Browse entries in the PDBbind-CN Database
HEADER 5VFJ_COMPLEX COMPND 5VFJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU PHE GLU LEU GLY LYS MET ILE LEU GLN GLU THR SEQRES 2 A 121 GLY LYS ASN PRO ALA LYS SER TYR GLY ALA TYR GLY CYS SEQRES 3 A 121 ASN CYS GLY VAL LEU GLY ARG GLY GLN PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS TYR VAL HIS LYS CYS CYS TYR LYS SEQRES 5 A 121 LYS LEU THR GLY CYS ASP PRO LYS LYS ASP ARG TYR SER SEQRES 6 A 121 TYR SER TRP LYS ASP LYS THR ILE VAL CYS GLY GLU ASN SEQRES 7 A 121 ASN PRO CYS LEU LYS GLU LEU CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 VAL ALA ILE CYS LEU ARG GLU ASN LEU GLY THR TYR ASN SEQRES 9 A 121 LYS LYS TYR ARG TYR HIS LEU LYS PRO PHE CYS LYS LYS SEQRES 10 A 121 ALA ASP PRO CYS SEQRES 1 B 121 SER LEU PHE GLU LEU GLY LYS MET ILE LEU GLN GLU THR SEQRES 2 B 121 GLY LYS ASN PRO ALA LYS SER TYR GLY ALA TYR GLY CYS SEQRES 3 B 121 ASN CYS GLY VAL LEU GLY ARG GLY GLN PRO LYS ASP ALA SEQRES 4 B 121 THR ASP ARG CYS CYS TYR VAL HIS LYS CYS CYS TYR LYS SEQRES 5 B 121 LYS LEU THR GLY CYS ASP PRO LYS LYS ASP ARG TYR SER SEQRES 6 B 121 TYR SER TRP LYS ASP LYS THR ILE VAL CYS GLY GLU ASN SEQRES 7 B 121 ASN PRO CYS LEU LYS GLU LEU CYS GLU CYS ASP LYS ALA SEQRES 8 B 121 VAL ALA ILE CYS LEU ARG GLU ASN LEU GLY THR TYR ASN SEQRES 9 B 121 LYS LYS TYR ARG TYR HIS LEU LYS PRO PHE CYS LYS LYS SEQRES 10 B 121 ALA ASP PRO CYS HET DHC A 470 20 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 SSBOND 8 CYS B 29 CYS B 45 SSBOND 9 CYS B 61 CYS B 91 SSBOND 10 CYS B 84 CYS B 96 SSBOND 11 CYS B 51 CYS B 98 SSBOND 12 CYS B 44 CYS B 105 SSBOND 13 CYS B 27 CYS B 126 SSBOND 14 CYS B 50 CYS B 133 ATOM 1 N SER A 1 1.517 22.170 75.055 1.00 33.19 N ATOM 2 CA SER A 1 0.317 21.340 75.072 1.00 33.59 C ATOM 3 C SER A 1 0.325 20.409 73.881 1.00 30.77 C ATOM 4 O SER A 1 1.297 20.365 73.132 1.00 33.45 O ATOM 5 CB SER A 1 -0.952 22.195 75.046 1.00 35.39 C ATOM 6 OG SER A 1 -1.237 22.646 73.732 1.00 36.92 O ATOM 7 HG SER A 1 -0.480 23.191 73.400 1.00 0.00 H ATOM 8 HN3 SER A 1 1.537 22.730 74.179 1.00 0.00 H ATOM 9 HN2 SER A 1 2.359 21.561 75.098 1.00 0.00 H ATOM 10 HN1 SER A 1 1.507 22.809 75.876 1.00 0.00 H ATOM 11 N LEU A 2 -0.771 19.684 73.690 1.00 31.27 N ATOM 12 CA LEU A 2 -0.885 18.762 72.565 1.00 30.19 C ATOM 13 C LEU A 2 -0.868 19.500 71.230 1.00 32.46 C ATOM 14 O LEU A 2 -0.471 18.935 70.212 1.00 35.76 O ATOM 15 CB LEU A 2 -2.159 17.922 72.685 1.00 34.55 C ATOM 16 CG LEU A 2 -2.244 16.987 73.894 1.00 33.28 C ATOM 17 CD1 LEU A 2 -3.562 16.234 73.887 1.00 38.86 C ATOM 18 CD2 LEU A 2 -1.077 16.017 73.910 1.00 27.42 C ATOM 19 H LEU A 2 -1.564 19.775 74.356 1.00 0.00 H ATOM 20 N PHE A 3 -1.294 20.762 71.236 1.00 36.93 N ATOM 21 CA PHE A 3 -1.340 21.552 70.008 1.00 31.38 C ATOM 22 C PHE A 3 0.061 21.831 69.461 1.00 32.51 C ATOM 23 O PHE A 3 0.328 21.584 68.287 1.00 28.41 O ATOM 24 CB PHE A 3 -2.085 22.870 70.237 1.00 32.59 C ATOM 25 CG PHE A 3 -3.580 22.708 70.396 1.00 42.19 C ATOM 26 CD1 PHE A 3 -4.400 22.584 69.286 1.00 43.78 C ATOM 27 CD2 PHE A 3 -4.160 22.682 71.655 1.00 44.85 C ATOM 28 CE1 PHE A 3 -5.772 22.434 69.431 1.00 51.28 C ATOM 29 CE2 PHE A 3 -5.528 22.534 71.806 1.00 51.80 C ATOM 30 CZ PHE A 3 -6.335 22.411 70.694 1.00 52.76 C ATOM 31 H PHE A 3 -1.600 21.193 72.132 1.00 0.00 H ATOM 32 N GLU A 4 0.943 22.354 70.310 1.00 25.62 N ATOM 33 CA GLU A 4 2.315 22.637 69.905 1.00 33.88 C ATOM 34 C GLU A 4 3.055 21.347 69.564 1.00 29.93 C ATOM 35 O GLU A 4 3.786 21.295 68.575 1.00 26.94 O ATOM 36 CB GLU A 4 3.070 23.401 71.000 1.00 30.89 C ATOM 37 CG GLU A 4 2.602 24.833 71.215 1.00 31.89 C ATOM 38 CD GLU A 4 1.342 24.922 72.061 1.00 41.44 C ATOM 39 OE1 GLU A 4 0.898 23.878 72.584 1.00 40.61 O ATOM 40 OE2 GLU A 4 0.797 26.038 72.204 1.00 43.00 O ATOM 41 H GLU A 4 0.647 22.566 71.284 1.00 0.00 H ATOM 42 N LEU A 5 2.859 20.310 70.378 1.00 25.07 N ATOM 43 CA LEU A 5 3.512 19.020 70.143 1.00 24.21 C ATOM 44 C LEU A 5 3.126 18.438 68.782 1.00 24.44 C ATOM 45 O LEU A 5 3.987 17.998 68.021 1.00 23.40 O ATOM 46 CB LEU A 5 3.165 18.027 71.255 1.00 26.82 C ATOM 47 CG LEU A 5 3.555 16.562 71.020 1.00 29.57 C ATOM 48 CD1 LEU A 5 5.067 16.401 70.847 1.00 19.79 C ATOM 49 CD2 LEU A 5 3.031 15.675 72.146 1.00 29.55 C ATOM 50 H LEU A 5 2.229 20.419 71.198 1.00 0.00 H ATOM 51 N GLY A 6 1.832 18.447 68.474 1.00 22.89 N ATOM 52 CA GLY A 6 1.354 17.918 67.209 1.00 20.31 C ATOM 53 C GLY A 6 1.888 18.713 66.032 1.00 24.82 C ATOM 54 O GLY A 6 2.176 18.165 64.971 1.00 26.95 O ATOM 55 H GLY A 6 1.149 18.841 69.153 1.00 0.00 H ATOM 56 N LYS A 7 2.020 20.020 66.224 1.00 23.93 N ATOM 57 CA LYS A 7 2.524 20.896 65.177 1.00 21.92 C ATOM 58 C LYS A 7 4.017 20.649 64.929 1.00 20.43 C ATOM 59 O LYS A 7 4.471 20.620 63.785 1.00 23.19 O ATOM 60 CB LYS A 7 2.274 22.356 65.549 1.00 22.50 C ATOM 61 CG LYS A 7 2.459 23.334 64.407 1.00 28.79 C ATOM 62 CD LYS A 7 2.195 24.756 64.878 1.00 37.23 C ATOM 63 CE LYS A 7 1.595 25.608 63.775 1.00 44.76 C ATOM 64 NZ LYS A 7 0.902 26.798 64.345 1.00 51.55 N ATOM 65 HZ1 LYS A 7 0.140 26.483 64.979 1.00 0.00 H ATOM 66 HZ2 LYS A 7 1.585 27.372 64.880 1.00 0.00 H ATOM 67 HZ3 LYS A 7 0.499 27.366 63.573 1.00 0.00 H ATOM 68 H LYS A 7 1.757 20.427 67.144 1.00 0.00 H ATOM 69 N MET A 8 4.775 20.468 66.004 1.00 22.28 N ATOM 70 CA MET A 8 6.198 20.146 65.890 1.00 27.30 C ATOM 71 C MET A 8 6.408 18.857 65.092 1.00 23.59 C ATOM 72 O MET A 8 7.231 18.803 64.180 1.00 25.80 O ATOM 73 CB MET A 8 6.829 20.010 67.280 1.00 30.73 C ATOM 74 CG MET A 8 7.064 21.326 68.042 1.00 25.89 C ATOM 75 SD MET A 8 7.888 20.965 69.617 1.00 23.56 S ATOM 76 CE MET A 8 7.969 22.557 70.445 1.00 29.11 C ATOM 77 H MET A 8 4.348 20.557 66.948 1.00 0.00 H ATOM 78 N ILE A 9 5.653 17.822 65.449 1.00 24.24 N ATOM 79 CA ILE A 9 5.727 16.532 64.774 1.00 21.97 C ATOM 80 C ILE A 9 5.397 16.681 63.291 1.00 21.76 C ATOM 81 O ILE A 9 6.059 16.090 62.443 1.00 21.82 O ATOM 82 CB ILE A 9 4.766 15.499 65.424 1.00 23.80 C ATOM 83 CG1 ILE A 9 5.213 15.183 66.855 1.00 21.65 C ATOM 84 CG2 ILE A 9 4.718 14.221 64.605 1.00 23.57 C ATOM 85 CD1 ILE A 9 4.266 14.238 67.603 1.00 21.76 C ATOM 86 H ILE A 9 4.986 17.937 66.238 1.00 0.00 H ATOM 87 N LEU A 10 4.363 17.462 62.983 1.00 23.94 N ATOM 88 CA LEU A 10 4.001 17.735 61.595 1.00 21.64 C ATOM 89 C LEU A 10 5.124 18.483 60.882 1.00 24.55 C ATOM 90 O LEU A 10 5.458 18.185 59.741 1.00 25.27 O ATOM 91 CB LEU A 10 2.696 18.544 61.514 1.00 19.41 C ATOM 92 CG LEU A 10 2.332 19.131 60.143 1.00 20.59 C ATOM 93 CD1 LEU A 10 2.237 18.044 59.080 1.00 24.76 C ATOM 94 CD2 LEU A 10 1.017 19.906 60.208 1.00 23.99 C ATOM 95 H LEU A 10 3.801 17.887 63.748 1.00 0.00 H ATOM 96 N GLN A 11 5.705 19.465 61.557 1.00 24.74 N ATOM 97 CA GLN A 11 6.749 20.275 60.940 1.00 24.71 C ATOM 98 C GLN A 11 7.989 19.451 60.603 1.00 24.27 C ATOM 99 O GLN A 11 8.626 19.671 59.575 1.00 27.15 O ATOM 100 CB GLN A 11 7.109 21.443 61.854 1.00 22.40 C ATOM 101 CG GLN A 11 6.063 22.552 61.815 1.00 27.10 C ATOM 102 CD GLN A 11 6.215 23.541 62.945 1.00 30.70 C ATOM 103 OE1 GLN A 11 6.808 23.229 63.976 1.00 36.91 O ATOM 104 NE2 GLN A 11 5.680 24.742 62.760 1.00 32.27 N ATOM 105 HE22 GLN A 11 5.187 24.960 61.870 1.00 0.00 H ATOM 106 HE21 GLN A 11 5.754 25.464 63.505 1.00 0.00 H ATOM 107 H GLN A 11 5.413 19.660 62.536 1.00 0.00 H ATOM 108 N GLU A 12 8.312 18.483 61.454 1.00 24.46 N ATOM 109 CA GLU A 12 9.494 17.649 61.231 1.00 26.05 C ATOM 110 C GLU A 12 9.245 16.487 60.256 1.00 26.10 C ATOM 111 O GLU A 12 10.062 16.268 59.367 1.00 29.39 O ATOM 112 CB GLU A 12 10.017 17.095 62.566 1.00 23.79 C ATOM 113 CG GLU A 12 10.699 18.120 63.481 1.00 21.05 C ATOM 114 CD GLU A 12 12.166 18.359 63.134 1.00 25.36 C ATOM 115 OE1 GLU A 12 12.815 17.430 62.608 1.00 25.17 O ATOM 116 OE2 GLU A 12 12.665 19.480 63.379 1.00 27.96 O ATOM 117 H GLU A 12 7.717 18.316 62.290 1.00 0.00 H ATOM 118 N THR A 13 8.120 15.769 60.388 1.00 24.44 N ATOM 119 CA THR A 13 8.026 14.418 59.791 1.00 24.01 C ATOM 120 C THR A 13 7.798 14.269 58.251 1.00 37.78 C ATOM 121 O THR A 13 8.426 13.396 57.659 1.00 54.64 O ATOM 122 CB THR A 13 6.960 13.559 60.544 1.00 31.88 C ATOM 123 OG1 THR A 13 5.771 14.322 60.795 1.00 27.77 O ATOM 124 CG2 THR A 13 7.540 13.082 61.873 1.00 27.37 C ATOM 125 HG1 THR A 13 5.997 15.109 61.351 1.00 0.00 H ATOM 126 H THR A 13 7.312 16.162 60.911 1.00 0.00 H ATOM 127 N GLY A 15 6.937 15.026 57.572 1.00 32.94 N ATOM 128 CA GLY A 15 5.857 15.810 58.114 1.00 29.85 C ATOM 129 C GLY A 15 4.575 15.038 57.851 1.00 33.83 C ATOM 130 O GLY A 15 3.957 15.139 56.787 1.00 31.26 O ATOM 131 H GLY A 15 7.058 15.054 56.539 1.00 0.00 H ATOM 132 N LYS A 16 4.200 14.226 58.827 1.00 33.68 N ATOM 133 CA LYS A 16 3.015 13.401 58.730 1.00 31.45 C ATOM 134 C LYS A 16 1.955 13.936 59.670 1.00 26.11 C ATOM 135 O LYS A 16 2.264 14.697 60.589 1.00 25.06 O ATOM 136 CB LYS A 16 3.353 11.949 59.070 1.00 30.80 C ATOM 137 CG LYS A 16 4.541 11.398 58.292 1.00 32.16 C ATOM 138 CD LYS A 16 4.149 10.991 56.883 1.00 35.07 C ATOM 139 CE LYS A 16 3.534 9.597 56.874 1.00 44.91 C ATOM 140 NZ LYS A 16 2.691 9.332 55.672 1.00 47.20 N ATOM 141 HZ1 LYS A 16 1.911 10.019 55.639 1.00 0.00 H ATOM 142 HZ2 LYS A 16 3.273 9.424 54.815 1.00 0.00 H ATOM 143 HZ3 LYS A 16 2.303 8.369 55.728 1.00 0.00 H ATOM 144 H LYS A 16 4.776 14.179 59.692 1.00 0.00 H ATOM 145 N ASN A 17 0.706 13.550 59.427 1.00 24.69 N ATOM 146 CA ASN A 17 -0.369 13.811 60.369 1.00 25.64 C ATOM 147 C ASN A 17 0.033 13.254 61.729 1.00 24.29 C ATOM 148 O ASN A 17 0.171 12.038 61.892 1.00 25.48 O ATOM 149 CB ASN A 17 -1.681 13.184 59.878 1.00 31.44 C ATOM 150 CG ASN A 17 -2.872 13.538 60.751 1.00 36.15 C ATOM 151 OD1 ASN A 17 -2.733 13.829 61.938 1.00 43.90 O ATOM 152 ND2 ASN A 17 -4.059 13.497 60.165 1.00 44.09 N ATOM 153 HD22 ASN A 17 -4.134 13.246 59.158 1.00 0.00 H ATOM 154 HD21 ASN A 17 -4.916 13.716 60.711 1.00 0.00 H ATOM 155 H ASN A 17 0.493 13.049 58.541 1.00 0.00 H ATOM 156 N PRO A 18 0.229 14.149 62.707 1.00 28.27 N ATOM 157 CA PRO A 18 0.741 13.788 64.034 1.00 32.72 C ATOM 158 C PRO A 18 -0.205 12.863 64.791 1.00 35.92 C ATOM 159 O PRO A 18 0.204 11.782 65.220 1.00 34.34 O ATOM 160 CB PRO A 18 0.870 15.141 64.744 1.00 35.78 C ATOM 161 CG PRO A 18 -0.098 16.042 64.028 1.00 35.44 C ATOM 162 CD PRO A 18 -0.084 15.586 62.600 1.00 34.09 C ATOM 163 N ALA A 19 -1.454 13.290 64.950 1.00 34.83 N ATOM 164 CA ALA A 19 -2.447 12.490 65.654 1.00 34.23 C ATOM 165 C ALA A 19 -2.620 11.132 64.989 1.00 28.95 C ATOM 166 O ALA A 19 -2.726 10.115 65.661 1.00 31.03 O ATOM 167 CB ALA A 19 -3.777 13.225 65.713 1.00 34.38 C ATOM 168 H ALA A 19 -1.728 14.216 64.563 1.00 0.00 H ATOM 169 N LYS A 20 -2.621 11.122 63.663 1.00 24.76 N ATOM 170 CA LYS A 20 -2.880 9.906 62.907 1.00 29.32 C ATOM 171 C LYS A 20 -1.733 8.893 62.943 1.00 34.77 C ATOM 172 O LYS A 20 -1.972 7.687 62.988 1.00 32.01 O ATOM 173 CB LYS A 20 -3.199 10.272 61.464 1.00 33.09 C ATOM 174 CG LYS A 20 -3.346 9.101 60.529 1.00 39.12 C ATOM 175 CD LYS A 20 -3.356 9.613 59.113 1.00 44.47 C ATOM 176 CE LYS A 20 -3.477 8.493 58.116 1.00 50.63 C ATOM 177 NZ LYS A 20 -3.415 9.053 56.737 1.00 59.69 N ATOM 178 HZ1 LYS A 20 -4.196 9.726 56.602 1.00 0.00 H ATOM 179 HZ2 LYS A 20 -2.507 9.542 56.603 1.00 0.00 H ATOM 180 HZ3 LYS A 20 -3.499 8.280 56.046 1.00 0.00 H ATOM 181 H LYS A 20 -2.432 12.007 63.150 1.00 0.00 H ATOM 182 N SER A 21 -0.493 9.374 62.917 1.00 34.81 N ATOM 183 CA SER A 21 0.662 8.475 62.913 1.00 34.17 C ATOM 184 C SER A 21 1.157 8.157 64.317 1.00 29.76 C ATOM 185 O SER A 21 1.660 7.062 64.575 1.00 33.75 O ATOM 186 CB SER A 21 1.811 9.070 62.096 1.00 31.28 C ATOM 187 OG SER A 21 1.517 9.049 60.712 1.00 36.81 O ATOM 188 HG SER A 21 0.699 9.580 60.542 1.00 0.00 H ATOM 189 H SER A 21 -0.342 10.403 62.899 1.00 0.00 H ATOM 190 N TYR A 22 1.008 9.110 65.227 1.00 26.84 N ATOM 191 CA TYR A 22 1.670 9.012 66.517 1.00 30.62 C ATOM 192 C TYR A 22 0.728 9.164 67.713 1.00 29.56 C ATOM 193 O TYR A 22 1.171 9.140 68.862 1.00 33.97 O ATOM 194 CB TYR A 22 2.794 10.054 66.585 1.00 28.70 C ATOM 195 CG TYR A 22 3.813 9.899 65.468 1.00 26.55 C ATOM 196 CD1 TYR A 22 4.718 8.842 65.473 1.00 30.78 C ATOM 197 CD2 TYR A 22 3.868 10.801 64.412 1.00 17.52 C ATOM 198 CE1 TYR A 22 5.648 8.688 64.456 1.00 31.41 C ATOM 199 CE2 TYR A 22 4.789 10.658 63.393 1.00 20.58 C ATOM 200 CZ TYR A 22 5.680 9.596 63.420 1.00 30.73 C ATOM 201 OH TYR A 22 6.610 9.435 62.416 1.00 32.63 O ATOM 202 HH TYR A 22 7.156 8.630 62.600 1.00 0.00 H ATOM 203 H TYR A 22 0.412 9.935 65.015 1.00 0.00 H ATOM 204 N GLY A 23 -0.566 9.296 67.446 1.00 34.23 N ATOM 205 CA GLY A 23 -1.544 9.445 68.506 1.00 30.82 C ATOM 206 C GLY A 23 -1.747 8.183 69.323 1.00 37.35 C ATOM 207 O GLY A 23 -2.082 8.253 70.507 1.00 41.80 O ATOM 208 H GLY A 23 -0.885 9.292 66.456 1.00 0.00 H ATOM 209 N ALA A 24 -1.553 7.025 68.695 1.00 35.11 N ATOM 210 CA ALA A 24 -1.771 5.749 69.371 1.00 29.49 C ATOM 211 C ALA A 24 -0.690 4.726 69.024 1.00 25.21 C ATOM 212 O ALA A 24 -0.897 3.524 69.167 1.00 39.04 O ATOM 213 CB ALA A 24 -3.163 5.193 69.025 1.00 28.22 C ATOM 214 H ALA A 24 -1.240 7.029 67.703 1.00 0.00 H ATOM 215 N TYR A 25 0.467 5.206 68.582 1.00 24.03 N ATOM 216 CA TYR A 25 1.533 4.325 68.111 1.00 31.74 C ATOM 217 C TYR A 25 2.182 3.550 69.259 1.00 32.66 C ATOM 218 O TYR A 25 2.494 4.124 70.303 1.00 39.71 O ATOM 219 CB TYR A 25 2.593 5.139 67.362 1.00 31.35 C ATOM 220 CG TYR A 25 3.589 4.301 66.589 1.00 36.60 C ATOM 221 CD1 TYR A 25 4.716 3.771 67.209 1.00 22.25 C ATOM 222 CD2 TYR A 25 3.408 4.048 65.236 1.00 35.65 C ATOM 223 CE1 TYR A 25 5.623 3.007 66.506 1.00 26.27 C ATOM 224 CE2 TYR A 25 4.318 3.286 64.525 1.00 33.78 C ATOM 225 CZ TYR A 25 5.424 2.772 65.165 1.00 29.71 C ATOM 226 OH TYR A 25 6.331 2.017 64.461 1.00 31.48 O ATOM 227 HH TYR A 25 7.059 1.729 65.067 1.00 0.00 H ATOM 228 H TYR A 25 0.618 6.235 68.571 1.00 0.00 H ATOM 229 N GLY A 26 2.385 2.249 69.053 1.00 27.62 N ATOM 230 CA GLY A 26 3.083 1.404 70.009 1.00 24.91 C ATOM 231 C GLY A 26 2.572 1.475 71.437 1.00 31.25 C ATOM 232 O GLY A 26 1.398 1.726 71.679 1.00 35.00 O ATOM 233 H GLY A 26 2.030 1.821 68.174 1.00 0.00 H ATOM 234 N CYS A 27 3.470 1.265 72.391 1.00 35.30 N ATOM 235 CA CYS A 27 3.107 1.250 73.805 1.00 35.77 C ATOM 236 C CYS A 27 3.369 2.583 74.504 1.00 33.13 C ATOM 237 O CYS A 27 3.056 2.733 75.686 1.00 30.53 O ATOM 238 CB CYS A 27 3.872 0.139 74.538 1.00 33.52 C ATOM 239 SG CYS A 27 3.478 -1.545 74.004 1.00 37.01 S ATOM 240 H CYS A 27 4.462 1.106 72.123 1.00 0.00 H ATOM 241 N ASN A 28 3.942 3.544 73.783 1.00 32.25 N ATOM 242 CA ASN A 28 4.390 4.790 74.403 1.00 31.08 C ATOM 243 C ASN A 28 3.909 6.068 73.730 1.00 25.86 C ATOM 244 O ASN A 28 3.858 7.113 74.369 1.00 26.69 O ATOM 245 CB ASN A 28 5.920 4.832 74.460 1.00 26.77 C ATOM 246 CG ASN A 28 6.497 3.769 75.362 1.00 32.37 C ATOM 247 OD1 ASN A 28 6.634 3.972 76.570 1.00 33.47 O ATOM 248 ND2 ASN A 28 6.857 2.628 74.780 1.00 33.38 N ATOM 249 HD22 ASN A 28 6.722 2.501 73.757 1.00 0.00 H ATOM 250 HD21 ASN A 28 7.273 1.863 75.349 1.00 0.00 H ATOM 251 H ASN A 28 4.073 3.406 72.761 1.00 0.00 H ATOM 252 N CYS A 29 3.585 6.006 72.444 1.00 24.78 N ATOM 253 CA CYS A 29 3.218 7.220 71.719 1.00 25.17 C ATOM 254 C CYS A 29 1.757 7.614 71.916 1.00 29.16 C ATOM 255 O CYS A 29 0.846 6.805 71.726 1.00 30.54 O ATOM 256 CB CYS A 29 3.517 7.063 70.228 1.00 28.25 C ATOM 257 SG CYS A 29 5.273 6.963 69.832 1.00 33.66 S ATOM 258 H CYS A 29 3.592 5.090 71.951 1.00 0.00 H ATOM 259 N GLY A 30 1.550 8.871 72.300 1.00 32.83 N ATOM 260 CA GLY A 30 0.217 9.421 72.451 1.00 37.98 C ATOM 261 C GLY A 30 -0.388 9.242 73.828 1.00 45.71 C ATOM 262 O GLY A 30 0.238 9.528 74.852 1.00 48.61 O ATOM 263 H GLY A 30 2.371 9.478 72.498 1.00 0.00 H ATOM 264 N VAL A 31 -1.622 8.754 73.841 1.00 44.50 N ATOM 265 CA VAL A 31 -2.408 8.623 75.062 1.00 46.10 C ATOM 266 C VAL A 31 -1.806 7.644 76.066 1.00 39.60 C ATOM 267 O VAL A 31 -0.949 6.832 75.720 1.00 37.78 O ATOM 268 CB VAL A 31 -3.843 8.170 74.740 1.00 42.72 C ATOM 269 CG1 VAL A 31 -4.630 9.313 74.122 1.00 40.09 C ATOM 270 CG2 VAL A 31 -3.814 6.961 73.811 1.00 40.08 C ATOM 271 H VAL A 31 -2.047 8.452 72.941 1.00 0.00 H ATOM 272 N LEU A 32 -2.279 7.739 77.307 1.00 40.50 N ATOM 273 CA LEU A 32 -1.868 6.869 78.411 1.00 50.97 C ATOM 274 C LEU A 32 -0.403 7.080 78.789 1.00 50.72 C ATOM 275 O LEU A 32 0.217 8.071 78.393 1.00 48.19 O ATOM 276 CB LEU A 32 -2.114 5.393 78.069 1.00 53.56 C ATOM 277 CG LEU A 32 -3.482 5.026 77.486 1.00 55.81 C ATOM 278 CD1 LEU A 32 -3.545 3.549 77.127 1.00 56.22 C ATOM 279 CD2 LEU A 32 -4.595 5.391 78.450 1.00 58.72 C ATOM 280 H LEU A 32 -2.984 8.477 77.505 1.00 0.00 H ATOM 281 N GLY A 33 0.140 6.146 79.564 1.00 46.43 N ATOM 282 CA GLY A 33 1.510 6.246 80.035 1.00 44.35 C ATOM 283 C GLY A 33 2.502 5.498 79.164 1.00 41.14 C ATOM 284 O GLY A 33 2.445 5.575 77.935 1.00 41.11 O ATOM 285 H GLY A 33 -0.431 5.322 79.840 1.00 0.00 H ATOM 286 N ARG A 34 3.414 4.774 79.807 1.00 39.19 N ATOM 287 CA ARG A 34 4.484 4.072 79.105 1.00 35.73 C ATOM 288 C ARG A 34 4.325 2.559 79.159 1.00 34.75 C ATOM 289 O