 -17.596 1.00 43.29 C +ATOM 1226 N PRO B 100 -4.427 4.106 -22.195 1.00 35.64 N +ATOM 1227 CA PRO B 100 -4.260 3.113 -23.246 1.00 36.73 C +ATOM 1228 C PRO B 100 -4.502 1.673 -22.771 1.00 35.45 C +ATOM 1229 O PRO B 100 -4.297 1.381 -21.614 1.00 35.09 O +ATOM 1230 CB PRO B 100 -2.820 3.311 -23.766 1.00 37.30 C +ATOM 1231 CG PRO B 100 -2.188 4.364 -22.894 1.00 35.99 C +ATOM 1232 CD PRO B 100 -3.244 4.948 -21.987 1.00 35.48 C +ATOM 1233 N ALA B 101 -4.877 0.804 -23.700 1.00 35.93 N +ATOM 1234 CA ALA B 101 -5.174 -0.623 -23.455 1.00 38.81 C +ATOM 1235 C ALA B 101 -3.953 -1.261 -22.783 1.00 40.25 C +ATOM 1236 O ALA B 101 -2.862 -0.974 -23.209 1.00 41.76 O +ATOM 1237 CB ALA B 101 -5.503 -1.341 -24.731 1.00 41.83 C +ATOM 1238 N GLY B 102 -4.166 -2.061 -21.742 1.00 42.27 N +ATOM 1239 CA GLY B 102 -3.091 -2.779 -21.030 1.00 45.94 C +ATOM 1240 C GLY B 102 -2.648 -2.019 -19.803 1.00 45.11 C +ATOM 1241 O GLY B 102 -2.064 -2.657 -18.877 1.00 47.61 O +ATOM 1242 N TRP B 103 -2.948 -0.712 -19.731 1.00 40.26 N +ATOM 1243 CA TRP B 103 -2.505 0.106 -18.587 1.00 38.75 C +ATOM 1244 C TRP B 103 -3.654 0.333 -17.603 1.00 38.54 C +ATOM 1245 O TRP B 103 -4.813 0.366 -18.013 1.00 38.30 O +ATOM 1246 CB TRP B 103 -1.956 1.434 -19.109 1.00 37.32 C +ATOM 1247 CG TRP B 103 -0.748 1.299 -19.979 1.00 38.15 C +ATOM 1248 CD1 TRP B 103 -0.652 1.082 -21.332 1.00 41.40 C +ATOM 1249 CD2 TRP B 103 0.603 1.407 -19.495 1.00 39.68 C +ATOM 1250 NE1 TRP B 103 0.668 1.076 -21.717 1.00 42.14 N +ATOM 1251 CE2 TRP B 103 1.453 1.304 -20.614 1.00 39.83 C +ATOM 1252 CE3 TRP B 103 1.147 1.614 -18.221 1.00 38.97 C +ATOM 1253 CZ2 TRP B 103 2.839 1.357 -20.470 1.00 44.50 C +ATOM 1254 CZ3 TRP B 103 2.514 1.685 -18.089 1.00 42.03 C +ATOM 1255 CH2 TRP B 103 3.343 1.578 -19.203 1.00 42.09 C +ATOM 1256 N LEU B 104 -3.312 0.551 -16.345 1.00 36.26 N +ATOM 1257 CA LEU B 104 -4.223 0.795 -15.214 1.00 37.33 C +ATOM 1258 C LEU B 104 -3.547 1.833 -14.323 1.00 35.96 C +ATOM 1259 O LEU B 104 -2.361 1.677 -14.053 1.00 35.36 O +ATOM 1260 CB LEU B 104 -4.443 -0.514 -14.454 1.00 42.55 C +ATOM 1261 CG LEU B 104 -5.306 -0.366 -13.204 1.00 45.21 C +ATOM 1262 CD1 LEU B 104 -6.718 0.077 -13.568 1.00 48.28 C +ATOM 1263 CD2 LEU B 104 -5.339 -1.664 -12.409 1.00 50.53 C +ATOM 1264 N ILE B 105 -4.229 2.904 -13.942 1.00 34.82 N +ATOM 1265 CA ILE B 105 -3.624 3.843 -12.959 1.00 31.94 C +ATOM 1266 C ILE B 105 -4.575 3.955 -11.759 1.00 34.51 C +ATOM 1267 O ILE B 105 -5.809 4.046 -11.959 1.00 35.16 O +ATOM 1268 CB ILE B 105 -3.256 5.197 -13.595 1.00 31.70 C +ATOM 1269 CG1 ILE B 105 -2.340 5.991 -12.645 1.00 31.85 C +ATOM 1270 CG2 ILE B 105 -4.519 5.948 -13.992 1.00 32.87 C +ATOM 1271 CD1 ILE B 105 -1.894 7.361 -13.147 1.00 30.62 C +ATOM 1272 N LEU B 106 -4.041 3.887 -10.527 1.00 34.03 N +ATOM 1273 CA LEU B 106 -4.879 3.826 -9.303 1.00 35.34 C +ATOM 1274 C LEU B 106 -4.331 4.816 -8.286 1.00 34.13 C +ATOM 1275 O LEU B 106 -3.093 4.909 -8.148 1.00 34.52 O +ATOM 1276 CB LEU B 106 -4.874 2.422 -8.689 1.00 39.59 C +ATOM 1277 CG LEU B 106 -5.517 1.308 -9.510 1.00 42.31 C +ATOM 1278 CD1 LEU B 106 -5.170 -0.029 -8.888 1.00 45.09 C +ATOM 1279 CD2 LEU B 106 -7.030 1.505 -9.619 1.00 42.93 C +ATOM 1280 N GLY B 107 -5.228 5.504 -7.607 1.00 37.00 N +ATOM 1281 CA GLY B 107 -4.881 6.548 -6.629 1.00 37.62 C +ATOM 1282 C GLY B 107 -5.378 6.245 -5.229 1.00 40.81 C +ATOM 1283 O GLY B 107 -6.366 5.540 -5.046 1.00 39.10 O +ATOM 1284 N ILE B 108 -4.690 6.823 -4.260 1.00 39.95 N +ATOM 1285 CA ILE B 108 -5.015 6.679 -2.826 1.00 41.13 C +ATOM 1286 C ILE B 108 -4.476 7.921 -2.108 1.00 39.99 C +ATOM 1287 O ILE B 108 -3.510 8.569 -2.595 1.00 39.55 O +ATOM 1288 CB ILE B 108 -4.443 5.366 -2.268 1.00 43.35 C +ATOM 1289 CG1 ILE B 108 -4.860 5.178 -0.806 1.00 46.61 C +ATOM 1290 CG2 ILE B 108 -2.925 5.331 -2.423 1.00 42.47 C +ATOM 1291 CD1 ILE B 108 -4.485 3.843 -0.243 1.00 50.21 C +ATOM 1292 N LYS B 109 -5.092 8.264 -0.992 1.00 41.93 N +ATOM 1293 CA LYS B 109 -4.583 9.375 -0.179 1.00 42.05 C +ATOM 1294 C LYS B 109 -3.180 9.002 0.287 1.00 40.13 C +ATOM 1295 O LYS B 109 -2.957 7.878 0.823 1.00 41.19 O +ATOM 1296 CB LYS B 109 -5.461 9.659 1.035 1.00 47.14 C +ATOM 1297 CG LYS B 109 -6.619 10.591 0.748 1.00 51.49 C +ATOM 1298 CD LYS B 109 -6.152 11.973 0.443 1.00 53.26 C +ATOM 1299 CE LYS B 109 -7.216 12.999 0.745 1.00 59.56 C +ATOM 1300 NZ LYS B 109 -6.821 14.305 0.175 1.00 62.04 N +ATOM 1301 N ARG B 110 -2.282 9.951 0.144 1.00 38.53 N +ATOM 1302 CA ARG B 110 -0.987 9.830 0.831 1.00 41.49 C +ATOM 1303 C ARG B 110 -1.240 9.616 2.321 1.00 44.15 C +ATOM 1304 O ARG B 110 -2.195 10.218 2.927 1.00 44.41 O +ATOM 1305 CB ARG B 110 -0.156 11.069 0.502 1.00 39.87 C +ATOM 1306 CG ARG B 110 1.121 11.166 1.300 1.00 42.12 C +ATOM 1307 CD ARG B 110 1.960 12.211 0.585 1.00 40.53 C +ATOM 1308 NE ARG B 110 3.187 12.462 1.324 1.00 43.13 N +ATOM 1309 CZ ARG B 110 3.942 13.558 1.181 1.00 42.90 C +ATOM 1310 NH1 ARG B 110 3.584 14.526 0.343 1.00 41.49 N +ATOM 1311 NH2 ARG B 110 5.051 13.687 1.885 1.00 41.90 N +ATOM 1312 N LEU B 111 -0.482 8.706 2.922 1.00 46.68 N +ATOM 1313 CA LEU B 111 -0.736 8.312 4.300 1.00 50.55 C +ATOM 1314 C LEU B 111 -0.566 9.546 5.209 1.00 50.66 C +ATOM 1315 O LEU B 111 0.474 10.227 5.107 1.00 47.65 O +ATOM 1316 CB LEU B 111 0.224 7.171 4.626 1.00 56.31 C +ATOM 1317 CG LEU B 111 0.003 6.476 5.955 1.00 60.86 C +ATOM 1318 CD1 LEU B 111 -1.204 5.532 5.915 1.00 63.21 C +ATOM 1319 CD2 LEU B 111 1.267 5.725 6.340 1.00 64.83 C +ATOM 1320 N GLY B 112 -1.574 9.842 6.033 1.00 50.45 N +ATOM 1321 CA GLY B 112 -1.601 11.011 6.940 1.00 52.60 C +ATOM 1322 C GLY B 112 -2.191 12.252 6.276 1.00 49.13 C +ATOM 1323 O GLY B 112 -2.314 13.305 6.952 1.00 49.65 O +ATOM 1324 N PHE B 113 -2.661 12.134 5.043 1.00 45.57 N +ATOM 1325 CA PHE B 113 -3.458 13.199 4.389 1.00 46.17 C +ATOM 1326 C PHE B 113 -4.922 12.779 4.266 1.00 50.18 C +ATOM 1327 O PHE B 113 -5.274 11.624 4.432 1.00 51.11 O +ATOM 1328 CB PHE B 113 -2.882 13.518 3.023 1.00 45.04 C +ATOM 1329 CG PHE B 113 -1.526 14.157 3.111 1.00 43.54 C +ATOM 1330 CD1 PHE B 113 -0.418 13.395 3.454 1.00 45.29 C +ATOM 1331 CD2 PHE B 113 -1.381 15.523 2.908 1.00 44.17 C +ATOM 1332 CE1 PHE B 113 0.835 13.988 3.553 1.00 48.41 C +ATOM 1333 CE2 PHE B 113 -0.131 16.111 2.984 1.00 44.95 C +ATOM 1334 CZ PHE B 113 0.978 15.344 3.295 1.00 48.21 C +ATOM 1335 OXT PHE B 113 -5.749 13.632 3.982 1.00 54.10 O diff --git a/tests/resources/issue98/test2.pdb b/tests/resources/issue98/test2.pdb new file mode 100644 index 0000000..b217b91 --- /dev/null +++ b/tests/resources/issue98/test2.pdb @@ -0,0 +1,2675 @@ +ATOM 1 N GLY A 1 -10.558 -12.087 10.701 1.00 76.99 N +ATOM 2 H GLY A 1 -10.450 -13.032 11.040 1.00 76.99 H +ATOM 3 H2 GLY A 1 -11.275 -11.614 11.232 1.00 76.99 H +ATOM 4 H3 GLY A 1 -9.671 -11.619 10.821 1.00 76.99 H +ATOM 5 CA GLY A 1 -10.900 -12.117 9.265 1.00 76.99 C +ATOM 6 HA2 GLY A 1 -11.818 -12.682 9.109 1.00 76.99 H +ATOM 7 HA3 GLY A 1 -11.022 -11.102 8.885 1.00 76.99 H +ATOM 8 C GLY A 1 -9.778 -12.786 8.499 1.00 76.99 C +ATOM 9 O GLY A 1 -8.726 -12.988 9.100 1.00 76.99 O +ATOM 10 N PRO A 2 -9.980 -13.139 7.224 1.00 89.57 N +ATOM 11 CA PRO A 2 -8.920 -13.720 6.411 1.00 89.57 C +ATOM 12 HA PRO A 2 -8.524 -14.616 6.890 1.00 89.57 H +ATOM 13 C PRO A 2 -7.776 -12.721 6.200 1.00 89.57 C +ATOM 14 CB PRO A 2 -9.595 -14.116 5.101 1.00 89.57 C +ATOM 15 HB2 PRO A 2 -8.905 -14.039 4.261 1.00 89.57 H +ATOM 16 HB3 PRO A 2 -9.993 -15.127 5.182 1.00 89.57 H +ATOM 17 O PRO A 2 -7.976 -11.500 6.249 1.00 89.57 O +ATOM 18 CG PRO A 2 -10.746 -13.123 4.969 1.00 89.57 C +ATOM 19 HG2 PRO A 2 -11.554 -13.522 4.356 1.00 89.57 H +ATOM 20 HG3 PRO A 2 -10.375 -12.185 4.556 1.00 89.57 H +ATOM 21 CD PRO A 2 -11.178 -12.916 6.421 1.00 89.57 C +ATOM 22 HD2 PRO A 2 -11.572 -11.908 6.552 1.00 89.57 H +ATOM 23 HD3 PRO A 2 -11.933 -13.658 6.683 1.00 89.57 H +ATOM 24 N LYS A 3 -6.570 -13.242 5.969 1.00 95.75 N +ATOM 25 H LYS A 3 -6.492 -14.246 5.890 1.00 95.75 H +ATOM 26 CA LYS A 3 -5.418 -12.437 5.562 1.00 95.75 C +ATOM 27 HA LYS A 3 -5.377 -11.534 6.172 1.00 95.75 H +ATOM 28 C LYS A 3 -5.611 -12.006 4.115 1.00 95.75 C +ATOM 29 CB LYS A 3 -4.143 -13.256 5.788 1.00 95.75 C +ATOM 30 HB2 LYS A 3 -4.153 -13.620 6.816 1.00 95.75 H +ATOM 31 HB3 LYS A 3 -4.160 -14.125 5.131 1.00 95.75 H +ATOM 32 O LYS A 3 -6.024 -12.796 3.277 1.00 95.75 O +ATOM 33 CG LYS A 3 -2.844 -12.467 5.567 1.00 95.75 C +ATOM 34 HG2 LYS A 3 -2.775 -12.128 4.533 1.00 95.75 H +ATOM 35 HG3 LYS A 3 -2.817 -11.605 6.233 1.00 95.75 H +ATOM 36 CD LYS A 3 -1.676 -13.406 5.888 1.00 95.75 C +ATOM 37 HD2 LYS A 3 -1.743 -14.284 5.246 1.00 95.75 H +ATOM 38 HD3 LYS A 3 -1.774 -13.742 6.921 1.00 95.75 H +ATOM 39 CE LYS A 3 -0.308 -12.752 5.704 1.00 95.75 C +ATOM 40 HE2 LYS A 3 -0.250 -11.862 6.330 1.00 95.75 H +ATOM 41 HE3 LYS A 3 -0.204 -12.455 4.660 1.00 95.75 H +ATOM 42 NZ LYS A 3 0.752 -13.722 6.073 1.00 95.75 N +ATOM 43 HZ1 LYS A 3 1.679 -13.352 5.921 1.00 95.75 H +ATOM 44 HZ2 LYS A 3 0.657 -13.999 7.039 1.00 95.75 H +ATOM 45 HZ3 LYS A 3 0.642 -14.575 5.542 1.00 95.75 H +ATOM 46 N GLN A 4 -5.324 -10.751 3.815 1.00 95.79 N +ATOM 47 H GLN A 4 -4.999 -10.144 4.554 1.00 95.79 H +ATOM 48 CA GLN A 4 -5.496 -10.166 2.493 1.00 95.79 C +ATOM 49 HA GLN A 4 -5.819 -10.933 1.789 1.00 95.79 H +ATOM 50 C GLN A 4 -4.172 -9.606 1.996 1.00 95.79 C +ATOM 51 CB GLN A 4 -6.570 -9.072 2.529 1.00 95.79 C +ATOM 52 HB2 GLN A 4 -6.616 -8.589 1.553 1.00 95.79 H +ATOM 53 HB3 GLN A 4 -6.297 -8.323 3.272 1.00 95.79 H +ATOM 54 O GLN A 4 -3.391 -9.064 2.777 1.00 95.79 O +ATOM 55 CG GLN A 4 -7.957 -9.642 2.855 1.00 95.79 C +ATOM 56 HG2 GLN A 4 -7.949 -10.123 3.833 1.00 95.79 H +ATOM 57 HG3 GLN A 4 -8.218 -10.391 2.107 1.00 95.79 H +ATOM 58 CD GLN A 4 -9.018 -8.551 2.880 1.00 95.79 C +ATOM 59 NE2 GLN A 4 -10.105 -8.709 2.158 1.00 95.79 N +ATOM 60 HE21 GLN A 4 -10.241 -9.544 1.606 1.00 95.79 H +ATOM 61 HE22 GLN A 4 -10.790 -7.968 2.216 1.00 95.79 H +ATOM 62 OE1 GLN A 4 -8.892 -7.537 3.548 1.00 95.79 O +ATOM 63 N LYS A 5 -3.953 -9.709 0.689 1.00 97.21 N +ATOM 64 H LYS A 5 -4.645 -10.204 0.144 1.00 97.21 H +ATOM 65 CA LYS A 5 -2.930 -8.989 -0.057 1.00 97.21 C +ATOM 66 HA LYS A 5 -2.334 -8.392 0.633 1.00 97.21 H +ATOM 67 C LYS A 5 -3.627 -8.023 -1.009 1.00 97.21 C +ATOM 68 CB LYS A 5 -1.986 -9.991 -0.732 1.00 97.21 C +ATOM 69 HB2 LYS A 5 -2.564 -10.786 -1.204 1.00 97.21 H +ATOM 70 HB3 LYS A 5 -1.367 -10.449 0.039 1.00 97.21 H +ATOM 71 O LYS A 5 -4.523 -8.387 -1.764 1.00 97.21 O +ATOM 72 CG LYS A 5 -1.090 -9.340 -1.791 1.00 97.21 C +ATOM 73 HG2 LYS A 5 -0.681 -8.404 -1.412 1.00 97.21 H +ATOM 74 HG3 LYS A 5 -1.694 -9.128 -2.673 1.00 97.21 H +ATOM 75 CD LYS A 5 0.068 -10.268 -2.171 1.00 97.21 C +ATOM 76 HD2 LYS A 5 0.833 -10.200 -1.398 1.00 97.21 H +ATOM 77 HD3 LYS A 5 -0.273 -11.300 -2.244 1.00 97.21 H +ATOM 78 CE LYS A 5 0.636 -9.827 -3.517 1.00 97.21 C +ATOM 79 HE2 LYS A 5 0.631 -8.737 -3.554 1.00 97.21 H +ATOM 80 HE3 LYS A 5 -0.015 -10.196 -4.310 1.00 97.21 H +ATOM 81 NZ LYS A 5 2.024 -10.296 -3.708 1.00 97.21 N +ATOM 82 HZ1 LYS A 5 2.100 -11.301 -3.782 1.00 97.21 H +ATOM 83 HZ2 LYS A 5 2.433 -9.803 -4.489 1.00 97.21 H +ATOM 84 HZ3 LYS A 5 2.578 -9.937 -2.944 1.00 97.21 H +ATOM 85 N ILE A 6 -3.235 -6.763 -0.929 1.00 97.41 N +ATOM 86 H ILE A 6 -2.502 -6.543 -0.269 1.00 97.41 H +ATOM 87 CA ILE A 6 -3.856 -5.640 -1.619 1.00 97.41 C +ATOM 88 HA ILE A 6 -4.627 -6.003 -2.298 1.00 97.41 H +ATOM 89 C ILE A 6 -2.763 -4.952 -2.422 1.00 97.41 C +ATOM 90 CB ILE A 6 -4.505 -4.668 -0.612 1.00 97.41 C +ATOM 91 HB ILE A 6 -3.706 -4.244 -0.004 1.00 97.41 H +ATOM 92 O ILE A 6 -1.704 -4.641 -1.887 1.00 97.41 O +ATOM 93 CG1 ILE A 6 -5.511 -5.372 0.330 1.00 97.41 C +ATOM 94 HG12 ILE A 6 -6.450 -5.548 -0.193 1.00 97.41 H +ATOM 95 HG13 ILE A 6 -5.127 -6.336 0.664 1.00 97.41 H +ATOM 96 CG2 ILE A 6 -5.209 -3.521 -1.362 1.00 97.41 C +ATOM 97 HG21 ILE A 6 -4.515 -3.028 -2.043 1.00 97.41 H +ATOM 98 HG22 ILE A 6 -6.041 -3.910 -1.949 1.00 97.41 H +ATOM 99 HG23 ILE A 6 -5.578 -2.774 -0.659 1.00 97.41 H +ATOM 100 CD1 ILE A 6 -5.765 -4.555 1.597 1.00 97.41 C +ATOM 101 HD11 ILE A 6 -4.824 -4.407 2.126 1.00 97.41 H +ATOM 102 HD12 ILE A 6 -6.181 -3.580 1.343 1.00 97.41 H +ATOM 103 HD13 ILE A 6 -6.459 -5.093 2.243 1.00 97.41 H +ATOM 104 N VAL A 7 -3.026 -4.686 -3.695 1.00 97.79 N +ATOM 105 H VAL A 7 -3.931 -4.953 -4.057 1.00 97.79 H +ATOM 106 CA VAL A 7 -2.140 -3.902 -4.554 1.00 97.79 C +ATOM 107 HA VAL A 7 -1.218 -3.673 -4.019 1.00 97.79 H +ATOM 108 C VAL A 7 -2.835 -2.592 -4.879 1.00 97.79 C +ATOM 109 CB VAL A 7 -1.742 -4.677 -5.819 1.00 97.79 C +ATOM 110 HB VAL A 7 -2.631 -4.870 -6.420 1.00 97.79 H +ATOM 111 O VAL A 7 -3.940 -2.588 -5.423 1.00 97.79 O +ATOM 112 CG1 VAL A 7 -0.755 -3.866 -6.661 1.00 97.79 C +ATOM 113 HG11 VAL A 7 -0.477 -4.438 -7.546 1.00 97.79 H +ATOM 114 HG12 VAL A 7 0.146 -3.657 -6.083 1.00 97.79 H +ATOM 115 HG13 VAL A 7 -1.203 -2.929 -6.992 1.00 97.79 H +ATOM 116 CG2 VAL A 7 -1.077 -6.018 -5.468 1.00 97.79 C +ATOM 117 HG21 VAL A 7 -1.782 -6.666 -4.948 1.00 97.79 H +ATOM 118 HG22 VAL A 7 -0.756 -6.520 -6.381 1.00 97.79 H +ATOM 119 HG23 VAL A 7 -0.209 -5.849 -4.832 1.00 97.79 H +ATOM 120 N ILE A 8 -2.193 -1.478 -4.537 1.00 98.01 N +ATOM 121 H ILE A 8 -1.314 -1.573 -4.049 1.00 98.01 H +ATOM 122 CA ILE A 8 -2.705 -0.124 -4.755 1.00 98.01 C +ATOM 123 HA ILE A 8 -3.683 -0.187 -5.232 1.00 98.01 H +ATOM 124 C ILE A 8 -1.755 0.610 -5.695 1.00 98.01 C +ATOM 125 CB ILE A 8 -2.879 0.633 -3.417 1.00 98.01 C +ATOM 126 HB ILE A 8 -1.907 0.700 -2.929 1.00 98.01 H +ATOM 127 O ILE A 8 -0.596 0.825 -5.356 1.00 98.01 O +ATOM 128 CG1 ILE A 8 -3.838 -0.124 -2.474 1.00 98.01 C +ATOM 129 HG12 ILE A 8 -3.491 -1.153 -2.379 1.00 98.01 H +ATOM 130 HG13 ILE A 8 -4.840 -0.138 -2.903 1.00 98.01 H +ATOM 131 CG2 ILE A 8 -3.395 2.064 -3.670 1.00 98.01 C +ATOM 132 HG21 ILE A 8 -4.367 2.029 -4.161 1.00 98.01 H +ATOM 133 HG22 ILE A 8 -2.695 2.619 -4.295 1.00 98.01 H +ATOM 134 HG23 ILE A 8 -3.493 2.605 -2.728 1.00 98.01 H +ATOM 135 CD1 ILE A 8 -3.903 0.432 -1.049 1.00 98.01 C +ATOM 136 HD11 ILE A 8 -4.336 1.432 -1.040 1.00 98.01 H +ATOM 137 HD12 ILE A 8 -4.535 -0.219 -0.445 1.00 98.01 H +ATOM 138 HD13 ILE A 8 -2.903 0.458 -0.616 1.00 98.01 H +ATOM 139 N LYS A 9 -2.239 1.055 -6.852 1.00 96.82 N +ATOM 140 H LYS A 9 -3.227 0.935 -7.022 1.00 96.82 H +ATOM 141 CA LYS A 9 -1.488 1.962 -7.724 1.00 96.82 C +ATOM 142 HA LYS A 9 -0.437 1.676 -7.715 1.00 96.82 H +ATOM 143 C LYS A 9 -1.603 3.380 -7.184 1.00 96.82 C +ATOM 144 CB LYS A 9 -2.007 1.840 -9.157 1.00 96.82 C +ATOM 145 HB2 LYS A 9 -1.938 0.792 -9.447 1.00 96.82 H +ATOM 146 HB3 LYS A 9 -3.049 2.156 -9.207 1.00 96.82 H +ATOM 147 O LYS A 9 -2.707 3.824 -6.883 1.00 96.82 O +ATOM 148 CG LYS A 9 -1.167 2.644 -10.154 1.00 96.82 C +ATOM 149 HG2 LYS A 9 -0.122 2.349 -10.056 1.00 96.82 H +ATOM 150 HG3 LYS A 9 -1.259 3.710 -9.950 1.00 96.82 H +ATOM 151 CD LYS A 9 -1.644 2.353 -11.582 1.00 96.82 C +ATOM 152 HD2 LYS A 9 -2.653 2.743 -11.719 1.00 96.82 H +ATOM 153 HD3 LYS A 9 -1.651 1.275 -11.744 1.00 96.82 H +ATOM 154 CE LYS A 9 -0.681 3.004 -12.573 1.00 96.82 C +ATOM 155 HE2 LYS A 9 -0.687 4.084 -12.430 1.00 96.82 H +ATOM 156 HE3 LYS A 9 0.323 2.647 -12.340 1.00 96.82 H +ATOM 157 NZ LYS A 9 -1.003 2.652 -13.974 1.00 96.82 N +ATOM 158 HZ1 LYS A 9 -1.923 2.981 -14.230 1.00 96.82 H +ATOM 159 HZ2 LYS A 9 -0.312 3.057 -14.590 1.00 96.82 H +ATOM 160 HZ3 LYS A 9 -0.966 1.650 -14.092 1.00 96.82 H +ATOM 161 N ALA A 10 -0.495 4.102 -7.067 1.00 95.60 N +ATOM 162 H ALA A 10 0.381 3.684 -7.346 1.00 95.60 H +ATOM 163 CA ALA A 10 -0.477 5.479 -6.577 1.00 95.60 C +ATOM 164 HA ALA A 10 -1.445 5.940 -6.774 1.00 95.60 H +ATOM 165 C ALA A 10 0.579 6.322 -7.300 1.00 95.60 C +ATOM 166 CB ALA A 10 -0.250 5.468 -5.058 1.00 95.60 C +ATOM 167 HB1 ALA A 10 -1.036 4.889 -4.573 1.00 95.60 H +ATOM 168 HB2 ALA A 10 0.716 5.017 -4.830 1.00 95.60 H +ATOM 169 HB3 ALA A 10 -0.273 6.487 -4.675 1.00 95.60 H +ATOM 170 O ALA A 10 1.573 5.805 -7.807 1.00 95.60 O +ATOM 171 N THR A 11 0.401 7.645 -7.314 1.00 93.12 N +ATOM 172 H THR A 11 -0.436 8.035 -6.905 1.00 93.12 H +ATOM 173 CA THR A 11 1.393 8.546 -7.922 1.00 93.12 C +ATOM 174 HA THR A 11 1.688 8.123 -8.882 1.00 93.12 H +ATOM 175 C THR A 11 2.641 8.640 -7.044 1.00 93.12 C +ATOM 176 CB THR A 11 0.814 9.935 -8.212 1.00 93.12 C +ATOM 177 HB THR A 11 0.501 10.416 -7.285 1.00 93.12 H +ATOM 178 O THR A 11 2.696 9.431 -6.101 1.00 93.12 O +ATOM 179 CG2 THR A 11 1.797 10.840 -8.957 1.00 93.12 C +ATOM 180 HG21 THR A 11 2.134 10.347 -9.870 1.00 93.12 H +ATOM 181 HG22 THR A 11 1.310 11.780 -9.215 1.00 93.12 H +ATOM 182 HG23 THR A 11 2.658 11.056 -8.324 1.00 93.12 H +ATOM 183 OG1 THR A 11 -0.292 9.792 -9.064 1.00 93.12 O +ATOM 184 HG1 THR A 11 -0.548 10.654 -9.401 1.00 93.12 H +ATOM 185 N MET A 12 3.661 7.846 -7.375 1.00 93.50 N +ATOM 186 H MET A 12 3.477 7.138 -8.072 1.00 93.50 H +ATOM 187 CA MET A 12 4.918 7.745 -6.626 1.00 93.50 C +ATOM 188 HA MET A 12 4.921 8.521 -5.861 1.00 93.50 H +ATOM 189 C MET A 12 6.152 7.988 -7.512 1.00 93.50 C +ATOM 190 CB MET A 12 4.986 6.400 -5.897 1.00 93.50 C +ATOM 191 HB2 MET A 12 5.951 6.337 -5.395 1.00 93.50 H +ATOM 192 HB3 MET A 12 4.912 5.590 -6.622 1.00 93.50 H +ATOM 193 O MET A 12 7.018 7.126 -7.666 1.00 93.50 O +ATOM 194 CG MET A 12 3.905 6.243 -4.827 1.00 93.50 C +ATOM 195 HG2 MET A 12 3.974 7.083 -4.136 1.00 93.50 H +ATOM 196 HG3 MET A 12 2.921 6.263 -5.296 1.00 93.50 H +ATOM 197 SD MET A 12 4.057 4.713 -3.872 1.00 93.50 S +ATOM 198 CE MET A 12 3.671 3.478 -5.139 1.00 93.50 C +ATOM 199 HE1 MET A 12 4.499 3.405 -5.845 1.00 93.50 H +ATOM 200 HE2 MET A 12 3.527 2.505 -4.669 1.00 93.50 H +ATOM 201 HE3 MET A 12 2.759 3.760 -5.665 1.00 93.50 H +ATOM 202 N SER A 13 6.246 9.177 -8.115 1.00 89.56 N +ATOM 203 H SER A 13 5.538 9.872 -7.926 1.00 89.56 H +ATOM 204 CA SER A 13 7.286 9.506 -9.108 1.00 89.56 C +ATOM 205 HA SER A 13 7.330 8.692 -9.831 1.00 89.56 H +ATOM 206 C SER A 13 8.703 9.654 -8.538 1.00 89.56 C +ATOM 207 CB SER A 13 6.902 10.776 -9.873 1.00 89.56 C +ATOM 208 HB2 SER A 13 5.971 10.598 -10.411 1.00 89.56 H +ATOM 209 HB3 SER A 13 7.680 11.002 -10.602 1.00 89.56 H +ATOM 210 O SER A 13 9.670 9.682 -9.293 1.00 89.56 O +ATOM 211 OG SER A 13 6.732 11.883 -9.001 1.00 89.56 O +ATOM 212 HG SER A 13 6.635 12.659 -9.557 1.00 89.56 H +ATOM 213 N ASN A 14 8.861 9.749 -7.215 1.00 92.68 N +ATOM 214 H ASN A 14 8.034 9.675 -6.641 1.00 92.68 H +ATOM 215 CA ASN A 14 10.162 9.945 -6.572 1.00 92.68 C +ATOM 216 HA ASN A 14 10.931 9.517 -7.214 1.00 92.68 H +ATOM 217 C ASN A 14 10.273 9.223 -5.218 1.00 92.68 C +ATOM 218 CB ASN A 14 10.437 11.458 -6.467 1.00 92.68 C +ATOM 219 HB2 ASN A 14 10.445 11.878 -7.473 1.00 92.68 H +ATOM 220 HB3 ASN A 14 11.422 11.635 -6.035 1.00 92.68 H +ATOM 221 O ASN A 14 9.278 8.795 -4.627 1.00 92.68 O +ATOM 222 CG ASN A 14 9.408 12.190 -5.627 1.00 92.68 C +ATOM 223 ND2 ASN A 14 8.779 13.209 -6.157 1.00 92.68 N +ATOM 224 HD21 ASN A 14 8.053 13.647 -5.609 1.00 92.68 H +ATOM 225 HD22 ASN A 14 8.945 13.451 -7.123 1.00 92.68 H +ATOM 226 OD1 ASN A 14 9.160 11.850 -4.481 1.00 92.68 O +ATOM 227 N ALA A 15 11.499 9.123 -4.697 1.00 93.76 N +ATOM 228 H ALA A 15 12.279 9.499 -5.217 1.00 93.76 H +ATOM 229 CA ALA A 15 11.786 8.459 -3.423 1.00 93.76 C +ATOM 230 HA ALA A 15 11.519 7.405 -3.507 1.00 93.76 H +ATOM 231 C ALA A 15 10.981 9.033 -2.242 1.00 93.76 C +ATOM 232 CB ALA A 15 13.295 8.549 -3.164 1.00 93.76 C +ATOM 233 HB1 ALA A 15 13.615 9.590 -3.117 1.00 93.76 H +ATOM 234 HB2 ALA A 15 13.532 8.068 -2.216 1.00 93.76 H +ATOM 235 HB3 ALA A 15 13.844 8.039 -3.956 1.00 93.76 H +ATOM 236 O ALA A 15 10.508 8.270 -1.403 1.00 93.76 O +ATOM 237 N LYS A 16 10.742 10.352 -2.212 1.00 94.75 N +ATOM 238 H LYS A 16 11.107 10.919 -2.964 1.00 94.75 H +ATOM 239 CA LYS A 16 9.943 11.009 -1.164 1.00 94.75 C +ATOM 240 HA LYS A 16 10.353 10.730 -0.194 1.00 94.75 H +ATOM 241 C LYS A 16 8.493 10.523 -1.172 1.00 94.75 C +ATOM 242 CB LYS A 16 10.055 12.535 -1.323 1.00 94.75 C +ATOM 243 HB2 LYS A 16 11.109 12.809 -1.267 1.00 94.75 H +ATOM 244 HB3 LYS A 16 9.680 12.836 -2.301 1.00 94.75 H +ATOM 245 O LYS A 16 