ARG A 34 3.670 2.018 80.047 1.00 38.51 O ATOM 290 CB ARG A 34 5.849 4.442 79.694 1.00 41.23 C ATOM 291 CG ARG A 34 6.229 5.906 79.596 1.00 40.35 C ATOM 292 CD ARG A 34 7.518 6.186 80.374 1.00 39.46 C ATOM 293 NE ARG A 34 7.436 5.710 81.755 1.00 44.08 N ATOM 294 CZ ARG A 34 8.196 4.745 82.270 1.00 48.73 C ATOM 295 NH1 ARG A 34 9.121 4.153 81.527 1.00 51.78 N ATOM 296 NH2 ARG A 34 8.043 4.380 83.538 1.00 44.63 N ATOM 297 HE ARG A 34 6.734 6.157 82.379 1.00 0.00 H ATOM 298 HH12 ARG A 34 9.712 3.400 81.934 1.00 0.00 H ATOM 299 HH11 ARG A 34 9.256 4.442 80.537 1.00 0.00 H ATOM 300 HH22 ARG A 34 8.638 3.626 83.938 1.00 0.00 H ATOM 301 HH21 ARG A 34 7.328 4.848 84.131 1.00 0.00 H ATOM 302 H ARG A 34 3.363 4.706 80.844 1.00 0.00 H ATOM 303 N GLY A 35 4.949 1.884 78.202 1.00 33.41 N ATOM 304 CA GLY A 35 5.060 0.439 78.219 1.00 39.63 C ATOM 305 C GLY A 35 6.420 0.066 77.660 1.00 42.96 C ATOM 306 O GLY A 35 7.169 0.944 77.238 1.00 33.15 O ATOM 307 H GLY A 35 5.373 2.410 77.412 1.00 0.00 H ATOM 308 N GLN A 36 6.750 -1.221 77.656 1.00 41.09 N ATOM 309 CA GLN A 36 7.990 -1.663 77.029 1.00 38.81 C ATOM 310 C GLN A 36 7.941 -1.317 75.552 1.00 35.83 C ATOM 311 O GLN A 36 7.012 -1.715 74.854 1.00 38.23 O ATOM 312 CB GLN A 36 8.211 -3.161 77.216 1.00 43.35 C ATOM 313 CG GLN A 36 9.545 -3.643 76.675 1.00 54.13 C ATOM 314 CD GLN A 36 9.671 -5.151 76.676 1.00 62.13 C ATOM 315 OE1 GLN A 36 8.680 -5.869 76.821 1.00 67.83 O ATOM 316 NE2 GLN A 36 10.895 -5.642 76.512 1.00 66.97 N ATOM 317 HE22 GLN A 36 11.702 -4.997 76.393 1.00 0.00 H ATOM 318 HE21 GLN A 36 11.046 -6.671 76.502 1.00 0.00 H ATOM 319 H GLN A 36 6.120 -1.917 78.103 1.00 0.00 H ATOM 320 N PRO A 37 8.934 -0.559 75.075 1.00 36.06 N ATOM 321 CA PRO A 37 8.909 -0.055 73.697 1.00 40.08 C ATOM 322 C PRO A 37 8.901 -1.168 72.653 1.00 36.82 C ATOM 323 O PRO A 37 9.467 -2.238 72.870 1.00 39.77 O ATOM 324 CB PRO A 37 10.196 0.777 73.604 1.00 31.88 C ATOM 325 CG PRO A 37 10.525 1.117 75.018 1.00 33.36 C ATOM 326 CD PRO A 37 10.109 -0.074 75.816 1.00 35.29 C ATOM 327 N LYS A 38 8.257 -0.904 71.523 1.00 31.77 N ATOM 328 CA LYS A 38 8.145 -1.898 70.467 1.00 35.89 C ATOM 329 C LYS A 38 9.165 -1.673 69.353 1.00 31.11 C ATOM 330 O LYS A 38 9.562 -2.620 68.673 1.00 32.89 O ATOM 331 CB LYS A 38 6.726 -1.909 69.896 1.00 40.65 C ATOM 332 CG LYS A 38 5.723 -2.619 70.795 1.00 42.54 C ATOM 333 CD LYS A 38 4.957 -3.686 70.036 1.00 47.34 C ATOM 334 CE LYS A 38 4.753 -4.932 70.885 1.00 55.16 C ATOM 335 NZ LYS A 38 6.050 -5.576 71.249 1.00 60.30 N ATOM 336 HZ1 LYS A 38 6.555 -5.851 70.382 1.00 0.00 H ATOM 337 HZ2 LYS A 38 6.630 -4.903 71.791 1.00 0.00 H ATOM 338 HZ3 LYS A 38 5.866 -6.421 71.827 1.00 0.00 H ATOM 339 H LYS A 38 7.824 0.032 71.390 1.00 0.00 H ATOM 340 N ASP A 39 9.592 -0.427 69.169 1.00 29.55 N ATOM 341 CA ASP A 39 10.673 -0.129 68.232 1.00 34.35 C ATOM 342 C ASP A 39 11.299 1.230 68.538 1.00 29.12 C ATOM 343 O ASP A 39 11.069 1.800 69.603 1.00 37.22 O ATOM 344 CB ASP A 39 10.176 -0.174 66.781 1.00 30.70 C ATOM 345 CG ASP A 39 9.011 0.767 66.520 1.00 29.53 C ATOM 346 OD1 ASP A 39 8.651 1.564 67.413 1.00 28.14 O ATOM 347 OD2 ASP A 39 8.478 0.731 65.393 1.00 25.93 O ATOM 348 H ASP A 39 9.149 0.349 69.701 1.00 0.00 H ATOM 349 N ALA A 40 12.083 1.755 67.602 1.00 27.77 N ATOM 350 CA ALA A 40 12.776 3.022 67.828 1.00 25.37 C ATOM 351 C ALA A 40 11.792 4.194 67.924 1.00 27.42 C ATOM 352 O ALA A 40 11.930 5.058 68.795 1.00 22.09 O ATOM 353 CB ALA A 40 13.795 3.267 66.732 1.00 23.40 C ATOM 354 H ALA A 40 12.205 1.258 66.697 1.00 0.00 H ATOM 355 N THR A 41 10.799 4.219 67.035 1.00 25.65 N ATOM 356 CA THR A 41 9.774 5.256 67.081 1.00 29.17 C ATOM 357 C THR A 41 9.099 5.273 68.444 1.00 29.75 C ATOM 358 O THR A 41 8.991 6.318 69.077 1.00 30.38 O ATOM 359 CB THR A 41 8.705 5.060 65.987 1.00 30.14 C ATOM 360 OG1 THR A 41 9.260 5.402 64.713 1.00 31.31 O ATOM 361 CG2 THR A 41 7.497 5.941 66.259 1.00 23.33 C ATOM 362 HG1 THR A 41 10.037 4.818 64.525 1.00 0.00 H ATOM 363 H THR A 41 10.754 3.488 66.297 1.00 0.00 H ATOM 364 N ASP A 42 8.662 4.102 68.889 1.00 24.14 N ATOM 365 CA ASP A 42 8.031 3.957 70.189 1.00 27.68 C ATOM 366 C ASP A 42 8.941 4.452 71.316 1.00 28.61 C ATOM 367 O ASP A 42 8.489 5.125 72.240 1.00 25.34 O ATOM 368 CB ASP A 42 7.643 2.494 70.418 1.00 29.74 C ATOM 369 CG ASP A 42 6.539 2.339 71.443 1.00 30.38 C ATOM 370 OD1 ASP A 42 5.826 3.328 71.702 1.00 34.57 O ATOM 371 OD2 ASP A 42 6.369 1.223 71.976 1.00 31.55 O ATOM 372 H ASP A 42 8.775 3.261 68.288 1.00 0.00 H ATOM 373 N ARG A 43 10.230 4.141 71.223 1.00 34.03 N ATOM 374 CA ARG A 43 11.182 4.530 72.258 1.00 29.45 C ATOM 375 C ARG A 43 11.330 6.054 72.326 1.00 32.13 C ATOM 376 O ARG A 43 11.600 6.608 73.391 1.00 32.67 O ATOM 377 CB ARG A 43 12.537 3.861 72.014 1.00 28.32 C ATOM 378 CG ARG A 43 13.379 3.702 73.269 1.00 35.67 C ATOM 379 CD ARG A 43 14.546 2.735 73.058 1.00 43.61 C ATOM 380 NE ARG A 43 14.103 1.405 72.645 1.00 44.10 N ATOM 381 CZ ARG A 43 14.195 0.933 71.405 1.00 38.20 C ATOM 382 NH1 ARG A 43 14.715 1.680 70.443 1.00 32.82 N ATOM 383 NH2 ARG A 43 13.766 -0.289 71.128 1.00 43.39 N ATOM 384 HE ARG A 43 13.688 0.786 73.370 1.00 0.00 H ATOM 385 HH12 ARG A 43 14.785 1.307 69.475 1.00 0.00 H ATOM 386 HH11 ARG A 43 15.054 2.640 70.656 1.00 0.00 H ATOM 387 HH22 ARG A 43 13.838 -0.658 70.158 1.00 0.00 H ATOM 388 HH21 ARG A 43 13.357 -0.880 71.880 1.00 0.00 H ATOM 389 H ARG A 43 10.567 3.609 70.395 1.00 0.00 H ATOM 390 N CYS A 44 11.137 6.728 71.193 1.00 27.11 N ATOM 391 CA CYS A 44 11.120 8.188 71.176 1.00 26.01 C ATOM 392 C CYS A 44 10.117 8.704 72.183 1.00 28.55 C ATOM 393 O CYS A 44 10.430 9.606 72.968 1.00 22.02 O ATOM 394 CB CYS A 44 10.784 8.735 69.785 1.00 25.55 C ATOM 395 SG CYS A 44 12.055 8.444 68.547 1.00 30.21 S ATOM 396 H CYS A 44 10.996 6.205 70.305 1.00 0.00 H ATOM 397 N CYS A 45 8.919 8.114 72.159 1.00 26.78 N ATOM 398 CA CYS A 45 7.838 8.518 73.046 1.00 25.85 C ATOM 399 C CYS A 45 8.094 8.052 74.481 1.00 29.72 C ATOM 400 O CYS A 45 7.636 8.691 75.432 1.00 28.22 O ATOM 401 CB CYS A 45 6.503 7.978 72.532 1.00 27.69 C ATOM 402 SG CYS A 45 6.109 8.522 70.838 1.00 29.37 S ATOM 403 H CYS A 45 8.753 7.340 71.484 1.00 0.00 H ATOM 404 N TYR A 46 8.822 6.943 74.631 1.00 26.89 N ATOM 405 CA TYR A 46 9.246 6.465 75.949 1.00 28.38 C ATOM 406 C TYR A 46 10.066 7.553 76.638 1.00 29.14 C ATOM 407 O TYR A 46 9.740 7.979 77.746 1.00 31.29 O ATOM 408 CB TYR A 46 10.063 5.167 75.826 1.00 27.68 C ATOM 409 CG TYR A 46 10.510 4.546 77.138 1.00 29.32 C ATOM 410 CD1 TYR A 46 11.570 5.082 77.867 1.00 38.27 C ATOM 411 CD2 TYR A 46 9.908 3.394 77.623 1.00 31.54 C ATOM 412 CE1 TYR A 46 11.990 4.506 79.060 1.00 40.40 C ATOM 413 CE2 TYR A 46 10.322 2.809 78.812 1.00 38.23 C ATOM 414 CZ TYR A 46 11.365 3.370 79.525 1.00 40.89 C ATOM 415 OH TYR A 46 11.779 2.794 80.705 1.00 40.45 O ATOM 416 HH TYR A 46 11.026 2.784 81.348 1.00 0.00 H ATOM 417 H TYR A 46 9.096 6.402 73.786 1.00 0.00 H ATOM 418 N VAL A 47 11.135 7.988 75.975 1.00 32.90 N ATOM 419 CA VAL A 47 11.985 9.071 76.474 1.00 24.36 C ATOM 420 C VAL A 47 11.172 10.342 76.697 1.00 28.80 C ATOM 421 O VAL A 47 11.311 11.024 77.714 1.00 25.46 O ATOM 422 CB VAL A 47 13.134 9.363 75.498 1.00 28.54 C ATOM 423 CG1 VAL A 47 13.959 10.563 75.978 1.00 23.64 C ATOM 424 CG2 VAL A 47 14.014 8.127 75.340 1.00 26.13 C ATOM 425 H VAL A 47 11.376 7.541 75.067 1.00 0.00 H ATOM 426 N HIS A 48 10.321 10.631 75.722 1.00 22.62 N ATOM 427 CA HIS A 48 9.378 11.743 75.738 1.00 28.39 C ATOM 428 C HIS A 48 8.599 11.827 77.055 1.00 34.61 C ATOM 429 O HIS A 48 8.593 12.870 77.712 1.00 32.44 O ATOM 430 CB HIS A 48 8.467 11.571 74.517 1.00 27.66 C ATOM 431 CG HIS A 48 7.258 12.451 74.486 1.00 31.42 C ATOM 432 ND1 HIS A 48 6.096 12.059 73.839 1.00 27.66 N ATOM 433 CD2 HIS A 48 7.025 13.695 74.945 1.00 39.19 C ATOM 434 CE1 HIS A 48 5.199 13.018 73.936 1.00 39.28 C ATOM 435 NE2 HIS A 48 5.739 14.031 74.600 1.00 47.20 N ATOM 436 H HIS A 48 10.327 10.018 74.882 1.00 0.00 H ATOM 437 N LYS A 49 7.985 10.718 77.463 1.00 34.04 N ATOM 438 CA LYS A 49 7.196 10.696 78.690 1.00 30.46 C ATOM 439 C LYS A 49 8.059 10.672 79.953 1.00 34.69 C ATOM 440 O LYS A 49 7.662 11.216 80.984 1.00 33.45 O ATOM 441 CB LYS A 49 6.237 9.509 78.673 1.00 31.10 C ATOM 442 CG LYS A 49 4.925 9.844 77.977 1.00 32.33 C ATOM 443 CD LYS A 49 4.262 8.629 77.363 1.00 40.15 C ATOM 444 CE LYS A 49 2.958 9.022 76.673 1.00 40.58 C ATOM 445 NZ LYS A 49 2.295 7.864 75.998 1.00 45.09 N ATOM 446 HZ1 LYS A 49 2.934 7.472 75.277 1.00 0.00 H ATOM 447 HZ2 LYS A 49 2.076 7.132 76.704 1.00 0.00 H ATOM 448 HZ3 LYS A 49 1.415 8.185 75.546 1.00 0.00 H ATOM 449 H LYS A 49 8.070 9.850 76.896 1.00 0.00 H ATOM 450 N CYS A 50 9.238 10.056 79.878 1.00 33.04 N ATOM 451 CA CYS A 50 10.189 10.128 80.985 1.00 33.45 C ATOM 452 C CYS A 50 10.643 11.570 81.184 1.00 32.07 C ATOM 453 O CYS A 50 10.905 12.008 82.307 1.00 35.96 O ATOM 454 CB CYS A 50 11.395 9.213 80.742 1.00 31.81 C ATOM 455 SG CYS A 50 11.032 7.444 80.926 1.00 36.33 S ATOM 456 H CYS A 50 9.484 9.518 79.022 1.00 0.00 H ATOM 457 N CYS A 51 10.727 12.306 80.082 1.00 26.63 N ATOM 458 CA CYS A 51 11.106 13.713 80.117 1.00 29.63 C ATOM 459 C CYS A 51 10.042 14.527 80.855 1.00 34.83 C ATOM 460 O CYS A 51 10.364 15.414 81.647 1.00 27.71 O ATOM 461 CB CYS A 51 11.306 14.244 78.691 1.00 24.89 C ATOM 462 SG CYS A 51 12.058 15.889 78.547 1.00 32.48 S ATOM 463 H CYS A 51 10.516 11.864 79.164 1.00 0.00 H ATOM 464 N TYR A 52 8.775 14.207 80.593 1.00 30.57 N ATOM 465 CA TYR A 52 7.651 14.886 81.234 1.00 31.86 C ATOM 466 C TYR A 52 7.678 14.752 82.757 1.00 34.10 C ATOM 467 O TYR A 52 7.243 15.655 83.472 1.00 33.02 O ATOM 468 CB TYR A 52 6.320 14.337 80.713 1.00 32.66 C ATOM 469 CG TYR A 52 5.887 14.842 79.351 1.00 32.48 C ATOM 470 CD1 TYR A 52 6.620 15.805 78.667 1.00 28.48 C ATOM 471 CD2 TYR A 52 4.736 14.345 78.750 1.00 30.46 C ATOM 472 CE1 TYR A 52 6.214 16.254 77.418 1.00 24.94 C ATOM 473 CE2 TYR A 52 4.324 14.786 77.510 1.00 25.77 C ATOM 474 CZ TYR A 52 5.059 15.744 76.851 1.00 27.18 C ATOM 475 OH TYR A 52 4.638 16.170 75.609 1.00 26.36 O ATOM 476 HH TYR A 52 5.265 16.855 75.266 1.00 0.00 H ATOM 477 H TYR A 52 8.580 13.448 79.909 1.00 0.00 H ATOM 478 N LYS A 53 8.176 13.621 83.250 1.00 33.71 N ATOM 479 CA LYS A 53 8.161 13.353 84.684 1.00 36.74 C ATOM 480 C LYS A 53 9.060 14.311 85.468 1.00 38.93 C ATOM 481 O LYS A 53 8.878 14.492 86.670 1.00 41.48 O ATOM 482 CB LYS A 53 8.570 11.903 84.963 1.00 40.83 C ATOM 483 CG LYS A 53 7.464 10.893 84.698 1.00 44.65 C ATOM 484 CD LYS A 53 7.874 9.492 85.126 1.00 51.03 C ATOM 485 CE LYS A 53 6.815 8.466 84.753 1.00 51.76 C ATOM 486 NZ LYS A 53 7.133 7.124 85.313 1.00 54.45 N ATOM 487 HZ1 LYS A 53 8.049 6.802 84.940 1.00 0.00 H ATOM 488 HZ2 LYS A 53 7.182 7.185 86.350 1.00 0.00 H ATOM 489 HZ3 LYS A 53 6.390 6.450 85.039 1.00 0.00 H ATOM 490 H LYS A 53 8.583 12.916 82.602 1.00 0.00 H ATOM 491 N LYS A 57 10.018 14.930 84.784 1.00 35.15 N ATOM 492 CA LYS A 57 10.943 15.852 85.436 1.00 38.58 C ATOM 493 C LYS A 57 10.420 17.288 85.477 1.00 40.08 C ATOM 494 O LYS A 57 11.076 18.177 86.019 1.00 41.87 O ATOM 495 CB LYS A 57 12.302 15.819 84.733 1.00 39.40 C ATOM 496 CG LYS A 57 12.819 14.418 84.462 1.00 47.07 C ATOM 497 CD LYS A 57 13.471 14.336 83.091 1.00 50.82 C ATOM 498 CE LYS A 57 14.599 13.311 83.073 1.00 56.02 C ATOM 499 NZ LYS A 57 14.090 11.909 83.015 1.00 57.38 N ATOM 500 HZ1 LYS A 57 13.497 11.722 83.849 1.00 0.00 H ATOM 501 HZ2 LYS A 57 13.525 11.782 82.151 1.00 0.00 H ATOM 502 HZ3 LYS A 57 14.894 11.250 83.005 1.00 0.00 H ATOM 503 H LYS A 57 10.110 14.753 83.763 1.00 0.00 H ATOM 504 N LEU A 58 9.241 17.515 84.905 1.00 38.69 N ATOM 505 CA LEU A 58 8.647 18.851 84.912 1.00 41.00 C ATOM 506 C LEU A 58 8.193 19.218 86.322 1.00 44.30 C ATOM 507 O LEU A 58 7.941 18.338 87.140 1.00 46.98 O ATOM 508 CB LEU A 58 7.482 18.929 83.927 1.00 35.34 C ATOM 509 CG LEU A 58 7.894 18.677 82.475 1.00 34.84 C ATOM 510 CD1 LEU A 58 6.687 18.665 81.550 1.00 28.36 C ATOM 511 CD2 LEU A 58 8.918 19.709 82.024 1.00 33.46 C ATOM 512 H LEU A 58 8.734 16.731 84.446 1.00 0.00 H ATOM 513 N THR A 59 8.104 20.512 86.614 1.00 45.77 N ATOM 514 CA THR A 59 7.796 20.951 87.972 1.00 50.14 C ATOM 515 C THR A 59 6.560 21.850 88.064 1.00 51.43 C ATOM 516 O THR A 59 6.650 22.990 88.525 1.00 60.04 O ATOM 517 CB THR A 59 8.991 21.706 88.600 1.00 53.12 C ATOM 518 OG1 THR A 59 9.209 22.937 87.901 1.00 57.79 O ATOM 519 CG2 THR A 59 10.254 20.862 88.536 1.00 50.29 C ATOM 520 HG1 THR A 59 8.397 23.499 87.964 1.00 0.00 H ATOM 521 H THR A 59 8.255 21.219 85.867 1.00 0.00 H ATOM 522 N GLY A 60 5.409 21.343 87.634 1.00 40.57 N ATOM 523 CA GLY A 60 4.162 22.040 87.889 1.00 42.43 C ATOM 524 C GLY A 60 3.316 22.459 86.701 1.00 47.57 C ATOM 525 O GLY A 60 2.191 22.930 86.880 1.00 52.17 O ATOM 526 H GLY A 60 5.402 20.443 87.113 1.00 0.00 H ATOM 527 N CYS A 61 3.835 22.305 85.489 1.00 44.26 N ATOM 528 CA CYS A 61 3.044 22.640 84.310 1.00 42.04 C ATOM 529 C CYS A 61 2.379 21.394 83.721 1.00 39.75 C ATOM 530 O CYS A 61 2.774 20.266 84.015 1.00 41.04 O ATOM 531 CB CYS A 61 3.906 23.347 83.258 1.00 38.35 C ATOM 532 SG CYS A 61 5.378 22.450 82.723 1.00 59.07 S ATOM 533 H CYS A 61 4.805 21.946 85.380 1.00 0.00 H ATOM 534 N ASP A 67 1.360 21.613 82.898 1.00 35.38 N ATOM 535 CA ASP A 67 0.575 20.530 82.312 1.00 35.14 C ATOM 536 C ASP A 67 1.011 20.256 80.876 1.00 34.51 C ATOM 537 O ASP A 67 0.719 21.043 79.980 1.00 37.96 O ATOM 538 CB ASP A 67 -0.918 20.880 82.353 1.00 36.06 C ATOM 539 CG ASP A 67 -1.813 19.673 82.137 1.00 44.22 C ATOM 540 OD1 ASP A 67 -1.384 18.712 81.465 1.00 43.90 O ATOM 541 OD2 ASP A 67 -2.960 19.691 82.632 1.00 53.96 O ATOM 542 H ASP A 67 1.111 22.595 82.661 1.00 0.00 H ATOM 543 N PRO A 68 1.697 19.125 80.651 1.00 31.39 N ATOM 544 CA PRO A 68 2.228 18.769 79.330 1.00 30.19 C ATOM 545 C PRO A 68 1.148 18.674 78.260 1.00 33.19 C ATOM 546 O PRO A 68 1.417 18.911 77.084 1.00 32.73 O ATOM 547 CB PRO A 68 2.865 17.396 79.565 1.00 36.25 C ATOM 548 CG PRO A 68 3.118 17.334 81.039 1.00 33.89 C ATOM 549 CD PRO A 68 1.994 18.093 81.659 1.00 28.91 C ATOM 550 N LYS A 69 -0.066 18.330 78.671 1.00 41.57 N ATOM 551 CA LYS A 69 -1.156 18.125 77.727 1.00 39.83 C ATOM 552 C LYS A 69 -1.902 19.406 77.376 1.00 36.41 C ATOM 553 O LYS A 69 -2.361 19.561 76.244 1.00 34.22 O ATOM 554 CB LYS A 69 -2.143 17.105 78.283 1.00 39.02 C ATOM 555 CG LYS A 69 -1.555 15.729 78.492 1.00 40.40 C ATOM 556 CD LYS A 69 -2.651 14.728 78.816 1.00 49.93 C ATOM 557 CE LYS A 69 -2.537 14.214 80.245 1.00 52.68 C ATOM 558 NZ LYS A 69 -1.441 13.214 80.377 1.00 50.85 N ATOM 559 HZ1 LYS A 69 -1.632 12.407 79.750 1.00 0.00 H ATOM 560 HZ2 LYS A 69 -0.537 13.655 80.111 1.00 0.00 H ATOM 561 HZ3 LYS A 69 -1.391 12.885 81.362 1.00 0.00 H ATOM 562 H LYS A 69 -0.243 18.204 79.688 1.00 0.00 H ATOM 563 N LYS A 70 -2.026 20.325 78.329 1.00 30.63 N ATOM 564 CA LYS A 70 -2.923 21.461 78.119 1.00 37.11 C ATOM 565 C LYS A 70 -2.278 22.838 78.227 1.00 37.84 C ATOM 566 O LYS A 70 -2.881 23.834 77.828 1.00 38.71 O ATOM 567 CB LYS A 70 -4.098 21.381 79.095 1.00 37.82 C ATOM 568 CG LYS A 70 -5.014 20.197 78.841 1.00 48.05 C ATOM 569 CD LYS A 70 -6.467 20.553 79.128 1.00 54.12 C ATOM 570 CE LYS A 70 -6.972 19.853 80.379 1.00 58.83 C ATOM 571 NZ LYS A 70 -6.126 20.155 81.567 1.00 62.00 N ATOM 572 HZ1 LYS A 70 -5.152 19.838 81.387 1.00 0.00 H ATOM 573 HZ2 LYS A 70 -6.131 21.180 81.743 1.00 0.00 H ATOM 574 HZ3 LYS A 70 -6.506 19.658 82.397 1.00 0.00 H ATOM 575 H LYS A 70 -1.490 20.237 79.216 1.00 0.00 H ATOM 576 N ASP A 71 -1.064 22.913 78.758 1.00 37.07 N ATOM 577 CA ASP A 71 -0.407 24.209 78.869 1.00 35.25 C ATOM 578 C ASP A 71 0.191 24.634 77.540 1.00 37.52 C ATOM 579 O ASP A 71 1.050 23.950 76.981 1.00 35.36 O ATOM 580 CB ASP A 71 0.670 24.187 79.949 1.00 36.58 C ATOM 581 CG ASP A 71 0.089 24.224 81.343 1.00 43.93 C ATOM 582 OD1 ASP A 71 -1.099 24.583 81.488 1.00 47.00 O ATOM 583 OD2 ASP A 71 0.822 23.898 82.295 1.00 49.85 O ATOM 584 H ASP A 71 -0.585 22.053 79.093 1.00 0.00 H ATOM 585 N ARG A 72 -0.281 25.765 77.033 1.00 39.58 N ATOM 586 CA ARG A 72 0.270 26.333 75.812 1.00 40.46 C ATOM 587 C ARG A 72 1.644 26.930 76.102 1.00 39.11 C ATOM 588 O ARG A 72 1.944 27.284 77.243 1.00 37.42 O ATOM 589 CB ARG A 72 -0.672 27.394 75.234 1.00 38.84 C ATOM 590 CG ARG A 72 -2.123 26.937 75.099 1.00 44.33 C ATOM 591 CD ARG A 72 -2.251 25.740 74.165 1.00 45.90 C ATOM 592 NE ARG A 72 -1.812 26.046 72.805 1.00 45.98 N ATOM 593 CZ ARG A 72 -2.625 26.395 71.812 1.00 49.64 C ATOM 594 NH1 ARG A 72 -3.934 26.479 72.019 1.00 48.45 N ATOM 595 NH2 ARG A 72 -2.131 26.655 70.609 1.00 47.95 N ATOM 596 HE ARG A 72 -0.794 25.987 72.600 1.00 0.00 H ATOM 597 HH12 ARG A 72 -4.567 26.752 71.240 1.00 0.00 H ATOM 598 HH11 ARG A 72 -4.326 26.272 72.960 1.00 0.00 H ATOM 599 HH22 ARG A 72 -2.768 26.928 69.833 1.00 0.00 H ATOM 600 HH21 ARG A 72 -1.107 26.586 70.441 1.00 0.00 H ATOM 601 H ARG A 72 -1.060 26.255 77.517 1.00 0.00 H ATOM 602 N TYR A 73 2.481 27.016 75.074 1.00 38.60 N ATOM 603 CA TYR A 73 3.769 