7.975 10.146 -0.127 1.00 94.75 O +ATOM 246 CG LYS A 16 9.284 13.319 -0.250 1.00 94.75 C +ATOM 247 HG2 LYS A 16 8.225 13.066 -0.290 1.00 94.75 H +ATOM 248 HG3 LYS A 16 9.675 13.063 0.734 1.00 94.75 H +ATOM 249 CD LYS A 16 9.445 14.827 -0.491 1.00 94.75 C +ATOM 250 HD2 LYS A 16 9.033 15.080 -1.468 1.00 94.75 H +ATOM 251 HD3 LYS A 16 10.507 15.072 -0.482 1.00 94.75 H +ATOM 252 CE LYS A 16 8.726 15.633 0.596 1.00 94.75 C +ATOM 253 HE2 LYS A 16 9.101 15.308 1.567 1.00 94.75 H +ATOM 254 HE3 LYS A 16 7.661 15.407 0.553 1.00 94.75 H +ATOM 255 NZ LYS A 16 8.956 17.093 0.431 1.00 94.75 N +ATOM 256 HZ1 LYS A 16 8.610 17.420 -0.459 1.00 94.75 H +ATOM 257 HZ2 LYS A 16 9.944 17.302 0.475 1.00 94.75 H +ATOM 258 HZ3 LYS A 16 8.504 17.622 1.163 1.00 94.75 H +ATOM 259 N SER A 17 7.855 10.491 -2.341 1.00 94.40 N +ATOM 260 H SER A 17 8.334 10.862 -3.149 1.00 94.40 H +ATOM 261 CA SER A 17 6.478 10.000 -2.487 1.00 94.40 C +ATOM 262 HA SER A 17 5.846 10.539 -1.781 1.00 94.40 H +ATOM 263 C SER A 17 6.343 8.509 -2.145 1.00 94.40 C +ATOM 264 CB SER A 17 5.950 10.309 -3.890 1.00 94.40 C +ATOM 265 HB2 SER A 17 5.928 11.391 -4.024 1.00 94.40 H +ATOM 266 HB3 SER A 17 4.931 9.935 -3.986 1.00 94.40 H +ATOM 267 O SER A 17 5.390 8.132 -1.470 1.00 94.40 O +ATOM 268 OG SER A 17 6.757 9.742 -4.907 1.00 94.40 O +ATOM 269 HG SER A 17 7.643 9.567 -4.583 1.00 94.40 H +ATOM 270 N ARG A 18 7.336 7.676 -2.498 1.00 95.69 N +ATOM 271 H ARG A 18 8.091 8.044 -3.061 1.00 95.69 H +ATOM 272 CA ARG A 18 7.381 6.252 -2.115 1.00 95.69 C +ATOM 273 HA ARG A 18 6.439 5.774 -2.384 1.00 95.69 H +ATOM 274 C ARG A 18 7.525 6.071 -0.606 1.00 95.69 C +ATOM 275 CB ARG A 18 8.525 5.528 -2.843 1.00 95.69 C +ATOM 276 HB2 ARG A 18 9.463 6.052 -2.658 1.00 95.69 H +ATOM 277 HB3 ARG A 18 8.612 4.517 -2.444 1.00 95.69 H +ATOM 278 O ARG A 18 6.768 5.315 -0.010 1.00 95.69 O +ATOM 279 CG ARG A 18 8.276 5.430 -4.351 1.00 95.69 C +ATOM 280 HG2 ARG A 18 7.375 4.843 -4.527 1.00 95.69 H +ATOM 281 HG3 ARG A 18 8.143 6.430 -4.764 1.00 95.69 H +ATOM 282 CD ARG A 18 9.440 4.756 -5.073 1.00 95.69 C +ATOM 283 HD2 ARG A 18 10.370 5.225 -4.752 1.00 95.69 H +ATOM 284 HD3 ARG A 18 9.469 3.704 -4.789 1.00 95.69 H +ATOM 285 NE ARG A 18 9.264 4.866 -6.533 1.00 95.69 N +ATOM 286 HE ARG A 18 8.379 4.543 -6.898 1.00 95.69 H +ATOM 287 NH1 ARG A 18 11.256 5.890 -7.070 1.00 95.69 N +ATOM 288 HH11 ARG A 18 11.553 5.797 -6.109 1.00 95.69 H +ATOM 289 HH12 ARG A 18 11.859 6.269 -7.786 1.00 95.69 H +ATOM 290 NH2 ARG A 18 9.750 5.474 -8.666 1.00 95.69 N +ATOM 291 HH21 ARG A 18 10.312 5.942 -9.363 1.00 95.69 H +ATOM 292 HH22 ARG A 18 8.855 5.106 -8.954 1.00 95.69 H +ATOM 293 CZ ARG A 18 10.086 5.414 -7.411 1.00 95.69 C +ATOM 294 N ALA A 19 8.441 6.804 0.026 1.00 96.20 N +ATOM 295 H ALA A 19 9.061 7.388 -0.517 1.00 96.20 H +ATOM 296 CA ALA A 19 8.613 6.768 1.478 1.00 96.20 C +ATOM 297 HA ALA A 19 8.833 5.745 1.782 1.00 96.20 H +ATOM 298 C ALA A 19 7.330 7.203 2.207 1.00 96.20 C +ATOM 299 CB ALA A 19 9.804 7.656 1.853 1.00 96.20 C +ATOM 300 HB1 ALA A 19 10.705 7.295 1.356 1.00 96.20 H +ATOM 301 HB2 ALA A 19 9.960 7.618 2.931 1.00 96.20 H +ATOM 302 HB3 ALA A 19 9.617 8.687 1.555 1.00 96.20 H +ATOM 303 O ALA A 19 6.919 6.569 3.175 1.00 96.20 O +ATOM 304 N GLN A 20 6.650 8.241 1.709 1.00 95.44 N +ATOM 305 H GLN A 20 7.039 8.739 0.921 1.00 95.44 H +ATOM 306 CA GLN A 20 5.358 8.669 2.247 1.00 95.44 C +ATOM 307 HA GLN A 20 5.468 8.861 3.314 1.00 95.44 H +ATOM 308 C GLN A 20 4.282 7.587 2.106 1.00 95.44 C +ATOM 309 CB GLN A 20 4.903 9.958 1.554 1.00 95.44 C +ATOM 310 HB2 GLN A 20 3.849 10.127 1.771 1.00 95.44 H +ATOM 311 HB3 GLN A 20 5.015 9.853 0.475 1.00 95.44 H +ATOM 312 O GLN A 20 3.563 7.337 3.070 1.00 95.44 O +ATOM 313 CG GLN A 20 5.693 11.178 2.045 1.00 95.44 C +ATOM 314 HG2 GLN A 20 6.764 11.018 1.916 1.00 95.44 H +ATOM 315 HG3 GLN A 20 5.502 11.309 3.110 1.00 95.44 H +ATOM 316 CD GLN A 20 5.303 12.458 1.315 1.00 95.44 C +ATOM 317 NE2 GLN A 20 5.546 13.610 1.901 1.00 95.44 N +ATOM 318 HE21 GLN A 20 5.929 13.630 2.836 1.00 95.44 H +ATOM 319 HE22 GLN A 20 5.157 14.414 1.429 1.00 95.44 H +ATOM 320 OE1 GLN A 20 4.770 12.475 0.220 1.00 95.44 O +ATOM 321 N ALA A 21 4.184 6.931 0.946 1.00 96.57 N +ATOM 322 H ALA A 21 4.784 7.194 0.177 1.00 96.57 H +ATOM 323 CA ALA A 21 3.246 5.832 0.730 1.00 96.57 C +ATOM 324 HA ALA A 21 2.231 6.193 0.892 1.00 96.57 H +ATOM 325 C ALA A 21 3.493 4.671 1.705 1.00 96.57 C +ATOM 326 CB ALA A 21 3.372 5.363 -0.721 1.00 96.57 C +ATOM 327 HB1 ALA A 21 4.329 4.865 -0.877 1.00 96.57 H +ATOM 328 HB2 ALA A 21 2.573 4.659 -0.951 1.00 96.57 H +ATOM 329 HB3 ALA A 21 3.312 6.211 -1.403 1.00 96.57 H +ATOM 330 O ALA A 21 2.559 4.217 2.365 1.00 96.57 O +ATOM 331 N MET A 22 4.758 4.265 1.858 1.00 97.13 N +ATOM 332 H MET A 22 5.461 4.671 1.258 1.00 97.13 H +ATOM 333 CA MET A 22 5.175 3.216 2.791 1.00 97.13 C +ATOM 334 HA MET A 22 4.670 2.285 2.530 1.00 97.13 H +ATOM 335 C MET A 22 4.787 3.549 4.233 1.00 97.13 C +ATOM 336 CB MET A 22 6.695 3.005 2.696 1.00 97.13 C +ATOM 337 HB2 MET A 22 7.203 3.965 2.786 1.00 97.13 H +ATOM 338 HB3 MET A 22 7.017 2.383 3.531 1.00 97.13 H +ATOM 339 O MET A 22 4.191 2.718 4.910 1.00 97.13 O +ATOM 340 CG MET A 22 7.129 2.340 1.384 1.00 97.13 C +ATOM 341 HG2 MET A 22 8.218 2.337 1.335 1.00 97.13 H +ATOM 342 HG3 MET A 22 6.757 2.930 0.547 1.00 97.13 H +ATOM 343 SD MET A 22 6.542 0.646 1.162 1.00 97.13 S +ATOM 344 CE MET A 22 7.575 -0.243 2.357 1.00 97.13 C +ATOM 345 HE1 MET A 22 7.074 -1.163 2.655 1.00 97.13 H +ATOM 346 HE2 MET A 22 7.745 0.358 3.250 1.00 97.13 H +ATOM 347 HE3 MET A 22 8.533 -0.492 1.900 1.00 97.13 H +ATOM 348 N VAL A 23 5.068 4.775 4.690 1.00 96.95 N +ATOM 349 H VAL A 23 5.573 5.404 4.081 1.00 96.95 H +ATOM 350 CA VAL A 23 4.739 5.225 6.054 1.00 96.95 C +ATOM 351 HA VAL A 23 5.115 4.489 6.764 1.00 96.95 H +ATOM 352 C VAL A 23 3.228 5.315 6.282 1.00 96.95 C +ATOM 353 CB VAL A 23 5.419 6.578 6.350 1.00 96.95 C +ATOM 354 HB VAL A 23 5.204 7.273 5.538 1.00 96.95 H +ATOM 355 O VAL A 23 2.756 5.034 7.380 1.00 96.95 O +ATOM 356 CG1 VAL A 23 4.951 7.223 7.665 1.00 96.95 C +ATOM 357 HG11 VAL A 23 3.902 7.509 7.590 1.00 96.95 H +ATOM 358 HG12 VAL A 23 5.081 6.509 8.479 1.00 96.95 H +ATOM 359 HG13 VAL A 23 5.541 8.117 7.865 1.00 96.95 H +ATOM 360 CG2 VAL A 23 6.939 6.408 6.465 1.00 96.95 C +ATOM 361 HG21 VAL A 23 7.340 5.920 5.577 1.00 96.95 H +ATOM 362 HG22 VAL A 23 7.419 7.382 6.568 1.00 96.95 H +ATOM 363 HG23 VAL A 23 7.184 5.792 7.330 1.00 96.95 H +ATOM 364 N LEU A 24 2.452 5.735 5.279 1.00 96.16 N +ATOM 365 H LEU A 24 2.882 5.960 4.393 1.00 96.16 H +ATOM 366 CA LEU A 24 0.993 5.804 5.396 1.00 96.16 C +ATOM 367 HA LEU A 24 0.731 6.310 6.325 1.00 96.16 H +ATOM 368 C LEU A 24 0.374 4.409 5.482 1.00 96.16 C +ATOM 369 CB LEU A 24 0.405 6.574 4.204 1.00 96.16 C +ATOM 370 HB2 LEU A 24 0.844 6.176 3.290 1.00 96.16 H +ATOM 371 HB3 LEU A 24 -0.670 6.395 4.157 1.00 96.16 H +ATOM 372 O LEU A 24 -0.495 4.193 6.323 1.00 96.16 O +ATOM 373 CG LEU A 24 0.645 8.089 4.274 1.00 96.16 C +ATOM 374 HG LEU A 24 1.686 8.291 4.526 1.00 96.16 H +ATOM 375 CD1 LEU A 24 0.350 8.712 2.911 1.00 96.16 C +ATOM 376 HD11 LEU A 24 0.685 9.749 2.915 1.00 96.16 H +ATOM 377 HD12 LEU A 24 0.914 8.186 2.142 1.00 96.16 H +ATOM 378 HD13 LEU A 24 -0.715 8.648 2.684 1.00 96.16 H +ATOM 379 CD2 LEU A 24 -0.240 8.773 5.322 1.00 96.16 C +ATOM 380 HD21 LEU A 24 -1.291 8.597 5.093 1.00 96.16 H +ATOM 381 HD22 LEU A 24 -0.038 9.844 5.329 1.00 96.16 H +ATOM 382 HD23 LEU A 24 -0.022 8.371 6.312 1.00 96.16 H +ATOM 383 N ALA A 25 0.826 3.476 4.643 1.00 97.00 N +ATOM 384 H ALA A 25 1.539 3.716 3.969 1.00 97.00 H +ATOM 385 CA ALA A 25 0.323 2.110 4.660 1.00 97.00 C +ATOM 386 HA ALA A 25 -0.766 2.140 4.696 1.00 97.00 H +ATOM 387 C ALA A 25 0.766 1.338 5.902 1.00 97.00 C +ATOM 388 CB ALA A 25 0.731 1.407 3.369 1.00 97.00 C +ATOM 389 HB1 ALA A 25 0.467 0.351 3.424 1.00 97.00 H +ATOM 390 HB2 ALA A 25 1.803 1.509 3.204 1.00 97.00 H +ATOM 391 HB3 ALA A 25 0.178 1.859 2.545 1.00 97.00 H +ATOM 392 O ALA A 25 -0.056 0.648 6.490 1.00 97.00 O +ATOM 393 N SER A 26 2.011 1.495 6.362 1.00 96.77 N +ATOM 394 H SER A 26 2.669 2.070 5.855 1.00 96.77 H +ATOM 395 CA SER A 26 2.489 0.785 7.557 1.00 96.77 C +ATOM 396 HA SER A 26 2.286 -0.278 7.429 1.00 96.77 H +ATOM 397 C SER A 26 1.780 1.215 8.843 1.00 96.77 C +ATOM 398 CB SER A 26 3.999 0.955 7.720 1.00 96.77 C +ATOM 399 HB2 SER A 26 4.334 0.314 8.535 1.00 96.77 H +ATOM 400 HB3 SER A 26 4.496 0.639 6.803 1.00 96.77 H +ATOM 401 O SER A 26 1.735 0.454 9.801 1.00 96.77 O +ATOM 402 OG SER A 26 4.354 2.296 8.012 1.00 96.77 O +ATOM 403 HG SER A 26 5.291 2.296 8.221 1.00 96.77 H +ATOM 404 N LYS A 27 1.207 2.423 8.865 1.00 96.25 N +ATOM 405 H LYS A 27 1.344 3.011 8.055 1.00 96.25 H +ATOM 406 CA LYS A 27 0.398 2.934 9.980 1.00 96.25 C +ATOM 407 HA LYS A 27 0.768 2.508 10.913 1.00 96.25 H +ATOM 408 C LYS A 27 -1.074 2.525 9.914 1.00 96.25 C +ATOM 409 CB LYS A 27 0.526 4.460 10.033 1.00 96.25 C +ATOM 410 HB2 LYS A 27 0.338 4.874 9.043 1.00 96.25 H +ATOM 411 HB3 LYS A 27 -0.219 4.861 10.721 1.00 96.25 H +ATOM 412 O LYS A 27 -1.813 2.820 10.851 1.00 96.25 O +ATOM 413 CG LYS A 27 1.910 4.887 10.529 1.00 96.25 C +ATOM 414 HG2 LYS A 27 2.051 4.514 11.543 1.00 96.25 H +ATOM 415 HG3 LYS A 27 2.689 4.467 9.893 1.00 96.25 H +ATOM 416 CD LYS A 27 2.013 6.413 10.532 1.00 96.25 C +ATOM 417 HD2 LYS A 27 1.226 6.821 11.166 1.00 96.25 H +ATOM 418 HD3 LYS A 27 1.897 6.785 9.514 1.00 96.25 H +ATOM 419 CE LYS A 27 3.384 6.802 11.084 1.00 96.25 C +ATOM 420 HE2 LYS A 27 3.518 6.303 12.044 1.00 96.25 H +ATOM 421 HE3 LYS A 27 4.150 6.419 10.409 1.00 96.25 H +ATOM 422 NZ LYS A 27 3.510 8.268 11.251 1.00 96.25 N +ATOM 423 HZ1 LYS A 27 3.400 8.733 10.361 1.00 96.25 H +ATOM 424 HZ2 LYS A 27 4.418 8.491 11.635 1.00 96.25 H +ATOM 425 HZ3 LYS A 27 2.807 8.599 11.897 1.00 96.25 H +ATOM 426 N ALA A 28 -1.529 1.922 8.816 1.00 95.58 N +ATOM 427 H ALA A 28 -0.873 1.612 8.114 1.00 95.58 H +ATOM 428 CA ALA A 28 -2.913 1.489 8.703 1.00 95.58 C +ATOM 429 HA ALA A 28 -3.551 2.294 9.067 1.00 95.58 H +ATOM 430 C ALA A 28 -3.165 0.263 9.592 1.00 95.58 C +ATOM 431 CB ALA A 28 -3.270 1.258 7.232 1.00 95.58 C +ATOM 432 HB1 ALA A 28 -2.641 0.471 6.816 1.00 95.58 H +ATOM 433 HB2 ALA A 28 -4.314 0.960 7.145 1.00 95.58 H +ATOM 434 HB3 ALA A 28 -3.109 2.179 6.671 1.00 95.58 H +ATOM 435 O ALA A 28 -2.328 -0.633 9.700 1.00 95.58 O +ATOM 436 N ASN A 29 -4.336 0.226 10.232 1.00 94.67 N +ATOM 437 H ASN A 29 -4.999 0.976 10.097 1.00 94.67 H +ATOM 438 CA ASN A 29 -4.697 -0.875 11.115 1.00 94.67 C +ATOM 439 HA ASN A 29 -3.924 -0.956 11.880 1.00 94.67 H +ATOM 440 C ASN A 29 -4.742 -2.207 10.350 1.00 94.67 C +ATOM 441 CB ASN A 29 -6.036 -0.574 11.804 1.00 94.67 C +ATOM 442 HB2 ASN A 29 -6.834 -0.572 11.061 1.00 94.67 H +ATOM 443 HB3 ASN A 29 -5.996 0.401 12.289 1.00 94.67 H +ATOM 444 O ASN A 29 -5.200 -2.258 9.207 1.00 94.67 O +ATOM 445 CG ASN A 29 -6.339 -1.609 12.873 1.00 94.67 C +ATOM 446 ND2 ASN A 29 -7.567 -2.049 12.994 1.00 94.67 N +ATOM 447 HD21 ASN A 29 -8.292 -1.760 12.352 1.00 94.67 H +ATOM 448 HD22 ASN A 29 -7.717 -2.757 13.698 1.00 94.67 H +ATOM 449 OD1 ASN A 29 -5.463 -2.047 13.598 1.00 94.67 O +ATOM 450 N GLY A 30 -4.274 -3.276 10.993 1.00 96.26 N +ATOM 451 H GLY A 30 -3.970 -3.162 11.949 1.00 96.26 H +ATOM 452 CA GLY A 30 -4.271 -4.624 10.427 1.00 96.26 C +ATOM 453 HA2 GLY A 30 -4.203 -5.352 11.236 1.00 96.26 H +ATOM 454 HA3 GLY A 30 -5.218 -4.780 9.912 1.00 96.26 H +ATOM 455 C GLY A 30 -3.150 -4.918 9.425 1.00 96.26 C +ATOM 456 O GLY A 30 -3.014 -6.067 9.008 1.00 96.26 O +ATOM 457 N VAL A 31 -2.334 -3.931 9.037 1.00 97.05 N +ATOM 458 H VAL A 31 -2.465 -3.008 9.425 1.00 97.05 H +ATOM 459 CA VAL A 31 -1.211 -4.133 8.108 1.00 97.05 C +ATOM 460 HA VAL A 31 -1.559 -4.750 7.279 1.00 97.05 H +ATOM 461 C VAL A 31 -0.070 -4.886 8.790 1.00 97.05 C +ATOM 462 CB VAL A 31 -0.738 -2.792 7.517 1.00 97.05 C +ATOM 463 HB VAL A 31 -0.521 -2.086 8.318 1.00 97.05 H +ATOM 464 O VAL A 31 0.426 -4.469 9.831 1.00 97.05 O +ATOM 465 CG1 VAL A 31 0.523 -2.948 6.661 1.00 97.05 C +ATOM 466 HG11 VAL A 31 1.371 -3.224 7.289 1.00 97.05 H +ATOM 467 HG12 VAL A 31 0.373 -3.708 5.894 1.00 97.05 H +ATOM 468 HG13 VAL A 31 0.748 -1.990 6.193 1.00 97.05 H +ATOM 469 CG2 VAL A 31 -1.858 -2.229 6.631 1.00 97.05 C +ATOM 470 HG21 VAL A 31 -2.195 -2.989 5.926 1.00 97.05 H +ATOM 471 HG22 VAL A 31 -1.500 -1.364 6.072 1.00 97.05 H +ATOM 472 HG23 VAL A 31 -2.701 -1.926 7.252 1.00 97.05 H +ATOM 473 N GLY A 32 0.363 -5.990 8.178 1.00 95.97 N +ATOM 474 H GLY A 32 -0.093 -6.262 7.319 1.00 95.97 H +ATOM 475 CA GLY A 32 1.516 -6.786 8.609 1.00 95.97 C +ATOM 476 HA2 GLY A 32 1.260 -7.842 8.528 1.00 95.97 H +ATOM 477 HA3 GLY A 32 1.755 -6.571 9.650 1.00 95.97 H +ATOM 478 C GLY A 32 2.772 -6.542 7.769 1.00 95.97 C +ATOM 479 O GLY A 32 3.879 -6.577 8.297 1.00 95.97 O +ATOM 480 N SER A 33 2.625 -6.262 6.471 1.00 97.03 N +ATOM 481 H SER A 33 1.699 -6.280 6.067 1.00 97.03 H +ATOM 482 CA SER A 33 3.752 -5.899 5.608 1.00 97.03 C +ATOM 483 HA SER A 33 4.494 -5.387 6.221 1.00 97.03 H +ATOM 484 C SER A 33 3.345 -4.936 4.501 1.00 97.03 C +ATOM 485 CB SER A 33 4.433 -7.142 5.019 1.00 97.03 C +ATOM 486 HB2 SER A 33 4.717 -7.811 5.832 1.00 97.03 H +ATOM 487 HB3 SER A 33 5.340 -6.841 4.495 1.00 97.03 H +ATOM 488 O SER A 33 2.203 -4.938 4.038 1.00 97.03 O +ATOM 489 OG SER A 33 3.594 -7.838 4.122 1.00 97.03 O +ATOM 490 HG SER A 33 3.403 -7.284 3.362 1.00 97.03 H +ATOM 491 N VAL A 34 4.311 -4.139 4.051 1.00 97.76 N +ATOM 492 H VAL A 34 5.239 -4.232 4.438 1.00 97.76 H +ATOM 493 CA VAL A 34 4.158 -3.191 2.946 1.00 97.76 C +ATOM 494 HA VAL A 34 3.265 -3.457 2.380 1.00 97.76 H +ATOM 495 C VAL A 34 5.376 -3.304 2.032 1.00 97.76 C +ATOM 496 CB VAL A 34 3.989 -1.748 3.458 1.00 97.76 C +ATOM 497 HB VAL A 34 4.924 -1.414 3.908 1.00 97.76 H +ATOM 498 O VAL A 34 6.492 -3.478 2.521 1.00 97.76 O +ATOM 499 CG1 VAL A 34 3.615 -0.785 2.332 1.00 97.76 C +ATOM 500 HG11 VAL A 34 4.320 -0.862 1.504 1.00 97.76 H +ATOM 501 HG12 VAL A 34 2.622 -1.018 1.948 1.00 97.76 H +ATOM 502 HG13 VAL A 34 3.635 0.238 2.708 1.00 97.76 H +ATOM 503 CG2 VAL A 34 2.878 -1.620 4.504 1.00 97.76 C +ATOM 504 HG21 VAL A 34 1.945 -2.014 4.102 1.00 97.76 H +ATOM 505 HG22 VAL A 34 2.744 -0.573 4.774 1.00 97.76 H +ATOM 506 HG23 VAL A 34 3.144 -2.171 5.407 1.00 97.76 H +ATOM 507 N GLY A 35 5.185 -3.179 0.722 1.00 97.46 N +ATOM 508 H GLY A 35 4.238 -3.095 0.382 1.00 97.46 H +ATOM 509 CA GLY A 35 6.265 -3.138 -0.260 1.00 97.46 C +ATOM 510 HA2 GLY A 35 7.165 -2.733 0.203 1.00 97.46 H +ATOM 511 HA3 GLY A 35 6.482 -4.150 -0.604 1.00 97.46 H +ATOM 512 C GLY A 35 5.915 -2.280 -1.472 1.00 97.46 C +ATOM 513 O GLY A 35 4.745 -2.072 -1.779 1.00 97.46 O +ATOM 514 N ILE A 36 6.938 -1.782 -2.169 1.00 97.07 N +ATOM 515 H ILE A 36 7.874 -2.046 -1.898 1.00 97.07 H +ATOM 516 CA ILE A 36 6.771 -1.114 -3.466 1.00 97.07 C +ATOM 517 HA ILE A 36 5.733 -0.797 -3.569 1.00 97.07 H +ATOM 518 C ILE A 36 7.055 -2.124 -4.575 1.00 97.07 C +ATOM 519 CB ILE A 36 7.659 0.142 -3.593 1.00 97.07 C +ATOM 520 HB ILE A 36 8.700 -0.170 -3.501 1.00 97.07 H +ATOM 521 O ILE A 36 8.123 -2.734 -4.593 1.00 97.07 O +ATOM 522 CG1 ILE A 36 7.396 1.186 -2.486 1.00 97.07 C +ATOM 523 HG12 ILE A 36 7.555 0.720 -1.514 1.00 97.07 H +ATOM 524 HG13 ILE A 36 8.129 1.987 -2.581 1.00 97.07 H +ATOM 525 CG2 ILE A 36 7.488 0.793 -4.979 1.00 97.07 C +ATOM 526 HG21 ILE A 36 6.432 0.954 -5.194 1.00 97.07 H +ATOM 527 HG22 ILE A 36 7.895 0.141 -5.752 1.00 97.07 H +ATOM 528 HG23 ILE A 36 8.008 1.750 -5.016 1.00 97.07 H +ATOM 529 CD1 ILE A 36 5.999 1.816 -2.509 1.00 97.07 C +ATOM 530 HD11 ILE A 36 5.234 1.040 -2.471 1.00 97.07 H +ATOM 531 HD12 ILE A 36 5.884 2.476 -1.649 1.00 97.07 H +ATOM 532 HD13 ILE A 36 5.868 2.405 -3.417 1.00 97.07 H +ATOM 533 N THR A 37 6.115 -2.269 -5.501 1.00 95.62 N +ATOM 534 H THR A 37 5.280 -1.705 -5.426 1.00 95.62 H +ATOM 535 CA THR A 37 6.155 -3.219 -6.618 1.00 95.62 C +ATOM 536 HA THR A 37 7.170 -3.600 -6.731 1.00 95.62 H +ATOM 537 C THR A 37 5.794 -2.526 -7.942 1.00 95.62 C +ATOM 538 CB THR A 37 5.238 -4.427 -6.333 1.00 95.62 C +ATOM 539 HB THR A 37 5.319 -5.137 -7.156 1.00 95.62 H +ATOM 540 O THR A 37 5.604 -1.304 -7.992 1.00 95.62 O +ATOM 541 CG2 THR A 37 5.592 -5.162 -5.039 1.00 95.62 C +ATOM 542 HG21 THR A 37 5.003 -6.076 -4.963 1.00 95.62 H +ATOM 543 HG22 THR A 37 5.377 -4.534 -4.174 1.00 95.62 H +ATOM 544 HG23 THR A 37 6.650 -5.424 -5.040 1.00 95.62 H +ATOM 545 OG1 THR A 37 3.898 -4.021 -6.215 1.00 95.62 O +ATOM 546 HG1 THR A 37 3.384 -4.794 -5.967 1.00 95.62 H +ATOM 547 N GLY A 38 5.740 -3.305 -9.027 1.00 92.72 N +ATOM 548 H GLY A 38 5.909 -4.294 -8.915 1.00 92.72 H +ATOM 549 CA GLY A 38 5.496 -2.826 -10.389 1.00 92.72 C +ATOM 550 HA2 GLY A 38 4.730 -2.050 -10.379 1.00 92.72 H +ATOM 551 HA3 GLY A 38 5.126 -3.657 -10.990 1.00 92.72 H +ATOM 552 C GLY A 38 6.749 -2.257 -11.058 1.00 92.72 C +ATOM 553 O GLY A 38 7.615 -1.680 -10.396 1.00 92.72 O +ATOM 554 N ASP A 39 6.834 -2.384 -12.382 1.00 91.10 N +ATOM 555 H ASP A 39 6.169 -2.977 -12.859 1.00 91.10 H +ATOM 556 CA ASP A 39 8.007 -1.965 -13.169 1.00 91.10 C +ATOM 557 HA ASP A 39 8.879 -2.527 -12.836 1.00 91.10 H +ATOM 558 C ASP A 39 8.319 -0.470 -13.003 1.00 91.10 C +ATOM 559 CB ASP A 39 7.762 -2.286 -14.654 1.00 91.10 C +ATOM 560 HB2 ASP A 39 6.894 -1.723 -14.998 1.00 91.10 H +ATOM 561 HB3 ASP A 39 8.627 -1.959 -15.230 1.00 91.10 H +ATOM 562 O ASP A 39 9.477 -0.054 -12.953 1.00 91.10 O +ATOM 563 CG ASP A 39 7.539 -3.778 -14.918 1.00 91.10 C +ATOM 564 OD1 ASP A 39 8.030 -4.592 -14.105 1.00 91.10 O +ATOM 565 OD2 ASP A 39 6.819 -4.075 -15.893 1.00 91.10 O +ATOM 566 N LEU A 40 7.274 0.345 -12.824 1.00 92.58 N +ATOM 567 H LEU A 40 6.355 -0.071 -12.861 1.00 92.58 H +ATOM 568 CA LEU A 40 7.379 1.789 -12.601 1.00 92.58 C +ATOM 569 HA LEU A 40 8.277 2.149 -13.102 1.00 92.58 H +ATOM 570 C LEU A 40 7.554 2.171 -11.118 1.00 92.58 C +ATOM 571 CB LEU A 40 6.163 2.478 -13.243 1.00 92.58 C +ATOM 572 HB2 LEU A 40 6.238 3.552 -13.070 1.00 92.58 H +ATOM 573 HB3 LEU A 40 5.263 2.121 -12.743 1.00 92.58 H +ATOM 574 O LEU A 40 7.670 3.358 -10.793 1.00 92.58 O +ATOM 575 CG LEU A 40 5.999 2.236 -14.757 1.00 92.58 C +ATOM 576 HG LEU A 40 5.835 1.175 -14.942 1.00 92.58 H +ATOM 577 CD1 LEU A 40 4.771 3.000 -15.254 1.00 92.58 C +ATOM 578 HD11 LEU A 40 4.915 4.072 -15.124 1.00 92.58 H +ATOM 579 HD12 LEU A 40 4.606 2.779 -16.309 1.00 92.58 H +ATOM 580 HD13 LEU A 40 3.895 2.684 -14.686 1.00 92.58 H +ATOM 581 CD2 LEU A 40 7.215 2.698 -15.563 1.00 92.58 C +ATOM 582 HD21 LEU A 40 7.434 3.745 -15.353 1.00 92.58 H +ATOM 583 HD22 LEU A 40 8.080 2.083 -15.316 1.00 92.58 H +ATOM 584 HD23 LEU A 40 7.015 2.575 -16.627 1.00 92.58 H +ATOM 585 N LYS A 41 7.598 1.189 -10.203 1.00 93.92 N +ATOM 586 H LYS A 41 7.566 0.238 -10.542 1.00 93.92 H +ATOM 587 CA LYS A 41 7.618 1.392 -8.741 1.00 93.92 C +ATOM 588 HA LYS A 41 7.402 0.427 -8.283 1.00 93.92 H +ATOM 589 C LYS A 41 6.496 2.326 -8.275 1.00 93.92 C +ATOM 590 CB LYS A 41 9.012 1.841 -8.277 1.00 93.92 C +ATOM 591 HB2 LYS A 41 8.991 2.000 -7.199 1.00 93.92 H +ATOM 592 HB3 LYS A 41 9.265 2.783 -8.763 1.00 93.92 H +ATOM 593 O LYS A 41 6.720 3.229 -7.459 1.00 93.92 O +ATOM 594 CG LYS A 41 10.101 0.812 -8.588 1.00 93.92 C +ATOM 595 HG2 LYS A 41 10.172 0.663 -9.666 1.00 93.92 H +ATOM 596 HG3 LYS A 41 9.841 -0.135 -8.116 1.00 93.92 H +ATOM 597 CD LYS A 41 11.456 1.296 -8.058 1.00 93.92 C +ATOM 598 HD2 LYS A 41 11.724 2.231 -8.550 1.00 93.92 H +ATOM 599 HD3 LYS A 41 11.389 1.447 -6.980 1.00 93.92 H +ATOM 600 CE LYS A 41 12.501 0.222 -8.369 1.00 93.92 C +ATOM 601 HE2 LYS A 41 12.172 -0.718 -7.926 1.00 93.92 H +ATOM 602 HE3 LYS A 41 12.526 0.069 -9.448 1.00 93.92 H +ATOM 603 NZ LYS A 41 13.853 0.576 -7.871 1.00 93.92 N +ATOM 604 HZ1 LYS A 41 14.187 1.420 -8.313 1.00 93.92 H +ATOM 605 HZ2 LYS A 41 13.853 0.678 -6.866 1.00 93.92 H +ATOM 606 HZ3 LYS A 41 14.496 -0.166 -8.106 1.00 93.92 H +ATOM 607 N ASP A 42 5.319 2.131 -8.860 1.00 94.66 N +ATOM 608 H ASP A 42 5.257 1.392 -9.547 1.00 94.66 H +ATOM 609 CA ASP A 42 4.092 2.907 -8.681 