27.688 75.195 1.00 36.49 C ATOM 604 C TYR A 73 4.169 28.262 73.843 1.00 39.94 C ATOM 605 O TYR A 73 3.594 27.903 72.816 1.00 37.92 O ATOM 606 CB TYR A 73 4.851 26.734 75.733 1.00 33.18 C ATOM 607 CG TYR A 73 5.060 25.462 74.933 1.00 33.98 C ATOM 608 CD1 TYR A 73 5.748 25.478 73.726 1.00 31.48 C ATOM 609 CD2 TYR A 73 4.576 24.245 75.393 1.00 38.03 C ATOM 610 CE1 TYR A 73 5.943 24.316 72.993 1.00 37.28 C ATOM 611 CE2 TYR A 73 4.764 23.080 74.671 1.00 34.53 C ATOM 612 CZ TYR A 73 5.447 23.119 73.470 1.00 35.53 C ATOM 613 OH TYR A 73 5.642 21.965 72.743 1.00 29.83 O ATOM 614 HH TYR A 73 6.156 21.317 73.287 1.00 0.00 H ATOM 615 H TYR A 73 2.211 26.594 74.162 1.00 0.00 H ATOM 616 N SER A 74 5.153 29.156 73.848 1.00 46.49 N ATOM 617 CA SER A 74 5.620 29.787 72.621 1.00 35.58 C ATOM 618 C SER A 74 6.855 29.078 72.054 1.00 45.16 C ATOM 619 O SER A 74 7.764 28.693 72.790 1.00 33.22 O ATOM 620 CB SER A 74 5.929 31.265 72.869 1.00 38.18 C ATOM 621 OG SER A 74 4.743 32.012 73.086 1.00 54.96 O ATOM 622 HG SER A 74 4.976 32.961 73.243 1.00 0.00 H ATOM 623 H SER A 74 5.601 29.411 74.751 1.00 0.00 H ATOM 624 N TYR A 75 6.861 28.893 70.738 1.00 34.29 N ATOM 625 CA TYR A 75 8.030 28.411 70.015 1.00 30.31 C ATOM 626 C TYR A 75 7.890 28.847 68.569 1.00 32.32 C ATOM 627 O TYR A 75 6.797 29.218 68.132 1.00 32.03 O ATOM 628 CB TYR A 75 8.176 26.887 70.111 1.00 29.62 C ATOM 629 CG TYR A 75 7.450 26.105 69.031 1.00 28.81 C ATOM 630 CD1 TYR A 75 6.129 25.716 69.200 1.00 26.96 C ATOM 631 CD2 TYR A 75 8.092 25.746 67.848 1.00 29.55 C ATOM 632 CE1 TYR A 75 5.463 24.997 68.222 1.00 28.09 C ATOM 633 CE2 TYR A 75 7.433 25.031 66.861 1.00 28.39 C ATOM 634 CZ TYR A 75 6.115 24.657 67.054 1.00 28.44 C ATOM 635 OH TYR A 75 5.444 23.939 66.082 1.00 26.61 O ATOM 636 HH TYR A 75 5.913 23.082 65.924 1.00 0.00 H ATOM 637 H TYR A 75 5.995 29.101 70.202 1.00 0.00 H ATOM 638 N SER A 76 8.989 28.810 67.825 1.00 30.78 N ATOM 639 CA SER A 76 8.935 29.165 66.417 1.00 35.86 C ATOM 640 C SER A 76 9.636 28.143 65.532 1.00 34.41 C ATOM 641 O SER A 76 10.443 27.332 65.996 1.00 31.22 O ATOM 642 CB SER A 76 9.532 30.558 66.201 1.00 43.65 C ATOM 643 OG SER A 76 10.809 30.651 66.797 1.00 51.41 O ATOM 644 HG SER A 76 10.731 30.483 67.769 1.00 0.00 H ATOM 645 H SER A 76 9.893 28.525 68.252 1.00 0.00 H ATOM 646 N TRP A 77 9.294 28.193 64.251 1.00 35.40 N ATOM 647 CA TRP A 77 9.852 27.321 63.229 1.00 35.89 C ATOM 648 C TRP A 77 10.796 28.165 62.381 1.00 35.43 C ATOM 649 O TRP A 77 10.379 28.779 61.400 1.00 36.63 O ATOM 650 CB TRP A 77 8.714 26.701 62.407 1.00 28.18 C ATOM 651 CG TRP A 77 9.079 25.811 61.246 1.00 27.35 C ATOM 652 CD1 TRP A 77 8.865 26.070 59.923 1.00 30.95 C ATOM 653 CD2 TRP A 77 9.672 24.504 61.308 1.00 28.36 C ATOM 654 NE1 TRP A 77 9.296 25.014 59.157 1.00 28.63 N ATOM 655 CE2 TRP A 77 9.796 24.044 59.978 1.00 28.94 C ATOM 656 CE3 TRP A 77 10.118 23.690 62.351 1.00 30.05 C ATOM 657 CZ2 TRP A 77 10.353 22.799 59.671 1.00 28.72 C ATOM 658 CZ3 TRP A 77 10.669 22.454 62.041 1.00 27.99 C ATOM 659 CH2 TRP A 77 10.782 22.023 60.711 1.00 28.55 C ATOM 660 HE1 TRP A 77 9.249 24.962 58.119 1.00 0.00 H ATOM 661 H TRP A 77 8.586 28.897 63.961 1.00 0.00 H ATOM 662 N LYS A 78 12.060 28.224 62.798 1.00 33.31 N ATOM 663 CA LYS A 78 13.048 29.104 62.170 1.00 36.53 C ATOM 664 C LYS A 78 14.089 28.311 61.398 1.00 34.16 C ATOM 665 O LYS A 78 14.777 27.469 61.973 1.00 32.23 O ATOM 666 CB LYS A 78 13.750 29.970 63.220 1.00 46.13 C ATOM 667 CG LYS A 78 12.891 31.071 63.815 1.00 52.99 C ATOM 668 CD LYS A 78 13.556 31.671 65.047 1.00 55.55 C ATOM 669 CE LYS A 78 12.731 32.810 65.627 1.00 60.34 C ATOM 670 NZ LYS A 78 12.967 32.978 67.091 1.00 63.58 N ATOM 671 HZ1 LYS A 78 12.706 32.101 67.586 1.00 0.00 H ATOM 672 HZ2 LYS A 78 13.972 33.186 67.257 1.00 0.00 H ATOM 673 HZ3 LYS A 78 12.386 33.764 67.447 1.00 0.00 H ATOM 674 H LYS A 78 12.355 27.625 63.596 1.00 0.00 H ATOM 675 N ASP A 79 14.208 28.604 60.103 1.00 33.66 N ATOM 676 CA ASP A 79 15.101 27.879 59.204 1.00 34.92 C ATOM 677 C ASP A 79 14.951 26.380 59.397 1.00 35.02 C ATOM 678 O ASP A 79 15.938 25.656 59.534 1.00 30.03 O ATOM 679 CB ASP A 79 16.555 28.302 59.420 1.00 41.28 C ATOM 680 CG ASP A 79 16.882 29.617 58.746 1.00 52.00 C ATOM 681 OD1 ASP A 79 16.037 30.115 57.970 1.00 51.82 O ATOM 682 OD2 ASP A 79 17.986 30.150 58.991 1.00 60.70 O ATOM 683 H ASP A 79 13.639 29.384 59.716 1.00 0.00 H ATOM 684 N LYS A 80 13.697 25.938 59.436 1.00 31.91 N ATOM 685 CA LYS A 80 13.352 24.529 59.575 1.00 27.26 C ATOM 686 C LYS A 80 14.004 23.925 60.811 1.00 31.60 C ATOM 687 O LYS A 80 14.509 22.804 60.792 1.00 30.37 O ATOM 688 CB LYS A 80 13.740 23.773 58.307 1.00 26.70 C ATOM 689 CG LYS A 80 13.105 24.400 57.073 1.00 27.76 C ATOM 690 CD LYS A 80 13.294 23.570 55.821 1.00 27.19 C ATOM 691 CE LYS A 80 14.653 23.784 55.194 1.00 28.10 C ATOM 692 NZ LYS A 80 14.680 23.181 53.832 1.00 32.11 N ATOM 693 HZ1 LYS A 80 14.489 22.161 53.902 1.00 0.00 H ATOM 694 HZ2 LYS A 80 13.953 23.631 53.240 1.00 0.00 H ATOM 695 HZ3 LYS A 80 15.617 23.331 53.406 1.00 0.00 H ATOM 696 H LYS A 80 12.925 26.632 59.364 1.00 0.00 H ATOM 697 N THR A 81 13.992 24.708 61.884 1.00 29.81 N ATOM 698 CA THR A 81 14.475 24.277 63.184 1.00 28.45 C ATOM 699 C THR A 81 13.460 24.713 64.223 1.00 32.70 C ATOM 700 O THR A 81 13.007 25.857 64.210 1.00 33.69 O ATOM 701 CB THR A 81 15.850 24.881 63.536 1.00 32.73 C ATOM 702 OG1 THR A 81 16.770 24.642 62.468 1.00 33.91 O ATOM 703 CG2 THR A 81 16.392 24.260 64.816 1.00 37.88 C ATOM 704 HG1 THR A 81 16.866 23.667 62.329 1.00 0.00 H ATOM 705 H THR A 81 13.620 25.674 61.789 1.00 0.00 H ATOM 706 N ILE A 82 13.096 23.798 65.113 1.00 30.54 N ATOM 707 CA ILE A 82 12.224 24.138 66.225 1.00 27.44 C ATOM 708 C ILE A 82 13.017 24.938 67.255 1.00 30.24 C ATOM 709 O ILE A 82 14.045 24.481 67.754 1.00 31.93 O ATOM 710 CB ILE A 82 11.622 22.877 66.872 1.00 27.78 C ATOM 711 CG1 ILE A 82 10.739 22.139 65.856 1.00 30.43 C ATOM 712 CG2 ILE A 82 10.826 23.247 68.114 1.00 26.98 C ATOM 713 CD1 ILE A 82 10.269 20.780 66.317 1.00 22.13 C ATOM 714 H ILE A 82 13.440 22.822 65.013 1.00 0.00 H ATOM 715 N VAL A 83 12.548 26.146 67.551 1.00 33.17 N ATOM 716 CA VAL A 83 13.219 27.008 68.517 1.00 30.92 C ATOM 717 C VAL A 83 12.263 27.389 69.635 1.00 33.06 C ATOM 718 O VAL A 83 11.309 28.140 69.423 1.00 36.89 O ATOM 719 CB VAL A 83 13.774 28.286 67.858 1.00 34.56 C ATOM 720 CG1 VAL A 83 14.395 29.212 68.911 1.00 35.08 C ATOM 721 CG2 VAL A 83 14.796 27.931 66.786 1.00 36.05 C ATOM 722 H VAL A 83 11.683 26.484 67.083 1.00 0.00 H ATOM 723 N CYS A 84 12.521 26.862 70.826 1.00 31.10 N ATOM 724 CA CYS A 84 11.661 27.111 71.973 1.00 31.30 C ATOM 725 C CYS A 84 11.777 28.548 72.466 1.00 35.53 C ATOM 726 O CYS A 84 12.874 29.071 72.653 1.00 35.18 O ATOM 727 CB CYS A 84 11.989 26.133 73.105 1.00 31.03 C ATOM 728 SG CYS A 84 11.539 24.413 72.740 1.00 37.49 S ATOM 729 H CYS A 84 13.358 26.256 70.942 1.00 0.00 H ATOM 730 N GLY A 85 10.631 29.186 72.665 1.00 36.63 N ATOM 731 CA GLY A 85 10.596 30.524 73.220 1.00 35.87 C ATOM 732 C GLY A 85 11.005 30.506 74.679 1.00 39.01 C ATOM 733 O GLY A 85 11.096 29.442 75.291 1.00 39.53 O ATOM 734 H GLY A 85 9.737 28.715 72.417 1.00 0.00 H ATOM 735 N GLU A 86 11.256 31.685 75.238 1.00 46.97 N ATOM 736 CA GLU A 86 11.698 31.793 76.623 1.00 49.30 C ATOM 737 C GLU A 86 10.673 31.187 77.581 1.00 50.80 C ATOM 738 O GLU A 86 11.006 30.296 78.367 1.00 53.16 O ATOM 739 CB GLU A 86 11.968 33.256 76.987 1.00 44.91 C ATOM 740 H GLU A 86 11.134 32.551 74.675 1.00 0.00 H ATOM 741 N ASN A 87 9.429 31.658 77.487 1.00 45.90 N ATOM 742 CA ASN A 87 8.354 31.236 78.384 1.00 46.36 C ATOM 743 C ASN A 87 8.770 31.327 79.852 1.00 49.36 C ATOM 744 O ASN A 87 9.484 32.249 80.244 1.00 56.78 O ATOM 745 CB ASN A 87 7.903 29.809 78.057 1.00 42.09 C ATOM 746 CG ASN A 87 7.295 29.688 76.671 1.00 42.11 C ATOM 747 OD1 ASN A 87 6.111 29.978 76.473 1.00 41.48 O ATOM 748 ND2 ASN A 87 8.094 29.233 75.708 1.00 33.32 N ATOM 749 HD22 ASN A 87 9.085 29.001 75.921 1.00 0.00 H ATOM 750 HD21 ASN A 87 7.727 29.109 74.743 1.00 0.00 H ATOM 751 H ASN A 87 9.214 32.354 76.745 1.00 0.00 H ATOM 752 N ASN A 88 8.316 30.374 80.659 1.00 44.26 N ATOM 753 CA ASN A 88 8.840 30.215 82.010 1.00 42.16 C ATOM 754 C ASN A 88 9.632 28.902 82.051 1.00 40.65 C ATOM 755 O ASN A 88 9.518 28.099 81.125 1.00 38.29 O ATOM 756 CB ASN A 88 7.706 30.271 83.055 1.00 43.63 C ATOM 757 CG ASN A 88 6.652 29.194 82.859 1.00 39.96 C ATOM 758 OD1 ASN A 88 6.964 28.017 82.695 1.00 40.44 O ATOM 759 ND2 ASN A 88 5.388 29.601 82.894 1.00 37.75 N ATOM 760 HD22 ASN A 88 5.170 30.608 83.035 1.00 0.00 H ATOM 761 HD21 ASN A 88 4.617 28.913 82.780 1.00 0.00 H ATOM 762 H ASN A 88 7.573 29.730 80.321 1.00 0.00 H ATOM 763 N PRO A 90 10.467 28.697 83.088 1.00 40.33 N ATOM 764 CA PRO A 90 11.321 27.500 83.143 1.00 41.12 C ATOM 765 C PRO A 90 10.611 26.175 82.842 1.00 42.62 C ATOM 766 O PRO A 90 11.116 25.391 82.036 1.00 45.22 O ATOM 767 CB PRO A 90 11.832 27.520 84.583 1.00 37.70 C ATOM 768 CG PRO A 90 11.944 28.963 84.891 1.00 38.73 C ATOM 769 CD PRO A 90 10.784 29.631 84.186 1.00 43.17 C ATOM 770 N CYS A 91 9.458 25.936 83.457 1.00 38.67 N ATOM 771 CA CYS A 91 8.756 24.672 83.254 1.00 37.77 C ATOM 772 C CYS A 91 8.263 24.527 81.818 1.00 32.35 C ATOM 773 O CYS A 91 8.443 23.480 81.196 1.00 31.28 O ATOM 774 CB CYS A 91 7.581 24.540 84.221 1.00 40.90 C ATOM 775 SG CYS A 91 6.759 22.935 84.132 1.00 48.36 S ATOM 776 H CYS A 91 9.052 26.656 84.089 1.00 0.00 H ATOM 777 N LEU A 92 7.646 25.580 81.291 1.00 31.91 N ATOM 778 CA LEU A 92 7.155 25.557 79.917 1.00 37.19 C ATOM 779 C LEU A 92 8.299 25.374 78.916 1.00 32.28 C ATOM 780 O LEU A 92 8.132 24.713 77.893 1.00 30.89 O ATOM 781 CB LEU A 92 6.376 26.837 79.598 1.00 30.60 C ATOM 782 CG LEU A 92 5.009 27.028 80.264 1.00 39.39 C ATOM 783 CD1 LEU A 92 4.330 28.296 79.752 1.00 32.49 C ATOM 784 CD2 LEU A 92 4.113 25.817 80.049 1.00 32.18 C ATOM 785 H LEU A 92 7.511 26.435 81.868 1.00 0.00 H ATOM 786 N LYS A 93 9.461 25.951 79.207 1.00 31.66 N ATOM 787 CA LYS A 93 10.605 25.787 78.315 1.00 33.86 C ATOM 788 C LYS A 93 11.108 24.346 78.332 1.00 30.85 C ATOM 789 O LYS A 93 11.413 23.787 77.280 1.00 27.53 O ATOM 790 CB LYS A 93 11.747 26.739 78.680 1.00 40.06 C ATOM 791 CG LYS A 93 12.967 26.577 77.771 1.00 40.85 C ATOM 792 CD LYS A 93 13.783 27.853 77.672 1.00 42.44 C ATOM 793 CE LYS A 93 14.425 27.978 76.297 1.00 44.58 C ATOM 794 NZ LYS A 93 15.247 26.786 75.944 1.00 48.57 N ATOM 795 HZ1 LYS A 93 16.007 26.670 76.645 1.00 0.00 H ATOM 796 HZ2 LYS A 93 14.644 25.939 75.942 1.00 0.00 H ATOM 797 HZ3 LYS A 93 15.662 26.920 75.000 1.00 0.00 H ATOM 798 H LYS A 93 9.555 26.520 80.072 1.00 0.00 H ATOM 799 N GLU A 94 11.198 23.754 79.521 1.00 28.97 N ATOM 800 CA GLU A 94 11.565 22.345 79.649 1.00 30.41 C ATOM 801 C GLU A 94 10.583 21.492 78.864 1.00 32.15 C ATOM 802 O GLU A 94 10.972 20.603 78.106 1.00 28.63 O ATOM 803 CB GLU A 94 11.570 21.901 81.113 1.00 38.15 C ATOM 804 CG GLU A 94 12.729 22.400 81.943 1.00 51.76 C ATOM 805 CD GLU A 94 12.797 21.708 83.292 1.00 58.03 C ATOM 806 OE1 GLU A 94 12.627 20.469 83.339 1.00 54.52 O ATOM 807 OE2 GLU A 94 13.012 22.403 84.306 1.00 62.71 O ATOM 808 H GLU A 94 11.002 24.307 80.380 1.00 0.00 H ATOM 809 N LEU A 95 9.299 21.777 79.063 1.00 31.63 N ATOM 810 CA LEU A 95 8.232 21.097 78.348 1.00 27.45 C ATOM 811 C LEU A 95 8.425 21.244 76.841 1.00 30.73 C ATOM 812 O LEU A 95 8.320 20.271 76.093 1.00 26.25 O ATOM 813 CB LEU A 95 6.872 21.657 78.760 1.00 38.05 C ATOM 814 CG LEU A 95 5.655 21.171 77.974 1.00 28.18 C ATOM 815 CD1 LEU A 95 5.522 19.658 78.055 1.00 28.40 C ATOM 816 CD2 LEU A 95 4.391 21.851 78.474 1.00 32.47 C ATOM 817 H LEU A 95 9.050 22.513 79.755 1.00 0.00 H ATOM 818 N CYS A 96 8.714 22.465 76.399 1.00 29.45 N ATOM 819 CA CYS A 96 8.906 22.724 74.976 1.00 31.00 C ATOM 820 C CYS A 96 10.082 21.880 74.445 1.00 31.81 C ATOM 821 O CYS A 96 9.987 21.261 73.376 1.00 31.59 O ATOM 822 CB CYS A 96 9.152 24.210 74.713 1.00 28.04 C ATOM 823 SG CYS A 96 9.519 24.623 72.983 1.00 35.66 S ATOM 824 H CYS A 96 8.804 23.247 77.078 1.00 0.00 H ATOM 825 N GLU A 97 11.172 21.817 75.211 1.00 24.61 N ATOM 826 CA GLU A 97 12.337 21.025 74.823 1.00 24.04 C ATOM 827 C GLU A 97 12.025 19.530 74.799 1.00 28.73 C ATOM 828 O GLU A 97 12.569 18.806 73.969 1.00 30.27 O ATOM 829 CB GLU A 97 13.507 21.302 75.767 1.00 30.42 C ATOM 830 CG GLU A 97 14.059 22.724 75.686 1.00 33.11 C ATOM 831 CD GLU A 97 14.654 23.048 74.321 1.00 39.18 C ATOM 832 OE1 GLU A 97 15.230 22.140 73.682 1.00 39.30 O ATOM 833 OE2 GLU A 97 14.551 24.217 73.888 1.00 40.30 O ATOM 834 H GLU A 97 11.193 22.345 76.107 1.00 0.00 H ATOM 835 N CYS A 98 11.162 19.071 75.707 1.00 30.95 N ATOM 836 CA CYS A 98 10.695 17.682 75.676 1.00 29.45 C ATOM 837 C CYS A 98 10.009 17.367 74.360 1.00 23.29 C ATOM 838 O CYS A 98 10.255 16.326 73.761 1.00 22.89 O ATOM 839 CB CYS A 98 9.737 17.384 76.827 1.00 25.64 C ATOM 840 SG CYS A 98 10.522 17.218 78.442 1.00 30.82 S ATOM 841 H CYS A 98 10.814 19.710 76.450 1.00 0.00 H ATOM 842 N ASP A 99 9.148 18.277 73.916 1.00 26.74 N ATOM 843 CA ASP A 99 8.364 18.056 72.712 1.00 30.02 C ATOM 844 C ASP A 99 9.214 18.194 71.455 1.00 28.97 C ATOM 845 O ASP A 99 9.035 17.437 70.494 1.00 22.66 O ATOM 846 CB ASP A 99 7.174 19.024 72.661 1.00 30.97 C ATOM 847 CG ASP A 99 6.134 18.732 73.736 1.00 28.78 C ATOM 848 OD1 ASP A 99 6.171 17.633 74.323 1.00 29.62 O ATOM 849 OD2 ASP A 99 5.268 19.595 73.988 1.00 27.50 O ATOM 850 H ASP A 99 9.033 19.167 74.442 1.00 0.00 H ATOM 851 N LYS A 100 10.124 19.167 71.453 1.00 25.09 N ATOM 852 CA LYS A 100 11.060 19.314 70.349 1.00 21.53 C ATOM 853 C LYS A 100 11.867 18.032 70.188 1.00 21.30 C ATOM 854 O LYS A 100 12.050 17.535 69.076 1.00 21.43 O ATOM 855 CB LYS A 100 11.998 20.503 70.573 1.00 28.84 C ATOM 856 CG LYS A 100 13.176 20.538 69.601 1.00 31.78 C ATOM 857 CD LYS A 100 14.090 21.728 69.844 1.00 29.62 C ATOM 858 CE LYS A 100 15.264 21.714 68.874 1.00 23.61 C ATOM 859 NZ LYS A 100 16.101 22.949 68.982 1.00 24.79 N ATOM 860 HZ1 LYS A 100 15.516 23.782 68.770 1.00 0.00 H ATOM 861 HZ2 LYS A 100 16.480 23.026 69.947 1.00 0.00 H ATOM 862 HZ3 LYS A 100 16.887 22.894 68.303 1.00 0.00 H ATOM 863 H LYS A 100 10.166 19.831 72.252 1.00 0.00 H ATOM 864 N ALA A 101 12.337 17.498 71.309 1.00 21.61 N ATOM 865 CA ALA A 101 13.153 16.290 71.297 1.00 27.68 C ATOM 866 C ALA A 101 12.403 15.104 70.688 1.00 26.98 C ATOM 867 O ALA A 101 12.970 14.365 69.880 1.00 25.84 O ATOM 868 CB ALA A 101 13.623 15.956 72.702 1.00 29.44 C ATOM 869 H ALA A 101 12.118 17.953 72.218 1.00 0.00 H ATOM 870 N VAL A 102 11.132 14.919 71.051 1.00 23.47 N ATOM 871 CA VAL A 102 10.411 13.755 70.542 1.00 21.38 C ATOM 872 C VAL A 102 10.095 13.944 69.054 1.00 22.58 C ATOM 873 O VAL A 102 10.182 12.991 68.280 1.00 21.75 O ATOM 874 CB VAL A 102 9.108 13.444 71.357 1.00 26.15 C ATOM 875 CG1 VAL A 102 8.062 14.526 71.198 1.00 22.19 C ATOM 876 CG2 VAL A 102 8.537 12.096 70.954 1.00 27.62 C ATOM 877 H VAL A 102 10.662 15.594 71.687 1.00 0.00 H ATOM 878 N ALA A 103 9.768 15.170 68.649 1.00 22.70 N ATOM 879 CA ALA A 103 9.479 15.456 67.244 1.00 22.83 C ATOM 880 C ALA A 103 10.669 15.110 66.343 1.00 24.70 C ATOM 881 O ALA A 103 10.512 14.424 65.330 1.00 25.13 O ATOM 882 CB ALA A 103 9.091 16.917 67.068 1.00 21.75 C ATOM 883 H ALA A 103 9.717 15.940 69.346 1.00 0.00 H ATOM 884 N ILE A 104 11.852 15.594 66.713 1.00 23.71 N ATOM 885 CA ILE A 104 13.077 15.283 65.975 1.00 21.70 C ATOM 886 C ILE A 104 13.313 13.777 65.906 1.00 22.76 C ATOM 887 O ILE A 104 13.617 13.235 64.847 1.00 22.89 O ATOM 888 CB ILE A 104 14.315 15.952 66.618 1.00 22.10 C ATOM 889 CG1 ILE A 104 14.227 17.474 66.501 1.00 25.16 C ATOM 890 CG2 ILE A 104 15.617 15.425 65.991 1.00 22.17 C ATOM 891 CD1 ILE A 104 15.399 18.201 67.148 1.00 28.72 C ATOM 892 H ILE A 104 11.908 16.210 67.549 1.00 0.00 H ATOM 893 N CYS A 105 13.172 13.117 67.051 1.00 20.93 N ATOM 894 CA CYS A 105 13.385 11.682 67.164 1.00 26.66 C ATOM 895 C CYS A 105 12.412 10.878 66.302 1.00 32.60 C ATOM 896 O CYS A 105 12.787 9.865 65.711 1.00 34.16 O ATOM 897 CB CYS A 105 13.260 11.262 68.627 1.00 31.96 C ATOM 898 SG CYS A 105 13.702 9.557 68.967 1.00 27.96 S ATOM 899 H CYS A 105 12.898 13.648 67.902 1.00 0.00 H ATOM 900 N LEU A 106 11.159 11.325 66.245 1.00 31.99 N ATOM 901 CA LEU A 106 10.151 10.649 65.440 1.00 30.38 C ATOM 902 C LEU A 106 10.523 10.750 63.967 1.00 26.18 C ATOM 903 O LEU A 106 10.411 9.779 63.219 1.00 25.47 O ATOM 904 CB LEU A 106 8.756 11.242 65.690 1.00 27.69 C ATOM 905 CG LEU A 106 8.124 10.938 67.053 1.00 25.09 C ATOM 906 CD1 LEU A 106 6.770 11.627 67.207 1.00 24.33 C ATOM 907 CD2 LEU A 106 7.992 9.441 67.268 1.00 25.67 C ATOM 908 H LEU A 106 10.895 12.173 66.786 1.00 0.00 H ATOM 909 N ARG A 107 10.986 11.926 63.561 1.00 27.43 N ATOM 910 CA ARG A 107 11.405 12.138 62.181 1.00 25.74 C ATOM 911 C ARG A 107 12.660 11.325 61.865 1.00 24.56 C ATOM 912 O ARG A 107 12.793 10.772 60.772 1.00 23.82 O ATOM 913 CB ARG A 107 11.646 13.623 61.920 1.00 22.92 