1.00 94.66 C +ATOM 610 HA ASP A 42 4.301 3.753 -8.027 1.00 94.66 H +ATOM 611 C ASP A 42 2.974 2.090 -8.011 1.00 94.66 C +ATOM 612 CB ASP A 42 3.649 3.483 -10.036 1.00 94.66 C +ATOM 613 HB2 ASP A 42 2.855 4.209 -9.858 1.00 94.66 H +ATOM 614 HB3 ASP A 42 4.486 4.019 -10.484 1.00 94.66 H +ATOM 615 O ASP A 42 1.877 2.607 -7.791 1.00 94.66 O +ATOM 616 CG ASP A 42 3.141 2.431 -11.031 1.00 94.66 C +ATOM 617 OD1 ASP A 42 3.539 1.250 -10.915 1.00 94.66 O +ATOM 618 OD2 ASP A 42 2.362 2.824 -11.929 1.00 94.66 O +ATOM 619 N GLN A 43 3.258 0.840 -7.635 1.00 96.83 N +ATOM 620 H GLN A 43 4.159 0.449 -7.871 1.00 96.83 H +ATOM 621 CA GLN A 43 2.338 -0.022 -6.905 1.00 96.83 C +ATOM 622 HA GLN A 43 1.360 0.457 -6.866 1.00 96.83 H +ATOM 623 C GLN A 43 2.808 -0.213 -5.466 1.00 96.83 C +ATOM 624 CB GLN A 43 2.144 -1.354 -7.633 1.00 96.83 C +ATOM 625 HB2 GLN A 43 3.096 -1.882 -7.696 1.00 96.83 H +ATOM 626 HB3 GLN A 43 1.448 -1.966 -7.058 1.00 96.83 H +ATOM 627 O GLN A 43 3.992 -0.398 -5.187 1.00 96.83 O +ATOM 628 CG GLN A 43 1.581 -1.151 -9.046 1.00 96.83 C +ATOM 629 HG2 GLN A 43 2.271 -0.538 -9.626 1.00 96.83 H +ATOM 630 HG3 GLN A 43 0.627 -0.628 -8.987 1.00 96.83 H +ATOM 631 CD GLN A 43 1.376 -2.454 -9.803 1.00 96.83 C +ATOM 632 NE2 GLN A 43 1.261 -2.390 -11.110 1.00 96.83 N +ATOM 633 HE21 GLN A 43 1.175 -3.274 -11.590 1.00 96.83 H +ATOM 634 HE22 GLN A 43 1.448 -1.518 -11.584 1.00 96.83 H +ATOM 635 OE1 GLN A 43 1.301 -3.541 -9.256 1.00 96.83 O +ATOM 636 N LEU A 44 1.856 -0.140 -4.546 1.00 97.26 N +ATOM 637 H LEU A 44 0.918 0.054 -4.866 1.00 97.26 H +ATOM 638 CA LEU A 44 2.018 -0.379 -3.125 1.00 97.26 C +ATOM 639 HA LEU A 44 3.078 -0.471 -2.888 1.00 97.26 H +ATOM 640 C LEU A 44 1.316 -1.692 -2.794 1.00 97.26 C +ATOM 641 CB LEU A 44 1.431 0.820 -2.369 1.00 97.26 C +ATOM 642 HB2 LEU A 44 0.353 0.838 -2.530 1.00 97.26 H +ATOM 643 HB3 LEU A 44 1.841 1.736 -2.794 1.00 97.26 H +ATOM 644 O LEU A 44 0.089 -1.782 -2.853 1.00 97.26 O +ATOM 645 CG LEU A 44 1.707 0.815 -0.857 1.00 97.26 C +ATOM 646 HG LEU A 44 1.404 -0.132 -0.410 1.00 97.26 H +ATOM 647 CD1 LEU A 44 3.181 1.074 -0.553 1.00 97.26 C +ATOM 648 HD11 LEU A 44 3.775 0.213 -0.858 1.00 97.26 H +ATOM 649 HD12 LEU A 44 3.324 1.223 0.517 1.00 97.26 H +ATOM 650 HD13 LEU A 44 3.516 1.968 -1.079 1.00 97.26 H +ATOM 651 CD2 LEU A 44 0.898 1.948 -0.229 1.00 97.26 C +ATOM 652 HD21 LEU A 44 1.286 2.175 0.763 1.00 97.26 H +ATOM 653 HD22 LEU A 44 0.974 2.849 -0.839 1.00 97.26 H +ATOM 654 HD23 LEU A 44 -0.146 1.642 -0.160 1.00 97.26 H +ATOM 655 N GLU A 45 2.101 -2.706 -2.471 1.00 97.84 N +ATOM 656 H GLU A 45 3.096 -2.541 -2.415 1.00 97.84 H +ATOM 657 CA GLU A 45 1.613 -3.983 -1.977 1.00 97.84 C +ATOM 658 HA GLU A 45 0.636 -4.183 -2.417 1.00 97.84 H +ATOM 659 C GLU A 45 1.463 -3.911 -0.459 1.00 97.84 C +ATOM 660 CB GLU A 45 2.558 -5.102 -2.422 1.00 97.84 C +ATOM 661 HB2 GLU A 45 3.551 -4.944 -2.001 1.00 97.84 H +ATOM 662 HB3 GLU A 45 2.630 -5.074 -3.509 1.00 97.84 H +ATOM 663 O GLU A 45 2.394 -3.528 0.246 1.00 97.84 O +ATOM 664 CG GLU A 45 2.027 -6.470 -1.985 1.00 97.84 C +ATOM 665 HG2 GLU A 45 2.083 -6.551 -0.900 1.00 97.84 H +ATOM 666 HG3 GLU A 45 0.980 -6.555 -2.275 1.00 97.84 H +ATOM 667 CD GLU A 45 2.806 -7.615 -2.633 1.00 97.84 C +ATOM 668 OE1 GLU A 45 3.220 -8.550 -1.913 1.00 97.84 O +ATOM 669 OE2 GLU A 45 2.833 -7.696 -3.883 1.00 97.84 O +ATOM 670 N VAL A 46 0.289 -4.277 0.044 1.00 97.91 N +ATOM 671 H VAL A 46 -0.436 -4.553 -0.602 1.00 97.91 H +ATOM 672 CA VAL A 46 -0.051 -4.265 1.465 1.00 97.91 C +ATOM 673 HA VAL A 46 0.854 -4.113 2.054 1.00 97.91 H +ATOM 674 C VAL A 46 -0.642 -5.615 1.827 1.00 97.91 C +ATOM 675 CB VAL A 46 -1.032 -3.125 1.794 1.00 97.91 C +ATOM 676 HB VAL A 46 -1.995 -3.312 1.318 1.00 97.91 H +ATOM 677 O VAL A 46 -1.600 -6.058 1.199 1.00 97.91 O +ATOM 678 CG1 VAL A 46 -1.245 -3.015 3.305 1.00 97.91 C +ATOM 679 HG11 VAL A 46 -0.309 -2.743 3.792 1.00 97.91 H +ATOM 680 HG12 VAL A 46 -1.996 -2.254 3.517 1.00 97.91 H +ATOM 681 HG13 VAL A 46 -1.589 -3.967 3.711 1.00 97.91 H +ATOM 682 CG2 VAL A 46 -0.499 -1.772 1.302 1.00 97.91 C +ATOM 683 HG21 VAL A 46 0.534 -1.650 1.626 1.00 97.91 H +ATOM 684 HG22 VAL A 46 -1.095 -0.954 1.707 1.00 97.91 H +ATOM 685 HG23 VAL A 46 -0.541 -1.732 0.214 1.00 97.91 H +ATOM 686 N VAL A 47 -0.086 -6.269 2.843 1.00 97.43 N +ATOM 687 H VAL A 47 0.682 -5.834 3.333 1.00 97.43 H +ATOM 688 CA VAL A 47 -0.570 -7.566 3.328 1.00 97.43 C +ATOM 689 HA VAL A 47 -1.476 -7.819 2.778 1.00 97.43 H +ATOM 690 C VAL A 47 -0.927 -7.454 4.799 1.00 97.43 C +ATOM 691 CB VAL A 47 0.441 -8.700 3.089 1.00 97.43 C +ATOM 692 HB VAL A 47 1.300 -8.536 3.739 1.00 97.43 H +ATOM 693 O VAL A 47 -0.175 -6.866 5.576 1.00 97.43 O +ATOM 694 CG1 VAL A 47 -0.140 -10.075 3.444 1.00 97.43 C +ATOM 695 HG11 VAL A 47 -1.030 -10.267 2.844 1.00 97.43 H +ATOM 696 HG12 VAL A 47 0.602 -10.845 3.237 1.00 97.43 H +ATOM 697 HG13 VAL A 47 -0.397 -10.110 4.502 1.00 97.43 H +ATOM 698 CG2 VAL A 47 0.924 -8.750 1.633 1.00 97.43 C +ATOM 699 HG21 VAL A 47 0.071 -8.849 0.961 1.00 97.43 H +ATOM 700 HG22 VAL A 47 1.602 -9.591 1.489 1.00 97.43 H +ATOM 701 HG23 VAL A 47 1.466 -7.838 1.383 1.00 97.43 H +ATOM 702 N GLY A 48 -2.059 -8.023 5.202 1.00 97.27 N +ATOM 703 H GLY A 48 -2.662 -8.457 4.518 1.00 97.27 H +ATOM 704 CA GLY A 48 -2.517 -7.943 6.586 1.00 97.27 C +ATOM 705 HA2 GLY A 48 -2.548 -6.891 6.870 1.00 97.27 H +ATOM 706 HA3 GLY A 48 -1.806 -8.447 7.240 1.00 97.27 H +ATOM 707 C GLY A 48 -3.899 -8.539 6.820 1.00 97.27 C +ATOM 708 O GLY A 48 -4.493 -9.120 5.918 1.00 97.27 O +ATOM 709 N VAL A 49 -4.406 -8.412 8.043 1.00 96.77 N +ATOM 710 H VAL A 49 -3.910 -7.820 8.695 1.00 96.77 H +ATOM 711 CA VAL A 49 -5.706 -8.949 8.471 1.00 96.77 C +ATOM 712 HA VAL A 49 -6.208 -9.422 7.627 1.00 96.77 H +ATOM 713 C VAL A 49 -6.575 -7.800 8.964 1.00 96.77 C +ATOM 714 CB VAL A 49 -5.541 -10.010 9.578 1.00 96.77 C +ATOM 715 HB VAL A 49 -4.986 -9.579 10.411 1.00 96.77 H +ATOM 716 O VAL A 49 -6.172 -7.061 9.855 1.00 96.77 O +ATOM 717 CG1 VAL A 49 -6.908 -10.484 10.092 1.00 96.77 C +ATOM 718 HG11 VAL A 49 -7.388 -9.690 10.664 1.00 96.77 H +ATOM 719 HG12 VAL A 49 -6.775 -11.346 10.747 1.00 96.77 H +ATOM 720 HG13 VAL A 49 -7.532 -10.764 9.244 1.00 96.77 H +ATOM 721 CG2 VAL A 49 -4.781 -11.244 9.080 1.00 96.77 C +ATOM 722 HG21 VAL A 49 -5.379 -11.777 8.341 1.00 96.77 H +ATOM 723 HG22 VAL A 49 -3.823 -10.957 8.646 1.00 96.77 H +ATOM 724 HG23 VAL A 49 -4.589 -11.916 9.916 1.00 96.77 H +ATOM 725 N GLY A 50 -7.786 -7.670 8.417 1.00 95.41 N +ATOM 726 H GLY A 50 -8.053 -8.294 7.669 1.00 95.41 H +ATOM 727 CA GLY A 50 -8.721 -6.621 8.842 1.00 95.41 C +ATOM 728 HA2 GLY A 50 -9.698 -6.816 8.401 1.00 95.41 H +ATOM 729 HA3 GLY A 50 -8.817 -6.635 9.927 1.00 95.41 H +ATOM 730 C GLY A 50 -8.294 -5.210 8.422 1.00 95.41 C +ATOM 731 O GLY A 50 -8.538 -4.254 9.154 1.00 95.41 O +ATOM 732 N ILE A 51 -7.646 -5.084 7.260 1.00 95.61 N +ATOM 733 H ILE A 51 -7.508 -5.907 6.691 1.00 95.61 H +ATOM 734 CA ILE A 51 -7.258 -3.789 6.697 1.00 95.61 C +ATOM 735 HA ILE A 51 -6.768 -3.205 7.476 1.00 95.61 H +ATOM 736 C ILE A 51 -8.518 -3.041 6.252 1.00 95.61 C +ATOM 737 CB ILE A 51 -6.263 -3.958 5.523 1.00 95.61 C +ATOM 738 HB ILE A 51 -6.738 -4.568 4.754 1.00 95.61 H +ATOM 739 O ILE A 51 -9.272 -3.524 5.406 1.00 95.61 O +ATOM 740 CG1 ILE A 51 -4.973 -4.672 5.992 1.00 95.61 C +ATOM 741 HG12 ILE A 51 -5.221 -5.564 6.566 1.00 95.61 H +ATOM 742 HG13 ILE A 51 -4.413 -4.005 6.647 1.00 95.61 H +ATOM 743 CG2 ILE A 51 -5.917 -2.580 4.915 1.00 95.61 C +ATOM 744 HG21 ILE A 51 -5.229 -2.682 4.076 1.00 95.61 H +ATOM 745 HG22 ILE A 51 -5.462 -1.943 5.674 1.00 95.61 H +ATOM 746 HG23 ILE A 51 -6.813 -2.095 4.528 1.00 95.61 H +ATOM 747 CD1 ILE A 51 -4.069 -5.122 4.839 1.00 95.61 C +ATOM 748 HD11 ILE A 51 -3.805 -4.281 4.198 1.00 95.61 H +ATOM 749 HD12 ILE A 51 -4.568 -5.892 4.251 1.00 95.61 H +ATOM 750 HD13 ILE A 51 -3.140 -5.521 5.248 1.00 95.61 H +ATOM 751 N ASP A 52 -8.709 -1.820 6.751 1.00 95.43 N +ATOM 752 H ASP A 52 -8.094 -1.495 7.484 1.00 95.43 H +ATOM 753 CA ASP A 52 -9.689 -0.894 6.182 1.00 95.43 C +ATOM 754 HA ASP A 52 -10.599 -1.447 5.950 1.00 95.43 H +ATOM 755 C ASP A 52 -9.143 -0.318 4.864 1.00 95.43 C +ATOM 756 CB ASP A 52 -10.083 0.181 7.202 1.00 95.43 C +ATOM 757 HB2 ASP A 52 -9.207 0.776 7.459 1.00 95.43 H +ATOM 758 HB3 ASP A 52 -10.434 -0.312 8.108 1.00 95.43 H +ATOM 759 O ASP A 52 -8.459 0.712 4.824 1.00 95.43 O +ATOM 760 CG ASP A 52 -11.195 1.109 6.688 1.00 95.43 C +ATOM 761 OD1 ASP A 52 -11.452 1.147 5.457 1.00 95.43 O +ATOM 762 OD2 ASP A 52 -11.726 1.869 7.522 1.00 95.43 O +ATOM 763 N ILE A 53 -9.425 -1.028 3.769 1.00 94.99 N +ATOM 764 H ILE A 53 -9.885 -1.916 3.914 1.00 94.99 H +ATOM 765 CA ILE A 53 -8.941 -0.695 2.423 1.00 94.99 C +ATOM 766 HA ILE A 53 -7.852 -0.656 2.459 1.00 94.99 H +ATOM 767 C ILE A 53 -9.445 0.687 1.986 1.00 94.99 C +ATOM 768 CB ILE A 53 -9.360 -1.777 1.395 1.00 94.99 C +ATOM 769 HB ILE A 53 -10.430 -1.683 1.208 1.00 94.99 H +ATOM 770 O ILE A 53 -8.699 1.464 1.384 1.00 94.99 O +ATOM 771 CG1 ILE A 53 -9.105 -3.207 1.929 1.00 94.99 C +ATOM 772 HG12 ILE A 53 -9.813 -3.404 2.734 1.00 94.99 H +ATOM 773 HG13 ILE A 53 -8.106 -3.262 2.362 1.00 94.99 H +ATOM 774 CG2 ILE A 53 -8.621 -1.523 0.069 1.00 94.99 C +ATOM 775 HG21 ILE A 53 -8.814 -0.514 -0.297 1.00 94.99 H +ATOM 776 HG22 ILE A 53 -8.962 -2.223 -0.694 1.00 94.99 H +ATOM 777 HG23 ILE A 53 -7.548 -1.648 0.213 1.00 94.99 H +ATOM 778 CD1 ILE A 53 -9.282 -4.342 0.910 1.00 94.99 C +ATOM 779 HD11 ILE A 53 -9.208 -5.300 1.424 1.00 94.99 H +ATOM 780 HD12 ILE A 53 -8.503 -4.300 0.149 1.00 94.99 H +ATOM 781 HD13 ILE A 53 -10.261 -4.269 0.437 1.00 94.99 H +ATOM 782 N ALA A 54 -10.695 1.026 2.313 1.00 95.53 N +ATOM 783 H ALA A 54 -11.203 0.430 2.951 1.00 95.53 H +ATOM 784 CA ALA A 54 -11.288 2.307 1.948 1.00 95.53 C +ATOM 785 HA ALA A 54 -11.166 2.457 0.876 1.00 95.53 H +ATOM 786 C ALA A 54 -10.581 3.466 2.666 1.00 95.53 C +ATOM 787 CB ALA A 54 -12.786 2.260 2.266 1.00 95.53 C +ATOM 788 HB1 ALA A 54 -12.938 2.092 3.332 1.00 95.53 H +ATOM 789 HB2 ALA A 54 -13.257 1.449 1.710 1.00 95.53 H +ATOM 790 HB3 ALA A 54 -13.254 3.203 1.983 1.00 95.53 H +ATOM 791 O ALA A 54 -10.237 4.471 2.033 1.00 95.53 O +ATOM 792 N CYS A 55 -10.302 3.314 3.965 1.00 95.98 N +ATOM 793 H CYS A 55 -10.635 2.486 4.436 1.00 95.98 H +ATOM 794 CA CYS A 55 -9.536 4.289 4.734 1.00 95.98 C +ATOM 795 HA CYS A 55 -10.009 5.265 4.627 1.00 95.98 H +ATOM 796 C CYS A 55 -8.099 4.416 4.215 1.00 95.98 C +ATOM 797 CB CYS A 55 -9.581 3.904 6.213 1.00 95.98 C +ATOM 798 HB2 CYS A 55 -9.079 2.948 6.364 1.00 95.98 H +ATOM 799 HB3 CYS A 55 -10.621 3.798 6.522 1.00 95.98 H +ATOM 800 O CYS A 55 -7.632 5.535 3.988 1.00 95.98 O +ATOM 801 SG CYS A 55 -8.795 5.187 7.227 1.00 95.98 S +ATOM 802 HG CYS A 55 -9.073 4.596 8.392 1.00 95.98 H +ATOM 803 N LEU A 56 -7.422 3.297 3.935 1.00 96.49 N +ATOM 804 H LEU A 56 -7.854 2.411 4.154 1.00 96.49 H +ATOM 805 CA LEU A 56 -6.065 3.289 3.386 1.00 96.49 C +ATOM 806 HA LEU A 56 -5.409 3.794 4.095 1.00 96.49 H +ATOM 807 C LEU A 56 -5.985 4.052 2.054 1.00 96.49 C +ATOM 808 CB LEU A 56 -5.601 1.828 3.250 1.00 96.49 C +ATOM 809 HB2 LEU A 56 -6.343 1.275 2.674 1.00 96.49 H +ATOM 810 HB3 LEU A 56 -5.555 1.384 4.245 1.00 96.49 H +ATOM 811 O LEU A 56 -5.185 4.980 1.914 1.00 96.49 O +ATOM 812 CG LEU A 56 -4.237 1.657 2.562 1.00 96.49 C +ATOM 813 HG LEU A 56 -4.301 2.029 1.539 1.00 96.49 H +ATOM 814 CD1 LEU A 56 -3.111 2.397 3.282 1.00 96.49 C +ATOM 815 HD11 LEU A 56 -3.286 3.473 3.265 1.00 96.49 H +ATOM 816 HD12 LEU A 56 -3.044 2.051 4.313 1.00 96.49 H +ATOM 817 HD13 LEU A 56 -2.170 2.195 2.771 1.00 96.49 H +ATOM 818 CD2 LEU A 56 -3.886 0.175 2.504 1.00 96.49 C +ATOM 819 HD21 LEU A 56 -3.714 -0.215 3.507 1.00 96.49 H +ATOM 820 HD22 LEU A 56 -2.987 0.044 1.902 1.00 96.49 H +ATOM 821 HD23 LEU A 56 -4.698 -0.385 2.040 1.00 96.49 H +ATOM 822 N VAL A 57 -6.855 3.731 1.094 1.00 97.22 N +ATOM 823 H VAL A 57 -7.490 2.965 1.266 1.00 97.22 H +ATOM 824 CA VAL A 57 -6.896 4.405 -0.215 1.00 97.22 C +ATOM 825 HA VAL A 57 -5.909 4.344 -0.674 1.00 97.22 H +ATOM 826 C VAL A 57 -7.237 5.886 -0.060 1.00 97.22 C +ATOM 827 CB VAL A 57 -7.900 3.704 -1.145 1.00 97.22 C +ATOM 828 HB VAL A 57 -8.859 3.620 -0.633 1.00 97.22 H +ATOM 829 O VAL A 57 -6.620 6.735 -0.707 1.00 97.22 O +ATOM 830 CG1 VAL A 57 -8.119 4.456 -2.466 1.00 97.22 C +ATOM 831 HG11 VAL A 57 -8.607 5.413 -2.279 1.00 97.22 H +ATOM 832 HG12 VAL A 57 -7.166 4.621 -2.967 1.00 97.22 H +ATOM 833 HG13 VAL A 57 -8.764 3.866 -3.117 1.00 97.22 H +ATOM 834 CG2 VAL A 57 -7.400 2.301 -1.497 1.00 97.22 C +ATOM 835 HG21 VAL A 57 -8.218 1.754 -1.966 1.00 97.22 H +ATOM 836 HG22 VAL A 57 -6.548 2.351 -2.175 1.00 97.22 H +ATOM 837 HG23 VAL A 57 -7.105 1.748 -0.605 1.00 97.22 H +ATOM 838 N ARG A 58 -8.173 6.237 0.832 1.00 96.86 N +ATOM 839 H ARG A 58 -8.654 5.502 1.331 1.00 96.86 H +ATOM 840 CA ARG A 58 -8.507 7.638 1.130 1.00 96.86 C +ATOM 841 HA ARG A 58 -8.771 8.131 0.194 1.00 96.86 H +ATOM 842 C ARG A 58 -7.309 8.397 1.704 1.00 96.86 C +ATOM 843 CB ARG A 58 -9.718 7.669 2.073 1.00 96.86 C +ATOM 844 HB2 ARG A 58 -9.451 7.221 3.029 1.00 96.86 H +ATOM 845 HB3 ARG A 58 -10.519 7.078 1.629 1.00 96.86 H +ATOM 846 O ARG A 58 -7.064 9.534 1.298 1.00 96.86 O +ATOM 847 CG ARG A 58 -10.239 9.093 2.306 1.00 96.86 C +ATOM 848 HG2 ARG A 58 -9.464 9.702 2.770 1.00 96.86 H +ATOM 849 HG3 ARG A 58 -10.515 9.532 1.347 1.00 96.86 H +ATOM 850 CD ARG A 58 -11.466 9.064 3.224 1.00 96.86 C +ATOM 851 HD2 ARG A 58 -11.162 8.699 4.205 1.00 96.86 H +ATOM 852 HD3 ARG A 58 -12.194 8.366 2.810 1.00 96.86 H +ATOM 853 NE ARG A 58 -12.090 10.400 3.346 1.00 96.86 N +ATOM 854 HE ARG A 58 -11.831 11.091 2.656 1.00 96.86 H +ATOM 855 NH1 ARG A 58 -13.700 9.808 4.878 1.00 96.86 N +ATOM 856 HH11 ARG A 58 -14.506 10.036 5.441 1.00 96.86 H +ATOM 857 HH12 ARG A 58 -13.397 8.845 4.847 1.00 96.86 H +ATOM 858 NH2 ARG A 58 -13.618 11.904 4.131 1.00 96.86 N +ATOM 859 HH21 ARG A 58 -13.364 12.585 3.430 1.00 96.86 H +ATOM 860 HH22 ARG A 58 -14.445 12.083 4.683 1.00 96.86 H +ATOM 861 CZ ARG A 58 -13.129 10.695 4.114 1.00 96.86 C +ATOM 862 N CYS A 59 -6.557 7.793 2.621 1.00 95.92 N +ATOM 863 H CYS A 59 -6.841 6.877 2.940 1.00 95.92 H +ATOM 864 CA CYS A 59 -5.343 8.369 3.199 1.00 95.92 C +ATOM 865 HA CYS A 59 -5.568 9.353 3.609 1.00 95.92 H +ATOM 866 C CYS A 59 -4.251 8.575 2.143 1.00 95.92 C +ATOM 867 CB CYS A 59 -4.868 7.465 4.343 1.00 95.92 C +ATOM 868 HB2 CYS A 59 -4.926 6.418 4.044 1.00 95.92 H +ATOM 869 HB3 CYS A 59 -3.837 7.696 4.611 1.00 95.92 H +ATOM 870 O CYS A 59 -3.642 9.646 2.097 1.00 95.92 O +ATOM 871 SG CYS A 59 -5.936 7.757 5.781 1.00 95.92 S +ATOM 872 HG CYS A 59 -5.911 6.513 6.269 1.00 95.92 H +ATOM 873 N LEU A 60 -4.063 7.602 1.248 1.00 96.65 N +ATOM 874 H LEU A 60 -4.564 6.733 1.368 1.00 96.65 H +ATOM 875 CA LEU A 60 -3.126 7.715 0.133 1.00 96.65 C +ATOM 876 HA LEU A 60 -2.151 8.003 0.525 1.00 96.65 H +ATOM 877 C LEU A 60 -3.543 8.829 -0.836 1.00 96.65 C +ATOM 878 CB LEU A 60 -2.987 6.357 -0.574 1.00 96.65 C +ATOM 879 HB2 LEU A 60 -3.982 6.001 -0.842 1.00 96.65 H +ATOM 880 HB3 LEU A 60 -2.421 6.495 -1.495 1.00 96.65 H +ATOM 881 O LEU A 60 -2.723 9.692 -1.129 1.00 96.65 O +ATOM 882 CG LEU A 60 -2.275 5.279 0.268 1.00 96.65 C +ATOM 883 HG LEU A 60 -2.711 5.238 1.266 1.00 96.65 H +ATOM 884 CD1 LEU A 60 -2.454 3.919 -0.398 1.00 96.65 C +ATOM 885 HD11 LEU A 60 -2.005 3.146 0.227 1.00 96.65 H +ATOM 886 HD12 LEU A 60 -1.977 3.908 -1.378 1.00 96.65 H +ATOM 887 HD13 LEU A 60 -3.516 3.696 -0.499 1.00 96.65 H +ATOM 888 CD2 LEU A 60 -0.775 5.547 0.410 1.00 96.65 C +ATOM 889 HD21 LEU A 60 -0.597 6.503 0.902 1.00 96.65 H +ATOM 890 HD22 LEU A 60 -0.299 5.540 -0.571 1.00 96.65 H +ATOM 891 HD23 LEU A 60 -0.325 4.761 1.017 1.00 96.65 H +ATOM 892 N ARG A 61 -4.814 8.911 -1.252 1.00 96.30 N +ATOM 893 H ARG A 61 -5.441 8.163 -0.991 1.00 96.30 H +ATOM 894 CA ARG A 61 -5.313 9.995 -2.129 1.00 96.30 C +ATOM 895 HA ARG A 61 -4.759 9.981 -3.068 1.00 96.30 H +ATOM 896 C ARG A 61 -5.087 11.384 -1.536 1.00 96.30 C +ATOM 897 CB ARG A 61 -6.807 9.802 -2.431 1.00 96.30 C +ATOM 898 HB2 ARG A 61 -7.342 9.587 -1.506 1.00 96.30 H +ATOM 899 HB3 ARG A 61 -7.207 10.723 -2.856 1.00 96.30 H +ATOM 900 O ARG A 61 -4.635 12.283 -2.238 1.00 96.30 O +ATOM 901 CG ARG A 61 -7.041 8.678 -3.442 1.00 96.30 C +ATOM 902 HG2 ARG A 61 -6.570 8.945 -4.388 1.00 96.30 H +ATOM 903 HG3 ARG A 61 -6.596 7.755 -3.071 1.00 96.30 H +ATOM 904 CD ARG A 61 -8.534 8.436 -3.674 1.00 96.30 C +ATOM 905 HD2 ARG A 61 -8.986 9.341 -4.082 1.00 96.30 H +ATOM 906 HD3 ARG A 61 -9.002 8.195 -2.720 1.00 96.30 H +ATOM 907 NE ARG A 61 -8.722 7.326 -4.616 1.00 96.30 N +ATOM 908 HE ARG A 61 -7.912 7.026 -5.140 1.00 96.30 H +ATOM 909 NH1 ARG A 61 -10.895 6.732 -4.159 1.00 96.30 N +ATOM 910 HH11 ARG A 61 -11.684 6.137 -4.366 1.00 96.30 H +ATOM 911 HH12 ARG A 61 -10.984 7.517 -3.529 1.00 96.30 H +ATOM 912 NH2 ARG A 61 -9.713 5.613 -5.694 1.00 96.30 N +ATOM 913 HH21 ARG A 61 -8.833 5.469 -6.169 1.00 96.30 H +ATOM 914 HH22 ARG A 61 -10.515 5.053 -5.946 1.00 96.30 H +ATOM 915 CZ ARG A 61 -9.781 6.567 -4.814 1.00 96.30 C +ATOM 916 N LYS A 62 -5.325 11.555 -0.230 1.00 95.24 N +ATOM 917 H LYS A 62 -5.698 10.769 0.282 1.00 95.24 H +ATOM 918 CA LYS A 62 -5.102 12.835 0.466 1.00 95.24 C +ATOM 919 HA LYS A 62 -5.673 13.619 -0.033 1.00 95.24 H +ATOM 920 C LYS A 62 -3.644 13.306 0.429 1.00 95.24 C +ATOM 921 CB LYS A 62 -5.562 12.723 1.927 1.00 95.24 C +ATOM 922 HB2 LYS A 62 -5.131 13.550 2.492 1.00 95.24 H +ATOM 923 HB3 LYS A 62 -5.186 11.794 2.354 1.00 95.24 H +ATOM 924 O LYS A 62 -3.406 14.506 0.515 1.00 95.24 O +ATOM 925 CG LYS A 62 -7.087 12.791 2.092 1.00 95.24 C +ATOM 926 HG2 LYS A 62 -7.443 13.758 1.736 1.00 95.24 H +ATOM 927 HG3 LYS A 62 -7.569 12.006 1.510 1.00 95.24 H +ATOM 928 CD LYS A 62 -7.442 12.634 3.577 1.00 95.24 C +ATOM 929 HD2 LYS A 62 -7.084 11.665 3.925 1.00 95.24 H +ATOM 930 HD3 LYS A 62 -6.939 13.419 4.142 1.00 95.24 H +ATOM 931 CE LYS A 62 -8.952 12.732 3.812 1.00 95.24 C +ATOM 932 HE2 LYS A 62 -9.438 11.923 3.267 1.00 95.24 H +ATOM 933 HE3 LYS A 62 -9.304 13.679 3.401 1.00 95.24 H +ATOM 934 NZ LYS A 62 -9.276 12.652 5.262 1.00 95.24 N +ATOM 935 HZ1 LYS A 62 -8.951 11.783 5.660 1.00 95.24 H +ATOM 936 HZ2 LYS A 62 -8.831 13.405 5.768 1.00 95.24 H +ATOM 937 HZ3 LYS A 62 -10.270 12.727 5.429 1.00 95.24 H +ATOM 938 N LYS A 63 -2.671 12.392 0.355 1.00 93.01 N +ATOM 939 H LYS A 63 -2.943 11.421 0.307 1.00 93.01 H +ATOM 940 CA LYS A 63 -1.235 12.725 0.424 1.00 93.01 C +ATOM 941 HA LYS A 63 -1.114 13.777 0.684 1.00 93.01 H +ATOM 942 C LYS A 63 -0.504 12.597 -0.914 1.00 93.01 C +ATOM 943 CB LYS A 63 -0.575 11.869 1.516 1.00 93.01 C +ATOM 944 HB2 LYS A 63 -0.768 10.820 1.292 1.00 93.01 H +ATOM 945 HB3 LYS A 63 0.504 12.021 1.484 1.00 93.01 H +ATOM 946 O LYS A 63 0.417 13.365 -1.161 1.00 93.01 O +ATOM 947 CG LYS A 63 -1.074 12.172 2.944 1.00 93.01 C +ATOM 948 HG2 LYS A 63 -0.610 11.464 3.630 1.00 93.01 H +ATOM 949 HG3 LYS A 63 -2.153 12.026 2.996 1.00 93.01 H +ATOM 950 CD LYS A 63 -0.728 13.593 3.416 1.00 93.01 C +ATOM 951 HD2 LYS A 63 -1.272 14.318 2.810 1.00 93.01 H +ATOM 952 HD3 LYS A 63 0.342 13.759 3.294 1.00 93.01 H +ATOM 953 CE LYS A 63 -1.113 13.777 4.889 1.00 93.01 C +ATOM 954 HE2 LYS A 63 -0.563 13.050 5.487 1.00 93.01 H +ATOM 955 HE3 LYS A 63 -2.176 13.558 4.997 1.00 93.01 H +ATOM 956 NZ LYS A 63 -0.827 15.156 5.363 1.00 93.01 N +ATOM 957 HZ1 LYS A 63 -1.099 15.270 6.329 1.00 93.01 H +ATOM 958 HZ2 LYS A 63 -1.336 15.835 4.814 1.00 93.01 H +ATOM 959 HZ3 LYS A 63 0.158 15.367 5.288 1.00 93.01 H +ATOM 960 N LEU A 64 -0.927 11.675 -1.774 1.00 94.02 N +ATOM 961 H LEU A 64 -1.673 11.066 -1.468 1.00 94.02 H +ATOM 962 CA LEU A 64 -0.295 11.337 -3.055 1.00 94.02 C +ATOM 963 HA LEU A 64 0.662 11.854 -3.130 1.00 94.02 H +ATOM 964 C LEU A 64 -1.115 11.792 -4.273 1.00 94.02 C +ATOM 965 CB LEU A 64 -0.019 9.821 -3.108 1.00 94.02 C +ATOM 966 HB2 LEU A 64 0.490 9.591 -4.044 1.00 94.02 H +ATOM 967 HB3 LEU A 64 -0.974 9.296 -3.122 1.00 94.02 H +ATOM 968 O LEU A 64 -0.723 11.528 -5.406 1.00 94.02 O +ATOM 969 CG LEU A 64 0.833 9.272 -1.950 1.00 94.02 C +ATOM 970 HG LEU A 64 0.338 9.476 -1.001 1.00 94.02 H +ATOM 971 CD1 LEU A 64 0.955 7.760 -2.091 1.00 94.02 C +ATOM 972 HD11 LEU A 64 -0.035 7.316 -2.200 1.00 94.02 H +ATOM 973 HD12 LEU A 64 1.416 7.357 -1.189 1.00 94.02 H +ATOM 974 HD13 LEU A 64 1.558 7.504 -2.962 1.00 94.02 H +ATOM 975 CD2 LEU A 64 2.239 9.876 -1.913 1.00 94.02 C +ATOM 976 HD21 LEU A 64 2.830 9.383 -1.141 1.00 94.02 H +ATOM 977 HD22 LEU A 64 2.726 9.731 -2.877 1.00 94.02 H +ATOM 978 HD23 LEU A 64 2.188 10.941 -1.685 1.00 94.02 H +ATOM 979 N ARG A 65 -2.237 12.495 -4.060 1.00 91.28 N +ATOM 980 H ARG A 65 -2.506 12.623 -3.095 1.00 91.28 H +ATOM 981 CA ARG A 65 -3.217 12.958 -5.067 1.00 91.28 C +ATOM 982 HA ARG A 65 -3.969 13.546 -4.541 1.00 91.28 H +ATOM 983 C ARG A 65 -4.021 11.844 -5.737 1.00 91.28 C +ATOM 984 CB ARG A 65 -2.569 13.881 -6.118 1.00 91.28 C +ATOM 985 HB2 ARG A 65 -3.360 14.252 -6.769 1.00 91.28 H +ATOM 986 HB3 ARG A 65 -1.876 13.313 -6.739 1.00 91.28 H +ATOM 987 O ARG A 65 -5.234 11.973 -5.853 1.00 91.28 O +ATOM 988 CG ARG A 65 -1.843 15.085 -5.502 1.00 91.28 C +ATOM 989 HG2 ARG A 65 -1.020 14.755 -4.868 1.00 91.28 H +ATOM 990 HG3 ARG A 65 -2.553 15.639 -4.887 1.00 91.28 H +ATOM 991 CD ARG A 65 -1.302 16.027 -6.583 1.00 91.28 C +ATOM 992 HD2 ARG A 65 -1.083 16.984 -6.109 1.00 91.28 H +ATOM 993 HD3 ARG A 65 -2.081 16.206 -7.324 1.00 91.28 H +ATOM 994 NE ARG A 65 -0.100 15.481 -7.251 1.00 91.28 N +ATOM 995 HE ARG A 65 -0.209 14.582 -7.697 1.00 91.28 H +ATOM 996 NH1 ARG A 65 1.360 17.198 -6.775 1.00 91.28 N +ATOM 997 HH11 ARG A 65 2.260 17.640 -6.900 1.00 91.28 H +ATOM 998 HH12 ARG A 65 0.613 17.697 -6.312 1.00 91.28 H +ATOM 999 NH2 ARG A 65 2.049 15.482 -8.014 1.00 91.28 N +ATOM 1000 HH21 ARG A 65 1.868 14.626 -8.519 1.00 91.28 H +ATOM 1001 HH22 ARG A 65 2.938 15.949 -8.125 1.00 91.28 H +ATOM 1002 CZ ARG A 65 1.091 16.053 -7.339 1.00 91.28 C +ATOM 1003 N TYR A 66 -3.377 10.750 -6.129 1.00 94.70 N +ATOM 1004 H TYR A 66 -2.376 10.717 -5.998 1.00 94.70 H +ATOM 1005 CA TYR A 66 -4.019 9.601 -6.760 1.00 94.70 C +ATOM 1006 HA TYR A 66 -5.102 9.714 -6.709 1.00 94.70 H +ATOM 1007 C TYR A 66 -3.636 8.304 -6.055 1.00 94.70 C +ATOM 1008 CB TYR A 66 -3.633 9.529 -8.237 1.00 94.70 C +ATOM 1009 HB2 TYR A 66 -3.824 10.493 -8.710 1.00 94.70 H +ATOM 1010 HB3 TYR A 66 -2.565 9.324 -8.303 1.00 94.70 H +ATOM 1011 O TYR A 66 -2.463 8.074 -5.756 1.00 94.70 O +ATOM 1012 CG TYR A 66 -4.373 8.452 -8.999 1.00 94.70 C +ATOM 1013 CD1 TYR A 66 -3.820 7.161 -9.160 1.00 94.70 C +ATOM 1014 HD1 TYR A 66 -2.849 6.929 -8.748 1.00 94.70 H +ATOM 1015 CD2 TYR A 66 -5.634 8.751 -9.542 1.00 94.70 C +ATOM 1016 HD2 TYR A 66 -6.058 9.739 -9.438 1.00 94.70 H +ATOM 1017 CE1 TYR A 66 -4.532 6.168 -9.871 1.00 94.70 C +ATOM 1018 HE1 TYR A 66 -4.128 5.175 -10.003 1.00 94.70 H +ATOM 1019 CE2 TYR A 66 -6.325 7.773 -10.274 1.00 94.70 C +ATOM 1020 HE2 TYR A 66 -7.277 7.997 -10.733 1.00 94.70 H +ATOM 1021 OH TYR A 66 -6.511 5.625 -11.198 1.00 94.70 O +ATOM 1022 HH TYR A 66 -6.364 4.679 -11.137 1.00 94.70 H +ATOM 1023 CZ TYR A 66 -5.782 6.486 -10.448 1.00 94.70 C +ATOM 1024 N ALA A 67 -4.640 7.463 -5.823 1.00 97.26 N +ATOM 1025 H ALA A 67 -5.551 7.708 -6.184 1.00 97.26 H +ATOM 1026 CA ALA A 67 -4.465 6.072 -5.439 1.00 97.26 C +ATOM 1027 HA ALA A 67 -3.579 5.703 -5.956 1.00 97.26 H +ATOM 1028 C ALA A 67 -5.684 5.253 -5.888 1.00 97.26 C +ATOM 1029 CB ALA A 67 -4.220 5.955 -3.930 1.00 97.26 C +ATOM 1030 HB1 ALA A 67 -3.938 4.929 -3.692 1.00 97.26 H +ATOM 1031 HB2 ALA A 67 -3.406 6.618 -3.635 1.00 97.26 H +ATOM 1032 HB3 ALA A 67 -5.122 6.205 -3.371 1.00 97.26 H +ATOM 1033 O ALA A 67 -6.818 5.733 -5.794 1.00 97.26 O +ATOM 1034 N GLU A 68 -5.475 4.028 -6.344 1.00 96.74 N +ATOM 1035 H GLU A 68 -4.522 3.710 -6.449 1.00 96.74 H +ATOM 1036 CA GLU A 68 -6.515 3.127 -6.839 1.00 96.74 C +ATOM 1037 HA GLU A 68 -7.473 3.371 -6.379 1.00 96.74 H +ATOM 1038 C GLU A 68 -6.174 1.681 -6.489 1.00 96.74 C +ATOM 1039 CB GLU A 68 -6.648 3.297 -8.352 1.00 96.74 C +ATOM 1040 HB2 GLU A 68 -6.914 4.332 -8.564 1.00 96.74 H +ATOM 1041 HB3 GLU A 68 -5.679 3.083 -8.804 1.00 96.74 H +ATOM 1042 O GLU A 68 -5.015 1.279 -6.535 1.00 96.74 O +ATOM 1043 CG GLU A 68 -7.715 2.373 -8.958 1.00 96.74 C +ATOM 1044 HG2 GLU A 68 -8.677 2.605 -8.501 1.00 96.74 H +ATOM 1045 HG3 GLU A 68 -7.466 1.335 -8.738 1.00 96.74 H +ATOM 1046 CD GLU A 68 -7.802 2.507 -10.478 1.00 96.74 C +ATOM 1047 OE1 GLU A 68 -8.822 2.051 -11.028 1.00 96.74 O +ATOM 1048 OE2 GLU A 68 -6.848 3.078 -11.061 1.00 96.74 O +ATOM 1049 N ILE A 69 -7.191 0.897 -6.141 1.00 97.17 N +ATOM 1050 H ILE A 69 -8.132 1.233 -6.286 1.00 97.17 H +ATOM 1051 CA ILE A 69 -7.038 -0.529 -5.868 1.00 97.17 C +ATOM 1052 HA ILE A 69 -6.130 -0.694 -5.288 1.00 97.17 H +ATOM 1053 C ILE A 69 -6.913 -1.257 -7.206 1.00 97.17 C +ATOM 1054 CB ILE A 69 -8.240 -1.059 -5.060 1.00 97.17 C +ATOM 1055 HB ILE A 69 -9.137 -0.950 -5.670 1.00 97.17 H +ATOM 1056 O ILE A 69 -7.838 -1.229 -8.009 1.00 97.17 O +ATOM 1057 CG1 ILE A 69 -8.447 -0.264 -3.752 1.00 97.17 C +ATOM 1058 HG12 ILE A 69 -8.415 0.804 -3.968 1.00 97.17 H +ATOM 1059 HG13 ILE A 69 -7.648 -0.497 -3.048 1.00 97.17 H +ATOM 1060 CG2 ILE A 69 -8.040 -2.550 -4.751 1.00 97.17 C +ATOM 1061 HG21 ILE A 69 -8.899 -2.928 -4.196 1.00 97.17 H +ATOM 1062 HG22 ILE A 69 -7.133 -2.705 -4.165 1.00 97.17 H +ATOM 1063 HG23 ILE A 69 -7.974 -3.127 -5.673 1.00 97.17 H +ATOM 1064 CD1 ILE A 69 -9.808 -0.527 -3.094 1.00 97.17 C +ATOM 1065 HD11 ILE A 69 -10.606 -0.340 -3.812 1.00 97.17 H +ATOM 1066 HD12 ILE A 69 -9.878 -1.557 -2.744 1.00 97.17 H +ATOM 1067 HD13 ILE A 69 -9.942 0.143 -2.245 1.00 97.17 H +ATOM 1068 N VAL A 70 -5.786 -1.927 -7.423 1.00 96.46 N +ATOM 1069 H VAL A 70 -5.075 -1.904 -6.706 1.00 96.46 H +ATOM 1070 CA VAL A 70 -5.539 -2.755 -8.613 1.00 96.46 C +ATOM 1071 HA VAL A 70 -6.117 -2.375 -9.456 1.00 96.46 H +ATOM 1072 C VAL A 70 -5.975 -4.192 -8.365 1.00 96.46 C +ATOM 1073 CB VAL A 70 -4.047 -2.724 -8.986 1.00 96.46 C +ATOM 1074 HB VAL A 70 -3.461 -3.094 -8.145 1.00 96.46 H +ATOM 1075 O VAL A 70 -6.525 -4.843 -9.248 1.00 96.46 O +ATOM 1076 CG1 VAL A 70 -3.721 -3.584 -10.211 1.00 96.46 C +ATOM 1077 HG11 VAL A 70 -4.327 -3.269 -11.061 1.00 96.46 H +ATOM 1078 HG12 VAL A 70 -2.665 -3.490 -10.465 1.00 96.46 H +ATOM 1079 HG13 VAL A 70 -3.922 -4.636 -10.006 1.00 96.46 H +ATOM 1080 CG2 VAL A 70 -3.593 -1.298 -9.296 1.00 96.46 C +ATOM 1081 HG21 VAL A 70 -3.727 -0.661 -8.422 1.00 96.46 H +ATOM 1082 HG22 VAL A 70 -2.538 -1.317 -9.567 1.00 96.46 H +ATOM 1083 HG23 VAL A 70 -4.177 -0.893 -10.123 1.00 96.46 H +ATOM 1084 N LYS A 71 -5.709 -4.706 -7.161 1.00 96.10 N +ATOM 1085 H LYS A 71 -5.266 -4.112 -6.475 1.00 96.10 H +ATOM 1086 CA LYS A 71 -5.983 -6.099 -6.811 1.00 96.10 C +ATOM 1087 HA LYS A 71 -6.869 -6.424 -7.355 1.00 96.10 H +ATOM 1088 C LYS A 71 -6.260 -6.235 -5.321 1.00 96.10 C +ATOM 1089 CB LYS A 71 -4.786 -6.959 -7.258 1.00 96.10 C +ATOM 1090 HB2 LYS A 71 -4.538 -6.712 -8.290 1.00 96.10 H +ATOM 1091 HB3 LYS A 71 -3.924 -6.730 -6.632 1.00 96.10 H +ATOM 1092 O LYS A 71 -5.597 -5.595 -4.508 1.00 96.10 O +ATOM 1093 CG LYS A 71 -5.069 -8.464 -7.184 1.00 96.10 C +ATOM 1094 HG2 LYS A 71 -5.277 -8.743 -6.151 1.00 96.10 H +ATOM 1095 HG3 LYS A 71 -5.937 -8.702 -7.799 1.00 96.10 H +ATOM 1096 CD LYS A 71 -3.860 -9.269 -7.678 1.00 96.10 C +ATOM 1097 HD2 LYS A 71 -2.990 -8.995 -7.082 1.00 96.10 H +ATOM 1098 HD3 LYS A 71 -3.666 -9.051 -8.728 1.00 96.10 H +ATOM 1099 CE LYS A 71 -4.159 -10.759 -7.495 1.00 96.10 C +ATOM 1100 HE2 LYS A 71 -4.590 -10.891 -6.503 1.00 96.10 H +ATOM 1101 HE3 LYS A 71 -4.903 -11.085 -8.222 1.00 96.10 H +ATOM 1102 NZ LYS A 71 -2.940 -11.595 -7.568 1.00 96.10 N +ATOM 1103 HZ1 LYS A 71 -2.634 -11.802 -8.508 1.00 96.10 H +ATOM 1104 HZ2 LYS A 71 -2.204 -11.193 -7.005 1.00 96.10 H +ATOM 1105 HZ3 LYS A 71 -3.121 -12.440 -7.045 1.00 96.10 H +ATOM 1106 N VAL A 72 -7.202 -7.107 -4.981 1.00 96.00 N +ATOM 1107 H VAL A 72 -7.707 -7.579 -5.717 1.00 96.00 H +ATOM 1108 CA VAL A 72 -7.410 -7.620 -3.624 1.00 96.00 C +ATOM 1109 HA VAL A 72 -6.560 -7.358 -2.994 1.00 96.00 H +ATOM 1110 C VAL A 72 -7.487 -9.132 -3.736 1.00 96.00 C +ATOM 1111 CB VAL A 72 -8.691 -7.065 -2.971 1.00 96.00 C +ATOM 1112 HB VAL A 72 -9.564 -7.425 -3.516 1.00 96.00 H +ATOM 1113 O VAL A 72 -8.292 -9.652 -4.502 1.00 96.00 O +ATOM 1114 CG1 VAL A 72 -8.803 -7.522 -1.510 1.00 96.00 C +ATOM 1115 HG11 VAL A 72 -7.921 -7.215 -0.948 1.00 96.00 H +ATOM 1116 HG12 VAL A 72 -8.893 -8.607 -1.462 1.00 96.00 H +ATOM 1117 HG13 VAL A 72 -9.691 -7.087 -1.050 1.00 96.00 H +ATOM 1118 CG2 VAL A 72 -8.721 -5.535 -2.990 1.00 96.00 C +ATOM 1119 HG21 VAL A 72 -8.761 -5.191 -4.023 1.00 96.00 H +ATOM 1120 HG22 VAL A 72 -9.611 -5.174 -2.474 1.00 96.00 H +ATOM 1121 HG23 VAL A 72 -7.831 -5.138 -2.501 1.00 96.00 H +ATOM 1122 N GLU A 73 -6.637 -9.833 -3.002 1.00 95.49 N +ATOM 1123 H GLU A 73 -5.963 -9.351 -2.424 1.00 95.49 H +ATOM 1124 CA GLU A 73 -6.648 -11.289 -2.927 1.00 95.49 C +ATOM 1125 HA GLU A 73 -7.586 -11.652 -3.346 1.00 95.49 H +ATOM 1126 C GLU A 73 -6.613 -11.750 -1.474 1.00 95.49 C +ATOM 1127 CB GLU A 73 -5.521 -11.895 -3.780 1.00 95.49 C +ATOM 1128 HB2 GLU A 73 -5.616 -11.489 -4.787 1.00 95.49 H +ATOM 1129 HB3 GLU A 73 -5.676 -12.972 -3.838 1.00 95.49 H +ATOM 1130 O GLU A 73 -5.972 -11.136 -0.621 1.00 95.49 O +ATOM 1131 CG GLU A 73 -4.094 -11.633 -3.264 1.00 95.49 C +ATOM 1132 HG2 GLU A 73 -3.946 -12.191 -2.340 1.00 95.49 H +ATOM 1133 HG3 GLU A 73 -3.989 -10.568 -3.058 1.00 95.49 H +ATOM 1134 CD GLU A 73 -3.009 -12.033 -4.277 1.00 95.49 C +ATOM 1135 OE1 GLU A 73 -1.880 -11.502 -4.198 1.00 95.49 O +ATOM 1136 OE2 GLU A 73 -3.307 -12.769 -5.246 1.00 95.49 O +ATOM 1137 N GLU A 74 -7.314 -12.839 -1.189 1.00 94.68 N +ATOM 1138 H GLU A 74 -7.796 -13.325 -1.931 1.00 94.68 H +ATOM 1139 CA GLU A 74 -7.181 -13.541 0.078 1.00 94.68 C +ATOM 1140 HA GLU A 74 -7.109 -12.816 0.888 1.00 94.68 H +ATOM 1141 C GLU A 74 -5.897 -14.377 0.061 1.00 94.68 C +ATOM 1142 CB GLU A 74 -8.439 -14.378 0.319 1.00 94.68 C +ATOM 1143 HB2 GLU A 74 -8.582 -15.078 -0.504 1.00 94.68 H +ATOM 1144 HB3 GLU A 74 -9.285 -13.691 0.352 1.00 94.68 H +ATOM 1145 O GLU A 74 -5.648 -15.151 -0.864 1.00 94.68 O +ATOM 1146 CG GLU A 74 -8.354 -15.153 1.637 1.00 94.68 C +ATOM 1147 HG2 GLU A 74 -7.600 -15.934 1.536 1.00 94.68 H +ATOM 1148 HG3 GLU A 74 -8.016 -14.466 2.412 1.00 94.68 H +ATOM 1149 CD GLU A 74 -9.687 -15.795 2.048 1.00 94.68 C +ATOM 1150 OE1 GLU A 74 -9.649 -16.645 2.963 1.00 94.68 O +ATOM 1151 OE2 GLU A 74 -10.733 -15.441 1.460 1.00 94.68 O +ATOM 1152 N VAL A 75 -5.077 -14.220 1.095 1.00 92.87 N +ATOM 1153 H VAL A 75 -5.398 -13.643 1.859 1.00 92.87 H +ATOM 1154 CA VAL A 75 -3.894 -15.042 1.332 1.00 92.87 C +ATOM 1155 HA VAL A 75 -3.501 -15.395 0.378 1.00 92.87 H +ATOM 1156 C VAL A 75 -4.340 -16.239 2.157 1.00 92.87 C +ATOM 1157 CB VAL A 75 -2.782 -14.249 2.041 1.00 92.87 C +ATOM 1158 HB VAL A 75 -3.134 -13.923 3.020 1.00 92.87 H +ATOM 1159 O VAL A 75 -4.599 -16.109 3.352 1.00 92.87 O +ATOM 1160 CG1 VAL A 75 -1.522 -15.103 2.232 1.00 92.87 C +ATOM 1161 HG11 VAL A 75 -1.171 -15.475 1.269 1.00 92.87 H +ATOM 1162 HG12 VAL A 75 -0.735 -14.510 2.698 1.00 92.87 H +ATOM 1163 HG13 VAL A 75 -1.740 -15.952 2.879 1.00 92.87 H +ATOM 1164 CG2 VAL A 75 -2.385 -12.998 1.248 1.00 92.87 C +ATOM 1165 HG21 VAL A 75 -2.052 -13.281 0.250 1.00 92.87 H +ATOM 1166 HG22 VAL A 75 -1.586 -12.465 1.764 1.00 92.87 H +ATOM 1167 HG23 VAL A 75 -3.244 -12.332 1.156 1.00 92.87 H +ATOM 1168 N LYS A 76 -4.430 -17.402 1.513 1.00 87.24 N +ATOM 1169 H LYS A 76 -4.232 -17.416 0.522 1.00 87.24 H +ATOM 1170 CA LYS A 76 -4.640 -18.675 2.202 1.00 87.24 C +ATOM 1171 HA LYS A 76 -5.333 -18.528 3.031 1.00 87.24 H +ATOM 1172 C LYS A 76 -3.309 -19.136 2.787 1.00 87.24 C +ATOM 1173 CB LYS A 76 -5.237 -19.719 1.246 1.00 87.24 C +ATOM 1174 HB2 LYS A 76 -4.561 -19.871 0.404 1.00 87.24 H +ATOM 1175 HB3 LYS A 76 -5.337 -20.663 1.782 1.00 87.24 H +ATOM 1176 O LYS A 76 -2.330 -19.251 2.046 1.00 87.24 O +ATOM 1177 CG LYS A 76 -6.617 -19.283 0.728 1.00 87.24 C +ATOM 1178 HG2 LYS A 76 -7.275 -19.102 1.578 1.00 87.24 H +ATOM 1179 HG3 LYS A 76 -6.522 -18.360 0.157 1.00 87.24 H +ATOM 1180 CD LYS A 76 -7.239 -20.357 -0.169 1.00 87.24 C +ATOM 1181 HD2 LYS A 76 -6.587 -20.537 -1.024 1.00 87.24 H +ATOM 1182 HD3 LYS A 76 -7.348 -21.278 0.404 1.00 87.24 H +ATOM 1183 CE LYS A 76 -8.611 -19.870 -0.646 1.00 87.24 C +ATOM 1184 HE2 LYS A 76 -9.209 -19.622 0.231 1.00 87.24 H +ATOM 1185 HE3 LYS A 76 -8.477 -18.951 -1.216 1.00 87.24 H +ATOM 1186 NZ LYS A 76 -9.300 -20.897 -1.462 1.00 87.24 N +ATOM 1187 HZ1 LYS A 76 -9.428 -21.737 -0.916 1.00 87.24 H +ATOM 1188 HZ2 LYS A 76 -10.210 -20.560 -1.743 1.00 87.24 H +ATOM 1189 HZ3 LYS A 76 -8.759 -21.120 -2.285 1.00 87.24 H +ATOM 1190 N ASP A 77 -3.271 -19.383 4.092 1.00 76.41 N +ATOM 1191 H ASP A 77 -4.103 -19.252 4.650 1.00 76.41 H +ATOM 1192 CA ASP A 77 -2.176 -20.151 4.681 1.00 76.41 C +ATOM 1193 HA ASP A 77 -1.232 -19.702 4.376 1.00 76.41 H +ATOM 1194 C ASP A 77 -2.242 -21.574 4.088 1.00 76.41 C +ATOM 1195 CB ASP A 77 -2.240 -20.091 6.219 1.00 76.41 C +ATOM 1196 HB2 ASP A 77 -1.448 -20.720 6.624 1.00 76.41 H +ATOM 1197 HB3 ASP A 77 -3.197 -20.493 6.551 1.00 76.41 H +ATOM 1198 O ASP A 77 -3.336 -22.108 3.888 1.00 76.41 O +ATOM 1199 CG ASP A 77 -2.058 -18.661 6.770 1.00 76.41 C +ATOM 1200 OD1 ASP A 77 -1.182 -17.917 6.256 1.00 76.41 O +ATOM 1201 OD2 ASP A 77 -2.800 -18.292 7.707 1.00 76.41 O +ATOM 1202 N LYS A 78 -1.090 -22.116 3.674 1.00 65.46 N +ATOM 1203 H LYS A 78 -0.233 -21.679 3.982 1.00 65.46 H +ATOM 1204 CA LYS A 78 -0.999 -23.444 3.044 1.00 65.46 C +ATOM 1205 HA LYS A 78 -1.759 -23.534 2.268 1.00 65.46 H +ATOM 1206 C LYS A 78 -1.323 -24.560 4.026 1.00 65.46 C +ATOM 1207 CB LYS A 78 0.394 -23.700 2.458 1.00 65.46 C +ATOM 1208 HB2 LYS A 78 1.148 -23.422 3.195 1.00 65.46 H +ATOM 1209 HB3 LYS A 78 0.486 -24.770 2.277 1.00 65.46 H +ATOM 1210 O LYS A 78 -0.914 -24.424 5.199 1.00 65.46 O +ATOM 1211 CG LYS A 78 0.645 -22.970 1.137 1.00 65.46 C +ATOM 1212 HG2 LYS A 78 0.621 -21.892 1.298 1.00 65.46 H +ATOM 1213 HG3 LYS A 78 -0.126 -23.246 0.419 1.00 65.46 H +ATOM 1214 CD LYS A 78 2.020 -23.390 0.605 1.00 65.46 C +ATOM 1215 HD2 LYS A 78 2.039 -24.475 0.503 1.00 65.46 H +ATOM 1216 HD3 LYS A 78 2.783 -23.090 1.323 1.00 65.46 H +ATOM 1217 CE LYS A 78 2.300 -22.746 -0.752 1.00 65.46 C +ATOM 1218 HE2 LYS A 78 1.500 -23.029 -1.436 1.00 65.46 H +ATOM 1219 HE3 LYS A 78 2.277 -21.663 -0.634 1.00 65.46 H +ATOM 1220 NZ LYS A 78 3.613 -23.189 -1.282 1.00 65.46 N +ATOM 1221 HZ1 LYS A 78 3.621 -24.194 -1.377 1.00 65.46 H +ATOM 1222 HZ2 LYS A 78 4.352 -22.928 -0.645 1.00 65.46 H +ATOM 1223 HZ3 LYS A 78 3.792 -22.776 -2.186 1.00 65.46 H +ATOM 1224 OXT LYS A 78 -1.858 -25.562 3.511 1.00 65.46 O +ATOM 1 N ASN B 1 4.606 -24.941 -27.050 1.00 85.71 N +ATOM 2 H ASN B 1 3.896 -24.222 -27.078 1.00 85.71 H +ATOM 3 H2 ASN B 1 5.223 -24.799 -27.838 1.00 85.71 H +ATOM 4 H3 ASN B 1 4.160 -25.844 -27.117 1.00 85.71 H +ATOM 5 CA ASN B 1 5.375 -24.825 -25.795 1.00 85.71 C +ATOM 6 HA ASN B 1 4.694 -24.880 -24.946 1.00 85.71 H +ATOM 7 C ASN B 1 6.000 -23.441 -25.782 1.00 85.71 C +ATOM 8 CB ASN B 1 6.422 -25.953 -25.644 1.00 85.71 C +ATOM 9 HB2 ASN B 1 5.912 -26.917 -25.682 1.00 85.71 H +ATOM 10 HB3 ASN B 1 7.132 -25.909 -26.470 1.00 85.71 H +ATOM 11 O ASN B 1 6.890 -23.186 -26.586 1.00 85.71 O +ATOM 12 CG ASN B 1 7.199 -25.875 -24.327 1.00 85.71 C +ATOM 13 ND2 ASN B 1 7.711 -26.972 -23.811 1.00 85.71 N +ATOM 14 HD21 ASN B 1 8.167 -26.872 -22.916 1.00 85.71 H +ATOM 15 HD22 ASN B 1 7.581 -27.884 -24.225 1.00 85.71 H +ATOM 16 OD1 ASN B 1 7.358 -24.817 -23.745 1.00 85.71 O +ATOM 17 N GLU B 2 5.479 -22.561 -24.933 1.00 89.19 N +ATOM 18 H GLU B 2 4.763 -22.837 -24.276 1.00 89.19 H +ATOM 19 CA GLU B 2 5.829 -21.135 -24.879 1.00 89.19 C +ATOM 20 HA GLU B 2 5.665 -20.667 -25.850 1.00 89.19 H +ATOM 21 C GLU B 2 7.295 -20.899 -24.501 1.00 89.19 C +ATOM 22 CB GLU B 2 4.898 -20.466 -23.861 1.00 89.19 C +ATOM 23 HB2 GLU B 2 5.206 -19.429 -23.724 1.00 89.19 H +ATOM 24 HB3 GLU B 2 5.008 -20.991 -22.912 1.00 89.19 H +ATOM 25 O GLU B 2 7.946 -20.043 -25.088 1.00 89.19 O +ATOM 26 CG GLU B 2 3.432 -20.490 -24.330 1.00 89.19 C +ATOM 27 HG2 GLU B 2 3.161 -21.502 -24.634 1.00 89.19 H +ATOM 28 HG3 GLU B 2 3.341 -19.848 -25.206 1.00 89.19 H +ATOM 29 CD GLU B 2 2.453 -20.048 -23.239 1.00 89.19 C +ATOM 30 OE1 GLU B 2 1.397 -19.503 -23.618 1.00 89.19 O +ATOM 31 OE2 GLU B 2 2.749 -20.351 -22.065 1.00 89.19 O +ATOM 32 N TYR B 3 7.873 -21.726 -23.622 1.00 93.04 N +ATOM 33 H TYR B 3 7.301 -22.420 -23.163 1.00 93.04 H +ATOM 34 CA TYR B 3 9.286 -21.621 -23.236 1.00 93.04 C +ATOM 35 HA TYR B 3 9.488 -20.599 -22.913 1.00 93.04 H +ATOM 36 C TYR B 3 10.232 -21.938 -24.397 1.00 93.04 C +ATOM 37 CB TYR B 3 9.588 -22.571 -22.067 1.00 93.04 C +ATOM 38 HB2 TYR B 3 10.666 -22.586 -21.909 1.00 93.04 H +ATOM 39 HB3 TYR B 3 9.289 -23.585 -22.333 1.00 93.04 H +ATOM 40 O TYR B 3 11.271 -21.299 -24.550 1.00 93.04 O +ATOM 41 CG TYR B 3 8.925 -22.188 -20.762 1.00 93.04 C +ATOM 42 CD1 TYR B 3 9.656 -21.497 -19.772 1.00 93.04 C +ATOM 43 HD1 TYR B 3 10.695 -21.246 -19.929 1.00 93.04 H +ATOM 44 CD2 TYR B 3 7.573 -22.511 -20.541 1.00 93.04 C +ATOM 45 HD2 TYR B 3 7.007 -23.050 -21.286 1.00 93.04 H +ATOM 46 CE1 TYR B 3 9.024 -21.115 -18.571 1.00 93.04 C +ATOM 47 HE1 TYR B 3 9.559 -20.592 -17.792 1.00 93.04 H +ATOM 48 CE2 TYR B 3 6.934 -22.104 -19.358 1.00 93.04 C +ATOM 49 HE2 TYR B 3 5.883 -22.304 -19.214 1.00 93.04 H +ATOM 50 OH TYR B 3 7.016 -20.969 -17.265 1.00 93.04 O +ATOM 51 HH TYR B 3 6.093 -21.236 -17.276 1.00 93.04 H +ATOM 52 CZ TYR B 3 7.657 -21.398 -18.377 1.00 93.04 C +ATOM 53 N LEU B 4 9.894 -22.931 -25.229 1.00 92.93 N +ATOM 54 H LEU B 4 9.006 -23.390 -25.077 1.00 92.93 H +ATOM 55 CA LEU B 4 10.701 -23.264 -26.409 1.00 92.93 C +ATOM 56 HA LEU B 4 11.750 -23.310 -26.116 1.00 92.93 H +ATOM 57 C LEU B 4 10.618 -22.170 -27.476 1.00 92.93 C +ATOM 58 CB LEU B 4 10.276 -24.620 -27.000 1.00 92.93 C +ATOM 59 HB2 LEU B 4 9.196 -24.611 -27.148 1.00 92.93 H +ATOM 60 HB3 LEU B 4 10.742 -24.725 -27.980 1.00 92.93 H +ATOM 61 O LEU B 4 11.620 -21.889 -28.126 1.00 92.93 O +ATOM 62 CG LEU B 4 10.664 -25.847 -26.158 1.00 92.93 C +ATOM 63 HG LEU B 4 10.222 -25.763 -25.165 1.00 92.93 H +ATOM 64 CD1 LEU B 4 10.124 -27.113 -26.828 1.00 92.93 C +ATOM 65 HD11 LEU B 4 10.351 -27.979 -26.208 1.00 92.93 H +ATOM 66 HD12 LEU B 4 10.590 -27.248 -27.805 1.00 92.93 H +ATOM 67 HD13 LEU B 4 9.043 -27.047 -26.954 1.00 92.93 H +ATOM 68 CD2 LEU B 4 12.181 -26.009 -26.024 1.00 92.93 C +ATOM 69 HD21 LEU B 4 12.647 -26.029 -27.009 1.00 92.93 H +ATOM 70 HD22 LEU B 4 12.595 -25.185 -25.442 1.00 92.93 H +ATOM 71 HD23 LEU B 4 12.406 -26.939 -25.502 1.00 92.93 H +ATOM 72 N ASP B 5 9.446 -21.559 -27.654 1.00 93.68 N +ATOM 73 H ASP B 5 8.665 -21.803 -27.062 1.00 93.68 H +ATOM 74 CA ASP B 5 9.284 -20.424 -28.563 1.00 93.68 C +ATOM 75 HA ASP B 5 9.685 -20.689 -29.541 1.00 93.68 H +ATOM 76 C ASP B 5 10.061 -19.194 -28.073 1.00 93.68 C +ATOM 77 CB ASP B 5 7.795 -20.115 -28.733 1.00 93.68 C +ATOM 78 HB2 ASP B 5 7.270 -21.019 -29.041 1.00 93.68 H +ATOM 79 HB3 ASP B 5 7.372 -19.773 -27.788 1.00 93.68 H +ATOM 80 O ASP B 5 10.826 -18.597 -28.828 1.00 93.68 O +ATOM 81 CG ASP B 5 7.633 -19.048 -29.808 1.00 93.68 C +ATOM 82 OD1 ASP B 5 7.930 -19.394 -30.973 1.00 93.68 O +ATOM 83 OD2 ASP B 5 7.288 -17.904 -29.447 1.00 93.68 O +ATOM 84 N ALA B 6 9.976 -18.894 -26.777 1.00 94.34 N +ATOM 85 H ALA B 6 9.291 -19.378 -26.216 1.00 94.34 H +ATOM 86 CA ALA B 6 10.739 -17.832 -26.133 1.00 94.34 C +ATOM 87 HA ALA B 6 10.459 -16.878 -26.581 1.00 94.34 H +ATOM 88 C ALA B 6 12.256 -18.020 -26.309 1.00 94.34 C +ATOM 89 CB ALA B 6 10.334 -17.827 -24.659 1.00 94.34 C +ATOM 90 HB1 ALA B 6 10.703 -16.928 -24.166 1.00 94.34 H +ATOM 91 HB2 ALA B 6 9.247 -17.846 -24.584 1.00 94.34 H +ATOM 92 HB3 ALA B 6 10.735 -18.704 -24.148 1.00 94.34 H +ATOM 93 O ALA B 6 12.960 -17.082 -26.688 1.00 94.34 O +ATOM 94 N LYS B 7 12.759 -19.251 -26.129 1.00 94.65 N +ATOM 95 H LYS B 