C ATOM 914 CG ARG A 107 11.956 13.974 60.468 1.00 27.41 C ATOM 915 CD ARG A 107 13.422 14.266 60.291 1.00 28.49 C ATOM 916 NE ARG A 107 13.860 15.283 61.238 1.00 33.32 N ATOM 917 CZ ARG A 107 15.120 15.461 61.618 1.00 36.58 C ATOM 918 NH1 ARG A 107 16.082 14.682 61.134 1.00 36.26 N ATOM 919 NH2 ARG A 107 15.414 16.414 62.492 1.00 24.12 N ATOM 920 HE ARG A 107 13.138 15.912 61.644 1.00 0.00 H ATOM 921 HH12 ARG A 107 17.067 14.825 61.434 1.00 0.00 H ATOM 922 HH11 ARG A 107 15.849 13.929 60.455 1.00 0.00 H ATOM 923 HH22 ARG A 107 16.399 16.558 62.793 1.00 0.00 H ATOM 924 HH21 ARG A 107 14.659 17.018 62.876 1.00 0.00 H ATOM 925 H ARG A 107 11.051 12.711 64.240 1.00 0.00 H ATOM 926 N GLU A 108 13.570 11.247 62.828 1.00 25.54 N ATOM 927 CA GLU A 108 14.816 10.504 62.645 1.00 24.40 C ATOM 928 C GLU A 108 14.568 9.018 62.404 1.00 22.87 C ATOM 929 O GLU A 108 15.362 8.349 61.743 1.00 28.66 O ATOM 930 CB GLU A 108 15.738 10.697 63.857 1.00 22.56 C ATOM 931 CG GLU A 108 16.526 12.005 63.814 1.00 23.01 C ATOM 932 CD GLU A 108 17.231 12.326 65.123 1.00 29.09 C ATOM 933 OE1 GLU A 108 16.938 11.669 66.146 1.00 31.88 O ATOM 934 OE2 GLU A 108 18.073 13.250 65.131 1.00 31.66 O ATOM 935 H GLU A 108 13.393 11.726 63.734 1.00 0.00 H ATOM 936 N ASN A 109 13.458 8.506 62.927 1.00 22.44 N ATOM 937 CA ASN A 109 13.195 7.071 62.866 1.00 24.62 C ATOM 938 C ASN A 109 12.021 6.696 61.965 1.00 28.80 C ATOM 939 O ASN A 109 11.423 5.631 62.123 1.00 29.23 O ATOM 940 CB ASN A 109 12.965 6.535 64.277 1.00 25.14 C ATOM 941 CG ASN A 109 14.209 6.624 65.140 1.00 25.72 C ATOM 942 OD1 ASN A 109 15.068 5.746 65.095 1.00 26.67 O ATOM 943 ND2 ASN A 109 14.315 7.691 65.926 1.00 25.02 N ATOM 944 HD22 ASN A 109 13.563 8.409 65.932 1.00 0.00 H ATOM 945 HD21 ASN A 109 15.150 7.807 66.535 1.00 0.00 H ATOM 946 H ASN A 109 12.768 9.135 63.385 1.00 0.00 H ATOM 947 N LEU A 110 11.705 7.573 61.016 1.00 31.57 N ATOM 948 CA LEU A 110 10.677 7.301 60.017 1.00 29.67 C ATOM 949 C LEU A 110 11.004 6.055 59.214 1.00 30.21 C ATOM 950 O LEU A 110 10.105 5.327 58.789 1.00 26.24 O ATOM 951 CB LEU A 110 10.510 8.492 59.074 1.00 28.24 C ATOM 952 CG LEU A 110 9.630 9.624 59.595 1.00 25.02 C ATOM 953 CD1 LEU A 110 9.824 10.855 58.740 1.00 25.88 C ATOM 954 CD2 LEU A 110 8.174 9.187 59.591 1.00 25.71 C ATOM 955 H LEU A 110 12.208 8.483 60.985 1.00 0.00 H ATOM 956 N GLY A 111 12.296 5.814 59.020 1.00 25.47 N ATOM 957 CA GLY A 111 12.759 4.690 58.229 1.00 26.45 C ATOM 958 C GLY A 111 12.283 3.341 58.731 1.00 26.47 C ATOM 959 O GLY A 111 12.135 2.403 57.950 1.00 35.71 O ATOM 960 H GLY A 111 12.997 6.451 59.449 1.00 0.00 H ATOM 961 N THR A 112 12.049 3.236 60.033 1.00 25.59 N ATOM 962 CA THR A 112 11.559 1.992 60.609 1.00 29.44 C ATOM 963 C THR A 112 10.153 2.148 61.194 1.00 33.13 C ATOM 964 O THR A 112 9.732 1.339 62.018 1.00 32.69 O ATOM 965 CB THR A 112 12.501 1.457 61.712 1.00 26.81 C ATOM 966 OG1 THR A 112 12.610 2.425 62.765 1.00 25.73 O ATOM 967 CG2 THR A 112 13.889 1.147 61.141 1.00 28.93 C ATOM 968 HG1 THR A 112 12.977 3.269 62.399 1.00 0.00 H ATOM 969 H THR A 112 12.218 4.055 60.651 1.00 0.00 H ATOM 970 N TYR A 113 9.434 3.185 60.773 1.00 25.89 N ATOM 971 CA TYR A 113 8.040 3.340 61.174 1.00 26.33 C ATOM 972 C TYR A 113 7.235 2.143 60.665 1.00 29.10 C ATOM 973 O TYR A 113 7.248 1.840 59.470 1.00 29.86 O ATOM 974 CB TYR A 113 7.453 4.652 60.642 1.00 26.42 C ATOM 975 CG TYR A 113 6.038 4.921 61.110 1.00 29.80 C ATOM 976 CD1 TYR A 113 4.943 4.344 60.466 1.00 28.82 C ATOM 977 CD2 TYR A 113 5.795 5.746 62.196 1.00 26.98 C ATOM 978 CE1 TYR A 113 3.640 4.580 60.900 1.00 29.87 C ATOM 979 CE2 TYR A 113 4.490 5.998 62.633 1.00 27.34 C ATOM 980 CZ TYR A 113 3.421 5.407 61.984 1.00 31.94 C ATOM 981 OH TYR A 113 2.134 5.651 62.421 1.00 35.01 O ATOM 982 HH TYR A 113 2.043 5.351 63.360 1.00 0.00 H ATOM 983 H TYR A 113 9.871 3.894 60.150 1.00 0.00 H ATOM 984 N ASN A 114 6.540 1.469 61.579 1.00 28.35 N ATOM 985 CA ASN A 114 5.746 0.288 61.247 1.00 33.63 C ATOM 986 C ASN A 114 4.260 0.527 61.508 1.00 37.13 C ATOM 987 O ASN A 114 3.849 0.715 62.657 1.00 33.78 O ATOM 988 CB ASN A 114 6.235 -0.920 62.050 1.00 32.32 C ATOM 989 CG ASN A 114 5.719 -2.234 61.506 1.00 43.59 C ATOM 990 OD1 ASN A 114 4.690 -2.283 60.831 1.00 49.15 O ATOM 991 ND2 ASN A 114 6.431 -3.316 61.805 1.00 44.50 N ATOM 992 HD22 ASN A 114 7.294 -3.228 62.378 1.00 0.00 H ATOM 993 HD21 ASN A 114 6.125 -4.250 61.466 1.00 0.00 H ATOM 994 H ASN A 114 6.563 1.795 62.566 1.00 0.00 H ATOM 995 N LYS A 115 3.465 0.510 60.439 1.00 32.79 N ATOM 996 CA LYS A 115 2.034 0.791 60.514 1.00 34.47 C ATOM 997 C LYS A 115 1.278 -0.192 61.393 1.00 40.90 C ATOM 998 O LYS A 115 0.180 0.113 61.858 1.00 37.28 O ATOM 999 CB LYS A 115 1.410 0.778 59.119 1.00 39.67 C ATOM 1000 CG LYS A 115 1.905 1.866 58.191 1.00 40.98 C ATOM 1001 CD LYS A 115 1.404 1.633 56.776 1.00 45.40 C ATOM 1002 CE LYS A 115 -0.107 1.751 56.700 1.00 51.47 C ATOM 1003 NZ LYS A 115 -0.551 2.239 55.364 1.00 57.60 N ATOM 1004 HZ1 LYS A 115 -0.138 3.176 55.184 1.00 0.00 H ATOM 1005 HZ2 LYS A 115 -0.235 1.573 54.630 1.00 0.00 H ATOM 1006 HZ3 LYS A 115 -1.589 2.307 55.349 1.00 0.00 H ATOM 1007 H LYS A 115 3.881 0.287 59.512 1.00 0.00 H ATOM 1008 N LYS A 116 1.853 -1.374 61.604 1.00 37.06 N ATOM 1009 CA LYS A 116 1.208 -2.399 62.423 1.00 45.75 C ATOM 1010 C LYS A 116 1.065 -1.917 63.862 1.00 40.24 C ATOM 1011 O LYS A 116 0.197 -2.374 64.600 1.00 39.30 O ATOM 1012 CB LYS A 116 2.000 -3.710 62.381 1.00 48.73 C ATOM 1013 H LYS A 116 2.780 -1.572 61.177 1.00 0.00 H ATOM 1014 N TYR A 117 1.925 -0.981 64.245 1.00 35.12 N ATOM 1015 CA TYR A 117 1.932 -0.429 65.592 1.00 34.69 C ATOM 1016 C TYR A 117 1.098 0.844 65.705 1.00 34.72 C ATOM 1017 O TYR A 117 0.876 1.345 66.810 1.00 34.82 O ATOM 1018 CB TYR A 117 3.371 -0.138 66.030 1.00 37.87 C ATOM 1019 CG TYR A 117 4.257 -1.362 66.097 1.00 39.79 C ATOM 1020 CD1 TYR A 117 3.730 -2.608 66.415 1.00 44.11 C ATOM 1021 CD2 TYR A 117 5.620 -1.272 65.838 1.00 39.48 C ATOM 1022 CE1 TYR A 117 4.535 -3.727 66.477 1.00 46.03 C ATOM 1023 CE2 TYR A 117 6.435 -2.389 65.897 1.00 40.47 C ATOM 1024 CZ TYR A 117 5.886 -3.612 66.218 1.00 45.39 C ATOM 1025 OH TYR A 117 6.691 -4.725 66.281 1.00 49.23 O ATOM 1026 HH TYR A 117 6.143 -5.514 66.522 1.00 0.00 H ATOM 1027 H TYR A 117 2.620 -0.629 63.556 1.00 0.00 H ATOM 1028 N ARG A 118 0.636 1.364 64.571 1.00 31.79 N ATOM 1029 CA ARG A 118 -0.029 2.670 64.545 1.00 40.25 C ATOM 1030 C ARG A 118 -1.211 2.772 65.507 1.00 35.43 C ATOM 1031 O ARG A 118 -1.344 3.764 66.228 1.00 34.73 O ATOM 1032 CB ARG A 118 -0.502 3.013 63.132 1.00 35.61 C ATOM 1033 CG ARG A 118 -1.290 4.315 63.068 1.00 31.91 C ATOM 1034 CD ARG A 118 -1.596 4.722 61.639 1.00 33.74 C ATOM 1035 NE ARG A 118 -0.389 5.053 60.891 1.00 32.58 N ATOM 1036 CZ ARG A 118 -0.387 5.463 59.626 1.00 35.74 C ATOM 1037 NH1 ARG A 118 -1.532 5.590 58.971 1.00 34.68 N ATOM 1038 NH2 ARG A 118 0.755 5.741 59.015 1.00 33.21 N ATOM 1039 HE ARG A 118 0.526 4.963 61.376 1.00 0.00 H ATOM 1040 HH12 ARG A 118 -1.532 5.911 57.982 1.00 0.00 H ATOM 1041 HH11 ARG A 118 -2.430 5.369 59.446 1.00 0.00 H ATOM 1042 HH22 ARG A 118 0.751 6.061 58.026 1.00 0.00 H ATOM 1043 HH21 ARG A 118 1.656 5.639 59.525 1.00 0.00 H ATOM 1044 H ARG A 118 0.749 0.833 63.684 1.00 0.00 H ATOM 1045 N TYR A 119 -2.060 1.748 65.522 1.00 37.24 N ATOM 1046 CA TYR A 119 -3.211 1.732 66.418 1.00 33.68 C ATOM 1047 C TYR A 119 -3.078 0.625 67.453 1.00 40.19 C ATOM 1048 O TYR A 119 -4.014 -0.146 67.679 1.00 41.59 O ATOM 1049 CB TYR A 119 -4.504 1.557 65.623 1.00 36.68 C ATOM 1050 CG TYR A 119 -4.689 2.587 64.536 1.00 39.30 C ATOM 1051 CD1 TYR A 119 -4.972 3.911 64.848 1.00 38.85 C ATOM 1052 CD2 TYR A 119 -4.576 2.238 63.198 1.00 35.46 C ATOM 1053 CE1 TYR A 119 -5.139 4.858 63.854 1.00 36.59 C ATOM 1054 CE2 TYR A 119 -4.740 3.176 62.199 1.00 36.24 C ATOM 1055 CZ TYR A 119 -5.019 4.485 62.531 1.00 39.69 C ATOM 1056 OH TYR A 119 -5.180 5.420 61.533 1.00 36.18 O ATOM 1057 HH TYR A 119 -4.349 5.476 60.998 1.00 0.00 H ATOM 1058 H TYR A 119 -1.900 0.943 64.883 1.00 0.00 H ATOM 1059 N HIS A 120 -1.908 0.558 68.078 1.00 38.53 N ATOM 1060 CA HIS A 120 -1.578 -0.519 69.003 1.00 39.02 C ATOM 1061 C HIS A 120 -2.561 -0.624 70.165 1.00 37.22 C ATOM 1062 O HIS A 120 -2.970 0.383 70.743 1.00 36.55 O ATOM 1063 CB HIS A 120 -0.161 -0.326 69.546 1.00 41.43 C ATOM 1064 CG HIS A 120 0.443 -1.575 70.111 1.00 38.72 C ATOM 1065 ND1 HIS A 120 0.924 -2.590 69.314 1.00 40.94 N ATOM 1066 CD2 HIS A 120 0.632 -1.974 71.390 1.00 36.06 C ATOM 1067 CE1 HIS A 120 1.396 -3.560 70.080 1.00 45.77 C ATOM 1068 NE2 HIS A 120 1.230 -3.212 71.343 1.00 44.53 N ATOM 1069 H HIS A 120 -1.202 1.301 67.901 1.00 0.00 H ATOM 1070 N LEU A 121 -2.940 -1.852 70.500 1.00 33.64 N ATOM 1071 CA LEU A 121 -3.776 -2.086 71.667 1.00 37.70 C ATOM 1072 C LEU A 121 -2.919 -1.993 72.916 1.00 35.24 C ATOM 1073 O LEU A 121 -2.324 -2.977 73.346 1.00 39.35 O ATOM 1074 CB LEU A 121 -4.464 -3.447 71.585 1.00 40.16 C ATOM 1075 CG LEU A 121 -5.525 -3.586 70.494 1.00 45.29 C ATOM 1076 CD1 LEU A 121 -6.272 -4.899 70.649 1.00 42.62 C ATOM 1077 CD2 LEU A 121 -6.491 -2.409 70.531 1.00 45.46 C ATOM 1078 H LEU A 121 -2.634 -2.659 69.919 1.00 0.00 H ATOM 1079 N LYS A 122 -2.869 -0.801 73.498 1.00 35.97 N ATOM 1080 CA LYS A 122 -1.956 -0.518 74.606 1.00 36.99 C ATOM 1081 C LYS A 122 -2.210 -1.272 75.926 1.00 38.46 C ATOM 1082 O LYS A 122 -1.249 -1.547 76.641 1.00 39.68 O ATOM 1083 CB LYS A 122 -1.942 0.989 74.872 1.00 34.18 C ATOM 1084 CG LYS A 122 -1.366 1.794 73.712 1.00 30.80 C ATOM 1085 CD LYS A 122 -1.487 3.292 73.952 1.00 39.19 C ATOM 1086 CE LYS A 122 -0.944 4.116 72.778 1.00 36.99 C ATOM 1087 NZ LYS A 122 0.539 4.097 72.683 1.00 33.64 N ATOM 1088 HZ1 LYS A 122 0.946 4.489 73.556 1.00 0.00 H ATOM 1089 HZ2 LYS A 122 0.865 3.117 72.556 1.00 0.00 H ATOM 1090 HZ3 LYS A 122 0.840 4.672 71.870 1.00 0.00 H ATOM 1091 H LYS A 122 -3.497 -0.046 73.156 1.00 0.00 H ATOM 1092 N PRO A 123 -3.476 -1.619 76.262 1.00 38.57 N ATOM 1093 CA PRO A 123 -3.635 -2.334 77.540 1.00 36.40 C ATOM 1094 C PRO A 123 -2.885 -3.673 77.641 1.00 38.83 C ATOM 1095 O PRO A 123 -2.672 -4.169 78.751 1.00 34.75 O ATOM 1096 CB PRO A 123 -5.150 -2.561 77.619 1.00 36.55 C ATOM 1097 CG PRO A 123 -5.720 -1.421 76.881 1.00 34.92 C ATOM 1098 CD PRO A 123 -4.784 -1.200 75.723 1.00 34.22 C ATOM 1099 N PHE A 125 -2.482 -4.239 76.508 1.00 36.00 N ATOM 1100 CA PHE A 125 -1.777 -5.516 76.508 1.00 38.32 C ATOM 1101 C PHE A 125 -0.258 -5.353 76.431 1.00 47.49 C ATOM 1102 O PHE A 125 0.469 -6.325 76.218 1.00 57.76 O ATOM 1103 CB PHE A 125 -2.271 -6.384 75.354 1.00 40.78 C ATOM 1104 CG PHE A 125 -3.736 -6.692 75.424 1.00 41.30 C ATOM 1105 CD1 PHE A 125 -4.190 -7.801 76.119 1.00 46.35 C ATOM 1106 CD2 PHE A 125 -4.662 -5.867 74.804 1.00 39.68 C ATOM 1107 CE1 PHE A 125 -5.540 -8.087 76.191 1.00 45.21 C ATOM 1108 CE2 PHE A 125 -6.015 -6.145 74.873 1.00 42.10 C ATOM 1109 CZ PHE A 125 -6.454 -7.256 75.568 1.00 45.13 C ATOM 1110 H PHE A 125 -2.673 -3.762 75.604 1.00 0.00 H ATOM 1111 N CYS A 126 0.215 -4.122 76.606 1.00 42.20 N ATOM 1112 CA CYS A 126 1.647 -3.851 76.637 1.00 37.88 C ATOM 1113 C CYS A 126 2.283 -4.318 77.943 1.00 39.49 C ATOM 1114 O CYS A 126 1.649 -4.300 78.995 1.00 38.21 O ATOM 1115 CB CYS A 126 1.913 -2.356 76.439 1.00 35.51 C ATOM 1116 SG CYS A 126 1.597 -1.742 74.763 1.00 38.96 S ATOM 1117 H CYS A 126 -0.453 -3.334 76.724 1.00 0.00 H ATOM 1118 N LYS A 127 3.544 -4.732 77.872 1.00 41.02 N ATOM 1119 CA LYS A 127 4.293 -5.084 79.071 1.00 42.25 C ATOM 1120 C LYS A 127 4.703 -3.816 79.817 1.00 41.08 C ATOM 1121 O LYS A 127 4.943 -2.777 79.199 1.00 37.92 O ATOM 1122 CB LYS A 127 5.524 -5.921 78.717 1.00 41.26 C ATOM 1123 H LYS A 127 4.005 -4.806 76.943 1.00 0.00 H ATOM 1124 N LYS A 129 4.775 -3.909 81.143 1.00 41.35 N ATOM 1125 CA LYS A 129 5.115 -2.768 81.991 1.00 43.98 C ATOM 1126 C LYS A 129 6.507 -2.216 81.684 1.00 47.87 C ATOM 1127 O LYS A 129 7.454 -2.974 81.467 1.00 51.84 O ATOM 1128 CB LYS A 129 5.027 -3.160 83.470 1.00 48.64 C ATOM 1129 H LYS A 129 4.582 -4.827 81.592 1.00 0.00 H ATOM 1130 N ALA A 130 6.626 -0.893 81.672 1.00 43.11 N ATOM 1131 CA ALA A 130 7.892 -0.247 81.347 1.00 44.50 C ATOM 1132 C ALA A 130 8.845 -0.221 82.534 1.00 48.18 C ATOM 1133 O ALA A 130 8.427 -0.317 83.688 1.00 48.74 O ATOM 1134 CB ALA A 130 7.649 1.175 80.841 1.00 41.89 C ATOM 1135 H ALA A 130 5.798 -0.306 81.899 1.00 0.00 H ATOM 1136 N ASP A 131 10.133 -0.092 82.237 1.00 53.86 N ATOM 1137 CA ASP A 131 11.126 0.167 83.268 1.00 55.74 C ATOM 1138 C ASP A 131 10.871 1.540 83.874 1.00 52.77 C ATOM 1139 O ASP A 131 10.339 2.425 83.202 1.00 44.78 O ATOM 1140 CB ASP A 131 12.546 0.107 82.695 1.00 57.95 C ATOM 1141 CG ASP A 131 12.906 -1.262 82.167 1.00 63.21 C ATOM 1142 OD1 ASP A 131 12.274 -2.250 82.594 1.00 65.71 O ATOM 1143 OD2 ASP A 131 13.821 -1.347 81.321 1.00 65.03 O ATOM 1144 H ASP A 131 10.438 -0.178 81.246 1.00 0.00 H ATOM 1145 N PRO A 132 11.249 1.724 85.147 1.00 60.70 N ATOM 1146 CA PRO A 132 11.196 3.070 85.722 1.00 60.63 C ATOM 1147 C PRO A 132 12.119 3.999 84.949 1.00 60.94 C ATOM 1148 O PRO A 132 13.184 3.564 84.513 1.00 63.28 O ATOM 1149 CB PRO A 132 11.688 2.868 87.160 1.00 63.17 C ATOM 1150 CG PRO A 132 11.525 1.402 87.429 1.00 64.81 C ATOM 1151 CD PRO A 132 11.743 0.726 86.111 1.00 63.63 C ATOM 1152 N CYS A 133 11.709 5.250 84.769 1.00 63.59 N ATOM 1153 CA CYS A 133 12.515 6.214 84.031 1.00 59.21 C ATOM 1154 C CYS A 133 13.860 6.438 84.715 1.00 61.04 C ATOM 1155 O CYS A 133 13.978 6.317 85.935 1.00 68.14 O ATOM 1156 CB CYS A 133 11.765 7.538 83.886 1.00 56.18 C ATOM 1157 SG CYS A 133 10.308 7.447 82.823 1.00 46.21 S ATOM 1158 OXT CYS A 133 14.861 6.739 84.065 1.00 57.96 O ATOM 1159 H CYS A 133 10.794 5.547 85.163 1.00 0.00 H TER 1160 CYS A 133 ATOM 1161 N SER B 1 -13.156 -8.078 75.576 1.00 32.61 N ATOM 1162 CA SER B 1 -11.933 -7.282 75.523 1.00 31.63 C ATOM 1163 C SER B 1 -11.944 -6.391 74.293 1.00 33.07 C ATOM 1164 O SER B 1 -12.930 -6.349 73.559 1.00 36.27 O ATOM 1165 CB SER B 1 -10.694 -8.178 75.501 1.00 33.11 C ATOM 1166 OG SER B 1 -10.522 -8.775 74.228 1.00 32.19 O ATOM 1167 HG SER B 1 -11.316 -9.325 74.013 1.00 0.00 H ATOM 1168 HN3 SER B 1 -13.219 -8.671 74.724 1.00 0.00 H ATOM 1169 HN2 SER B 1 -13.979 -7.444 75.620 1.00 0.00 H ATOM 1170 HN1 SER B 1 -13.138 -8.684 76.421 1.00 0.00 H ATOM 1171 N LEU B 2 -10.838 -5.693 74.060 1.00 32.74 N ATOM 1172 CA LEU B 2 -10.728 -4.817 72.900 1.00 31.17 C ATOM 1173 C LEU B 2 -10.734 -5.609 71.595 1.00 25.25 C ATOM 1174 O LEU B 2 -11.119 -5.087 70.555 1.00 31.55 O ATOM 1175 CB LEU B 2 -9.461 -3.961 72.990 1.00 33.80 C ATOM 1176 CG LEU B 2 -9.407 -2.960 74.147 1.00 30.34 C ATOM 1177 CD1 LEU B 2 -8.106 -2.175 74.114 1.00 28.06 C ATOM 1178 CD2 LEU B 2 -10.593 -2.022 74.101 1.00 25.51 C ATOM 1179 H LEU B 2 -10.036 -5.773 74.717 1.00 0.00 H ATOM 1180 N PHE B 3 -10.313 -6.869 71.649 1.00 28.74 N ATOM 1181 CA PHE B 3 -10.275 -7.693 70.444 1.00 33.16 C ATOM 1182 C PHE B 3 -11.686 -7.979 69.937 1.00 38.43 C ATOM 1183 O PHE B 3 -11.984 -7.766 68.759 1.00 42.03 O ATOM 1184 CB PHE B 3 -9.520 -9.003 70.698 1.00 32.58 C ATOM 1185 CG PHE B 3 -8.043 -8.819 70.916 1.00 38.11 C ATOM 1186 CD1 PHE B 3 -7.181 -8.708 69.838 1.00 38.11 C ATOM 1187 CD2 PHE B 3 -7.519 -8.747 72.196 1.00 44.27 C ATOM 1188 CE1 PHE B 3 -5.825 -8.534 70.031 1.00 47.07 C ATOM 1189 CE2 PHE B 3 -6.155 -8.574 72.398 1.00 45.26 C ATOM 1190 CZ PHE B 3 -5.310 -8.468 71.314 1.00 47.77 C ATOM 1191 H PHE B 3 -10.008 -7.272 72.558 1.00 0.00 H ATOM 1192 N GLU B 4 -12.546 -8.461 70.831 1.00 26.23 N ATOM 1193 CA GLU B 4 -13.938 -8.742 70.495 1.00 28.20 C ATOM 1194 C GLU B 4 -14.696 -7.468 70.098 1.00 29.12 C ATOM 1195 O GLU B 4 -15.460 -7.465 69.131 1.00 27.16 O ATOM 1196 CB GLU B 4 -14.639 -9.424 71.672 1.00 30.52 C ATOM 1197 CG GLU B 4 -14.223 -10.871 71.926 1.00 34.28 C ATOM 1198 CD GLU B 4 -12.904 -10.998 72.675 1.00 40.71 C ATOM 1199 OE1 GLU B 4 -12.348 -9.965 73.102 1.00 38.40 O ATOM 1200 OE2 GLU B 4 -12.423 -12.139 72.841 1.00 44.84 O ATOM 1201 H GLU B 4 -12.215 -8.643 71.800 1.00 0.00 H ATOM 1202 N LEU B 5 -14.477 -6.391 70.847 1.00 29.85 N ATOM 1203 CA LEU B 5 -15.130 -5.113 70.570 1.00 30.45 C ATOM 1204 C LEU B 5 -14.774 -4.597 69.178 1.00 27.52 C ATOM 1205 O LEU B 5 -15.634 -4.104 68.449 1.00 25.28 O ATOM 1206 CB LEU B 5 -14.747 -4.075 71.629 1.00 31.53 C ATOM 1207 CG LEU B 5 -15.110 -2.608 71.371 1.00 27.13 C ATOM 1208 CD1 LEU B 5 -16.623 -2.416 71.205 1.00 19.35 C ATOM 1209 CD2 LEU B 5 -14.574 -1.727 72.494 1.00 20.96 C ATOM 1210 H LEU B 5 -13.823 -6.460 71.652 1.00 0.00 H ATOM 1211 N GLY B 6 -13.504 -4.721 68.811 1.00 22.85 N ATOM 1212 CA GLY B 6 -13.043 -4.256 67.516 1.00 26.47 C ATOM 1213 C GLY B 6 -13.584 -5.085 66.368 1.00 32.89 C ATOM 1214 O GLY B 6 -13.914 -4.552 65.303 1.00 34.38 O ATOM 1215 H GLY B 6 -12.826 -5.161 69.465 1.00 0.00 H ATOM 1216 N LYS B 7 -13.670 -6.395 66.574 1.00 29.11 N ATOM 1217 CA LYS B 7 -14.234 -7.276 65.559 1.00 28.13 C ATOM 1218 C LYS B 7 -15.723 -6.985 65.358 1.00 23.21 C ATOM 