7 12.139 -19.959 -25.765 1.00 94.65 H +ATOM 96 CA LYS B 7 14.178 -19.582 -26.345 1.00 94.65 C +ATOM 97 HA LYS B 7 14.786 -18.916 -25.733 1.00 94.65 H +ATOM 98 C LYS B 7 14.640 -19.340 -27.780 1.00 94.65 C +ATOM 99 CB LYS B 7 14.467 -21.035 -25.942 1.00 94.65 C +ATOM 100 HB2 LYS B 7 13.655 -21.685 -26.268 1.00 94.65 H +ATOM 101 HB3 LYS B 7 15.383 -21.355 -26.438 1.00 94.65 H +ATOM 102 O LYS B 7 15.757 -18.870 -27.976 1.00 94.65 O +ATOM 103 CG LYS B 7 14.680 -21.168 -24.431 1.00 94.65 C +ATOM 104 HG2 LYS B 7 13.761 -20.919 -23.900 1.00 94.65 H +ATOM 105 HG3 LYS B 7 15.459 -20.470 -24.121 1.00 94.65 H +ATOM 106 CD LYS B 7 15.125 -22.589 -24.067 1.00 94.65 C +ATOM 107 HD2 LYS B 7 16.040 -22.822 -24.611 1.00 94.65 H +ATOM 108 HD3 LYS B 7 14.343 -23.297 -24.340 1.00 94.65 H +ATOM 109 CE LYS B 7 15.390 -22.648 -22.559 1.00 94.65 C +ATOM 110 HE2 LYS B 7 16.034 -21.810 -22.294 1.00 94.65 H +ATOM 111 HE3 LYS B 7 14.445 -22.507 -22.034 1.00 94.65 H +ATOM 112 NZ LYS B 7 16.032 -23.922 -22.152 1.00 94.65 N +ATOM 113 HZ1 LYS B 7 15.455 -24.714 -22.393 1.00 94.65 H +ATOM 114 HZ2 LYS B 7 16.187 -23.918 -21.153 1.00 94.65 H +ATOM 115 HZ3 LYS B 7 16.935 -24.009 -22.596 1.00 94.65 H +ATOM 116 N LYS B 8 13.803 -19.622 -28.786 1.00 95.58 N +ATOM 117 H LYS B 8 12.882 -19.967 -28.555 1.00 95.58 H +ATOM 118 CA LYS B 8 14.129 -19.325 -30.197 1.00 95.58 C +ATOM 119 HA LYS B 8 15.086 -19.780 -30.453 1.00 95.58 H +ATOM 120 C LYS B 8 14.303 -17.826 -30.452 1.00 95.58 C +ATOM 121 CB LYS B 8 13.045 -19.867 -31.131 1.00 95.58 C +ATOM 122 HB2 LYS B 8 12.071 -19.501 -30.806 1.00 95.58 H +ATOM 123 HB3 LYS B 8 13.221 -19.480 -32.135 1.00 95.58 H +ATOM 124 O LYS B 8 15.057 -17.455 -31.342 1.00 95.58 O +ATOM 125 CG LYS B 8 13.031 -21.397 -31.207 1.00 95.58 C +ATOM 126 HG2 LYS B 8 12.970 -21.829 -30.208 1.00 95.58 H +ATOM 127 HG3 LYS B 8 13.947 -21.746 -31.685 1.00 95.58 H +ATOM 128 CD LYS B 8 11.817 -21.828 -32.031 1.00 95.58 C +ATOM 129 HD2 LYS B 8 10.917 -21.419 -31.573 1.00 95.58 H +ATOM 130 HD3 LYS B 8 11.912 -21.421 -33.038 1.00 95.58 H +ATOM 131 CE LYS B 8 11.707 -23.349 -32.093 1.00 95.58 C +ATOM 132 HE2 LYS B 8 11.604 -23.726 -31.075 1.00 95.58 H +ATOM 133 HE3 LYS B 8 12.626 -23.751 -32.519 1.00 95.58 H +ATOM 134 NZ LYS B 8 10.535 -23.733 -32.916 1.00 95.58 N +ATOM 135 HZ1 LYS B 8 10.643 -23.376 -33.854 1.00 95.58 H +ATOM 136 HZ2 LYS B 8 9.699 -23.316 -32.532 1.00 95.58 H +ATOM 137 HZ3 LYS B 8 10.425 -24.737 -32.954 1.00 95.58 H +ATOM 138 N HIS B 9 13.650 -16.991 -29.648 1.00 96.03 N +ATOM 139 H HIS B 9 13.019 -17.384 -28.964 1.00 96.03 H +ATOM 140 CA HIS B 9 13.740 -15.534 -29.701 1.00 96.03 C +ATOM 141 HA HIS B 9 14.109 -15.244 -30.685 1.00 96.03 H +ATOM 142 C HIS B 9 14.746 -14.952 -28.690 1.00 96.03 C +ATOM 143 CB HIS B 9 12.331 -14.953 -29.561 1.00 96.03 C +ATOM 144 HB2 HIS B 9 12.389 -13.864 -29.556 1.00 96.03 H +ATOM 145 HB3 HIS B 9 11.899 -15.272 -28.613 1.00 96.03 H +ATOM 146 O HIS B 9 14.756 -13.749 -28.451 1.00 96.03 O +ATOM 147 CG HIS B 9 11.427 -15.368 -30.693 1.00 96.03 C +ATOM 148 CD2 HIS B 9 11.248 -14.706 -31.876 1.00 96.03 C +ATOM 149 HD2 HIS B 9 11.730 -13.782 -32.162 1.00 96.03 H +ATOM 150 ND1 HIS B 9 10.627 -16.487 -30.734 1.00 96.03 N +ATOM 151 HD1 HIS B 9 10.480 -17.150 -29.987 1.00 96.03 H +ATOM 152 CE1 HIS B 9 9.958 -16.481 -31.898 1.00 96.03 C +ATOM 153 HE1 HIS B 9 9.202 -17.201 -32.173 1.00 96.03 H +ATOM 154 NE2 HIS B 9 10.324 -15.423 -32.644 1.00 96.03 N +ATOM 155 N GLY B 10 15.613 -15.789 -28.109 1.00 94.67 N +ATOM 156 H GLY B 10 15.549 -16.775 -28.322 1.00 94.67 H +ATOM 157 CA GLY B 10 16.712 -15.353 -27.246 1.00 94.67 C +ATOM 158 HA2 GLY B 10 17.507 -16.097 -27.298 1.00 94.67 H +ATOM 159 HA3 GLY B 10 17.106 -14.406 -27.615 1.00 94.67 H +ATOM 160 C GLY B 10 16.355 -15.163 -25.770 1.00 94.67 C +ATOM 161 O GLY B 10 17.209 -14.712 -25.011 1.00 94.67 O +ATOM 162 N ILE B 11 15.142 -15.525 -25.341 1.00 96.72 N +ATOM 163 H ILE B 11 14.476 -15.898 -26.002 1.00 96.72 H +ATOM 164 CA ILE B 11 14.763 -15.467 -23.925 1.00 96.72 C +ATOM 165 HA ILE B 11 15.206 -14.571 -23.488 1.00 96.72 H +ATOM 166 C ILE B 11 15.332 -16.682 -23.189 1.00 96.72 C +ATOM 167 CB ILE B 11 13.237 -15.344 -23.742 1.00 96.72 C +ATOM 168 HB ILE B 11 12.772 -16.200 -24.229 1.00 96.72 H +ATOM 169 O ILE B 11 14.996 -17.832 -23.485 1.00 96.72 O +ATOM 170 CG1 ILE B 11 12.718 -14.046 -24.401 1.00 96.72 C +ATOM 171 HG12 ILE B 11 13.054 -14.000 -25.437 1.00 96.72 H +ATOM 172 HG13 ILE B 11 13.130 -13.184 -23.877 1.00 96.72 H +ATOM 173 CG2 ILE B 11 12.869 -15.382 -22.245 1.00 96.72 C +ATOM 174 HG21 ILE B 11 13.174 -16.324 -21.791 1.00 96.72 H +ATOM 175 HG22 ILE B 11 13.354 -14.556 -21.723 1.00 96.72 H +ATOM 176 HG23 ILE B 11 11.790 -15.297 -22.109 1.00 96.72 H +ATOM 177 CD1 ILE B 11 11.191 -13.928 -24.424 1.00 96.72 C +ATOM 178 HD11 ILE B 11 10.784 -13.885 -23.414 1.00 96.72 H +ATOM 179 HD12 ILE B 11 10.760 -14.774 -24.959 1.00 96.72 H +ATOM 180 HD13 ILE B 11 10.924 -13.003 -24.934 1.00 96.72 H +ATOM 181 N ASP B 12 16.154 -16.413 -22.177 1.00 95.82 N +ATOM 182 H ASP B 12 16.393 -15.447 -22.009 1.00 95.82 H +ATOM 183 CA ASP B 12 16.695 -17.404 -21.250 1.00 95.82 C +ATOM 184 HA ASP B 12 16.151 -18.342 -21.356 1.00 95.82 H +ATOM 185 C ASP B 12 16.519 -16.912 -19.808 1.00 95.82 C +ATOM 186 CB ASP B 12 18.165 -17.678 -21.598 1.00 95.82 C +ATOM 187 HB2 ASP B 12 18.222 -18.006 -22.636 1.00 95.82 H +ATOM 188 HB3 ASP B 12 18.739 -16.756 -21.507 1.00 95.82 H +ATOM 189 O ASP B 12 17.257 -16.044 -19.343 1.00 95.82 O +ATOM 190 CG ASP B 12 18.808 -18.754 -20.717 1.00 95.82 C +ATOM 191 OD1 ASP B 12 18.151 -19.266 -19.774 1.00 95.82 O +ATOM 192 OD2 ASP B 12 19.980 -19.081 -20.995 1.00 95.82 O +ATOM 193 N LEU B 13 15.549 -17.489 -19.085 1.00 96.06 N +ATOM 194 H LEU B 13 14.983 -18.198 -19.529 1.00 96.06 H +ATOM 195 CA LEU B 13 15.223 -17.096 -17.707 1.00 96.06 C +ATOM 196 HA LEU B 13 14.960 -16.039 -17.698 1.00 96.06 H +ATOM 197 C LEU B 13 16.397 -17.259 -16.734 1.00 96.06 C +ATOM 198 CB LEU B 13 14.032 -17.918 -17.179 1.00 96.06 C +ATOM 199 HB2 LEU B 13 14.314 -18.970 -17.165 1.00 96.06 H +ATOM 200 HB3 LEU B 13 13.852 -17.614 -16.148 1.00 96.06 H +ATOM 201 O LEU B 13 16.434 -16.571 -15.719 1.00 96.06 O +ATOM 202 CG LEU B 13 12.713 -17.773 -17.952 1.00 96.06 C +ATOM 203 HG LEU B 13 12.833 -18.193 -18.950 1.00 96.06 H +ATOM 204 CD1 LEU B 13 11.635 -18.568 -17.219 1.00 96.06 C +ATOM 205 HD11 LEU B 13 10.720 -18.570 -17.811 1.00 96.06 H +ATOM 206 HD12 LEU B 13 11.955 -19.599 -17.069 1.00 96.06 H +ATOM 207 HD13 LEU B 13 11.424 -18.116 -16.250 1.00 96.06 H +ATOM 208 CD2 LEU B 13 12.258 -16.319 -18.079 1.00 96.06 C +ATOM 209 HD21 LEU B 13 11.264 -16.279 -18.523 1.00 96.06 H +ATOM 210 HD22 LEU B 13 12.949 -15.774 -18.723 1.00 96.06 H +ATOM 211 HD23 LEU B 13 12.239 -15.852 -17.095 1.00 96.06 H +ATOM 212 N SER B 14 17.369 -18.128 -17.033 1.00 93.74 N +ATOM 213 H SER B 14 17.349 -18.597 -17.926 1.00 93.74 H +ATOM 214 CA SER B 14 18.564 -18.281 -16.190 1.00 93.74 C +ATOM 215 HA SER B 14 18.247 -18.363 -15.151 1.00 93.74 H +ATOM 216 C SER B 14 19.515 -17.080 -16.273 1.00 93.74 C +ATOM 217 CB SER B 14 19.305 -19.567 -16.560 1.00 93.74 C +ATOM 218 HB2 SER B 14 18.605 -20.402 -16.572 1.00 93.74 H +ATOM 219 HB3 SER B 14 20.059 -19.761 -15.797 1.00 93.74 H +ATOM 220 O SER B 14 20.367 -16.897 -15.404 1.00 93.74 O +ATOM 221 OG SER B 14 19.953 -19.470 -17.814 1.00 93.74 O +ATOM 222 HG SER B 14 19.316 -19.461 -18.533 1.00 93.74 H +ATOM 223 N ARG B 15 19.364 -16.256 -17.316 1.00 94.85 N +ATOM 224 H ARG B 15 18.635 -16.482 -17.977 1.00 94.85 H +ATOM 225 CA ARG B 15 20.152 -15.046 -17.579 1.00 94.85 C +ATOM 226 HA ARG B 15 21.010 -15.013 -16.908 1.00 94.85 H +ATOM 227 C ARG B 15 19.375 -13.760 -17.322 1.00 94.85 C +ATOM 228 CB ARG B 15 20.637 -15.092 -19.030 1.00 94.85 C +ATOM 229 HB2 ARG B 15 19.784 -15.208 -19.698 1.00 94.85 H +ATOM 230 HB3 ARG B 15 21.131 -14.149 -19.266 1.00 94.85 H +ATOM 231 O ARG B 15 19.958 -12.678 -17.367 1.00 94.85 O +ATOM 232 CG ARG B 15 21.633 -16.233 -19.260 1.00 94.85 C +ATOM 233 HG2 ARG B 15 22.495 -16.070 -18.612 1.00 94.85 H +ATOM 234 HG3 ARG B 15 21.187 -17.198 -19.018 1.00 94.85 H +ATOM 235 CD ARG B 15 22.070 -16.240 -20.727 1.00 94.85 C +ATOM 236 HD2 ARG B 15 21.941 -15.239 -21.137 1.00 94.85 H +ATOM 237 HD3 ARG B 15 21.431 -16.928 -21.280 1.00 94.85 H +ATOM 238 NE ARG B 15 23.482 -16.638 -20.852 1.00 94.85 N +ATOM 239 HE ARG B 15 23.870 -17.138 -20.065 1.00 94.85 H +ATOM 240 NH1 ARG B 15 23.791 -15.870 -22.986 1.00 94.85 N +ATOM 241 HH11 ARG B 15 22.799 -15.685 -23.027 1.00 94.85 H +ATOM 242 HH12 ARG B 15 24.379 -15.712 -23.792 1.00 94.85 H +ATOM 243 NH2 ARG B 15 25.527 -16.699 -21.845 1.00 94.85 N +ATOM 244 HH21 ARG B 15 26.121 -16.504 -22.638 1.00 94.85 H +ATOM 245 HH22 ARG B 15 25.905 -17.124 -21.010 1.00 94.85 H +ATOM 246 CZ ARG B 15 24.258 -16.401 -21.890 1.00 94.85 C +ATOM 247 N GLU B 16 18.077 -13.861 -17.066 1.00 96.41 N +ATOM 248 H GLU B 16 17.666 -14.782 -17.009 1.00 96.41 H +ATOM 249 CA GLU B 16 17.246 -12.714 -16.735 1.00 96.41 C +ATOM 250 HA GLU B 16 17.435 -11.930 -17.468 1.00 96.41 H +ATOM 251 C GLU B 16 17.615 -12.161 -15.360 1.00 96.41 C +ATOM 252 CB GLU B 16 15.760 -13.091 -16.792 1.00 96.41 C +ATOM 253 HB2 GLU B 16 15.186 -12.376 -16.204 1.00 96.41 H +ATOM 254 HB3 GLU B 16 15.613 -14.074 -16.344 1.00 96.41 H +ATOM 255 O GLU B 16 17.767 -12.892 -14.379 1.00 96.41 O +ATOM 256 CG GLU B 16 15.213 -13.095 -18.228 1.00 96.41 C +ATOM 257 HG2 GLU B 16 15.832 -13.742 -18.849 1.00 96.41 H +ATOM 258 HG3 GLU B 16 14.213 -13.528 -18.190 1.00 96.41 H +ATOM 259 CD GLU B 16 15.134 -11.687 -18.852 1.00 96.41 C +ATOM 260 OE1 GLU B 16 14.886 -11.583 -20.069 1.00 96.41 O +ATOM 261 OE2 GLU B 16 15.330 -10.689 -18.109 1.00 96.41 O +ATOM 262 N ARG B 17 17.722 -10.832 -15.259 1.00 96.34 N +ATOM 263 H ARG B 17 17.592 -10.279 -16.094 1.00 96.34 H +ATOM 264 CA ARG B 17 17.920 -10.189 -13.956 1.00 96.34 C +ATOM 265 HA ARG B 17 18.802 -10.642 -13.503 1.00 96.34 H +ATOM 266 C ARG B 17 16.717 -10.491 -13.065 1.00 96.34 C +ATOM 267 CB ARG B 17 18.141 -8.678 -14.120 1.00 96.34 C +ATOM 268 HB2 ARG B 17 18.868 -8.508 -14.914 1.00 96.34 H +ATOM 269 HB3 ARG B 17 17.204 -8.196 -14.396 1.00 96.34 H +ATOM 270 O ARG B 17 15.583 -10.298 -13.512 1.00 96.34 O +ATOM 271 CG ARG B 17 18.686 -8.071 -12.818 1.00 96.34 C +ATOM 272 HG2 ARG B 17 18.023 -8.291 -11.982 1.00 96.34 H +ATOM 273 HG3 ARG B 17 19.654 -8.528 -12.611 1.00 96.34 H +ATOM 274 CD ARG B 17 18.884 -6.555 -12.915 1.00 96.34 C +ATOM 275 HD2 ARG B 17 19.637 -6.277 -12.177 1.00 96.34 H +ATOM 276 HD3 ARG B 17 19.259 -6.299 -13.906 1.00 96.34 H +ATOM 277 NE ARG B 17 17.641 -5.814 -12.625 1.00 96.34 N +ATOM 278 HE ARG B 17 16.801 -6.362 -12.511 1.00 96.34 H +ATOM 279 NH1 ARG B 17 18.596 -3.731 -12.444 1.00 96.34 N +ATOM 280 HH11 ARG B 17 19.491 -4.132 -12.682 1.00 96.34 H +ATOM 281 HH12 ARG B 17 18.505 -2.743 -12.255 1.00 96.34 H +ATOM 282 NH2 ARG B 17 16.409 -3.978 -12.077 1.00 96.34 N +ATOM 283 HH21 ARG B 17 15.584 -4.558 -12.015 1.00 96.34 H +ATOM 284 HH22 ARG B 17 16.338 -2.991 -11.883 1.00 96.34 H +ATOM 285 CZ ARG B 17 17.553 -4.517 -12.387 1.00 96.34 C +ATOM 286 N ALA B 18 16.952 -10.874 -11.811 1.00 95.92 N +ATOM 287 H ALA B 18 17.900 -11.081 -11.530 1.00 95.92 H +ATOM 288 CA ALA B 18 15.876 -11.091 -10.847 1.00 95.92 C +ATOM 289 HA ALA B 18 15.338 -11.983 -11.168 1.00 95.92 H +ATOM 290 C ALA B 18 14.899 -9.891 -10.802 1.00 95.92 C +ATOM 291 CB ALA B 18 16.480 -11.375 -9.467 1.00 95.92 C +ATOM 292 HB1 ALA B 18 17.142 -12.239 -9.518 1.00 95.92 H +ATOM 293 HB2 ALA B 18 17.039 -10.506 -9.118 1.00 95.92 H +ATOM 294 HB3 ALA B 18 15.683 -11.585 -8.755 1.00 95.92 H +ATOM 295 O ALA B 18 15.318 -8.745 -11.038 1.00 95.92 O +ATOM 296 N PRO B 19 13.602 -10.132 -10.535 1.00 96.85 N +ATOM 297 CA PRO B 19 12.653 -9.058 -10.269 1.00 96.85 C +ATOM 298 HA PRO B 19 12.520 -8.463 -11.173 1.00 96.85 H +ATOM 299 C PRO B 19 13.141 -8.161 -9.125 1.00 96.85 C +ATOM 300 CB PRO B 19 11.330 -9.742 -9.912 1.00 96.85 C +ATOM 301 HB2 PRO B 19 11.205 -9.786 -8.830 1.00 96.85 H +ATOM 302 HB3 PRO B 19 10.487 -9.220 -10.361 1.00 96.85 H +ATOM 303 O PRO B 19 13.876 -8.611 -8.248 1.00 96.85 O +ATOM 304 CG PRO B 19 11.466 -11.166 -10.450 1.00 96.85 C +ATOM 305 HG2 PRO B 19 11.147 -11.210 -11.490 1.00 96.85 H +ATOM 306 HG3 PRO B 19 10.901 -11.878 -9.849 1.00 96.85 H +ATOM 307 CD PRO B 19 12.964 -11.431 -10.369 1.00 96.85 C +ATOM 308 HD2 PRO B 19 13.211 -11.838 -9.389 1.00 96.85 H +ATOM 309 HD3 PRO B 19 13.246 -12.132 -11.155 1.00 96.85 H +ATOM 310 N ASN B 20 12.720 -6.897 -9.113 1.00 95.19 N +ATOM 311 H ASN B 20 12.031 -6.608 -9.792 1.00 95.19 H +ATOM 312 CA ASN B 20 12.897 -6.056 -7.934 1.00 95.19 C +ATOM 313 HA ASN B 20 13.784 -6.366 -7.382 1.00 95.19 H +ATOM 314 C ASN B 20 11.679 -6.247 -7.028 1.00 95.19 C +ATOM 315 CB ASN B 20 13.086 -4.593 -8.358 1.00 95.19 C +ATOM 316 HB2 ASN B 20 12.180 -4.239 -8.851 1.00 95.19 H +ATOM 317 HB3 ASN B 20 13.924 -4.516 -9.051 1.00 95.19 H +ATOM 318 O ASN B 20 10.597 -5.766 -7.358 1.00 95.19 O +ATOM 319 CG ASN B 20 13.384 -3.709 -7.160 1.00 95.19 C +ATOM 320 ND2 ASN B 20 13.063 -2.441 -7.229 1.00 95.19 N +ATOM 321 HD21 ASN B 20 12.485 -2.104 -7.986 1.00 95.19 H +ATOM 322 HD22 ASN B 20 13.216 -1.913 -6.381 1.00 95.19 H +ATOM 323 OD1 ASN B 20 13.943 -4.130 -6.166 1.00 95.19 O +ATOM 324 N PHE B 21 11.838 -6.975 -5.930 1.00 95.33 N +ATOM 325 H PHE B 21 12.758 -7.305 -5.675 1.00 95.33 H +ATOM 326 CA PHE B 21 10.738 -7.323 -5.036 1.00 95.33 C +ATOM 327 HA PHE B 21 9.904 -6.643 -5.212 1.00 95.33 H +ATOM 328 C PHE B 21 11.150 -7.159 -3.575 1.00 95.33 C +ATOM 329 CB PHE B 21 10.248 -8.746 -5.347 1.00 95.33 C +ATOM 330 HB2 PHE B 21 9.298 -8.907 -4.836 1.00 95.33 H +ATOM 331 HB3 PHE B 21 10.054 -8.825 -6.417 1.00 95.33 H +ATOM 332 O PHE B 21 12.335 -7.132 -3.242 1.00 95.33 O +ATOM 333 CG PHE B 21 11.210 -9.842 -4.931 1.00 95.33 C +ATOM 334 CD1 PHE B 21 12.255 -10.237 -5.787 1.00 95.33 C +ATOM 335 HD1 PHE B 21 12.340 -9.791 -6.766 1.00 95.33 H +ATOM 336 CD2 PHE B 21 11.092 -10.433 -3.662 1.00 95.33 C +ATOM 337 HD2 PHE B 21 10.296 -10.142 -2.993 1.00 95.33 H +ATOM 338 CE1 PHE B 21 13.195 -11.193 -5.370 1.00 95.33 C +ATOM 339 HE1 PHE B 21 14.005 -11.470 -6.028 1.00 95.33 H +ATOM 340 CE2 PHE B 21 12.038 -11.375 -3.239 1.00 95.33 C +ATOM 341 HE2 PHE B 21 11.958 -11.766 -2.236 1.00 95.33 H +ATOM 342 CZ PHE B 21 13.090 -11.763 -4.090 1.00 95.33 C +ATOM 343 HZ PHE B 21 13.825 -12.476 -3.749 1.00 95.33 H +ATOM 344 N VAL B 22 10.149 -7.063 -2.705 1.00 94.67 N +ATOM 345 H VAL B 22 9.201 -7.129 -3.047 1.00 94.67 H +ATOM 346 CA VAL B 22 10.309 -7.106 -1.253 1.00 94.67 C +ATOM 347 HA VAL B 22 11.331 -7.398 -1.013 1.00 94.67 H +ATOM 348 C VAL B 22 9.393 -8.187 -0.703 1.00 94.67 C +ATOM 349 CB VAL B 22 10.041 -5.741 -0.588 1.00 94.67 C +ATOM 350 HB VAL B 22 10.077 -5.880 0.493 1.00 94.67 H +ATOM 351 O VAL B 22 8.240 -8.297 -1.117 1.00 94.67 O +ATOM 352 CG1 VAL B 22 11.139 -4.736 -0.959 1.00 94.67 C +ATOM 353 HG11 VAL B 22 11.112 -4.526 -2.029 1.00 94.67 H +ATOM 354 HG12 VAL B 22 10.994 -3.809 -0.406 1.00 94.67 H +ATOM 355 HG13 VAL B 22 12.116 -5.150 -0.707 1.00 94.67 H +ATOM 356 CG2 VAL B 22 8.682 -5.121 -0.942 1.00 94.67 C +ATOM 357 HG21 VAL B 22 7.875 -5.790 -0.642 1.00 94.67 H +ATOM 358 HG22 VAL B 22 8.610 -4.938 -2.015 1.00 94.67 H +ATOM 359 HG23 VAL B 22 8.559 -4.176 -0.412 1.00 94.67 H +ATOM 360 N ASP B 23 9.902 -8.989 0.225 1.00 95.35 N +ATOM 361 H ASP B 23 10.861 -8.878 0.521 1.00 95.35 H +ATOM 362 CA ASP B 23 9.058 -9.910 0.978 1.00 95.35 C +ATOM 363 HA ASP B 23 8.313 -10.348 0.315 1.00 95.35 H +ATOM 364 C ASP B 23 8.330 -9.113 2.060 1.00 95.35 C +ATOM 365 CB ASP B 23 9.891 -11.060 1.557 1.00 95.35 C +ATOM 366 HB2 ASP B 23 9.262 -11.644 2.228 1.00 95.35 H +ATOM 367 HB3 ASP B 23 10.721 -10.655 2.133 1.00 95.35 H +ATOM 368 O ASP B 23 8.942 -8.606 3.006 1.00 95.35 O +ATOM 369 CG ASP B 23 10.420 -11.990 0.464 1.00 95.35 C +ATOM 370 OD1 ASP B 23 9.648 -12.394 -0.430 1.00 95.35 O +ATOM 371 OD2 ASP B 23 11.619 -12.345 0.498 1.00 95.35 O +ATOM 372 N HIS B 24 7.019 -8.941 1.893 1.00 94.74 N +ATOM 373 H HIS B 24 6.572 -9.345 1.083 1.00 94.74 H +ATOM 374 CA HIS B 24 6.219 -8.178 2.841 1.00 94.74 C +ATOM 375 HA HIS B 24 6.736 -7.231 3.001 1.00 94.74 H +ATOM 376 C HIS B 24 6.098 -8.927 4.179 1.00 94.74 C +ATOM 377 CB HIS B 24 4.842 -7.862 2.253 1.00 94.74 C +ATOM 378 HB2 HIS B 24 4.373 -8.794 1.938 1.00 94.74 H +ATOM 379 HB3 HIS B 24 4.219 -7.418 3.029 1.00 94.74 H +ATOM 380 O HIS B 24 5.783 -10.119 4.192 1.00 94.74 O +ATOM 381 CG HIS B 24 4.892 -6.913 1.085 1.00 94.74 C +ATOM 382 CD2 HIS B 24 4.781 -7.232 -0.243 1.00 94.74 C +ATOM 383 HD2 HIS B 24 4.651 -8.224 -0.651 1.00 94.74 H +ATOM 384 ND1 HIS B 24 5.049 -5.548 1.162 1.00 94.74 N +ATOM 385 HD1 HIS B 24 5.144 -5.007 2.010 1.00 94.74 H +ATOM 386 CE1 HIS B 24 5.028 -5.056 -0.087 1.00 94.74 C +ATOM 387 HE1 HIS B 24 5.123 -4.013 -0.348 1.00 94.74 H +ATOM 388 NE2 HIS B 24 4.861 -6.044 -0.976 1.00 94.74 N +ATOM 389 N PRO B 25 6.302 -8.249 5.322 1.00 95.64 N +ATOM 390 CA PRO B 25 6.150 -8.880 6.625 1.00 95.64 C +ATOM 391 HA PRO B 25 6.761 -9.781 6.669 1.00 95.64 H +ATOM 392 C PRO B 25 4.686 -9.256 6.884 1.00 95.64 C +ATOM 393 CB PRO B 25 6.681 -7.857 7.634 1.00 95.64 C +ATOM 394 HB2 PRO B 25 6.168 -7.918 8.594 1.00 95.64 H +ATOM 395 HB3 PRO B 25 7.753 -8.004 7.766 1.00 95.64 H +ATOM 396 O PRO B 25 3.768 -8.515 6.533 1.00 95.64 O +ATOM 397 CG PRO B 25 6.433 -6.516 6.942 1.00 95.64 C +ATOM 398 HG2 PRO B 25 5.402 -6.205 7.106 1.00 95.64 H +ATOM 399 HG3 PRO B 25 7.125 -5.748 7.288 1.00 95.64 H +ATOM 400 CD PRO B 25 6.641 -6.842 5.465 1.00 95.64 C +ATOM 401 HD2 PRO B 25 7.686 -6.693 5.195 1.00 95.64 H +ATOM 402 HD3 PRO B 25 5.995 -6.211 4.854 1.00 95.64 H +ATOM 403 N GLY B 26 4.471 -10.393 7.546 1.00 96.44 N +ATOM 404 H GLY B 26 5.265 -10.978 7.762 1.00 96.44 H +ATOM 405 CA GLY B 26 3.138 -10.864 7.939 1.00 96.44 C +ATOM 406 HA2 GLY B 26 3.232 -11.486 8.829 1.00 96.44 H +ATOM 407 HA3 GLY B 26 2.513 -10.007 8.192 1.00 96.44 H +ATOM 408 C GLY B 26 2.393 -11.682 6.880 1.00 96.44 C +ATOM 409 O GLY B 26 1.310 -12.177 7.178 1.00 96.44 O +ATOM 410 N ILE B 27 2.969 -11.877 5.689 1.00 96.29 N +ATOM 411 H ILE B 27 3.863 -11.449 5.497 1.00 96.29 H +ATOM 412 CA ILE B 27 2.445 -12.796 4.670 1.00 96.29 C +ATOM 413 HA ILE B 27 1.635 -13.369 5.122 1.00 96.29 H +ATOM 414 C ILE B 27 3.520 -13.804 4.236 1.00 96.29 C +ATOM 415 CB ILE B 27 1.836 -12.041 3.467 1.00 96.29 C +ATOM 416 HB ILE B 27 1.447 -12.792 2.781 1.00 96.29 H +ATOM 417 O ILE B 27 4.711 -13.495 4.336 1.00 96.29 O +ATOM 418 CG1 ILE B 27 2.872 -11.196 2.696 1.00 96.29 C +ATOM 419 HG12 ILE B 27 3.724 -11.822 2.431 1.00 96.29 H +ATOM 420 HG13 ILE B 27 3.228 -10.382 3.330 1.00 96.29 H +ATOM 421 CG2 ILE B 27 0.642 -11.188 3.935 1.00 96.29 C +ATOM 422 HG21 ILE B 27 0.084 -10.817 3.075 1.00 96.29 H +ATOM 423 HG22 ILE B 27 -0.030 -11.792 4.544 1.00 96.29 H +ATOM 424 HG23 ILE B 27 0.990 -10.341 4.526 1.00 96.29 H +ATOM 425 CD1 ILE B 27 2.310 -10.611 1.393 1.00 96.29 C +ATOM 426 HD11 ILE B 27 3.125 -10.227 0.778 1.00 96.29 H +ATOM 427 HD12 ILE B 27 1.797 -11.389 0.828 1.00 96.29 H +ATOM 428 HD13 ILE B 27 1.616 -9.799 1.610 1.00 96.29 H +ATOM 429 N PRO B 28 3.139 -15.008 3.765 1.00 95.67 N +ATOM 430 CA PRO B 28 4.099 -15.957 3.216 1.00 95.67 C +ATOM 431 HA PRO B 28 4.782 -16.236 4.019 1.00 95.67 H +ATOM 432 C PRO B 28 4.858 -15.344 2.030 1.00 95.67 C +ATOM 433 CB PRO B 28 3.294 -17.189 2.790 1.00 95.67 C +ATOM 434 HB2 PRO B 28 3.845 -18.113 2.973 1.00 95.67 H +ATOM 435 HB3 PRO B 28 3.015 -17.118 1.739 1.00 95.67 H +ATOM 436 O PRO B 28 4.224 -14.733 1.162 1.00 95.67 O +ATOM 437 CG PRO B 28 2.036 -17.101 3.649 1.00 95.67 C +ATOM 438 HG2 PRO B 28 1.189 -17.603 3.181 1.00 95.67 H +ATOM 439 HG3 PRO B 28 2.235 -17.521 4.636 1.00 95.67 H +ATOM 440 CD PRO B 28 1.807 -15.596 3.770 1.00 95.67 C +ATOM 441 HD2 PRO B 28 1.265 -15.382 4.690 1.00 95.67 H +ATOM 442 HD3 PRO B 28 1.248 -15.236 2.905 1.00 95.67 H +ATOM 443 N PRO B 29 6.192 -15.507 1.964 1.00 96.78 N +ATOM 444 CA PRO B 29 6.967 -15.014 0.837 1.00 96.78 C +ATOM 445 HA PRO B 29 6.802 -13.943 0.716 1.00 96.78 H +ATOM 446 C PRO B 29 6.556 -15.731 -0.452 1.00 96.78 C +ATOM 447 CB PRO B 29 8.431 -15.256 1.202 1.00 96.78 C +ATOM 448 HB2 PRO B 29 9.043 -15.453 0.321 1.00 96.78 H +ATOM 449 HB3 PRO B 29 8.816 -14.390 1.741 1.00 96.78 H +ATOM 450 O PRO B 29 6.247 -16.922 -0.454 1.00 96.78 O +ATOM 451 CG PRO B 29 8.355 -16.452 2.150 1.00 96.78 C +ATOM 452 HG2 PRO B 29 8.265 -17.370 1.571 1.00 96.78 H +ATOM 453 HG3 PRO B 29 9.208 -16.496 2.827 1.00 96.78 H +ATOM 454 CD PRO B 29 7.043 -16.233 2.895 1.00 96.78 C +ATOM 455 HD2 PRO B 29 6.609 -17.194 3.170 1.00 96.78 H +ATOM 456 HD3 PRO B 29 7.215 -15.621 3.779 1.00 96.78 H +ATOM 457 N SER B 30 6.559 -14.987 -1.554 1.00 97.92 N +ATOM 458 H SER B 30 6.827 -14.016 -1.481 1.00 97.92 H +ATOM 459 CA SER B 30 6.278 -15.533 -2.878 1.00 97.92 C +ATOM 460 HA SER B 30 5.389 -16.162 -2.828 1.00 97.92 H +ATOM 461 C SER B 30 7.443 -16.391 -3.370 1.00 97.92 C +ATOM 462 CB SER B 30 6.015 -14.391 -3.850 1.00 97.92 C +ATOM 463 HB2 SER B 30 6.865 -13.710 -3.820 1.00 97.92 H +ATOM 464 HB3 SER B 30 5.909 -14.785 -4.861 1.00 97.92 H +ATOM 465 O SER B 30 8.606 -15.971 -3.321 1.00 97.92 O +ATOM 466 OG SER B 30 4.845 -13.684 -3.492 1.00 97.92 O +ATOM 467 HG SER B 30 4.254 -14.286 -3.033 1.00 97.92 H +ATOM 468 N ASP B 31 7.116 -17.581 -3.863 1.00 98.10 N +ATOM 469 H ASP B 31 6.148 -17.867 -3.886 1.00 98.10 H +ATOM 470 CA ASP B 31 8.067 -18.624 -4.236 1.00 98.10 C +ATOM 471 HA ASP B 31 9.041 -18.370 -3.818 1.00 98.10 H +ATOM 472 C ASP B 31 8.268 -18.771 -5.752 1.00 98.10 C +ATOM 473 CB ASP B 31 7.638 -19.935 -3.571 1.00 98.10 C +ATOM 474 HB2 ASP B 31 8.442 -20.655 -3.713 1.00 98.10 H +ATOM 475 HB3 ASP B 31 7.501 -19.771 -2.503 1.00 98.10 H +ATOM 476 O ASP B 31 9.144 -19.518 -6.186 1.00 98.10 O +ATOM 477 CG ASP B 31 6.368 -20.541 -4.142 1.00 98.10 C +ATOM 478 OD1 ASP B 31 5.412 -19.780 -4.409 1.00 98.10 O +ATOM 479 OD2 ASP B 31 6.383 -21.785 -4.299 1.00 98.10 O +ATOM 480 N CYS B 32 7.532 -18.009 -6.564 1.00 98.45 N +ATOM 481 H CYS B 32 6.769 -17.487 -6.158 1.00 98.45 H +ATOM 482 CA CYS B 32 7.690 -17.944 -8.012 1.00 98.45 C +ATOM 483 HA CYS B 32 8.461 -18.646 -8.329 1.00 98.45 H +ATOM 484 C CYS B 32 8.105 -16.545 -8.473 1.00 98.45 C +ATOM 485 CB CYS B 32 6.379 -18.355 -8.681 1.00 98.45 C +ATOM 486 HB2 CYS B 32 5.611 -17.639 -8.394 1.00 98.45 H +ATOM 487 HB3 CYS B 32 6.498 -18.305 -9.764 1.00 98.45 H +ATOM 488 O CYS B 32 7.618 -15.533 -7.969 1.00 98.45 O +ATOM 489 SG CYS B 32 5.768 -19.996 -8.248 1.00 98.45 S +ATOM 490 N PHE B 33 8.964 -16.488 -9.487 1.00 98.47 N +ATOM 491 H PHE B 33 9.320 -17.361 -9.849 1.00 98.47 H +ATOM 492 CA PHE B 33 9.205 -15.296 -10.294 1.00 98.47 C +ATOM 493 HA PHE B 33 8.852 -14.407 -9.769 1.00 98.47 H +ATOM 494 C PHE B 33 8.418 -15.389 -11.592 1.00 98.47 C +ATOM 495 CB PHE B 33 10.705 -15.144 -10.588 1.00 98.47 C +ATOM 496 HB2 PHE B 33 10.829 -14.326 -11.299 1.00 98.47 H +ATOM 497 HB3 PHE B 33 11.051 -16.057 -11.072 1.00 98.47 H +ATOM 498 O PHE B 33 8.438 -16.434 -12.238 1.00 98.47 O +ATOM 499 CG PHE B 33 11.612 -14.860 -9.406 1.00 98.47 C +ATOM 500 CD1 PHE B 33 11.102 -14.347 -8.200 1.00 98.47 C +ATOM 501 HD1 PHE B 33 10.037 -14.236 -8.058 1.00 98.47 H +ATOM 502 CD2 PHE B 33 12.998 -15.065 -9.535 1.00 98.47 C +ATOM 503 HD2 PHE B 33 13.397 -15.477 -10.451 1.00 98.47 H +ATOM 504 CE1 PHE B 33 11.966 -13.974 -7.160 1.00 98.47 C +ATOM 505 HE1 PHE B 33 11.563 -13.543 -6.256 1.00 98.47 H +ATOM 506 CE2 PHE B 33 13.864 -14.730 -8.480 1.00 98.47 C +ATOM 507 HE2 PHE B 33 14.928 -14.887 -8.584 1.00 98.47 H +ATOM 508 CZ PHE B 33 13.350 -14.163 -7.301 1.00 98.47 C +ATOM 509 HZ PHE B 33 14.013 -13.885 -6.496 1.00 98.47 H +ATOM 510 N TRP B 34 7.787 -14.290 -12.001 1.00 98.51 N +ATOM 511 H TRP B 34 7.825 -13.467 -11.417 1.00 98.51 H +ATOM 512 CA TRP B 34 7.195 -14.144 -13.329 1.00 98.51 C +ATOM 513 HA TRP B 34 7.321 -15.080 -13.874 1.00 98.51 H +ATOM 514 C TRP B 34 7.922 -13.059 -14.121 1.00 98.51 C +ATOM 515 CB TRP B 34 5.685 -13.894 -13.230 1.00 98.51 C +ATOM 516 HB2 TRP B 34 5.227 -14.765 -12.761 1.00 98.51 H +ATOM 517 HB3 TRP B 34 5.280 -13.820 -14.239 1.00 98.51 H +ATOM 518 O TRP B 34 8.353 -12.051 -13.565 1.00 98.51 O +ATOM 519 CG TRP B 34 5.265 -12.679 -12.466 1.00 98.51 C +ATOM 520 CD1 TRP B 34 4.803 -12.686 -11.196 1.00 98.51 C +ATOM 521 HD1 TRP B 34 4.680 -13.571 -10.591 1.00 98.51 H +ATOM 522 CD2 TRP B 34 5.251 -11.282 -12.891 1.00 98.51 C +ATOM 523 CE2 TRP B 34 4.769 -10.489 -11.805 1.00 98.51 C +ATOM 524 CE3 TRP B 34 5.606 -10.602 -14.079 1.00 98.51 C +ATOM 525 HE3 TRP B 34 5.955 -11.171 -14.927 1.00 98.51 H +ATOM 526 NE1 TRP B 34 4.495 -11.399 -10.804 1.00 98.51 N +ATOM 527 HE1 TRP B 34 4.102 -11.189 -9.898 1.00 98.51 H +ATOM 528 CH2 TRP B 34 5.074 -8.443 -13.067 1.00 98.51 C +ATOM 529 HH2 TRP B 34 5.022 -7.366 -13.135 1.00 98.51 H +ATOM 530 CZ2 TRP B 34 4.673 -9.092 -11.887 1.00 98.51 C +ATOM 531 HZ2 TRP B 34 4.306 -8.520 -11.047 1.00 98.51 H +ATOM 532 CZ3 TRP B 34 5.527 -9.198 -14.163 1.00 98.51 C +ATOM 533 HZ3 TRP B 34 5.817 -8.691 -15.071 1.00 98.51 H +ATOM 534 N PHE B 35 8.038 -13.259 -15.431 1.00 98.47 N +ATOM 535 H PHE B 35 7.703 -14.139 -15.796 1.00 98.47 H +ATOM 536 CA PHE B 35 8.662 -12.336 -16.376 1.00 98.47 C +ATOM 537 HA PHE B 35 8.888 -11.390 -15.884 1.00 98.47 H +ATOM 538 C PHE B 35 7.691 -12.073 -17.523 1.00 98.47 C +ATOM 539 CB PHE B 35 9.971 -12.937 -16.903 1.00 98.47 C +ATOM 540 HB2 PHE B 35 9.748 -13.877 -17.408 1.00 98.47 H +ATOM 541 HB3 PHE B 35 10.389 -12.248 -17.638 1.00 98.47 H +ATOM 542 O PHE B 35 7.272 -13.010 -18.203 1.00 98.47 O +ATOM 543 CG PHE B 35 11.015 -13.211 -15.846 1.00 98.47 C +ATOM 544 CD1 PHE B 35 12.006 -12.254 -15.568 1.00 98.47 C +ATOM 545 HD1 PHE B 35 12.030 -11.328 -16.122 1.00 98.47 H +ATOM 546 CD2 PHE B 35 10.999 -14.428 -15.141 1.00 98.47 C +ATOM 547 HD2 PHE B 35 10.235 -15.166 -15.341 1.00 98.47 H +ATOM 548 CE1 PHE B 35 12.973 -12.509 -14.581 1.00 98.47 C +ATOM 549 HE1 PHE B 35 13.741 -11.780 -14.371 1.00 98.47 H +ATOM 550 CE2 PHE B 35 11.977 -14.685 -14.167 1.00 98.47 C +ATOM 551 HE2 PHE B 35 11.966 -15.619 -13.624 1.00 98.47 H +ATOM 552 CZ PHE B 35 12.965 -13.730 -13.887 1.00 98.47 C +ATOM 553 HZ PHE B 35 13.722 -13.937 -13.144 1.00 98.47 H +ATOM 554 N LEU B 36 7.333 -10.807 -17.729 1.00 98.31 N +ATOM 555 H LEU B 36 7.770 -10.085 -17.172 1.00 98.31 H +ATOM 556 CA LEU B 36 6.376 -10.379 -18.743 1.00 98.31 C +ATOM 557 HA LEU B 36 5.827 -11.252 -19.095 1.00 98.31 H +ATOM 558 C LEU B 36 7.112 -9.760 -19.932 1.00 98.31 C +ATOM 559 CB LEU B 36 5.374 -9.405 -18.100 1.00 98.31 C +ATOM 560 HB2 LEU B 36 4.935 -9.876 -17.221 1.00 98.31 H +ATOM 561 HB3 LEU B 36 5.919 -8.522 -17.765 1.00 98.31 H +ATOM 562 O LEU B 36 7.917 -8.843 -19.773 1.00 98.31 O +ATOM 563 CG LEU B 36 4.237 -8.961 -19.038 1.00 98.31 C +ATOM 564 HG LEU B 36 4.658 -8.570 -19.964 1.00 98.31 H +ATOM 565 CD1 LEU B 36 3.285 -10.110 -19.366 1.00 98.31 C +ATOM 566 HD11 LEU B 36 2.882 -10.535 -18.448 1.00 98.31 H +ATOM 567 HD12 LEU B 36 2.463 -9.745 -19.983 1.00 98.31 H +ATOM 568 HD13 LEU B 36 3.806 -10.890 -19.923 1.00 98.31 H +ATOM 569 CD2 LEU B 36 3.422 -7.849 -18.379 1.00 98.31 C +ATOM 570 HD21 LEU B 36 3.005 -8.201 -17.436 1.00 98.31 H +ATOM 571 HD22 LEU B 36 4.063 -6.991 -18.178 1.00 98.31 H +ATOM 572 HD23 LEU B 36 2.607 -7.540 -19.033 1.00 98.31 H +ATOM 573 N TYR B 37 6.791 -10.220 -21.136 1.00 98.18 N +ATOM 574 H TYR B 37 6.114 -10.968 -21.188 1.00 98.18 H +ATOM 575 CA TYR B 37 7.391 -9.785 -22.392 1.00 98.18 C +ATOM 576 HA TYR B 37 8.075 -8.960 -22.196 1.00 98.18 H +ATOM 577 C TYR B 37 6.315 -9.296 -23.355 1.00 98.18 C +ATOM 578 CB TYR B 37 8.195 -10.923 -23.041 1.00 98.18 C +ATOM 579 HB2 TYR B 37 7.503 -11.708 -23.345 1.00 98.18 H +ATOM 580 HB3 TYR B 37 8.669 -10.542 -23.945 1.00 98.18 H +ATOM 581 O TYR B 37 5.199 -9.819 -23.390 1.00 98.18 O +ATOM 582 CG TYR B 37 9.256 -11.548 -22.160 1.00 98.18 C +ATOM 583 CD1 TYR B 37 10.608 -11.177 -22.294 1.00 98.18 C +ATOM 584 HD1 TYR B 37 10.913 -10.479 -23.059 1.00 98.18 H +ATOM 585 CD2 TYR B 37 8.884 -12.520 -21.211 1.00 98.18 C +ATOM 586 HD2 TYR B 37 7.852 -12.824 -21.116 1.00 98.18 H +ATOM 587 CE1 TYR B 37 11.578 -11.733 -21.439 1.00 98.18 C +ATOM 588 HE1 TYR B 37 12.621 -11.461 -21.516 1.00 98.18 H +ATOM 589 CE2 TYR B 37 9.852 -13.089 -20.370 1.00 98.18 C +ATOM 590 HE2 TYR B 37 9.556 -13.834 -19.647 1.00 98.18 H +ATOM 591 OH TYR B 37 12.122 -13.208 -19.633 1.00 98.18 O +ATOM 592 HH TYR B 37 11.749 -13.818 -18.993 1.00 98.18 H +ATOM 593 CZ TYR B 37 11.197 -12.679 -20.468 1.00 98.18 C +ATOM 594 N LYS B 38 6.686 -8.332 -24.197 1.00 98.18 N +ATOM 595 H LYS B 38 7.618 -7.958 -24.092 1.00 98.18 H +ATOM 596 CA LYS B 38 5.921 -7.921 -25.374 1.00 98.18 C +ATOM 597 HA LYS B 38 5.075 -8.594 -25.511 1.00 98.18 H +ATOM 598 C LYS B 38 6.830 -8.024 -26.585 1.00 98.18 C +ATOM 599 CB LYS B 38 5.385 -6.503 -25.168 1.00 98.18 C +ATOM 600 HB2 LYS B 38 6.224 -5.809 -25.100 1.00 98.18 H +ATOM 601 HB3 LYS B 38 4.826 -6.467 -24.233 1.00 98.18 H +ATOM 602 O LYS B 38 7.893 -7.408 -26.596 1.00 98.18 O +ATOM 603 CG LYS B 38 4.457 -6.086 -26.314 1.00 98.18 C +ATOM 604 HG2 LYS B 38 4.968 -6.192 -27.271 1.00 98.18 H +ATOM 605 HG3 LYS B 38 3.573 -6.722 -26.308 1.00 98.18 H +ATOM 606 CD LYS B 38 4.046 -4.625 -26.134 1.00 98.18 C +ATOM 607 HD2 LYS B 38 4.936 -3.998 -26.189 1.00 98.18 H +ATOM 608 HD3 LYS B 38 3.585 -4.498 -25.154 1.00 98.18 H +ATOM 609 CE LYS B 38 3.058 -4.230 -27.231 1.00 98.18 C +ATOM 610 HE2 LYS B 38 3.513 -4.441 -28.199 1.00 98.18 H +ATOM 611 HE3 LYS B 38 2.170 -4.855 -27.137 1.00 98.18 H +ATOM 612 NZ LYS B 38 2.705 -2.793 -27.127 1.00 98.18 N +ATOM 613 HZ1 LYS B 38 2.312 -2.596 -26.218 1.00 98.18 H +ATOM 614 HZ2 LYS B 38 3.536 -2.229 -27.234 1.00 98.18 H +ATOM 615 HZ3 LYS B 38 2.044 -2.535 -27.846 1.00 98.18 H +ATOM 616 N ASN B 39 6.432 -8.805 -27.586 1.00 96.97 N +ATOM 617 H ASN B 39 5.526 -9.247 -27.514 1.00 96.97 H +ATOM 618 CA ASN B 39 7.251 -9.123 -28.759 1.00 96.97 C +ATOM 619 HA ASN B 39 6.802 -9.983 -29.256 1.00 96.97 H +ATOM 620 C ASN B 39 8.674 -9.555 -28.357 1.00 96.97 C +ATOM 621 CB ASN B 39 7.221 -7.942 -29.742 1.00 96.97 C +ATOM 622 HB2 ASN B 39 7.811 -8.197 -30.623 1.00 96.97 H +ATOM 623 HB3 ASN B 39 7.685 -7.074 -29.272 1.00 96.97 H +ATOM 624 O ASN B 39 9.660 -9.043 -28.879 1.00 96.97 O +ATOM 625 CG ASN B 39 5.827 -7.580 -30.210 1.00 96.97 C +ATOM 626 ND2 ASN B 39 5.607 -6.336 -30.566 1.00 96.97 N +ATOM 627 HD21 ASN B 39 6.388 -5.696 -30.614 1.00 96.97 H +ATOM 628 HD22 ASN B 39 4.716 -6.173 -31.013 1.00 96.97 H +ATOM 629 OD1 ASN B 39 4.916 -8.384 -30.282 1.00 96.97 O +ATOM 630 N TYR B 40 8.759 -10.450 -27.367 1.00 96.99 N +ATOM 631 H TYR B 40 7.894 -10.851 -27.034 1.00 96.99 H +ATOM 632 CA TYR B 40 10.000 -10.996 -26.802 1.00 96.99 C +ATOM 633 HA TYR B 40 9.676 -11.678 -26.016 1.00 96.99 H +ATOM 634 C TYR B 40 10.932 -9.996 -26.097 1.00 96.99 C +ATOM 635 CB TYR B 40 10.729 -11.857 -27.846 1.00 96.99 C +ATOM 636 HB2 TYR B 40 11.521 -12.421 -27.354 1.00 96.99 H +ATOM 637 HB3 TYR B 40 11.209 -11.209 -28.579 1.00 96.99 H +ATOM 638 O TYR B 40 12.021 -10.367 -25.673 1.00 96.99 O +ATOM 639 CG TYR B 40 9.814 -12.830 -28.562 1.00 96.99 C +ATOM 640 CD1 TYR B 40 9.408 -14.015 -27.917 1.00 96.99 C +ATOM 641 HD1 TYR B 40 9.769 -14.242 -26.924 1.00 96.99 H +ATOM 642 CD2 TYR B 40 9.344 -12.537 -29.857 1.00 96.99 C +ATOM 643 HD2 TYR B 40 9.664 -11.635 -30.357 1.00 96.99 H +ATOM 644 CE1 TYR B 40 8.554 -14.921 -28.572 1.00 96.99 C +ATOM 645 HE1 TYR B 40 8.251 -15.843 -28.097 1.00 96.99 H +ATOM 646 CE2 TYR B 40 8.470 -13.432 -30.505 1.00 96.99 C +ATOM 647 HE2 TYR B 40 8.125 -13.240 -31.510 1.00 96.99 H +ATOM 648 OH TYR B 40 7.272 -15.507 -30.519 1.00 96.99 O +ATOM 649 HH TYR B 40 7.219 -16.357 -30.077 1.00 96.99 H +ATOM 650 CZ TYR B 40 8.083 -14.632 -29.870 1.00 96.99 C +ATOM 651 N VAL B 41 10.500 -8.750 -25.887 1.00 97.34 N +ATOM 652 H VAL B 41 9.628 -8.462 -26.308 1.00 97.34 H +ATOM 653 CA VAL B 41 11.231 -7.758 -25.089 1.00 97.34 C +ATOM 654 HA VAL B 41 12.265 -8.086 -24.971 1.00 97.34 H +ATOM 655 C VAL B 41 10.603 -7.660 -23.707 1.00 97.34 C +ATOM 656 CB VAL B 41 11.270 -6.391 -25.790 1.00 97.34 C +ATOM 657 HB VAL B 41 10.256 -6.017 -25.919 1.00 97.34 H +ATOM 658 O VAL B 41 9.405 -7.373 -23.583 1.00 97.34 O +ATOM 659 CG1 VAL B 41 12.066 -5.367 -24.968 1.00 97.34 C +ATOM 660 HG11 VAL B 41 13.084 -5.722 -24.807 1.00 97.34 H +ATOM 661 HG12 VAL B 41 12.104 -4.418 -25.502 1.00 97.34 H +ATOM 662 HG13 VAL B 41 11.590 -5.192 -24.004 1.00 97.34 H +ATOM 663 CG2 VAL B 41 11.934 -6.502 -27.169 1.00 97.34 C +ATOM 664 HG21 VAL B 41 11.999 -5.518 -27.633 1.00 97.34 H +ATOM 665 HG22 VAL B 41 11.341 -7.147 -27.820 1.00 97.34 H +ATOM 666 HG23 VAL B 41 12.934 -6.923 -27.073 1.00 97.34 H +ATOM 667 N ARG B 42 11.411 -7.882 -22.666 1.00 97.89 N +ATOM 668 H ARG B 42 12.374 -8.126 -22.848 1.00 97.89 H +ATOM 669 CA ARG B 42 10.971 -7.812 -21.270 1.00 97.89 C +ATOM 670 HA ARG B 42 10.200 -8.565 -21.107 1.00 97.89 H +ATOM 671 C ARG B 42 10.371 -6.438 -20.973 1.00 97.89 C +ATOM 672 CB ARG B 42 12.151 -8.142 -20.344 1.00 97.89 C +ATOM 673 HB2 ARG B 42 12.951 -7.418 -20.502 1.00 97.89 H +ATOM 674 HB3 ARG B 42 12.530 -9.132 -20.598 1.00 97.89 H +ATOM 675 O ARG B 42 11.005 -5.415 -21.213 1.00 97.89 O +ATOM 676 CG ARG B 42 11.743 -8.130 -18.865 1.00 97.89 C +ATOM 677 HG2 ARG B 42 11.499 -7.113 -18.558 1.00 97.89 H +ATOM 678 HG3 ARG B 42 10.875 -8.771 -18.711 1.00 97.89 H +ATOM 679 CD ARG B 42 12.906 -8.645 -18.020 1.00 97.89 C +ATOM 680 HD2 ARG B 42 13.054 -9.699 -18.256 1.00 97.89 H +ATOM 681 HD3 ARG B 42 13.812 -8.104 -18.292 1.00 97.89 H +ATOM 682 NE ARG B 42 12.653 -8.489 -16.578 1.00 97.89 N +ATOM 683 HE ARG B 42 11.738 -8.169 -16.296 1.00 97.89 H +ATOM 684 NH1 ARG B 42 14.695 -9.289 -15.910 1.00 97.89 N +ATOM 685 HH11 ARG B 42 15.217 -9.714 -15.158 1.00 97.89 H +ATOM 686 HH12 ARG B 42 14.871 -9.627 -16.846 1.00 97.89 H +ATOM 687 NH2 ARG B 42 13.264 -8.660 -14.375 1.00 97.89 N +ATOM 688 HH21 ARG B 42 13.923 -9.046 -13.715 1.00 97.89 H +ATOM 689 HH22 ARG B 42 12.351 -8.339 -14.087 1.00 97.89 H +ATOM 690 CZ ARG B 42 13.526 -8.803 -15.639 1.00 97.89 C +ATOM 691 N GLN B 43 9.140 -6.437 -20.472 1.00 97.84 N +ATOM 692 H GLN B 43 8.711 -7.335 -20.298 1.00 97.84 H +ATOM 693 CA GLN B 43 8.424 -5.246 -20.017 1.00 97.84 C +ATOM 694 HA GLN B 43 8.859 -4.353 -20.466 1.00 97.84 H +ATOM 695 C GLN B 43 8.552 -5.091 -18.505 1.00 97.84 C +ATOM 696 CB GLN B 43 6.939 -5.330 -20.413 1.00 97.84 C +ATOM 697 HB2 GLN B 43 6.490 -6.207 -19.948 1.00 97.84 H +ATOM 698 HB3 GLN B 43 6.427 -4.447 -20.029 1.00 97.84 H +ATOM 699 O GLN B 43 8.842 -3.999 -18.032 1.00 97.84 O +ATOM 700 CG GLN B 43 6.707 -5.409 -21.925 1.00 97.84 C +ATOM 701 HG2 GLN B 43 5.635 -5.433 -22.119 1.00 97.84 H +ATOM 702 HG3 GLN B 43 7.137 -6.335 -22.308 1.00 97.84 H +ATOM 703 CD GLN B 43 7.290 -4.220 -22.677 1.00 97.84 C +ATOM 704 NE2 GLN B 43 8.318 -4.426 -23.469 1.00 97.84 N +ATOM 705 HE21 GLN B 43 8.752 -5.337 -23.501 1.00 97.84 H +ATOM 706 HE22 GLN B 43 8.763 -3.605 -23.852 1.00 97.84 H +ATOM 707 OE1 GLN B 43 6.812 -3.101 -22.590 1.00 97.84 O +ATOM 708 N ASP B 44 8.364 -6.185 -17.763 1.00 97.71 N +ATOM 709 H ASP B 44 8.162 -7.068 -18.208 1.00 97.71 H +ATOM 710 CA ASP B 44 8.461 -6.182 -16.305 1.00 97.71 C +ATOM 711 HA ASP B 44 9.313 -5.562 -16.028 1.00 97.71 H +ATOM 712 C ASP B 44 8.699 -7.596 -15.750 1.00 97.71 C +ATOM 713 CB ASP B 44 7.184 -5.560 -15.701 1.00 97.71 C +ATOM 714 HB2 ASP B 44 6.801 -4.787 -16.368 1.00 97.71 H +ATOM 715 HB3 ASP B 44 6.413 -6.324 -15.610 1.00 97.71 H +ATOM 716 O ASP B 44 8.716 -8.581 -16.496 1.00 97.71 O +ATOM 717 CG ASP B 44 7.431 -4.903 -14.337 1.00 97.71 C +ATOM 718 OD1 ASP B 44 8.569 -5.027 -13.822 1.00 97.71 O +ATOM 719 OD2 ASP B 44 6.476 -4.280 -13.831 1.00 97.71 O +ATOM 720 N ALA B 45 8.910 -7.700 -14.443 1.00 98.38 N +ATOM 721 H ALA B 45 8.854 -6.853 -13.895 1.00 98.38 H +ATOM 722 CA ALA B 45 8.927 -8.954 -13.709 1.00 98.38 C +ATOM 723 HA ALA B 45 8.233 -9.650 -14.180 1.00 98.38 H +ATOM 724 C ALA B 45 8.490 -8.744 -12.256 1.00 98.38 C +ATOM 725 CB ALA B 45 10.338 -9.540 -13.764 1.00 98.38 C +ATOM 726 HB1 ALA B 45 10.326 -10.565 -13.393 1.00 98.38 H +ATOM 727 HB2 ALA B 45 10.685 -9.565 -14.796 1.00 98.38 H +ATOM 728 HB3 ALA B 45 10.991 -8.942 -13.127 1.00 98.38 H +ATOM 729 O ALA B 45 8.690 -7.673 -11.688 1.00 98.38 O +ATOM 730 N GLY B 46 8.005 -9.799 -11.615 1.00 98.14 N +ATOM 731 H GLY B 46 7.908 -10.671 -12.115 1.00 98.14 H +ATOM 732 CA GLY B 46 7.596 -9.750 -10.217 1.00 98.14 C +ATOM 733 HA2 GLY B 46 8.290 -9.137 -9.641 1.00 98.14 H +ATOM 734 HA3 GLY B 46 6.612 -9.288 -10.142 1.00 98.14 H +ATOM 735 C GLY B 46 7.551 -11.129 -9.587 1.00 98.14 C +ATOM 736 O GLY B 46 8.180 -12.071 -10.074 1.00 98.14 O +ATOM 737 N VAL B 47 6.822 -11.223 -8.480 1.00 98.34 N +ATOM 738 H VAL B 47 6.288 -10.423 -8.170 1.00 98.34 H +ATOM 739 CA VAL B 47 6.698 -12.451 -7.698 1.00 98.34 C +ATOM 740 HA VAL B 47 7.215 -13.246 -8.235 1.00 98.34 H +ATOM 741 C VAL B 47 5.239 -12.889 -7.587 1.00 98.34 C +ATOM 742 CB VAL B 47 7.393 -12.322 -6.330 1.00 98.34 C +ATOM 743 HB VAL B 47 7.393 -13.310 -5.871 1.00 98.34 H +ATOM 744 O VAL B 47 4.336 -12.052 -7.612 1.00 98.34 O +ATOM 745 CG1 VAL B 47 8.856 -11.890 -6.475 1.00 98.34 C +ATOM 746 HG11 VAL B 47 9.333 -12.457 -7.275 1.00 98.34 H +ATOM 747 HG12 VAL B 47 9.385 -12.062 -5.538 1.00 98.34 H +ATOM 748 HG13 VAL B 47 8.910 -10.833 -6.737 1.00 98.34 H +ATOM 749 CG2 VAL B 47 6.719 -11.312 -5.392 1.00 98.34 C +ATOM 750 HG21 VAL B 47 7.251 -11.280 -4.441 1.00 98.34 H +ATOM 751 HG22 VAL B 47 5.690 -11.614 -5.194 1.00 98.34 H +ATOM 752 HG23 VAL B 47 6.716 -10.315 -5.834 1.00 98.34 H +ATOM 753 N CYS B 48 5.009 -14.197 -7.503 1.00 98.35 N +ATOM 754 H CYS B 48 5.798 -14.826 -7.526 1.00 98.35 H +ATOM 755 CA CYS B 48 3.702 -14.803 -7.240 1.00 98.35 C +ATOM 756 HA CYS B 48 3.126 -14.118 -6.618 1.00 98.35 H +ATOM 757 C CYS B 48 3.858 -16.102 -6.429 1.00 98.35 C +ATOM 758 CB CYS B 48 2.925 -15.006 -8.558 1.00 98.35 C +ATOM 759 HB2 CYS B 48 1.943 -15.425 -8.342 1.00 98.35 H +ATOM 760 HB3 CYS B 48 2.775 -14.038 -9.034 1.00 98.35 H +ATOM 761 O CYS B 48 4.977 -16.569 -6.205 1.00 98.35 O +ATOM 762 SG CYS B 48 3.783 -16.112 -9.718 1.00 98.35 S +ATOM 763 HG CYS B 48 2.833 -17.046 -9.811 1.00 98.35 H +ATOM 764 N GLN B 49 2.743 -16.650 -5.951 1.00 98.17 N +ATOM 765 H GLN B 49 1.850 -16.266 -6.224 1.00 98.17 H +ATOM 766 CA GLN B 49 2.711 -17.934 -5.246 1.00 98.17 C +ATOM 767 HA GLN B 49 3.671 -18.107 -4.760 1.00 98.17 H +ATOM 768 C GLN B 49 2.489 -19.084 -6.235 1.00 98.17 C +ATOM 769 CB GLN B 49 1.630 -17.908 -4.153 1.00 98.17 C +ATOM 770 HB2 GLN B 49 0.682 -17.592 -4.589 1.00 98.17 H +ATOM 771 HB3 GLN B 49 1.505 -18.914 -3.752 1.00 98.17 H +ATOM 772 O GLN B 49 1.719 -18.935 -7.189 1.00 98.17 O +ATOM 773 CG GLN B 49 2.019 -16.967 -2.999 1.00 98.17 C +ATOM 774 HG2 GLN B 49 2.224 -15.970 -3.387 1.00 98.17 H +ATOM 775 HG3 GLN B 49 2.929 -17.345 -2.533 1.00 98.17 H +ATOM 776 CD GLN B 49 0.942 -16.833 -1.924 1.00 98.17 C +ATOM 777 NE2 GLN B 49 1.263 -16.262 -0.782 1.00 98.17 N +ATOM 778 HE21 GLN B 49 2.212 -15.982 -0.581 1.00 98.17 H +ATOM 779 HE22 GLN B 49 0.510 -16.212 -0.112 1.00 98.17 H +ATOM 780 OE1 GLN B 49 -0.213 -17.181 -2.082 1.00 98.17 O +ATOM 781 N SER B 50 3.165 -20.207 -6.002 1.00 98.06 N +ATOM 782 H SER B 50 3.831 -20.216 -5.243 1.00 98.06 H +ATOM 783 CA SER B 50 2.892 -21.488 -6.655 1.00 98.06 C +ATOM 784 HA SER B 50 2.872 -21.327 -7.732 1.00 98.06 H +ATOM 785 C SER B 50 1.525 -22.043 -6.244 1.00 98.06 C +ATOM 786 CB SER B 50 4.015 -22.491 -6.358 1.00 98.06 C +ATOM 787 HB2 SER B 50 3.847 -23.401 -6.933 1.00 98.06 H +ATOM 788 HB3 SER B 50 4.971 -22.067 -6.666 1.00 98.06 H +ATOM 789 O SER B 50 0.977 -21.655 -5.212 1.00 98.06 O +ATOM 790 OG SER B 50 4.099 -22.818 -4.989 1.00 98.06 O +ATOM 791 HG SER B 50 4.893 -22.397 -4.649 1.00 98.06 H +ATOM 792 N ASP B 51 0.960 -22.917 -7.081 1.00 98.00 N +ATOM 793 H ASP B 51 1.470 -23.170 -7.916 1.00 98.00 H +ATOM 