1219 O LYS B 7 -16.216 -6.988 64.230 1.00 26.86 O ATOM 1220 CB LYS B 7 -14.030 -8.741 65.938 1.00 33.37 C ATOM 1221 CG LYS B 7 -14.362 -9.719 64.821 1.00 42.49 C ATOM 1222 CD LYS B 7 -14.194 -11.166 65.267 1.00 47.95 C ATOM 1223 CE LYS B 7 -12.779 -11.665 65.051 1.00 58.60 C ATOM 1224 NZ LYS B 7 -11.768 -10.936 65.873 1.00 64.45 N ATOM 1225 HZ1 LYS B 7 -11.787 -9.926 65.628 1.00 0.00 H ATOM 1226 HZ2 LYS B 7 -11.993 -11.053 66.882 1.00 0.00 H ATOM 1227 HZ3 LYS B 7 -10.822 -11.323 65.680 1.00 0.00 H ATOM 1228 H LYS B 7 -13.330 -6.797 67.471 1.00 0.00 H ATOM 1229 N MET B 8 -16.434 -6.730 66.453 1.00 24.22 N ATOM 1230 CA MET B 8 -17.856 -6.382 66.377 1.00 24.56 C ATOM 1231 C MET B 8 -18.091 -5.117 65.556 1.00 25.04 C ATOM 1232 O MET B 8 -18.952 -5.082 64.676 1.00 23.98 O ATOM 1233 CB MET B 8 -18.450 -6.194 67.777 1.00 25.43 C ATOM 1234 CG MET B 8 -18.690 -7.480 68.548 1.00 25.80 C ATOM 1235 SD MET B 8 -19.617 -7.149 70.059 1.00 28.58 S ATOM 1236 CE MET B 8 -19.612 -8.773 70.825 1.00 23.44 C ATOM 1237 H MET B 8 -15.971 -6.779 67.383 1.00 0.00 H ATOM 1238 N ILE B 9 -17.319 -4.080 65.859 1.00 25.70 N ATOM 1239 CA ILE B 9 -17.421 -2.804 65.166 1.00 22.44 C ATOM 1240 C ILE B 9 -17.118 -2.965 63.683 1.00 24.41 C ATOM 1241 O ILE B 9 -17.795 -2.386 62.837 1.00 26.71 O ATOM 1242 CB ILE B 9 -16.468 -1.764 65.790 1.00 21.06 C ATOM 1243 CG1 ILE B 9 -16.911 -1.439 67.219 1.00 20.73 C ATOM 1244 CG2 ILE B 9 -16.417 -0.493 64.946 1.00 21.00 C ATOM 1245 CD1 ILE B 9 -15.960 -0.501 67.967 1.00 22.65 C ATOM 1246 H ILE B 9 -16.616 -4.183 66.619 1.00 0.00 H ATOM 1247 N LEU B 10 -16.100 -3.761 63.371 1.00 23.52 N ATOM 1248 CA LEU B 10 -15.741 -4.032 61.984 1.00 26.62 C ATOM 1249 C LEU B 10 -16.844 -4.797 61.252 1.00 28.49 C ATOM 1250 O LEU B 10 -17.188 -4.480 60.111 1.00 25.71 O ATOM 1251 CB LEU B 10 -14.430 -4.821 61.917 1.00 21.49 C ATOM 1252 CG LEU B 10 -14.010 -5.340 60.540 1.00 23.08 C ATOM 1253 CD1 LEU B 10 -13.931 -4.196 59.537 1.00 30.62 C ATOM 1254 CD2 LEU B 10 -12.658 -6.067 60.629 1.00 24.53 C ATOM 1255 H LEU B 10 -15.547 -4.201 64.134 1.00 0.00 H ATOM 1256 N GLN B 11 -17.382 -5.819 61.907 1.00 27.92 N ATOM 1257 CA GLN B 11 -18.439 -6.633 61.314 1.00 28.87 C ATOM 1258 C GLN B 11 -19.680 -5.794 61.018 1.00 24.59 C ATOM 1259 O GLN B 11 -20.265 -5.905 59.942 1.00 24.18 O ATOM 1260 CB GLN B 11 -18.778 -7.809 62.235 1.00 22.53 C ATOM 1261 CG GLN B 11 -17.724 -8.917 62.185 1.00 25.10 C ATOM 1262 CD GLN B 11 -17.815 -9.888 63.344 1.00 29.30 C ATOM 1263 OE1 GLN B 11 -18.318 -9.553 64.412 1.00 38.28 O ATOM 1264 NE2 GLN B 11 -17.319 -11.101 63.138 1.00 25.59 N ATOM 1265 HE22 GLN B 11 -16.902 -11.343 62.217 1.00 0.00 H ATOM 1266 HE21 GLN B 11 -17.348 -11.810 63.898 1.00 0.00 H ATOM 1267 H GLN B 11 -17.043 -6.045 62.864 1.00 0.00 H ATOM 1268 N GLU B 12 -20.051 -4.931 61.960 1.00 21.22 N ATOM 1269 CA GLU B 12 -21.239 -4.086 61.812 1.00 23.52 C ATOM 1270 C GLU B 12 -21.019 -2.935 60.837 1.00 29.14 C ATOM 1271 O GLU B 12 -21.768 -2.791 59.873 1.00 29.70 O ATOM 1272 CB GLU B 12 -21.670 -3.531 63.172 1.00 21.12 C ATOM 1273 CG GLU B 12 -22.377 -4.539 64.055 1.00 24.25 C ATOM 1274 CD GLU B 12 -23.819 -4.769 63.632 1.00 30.58 C ATOM 1275 OE1 GLU B 12 -24.456 -3.808 63.151 1.00 25.01 O ATOM 1276 OE2 GLU B 12 -24.312 -5.910 63.776 1.00 34.12 O ATOM 1277 H GLU B 12 -19.481 -4.854 62.827 1.00 0.00 H ATOM 1278 N THR B 13 -19.980 -2.133 61.082 1.00 31.15 N ATOM 1279 CA THR B 13 -19.734 -0.922 60.298 1.00 29.01 C ATOM 1280 C THR B 13 -19.023 -1.185 58.978 1.00 30.04 C ATOM 1281 O THR B 13 -19.251 -0.478 57.995 1.00 32.92 O ATOM 1282 CB THR B 13 -18.888 0.101 61.083 1.00 23.69 C ATOM 1283 OG1 THR B 13 -17.570 -0.425 61.294 1.00 24.90 O ATOM 1284 CG2 THR B 13 -19.528 0.406 62.423 1.00 21.40 C ATOM 1285 HG1 THR B 13 -17.631 -1.267 61.810 1.00 0.00 H ATOM 1286 H THR B 13 -19.326 -2.376 61.853 1.00 0.00 H ATOM 1287 N GLY B 15 -18.148 -2.185 58.959 1.00 29.24 N ATOM 1288 CA GLY B 15 -17.341 -2.452 57.782 1.00 30.97 C ATOM 1289 C GLY B 15 -16.106 -1.569 57.741 1.00 31.83 C ATOM 1290 O GLY B 15 -15.369 -1.555 56.758 1.00 31.97 O ATOM 1291 H GLY B 15 -18.040 -2.786 59.801 1.00 0.00 H ATOM 1292 N LYS B 16 -15.880 -0.828 58.822 1.00 36.30 N ATOM 1293 CA LYS B 16 -14.740 0.080 58.908 1.00 34.44 C ATOM 1294 C LYS B 16 -13.688 -0.427 59.887 1.00 33.16 C ATOM 1295 O LYS B 16 -14.019 -1.111 60.860 1.00 28.84 O ATOM 1296 CB LYS B 16 -15.200 1.474 59.338 1.00 32.80 C ATOM 1297 CG LYS B 16 -16.400 1.997 58.571 1.00 36.08 C ATOM 1298 CD LYS B 16 -16.032 2.413 57.159 1.00 43.04 C ATOM 1299 CE LYS B 16 -15.722 3.900 57.092 1.00 51.63 C ATOM 1300 NZ LYS B 16 -15.253 4.319 55.741 1.00 55.48 N ATOM 1301 HZ1 LYS B 16 -14.386 3.797 55.499 1.00 0.00 H ATOM 1302 HZ2 LYS B 16 -15.992 4.111 55.039 1.00 0.00 H ATOM 1303 HZ3 LYS B 16 -15.055 5.340 55.745 1.00 0.00 H ATOM 1304 H LYS B 16 -16.533 -0.897 59.628 1.00 0.00 H ATOM 1305 N ASN B 17 -12.425 -0.094 59.613 1.00 35.99 N ATOM 1306 CA ASN B 17 -11.331 -0.284 60.563 1.00 30.07 C ATOM 1307 C ASN B 17 -11.721 0.330 61.895 1.00 22.96 C ATOM 1308 O ASN B 17 -11.856 1.550 62.001 1.00 26.55 O ATOM 1309 CB ASN B 17 -10.035 0.349 60.029 1.00 34.78 C ATOM 1310 CG ASN B 17 -8.821 0.096 60.928 1.00 43.55 C ATOM 1311 OD1 ASN B 17 -8.944 -0.227 62.109 1.00 48.50 O ATOM 1312 ND2 ASN B 17 -7.634 0.267 60.361 1.00 49.35 N ATOM 1313 HD22 ASN B 17 -7.571 0.540 59.360 1.00 0.00 H ATOM 1314 HD21 ASN B 17 -6.767 0.128 60.918 1.00 0.00 H ATOM 1315 H ASN B 17 -12.210 0.319 58.683 1.00 0.00 H ATOM 1316 N PRO B 18 -11.905 -0.516 62.916 1.00 27.99 N ATOM 1317 CA PRO B 18 -12.396 -0.059 64.222 1.00 29.91 C ATOM 1318 C PRO B 18 -11.439 0.929 64.888 1.00 33.29 C ATOM 1319 O PRO B 18 -11.853 2.023 65.265 1.00 34.47 O ATOM 1320 CB PRO B 18 -12.510 -1.357 65.034 1.00 28.31 C ATOM 1321 CG PRO B 18 -11.569 -2.319 64.361 1.00 31.25 C ATOM 1322 CD PRO B 18 -11.602 -1.959 62.904 1.00 30.95 C ATOM 1323 N ALA B 19 -10.174 0.545 65.025 1.00 33.02 N ATOM 1324 CA ALA B 19 -9.191 1.384 65.706 1.00 22.05 C ATOM 1325 C ALA B 19 -9.047 2.747 65.038 1.00 22.77 C ATOM 1326 O ALA B 19 -8.984 3.771 65.711 1.00 28.13 O ATOM 1327 CB ALA B 19 -7.851 0.677 65.755 1.00 24.59 C ATOM 1328 H ALA B 19 -9.877 -0.374 64.639 1.00 0.00 H ATOM 1329 N LYS B 20 -9.011 2.750 63.710 1.00 23.42 N ATOM 1330 CA LYS B 20 -8.808 3.971 62.936 1.00 34.38 C ATOM 1331 C LYS B 20 -9.988 4.946 63.027 1.00 34.72 C ATOM 1332 O LYS B 20 -9.793 6.160 63.074 1.00 34.06 O ATOM 1333 CB LYS B 20 -8.541 3.612 61.473 1.00 30.41 C ATOM 1334 CG LYS B 20 -8.587 4.787 60.518 1.00 36.42 C ATOM 1335 CD LYS B 20 -8.943 4.310 59.120 1.00 43.63 C ATOM 1336 CE LYS B 20 -8.940 5.451 58.121 1.00 50.37 C ATOM 1337 NZ LYS B 20 -9.222 4.963 56.739 1.00 52.56 N ATOM 1338 HZ1 LYS B 20 -8.493 4.276 56.460 1.00 0.00 H ATOM 1339 HZ2 LYS B 20 -10.156 4.506 56.718 1.00 0.00 H ATOM 1340 HZ3 LYS B 20 -9.213 5.767 56.080 1.00 0.00 H ATOM 1341 H LYS B 20 -9.132 1.850 63.203 1.00 0.00 H ATOM 1342 N SER B 21 -11.207 4.419 63.053 1.00 32.07 N ATOM 1343 CA SER B 21 -12.397 5.274 63.072 1.00 29.61 C ATOM 1344 C SER B 21 -12.887 5.616 64.476 1.00 30.16 C ATOM 1345 O SER B 21 -13.438 6.694 64.700 1.00 31.64 O ATOM 1346 CB SER B 21 -13.538 4.621 62.292 1.00 23.05 C ATOM 1347 OG SER B 21 -13.309 4.679 60.897 1.00 28.62 O ATOM 1348 HG SER B 21 -12.468 4.203 60.682 1.00 0.00 H ATOM 1349 H SER B 21 -11.318 3.385 63.060 1.00 0.00 H ATOM 1350 N TYR B 22 -12.684 4.708 65.424 1.00 25.90 N ATOM 1351 CA TYR B 22 -13.319 4.845 66.725 1.00 29.98 C ATOM 1352 C TYR B 22 -12.365 4.734 67.907 1.00 28.78 C ATOM 1353 O TYR B 22 -12.795 4.803 69.060 1.00 27.01 O ATOM 1354 CB TYR B 22 -14.432 3.803 66.856 1.00 32.69 C ATOM 1355 CG TYR B 22 -15.477 3.923 65.763 1.00 29.56 C ATOM 1356 CD1 TYR B 22 -16.393 4.971 65.763 1.00 25.72 C ATOM 1357 CD2 TYR B 22 -15.537 3.000 64.727 1.00 26.95 C ATOM 1358 CE1 TYR B 22 -17.340 5.090 64.764 1.00 24.96 C ATOM 1359 CE2 TYR B 22 -16.477 3.109 63.729 1.00 29.20 C ATOM 1360 CZ TYR B 22 -17.381 4.156 63.751 1.00 30.03 C ATOM 1361 OH TYR B 22 -18.327 4.272 62.759 1.00 28.94 O ATOM 1362 HH TYR B 22 -18.886 5.071 62.930 1.00 0.00 H ATOM 1363 H TYR B 22 -12.066 3.893 65.234 1.00 0.00 H ATOM 1364 N GLY B 23 -11.076 4.583 67.620 1.00 34.49 N ATOM 1365 CA GLY B 23 -10.078 4.442 68.662 1.00 36.98 C ATOM 1366 C GLY B 23 -9.817 5.741 69.400 1.00 38.71 C ATOM 1367 O GLY B 23 -9.342 5.729 70.537 1.00 37.90 O ATOM 1368 H GLY B 23 -10.776 4.566 66.624 1.00 0.00 H ATOM 1369 N ALA B 24 -10.123 6.866 68.758 1.00 24.69 N ATOM 1370 CA ALA B 24 -9.895 8.166 69.377 1.00 24.50 C ATOM 1371 C ALA B 24 -10.967 9.171 68.966 1.00 28.51 C ATOM 1372 O ALA B 24 -10.735 10.376 68.963 1.00 34.80 O ATOM 1373 CB ALA B 24 -8.495 8.691 69.024 1.00 26.31 C ATOM 1374 H ALA B 24 -10.530 6.817 67.802 1.00 0.00 H ATOM 1375 N TYR B 25 -12.152 8.673 68.637 1.00 26.78 N ATOM 1376 CA TYR B 25 -13.212 9.541 68.146 1.00 31.77 C ATOM 1377 C TYR B 25 -13.853 10.344 69.275 1.00 31.91 C ATOM 1378 O TYR B 25 -14.151 9.796 70.335 1.00 37.41 O ATOM 1379 CB TYR B 25 -14.276 8.717 67.423 1.00 27.00 C ATOM 1380 CG TYR B 25 -15.238 9.541 66.609 1.00 24.91 C ATOM 1381 CD1 TYR B 25 -16.372 10.097 67.188 1.00 21.10 C ATOM 1382 CD2 TYR B 25 -15.021 9.753 65.257 1.00 30.37 C ATOM 1383 CE1 TYR B 25 -17.261 10.849 66.445 1.00 22.72 C ATOM 1384 CE2 TYR B 25 -15.909 10.507 64.500 1.00 33.91 C ATOM 1385 CZ TYR B 25 -17.028 11.045 65.101 1.00 27.28 C ATOM 1386 OH TYR B 25 -17.904 11.793 64.357 1.00 29.13 O ATOM 1387 HH TYR B 25 -18.646 12.102 64.935 1.00 0.00 H ATOM 1388 H TYR B 25 -12.325 7.652 68.731 1.00 0.00 H ATOM 1389 N GLY B 26 -14.062 11.638 69.037 1.00 28.11 N ATOM 1390 CA GLY B 26 -14.818 12.490 69.942 1.00 25.34 C ATOM 1391 C GLY B 26 -14.317 12.492 71.369 1.00 31.29 C ATOM 1392 O GLY B 26 -13.141 12.263 71.624 1.00 34.27 O ATOM 1393 H GLY B 26 -13.669 12.056 68.170 1.00 0.00 H ATOM 1394 N CYS B 27 -15.220 12.738 72.308 1.00 32.19 N ATOM 1395 CA CYS B 27 -14.856 12.804 73.720 1.00 31.79 C ATOM 1396 C CYS B 27 -15.081 11.490 74.457 1.00 30.17 C ATOM 1397 O CYS B 27 -14.773 11.391 75.646 1.00 26.25 O ATOM 1398 CB CYS B 27 -15.643 13.913 74.427 1.00 29.71 C ATOM 1399 SG CYS B 27 -15.200 15.581 73.909 1.00 34.83 S ATOM 1400 H CYS B 27 -16.211 12.888 72.032 1.00 0.00 H ATOM 1401 N ASN B 28 -15.605 10.484 73.759 1.00 31.71 N ATOM 1402 CA ASN B 28 -16.033 9.254 74.423 1.00 29.72 C ATOM 1403 C ASN B 28 -15.563 7.952 73.786 1.00 25.23 C ATOM 1404 O ASN B 28 -15.501 6.929 74.463 1.00 24.77 O ATOM 1405 CB ASN B 28 -17.559 9.217 74.514 1.00 30.69 C ATOM 1406 CG ASN B 28 -18.116 10.315 75.389 1.00 31.67 C ATOM 1407 OD1 ASN B 28 -18.175 10.176 76.610 1.00 33.63 O ATOM 1408 ND2 ASN B 28 -18.543 11.410 74.770 1.00 35.39 N ATOM 1409 HD22 ASN B 28 -18.473 11.483 73.735 1.00 0.00 H ATOM 1410 HD21 ASN B 28 -18.947 12.194 75.320 1.00 0.00 H ATOM 1411 H ASN B 28 -15.711 10.575 72.728 1.00 0.00 H ATOM 1412 N CYS B 29 -15.251 7.973 72.495 1.00 20.25 N ATOM 1413 CA CYS B 29 -14.901 6.733 71.806 1.00 24.64 C ATOM 1414 C CYS B 29 -13.452 6.320 72.019 1.00 28.85 C ATOM 1415 O CYS B 29 -12.524 7.114 71.832 1.00 35.03 O ATOM 1416 CB CYS B 29 -15.180 6.849 70.306 1.00 28.57 C ATOM 1417 SG CYS B 29 -16.925 6.909 69.865 1.00 28.70 S ATOM 1418 H CYS B 29 -15.256 8.873 71.974 1.00 0.00 H ATOM 1419 N GLY B 30 -13.273 5.061 72.408 1.00 29.43 N ATOM 1420 CA GLY B 30 -11.955 4.469 72.520 1.00 28.63 C ATOM 1421 C GLY B 30 -11.274 4.689 73.854 1.00 36.30 C ATOM 1422 O GLY B 30 -11.823 4.385 74.914 1.00 38.96 O ATOM 1423 H GLY B 30 -14.106 4.483 72.639 1.00 0.00 H ATOM 1424 N VAL B 31 -10.058 5.217 73.789 1.00 40.97 N ATOM 1425 CA VAL B 31 -9.211 5.397 74.959 1.00 41.32 C ATOM 1426 C VAL B 31 -9.797 6.367 75.979 1.00 36.94 C ATOM 1427 O VAL B 31 -10.622 7.215 75.640 1.00 40.44 O ATOM 1428 CB VAL B 31 -7.819 5.895 74.542 1.00 41.17 C ATOM 1429 CG1 VAL B 31 -7.059 4.790 73.829 1.00 30.61 C ATOM 1430 CG2 VAL B 31 -7.951 7.125 73.652 1.00 36.01 C ATOM 1431 H VAL B 31 -9.694 5.515 72.861 1.00 0.00 H ATOM 1432 N LEU B 32 -9.367 6.213 77.229 1.00 33.36 N ATOM 1433 CA LEU B 32 -9.746 7.093 78.334 1.00 39.81 C ATOM 1434 C LEU B 32 -11.230 6.976 78.682 1.00 45.39 C ATOM 1435 O LEU B 32 -11.894 6.005 78.309 1.00 47.07 O ATOM 1436 CB LEU B 32 -9.390 8.554 78.021 1.00 41.44 C ATOM 1437 CG LEU B 32 -7.926 8.993 78.138 1.00 49.81 C ATOM 1438 CD1 LEU B 32 -7.043 8.366 77.065 1.00 40.19 C ATOM 1439 CD2 LEU B 32 -7.820 10.511 78.099 1.00 53.35 C ATOM 1440 H LEU B 32 -8.724 5.421 77.432 1.00 0.00 H ATOM 1441 N GLY B 33 -11.739 7.968 79.405 1.00 40.90 N ATOM 1442 CA GLY B 33 -13.097 7.916 79.914 1.00 41.64 C ATOM 1443 C GLY B 33 -14.119 8.638 79.057 1.00 39.60 C ATOM 1444 O GLY B 33 -14.097 8.547 77.827 1.00 39.44 O ATOM 1445 H GLY B 33 -11.151 8.801 79.611 1.00 0.00 H ATOM 1446 N ARG B 34 -15.022 9.353 79.720 1.00 34.88 N ATOM 1447 CA ARG B 34 -16.113 10.039 79.047 1.00 28.27 C ATOM 1448 C ARG B 34 -15.949 11.553 79.072 1.00 29.42 C ATOM 1449 O ARG B 34 -15.273 12.104 79.939 1.00 30.42 O ATOM 1450 CB ARG B 34 -17.452 9.673 79.691 1.00 35.81 C ATOM 1451 CG ARG B 34 -17.792 8.198 79.658 1.00 40.08 C ATOM 1452 CD ARG B 34 -19.072 7.905 80.439 1.00 40.22 C ATOM 1453 NE ARG B 34 -19.014 8.413 81.810 1.00 42.44 N ATOM 1454 CZ ARG B 34 -19.757 9.418 82.265 1.00 47.27 C ATOM 1455 NH1 ARG B 34 -20.625 10.014 81.461 1.00 47.39 N ATOM 1456 NH2 ARG B 34 -19.645 9.824 83.525 1.00 42.69 N ATOM 1457 HE ARG B 34 -18.350 7.960 82.470 1.00 0.00 H ATOM 1458 HH12 ARG B 34 -21.207 10.800 81.815 1.00 0.00 H ATOM 1459 HH11 ARG B 34 -20.725 9.696 80.476 1.00 0.00 H ATOM 1460 HH22 ARG B 34 -20.230 10.611 83.872 1.00 0.00 H ATOM 1461 HH21 ARG B 34 -18.972 9.355 84.165 1.00 0.00 H ATOM 1462 H ARG B 34 -14.946 9.424 80.755 1.00 0.00 H ATOM 1463 N GLY B 35 -16.590 12.212 78.114 1.00 37.41 N ATOM 1464 CA GLY B 35 -16.737 13.656 78.106 1.00 37.30 C ATOM 1465 C GLY B 35 -18.096 13.965 77.507 1.00 39.35 C ATOM 1466 O GLY B 35 -18.808 13.040 77.111 1.00 38.22 O ATOM 1467 H GLY B 35 -17.007 11.668 77.332 1.00 0.00 H ATOM 1468 N GLN B 36 -18.471 15.240 77.443 1.00 36.24 N ATOM 1469 CA GLN B 36 -19.719 15.615 76.783 1.00 32.13 C ATOM 1470 C GLN B 36 -19.642 15.190 75.330 1.00 32.88 C ATOM 1471 O GLN B 36 -18.670 15.509 74.651 1.00 29.89 O ATOM 1472 CB GLN B 36 -19.979 17.117 76.881 1.00 37.74 C ATOM 1473 CG GLN B 36 -21.187 17.568 76.067 1.00 50.05 C ATOM 1474 CD GLN B 36 -21.357 19.073 76.030 1.00 62.74 C ATOM 1475 OE1 GLN B 36 -21.535 19.664 74.963 1.00 64.07 O ATOM 1476 NE2 GLN B 36 -21.313 19.703 77.199 1.00 70.58 N ATOM 1477 HE22 GLN B 36 -21.160 19.164 78.075 1.00 0.00 H ATOM 1478 HE21 GLN B 36 -21.431 20.736 77.238 1.00 0.00 H ATOM 1479 H GLN B 36 -17.870 15.976 77.867 1.00 0.00 H ATOM 1480 N PRO B 37 -20.656 14.450 74.851 1.00 33.94 N ATOM 1481 CA PRO B 37 -20.576 13.905 73.491 1.00 32.87 C ATOM 1482 C PRO B 37 -20.510 14.994 72.425 1.00 32.23 C ATOM 1483 O PRO B 37 -21.093 16.066 72.586 1.00 25.43 O ATOM 1484 CB PRO B 37 -21.870 13.088 73.358 1.00 28.89 C ATOM 1485 CG PRO B 37 -22.304 12.815 74.761 1.00 29.23 C ATOM 1486 CD PRO B 37 -21.885 14.027 75.542 1.00 33.35 C ATOM 1487 N LYS B 38 -19.800 14.712 71.340 1.00 31.65 N ATOM 1488 CA LYS B 38 -19.697 15.663 70.243 1.00 34.59 C ATOM 1489 C LYS B 38 -20.831 15.494 69.241 1.00 32.89 C ATOM 1490 O LYS B 38 -21.263 16.459 68.615 1.00 35.30 O ATOM 1491 CB LYS B 38 -18.350 15.522 69.535 1.00 37.56 C ATOM 1492 CG LYS B 38 -17.191 16.117 70.312 1.00 39.48 C ATOM 1493 CD LYS B 38 -17.573 17.494 70.831 1.00 42.76 C ATOM 1494 CE LYS B 38 -16.487 18.519 70.572 1.00 44.99 C ATOM 1495 NZ LYS B 38 -16.947 19.882 70.967 1.00 48.59 N ATOM 1496 HZ1 LYS B 38 -17.790 20.136 70.413 1.00 0.00 H ATOM 1497 HZ2 LYS B 38 -17.182 19.887 71.980 1.00 0.00 H ATOM 1498 HZ3 LYS B 38 -16.189 20.570 70.782 1.00 0.00 H ATOM 1499 H LYS B 38 -19.310 13.797 71.272 1.00 0.00 H ATOM 1500 N ASP B 39 -21.300 14.260 69.088 1.00 27.57 N ATOM 1501 CA ASP B 39 -22.346 13.957 68.124 1.00 29.14 C ATOM 1502 C ASP B 39 -22.969 12.600 68.447 1.00 28.99 C ATOM 1503 O ASP B 39 -22.708 12.039 69.511 1.00 32.36 O ATOM 1504 CB ASP B 39 -21.788 13.987 66.694 1.00 26.07 C ATOM 1505 CG ASP B 39 -20.707 12.943 66.451 1.00 25.25 C ATOM 1506 OD1 ASP B 39 -20.343 12.201 67.386 1.00 21.61 O ATOM 1507 OD2 ASP B 39 -20.209 12.880 65.306 1.00 23.46 O ATOM 1508 H ASP B 39 -20.910 13.493 69.672 1.00 0.00 H ATOM 1509 N ALA B 40 -23.779 12.070 67.535 1.00 26.92 N ATOM 1510 CA ALA B 40 -24.440 10.791 67.783 1.00 28.10 C ATOM 1511 C ALA B 40 -23.428 9.645 67.906 1.00 28.01 C ATOM 1512 O ALA B 40 -23.549 8.786 68.786 1.00 21.87 O ATOM 1513 CB ALA B 40 -25.445 10.501 66.689 1.00 30.73 C ATOM 1514 H ALA B 40 -23.943 12.570 66.638 1.00 0.00 H ATOM 1515 N THR B 41 -22.423 9.638 67.034 1.00 25.65 N ATOM 1516 CA THR B 41 -21.409 8.589 67.077 1.00 27.25 C ATOM 1517 C THR B 41 -20.723 8.596 68.438 1.00 24.53 C ATOM 1518 O THR B 41 -20.553 7.557 69.068 1.00 28.15 O ATOM 1519 CB THR B 41 -20.369 8.758 65.956 1.00 27.37 C ATOM 1520 OG1 THR B 41 -20.990 8.480 64.691 1.00 