794 CA ASP B 51 -0.372 -23.527 -6.891 1.00 98.00 C +ATOM 795 HA ASP B 51 -0.648 -23.946 -7.858 1.00 98.00 H +ATOM 796 C ASP B 51 -1.485 -22.504 -6.561 1.00 98.00 C +ATOM 797 CB ASP B 51 -0.279 -24.710 -5.909 1.00 98.00 C +ATOM 798 HB2 ASP B 51 -0.185 -24.331 -4.891 1.00 98.00 H +ATOM 799 HB3 ASP B 51 0.618 -25.286 -6.138 1.00 98.00 H +ATOM 800 O ASP B 51 -2.327 -22.688 -5.682 1.00 98.00 O +ATOM 801 CG ASP B 51 -1.480 -25.659 -6.008 1.00 98.00 C +ATOM 802 OD1 ASP B 51 -1.999 -25.827 -7.139 1.00 98.00 O +ATOM 803 OD2 ASP B 51 -1.819 -26.286 -4.977 1.00 98.00 O +ATOM 804 N TRP B 52 -1.456 -21.362 -7.256 1.00 97.95 N +ATOM 805 H TRP B 52 -0.782 -21.297 -8.005 1.00 97.95 H +ATOM 806 CA TRP B 52 -2.349 -20.231 -7.005 1.00 97.95 C +ATOM 807 HA TRP B 52 -3.282 -20.620 -6.598 1.00 97.95 H +ATOM 808 C TRP B 52 -2.699 -19.479 -8.293 1.00 97.95 C +ATOM 809 CB TRP B 52 -1.721 -19.302 -5.949 1.00 97.95 C +ATOM 810 HB2 TRP B 52 -0.922 -18.719 -6.407 1.00 97.95 H +ATOM 811 HB3 TRP B 52 -1.273 -19.913 -5.165 1.00 97.95 H +ATOM 812 O TRP B 52 -2.253 -19.813 -9.390 1.00 97.95 O +ATOM 813 CG TRP B 52 -2.707 -18.387 -5.284 1.00 97.95 C +ATOM 814 CD1 TRP B 52 -2.766 -17.043 -5.407 1.00 97.95 C +ATOM 815 HD1 TRP B 52 -2.086 -16.448 -5.998 1.00 97.95 H +ATOM 816 CD2 TRP B 52 -3.829 -18.758 -4.429 1.00 97.95 C +ATOM 817 CE2 TRP B 52 -4.551 -17.576 -4.088 1.00 97.95 C +ATOM 818 CE3 TRP B 52 -4.319 -19.981 -3.924 1.00 97.95 C +ATOM 819 HE3 TRP B 52 -3.790 -20.893 -4.159 1.00 97.95 H +ATOM 820 NE1 TRP B 52 -3.864 -16.562 -4.720 1.00 97.95 N +ATOM 821 HE1 TRP B 52 -4.141 -15.590 -4.739 1.00 97.95 H +ATOM 822 CH2 TRP B 52 -6.160 -18.837 -2.794 1.00 97.95 C +ATOM 823 HH2 TRP B 52 -7.041 -18.881 -2.172 1.00 97.95 H +ATOM 824 CZ2 TRP B 52 -5.702 -17.602 -3.286 1.00 97.95 C +ATOM 825 HZ2 TRP B 52 -6.223 -16.686 -3.051 1.00 97.95 H +ATOM 826 CZ3 TRP B 52 -5.469 -20.021 -3.114 1.00 97.95 C +ATOM 827 HZ3 TRP B 52 -5.818 -20.970 -2.737 1.00 97.95 H +ATOM 828 N SER B 53 -3.505 -18.426 -8.180 1.00 98.32 N +ATOM 829 H SER B 53 -3.822 -18.169 -7.256 1.00 98.32 H +ATOM 830 CA SER B 53 -3.803 -17.524 -9.291 1.00 98.32 C +ATOM 831 HA SER B 53 -3.022 -17.649 -10.042 1.00 98.32 H +ATOM 832 C SER B 53 -3.783 -16.062 -8.875 1.00 98.32 C +ATOM 833 CB SER B 53 -5.141 -17.870 -9.943 1.00 98.32 C +ATOM 834 HB2 SER B 53 -5.090 -18.884 -10.337 1.00 98.32 H +ATOM 835 HB3 SER B 53 -5.332 -17.183 -10.767 1.00 98.32 H +ATOM 836 O SER B 53 -4.125 -15.724 -7.744 1.00 98.32 O +ATOM 837 OG SER B 53 -6.200 -17.790 -9.008 1.00 98.32 O +ATOM 838 HG SER B 53 -5.982 -17.126 -8.350 1.00 98.32 H +ATOM 839 N PHE B 54 -3.430 -15.185 -9.807 1.00 98.53 N +ATOM 840 H PHE B 54 -3.182 -15.523 -10.726 1.00 98.53 H +ATOM 841 CA PHE B 54 -3.479 -13.742 -9.609 1.00 98.53 C +ATOM 842 HA PHE B 54 -4.187 -13.518 -8.811 1.00 98.53 H +ATOM 843 C PHE B 54 -3.988 -13.042 -10.868 1.00 98.53 C +ATOM 844 CB PHE B 54 -2.100 -13.220 -9.179 1.00 98.53 C +ATOM 845 HB2 PHE B 54 -1.794 -13.744 -8.273 1.00 98.53 H +ATOM 846 HB3 PHE B 54 -2.197 -12.166 -8.919 1.00 98.53 H +ATOM 847 O PHE B 54 -3.754 -13.504 -11.985 1.00 98.53 O +ATOM 848 CG PHE B 54 -1.001 -13.366 -10.218 1.00 98.53 C +ATOM 849 CD1 PHE B 54 -0.330 -14.595 -10.376 1.00 98.53 C +ATOM 850 HD1 PHE B 54 -0.601 -15.442 -9.765 1.00 98.53 H +ATOM 851 CD2 PHE B 54 -0.642 -12.269 -11.025 1.00 98.53 C +ATOM 852 HD2 PHE B 54 -1.155 -11.325 -10.913 1.00 98.53 H +ATOM 853 CE1 PHE B 54 0.692 -14.726 -11.332 1.00 98.53 C +ATOM 854 HE1 PHE B 54 1.201 -15.671 -11.451 1.00 98.53 H +ATOM 855 CE2 PHE B 54 0.389 -12.398 -11.974 1.00 98.53 C +ATOM 856 HE2 PHE B 54 0.680 -11.551 -12.578 1.00 98.53 H +ATOM 857 CZ PHE B 54 1.056 -13.626 -12.128 1.00 98.53 C +ATOM 858 HZ PHE B 54 1.853 -13.723 -12.850 1.00 98.53 H +ATOM 859 N ASP B 55 -4.659 -11.909 -10.683 1.00 98.26 N +ATOM 860 H ASP B 55 -4.840 -11.582 -9.745 1.00 98.26 H +ATOM 861 CA ASP B 55 -5.098 -11.067 -11.790 1.00 98.26 C +ATOM 862 HA ASP B 55 -5.218 -11.686 -12.680 1.00 98.26 H +ATOM 863 C ASP B 55 -4.044 -10.004 -12.092 1.00 98.26 C +ATOM 864 CB ASP B 55 -6.463 -10.437 -11.497 1.00 98.26 C +ATOM 865 HB2 ASP B 55 -6.696 -9.728 -12.290 1.00 98.26 H +ATOM 866 HB3 ASP B 55 -6.409 -9.886 -10.557 1.00 98.26 H +ATOM 867 O ASP B 55 -3.556 -9.307 -11.201 1.00 98.26 O +ATOM 868 CG ASP B 55 -7.594 -11.466 -11.430 1.00 98.26 C +ATOM 869 OD1 ASP B 55 -7.510 -12.491 -12.146 1.00 98.26 O +ATOM 870 OD2 ASP B 55 -8.557 -11.193 -10.684 1.00 98.26 O +ATOM 871 N MET B 56 -3.700 -9.856 -13.368 1.00 98.28 N +ATOM 872 H MET B 56 -4.118 -10.476 -14.046 1.00 98.28 H +ATOM 873 CA MET B 56 -2.732 -8.866 -13.825 1.00 98.28 C +ATOM 874 HA MET B 56 -2.623 -8.102 -13.055 1.00 98.28 H +ATOM 875 C MET B 56 -3.228 -8.177 -15.090 1.00 98.28 C +ATOM 876 CB MET B 56 -1.362 -9.534 -14.021 1.00 98.28 C +ATOM 877 HB2 MET B 56 -1.433 -10.280 -14.813 1.00 98.28 H +ATOM 878 HB3 MET B 56 -1.085 -10.034 -13.093 1.00 98.28 H +ATOM 879 O MET B 56 -3.850 -8.785 -15.961 1.00 98.28 O +ATOM 880 CG MET B 56 -0.272 -8.510 -14.365 1.00 98.28 C +ATOM 881 HG2 MET B 56 -0.471 -8.092 -15.352 1.00 98.28 H +ATOM 882 HG3 MET B 56 -0.318 -7.700 -13.637 1.00 98.28 H +ATOM 883 SD MET B 56 1.424 -9.137 -14.358 1.00 98.28 S +ATOM 884 CE MET B 56 1.314 -10.366 -15.667 1.00 98.28 C +ATOM 885 HE1 MET B 56 0.740 -11.224 -15.317 1.00 98.28 H +ATOM 886 HE2 MET B 56 2.326 -10.671 -15.933 1.00 98.28 H +ATOM 887 HE3 MET B 56 0.830 -9.925 -16.538 1.00 98.28 H +ATOM 888 N LYS B 57 -2.920 -6.885 -15.219 1.00 98.27 N +ATOM 889 H LYS B 57 -2.418 -6.433 -14.468 1.00 98.27 H +ATOM 890 CA LYS B 57 -3.154 -6.154 -16.461 1.00 98.27 C +ATOM 891 HA LYS B 57 -4.075 -6.531 -16.904 1.00 98.27 H +ATOM 892 C LYS B 57 -2.013 -6.422 -17.446 1.00 98.27 C +ATOM 893 CB LYS B 57 -3.362 -4.669 -16.154 1.00 98.27 C +ATOM 894 HB2 LYS B 57 -4.093 -4.575 -15.351 1.00 98.27 H +ATOM 895 HB3 LYS B 57 -2.424 -4.219 -15.830 1.00 98.27 H +ATOM 896 O LYS B 57 -0.883 -6.007 -17.211 1.00 98.27 O +ATOM 897 CG LYS B 57 -3.895 -3.946 -17.395 1.00 98.27 C +ATOM 898 HG2 LYS B 57 -4.810 -4.436 -17.729 1.00 98.27 H +ATOM 899 HG3 LYS B 57 -3.156 -3.997 -18.195 1.00 98.27 H +ATOM 900 CD LYS B 57 -4.202 -2.481 -17.084 1.00 98.27 C +ATOM 901 HD2 LYS B 57 -3.286 -1.978 -16.775 1.00 98.27 H +ATOM 902 HD3 LYS B 57 -4.937 -2.430 -16.280 1.00 98.27 H +ATOM 903 CE LYS B 57 -4.763 -1.828 -18.350 1.00 98.27 C +ATOM 904 HE2 LYS B 57 -4.023 -1.930 -19.144 1.00 98.27 H +ATOM 905 HE3 LYS B 57 -5.652 -2.379 -18.660 1.00 98.27 H +ATOM 906 NZ LYS B 57 -5.092 -0.401 -18.134 1.00 98.27 N +ATOM 907 HZ1 LYS B 57 -5.451 -0.002 -18.991 1.00 98.27 H +ATOM 908 HZ2 LYS B 57 -5.793 -0.307 -17.412 1.00 98.27 H +ATOM 909 HZ3 LYS B 57 -4.264 0.109 -17.861 1.00 98.27 H +ATOM 910 N ILE B 58 -2.323 -7.065 -18.568 1.00 97.85 N +ATOM 911 H ILE B 58 -3.284 -7.350 -18.690 1.00 97.85 H +ATOM 912 CA ILE B 58 -1.395 -7.304 -19.678 1.00 97.85 C +ATOM 913 HA ILE B 58 -0.407 -6.937 -19.400 1.00 97.85 H +ATOM 914 C ILE B 58 -1.867 -6.491 -20.885 1.00 97.85 C +ATOM 915 CB ILE B 58 -1.243 -8.813 -19.969 1.00 97.85 C +ATOM 916 HB ILE B 58 -2.216 -9.232 -20.227 1.00 97.85 H +ATOM 917 O ILE B 58 -2.943 -6.712 -21.442 1.00 97.85 O +ATOM 918 CG1 ILE B 58 -0.697 -9.541 -18.721 1.00 97.85 C +ATOM 919 HG12 ILE B 58 -1.429 -9.469 -17.918 1.00 97.85 H +ATOM 920 HG13 ILE B 58 0.215 -9.039 -18.395 1.00 97.85 H +ATOM 921 CG2 ILE B 58 -0.289 -9.004 -21.158 1.00 97.85 C +ATOM 922 HG21 ILE B 58 -0.686 -8.519 -22.051 1.00 97.85 H +ATOM 923 HG22 ILE B 58 -0.175 -10.062 -21.393 1.00 97.85 H +ATOM 924 HG23 ILE B 58 0.686 -8.584 -20.913 1.00 97.85 H +ATOM 925 CD1 ILE B 58 -0.382 -11.029 -18.931 1.00 97.85 C +ATOM 926 HD11 ILE B 58 -1.169 -11.499 -19.519 1.00 97.85 H +ATOM 927 HD12 ILE B 58 0.561 -11.147 -19.464 1.00 97.85 H +ATOM 928 HD13 ILE B 58 -0.299 -11.528 -17.965 1.00 97.85 H +ATOM 929 N GLY B 59 -1.078 -5.492 -21.284 1.00 95.76 N +ATOM 930 H GLY B 59 -0.209 -5.347 -20.791 1.00 95.76 H +ATOM 931 CA GLY B 59 -1.499 -4.520 -22.292 1.00 95.76 C +ATOM 932 HA2 GLY B 59 -0.703 -3.790 -22.438 1.00 95.76 H +ATOM 933 HA3 GLY B 59 -1.682 -5.039 -23.233 1.00 95.76 H +ATOM 934 C GLY B 59 -2.761 -3.760 -21.866 1.00 95.76 C +ATOM 935 O GLY B 59 -2.738 -2.998 -20.901 1.00 95.76 O +ATOM 936 N GLN B 60 -3.857 -3.939 -22.607 1.00 96.68 N +ATOM 937 H GLN B 60 -3.834 -4.641 -23.332 1.00 96.68 H +ATOM 938 CA GLN B 60 -5.145 -3.280 -22.334 1.00 96.68 C +ATOM 939 HA GLN B 60 -4.974 -2.428 -21.674 1.00 96.68 H +ATOM 940 C GLN B 60 -6.146 -4.169 -21.582 1.00 96.68 C +ATOM 941 CB GLN B 60 -5.750 -2.737 -23.643 1.00 96.68 C +ATOM 942 HB2 GLN B 60 -6.723 -2.294 -23.430 1.00 96.68 H +ATOM 943 HB3 GLN B 60 -5.906 -3.565 -24.334 1.00 96.68 H +ATOM 944 O GLN B 60 -7.229 -3.697 -21.245 1.00 96.68 O +ATOM 945 CG GLN B 60 -4.877 -1.672 -24.327 1.00 96.68 C +ATOM 946 HG2 GLN B 60 -5.379 -1.338 -25.236 1.00 96.68 H +ATOM 947 HG3 GLN B 60 -3.928 -2.120 -24.621 1.00 96.68 H +ATOM 948 CD GLN B 60 -4.604 -0.443 -23.457 1.00 96.68 C +ATOM 949 NE2 GLN B 60 -3.490 0.226 -23.650 1.00 96.68 N +ATOM 950 HE21 GLN B 60 -2.855 -0.023 -24.395 1.00 96.68 H +ATOM 951 HE22 GLN B 60 -3.371 1.051 -23.079 1.00 96.68 H +ATOM 952 OE1 GLN B 60 -5.362 -0.059 -22.582 1.00 96.68 O +ATOM 953 N TYR B 61 -5.799 -5.425 -21.294 1.00 97.70 N +ATOM 954 H TYR B 61 -4.856 -5.740 -21.471 1.00 97.70 H +ATOM 955 CA TYR B 61 -6.727 -6.416 -20.749 1.00 97.70 C +ATOM 956 HA TYR B 61 -7.722 -5.980 -20.666 1.00 97.70 H +ATOM 957 C TYR B 61 -6.302 -6.867 -19.353 1.00 97.70 C +ATOM 958 CB TYR B 61 -6.832 -7.604 -21.713 1.00 97.70 C +ATOM 959 HB2 TYR B 61 -5.858 -8.088 -21.783 1.00 97.70 H +ATOM 960 HB3 TYR B 61 -7.527 -8.334 -21.297 1.00 97.70 H +ATOM 961 O TYR B 61 -5.113 -7.022 -19.081 1.00 97.70 O +ATOM 962 CG TYR B 61 -7.305 -7.216 -23.103 1.00 97.70 C +ATOM 963 CD1 TYR B 61 -8.684 -7.115 -23.375 1.00 97.70 C +ATOM 964 HD1 TYR B 61 -9.402 -7.335 -22.599 1.00 97.70 H +ATOM 965 CD2 TYR B 61 -6.368 -6.926 -24.114 1.00 97.70 C +ATOM 966 HD2 TYR B 61 -5.312 -6.992 -23.899 1.00 97.70 H +ATOM 967 CE1 TYR B 61 -9.127 -6.740 -24.657 1.00 97.70 C +ATOM 968 HE1 TYR B 61 -10.185 -6.671 -24.862 1.00 97.70 H +ATOM 969 CE2 TYR B 61 -6.806 -6.556 -25.399 1.00 97.70 C +ATOM 970 HE2 TYR B 61 -6.099 -6.346 -26.189 1.00 97.70 H +ATOM 971 OH TYR B 61 -8.600 -6.105 -26.915 1.00 97.70 O +ATOM 972 HH TYR B 61 -9.557 -6.106 -26.985 1.00 97.70 H +ATOM 973 CZ TYR B 61 -8.186 -6.464 -25.673 1.00 97.70 C +ATOM 974 N TRP B 62 -7.282 -7.088 -18.482 1.00 98.02 N +ATOM 975 H TRP B 62 -8.238 -6.994 -18.797 1.00 98.02 H +ATOM 976 CA TRP B 62 -7.089 -7.824 -17.238 1.00 98.02 C +ATOM 977 HA TRP B 62 -6.089 -7.646 -16.842 1.00 98.02 H +ATOM 978 C TRP B 62 -7.220 -9.314 -17.521 1.00 98.02 C +ATOM 979 CB TRP B 62 -8.103 -7.363 -16.193 1.00 98.02 C +ATOM 980 HB2 TRP B 62 -9.101 -7.329 -16.630 1.00 98.02 H +ATOM 981 HB3 TRP B 62 -8.127 -8.097 -15.387 1.00 98.02 H +ATOM 982 O TRP B 62 -8.153 -9.726 -18.210 1.00 98.02 O +ATOM 983 CG TRP B 62 -7.767 -6.038 -15.589 1.00 98.02 C +ATOM 984 CD1 TRP B 62 -8.251 -4.834 -15.967 1.00 98.02 C +ATOM 985 HD1 TRP B 62 -8.975 -4.687 -16.754 1.00 98.02 H +ATOM 986 CD2 TRP B 62 -6.871 -5.785 -14.469 1.00 98.02 C +ATOM 987 CE2 TRP B 62 -6.860 -4.382 -14.213 1.00 98.02 C +ATOM 988 CE3 TRP B 62 -6.092 -6.606 -13.627 1.00 98.02 C +ATOM 989 HE3 TRP B 62 -6.101 -7.677 -13.770 1.00 98.02 H +ATOM 990 NE1 TRP B 62 -7.724 -3.851 -15.150 1.00 98.02 N +ATOM 991 HE1 TRP B 62 -8.059 -2.898 -15.145 1.00 98.02 H +ATOM 992 CH2 TRP B 62 -5.340 -4.663 -12.353 1.00 98.02 C +ATOM 993 HH2 TRP B 62 -4.771 -4.258 -11.528 1.00 98.02 H +ATOM 994 CZ2 TRP B 62 -6.107 -3.817 -13.174 1.00 98.02 C +ATOM 995 HZ2 TRP B 62 -6.139 -2.754 -12.982 1.00 98.02 H +ATOM 996 CZ3 TRP B 62 -5.334 -6.051 -12.580 1.00 98.02 C +ATOM 997 HZ3 TRP B 62 -4.769 -6.703 -11.929 1.00 98.02 H +ATOM 998 N VAL B 63 -6.272 -10.098 -17.018 1.00 97.52 N +ATOM 999 H VAL B 63 -5.522 -9.691 -16.476 1.00 97.52 H +ATOM 1000 CA VAL B 63 -6.227 -11.547 -17.209 1.00 97.52 C +ATOM 1001 HA VAL B 63 -7.213 -11.897 -17.514 1.00 97.52 H +ATOM 1002 C VAL B 63 -5.889 -12.238 -15.896 1.00 97.52 C +ATOM 1003 CB VAL B 63 -5.227 -11.950 -18.312 1.00 97.52 C +ATOM 1004 HB VAL B 63 -5.253 -13.034 -18.412 1.00 97.52 H +ATOM 1005 O VAL B 63 -5.059 -11.744 -15.132 1.00 97.52 O +ATOM 1006 CG1 VAL B 63 -5.607 -11.344 -19.670 1.00 97.52 C +ATOM 1007 HG11 VAL B 63 -6.638 -11.603 -19.908 1.00 97.52 H +ATOM 1008 HG12 VAL B 63 -4.963 -11.760 -20.444 1.00 97.52 H +ATOM 1009 HG13 VAL B 63 -5.499 -10.259 -19.654 1.00 97.52 H +ATOM 1010 CG2 VAL B 63 -3.781 -11.533 -18.022 1.00 97.52 C +ATOM 1011 HG21 VAL B 63 -3.154 -11.906 -18.832 1.00 97.52 H +ATOM 1012 HG22 VAL B 63 -3.699 -10.449 -17.964 1.00 97.52 H +ATOM 1013 HG23 VAL B 63 -3.434 -11.976 -17.089 1.00 97.52 H +ATOM 1014 N THR B 64 -6.504 -13.394 -15.666 1.00 98.46 N +ATOM 1015 H THR B 64 -7.232 -13.708 -16.291 1.00 98.46 H +ATOM 1016 CA THR B 64 -6.141 -14.291 -14.568 1.00 98.46 C +ATOM 1017 HA THR B 64 -5.805 -13.703 -13.714 1.00 98.46 H +ATOM 1018 C THR B 64 -5.003 -15.194 -15.024 1.00 98.46 C +ATOM 1019 CB THR B 64 -7.340 -15.127 -14.110 1.00 98.46 C +ATOM 1020 HB THR B 64 -7.631 -15.807 -14.911 1.00 98.46 H +ATOM 1021 O THR B 64 -5.109 -15.873 -16.049 1.00 98.46 O +ATOM 1022 CG2 THR B 64 -7.035 -15.946 -12.858 1.00 98.46 C +ATOM 1023 HG21 THR B 64 -7.943 -16.451 -12.526 1.00 98.46 H +ATOM 1024 HG22 THR B 64 -6.279 -16.700 -13.075 1.00 98.46 H +ATOM 1025 HG23 THR B 64 -6.683 -15.288 -12.063 1.00 98.46 H +ATOM 1026 OG1 THR B 64 -8.431 -14.280 -13.830 1.00 98.46 O +ATOM 1027 HG1 THR B 64 -8.143 -13.649 -13.166 1.00 98.46 H +ATOM 1028 N ILE B 65 -3.910 -15.192 -14.266 1.00 98.62 N +ATOM 1029 H ILE B 65 -3.896 -14.592 -13.452 1.00 98.62 H +ATOM 1030 CA ILE B 65 -2.767 -16.077 -14.462 1.00 98.62 C +ATOM 1031 HA ILE B 65 -2.845 -16.562 -15.435 1.00 98.62 H +ATOM 1032 C ILE B 65 -2.816 -17.160 -13.394 1.00 98.62 C +ATOM 1033 CB ILE B 65 -1.443 -15.287 -14.426 1.00 98.62 C +ATOM 1034 HB ILE B 65 -1.337 -14.844 -13.436 1.00 98.62 H +ATOM 1035 O ILE B 65 -2.758 -16.863 -12.201 1.00 98.62 O +ATOM 1036 CG1 ILE B 65 -1.407 -14.127 -15.450 1.00 98.62 C +ATOM 1037 HG12 ILE B 65 -2.160 -13.388 -15.174 1.00 98.62 H +ATOM 1038 HG13 ILE B 65 -0.438 -13.633 -15.379 1.00 98.62 H +ATOM 1039 CG2 ILE B 65 -0.253 -16.239 -14.649 1.00 98.62 C +ATOM 1040 HG21 ILE B 65 -0.374 -16.793 -15.580 1.00 98.62 H +ATOM 1041 HG22 ILE B 65 0.676 -15.671 -14.676 1.00 98.62 H +ATOM 1042 HG23 ILE B 65 -0.186 -16.950 -13.826 1.00 98.62 H +ATOM 1043 CD1 ILE B 65 -1.639 -14.533 -16.914 1.00 98.62 C +ATOM 1044 HD11 ILE B 65 -0.872 -15.234 -17.244 1.00 98.62 H +ATOM 1045 HD12 ILE B 65 -2.622 -14.990 -17.034 1.00 98.62 H +ATOM 1046 HD13 ILE B 65 -1.596 -13.644 -17.542 1.00 98.62 H +ATOM 1047 N HIS B 66 -2.896 -18.413 -13.828 1.00 98.67 N +ATOM 1048 H HIS B 66 -2.903 -18.569 -14.825 1.00 98.67 H +ATOM 1049 CA HIS B 66 -2.772 -19.583 -12.967 1.00 98.67 C +ATOM 1050 HA HIS B 66 -3.079 -19.324 -11.955 1.00 98.67 H +ATOM 1051 C HIS B 66 -1.309 -20.028 -12.928 1.00 98.67 C +ATOM 1052 CB HIS B 66 -3.689 -20.704 -13.463 1.00 98.67 C +ATOM 1053 HB2 HIS B 66 -3.572 -21.573 -12.816 1.00 98.67 H +ATOM 1054 HB3 HIS B 66 -3.390 -20.989 -14.472 1.00 98.67 H +ATOM 1055 O HIS B 66 -0.660 -20.153 -13.970 1.00 98.67 O +ATOM 1056 CG HIS B 66 -5.142 -20.319 -13.498 1.00 98.67 C +ATOM 1057 CD2 HIS B 66 -5.850 -19.912 -14.597 1.00 98.67 C +ATOM 1058 HD2 HIS B 66 -5.460 -19.809 -15.598 1.00 98.67 H +ATOM 1059 ND1 HIS B 66 -6.003 -20.293 -12.426 1.00 98.67 N +ATOM 1060 HD1 HIS B 66 -5.780 -20.544 -11.474 1.00 98.67 H +ATOM 1061 CE1 HIS B 66 -7.199 -19.871 -12.867 1.00 98.67 C +ATOM 1062 HE1 HIS B 66 -8.074 -19.737 -12.248 1.00 98.67 H +ATOM 1063 NE2 HIS B 66 -7.158 -19.636 -14.188 1.00 98.67 N +ATOM 1064 N THR B 67 -0.809 -20.271 -11.725 1.00 98.67 N +ATOM 1065 H THR B 67 -1.428 -20.217 -10.929 1.00 98.67 H +ATOM 1066 CA THR B 67 0.551 -20.724 -11.437 1.00 98.67 C +ATOM 1067 HA THR B 67 1.149 -20.743 -12.349 1.00 98.67 H +ATOM 1068 C THR B 67 0.458 -22.129 -10.865 1.00 98.67 C +ATOM 1069 CB THR B 67 1.225 -19.790 -10.418 1.00 98.67 C +ATOM 1070 HB THR B 67 0.749 -19.913 -9.445 1.00 98.67 H +ATOM 1071 O THR B 67 -0.218 -22.325 -9.862 1.00 98.67 O +ATOM 1072 CG2 THR B 67 2.717 -20.071 -10.283 1.00 98.67 C +ATOM 1073 HG21 THR B 67 3.224 -19.950 -11.241 1.00 98.67 H +ATOM 1074 HG22 THR B 67 3.144 -19.382 -9.554 1.00 98.67 H +ATOM 1075 HG23 THR B 67 2.863 -21.091 -9.927 1.00 98.67 H +ATOM 1076 OG1 THR B 67 1.082 -18.441 -10.815 1.00 98.67 O +ATOM 1077 HG1 THR B 67 0.145 -18.256 -10.729 1.00 98.67 H +ATOM 1078 N ASP B 68 1.112 -23.106 -11.487 1.00 98.12 N +ATOM 1079 H ASP B 68 1.659 -22.897 -12.309 1.00 98.12 H +ATOM 1080 CA ASP B 68 1.165 -24.460 -10.924 1.00 98.12 C +ATOM 1081 HA ASP B 68 0.211 -24.655 -10.432 1.00 98.12 H +ATOM 1082 C ASP B 68 2.236 -24.601 -9.823 1.00 98.12 C +ATOM 1083 CB ASP B 68 1.268 -25.502 -12.049 1.00 98.12 C +ATOM 1084 HB2 ASP B 68 1.018 -26.475 -11.629 1.00 98.12 H +ATOM 1085 HB3 ASP B 68 0.510 -25.277 -12.799 1.00 98.12 H +ATOM 1086 O ASP B 68 2.977 -23.660 -9.527 1.00 98.12 O +ATOM 1087 CG ASP B 68 2.623 -25.638 -12.748 1.00 98.12 C +ATOM 1088 OD1 ASP B 68 3.651 -25.075 -12.315 1.00 98.12 O +ATOM 1089 OD2 ASP B 68 2.666 -26.408 -13.737 1.00 98.12 O +ATOM 1090 N GLU B 69 2.338 -25.782 -9.207 1.00 97.69 N +ATOM 1091 H GLU B 69 1.644 -26.489 -9.402 1.00 97.69 H +ATOM 1092 CA GLU B 69 3.336 -26.096 -8.164 1.00 97.69 C +ATOM 1093 HA GLU B 69 3.143 -25.471 -7.292 1.00 97.69 H +ATOM 1094 C GLU B 69 4.796 -25.845 -8.602 1.00 97.69 C +ATOM 1095 CB GLU B 69 3.170 -27.569 -7.733 1.00 97.69 C +ATOM 1096 HB2 GLU B 69 3.838 -27.756 -6.892 1.00 97.69 H +ATOM 1097 HB3 GLU B 69 2.145 -27.723 -7.396 1.00 97.69 H +ATOM 1098 O GLU B 69 5.679 -25.586 -7.785 1.00 97.69 O +ATOM 1099 CG GLU B 69 3.489 -28.576 -8.860 1.00 97.69 C +ATOM 1100 HG2 GLU B 69 4.497 -28.388 -9.233 1.00 97.69 H +ATOM 1101 HG3 GLU B 69 2.799 -28.411 -9.688 1.00 97.69 H +ATOM 1102 CD GLU B 69 3.431 -30.055 -8.455 1.00 97.69 C +ATOM 1103 OE1 GLU B 69 3.824 -30.872 -9.325 1.00 97.69 O +ATOM 1104 OE2 GLU B 69 3.029 -30.370 -7.315 1.00 97.69 O +ATOM 1105 N GLY B 70 5.063 -25.915 -9.911 1.00 97.59 N +ATOM 1106 H GLY B 70 4.272 -25.972 -10.536 1.00 97.59 H +ATOM 1107 CA GLY B 70 6.380 -25.748 -10.516 1.00 97.59 C +ATOM 1108 HA2 GLY B 70 6.462 -26.427 -11.365 1.00 97.59 H +ATOM 1109 HA3 GLY B 70 7.151 -25.999 -9.788 1.00 97.59 H +ATOM 1110 C GLY B 70 6.638 -24.330 -11.016 1.00 97.59 C +ATOM 1111 O GLY B 70 7.591 -24.128 -11.774 1.00 97.59 O +ATOM 1112 N CYS B 71 5.792 -23.367 -10.641 1.00 97.98 N +ATOM 1113 H CYS B 71 5.009 -23.633 -10.062 1.00 97.98 H +ATOM 1114 CA CYS B 71 5.826 -21.987 -11.115 1.00 97.98 C +ATOM 1115 HA CYS B 71 4.971 -21.487 -10.659 1.00 97.98 H +ATOM 1116 C CYS B 71 5.643 -21.837 -12.632 1.00 97.98 C +ATOM 1117 CB CYS B 71 7.087 -21.284 -10.600 1.00 97.98 C +ATOM 1118 HB2 CYS B 71 7.961 -21.780 -11.021 1.00 97.98 H +ATOM 1119 HB3 CYS B 71 7.086 -20.254 -10.959 1.00 97.98 H +ATOM 1120 O CYS B 71 6.058 -20.827 -13.204 1.00 97.98 O +ATOM 1121 SG CYS B 71 7.260 -21.242 -8.805 1.00 97.98 S +ATOM 1122 N ARG B 72 5.034 -22.815 -13.317 1.00 98.07 N +ATOM 1123 H ARG B 72 4.649 -23.595 -12.803 1.00 98.07 H +ATOM 1124 CA ARG B 72 4.653 -22.653 -14.724 1.00 98.07 C +ATOM 1125 HA ARG B 72 5.428 -22.066 -15.217 1.00 98.07 H +ATOM 1126 C ARG B 72 3.350 -21.867 -14.779 1.00 98.07 C +ATOM 1127 CB ARG B 72 4.526 -23.994 -15.452 1.00 98.07 C +ATOM 1128 HB2 ARG B 72 4.230 -23.806 -16.485 1.00 98.07 H +ATOM 1129 HB3 ARG B 72 3.729 -24.571 -14.983 1.00 98.07 H +ATOM 1130 O ARG B 72 2.400 -22.159 -14.057 1.00 98.07 O +ATOM 1131 CG ARG B 72 5.840 -24.792 -15.452 1.00 98.07 C +ATOM 1132 HG2 ARG B 72 6.588 -24.237 -16.020 1.00 98.07 H +ATOM 1133 HG3 ARG B 72 6.203 -24.917 -14.433 1.00 98.07 H +ATOM 1134 CD ARG B 72 5.656 -26.178 -16.082 1.00 98.07 C +ATOM 1135 HD2 ARG B 72 6.639 -26.622 -16.245 1.00 98.07 H +ATOM 1136 HD3 ARG B 72 5.165 -26.069 -17.048 1.00 98.07 H +ATOM 