29.15 O ATOM 1521 CG2 THR B 41 -19.184 7.810 66.166 1.00 25.47 C ATOM 1522 HG1 THR B 41 -21.740 9.110 64.547 1.00 0.00 H ATOM 1523 H THR B 41 -22.359 10.387 66.315 1.00 0.00 H ATOM 1524 N ASP B 42 -20.363 9.785 68.898 1.00 24.64 N ATOM 1525 CA ASP B 42 -19.713 9.945 70.187 1.00 26.51 C ATOM 1526 C ASP B 42 -20.612 9.446 71.320 1.00 25.46 C ATOM 1527 O ASP B 42 -20.159 8.733 72.219 1.00 25.05 O ATOM 1528 CB ASP B 42 -19.334 11.415 70.399 1.00 26.14 C ATOM 1529 CG ASP B 42 -18.166 11.586 71.343 1.00 26.88 C ATOM 1530 OD1 ASP B 42 -17.476 10.581 71.613 1.00 32.28 O ATOM 1531 OD2 ASP B 42 -17.913 12.730 71.784 1.00 23.12 O ATOM 1532 H ASP B 42 -20.551 10.628 68.319 1.00 0.00 H ATOM 1533 N ARG B 43 -21.894 9.803 71.255 1.00 25.71 N ATOM 1534 CA ARG B 43 -22.864 9.428 72.280 1.00 22.79 C ATOM 1535 C ARG B 43 -23.025 7.909 72.394 1.00 26.87 C ATOM 1536 O ARG B 43 -23.272 7.392 73.480 1.00 29.24 O ATOM 1537 CB ARG B 43 -24.212 10.087 71.987 1.00 30.49 C ATOM 1538 CG ARG B 43 -25.123 10.213 73.188 1.00 37.17 C ATOM 1539 CD ARG B 43 -26.288 11.168 72.916 1.00 40.35 C ATOM 1540 NE ARG B 43 -25.833 12.519 72.593 1.00 38.66 N ATOM 1541 CZ ARG B 43 -25.859 13.056 71.376 1.00 34.36 C ATOM 1542 NH1 ARG B 43 -26.325 12.362 70.348 1.00 27.40 N ATOM 1543 NH2 ARG B 43 -25.421 14.294 71.190 1.00 34.00 N ATOM 1544 HE ARG B 43 -25.462 13.102 73.370 1.00 0.00 H ATOM 1545 HH12 ARG B 43 -26.343 12.787 69.399 1.00 0.00 H ATOM 1546 HH11 ARG B 43 -26.673 11.392 70.490 1.00 0.00 H ATOM 1547 HH22 ARG B 43 -25.441 14.715 70.239 1.00 0.00 H ATOM 1548 HH21 ARG B 43 -25.058 14.844 71.995 1.00 0.00 H ATOM 1549 H ARG B 43 -22.216 10.370 70.444 1.00 0.00 H ATOM 1550 N CYS B 44 -22.888 7.201 71.276 1.00 20.85 N ATOM 1551 CA CYS B 44 -22.840 5.740 71.292 1.00 22.14 C ATOM 1552 C CYS B 44 -21.829 5.241 72.306 1.00 28.01 C ATOM 1553 O CYS B 44 -22.126 4.345 73.107 1.00 24.45 O ATOM 1554 CB CYS B 44 -22.476 5.174 69.913 1.00 20.76 C ATOM 1555 SG CYS B 44 -23.720 5.384 68.638 1.00 28.48 S ATOM 1556 H CYS B 44 -22.813 7.700 70.367 1.00 0.00 H ATOM 1557 N CYS B 45 -20.633 5.826 72.248 1.00 26.61 N ATOM 1558 CA CYS B 45 -19.529 5.417 73.096 1.00 23.84 C ATOM 1559 C CYS B 45 -19.749 5.896 74.520 1.00 27.18 C ATOM 1560 O CYS B 45 -19.255 5.296 75.471 1.00 27.22 O ATOM 1561 CB CYS B 45 -18.210 5.950 72.541 1.00 26.65 C ATOM 1562 SG CYS B 45 -17.863 5.397 70.846 1.00 31.06 S ATOM 1563 H CYS B 45 -20.486 6.602 71.572 1.00 0.00 H ATOM 1564 N TYR B 46 -20.498 6.984 74.654 1.00 21.76 N ATOM 1565 CA TYR B 46 -20.917 7.481 75.953 1.00 24.01 C ATOM 1566 C TYR B 46 -21.737 6.409 76.663 1.00 25.27 C ATOM 1567 O TYR B 46 -21.404 5.990 77.766 1.00 27.67 O ATOM 1568 CB TYR B 46 -21.727 8.782 75.803 1.00 25.04 C ATOM 1569 CG TYR B 46 -22.204 9.389 77.120 1.00 28.18 C ATOM 1570 CD1 TYR B 46 -23.295 8.864 77.798 1.00 35.83 C ATOM 1571 CD2 TYR B 46 -21.557 10.481 77.674 1.00 36.77 C ATOM 1572 CE1 TYR B 46 -23.726 9.410 78.993 1.00 41.27 C ATOM 1573 CE2 TYR B 46 -21.972 11.039 78.850 1.00 41.60 C ATOM 1574 CZ TYR B 46 -23.053 10.506 79.517 1.00 40.67 C ATOM 1575 OH TYR B 46 -23.487 11.059 80.701 1.00 43.44 O ATOM 1576 HH TYR B 46 -24.268 10.550 81.035 1.00 0.00 H ATOM 1577 H TYR B 46 -20.795 7.498 73.800 1.00 0.00 H ATOM 1578 N VAL B 47 -22.817 5.975 76.022 1.00 30.41 N ATOM 1579 CA VAL B 47 -23.682 4.930 76.573 1.00 23.86 C ATOM 1580 C VAL B 47 -22.883 3.656 76.827 1.00 24.02 C ATOM 1581 O VAL B 47 -23.056 2.964 77.832 1.00 27.68 O ATOM 1582 CB VAL B 47 -24.856 4.632 75.622 1.00 26.03 C ATOM 1583 CG1 VAL B 47 -25.761 3.531 76.195 1.00 28.36 C ATOM 1584 CG2 VAL B 47 -25.661 5.906 75.368 1.00 23.98 C ATOM 1585 H VAL B 47 -23.056 6.391 75.099 1.00 0.00 H ATOM 1586 N HIS B 48 -21.991 3.382 75.889 1.00 28.19 N ATOM 1587 CA HIS B 48 -21.029 2.290 75.942 1.00 29.81 C ATOM 1588 C HIS B 48 -20.251 2.267 77.258 1.00 29.32 C ATOM 1589 O HIS B 48 -20.217 1.253 77.954 1.00 28.31 O ATOM 1590 CB HIS B 48 -20.104 2.441 74.735 1.00 32.55 C ATOM 1591 CG HIS B 48 -18.994 1.448 74.650 1.00 37.96 C ATOM 1592 ND1 HIS B 48 -17.757 1.774 74.138 1.00 33.30 N ATOM 1593 CD2 HIS B 48 -18.939 0.126 74.950 1.00 44.21 C ATOM 1594 CE1 HIS B 48 -16.978 0.708 74.151 1.00 37.63 C ATOM 1595 NE2 HIS B 48 -17.675 -0.305 74.636 1.00 46.22 N ATOM 1596 H HIS B 48 -21.976 3.994 75.048 1.00 0.00 H ATOM 1597 N LYS B 49 -19.653 3.396 77.621 1.00 27.43 N ATOM 1598 CA LYS B 49 -18.831 3.444 78.822 1.00 24.98 C ATOM 1599 C LYS B 49 -19.666 3.507 80.102 1.00 26.81 C ATOM 1600 O LYS B 49 -19.234 3.035 81.151 1.00 29.45 O ATOM 1601 CB LYS B 49 -17.856 4.617 78.740 1.00 24.46 C ATOM 1602 CG LYS B 49 -16.555 4.220 78.047 1.00 28.74 C ATOM 1603 CD LYS B 49 -15.835 5.395 77.414 1.00 29.46 C ATOM 1604 CE LYS B 49 -14.542 4.932 76.740 1.00 26.82 C ATOM 1605 NZ LYS B 49 -13.864 6.061 76.042 1.00 30.84 N ATOM 1606 HZ1 LYS B 49 -14.498 6.448 75.314 1.00 0.00 H ATOM 1607 HZ2 LYS B 49 -13.632 6.804 76.732 1.00 0.00 H ATOM 1608 HZ3 LYS B 49 -12.991 5.716 75.595 1.00 0.00 H ATOM 1609 H LYS B 49 -19.773 4.252 77.043 1.00 0.00 H ATOM 1610 N CYS B 50 -20.866 4.073 80.021 1.00 28.07 N ATOM 1611 CA CYS B 50 -21.795 3.997 81.144 1.00 31.27 C ATOM 1612 C CYS B 50 -22.235 2.552 81.353 1.00 30.82 C ATOM 1613 O CYS B 50 -22.428 2.109 82.485 1.00 35.23 O ATOM 1614 CB CYS B 50 -23.008 4.902 80.921 1.00 32.72 C ATOM 1615 SG CYS B 50 -22.645 6.650 81.180 1.00 34.98 S ATOM 1616 H CYS B 50 -21.144 4.573 79.153 1.00 0.00 H ATOM 1617 N CYS B 51 -22.386 1.819 80.255 1.00 23.69 N ATOM 1618 CA CYS B 51 -22.708 0.398 80.327 1.00 37.69 C ATOM 1619 C CYS B 51 -21.585 -0.386 81.019 1.00 32.56 C ATOM 1620 O CYS B 51 -21.846 -1.335 81.762 1.00 27.84 O ATOM 1621 CB CYS B 51 -22.965 -0.165 78.925 1.00 35.47 C ATOM 1622 SG CYS B 51 -23.638 -1.861 78.881 1.00 34.39 S ATOM 1623 H CYS B 51 -22.272 2.268 79.324 1.00 0.00 H ATOM 1624 N TYR B 52 -20.341 0.022 80.775 1.00 28.87 N ATOM 1625 CA TYR B 52 -19.175 -0.622 81.383 1.00 33.21 C ATOM 1626 C TYR B 52 -19.145 -0.435 82.896 1.00 37.81 C ATOM 1627 O TYR B 52 -18.631 -1.284 83.622 1.00 34.48 O ATOM 1628 CB TYR B 52 -17.873 -0.064 80.798 1.00 30.70 C ATOM 1629 CG TYR B 52 -17.447 -0.638 79.465 1.00 30.55 C ATOM 1630 CD1 TYR B 52 -18.205 -1.606 78.818 1.00 30.73 C ATOM 1631 CD2 TYR B 52 -16.274 -0.209 78.857 1.00 30.92 C ATOM 1632 CE1 TYR B 52 -17.805 -2.124 77.596 1.00 27.35 C ATOM 1633 CE2 TYR B 52 -15.865 -0.723 77.643 1.00 30.43 C ATOM 1634 CZ TYR B 52 -16.629 -1.683 77.020 1.00 27.83 C ATOM 1635 OH TYR B 52 -16.220 -2.187 75.807 1.00 26.56 O ATOM 1636 HH TYR B 52 -16.873 -2.863 75.495 1.00 0.00 H ATOM 1637 H TYR B 52 -20.193 0.825 80.131 1.00 0.00 H ATOM 1638 N LYS B 53 -19.686 0.690 83.354 1.00 41.13 N ATOM 1639 CA LYS B 53 -19.554 1.117 84.746 1.00 42.82 C ATOM 1640 C LYS B 53 -20.017 0.058 85.742 1.00 40.57 C ATOM 1641 O LYS B 53 -19.402 -0.120 86.792 1.00 46.19 O ATOM 1642 CB LYS B 53 -20.330 2.418 84.970 1.00 45.71 C ATOM 1643 CG LYS B 53 -19.511 3.522 85.618 1.00 47.36 C ATOM 1644 CD LYS B 53 -18.324 3.906 84.748 1.00 51.58 C ATOM 1645 CE LYS B 53 -17.410 4.893 85.462 1.00 55.27 C ATOM 1646 NZ LYS B 53 -16.070 4.991 84.817 1.00 50.27 N ATOM 1647 HZ1 LYS B 53 -15.611 4.058 84.831 1.00 0.00 H ATOM 1648 HZ2 LYS B 53 -16.183 5.309 83.833 1.00 0.00 H ATOM 1649 HZ3 LYS B 53 -15.485 5.674 85.339 1.00 0.00 H ATOM 1650 H LYS B 53 -20.224 1.290 82.696 1.00 0.00 H ATOM 1651 N LYS B 57 -21.093 -0.647 85.404 1.00 36.70 N ATOM 1652 CA LYS B 57 -21.651 -1.674 86.279 1.00 35.95 C ATOM 1653 C LYS B 57 -20.820 -2.961 86.296 1.00 35.77 C ATOM 1654 O LYS B 57 -20.996 -3.812 87.169 1.00 36.64 O ATOM 1655 CB LYS B 57 -23.086 -1.999 85.858 1.00 36.96 C ATOM 1656 H LYS B 57 -21.551 -0.461 84.489 1.00 0.00 H ATOM 1657 N LEU B 58 -19.916 -3.099 85.331 1.00 37.51 N ATOM 1658 CA LEU B 58 -19.122 -4.317 85.191 1.00 40.20 C ATOM 1659 C LEU B 58 -17.886 -4.307 86.087 1.00 44.10 C ATOM 1660 O LEU B 58 -16.761 -4.448 85.607 1.00 47.51 O ATOM 1661 CB LEU B 58 -18.703 -4.502 83.733 1.00 37.91 C ATOM 1662 CG LEU B 58 -19.854 -4.622 82.736 1.00 38.94 C ATOM 1663 CD1 LEU B 58 -19.337 -4.497 81.314 1.00 38.98 C ATOM 1664 CD2 LEU B 58 -20.572 -5.940 82.931 1.00 36.25 C ATOM 1665 H LEU B 58 -19.770 -2.319 84.658 1.00 0.00 H ATOM 1666 N THR B 59 -18.098 -4.151 87.389 1.00 43.04 N ATOM 1667 CA THR B 59 -16.989 -4.072 88.330 1.00 45.52 C ATOM 1668 C THR B 59 -16.408 -5.451 88.622 1.00 44.76 C ATOM 1669 O THR B 59 -15.388 -5.573 89.300 1.00 46.45 O ATOM 1670 CB THR B 59 -17.421 -3.410 89.654 1.00 44.19 C ATOM 1671 OG1 THR B 59 -18.380 -4.241 90.315 1.00 44.68 O ATOM 1672 CG2 THR B 59 -18.037 -2.045 89.392 1.00 42.88 C ATOM 1673 HG1 THR B 59 -18.655 -3.814 91.164 1.00 0.00 H ATOM 1674 H THR B 59 -19.074 -4.084 87.743 1.00 0.00 H ATOM 1675 N GLY B 60 -17.058 -6.486 88.098 1.00 44.22 N ATOM 1676 CA GLY B 60 -16.636 -7.855 88.330 1.00 42.83 C ATOM 1677 C GLY B 60 -15.712 -8.413 87.264 1.00 41.62 C ATOM 1678 O GLY B 60 -15.192 -9.519 87.409 1.00 45.00 O ATOM 1679 H GLY B 60 -17.893 -6.309 87.504 1.00 0.00 H ATOM 1680 N CYS B 61 -15.508 -7.659 86.190 1.00 43.01 N ATOM 1681 CA CYS B 61 -14.600 -8.087 85.128 1.00 41.62 C ATOM 1682 C CYS B 61 -13.939 -6.897 84.432 1.00 38.42 C ATOM 1683 O CYS B 61 -14.215 -5.742 84.758 1.00 40.43 O ATOM 1684 CB CYS B 61 -15.337 -8.972 84.111 1.00 41.88 C ATOM 1685 SG CYS B 61 -16.826 -8.257 83.358 1.00 42.13 S ATOM 1686 H CYS B 61 -16.003 -6.748 86.103 1.00 0.00 H ATOM 1687 N ASP B 67 -13.057 -7.191 83.482 1.00 33.77 N ATOM 1688 CA ASP B 67 -12.253 -6.169 82.818 1.00 36.91 C ATOM 1689 C ASP B 67 -12.700 -5.982 81.371 1.00 34.60 C ATOM 1690 O ASP B 67 -12.375 -6.797 80.511 1.00 29.12 O ATOM 1691 CB ASP B 67 -10.765 -6.548 82.872 1.00 43.97 C ATOM 1692 CG ASP B 67 -9.839 -5.388 82.519 1.00 45.79 C ATOM 1693 OD1 ASP B 67 -10.248 -4.482 81.761 1.00 47.48 O ATOM 1694 OD2 ASP B 67 -8.685 -5.391 82.998 1.00 42.32 O ATOM 1695 H ASP B 67 -12.935 -8.185 83.202 1.00 0.00 H ATOM 1696 N PRO B 68 -13.444 -4.897 81.100 1.00 31.13 N ATOM 1697 CA PRO B 68 -13.955 -4.593 79.758 1.00 30.06 C ATOM 1698 C PRO B 68 -12.858 -4.481 78.699 1.00 34.70 C ATOM 1699 O PRO B 68 -13.127 -4.740 77.525 1.00 33.85 O ATOM 1700 CB PRO B 68 -14.663 -3.245 79.950 1.00 30.75 C ATOM 1701 CG PRO B 68 -15.021 -3.207 81.396 1.00 33.28 C ATOM 1702 CD PRO B 68 -13.894 -3.908 82.096 1.00 34.24 C ATOM 1703 N LYS B 69 -11.647 -4.109 79.107 1.00 35.73 N ATOM 1704 CA LYS B 69 -10.551 -3.921 78.164 1.00 32.47 C ATOM 1705 C LYS B 69 -9.780 -5.212 77.889 1.00 32.31 C ATOM 1706 O LYS B 69 -9.339 -5.440 76.766 1.00 31.14 O ATOM 1707 CB LYS B 69 -9.584 -2.847 78.674 1.00 36.80 C ATOM 1708 CG LYS B 69 -10.223 -1.489 78.930 1.00 41.20 C ATOM 1709 CD LYS B 69 -9.177 -0.376 79.001 1.00 47.62 C ATOM 1710 CE LYS B 69 -8.127 -0.632 80.080 1.00 51.96 C ATOM 1711 NZ LYS B 69 -8.641 -0.370 81.454 1.00 53.63 N ATOM 1712 HZ1 LYS B 69 -8.939 0.624 81.528 1.00 0.00 H ATOM 1713 HZ2 LYS B 69 -9.453 -0.992 81.644 1.00 0.00 H ATOM 1714 HZ3 LYS B 69 -7.888 -0.559 82.146 1.00 0.00 H ATOM 1715 H LYS B 69 -11.479 -3.949 80.121 1.00 0.00 H ATOM 1716 N LYS B 70 -9.628 -6.060 78.904 1.00 33.29 N ATOM 1717 CA LYS B 70 -8.714 -7.198 78.798 1.00 39.13 C ATOM 1718 C LYS B 70 -9.383 -8.568 78.765 1.00 40.45 C ATOM 1719 O LYS B 70 -8.830 -9.509 78.195 1.00 40.19 O ATOM 1720 CB LYS B 70 -7.712 -7.172 79.954 1.00 42.13 C ATOM 1721 CG LYS B 70 -6.733 -6.013 79.903 1.00 48.57 C ATOM 1722 CD LYS B 70 -5.808 -6.019 81.107 1.00 51.21 C ATOM 1723 CE LYS B 70 -4.351 -6.186 80.697 1.00 57.61 C ATOM 1724 NZ LYS B 70 -4.010 -7.597 80.349 1.00 59.63 N ATOM 1725 HZ1 LYS B 70 -4.182 -8.207 81.173 1.00 0.00 H ATOM 1726 HZ2 LYS B 70 -4.604 -7.910 79.554 1.00 0.00 H ATOM 1727 HZ3 LYS B 70 -3.008 -7.653 80.078 1.00 0.00 H ATOM 1728 H LYS B 70 -10.165 -5.912 79.782 1.00 0.00 H ATOM 1729 N ASP B 71 -10.555 -8.696 79.379 1.00 36.46 N ATOM 1730 CA ASP B 71 -11.189 -10.009 79.481 1.00 33.44 C ATOM 1731 C ASP B 71 -11.826 -10.455 78.169 1.00 31.70 C ATOM 1732 O ASP B 71 -12.679 -9.766 77.608 1.00 30.47 O ATOM 1733 CB ASP B 71 -12.231 -10.015 80.598 1.00 36.37 C ATOM 1734 CG ASP B 71 -11.611 -9.842 81.969 1.00 44.42 C ATOM 1735 OD1 ASP B 71 -10.372 -9.943 82.078 1.00 47.33 O ATOM 1736 OD2 ASP B 71 -12.360 -9.611 82.939 1.00 49.61 O ATOM 1737 H ASP B 71 -11.021 -7.861 79.787 1.00 0.00 H ATOM 1738 N ARG B 72 -11.406 -11.619 77.687 1.00 33.33 N ATOM 1739 CA ARG B 72 -11.984 -12.198 76.481 1.00 36.34 C ATOM 1740 C ARG B 72 -13.350 -12.803 76.788 1.00 37.07 C ATOM 1741 O ARG B 72 -13.639 -13.145 77.932 1.00 37.44 O ATOM 1742 CB ARG B 72 -11.060 -13.268 75.891 1.00 39.84 C ATOM 1743 CG ARG B 72 -9.607 -12.834 75.675 1.00 44.09 C ATOM 1744 CD ARG B 72 -9.472 -11.742 74.616 1.00 45.56 C ATOM 1745 NE ARG B 72 -10.032 -12.136 73.325 1.00 47.65 N ATOM 1746 CZ ARG B 72 -9.318 -12.601 72.303 1.00 52.83 C ATOM 1747 NH1 ARG B 72 -8.004 -12.729 72.412 1.00 55.61 N ATOM 1748 NH2 ARG B 72 -9.921 -12.933 71.169 1.00 53.50 N ATOM 1749 HE ARG B 72 -11.060 -12.047 73.196 1.00 0.00 H ATOM 1750 HH12 ARG B 72 -7.449 -13.093 71.611 1.00 0.00 H ATOM 1751 HH11 ARG B 72 -7.528 -12.466 73.298 1.00 0.00 H ATOM 1752 HH22 ARG B 72 -9.363 -13.296 70.370 1.00 0.00 H ATOM 1753 HH21 ARG B 72 -10.952 -12.830 71.079 1.00 0.00 H ATOM 1754 H ARG B 72 -10.647 -12.129 78.182 1.00 0.00 H ATOM 1755 N TYR B 73 -14.188 -12.926 75.764 1.00 36.66 N ATOM 1756 CA TYR B 73 -15.458 -13.629 75.892 1.00 37.67 C ATOM 1757 C TYR B 73 -15.839 -14.267 74.560 1.00 37.52 C ATOM 1758 O TYR B 73 -15.234 -13.977 73.529 1.00 34.19 O ATOM 1759 CB TYR B 73 -16.571 -12.687 76.376 1.00 37.33 C ATOM 1760 CG TYR B 73 -16.782 -11.451 75.525 1.00 36.32 C ATOM 1761 CD1 TYR B 73 -17.459 -11.526 74.315 1.00 33.90 C ATOM 1762 CD2 TYR B 73 -16.332 -10.203 75.947 1.00 31.13 C ATOM 1763 CE1 TYR B 73 -17.656 -10.405 73.536 1.00 34.65 C ATOM 1764 CE2 TYR B 73 -16.532 -9.072 75.176 1.00 26.82 C ATOM 1765 CZ TYR B 73 -17.194 -9.180 73.969 1.00 32.19 C ATOM 1766 OH TYR B 73 -17.407 -8.067 73.185 1.00 28.30 O ATOM 1767 HH TYR B 73 -17.945 -7.407 73.690 1.00 0.00 H ATOM 1768 H TYR B 73 -13.931 -12.509 74.847 1.00 0.00 H ATOM 1769 N SER B 74 -16.847 -15.133 74.584 1.00 37.97 N ATOM 1770 CA SER B 74 -17.271 -15.829 73.377 1.00 38.14 C ATOM 1771 C SER B 74 -18.491 -15.175 72.735 1.00 41.72 C ATOM 1772 O SER B 74 -19.462 -14.833 73.413 1.00 39.35 O ATOM 1773 CB SER B 74 -17.570 -17.298 73.684 1.00 39.32 C ATOM 1774 OG SER B 74 -16.396 -18.089 73.599 1.00 51.00 O ATOM 1775 HG SER B 74 -16.619 -19.032 73.802 1.00 0.00 H ATOM 1776 H SER B 74 -17.342 -15.317 75.480 1.00 0.00 H ATOM 1777 N TYR B 75 -18.423 -14.993 71.420 1.00 42.17 N ATOM 1778 CA TYR B 75 -19.573 -14.558 70.643 1.00 34.67 C ATOM 1779 C TYR B 75 -19.417 -15.027 69.203 1.00 37.15 C ATOM 1780 O TYR B 75 -18.309 -15.363 68.763 1.00 30.69 O ATOM 1781 CB TYR B 75 -19.740 -13.037 70.705 1.00 31.27 C ATOM 1782 CG TYR B 75 -19.017 -12.259 69.622 1.00 29.54 C ATOM 1783 CD1 TYR B 75 -19.655 -11.938 68.424 1.00 28.41 C ATOM 1784 CD2 TYR B 75 -17.716 -11.809 69.811 1.00 29.00 C ATOM 1785 CE1 TYR B 75 -19.013 -11.220 67.440 1.00 26.38 C ATOM 1786 CE2 TYR B 75 -17.060 -11.082 68.824 1.00 30.44 C ATOM 1787 CZ TYR B 75 -17.718 -10.789 67.645 1.00 29.89 C ATOM 1788 OH TYR B 75 -17.076 -10.070 66.665 1.00 30.19 O ATOM 1789 HH TYR B 75 -17.685 -9.949 65.894 1.00 0.00 H ATOM 1790 H TYR B 75 -17.521 -15.167 70.932 1.00 0.00 H ATOM 1791 N SER B 76 -20.526 -15.051 68.473 1.00 28.98 N ATOM 1792 CA SER B 76 -20.504 -15.486 67.088 1.00 29.45 C ATOM 1793 C SER B 76 -21.203 -14.494 66.162 1.00 28.23 C ATOM 1794 O SER B 76 -22.024 -13.671 66.589 1.00 26.88 O ATOM 1795 CB SER B 76 -21.150 -16.868 66.955 1.00 40.83 C ATOM 1796 OG SER B 76 -22.488 -16.846 67.417 1.00 45.75 O ATOM 1797 HG SER B 76 -22.503 -16.577 68.370 1.00 0.00 H ATOM 1798 H SER B 76 -21.426 -14.753 68.901 1.00 0.00 H ATOM 1799 N TRP B 77 -20.857 -14.592 64.886 1.00 33.34 N ATOM 1800 CA TRP B 77 -21.438 -13.775 63.831 1.00 34.80 C ATOM 1801 C TRP B 77 -22.365 -14.677 63.025 1.00 33.65 C ATOM 1802 O TRP B 77 -21.922 -15.413 62.143 1.00 35.17 O ATOM 1803 CB TRP B 77 -20.318 -13.161 62.978 1.00 31.79 C ATOM 1804 CG TRP B 77 -20.723 -12.328 61.794 1.00 28.54 C ATOM 1805 CD1 TRP B 77 -20.545 -12.642 60.480 1.00 29.02 C ATOM 1806 CD2 TRP B 77 -21.332 -11.030 61.816 1.00 27.85 C ATOM 1807 NE1 TRP B 77 -21.012 -11.628 59.680 1.00 29.14 N ATOM 1808 CE2 TRP B 77 -21.505 -10.627 60.476 1.00 28.85 C ATOM 1809 CE3 TRP B 77 -21.759 -10.175 62.838 1.00 27.83 C ATOM 1810 CZ2 TRP B 77 -22.082 -9.402 60.129 1.00 29.02 C ATOM 1811 CZ3 TRP B 77 -22.335 -8.959 62.492 1.00 24.72 C ATOM 1812 CH2 TRP B 77 -22.491 -8.585 61.149 1.00 26.94 C ATOM 1813 HE1 TRP B 77 -20.994 -11.621 58.640 1.00 0.00 H ATOM 1814 H TRP B 77 -20.132 -15.290 64.625 1.00 0.00 H ATOM 1815 N LYS B 78 -23.648 -14.645 63.371 1.00 31.92 N ATOM 1816 CA LYS B 78 -24.629 -15.552 62.790 1.00 35.63 C ATOM 1817 C LYS B 78 -25.744 -14.779 62.092 1.00 37.74 C ATOM 1818 O LYS B 78 -26.405 -13.945 62.709 1.00 31.49 O ATOM 1819 CB LYS B 78 -25.217 -16.462 63.868 1.00 37.23 C ATOM 1820 H LYS B 78 -23.961 -13.951 64.079 1.00 0.00 H ATOM 1821 N ASP B 79 -25.945 -15.080 60.809 1.00 37.69 N ATOM 1822 CA ASP B 79 -26.877 -14.356 59.941 1.00 36.52 C ATOM 1823 C ASP B 79 -26.711 -12.849 60.117 1.00 31.01 C ATOM 1824 O ASP B 79 -27.672 -12.122 60.373 1.00 36.25 O ATOM 1825 CB ASP B 79 -28.319 -14.785 60.214 1.00 44.57 C ATOM 1826 CG ASP B 79 -29.299 -14.230 59.188 1.00 58.85 C ATOM 1827 OD1 ASP B 79 -28.843 -13.718 58.142 1.00 67.58 O ATOM 1828 OD2 ASP B 79 -30.526 -14.294 59.425 1.00 62.87 O ATOM 1829 H ASP B 79 -25.410 -15.873 60.401 1.00 0.00 H ATOM 1830 N LYS B 80 -25.468 -12.401 59.983 1.00 28.69 N ATOM 1831 CA LYS B 80 -25.101 -10.995 60.074 1.00 25.50 C ATOM 1832 C LYS B 80 -25.684 -10.346 61.320 1.00 25.88 C ATOM 1833 O LYS B 80 -26.246 -9.251 61.271 1.00 24.72 O ATOM 1834 CB LYS B 80 -25.537 -10.259 58.809 1.00 28.22 C ATOM 1835 CG LYS B 80 -24.944 -10.870 57.548 1.00 29.25 C ATOM 1836 CD LYS B 80 -25.102 -9.972 56.336 1.00 28.37 C ATOM 1837 CE LYS B 80 -26.510 -10.021 55.784 1.00 30.18 C ATOM 1838 NZ LYS B 80 -26.567 -9.367 54.445 1.00 33.25 N ATOM 1839 HZ1 LYS B 80 -26.272 -8.374 54.533 1.00 0.00 H ATOM 1840 HZ2 LYS B 80 -25.929 -9.863 53.791 1.00 0.00 H ATOM 1841 HZ3 LYS B 80 -27.540 -9.410 54.081 1.00 0.00 H ATOM 1842 H LYS B 80 -24.714 -13.094 59.803 1.00 0.00 H ATOM 1843 N THR B 81 -25.554 -11.060 62.433 1.00 27.07 N ATOM 1844 CA THR B 81 -26.051 -10.611 63.721 1.00 27.40 C ATOM 1845 C THR B 81 -25.040 -11.003 64.778 1.00 28.92 C ATOM 1846 O THR B 81 -24.575 -12.139 64.801 1.00 28.64 O ATOM 1847 CB THR B 81 -27.425 -11.241 64.071 1.00 39.22 C ATOM 1848 OG1 THR B 81 -28.348 -11.035 62.995 1.00 34.17 O ATOM 1849 CG2 THR B 81 -27.989 -10.637 65.349 1.00 40.03 C ATOM 1850 HG1 THR B 81 -27.995 -11.459 62.173 1.00 0.00 H ATOM 1851 H THR B 81 -25.075 -11.981 62.379 1.00 0.00 H ATOM 1852 N ILE B 82 -24.691 -10.064 65.648 1.00 34.61 N ATOM 1853 CA ILE B 82 -23.822 -10.376 66.770 1.00 31.19 C ATOM 1854 C ILE B 82 -24.614 -11.161 67.811 1.00 29.88 C ATOM 1855 O ILE B 82 -25.596 -10.667 68.359 1.00 31.27 O ATOM 1856 CB ILE B 82 -23.225 -9.102 67.396 1.00 28.57 C ATOM 1857 CG1 ILE B 82 -22.329 -8.386 66.380 1.00 24.23 C ATOM 1858 CG2 ILE B 82 -22.455 -9.439 68.665 1.00 27.53 C ATOM 1859 CD1 ILE B 82 -21.883 -7.009 66.822 1.00 23.17 C ATOM 1860 H ILE B 82 -25.044 -9.093 65.525 1.00 0.00 H ATOM 1861 N VAL B 83 -24.196 -12.396 68.064 1.00 28.93 N ATOM 1862 CA VAL B 83 -24.873 -13.243 69.035 1.00 28.95 C ATOM 1863 C VAL B 83 -23.940 -13.572 70.195 1.00 37.83 C ATOM 1864 O VAL B 83 -22.979 -14.325 70.029 1.00 40.63 O ATOM 1865 CB VAL B 83 -25.369 -14.556 68.395 1.00 35.11 C ATOM 1866 CG1 VAL B 83 -26.050 -15.441 69.440 1.00 36.99 C ATOM 1867 CG2 VAL B 83 -26.315 -14.264 67.239 1.00 33.32 C ATOM 1868 H VAL B 83 -23.367 -12.766 67.557 1.00 0.00 H ATOM 1869 N CYS B 84 -24.216 -13.006 71.367 1.00 29.06 N ATOM 1870 CA CYS B 84 -23.356 -13.233 72.522 1.00 31.11 C ATOM 1871 C CYS B 84 -23.514 -14.647 73.056 1.00 37.30 C ATOM 1872 O CYS B 84 -24.617 -15.083 73.380 1.00 38.75 O ATOM 1873 CB CYS B 84 -23.643 -12.214 73.626 1.00 28.21 C ATOM 1874 SG CYS B 84 -23.055 -10.539 73.244 1.00 39.77 S ATOM 1875 H CYS B 84 -25.053 -12.396 71.460 1.00 0.00 H ATOM 1876 N GLY B 85 -22.400 -15.365 73.133 1.00 41.22 N ATOM 1877 CA GLY B 85 -22.412 -16.729 73.624 1.00 45.78 C ATOM 1878 C GLY B 85 -22.699 -16.781 75.110 1.00 51.90 C ATOM 1879 O GLY B 85 -22.797 -15.748 75.774 1.00 47.53 O ATOM 1880 H GLY B 85 -21.499 -14.940 72.835 1.00 0.00 H ATOM 1881 N GLU B 86 -22.845 -17.990 75.635 1.00 62.22 N ATOM 1882 CA GLU B 86 -23.053 -18.170 77.063 1.00 64.11 C ATOM 1883 C GLU B 86 -21.746 -17.940 77.813 1.00 67.25 C ATOM 1884 O GLU B 86 -20.725 -18.559 77.509 1.00 74.75 O ATOM 1885 CB GLU B 86 -23.605 -19.566 77.358 1.00 67.39 C ATOM 1886 H GLU B 86 -22.810 -18.824 75.015 1.00 0.00 H ATOM 1887 N ASN B 87 -21.780 -17.035 78.783 1.00 61.33 N ATOM 1888 CA ASN B 87 -20.625 -16.776 79.632 1.00 62.47 C ATOM 1889 C ASN B 87 -21.063 -16.694 81.086 1.00 59.81 C ATOM 1890 O ASN B 87 -22.124 -17.198 81.452 1.00 62.45 O ATOM 1891 CB ASN B 87 -19.923 -15.476 79.223 1.00 62.60 C ATOM 1892 CG ASN B 87 -19.393 -15.511 77.799 1.00 61.78 C ATOM 1893 OD1 ASN B 87 -18.280 -15.977 77.546 1.00 62.09 O ATOM 1894 ND2 ASN B 87 -20.183 -14.998 76.862 1.00 56.08 N ATOM 1895 HD22 ASN B 87 -21.115 -14.615 77.120 1.00 0.00 H ATOM 1896 HD21 ASN B 87 -19.869 -14.979 75.871 1.00 0.00 H ATOM 1897 H ASN B 87 -22.655 -16.496 78.941 1.00 0.00 H ATOM 1898 N ASN B 88 -20.243 -16.061 81.916 1.00 54.53 N ATOM 1899 CA ASN B 88 -20.678 -15.687 83.253 1.00 52.84 C ATOM 1900 C ASN B 88 -21.395 -14.341 83.145 1.00 48.48 C ATOM 1901 O ASN B 88 -21.244 -13.657 82.131 1.00 49.22 O ATOM 1902 CB ASN B 88 -19.488 -15.646 84.225 1.00 54.78 C ATOM 1903 CG ASN B 88 -18.390 -14.697 83.786 1.00 50.76 C ATOM 1904 OD1 ASN B 88 -18.631 -13.523 83.504 1.00 47.48 O ATOM 1905 ND2 ASN B 88 -17.167 -15.209 83.726 1.00 54.92 N ATOM 1906 HD22 ASN B 88 -17.008 -16.207 83.973 1.00 0.00 H ATOM 1907 HD21 ASN B 88 -16.367 -14.613 83.432 1.00 0.00 H ATOM 1908 H ASN B 88 -19.277 -15.829 81.607 1.00 0.00 H ATOM 1909 N PRO B 90 -22.202 -13.974 84.161 1.00 44.69 N ATOM 1910 CA PRO B 90 -22.964 -12.717 84.165 1.00 42.26 C ATOM 1911 C PRO B 90 -22.177 -11.488 83.714 1.00 40.39 C ATOM 1912 O PRO B 90 -22.666 -10.716 82.888 1.00 42.39 O ATOM 1913 CB PRO B 90 -23.366 -12.573 85.629 1.00 43.13 C ATOM 1914 CG PRO B 90 -23.541 -13.970 86.086 1.00 47.64 C ATOM 1915 CD PRO B 90 -22.522 -14.796 85.344 1.00 46.84 C ATOM 1916 N CYS B 91 -20.972 -11.314 84.243 1.00 38.08 N ATOM 1917 CA CYS B 91 -20.186 -10.125 83.944 1.00 41.08 C ATOM 1918 C CYS B 91 -19.731 -10.102 82.486 1.00 40.06 C ATOM 1919 O CYS B 91 -19.849 -9.078 81.813 1.00 42.83 O ATOM 1920 CB CYS B 91 -18.977 -10.028 84.875 1.00 41.80 C ATOM 1921 SG CYS B 91 -18.184 -8.404 84.864 1.00 57.90 S ATOM 1922 H CYS B 91 -20.583 -12.038 84.881 1.00 0.00 H ATOM 1923 N LEU B 92 -19.224 -11.230 81.999 1.00 34.47 N ATOM 1924 CA LEU B 92 -18.765 -11.323 80.615 1.00 32.07 C ATOM 1925 C LEU B 92 -19.922 -11.270 79.620 1.00 35.21 C ATOM 1926 O LEU B 92 -19.768 -10.787 78.495 1.00 30.32 O ATOM 1927 CB LEU B 92 -17.966 -12.608 80.401 1.00 31.11 C ATOM 1928 CG LEU B 92 -16.579 -12.667 81.036 1.00 33.98 C ATOM 1929 CD1 LEU B 92 -15.891 -13.961 80.658 1.00 31.08 C ATOM 1930 CD2 LEU B 92 -15.744 -11.464 80.613 1.00 38.34 C ATOM 1931 H LEU B 92 -19.152 -12.064 82.616 1.00 0.00 H ATOM 1932 N LYS B 93 -21.076 -11.785 80.031 1.00 37.37 N ATOM 1933 CA LYS B 93 -22.251 -11.762 79.174 1.00 37.60 C ATOM 1934 C LYS B 93 -22.736 -10.333 78.982 1.00 28.63 C ATOM 1935 O LYS B 93 -23.066 -9.929 77.868 1.00 24.88 O ATOM 1936 CB LYS B 93 -23.373 -12.627 79.754 1.00 37.71 C ATOM 1937 CG LYS B 93 -24.626 -12.684 78.884 1.00 43.90 C ATOM 1938 CD LYS B 93 -24.293 -13.123 77.463 1.00 48.17 C ATOM 1939 CE LYS B 93 -25.548 -13.478 76.675 1.00 50.82 C ATOM 1940 NZ LYS B 93 -26.459 -12.314 76.485 1.00 48.35 N ATOM 1941 HZ1 LYS B 93 -26.758 -11.954 77.414 1.00 0.00 H ATOM 1942 HZ2 LYS B 93 -25.958 -11.565 75.966 1.00 0.00 H ATOM 1943 HZ3 LYS B 93 -27.295 -12.614 75.943 1.00 0.00 H ATOM 1944 H LYS B 93 -21.140 -12.210 80.978 1.00 0.00 H ATOM 1945 N GLU B 94 -22.784 -9.577 80.075 1.00 30.24 N ATOM 1946 CA GLU B 94 -23.209 -8.184 80.019 1.00 34.19 C ATOM 1947 C GLU B 94 -22.196 -7.347 79.244 1.00 33.30 C ATOM 1948 O GLU B 94 -22.562 -6.439 78.493 1.00 30.86 O ATOM 1949 CB GLU B 94 -23.400 -7.620 81.428 1.00 43.50 C ATOM 1950 CG GLU B 94 -23.765 -6.140 81.446 1.00 53.37 C ATOM 1951 CD GLU B 94 -24.960 -5.820 80.570 1.00 54.64 C ATOM 1952 OE1 GLU B 94 -26.048 -6.374 80.832 1.00 62.80 O ATOM 1953 OE2 GLU B 94 -24.811 -5.023 79.617 1.00 47.74 O ATOM 1954 H GLU B 94 -22.512 -9.989 80.990 1.00 0.00 H ATOM 1955 N LEU B 95 -20.919 -7.663 79.436 1.00 30.70 N ATOM 1956 CA LEU B 95 -19.848 -7.000 78.715 1.00 24.37 C ATOM 1957 C LEU B 95 -20.056 -7.162 77.214 1.00 30.21 C ATOM 1958 O LEU B 95 -19.995 -6.191 76.455 1.00 30.28 O ATOM 1959 CB LEU B 95 -18.492 -7.566 79.137 1.00 29.23 C ATOM 1960 CG LEU B 95 -17.275 -7.050 78.370 1.00 31.70 C ATOM 1961 CD1 LEU B 95 -17.205 -5.534 78.453 1.00 25.39 C ATOM 1962 CD2 LEU B 95 -15.996 -7.684 78.901 1.00 28.03 C ATOM 1963 H LEU B 95 -20.681 -8.407 80.123 1.00 0.00 H ATOM 1964 N CYS B 96 -20.319 -8.397 76.799 1.00 32.20 N ATOM 1965 CA CYS B 96 -20.561 -8.703 75.397 1.00 27.30 C ATOM 1966 C CYS B 96 -21.759 -7.910 74.876 1.00 25.55 C ATOM 1967 O CYS B 96 -21.740 -7.404 73.757 1.00 23.15 O ATOM 1968 CB CYS B 96 -20.785 -10.207 75.210 1.00 22.00 C ATOM 1969 SG CYS B 96 -21.047 -10.735 73.503 1.00 29.29 S ATOM 1970 H CYS B 96 -20.353 -9.167 77.497 1.00 0.00 H ATOM 1971 N GLU B 97 -22.800 -7.792 75.692 1.00 30.03 N ATOM 1972 CA GLU B 97 -23.977 -7.032 75.286 1.00 28.14 C ATOM 1973 C GLU B 97 -23.651 -5.540 75.154 1.00 26.93 C ATOM 1974 O GLU B 97 -24.091 -4.894 74.203 1.00 26.04 O ATOM 1975 CB GLU B 97 -25.130 -7.248 76.269 1.00 28.18 C ATOM 1976 CG GLU B 97 -25.655 -8.682 76.325 1.00 29.91 C ATOM 1977 CD GLU B 97 -26.255 -9.159 75.008 1.00 35.42 C ATOM 1978 OE1 GLU B 97 -26.646 -8.315 74.173 1.00 39.30 O ATOM 1979 OE2 GLU B 97 -26.334 -10.390 74.806 1.00 38.80 O ATOM 1980 H GLU B 97 -22.776 -8.245 76.628 1.00 0.00 H ATOM 1981 N CYS B 98 -22.879 -5.000 76.099 1.00 25.36 N ATOM 1982 CA CYS B 98 -22.397 -3.620 75.998 1.00 20.50 C ATOM 1983 C CYS B 98 -21.735 -3.367 74.653 1.00 22.38 C ATOM 1984 O CYS B 98 -22.052 -2.396 73.967 1.00 24.00 O ATOM 1985 CB CYS B 98 -21.397 -3.295 77.108 1.00 20.35 C ATOM 1986 SG CYS B 98 -22.081 -3.163 78.762 1.00 30.72 S ATOM 1987 H CYS B 98 -22.613 -5.572 76.926 1.00 0.00 H ATOM 1988 N ASP B 99 -20.809 -4.252 74.293 1.00 20.68 N ATOM 1989 CA ASP B 99 -20.044 -4.129 73.062 1.00 20.24 C ATOM 1990 C ASP B 99 -20.909 -4.285 71.821 1.00 23.61 C ATOM 1991 O ASP B 99 -20.738 -3.553 70.843 1.00 23.51 O ATOM 1992 CB ASP B 99 -18.910 -5.159 73.029 1.00 25.23 C ATOM 1993 CG ASP B 99 -17.830 -4.877 74.066 1.00 24.78 C ATOM 1994 OD1 ASP B 99 -17.815 -3.769 74.642 1.00 24.30 O ATOM 1995 OD2 ASP B 99 -16.974 -5.757 74.291 1.00 28.93 O ATOM 1996 H ASP B 99 -20.625 -5.064 74.916 1.00 0.00 H ATOM 1997 N LYS B 100 -21.815 -5.260 71.847 1.00 26.10 N ATOM 1998 CA LYS B 100 -22.733 -5.458 70.740 1.00 17.31 C ATOM 1999 C LYS B 100 -23.522 -4.171 70.511 1.00 19.96 C ATOM 2000 O LYS B 100 -23.619 -3.678 69.390 1.00 20.30 O ATOM 2001 CB LYS B 100 -23.678 -6.626 71.018 1.00 28.77 C ATOM 2002 CG LYS B 100 -24.817 -6.740 70.025 1.00 22.18 C ATOM 2003 CD LYS B 100 -25.733 -7.920 70.342 1.00 21.55 C ATOM 2004 CE LYS B 100 -26.913 -7.962 69.383 1.00 22.95 C ATOM 2005 NZ LYS B 100 -27.757 -9.182 69.607 1.00 31.87 N ATOM 2006 HZ1 LYS B 100 -27.179 -10.034 69.458 1.00 0.00 H ATOM 2007 HZ2 LYS B 100 -28.122 -9.175 70.581 1.00 0.00 H ATOM 2008 HZ3 LYS B 100 -28.552 -9.180 68.937 1.00 0.00 H ATOM 2009 H LYS B 100 -21.866 -5.890 72.673 1.00 0.00 H ATOM 2010 N ALA B 101 -24.054 -3.612 71.589 1.00 22.65 N ATOM 2011 CA ALA B 101 -24.885 -2.416 71.490 1.00 33.24 C ATOM 2012 C ALA B 101 -24.118 -1.236 70.874 1.00 29.20 C ATOM 2013 O ALA B 101 -24.648 -0.536 70.010 1.00 22.71 O ATOM 2014 CB ALA B 101 -25.442 -2.040 72.866 1.00 28.99 C ATOM 2015 H ALA B 101 -23.876 -4.034 72.523 1.00 0.00 H ATOM 2016 N VAL B 102 -22.867 -1.027 71.285 1.00 30.08 N ATOM 2017 CA VAL B 102 -22.127 0.120 70.758 1.00 27.09 C ATOM 2018 C VAL B 102 -21.771 -0.115 69.286 1.00 23.58 C ATOM 2019 O VAL B 102 -21.766 0.824 68.494 1.00 22.70 O ATOM 2020 CB VAL B 102 -20.844 0.443 71.585 1.00 24.95 C ATOM 2021 CG1 VAL B 102 -19.764 -0.609 71.389 1.00 21.42 C ATOM 2022 CG2 VAL B 102 -20.311 1.813 71.219 1.00 25.74 C ATOM 2023 H VAL B 102 -22.423 -1.671 71.971 1.00 0.00 H ATOM 2024 N ALA B 103 -21.520 -1.367 68.909 1.00 18.57 N ATOM 2025 CA ALA B 103 -21.182 -1.674 67.525 1.00 17.82 C ATOM 2026 C ALA B 103 -22.360 -1.363 66.609 1.00 19.50 C ATOM 2027 O ALA B 103 -22.197 -0.731 65.566 1.00 24.50 O ATOM 2028 CB ALA B 103 -20.762 -3.133 67.380 1.00 17.83 C ATOM 2029 H ALA B 103 -21.566 -2.134 69.610 1.00 0.00 H ATOM 2030 N ILE B 104 -23.544 -1.820 67.003 1.00 22.32 N ATOM 2031 CA ILE B 104 -24.774 -1.507 66.277 1.00 27.13 C ATOM 2032 C ILE B 104 -24.984 0.001 66.198 1.00 21.82 C ATOM 2033 O ILE B 104 -25.235 0.547 65.129 1.00 24.84 O ATOM 2034 CB ILE B 104 -26.007 -2.153 66.940 1.00 18.59 C ATOM 2035 CG1 ILE B 104 -25.906 -3.677 66.888 1.00 23.97 C ATOM 2036 CG2 ILE B 104 -27.313 -1.670 66.271 1.00 20.73 C ATOM 2037 CD1 ILE B 104 -27.097 -4.389 67.527 1.00 23.81 C ATOM 2038 H ILE B 104 -23.597 -2.418 67.852 1.00 0.00 H ATOM 2039 N CYS B 105 -24.865 0.664 67.341 1.00 19.68 N ATOM 2040 CA CYS B 105 -25.045 2.108 67.422 1.00 25.18 C ATOM 2041 C CYS B 105 -24.064 2.887 66.532 1.00 25.99 C ATOM 2042 O CYS B 105 -24.431 3.894 65.923 1.00 22.50 O ATOM 2043 CB CYS B 105 -24.905 2.559 68.875 1.00 23.68 C ATOM 2044 SG CYS B 105 -25.343 4.275 69.154 1.00 27.26 S ATOM 2045 H CYS B 105 -24.636 0.136 68.207 1.00 0.00 H ATOM 2046 N LEU B 106 -22.815 2.433 66.470 1.00 22.84 N ATOM 2047 CA LEU B 106 -21.831 3.092 65.622 1.00 24.89 C ATOM 2048 C LEU B 106 -22.214 2.944 64.149 1.00 26.79 C ATOM 2049 O LEU B 106 -22.061 3.885 63.360 1.00 19.72 O ATOM 2050 CB LEU B 106 -20.429 2.528 65.872 1.00 26.03 C ATOM 2051 CG LEU B 106 -19.772 2.856 67.219 1.00 25.91 C ATOM 2052 CD1 LEU B 106 -18.434 2.125 67.350 1.00 25.92 C ATOM 2053 CD2 LEU B 106 -19.590 4.356 67.403 1.00 15.69 C ATOM 2054 H LEU B 106 -22.539 1.602 67.031 1.00 0.00 H ATOM 2055 N ARG B 107 -22.722 1.768 63.781 1.00 26.62 N ATOM 2056 CA ARG B 107 -23.138 1.537 62.396 1.00 24.13 C ATOM 2057 C ARG B 107 -24.363 2.373 62.053 1.00 23.53 C ATOM 2058 O ARG B 107 -24.430 2.981 60.987 1.00 22.40 O ATOM 2059 CB ARG B 107 -23.420 0.058 62.147 1.00 19.52 C ATOM 2060 CG ARG B 107 -23.762 -0.278 60.701 1.00 32.71 C ATOM 2061 CD ARG B 107 -25.243 -0.595 60.563 1.00 29.66 C ATOM 2062 NE ARG B 107 -25.623 -1.651 61.494 1.00 29.29 N ATOM 2063 CZ ARG B 107 -26.872 -1.923 61.855 1.00 30.14 C ATOM 2064 NH1 ARG B 107 -27.877 -1.218 61.358 1.00 30.40 N ATOM 2065 NH2 ARG B 107 -27.113 -2.900 62.719 1.00 27.01 N ATOM 2066 HE ARG B 107 -24.863 -2.231 61.904 1.00 0.00 H ATOM 2067 HH12 ARG B 107 -28.854 -1.433 61.642 1.00 0.00 H ATOM 2068 HH11 ARG B 107 -27.689 -0.449 60.683 1.00 0.00 H ATOM 2069 HH22 ARG B 107 -28.090 -3.114 63.003 1.00 0.00 H ATOM 2070 HH21 ARG B 107 -26.325 -3.452 63.113 1.00 0.00 H ATOM 2071 H ARG B 107 -22.824 1.008 64.483 1.00 0.00 H ATOM 2072 N GLU B 108 -25.324 2.417 62.969 1.00 27.05 N ATOM 2073 CA GLU B 108 -26.557 3.177 62.764 1.00 27.22 C ATOM 2074 C GLU B 108 -26.284 4.657 62.524 1.00 25.41 C ATOM 2075 O GLU B 108 -27.076 5.343 61.879 1.00 25.79 O ATOM 2076 CB GLU B 108 -27.490 3.012 63.967 1.00 25.86 C ATOM 2077 CG GLU B 108 -28.211 1.683 63.995 1.00 30.21 C ATOM 2078 CD GLU B 108 -28.873 1.407 65.325 1.00 32.73 C ATOM 2079 OE1 GLU B 108 -28.542 2.108 66.304 1.00 33.06 O ATOM 2080 OE2 GLU B 108 -29.717 0.487 65.390 1.00 35.16 O ATOM 2081 H GLU B 108 -25.196 1.895 63.859 1.00 0.00 H ATOM 2082 N ASN B 109 -25.155 5.145 63.031 1.00 25.99 N ATOM 2083 CA ASN B 109 -24.871 6.573 62.977 1.00 32.57 C ATOM 2084 C ASN B 109 -23.740 6.963 62.037 1.00 31.48 C ATOM 2085 O ASN B 109 -23.224 8.076 62.118 1.00 29.38 O ATOM 2086 CB ASN B 109 -24.567 7.090 64.381 1.00 36.61 C ATOM 2087 CG ASN B 109 -25.794 7.107 65.264 1.00 31.45 C ATOM 2088 OD1 ASN B 109 -26.626 8.007 65.160 1.00 28.94 O ATOM 2089 ND2 ASN B 109 -25.920 6.109 66.133 1.00 25.17 N ATOM 2090 HD22 ASN B 109 -25.190 5.370 66.185 1.00 0.00 H ATOM 2091 HD21 ASN B 109 -26.748 6.067 66.761 1.00 0.00 H ATOM 2092 H ASN B 109 -24.468 4.500 63.471 1.00 0.00 H ATOM 2093 N LEU B 110 -23.376 6.060 61.132 1.00 33.17 N ATOM 2094 CA LEU B 110 -22.344 6.344 60.135 1.00 36.62 C ATOM 2095 C LEU B 110 -22.683 7.581 59.311 1.00 39.03 C ATOM 2096 O LEU B 110 -21.790 8.301 58.858 1.00 36.33 O ATOM 2097 CB LEU B 110 -22.147 5.145 59.210 1.00 31.66 C ATOM 2098 CG LEU B 110 -21.251 4.034 59.752 1.00 27.84 C ATOM 2099 CD1 LEU B 110 -21.375 2.795 58.890 1.00 22.94 C ATOM 2100 CD2 LEU B 110 -19.810 4.515 59.796 1.00 31.88 C ATOM 2101 H LEU B 110 -23.837 5.128 61.133 1.00 0.00 H ATOM 2102 N GLY B 111 -23.978 7.824 59.134 1.00 24.15 N ATOM 2103 CA GLY B 111 -24.453 8.921 58.311 1.00 29.41 C ATOM 2104 C GLY B 111 -24.010 10.296 58.773 1.00 29.73 C ATOM 2105 O GLY B 111 -23.933 11.226 57.970 1.00 30.33 O ATOM 2106 H GLY B 111 -24.674 7.208 59.601 1.00 0.00 H ATOM 2107 N THR B 112 -23.734 10.433 60.066 1.00 24.51 N ATOM 2108 CA THR B 112 -23.237 11.694 60.597 1.00 29.44 C ATOM 2109 C THR B 112 -21.826 11.563 61.178 1.00 24.58 C ATOM 2110 O THR B 112 -21.400 12.404 61.966 1.00 24.30 O ATOM 2111 CB THR B 112 -24.168 12.263 61.686 1.00 30.12 C ATOM 2112 OG1 THR B 112 -24.248 11.344 62.784 1.00 32.07 O ATOM 2113 CG2 THR B 112 -25.567 12.541 61.118 1.00 26.00 C ATOM 2114 HG1 THR B 112 -24.608 10.479 62.463 1.00 