1137 NE ARG B 72 4.839 -27.038 -15.213 1.00 98.07 N +ATOM 1138 HE ARG B 72 3.918 -26.697 -14.978 1.00 98.07 H +ATOM 1139 NH1 ARG B 72 6.434 -28.461 -14.352 1.00 98.07 N +ATOM 1140 HH11 ARG B 72 7.155 -27.932 -14.822 1.00 98.07 H +ATOM 1141 HH12 ARG B 72 6.652 -29.158 -13.654 1.00 98.07 H +ATOM 1142 NH2 ARG B 72 4.321 -28.563 -13.641 1.00 98.07 N +ATOM 1143 HH21 ARG B 72 3.466 -28.032 -13.561 1.00 98.07 H +ATOM 1144 HH22 ARG B 72 4.547 -29.216 -12.904 1.00 98.07 H +ATOM 1145 CZ ARG B 72 5.209 -28.021 -14.417 1.00 98.07 C +ATOM 1146 N LEU B 73 3.334 -20.859 -15.643 1.00 98.20 N +ATOM 1147 H LEU B 73 4.151 -20.692 -16.212 1.00 98.20 H +ATOM 1148 CA LEU B 73 2.217 -19.936 -15.781 1.00 98.20 C +ATOM 1149 HA LEU B 73 1.621 -19.965 -14.871 1.00 98.20 H +ATOM 1150 C LEU B 73 1.309 -20.368 -16.926 1.00 98.20 C +ATOM 1151 CB LEU B 73 2.737 -18.501 -15.958 1.00 98.20 C +ATOM 1152 HB2 LEU B 73 3.259 -18.434 -16.913 1.00 98.20 H +ATOM 1153 HB3 LEU B 73 1.887 -17.819 -15.992 1.00 98.20 H +ATOM 1154 O LEU B 73 1.775 -20.875 -17.944 1.00 98.20 O +ATOM 1155 CG LEU B 73 3.692 -18.058 -14.837 1.00 98.20 C +ATOM 1156 HG LEU B 73 4.554 -18.726 -14.824 1.00 98.20 H +ATOM 1157 CD1 LEU B 73 4.205 -16.653 -15.111 1.00 98.20 C +ATOM 1158 HD11 LEU B 73 4.573 -16.598 -16.135 1.00 98.20 H +ATOM 1159 HD12 LEU B 73 3.400 -15.932 -14.960 1.00 98.20 H +ATOM 1160 HD13 LEU B 73 5.021 -16.435 -14.423 1.00 98.20 H +ATOM 1161 CD2 LEU B 73 3.047 -18.062 -13.455 1.00 98.20 C +ATOM 1162 HD21 LEU B 73 2.710 -19.069 -13.206 1.00 98.20 H +ATOM 1163 HD22 LEU B 73 3.772 -17.752 -12.703 1.00 98.20 H +ATOM 1164 HD23 LEU B 73 2.191 -17.389 -13.426 1.00 98.20 H +ATOM 1165 N SER B 74 0.014 -20.146 -16.748 1.00 97.00 N +ATOM 1166 H SER B 74 -0.291 -19.777 -15.858 1.00 97.00 H +ATOM 1167 CA SER B 74 -1.005 -20.390 -17.761 1.00 97.00 C +ATOM 1168 HA SER B 74 -0.546 -20.306 -18.745 1.00 97.00 H +ATOM 1169 C SER B 74 -2.111 -19.341 -17.673 1.00 97.00 C +ATOM 1170 CB SER B 74 -1.558 -21.812 -17.624 1.00 97.00 C +ATOM 1171 HB2 SER B 74 -2.302 -21.989 -18.400 1.00 97.00 H +ATOM 1172 HB3 SER B 74 -0.742 -22.522 -17.756 1.00 97.00 H +ATOM 1173 O SER B 74 -2.407 -18.810 -16.604 1.00 97.00 O +ATOM 1174 OG SER B 74 -2.148 -22.020 -16.361 1.00 97.00 O +ATOM 1175 HG SER B 74 -1.529 -21.743 -15.681 1.00 97.00 H +ATOM 1176 N GLY B 75 -2.707 -19.013 -18.815 1.00 95.70 N +ATOM 1177 H GLY B 75 -2.346 -19.396 -19.678 1.00 95.70 H +ATOM 1178 CA GLY B 75 -3.768 -18.018 -18.927 1.00 95.70 C +ATOM 1179 HA2 GLY B 75 -4.702 -18.445 -18.562 1.00 95.70 H +ATOM 1180 HA3 GLY B 75 -3.532 -17.144 -18.320 1.00 95.70 H +ATOM 1181 C GLY B 75 -3.944 -17.575 -20.376 1.00 95.70 C +ATOM 1182 O GLY B 75 -3.033 -17.708 -21.192 1.00 95.70 O +ATOM 1183 N ILE B 76 -5.121 -17.051 -20.713 1.00 96.62 N +ATOM 1184 H ILE B 76 -5.819 -16.923 -19.994 1.00 96.62 H +ATOM 1185 CA ILE B 76 -5.367 -16.478 -22.041 1.00 96.62 C +ATOM 1186 HA ILE B 76 -4.786 -17.031 -22.780 1.00 96.62 H +ATOM 1187 C ILE B 76 -4.859 -15.039 -22.023 1.00 96.62 C +ATOM 1188 CB ILE B 76 -6.850 -16.592 -22.454 1.00 96.62 C +ATOM 1189 HB ILE B 76 -7.461 -16.067 -21.720 1.00 96.62 H +ATOM 1190 O ILE B 76 -5.517 -14.147 -21.493 1.00 96.62 O +ATOM 1191 CG1 ILE B 76 -7.280 -18.078 -22.489 1.00 96.62 C +ATOM 1192 HG12 ILE B 76 -7.060 -18.542 -21.527 1.00 96.62 H +ATOM 1193 HG13 ILE B 76 -6.709 -18.605 -23.252 1.00 96.62 H +ATOM 1194 CG2 ILE B 76 -7.062 -15.936 -23.835 1.00 96.62 C +ATOM 1195 HG21 ILE B 76 -6.774 -14.885 -23.808 1.00 96.62 H +ATOM 1196 HG22 ILE B 76 -6.469 -16.450 -24.591 1.00 96.62 H +ATOM 1197 HG23 ILE B 76 -8.115 -15.972 -24.114 1.00 96.62 H +ATOM 1198 CD1 ILE B 76 -8.776 -18.290 -22.749 1.00 96.62 C +ATOM 1199 HD11 ILE B 76 -9.037 -17.995 -23.765 1.00 96.62 H +ATOM 1200 HD12 ILE B 76 -9.363 -17.714 -22.036 1.00 96.62 H +ATOM 1201 HD13 ILE B 76 -9.013 -19.348 -22.628 1.00 96.62 H +ATOM 1202 N ILE B 77 -3.674 -14.824 -22.590 1.00 96.23 N +ATOM 1203 H ILE B 77 -3.169 -15.617 -22.957 1.00 96.23 H +ATOM 1204 CA ILE B 77 -3.024 -13.511 -22.640 1.00 96.23 C +ATOM 1205 HA ILE B 77 -3.544 -12.873 -21.925 1.00 96.23 H +ATOM 1206 C ILE B 77 -3.173 -12.861 -24.027 1.00 96.23 C +ATOM 1207 CB ILE B 77 -1.563 -13.591 -22.150 1.00 96.23 C +ATOM 1208 HB ILE B 77 -1.160 -12.578 -22.137 1.00 96.23 H +ATOM 1209 O ILE B 77 -3.306 -13.568 -25.030 1.00 96.23 O +ATOM 1210 CG1 ILE B 77 -0.688 -14.441 -23.094 1.00 96.23 C +ATOM 1211 HG12 ILE B 77 -1.097 -15.448 -23.175 1.00 96.23 H +ATOM 1212 HG13 ILE B 77 -0.693 -13.991 -24.087 1.00 96.23 H +ATOM 1213 CG2 ILE B 77 -1.534 -14.119 -20.703 1.00 96.23 C +ATOM 1214 HG21 ILE B 77 -0.557 -13.942 -20.253 1.00 96.23 H +ATOM 1215 HG22 ILE B 77 -1.731 -15.192 -20.689 1.00 96.23 H +ATOM 1216 HG23 ILE B 77 -2.290 -13.621 -20.098 1.00 96.23 H +ATOM 1217 CD1 ILE B 77 0.768 -14.550 -22.641 1.00 96.23 C +ATOM 1218 HD11 ILE B 77 1.188 -13.556 -22.483 1.00 96.23 H +ATOM 1219 HD12 ILE B 77 1.335 -15.070 -23.414 1.00 96.23 H +ATOM 1220 HD13 ILE B 77 0.838 -15.131 -21.721 1.00 96.23 H +ATOM 1221 N PRO B 78 -3.163 -11.518 -24.127 1.00 97.19 N +ATOM 1222 CA PRO B 78 -3.308 -10.832 -25.409 1.00 97.19 C +ATOM 1223 HA PRO B 78 -4.262 -11.130 -25.842 1.00 97.19 H +ATOM 1224 C PRO B 78 -2.183 -11.161 -26.394 1.00 97.19 C +ATOM 1225 CB PRO B 78 -3.352 -9.336 -25.087 1.00 97.19 C +ATOM 1226 HB2 PRO B 78 -2.354 -8.903 -25.154 1.00 97.19 H +ATOM 1227 HB3 PRO B 78 -4.046 -8.803 -25.737 1.00 97.19 H +ATOM 1228 O PRO B 78 -1.036 -11.379 -26.008 1.00 97.19 O +ATOM 1229 CG PRO B 78 -3.809 -9.309 -23.633 1.00 97.19 C +ATOM 1230 HG2 PRO B 78 -4.893 -9.416 -23.589 1.00 97.19 H +ATOM 1231 HG3 PRO B 78 -3.480 -8.402 -23.128 1.00 97.19 H +ATOM 1232 CD PRO B 78 -3.161 -10.551 -23.042 1.00 97.19 C +ATOM 1233 HD2 PRO B 78 -3.741 -10.878 -22.178 1.00 97.19 H +ATOM 1234 HD3 PRO B 78 -2.132 -10.336 -22.752 1.00 97.19 H +ATOM 1235 N ALA B 79 -2.494 -11.114 -27.690 1.00 96.69 N +ATOM 1236 H ALA B 79 -3.453 -10.939 -27.954 1.00 96.69 H +ATOM 1237 CA ALA B 79 -1.526 -11.394 -28.748 1.00 96.69 C +ATOM 1238 HA ALA B 79 -1.211 -12.432 -28.638 1.00 96.69 H +ATOM 1239 C ALA B 79 -0.270 -10.505 -28.654 1.00 96.69 C +ATOM 1240 CB ALA B 79 -2.218 -11.247 -30.107 1.00 96.69 C +ATOM 1241 HB1 ALA B 79 -2.552 -10.218 -30.246 1.00 96.69 H +ATOM 1242 HB2 ALA B 79 -3.076 -11.918 -30.161 1.00 96.69 H +ATOM 1243 HB3 ALA B 79 -1.520 -11.505 -30.903 1.00 96.69 H +ATOM 1244 O ALA B 79 -0.346 -9.310 -28.352 1.00 96.69 O +ATOM 1245 N GLY B 80 0.891 -11.104 -28.932 1.00 96.62 N +ATOM 1246 H GLY B 80 0.881 -12.092 -29.139 1.00 96.62 H +ATOM 1247 CA GLY B 80 2.199 -10.448 -28.831 1.00 96.62 C +ATOM 1248 HA2 GLY B 80 2.924 -11.018 -29.410 1.00 96.62 H +ATOM 1249 HA3 GLY B 80 2.136 -9.446 -29.255 1.00 96.62 H +ATOM 1250 C GLY B 80 2.735 -10.324 -27.402 1.00 96.62 C +ATOM 1251 O GLY B 80 3.865 -9.871 -27.230 1.00 96.62 O +ATOM 1252 N TRP B 81 1.969 -10.727 -26.385 1.00 97.86 N +ATOM 1253 H TRP B 81 1.052 -11.107 -26.568 1.00 97.86 H +ATOM 1254 CA TRP B 81 2.454 -10.834 -25.013 1.00 97.86 C +ATOM 1255 HA TRP B 81 3.357 -10.232 -24.909 1.00 97.86 H +ATOM 1256 C TRP B 81 2.836 -12.267 -24.674 1.00 97.86 C +ATOM 1257 CB TRP B 81 1.438 -10.274 -24.022 1.00 97.86 C +ATOM 1258 HB2 TRP B 81 0.492 -10.807 -24.117 1.00 97.86 H +ATOM 1259 HB3 TRP B 81 1.805 -10.455 -23.012 1.00 97.86 H +ATOM 1260 O TRP B 81 2.315 -13.223 -25.242 1.00 97.86 O +ATOM 1261 CG TRP B 81 1.208 -8.807 -24.167 1.00 97.86 C +ATOM 1262 CD1 TRP B 81 0.395 -8.221 -25.070 1.00 97.86 C +ATOM 1263 HD1 TRP B 81 -0.179 -8.764 -25.805 1.00 97.86 H +ATOM 1264 CD2 TRP B 81 1.816 -7.725 -23.406 1.00 97.86 C +ATOM 1265 CE2 TRP B 81 1.277 -6.490 -23.874 1.00 97.86 C +ATOM 1266 CE3 TRP B 81 2.756 -7.668 -22.358 1.00 97.86 C +ATOM 1267 HE3 TRP B 81 3.196 -8.586 -21.999 1.00 97.86 H +ATOM 1268 NE1 TRP B 81 0.417 -6.852 -24.892 1.00 97.86 N +ATOM 1269 HE1 TRP B 81 -0.164 -6.231 -25.437 1.00 97.86 H +ATOM 1270 CH2 TRP B 81 2.560 -5.237 -22.246 1.00 97.86 C +ATOM 1271 HH2 TRP B 81 2.848 -4.304 -21.785 1.00 97.86 H +ATOM 1272 CZ2 TRP B 81 1.643 -5.256 -23.314 1.00 97.86 C +ATOM 1273 HZ2 TRP B 81 1.215 -4.336 -23.681 1.00 97.86 H +ATOM 1274 CZ3 TRP B 81 3.109 -6.440 -21.772 1.00 97.86 C +ATOM 1275 HZ3 TRP B 81 3.812 -6.422 -20.952 1.00 97.86 H +ATOM 1276 N LEU B 82 3.756 -12.388 -23.728 1.00 97.71 N +ATOM 1277 H LEU B 82 4.162 -11.546 -23.346 1.00 97.71 H +ATOM 1278 CA LEU B 82 4.227 -13.649 -23.185 1.00 97.71 C +ATOM 1279 HA LEU B 82 3.458 -14.414 -23.294 1.00 97.71 H +ATOM 1280 C LEU B 82 4.521 -13.448 -21.701 1.00 97.71 C +ATOM 1281 CB LEU B 82 5.468 -14.074 -23.981 1.00 97.71 C +ATOM 1282 HB2 LEU B 82 6.169 -13.239 -24.000 1.00 97.71 H +ATOM 1283 HB3 LEU B 82 5.176 -14.282 -25.011 1.00 97.71 H +ATOM 1284 O LEU B 82 5.151 -12.458 -21.335 1.00 97.71 O +ATOM 1285 CG LEU B 82 6.186 -15.300 -23.406 1.00 97.71 C +ATOM 1286 HG LEU B 82 6.390 -15.143 -22.346 1.00 97.71 H +ATOM 1287 CD1 LEU B 82 5.353 -16.567 -23.576 1.00 97.71 C +ATOM 1288 HD11 LEU B 82 5.908 -17.412 -23.171 1.00 97.71 H +ATOM 1289 HD12 LEU B 82 5.139 -16.744 -24.630 1.00 97.71 H +ATOM 1290 HD13 LEU B 82 4.415 -16.492 -23.026 1.00 97.71 H +ATOM 1291 CD2 LEU B 82 7.528 -15.481 -24.105 1.00 97.71 C +ATOM 1292 HD21 LEU B 82 8.133 -14.582 -23.985 1.00 97.71 H +ATOM 1293 HD22 LEU B 82 8.047 -16.314 -23.632 1.00 97.71 H +ATOM 1294 HD23 LEU B 82 7.378 -15.689 -25.164 1.00 97.71 H +ATOM 1295 N ILE B 83 4.108 -14.388 -20.858 1.00 98.23 N +ATOM 1296 H ILE B 83 3.614 -15.194 -21.214 1.00 98.23 H +ATOM 1297 CA ILE B 83 4.489 -14.422 -19.449 1.00 98.23 C +ATOM 1298 HA ILE B 83 5.263 -13.671 -19.285 1.00 98.23 H +ATOM 1299 C ILE B 83 5.105 -15.784 -19.139 1.00 98.23 C +ATOM 1300 CB ILE B 83 3.298 -14.040 -18.550 1.00 98.23 C +ATOM 1301 HB ILE B 83 2.848 -13.141 -18.974 1.00 98.23 H +ATOM 1302 O ILE B 83 4.551 -16.815 -19.502 1.00 98.23 O +ATOM 1303 CG1 ILE B 83 3.813 -13.657 -17.146 1.00 98.23 C +ATOM 1304 HG12 ILE B 83 4.445 -14.446 -16.740 1.00 98.23 H +ATOM 1305 HG13 ILE B 83 4.424 -12.759 -17.238 1.00 98.23 H +ATOM 1306 CG2 ILE B 83 2.197 -15.116 -18.530 1.00 98.23 C +ATOM 1307 HG21 ILE B 83 2.524 -15.986 -17.958 1.00 98.23 H +ATOM 1308 HG22 ILE B 83 1.956 -15.438 -19.543 1.00 98.23 H +ATOM 1309 HG23 ILE B 83 1.289 -14.719 -18.078 1.00 98.23 H +ATOM 1310 CD1 ILE B 83 2.683 -13.364 -16.158 1.00 98.23 C +ATOM 1311 HD11 ILE B 83 2.185 -14.289 -15.865 1.00 98.23 H +ATOM 1312 HD12 ILE B 83 1.946 -12.724 -16.641 1.00 98.23 H +ATOM 1313 HD13 ILE B 83 3.083 -12.880 -15.267 1.00 98.23 H +ATOM 1314 N LEU B 84 6.276 -15.791 -18.513 1.00 98.12 N +ATOM 1315 H LEU B 84 6.680 -14.906 -18.241 1.00 98.12 H +ATOM 1316 CA LEU B 84 6.988 -17.015 -18.151 1.00 98.12 C +ATOM 1317 HA LEU B 84 6.367 -17.888 -18.357 1.00 98.12 H +ATOM 1318 C LEU B 84 7.297 -17.013 -16.662 1.00 98.12 C +ATOM 1319 CB LEU B 84 8.288 -17.133 -18.952 1.00 98.12 C +ATOM 1320 HB2 LEU B 84 8.909 -16.270 -18.712 1.00 98.12 H +ATOM 1321 HB3 LEU B 84 8.799 -18.032 -18.611 1.00 98.12 H +ATOM 1322 O LEU B 84 7.593 -15.956 -16.105 1.00 98.12 O +ATOM 1323 CG LEU B 84 8.137 -17.226 -20.475 1.00 98.12 C +ATOM 1324 HG LEU B 84 7.621 -16.343 -20.853 1.00 98.12 H +ATOM 1325 CD1 LEU B 84 9.541 -17.260 -21.077 1.00 98.12 C +ATOM 1326 HD11 LEU B 84 10.090 -18.125 -20.704 1.00 98.12 H +ATOM 1327 HD12 LEU B 84 9.468 -17.321 -22.163 1.00 98.12 H +ATOM 1328 HD13 LEU B 84 10.073 -16.346 -20.814 1.00 98.12 H +ATOM 1329 CD2 LEU B 84 7.395 -18.486 -20.921 1.00 98.12 C +ATOM 1330 HD21 LEU B 84 6.347 -18.424 -20.627 1.00 98.12 H +ATOM 1331 HD22 LEU B 84 7.445 -18.588 -22.005 1.00 98.12 H +ATOM 1332 HD23 LEU B 84 7.843 -19.369 -20.464 1.00 98.12 H +ATOM 1333 N GLY B 85 7.257 -18.188 -16.038 1.00 98.23 N +ATOM 1334 H GLY B 85 7.111 -19.033 -16.571 1.00 98.23 H +ATOM 1335 CA GLY B 85 7.517 -18.346 -14.615 1.00 98.23 C +ATOM 1336 HA2 GLY B 85 7.756 -17.370 -14.193 1.00 98.23 H +ATOM 1337 HA3 GLY B 85 6.622 -18.704 -14.104 1.00 98.23 H +ATOM 1338 C GLY B 85 8.673 -19.294 -14.316 1.00 98.23 C +ATOM 1339 O GLY B 85 9.059 -20.125 -15.140 1.00 98.23 O +ATOM 1340 N ILE B 86 9.263 -19.130 -13.136 1.00 97.91 N +ATOM 1341 H ILE B 86 8.929 -18.383 -12.542 1.00 97.91 H +ATOM 1342 CA ILE B 86 10.315 -19.999 -12.601 1.00 97.91 C +ATOM 1343 HA ILE B 86 10.095 -21.020 -12.913 1.00 97.91 H +ATOM 1344 C ILE B 86 10.291 -19.960 -11.071 1.00 97.91 C +ATOM 1345 CB ILE B 86 11.694 -19.596 -13.181 1.00 97.91 C +ATOM 1346 HB ILE B 86 11.586 -19.550 -14.265 1.00 97.91 H +ATOM 1347 O ILE B 86 9.977 -18.923 -10.484 1.00 97.91 O +ATOM 1348 CG1 ILE B 86 12.768 -20.662 -12.882 1.00 97.91 C +ATOM 1349 HG12 ILE B 86 12.380 -21.639 -13.172 1.00 97.91 H +ATOM 1350 HG13 ILE B 86 12.983 -20.684 -11.813 1.00 97.91 H +ATOM 1351 CG2 ILE B 86 12.139 -18.204 -12.702 1.00 97.91 C +ATOM 1352 HG21 ILE B 86 12.427 -18.239 -11.652 1.00 97.91 H +ATOM 1353 HG22 ILE B 86 11.307 -17.508 -12.816 1.00 97.91 H +ATOM 1354 HG23 ILE B 86 12.980 -17.848 -13.297 1.00 97.91 H +ATOM 1355 CD1 ILE B 86 14.086 -20.435 -13.634 1.00 97.91 C +ATOM 1356 HD11 ILE B 86 13.896 -20.359 -14.705 1.00 97.91 H +ATOM 1357 HD12 ILE B 86 14.754 -21.278 -13.450 1.00 97.91 H +ATOM 1358 HD13 ILE B 86 14.573 -19.525 -13.284 1.00 97.91 H +ATOM 1359 N LYS B 87 10.645 -21.071 -10.417 1.00 98.06 N +ATOM 1360 H LYS B 87 10.847 -21.903 -10.952 1.00 98.06 H +ATOM 1361 CA LYS B 87 10.869 -21.108 -8.964 1.00 98.06 C +ATOM 1362 HA LYS B 87 9.945 -20.844 -8.450 1.00 98.06 H +ATOM 1363 C LYS B 87 11.913 -20.070 -8.563 1.00 98.06 C +ATOM 1364 CB LYS B 87 11.311 -22.514 -8.507 1.00 98.06 C +ATOM 1365 HB2 LYS B 87 11.734 -23.050 -9.357 1.00 98.06 H +ATOM 1366 HB3 LYS B 87 12.107 -22.426 -7.769 1.00 98.06 H +ATOM 1367 O LYS B 87 12.982 -19.965 -9.170 1.00 98.06 O +ATOM 1368 CG LYS B 87 10.194 -23.375 -7.891 1.00 98.06 C +ATOM 1369 HG2 LYS B 87 10.529 -24.412 -7.920 1.00 98.06 H +ATOM 1370 HG3 LYS B 87 9.291 -23.303 -8.497 1.00 98.06 H +ATOM 1371 CD LYS B 87 9.885 -23.024 -6.424 1.00 98.06 C +ATOM 1372 HD2 LYS B 87 10.807 -23.030 -5.844 1.00 98.06 H +ATOM 1373 HD3 LYS B 87 9.434 -22.034 -6.372 1.00 98.06 H +ATOM 1374 CE LYS B 87 8.912 -24.055 -5.835 1.00 98.06 C +ATOM 1375 HE2 LYS B 87 7.999 -24.061 -6.429 1.00 98.06 H +ATOM 1376 HE3 LYS B 87 9.371 -25.041 -5.907 1.00 98.06 H +ATOM 1377 NZ LYS B 87 8.576 -23.783 -4.419 1.00 98.06 N +ATOM 1378 HZ1 LYS B 87 9.402 -23.801 -3.837 1.00 98.06 H +ATOM 1379 HZ2 LYS B 87 8.069 -22.914 -4.323 1.00 98.06 H +ATOM 1380 HZ3 LYS B 87 7.959 -24.498 -4.059 1.00 98.06 H +ATOM 1381 N ARG B 88 11.617 -19.328 -7.503 1.00 96.32 N +ATOM 1382 H ARG B 88 10.729 -19.494 -7.050 1.00 96.32 H +ATOM 1383 CA ARG B 88 12.591 -18.495 -6.810 1.00 96.32 C +ATOM 1384 HA ARG B 88 13.094 -17.859 -7.538 1.00 96.32 H +ATOM 1385 C ARG B 88 13.622 -19.406 -6.142 1.00 96.32 C +ATOM 1386 CB ARG B 88 11.835 -17.618 -5.810 1.00 96.32 C +ATOM 1387 HB2 ARG B 88 11.255 -18.256 -5.143 1.00 96.32 H +ATOM 1388 HB3 ARG B 88 11.148 -16.974 -6.358 1.00 96.32 H +ATOM 1389 O ARG B 88 13.266 -20.358 -5.457 1.00 96.32 O +ATOM 1390 CG ARG B 88 12.775 -16.760 -4.966 1.00 96.32 C +ATOM 1391 HG2 ARG B 88 13.384 -17.405 -4.333 1.00 96.32 H +ATOM 1392 HG3 ARG B 88 13.429 -16.164 -5.600 1.00 96.32 H +ATOM 1393 CD ARG B 88 11.926 -15.858 -4.078 1.00 96.32 C +ATOM 1394 HD2 ARG B 88 11.171 -16.472 -3.587 1.00 96.32 H +ATOM 1395 HD3 ARG B 88 11.408 -15.118 -4.689 1.00 96.32 H +ATOM 1396 NE ARG B 88 12.743 -15.195 -3.051 1.00 96.32 N +ATOM 1397 HE ARG B 88 13.734 -15.386 -3.038 1.00 96.32 H +ATOM 1398 NH1 ARG B 88 10.962 -14.252 -1.969 1.00 96.32 N +ATOM 1399 HH11 ARG B 88 10.602 -13.604 -1.282 1.00 96.32 H +ATOM 1400 HH12 ARG B 88 10.302 -14.735 -2.560 1.00 96.32 H +ATOM 1401 NH2 ARG B 88 13.025 -13.946 -1.179 1.00 96.32 N +ATOM 1402 HH21 ARG B 88 12.581 -13.377 -0.474 1.00 96.32 H +ATOM 1403 HH22 ARG B 88 14.021 -14.114 -1.155 1.00 96.32 H +ATOM 1404 CZ ARG B 88 12.241 -14.467 -2.074 1.00 96.32 C +ATOM 1405 N LEU B 89 14.907 -19.100 -6.325 1.00 92.82 N +ATOM 1406 H LEU B 89 15.134 -18.314 -6.918 1.00 92.82 H +ATOM 1407 CA LEU B 89 15.990 -19.864 -5.701 1.00 92.82 C +ATOM 1408 HA LEU B 89 15.943 -20.888 -6.069 1.00 92.82 H +ATOM 1409 C LEU B 89 15.813 -19.912 -4.175 1.00 92.82 C +ATOM 1410 CB LEU B 89 17.354 -19.247 -6.064 1.00 92.82 C +ATOM 1411 HB2 LEU B 89 18.117 -19.682 -5.418 1.00 92.82 H +ATOM 1412 HB3 LEU B 89 17.314 -18.180 -5.844 1.00 92.82 H +ATOM 1413 O LEU B 89 15.650 -18.871 -3.537 1.00 92.82 O +ATOM 1414 CG LEU B 89 17.784 -19.451 -7.526 1.00 92.82 C +ATOM 1415 HG LEU B 89 16.982 -19.135 -8.192 1.00 92.82 H +ATOM 1416 CD1 LEU B 89 19.017 -18.594 -7.819 1.00 92.82 C +ATOM 1417 HD11 LEU B 89 18.795 -17.545 -7.623 1.00 92.82 H +ATOM 1418 HD12 LEU B 89 19.852 -18.910 -7.194 1.00 92.82 H +ATOM 1419 HD13 LEU B 89 19.294 -18.700 -8.869 1.00 92.82 H +ATOM 1420 CD2 LEU B 89 18.142 -20.910 -7.820 1.00 92.82 C +ATOM 1421 HD21 LEU B 89 18.916 -21.257 -7.136 1.00 92.82 H +ATOM 1422 HD22 LEU B 89 17.258 -21.541 -7.716 1.00 92.82 H +ATOM 1423 HD23 LEU B 89 18.501 -21.001 -8.845 1.00 92.82 H +ATOM 1424 N GLY B 90 15.883 -21.120 -3.611 1.00 92.89 N +ATOM 1425 H GLY B 90 15.926 -21.926 -4.218 1.00 92.89 H +ATOM 1426 CA GLY B 90 15.725 -21.377 -2.176 1.00 92.89 C +ATOM 1427 HA2 GLY B 90 16.421 -22.164 -1.883 1.00 92.89 H +ATOM 1428 HA3 GLY B 90 15.973 -20.479 -1.611 1.00 92.89 H +ATOM 1429 C GLY B 90 14.324 -21.822 -1.744 1.00 92.89 C +ATOM 1430 O GLY B 90 14.164 -22.167 -0.575 1.00 92.89 O +ATOM 1431 N PHE B 91 13.352 -21.841 -2.659 1.00 91.23 N +ATOM 1432 H PHE B 91 13.569 -21.584 -3.611 1.00 91.23 H +ATOM 1433 CA PHE B 91 12.009 -22.389 -2.449 1.00 91.23 C +ATOM 1434 HA PHE B 91 11.848 -22.589 -1.389 1.00 91.23 H +ATOM 1435 C PHE B 91 11.793 -23.720 -3.164 1.00 91.23 C +ATOM 1436 CB PHE B 91 10.963 -21.372 -2.913 1.00 91.23 C +ATOM 1437 HB2 PHE B 91 10.001 -21.884 -2.933 1.00 91.23 H +ATOM 1438 HB3 PHE B 91 11.181 -21.048 -3.930 1.00 91.23 H +ATOM 1439 O PHE B 91 12.574 -24.048 -4.084 1.00 91.23 O +ATOM 1440 CG PHE B 91 10.822 -20.171 -2.012 1.00 91.23 C +ATOM 1441 CD1 PHE B 91 9.815 -20.160 -1.034 1.00 91.23 C +ATOM 1442 HD1 PHE B 91 9.144 -21.001 -0.939 1.00 91.23 H +ATOM 1443 CD2 PHE B 91 11.704 -19.085 -2.129 1.00 91.23 C +ATOM 1444 HD2 PHE B 91 12.495 -19.121 -2.864 1.00 91.23 H +ATOM 1445 CE1 PHE B 91 9.680 -19.058 -0.180 1.00 91.23 C +ATOM 1446 HE1 PHE B 91 8.898 -19.078 0.564 1.00 91.23 H +ATOM 1447 CE2 PHE B 91 11.585 -17.991 -1.255 1.00 91.23 C +ATOM 1448 HE2 PHE B 91 12.296 -17.180 -1.301 1.00 91.23 H +ATOM 1449 CZ PHE B 91 10.569 -17.974 -0.286 1.00 91.23 C +ATOM 1450 HZ PHE B 91 10.498 -17.143 0.401 1.00 91.23 H +ATOM 1451 OXT PHE B 91 10.751 -24.334 -2.850 1.00 91.23 O diff --git a/tests/test_pdb.py b/tests/test_pdb.py new file mode 100644 index 0000000..caa6bfe --- /dev/null +++ b/tests/test_pdb.py @@ -0,0 +1,22 @@ +import pytest +from context import RESOURCE_PATH + +import rmsd as rmsdlib + + +def test_pdb_only_carbon_possible() -> None: + + filename_a = RESOURCE_PATH / "issue98" / "test1.pdb" + filename_b = RESOURCE_PATH / "issue98" / "test2.pdb" + + # Structure does not have the same size, so standard cannot work + with pytest.raises(SystemExit): + cmd = f"{filename_a} {filename_b}" + _ = rmsdlib.main(cmd.split()) + + cmd = f"--reorder --reorder-method qml --only-alpha-carbons {filename_a} {filename_b}" + out = rmsdlib.main(cmd.split()) + + print(out) + rmsd = float(out) + assert isinstance(rmsd, float) diff --git a/tests/test_reorder_qml.py b/tests/test_reorder_qml.py index 60e4372..7d31709 100644 --- a/tests/test_reorder_qml.py +++ b/tests/test_reorder_qml.py @@ -104,3 +104,16 @@ def test_reorder_qml_distmat() -> None: # Assert this is the same molecule pytest.approx(0.0) == _rmsd + + +def test_pdb_only_carbon_possible() -> None: + + filename_a = RESOURCE_PATH / "issue98" / "test1.pdb" + filename_b = RESOURCE_PATH / "issue98" / "test2.pdb" + + cmd = f"--reorder --reorder-method qml --only-alpha-carbons {filename_a} {filename_b}" + out = rmsdlib.main(cmd.split()) + + print(out) + rmsd = float(out) + assert isinstance(rmsd, float)