0.00 H ATOM 2115 H THR B 112 -23.875 9.627 60.708 1.00 0.00 H ATOM 2116 N TYR B 113 -21.109 10.513 60.794 1.00 24.30 N ATOM 2117 CA TYR B 113 -19.709 10.383 61.194 1.00 23.30 C ATOM 2118 C TYR B 113 -18.907 11.556 60.626 1.00 30.37 C ATOM 2119 O TYR B 113 -18.959 11.828 59.425 1.00 32.19 O ATOM 2120 CB TYR B 113 -19.124 9.048 60.720 1.00 27.63 C ATOM 2121 CG TYR B 113 -17.704 8.793 61.191 1.00 28.38 C ATOM 2122 CD1 TYR B 113 -16.617 9.393 60.558 1.00 24.90 C ATOM 2123 CD2 TYR B 113 -17.452 7.954 62.267 1.00 29.93 C ATOM 2124 CE1 TYR B 113 -15.319 9.171 60.990 1.00 26.36 C ATOM 2125 CE2 TYR B 113 -16.149 7.715 62.704 1.00 30.19 C ATOM 2126 CZ TYR B 113 -15.089 8.331 62.064 1.00 30.23 C ATOM 2127 OH TYR B 113 -13.799 8.100 62.497 1.00 28.13 O ATOM 2128 HH TYR B 113 -13.712 8.388 63.440 1.00 0.00 H ATOM 2129 H TYR B 113 -21.547 9.777 60.204 1.00 0.00 H ATOM 2130 N ASN B 114 -18.167 12.246 61.492 1.00 32.06 N ATOM 2131 CA ASN B 114 -17.378 13.407 61.085 1.00 34.67 C ATOM 2132 C ASN B 114 -15.889 13.206 61.390 1.00 34.26 C ATOM 2133 O ASN B 114 -15.491 13.124 62.552 1.00 29.01 O ATOM 2134 CB ASN B 114 -17.900 14.669 61.779 1.00 30.05 C ATOM 2135 CG ASN B 114 -17.374 15.940 61.155 1.00 39.93 C ATOM 2136 OD1 ASN B 114 -16.344 15.937 60.478 1.00 48.12 O ATOM 2137 ND2 ASN B 114 -18.076 17.046 61.388 1.00 37.32 N ATOM 2138 HD22 ASN B 114 -18.940 17.002 61.965 1.00 0.00 H ATOM 2139 HD21 ASN B 114 -17.761 17.955 60.993 1.00 0.00 H ATOM 2140 H ASN B 114 -18.150 11.950 62.489 1.00 0.00 H ATOM 2141 N LYS B 115 -15.074 13.145 60.343 1.00 32.90 N ATOM 2142 CA LYS B 115 -13.658 12.821 60.492 1.00 36.32 C ATOM 2143 C LYS B 115 -12.861 13.845 61.293 1.00 37.28 C ATOM 2144 O LYS B 115 -11.730 13.563 61.693 1.00 39.66 O ATOM 2145 CB LYS B 115 -13.009 12.645 59.118 1.00 44.11 C ATOM 2146 CG LYS B 115 -13.264 11.282 58.500 1.00 46.77 C ATOM 2147 CD LYS B 115 -12.189 10.910 57.501 1.00 48.08 C ATOM 2148 CE LYS B 115 -12.301 11.718 56.221 1.00 51.03 C ATOM 2149 NZ LYS B 115 -11.279 11.281 55.225 1.00 57.01 N ATOM 2150 HZ1 LYS B 115 -10.328 11.415 55.624 1.00 0.00 H ATOM 2151 HZ2 LYS B 115 -11.423 10.276 55.001 1.00 0.00 H ATOM 2152 HZ3 LYS B 115 -11.376 11.848 54.359 1.00 0.00 H ATOM 2153 H LYS B 115 -15.454 13.333 59.393 1.00 0.00 H ATOM 2154 N LYS B 116 -13.432 15.022 61.534 1.00 34.61 N ATOM 2155 CA LYS B 116 -12.729 16.033 62.322 1.00 43.80 C ATOM 2156 C LYS B 116 -12.677 15.604 63.789 1.00 42.30 C ATOM 2157 O LYS B 116 -11.886 16.125 64.573 1.00 40.36 O ATOM 2158 CB LYS B 116 -13.394 17.407 62.175 1.00 46.49 C ATOM 2159 CG LYS B 116 -14.568 17.662 63.107 1.00 50.39 C ATOM 2160 CD LYS B 116 -15.344 18.897 62.667 1.00 54.33 C ATOM 2161 CE LYS B 116 -16.122 19.508 63.821 1.00 57.08 C ATOM 2162 NZ LYS B 116 -17.101 20.536 63.364 1.00 61.27 N ATOM 2163 HZ1 LYS B 116 -16.595 21.302 62.875 1.00 0.00 H ATOM 2164 HZ2 LYS B 116 -17.783 20.098 62.712 1.00 0.00 H ATOM 2165 HZ3 LYS B 116 -17.606 20.922 64.187 1.00 0.00 H ATOM 2166 H LYS B 116 -14.382 15.224 61.161 1.00 0.00 H ATOM 2167 N TYR B 117 -13.511 14.629 64.138 1.00 37.76 N ATOM 2168 CA TYR B 117 -13.563 14.084 65.492 1.00 33.41 C ATOM 2169 C TYR B 117 -12.708 12.825 65.640 1.00 30.34 C ATOM 2170 O TYR B 117 -12.433 12.377 66.757 1.00 34.07 O ATOM 2171 CB TYR B 117 -15.013 13.770 65.873 1.00 31.11 C ATOM 2172 CG TYR B 117 -15.898 14.995 65.972 1.00 35.17 C ATOM 2173 CD1 TYR B 117 -15.388 16.209 66.410 1.00 40.12 C ATOM 2174 CD2 TYR B 117 -17.245 14.936 65.626 1.00 36.22 C ATOM 2175 CE1 TYR B 117 -16.195 17.332 66.505 1.00 42.39 C ATOM 2176 CE2 TYR B 117 -18.059 16.055 65.717 1.00 35.41 C ATOM 2177 CZ TYR B 117 -17.528 17.248 66.158 1.00 40.37 C ATOM 2178 OH TYR B 117 -18.329 18.364 66.250 1.00 45.36 O ATOM 2179 HH TYR B 117 -17.793 19.127 66.581 1.00 0.00 H ATOM 2180 H TYR B 117 -14.152 14.239 63.418 1.00 0.00 H ATOM 2181 N ARG B 118 -12.286 12.268 64.507 1.00 30.53 N ATOM 2182 CA ARG B 118 -11.576 10.986 64.470 1.00 35.40 C ATOM 2183 C ARG B 118 -10.393 10.916 65.430 1.00 34.73 C ATOM 2184 O ARG B 118 -10.251 9.944 66.160 1.00 31.27 O ATOM 2185 CB ARG B 118 -11.099 10.683 63.049 1.00 38.40 C ATOM 2186 CG ARG B 118 -10.183 9.474 62.941 1.00 37.88 C ATOM 2187 CD ARG B 118 -9.963 9.085 61.492 1.00 33.12 C ATOM 2188 NE ARG B 118 -11.189 8.605 60.874 1.00 33.91 N ATOM 2189 CZ ARG B 118 -11.298 8.279 59.591 1.00 34.37 C ATOM 2190 NH1 ARG B 118 -10.251 8.388 58.787 1.00 31.93 N ATOM 2191 NH2 ARG B 118 -12.454 7.851 59.111 1.00 28.40 N ATOM 2192 HE ARG B 118 -12.033 8.511 61.474 1.00 0.00 H ATOM 2193 HH12 ARG B 118 -10.338 8.132 57.783 1.00 0.00 H ATOM 2194 HH11 ARG B 118 -9.342 8.729 59.160 1.00 0.00 H ATOM 2195 HH22 ARG B 118 -12.537 7.596 58.106 1.00 0.00 H ATOM 2196 HH21 ARG B 118 -13.279 7.769 59.738 1.00 0.00 H ATOM 2197 H ARG B 118 -12.468 12.763 63.611 1.00 0.00 H ATOM 2198 N TYR B 119 -9.550 11.943 65.436 1.00 35.86 N ATOM 2199 CA TYR B 119 -8.434 11.991 66.368 1.00 36.19 C ATOM 2200 C TYR B 119 -8.597 13.152 67.331 1.00 33.77 C ATOM 2201 O TYR B 119 -7.665 13.926 67.548 1.00 34.33 O ATOM 2202 CB TYR B 119 -7.111 12.124 65.618 1.00 36.13 C ATOM 2203 CG TYR B 119 -6.935 11.126 64.505 1.00 33.17 C ATOM 2204 CD1 TYR B 119 -6.704 9.786 64.777 1.00 35.47 C ATOM 2205 CD2 TYR B 119 -7.005 11.525 63.176 1.00 31.32 C ATOM 2206 CE1 TYR B 119 -6.542 8.871 63.752 1.00 32.81 C ATOM 2207 CE2 TYR B 119 -6.845 10.625 62.153 1.00 32.13 C ATOM 2208 CZ TYR B 119 -6.615 9.300 62.441 1.00 31.78 C ATOM 2209 OH TYR B 119 -6.463 8.416 61.397 1.00 31.90 O ATOM 2210 HH TYR B 119 -7.284 8.416 60.844 1.00 0.00 H ATOM 2211 H TYR B 119 -9.690 12.724 64.764 1.00 0.00 H ATOM 2212 N HIS B 120 -9.787 13.266 67.903 1.00 39.23 N ATOM 2213 CA HIS B 120 -10.121 14.376 68.783 1.00 40.42 C ATOM 2214 C HIS B 120 -9.168 14.489 69.971 1.00 41.37 C ATOM 2215 O HIS B 120 -8.792 13.489 70.584 1.00 47.10 O ATOM 2216 CB HIS B 120 -11.560 14.232 69.278 1.00 39.76 C ATOM 2217 CG HIS B 120 -12.094 15.461 69.925 1.00 39.08 C ATOM 2218 ND1 HIS B 120 -12.414 16.600 69.223 1.00 38.58 N ATOM 2219 CD2 HIS B 120 -12.372 15.742 71.230 1.00 39.09 C ATOM 2220 CE1 HIS B 120 -12.863 17.527 70.051 1.00 43.20 C ATOM 2221 NE2 HIS B 120 -12.844 17.020 71.277 1.00 43.36 N ATOM 2222 H HIS B 120 -10.506 12.538 67.717 1.00 0.00 H ATOM 2223 N LEU B 121 -8.767 15.714 70.284 1.00 37.52 N ATOM 2224 CA LEU B 121 -7.922 15.941 71.441 1.00 38.29 C ATOM 2225 C LEU B 121 -8.774 15.917 72.697 1.00 33.71 C ATOM 2226 O LEU B 121 -9.380 16.917 73.073 1.00 42.68 O ATOM 2227 CB LEU B 121 -7.167 17.262 71.318 1.00 40.60 C ATOM 2228 CG LEU B 121 -6.124 17.276 70.203 1.00 44.87 C ATOM 2229 CD1 LEU B 121 -5.226 18.503 70.321 1.00 46.14 C ATOM 2230 CD2 LEU B 121 -5.302 15.993 70.223 1.00 47.54 C ATOM 2231 H LEU B 121 -9.061 16.519 69.695 1.00 0.00 H ATOM 2232 N LYS B 122 -8.805 14.759 73.342 1.00 32.50 N ATOM 2233 CA LYS B 122 -9.703 14.513 74.465 1.00 38.68 C ATOM 2234 C LYS B 122 -9.453 15.316 75.758 1.00 39.01 C ATOM 2235 O LYS B 122 -10.415 15.595 76.477 1.00 33.88 O ATOM 2236 CB LYS B 122 -9.698 13.014 74.782 1.00 38.49 C ATOM 2237 CG LYS B 122 -10.311 12.164 73.665 1.00 31.62 C ATOM 2238 CD LYS B 122 -10.092 10.678 73.903 1.00 35.41 C ATOM 2239 CE LYS B 122 -10.689 9.824 72.776 1.00 32.14 C ATOM 2240 NZ LYS B 122 -12.170 9.779 72.829 1.00 27.38 N ATOM 2241 HZ1 LYS B 122 -12.471 9.371 73.737 1.00 0.00 H ATOM 2242 HZ2 LYS B 122 -12.548 10.743 72.738 1.00 0.00 H ATOM 2243 HZ3 LYS B 122 -12.526 9.191 72.049 1.00 0.00 H ATOM 2244 H LYS B 122 -8.166 13.998 73.036 1.00 0.00 H ATOM 2245 N PRO B 123 -8.188 15.685 76.071 1.00 30.94 N ATOM 2246 CA PRO B 123 -8.023 16.473 77.301 1.00 31.59 C ATOM 2247 C PRO B 123 -8.803 17.794 77.341 1.00 32.63 C ATOM 2248 O PRO B 123 -9.053 18.309 78.430 1.00 33.97 O ATOM 2249 CB PRO B 123 -6.515 16.747 77.331 1.00 39.45 C ATOM 2250 CG PRO B 123 -5.926 15.573 76.666 1.00 36.34 C ATOM 2251 CD PRO B 123 -6.883 15.229 75.554 1.00 33.49 C ATOM 2252 N PHE B 125 -9.188 18.322 76.184 1.00 32.75 N ATOM 2253 CA PHE B 125 -9.890 19.601 76.127 1.00 32.77 C ATOM 2254 C PHE B 125 -11.407 19.418 76.090 1.00 42.21 C ATOM 2255 O PHE B 125 -12.154 20.378 75.880 1.00 47.52 O ATOM 2256 CB PHE B 125 -9.421 20.408 74.912 1.00 34.13 C ATOM 2257 CG PHE B 125 -7.958 20.764 74.951 1.00 34.20 C ATOM 2258 CD1 PHE B 125 -7.005 19.912 74.408 1.00 38.63 C ATOM 2259 CD2 PHE B 125 -7.537 21.950 75.532 1.00 40.23 C ATOM 2260 CE1 PHE B 125 -5.655 20.237 74.444 1.00 42.32 C ATOM 2261 CE2 PHE B 125 -6.188 22.283 75.572 1.00 43.20 C ATOM 2262 CZ PHE B 125 -5.246 21.423 75.028 1.00 41.73 C ATOM 2263 H PHE B 125 -8.985 17.813 75.300 1.00 0.00 H ATOM 2264 N CYS B 126 -11.856 18.182 76.295 1.00 41.50 N ATOM 2265 CA CYS B 126 -13.279 17.882 76.350 1.00 37.93 C ATOM 2266 C CYS B 126 -13.893 18.328 77.672 1.00 41.30 C ATOM 2267 O CYS B 126 -13.273 18.200 78.726 1.00 39.77 O ATOM 2268 CB CYS B 126 -13.521 16.386 76.145 1.00 37.28 C ATOM 2269 SG CYS B 126 -13.252 15.802 74.452 1.00 42.93 S ATOM 2270 H CYS B 126 -11.171 17.409 76.419 1.00 0.00 H ATOM 2271 N LYS B 127 -15.117 18.844 77.607 1.00 43.64 N ATOM 2272 CA LYS B 127 -15.851 19.246 78.803 1.00 42.85 C ATOM 2273 C LYS B 127 -16.311 18.014 79.581 1.00 41.46 C ATOM 2274 O LYS B 127 -16.616 16.976 78.985 1.00 39.46 O ATOM 2275 CB LYS B 127 -17.050 20.124 78.430 1.00 42.42 C ATOM 2276 H LYS B 127 -15.565 18.965 76.676 1.00 0.00 H ATOM 2277 N LYS B 129 -16.356 18.132 80.907 1.00 37.75 N ATOM 2278 CA LYS B 129 -16.729 17.016 81.776 1.00 38.73 C ATOM 2279 C LYS B 129 -18.125 16.466 81.463 1.00 42.71 C ATOM 2280 O LYS B 129 -19.061 17.221 81.174 1.00 42.41 O ATOM 2281 CB LYS B 129 -16.651 17.442 83.246 1.00 36.66 C ATOM 2282 H LYS B 129 -16.118 19.048 81.339 1.00 0.00 H ATOM 2283 N ALA B 130 -18.250 15.144 81.524 1.00 43.76 N ATOM 2284 CA ALA B 130 -19.501 14.467 81.205 1.00 44.10 C ATOM 2285 C ALA B 130 -20.454 14.452 82.395 1.00 40.53 C ATOM 2286 O ALA B 130 -20.034 14.551 83.544 1.00 41.76 O ATOM 2287 CB ALA B 130 -19.223 13.040 80.736 1.00 44.98 C ATOM 2288 H ALA B 130 -17.428 14.574 81.809 1.00 0.00 H ATOM 2289 N ASP B 131 -21.744 14.324 82.117 1.00 44.22 N ATOM 2290 CA ASP B 131 -22.711 14.134 83.186 1.00 53.66 C ATOM 2291 C ASP B 131 -22.458 12.780 83.838 1.00 53.90 C ATOM 2292 O ASP B 131 -21.897 11.888 83.198 1.00 44.69 O ATOM 2293 CB ASP B 131 -24.141 14.184 82.653 1.00 54.81 C ATOM 2294 CG ASP B 131 -24.478 15.494 81.980 1.00 57.92 C ATOM 2295 OD1 ASP B 131 -23.801 16.514 82.236 1.00 55.62 O ATOM 2296 OD2 ASP B 131 -25.438 15.487 81.182 1.00 60.01 O ATOM 2297 H ASP B 131 -22.066 14.360 81.129 1.00 0.00 H ATOM 2298 N PRO B 132 -22.876 12.614 85.105 1.00 57.34 N ATOM 2299 CA PRO B 132 -22.865 11.281 85.718 1.00 56.95 C ATOM 2300 C PRO B 132 -23.767 10.332 84.935 1.00 51.16 C ATOM 2301 O PRO B 132 -24.821 10.764 84.472 1.00 53.19 O ATOM 2302 CB PRO B 132 -23.417 11.529 87.128 1.00 57.62 C ATOM 2303 CG PRO B 132 -23.224 12.988 87.372 1.00 55.04 C ATOM 2304 CD PRO B 132 -23.373 13.644 86.034 1.00 55.22 C ATOM 2305 N CYS B 133 -23.358 9.076 84.778 1.00 47.16 N ATOM 2306 CA CYS B 133 -24.160 8.096 84.046 1.00 48.01 C ATOM 2307 C CYS B 133 -25.543 7.938 84.670 1.00 52.48 C ATOM 2308 O CYS B 133 -25.714 8.118 85.876 1.00 56.76 O ATOM 2309 CB CYS B 133 -23.449 6.742 84.000 1.00 46.04 C ATOM 2310 SG CYS B 133 -21.902 6.749 83.070 1.00 42.02 S ATOM 2311 OXT CYS B 133 -26.522 7.637 83.986 1.00 52.62 O ATOM 2312 H CYS B 133 -22.447 8.784 85.185 1.00 0.00 H TER 2313 CYS B 133 HETATM 2314 O HOH 1 9.911 13.338 56.386 1.00 35.41 O HETATM 2315 O HOH 2 -4.650 4.612 59.756 1.00 44.23 O HETATM 2316 O HOH 3 -1.563 5.780 65.869 1.00 35.16 O HETATM 2317 O HOH 4 0.205 10.475 59.217 1.00 44.27 O HETATM 2318 O HOH 5 10.685 -0.528 80.156 1.00 47.03 O HETATM 2319 O HOH 6 10.809 -7.487 75.271 1.00 51.60 O HETATM 2320 O HOH 7 -3.275 24.157 82.058 1.00 49.31 O HETATM 2321 O HOH 8 16.524 30.470 55.747 1.00 63.58 O HETATM 2322 O HOH 9 -4.736 25.262 77.818 1.00 40.09 O HETATM 2323 O HOH 10 9.846 29.789 59.329 1.00 37.63 O HETATM 2324 O HOH 11 4.452 31.585 77.045 1.00 43.72 O HETATM 2325 O HOH 12 3.254 19.884 75.353 1.00 30.01 O HETATM 2326 O HOH 13 14.608 3.839 62.972 1.00 27.89 O HETATM 2327 O HOH 14 14.207 10.668 58.697 1.00 51.23 O HETATM 2328 O HOH 15 11.531 15.523 57.459 1.00 27.62 O HETATM 2329 O HOH 16 16.877 4.697 66.580 1.00 36.88 O HETATM 2330 O HOH 17 1.890 16.719 75.816 1.00 31.47 O HETATM 2331 O HOH 18 16.414 8.154 85.571 1.00 64.01 O HETATM 2332 O HOH 19 -6.518 14.118 60.686 1.00 44.98 O HETATM 2333 O HOH 20 16.941 22.757 71.825 1.00 33.54 O HETATM 2334 O HOH 21 8.720 7.799 63.125 1.00 20.90 O HETATM 2335 O HOH 22 17.481 17.958 62.877 1.00 53.15 O HETATM 2336 O HOH 23 8.875 -3.752 62.614 1.00 38.34 O HETATM 2337 O HOH 24 7.595 21.503 58.002 1.00 17.02 O HETATM 2338 O HOH 25 12.190 10.879 84.519 1.00 43.82 O HETATM 2339 O HOH 26 15.061 6.676 59.723 1.00 30.17 O HETATM 2340 O HOH 27 8.866 -0.243 59.350 1.00 40.76 O HETATM 2341 O HOH 28 11.432 -6.774 78.842 1.00 49.64 O HETATM 2342 O HOH 29 16.037 4.014 70.516 1.00 25.33 O HETATM 2343 O HOH 30 14.970 19.566 72.923 1.00 28.24 O HETATM 2344 O HOH 31 15.595 13.718 69.946 1.00 27.61 O HETATM 2345 O HOH 32 5.750 -4.089 74.428 1.00 30.88 O HETATM 2346 O HOH 33 20.800 13.140 64.951 1.00 25.90 O HETATM 2347 O HOH 34 1.208 5.169 75.411 1.00 32.74 O HETATM 2348 O HOH 35 7.124 29.776 63.691 1.00 39.99 O HETATM 2349 O HOH 36 17.715 9.054 60.513 1.00 28.05 O HETATM 2350 O HOH 37 5.399 27.161 64.056 1.00 42.89 O HETATM 2351 O HOH 38 5.586 19.556 57.348 1.00 24.29 O HETATM 2352 O HOH 39 11.978 11.899 72.717 1.00 26.24 O HETATM 2353 O HOH 40 4.118 18.937 86.072 1.00 41.08 O HETATM 2354 O HOH 41 4.979 11.260 81.791 1.00 26.21 O HETATM 2355 O HOH 42 9.366 -1.129 63.493 1.00 42.22 O HETATM 2356 O HOH 43 14.355 6.231 69.584 1.00 24.30 O HETATM 2357 O HOH 44 12.576 30.668 59.100 1.00 31.49 O HETATM 2358 O HOH 45 14.857 25.223 71.264 1.00 29.80 O HETATM 2359 O HOH 46 10.291 2.698 64.459 1.00 18.12 O HETATM 2360 O HOH 47 11.128 31.091 69.580 1.00 41.75 O HETATM 2361 O HOH 48 14.609 2.897 80.857 1.00 41.29 O HETATM 2362 O HOH 49 8.212 33.008 75.297 1.00 48.11 O HETATM 2363 O HOH 50 5.207 34.570 71.914 1.00 48.35 O HETATM 2364 O HOH 51 14.131 21.143 65.323 1.00 25.29 O HETATM 2365 O HOH 52 13.205 19.132 79.126 1.00 32.57 O HETATM 2366 O HOH 53 11.416 13.842 74.649 1.00 27.00 O HETATM 2367 O HOH 54 11.884 -3.101 74.186 1.00 31.92 O HETATM 2368 O HOH 55 -1.282 10.363 80.937 1.00 54.47 O HETATM 2369 O HOH 56 3.353 11.151 72.125 1.00 33.61 O HETATM 2370 O HOH 57 9.855 0.912 56.887 1.00 43.32 O HETATM 2371 O HOH 58 -4.734 17.518 81.793 1.00 45.80 O HETATM 2372 O HOH 59 0.909 -6.113 71.705 1.00 52.76 O HETATM 2373 O HOH 60 16.871 22.024 59.195 1.00 37.77 O HETATM 2374 O HOH 61 18.228 15.535 63.225 1.00 36.46 O HETATM 2375 O HOH 62 -0.659 10.838 77.697 1.00 40.21 O HETATM 2376 O HOH 63 12.982 -3.111 70.419 1.00 44.35 O HETATM 2377 O HOH 64 -5.523 -2.249 66.131 1.00 38.13 O HETATM 2378 O HOH 65 2.659 -4.805 73.481 1.00 39.12 O HETATM 2379 O HOH 66 4.822 8.645 60.102 1.00 39.36 O HETATM 2380 O HOH 67 5.608 33.473 75.610 1.00 55.35 O HETATM 2381 O HOH 68 4.630 16.708 84.653 1.00 45.44 O HETATM 2382 O HOH 69 8.077 27.404 85.754 1.00 42.01 O HETATM 2383 O HOH 70 0.162 3.206 80.419 1.00 35.87 O HETATM 2384 O HOH 71 17.614 21.669 62.260 1.00 35.14 O HETATM 2385 O HOH 72 4.664 0.074 57.580 1.00 33.10 O HETATM 2386 O HOH 73 8.862 31.307 70.603 1.00 34.25 O HETATM 2387 O HOH 74 -3.562 6.880 65.587 1.00 59.48 O HETATM 2388 O HOH 75 -4.100 11.490 80.194 1.00 63.91 O HETATM 2389 O HOH 76 14.218 25.923 81.619 1.00 43.65 O HETATM 2390 O HOH 77 5.359 -8.174 72.945 1.00 51.49 O HETATM 2391 O HOH 78 13.820 -1.083 74.640 1.00 40.72 O HETATM 2392 O HOH 79 14.431 7.089 71.857 1.00 25.17 O HETATM 2393 O HOH 80 -5.287 25.962 69.083 1.00 48.69 O HETATM 2394 O HOH 81 17.889 33.450 58.402 1.00 42.77 O HETATM 2395 O HOH 82 -4.126 10.031 79.067 1.00 49.90 O HETATM 2396 O HOH 83 15.081 9.457 86.924 1.00 53.94 O HETATM 2397 O HOH 84 14.488 16.963 76.271 1.00 35.04 O HETATM 2398 O HOH 85 16.794 -2.176 71.026 1.00 23.27 O HETATM 2399 O HOH 86 11.584 34.300 72.730 1.00 49.10 O HETATM 2400 O HOH 87 -2.409 16.726 59.731 1.00 44.95 O HETATM 2401 O HOH 88 -2.513 11.835 75.661 1.00 54.34 O HETATM 2402 O HOH 89 18.088 25.217 73.051 1.00 44.14 O HETATM 2403 O HOH 90 16.224 -1.567 73.859 1.00 30.05 O HETATM 2404 O HOH 91 16.838 22.746 50.643 1.00 30.36 O HETATM 2405 O HOH 92 16.113 18.378 70.814 1.00 27.42 O HETATM 2406 O HOH 93 15.045 11.726 72.038 1.00 25.40 O HETATM 2407 O HOH 94 -5.587 25.733 80.093 1.00 56.17 O HETATM 2408 O HOH 95 5.703 -6.739 59.766 1.00 56.95 O HETATM 2409 O HOH 96 -6.069 16.159 62.729 1.00 48.17 O HETATM 2410 O HOH 97 8.943 33.586 72.313 1.00 50.22 O HETATM 2411 O HOH 98 -2.572 18.024 62.464 1.00 43.40 O HETATM 2412 O HOH 99 16.922 18.333 74.616 1.00 28.90 O HETATM 2413 O HOH 100 18.291 18.370 65.021 1.00 39.88 O HETATM 2414 O HOH 101 16.852 6.914 69.312 1.00 21.27 O HETATM 2415 O HOH 102 7.504 -9.401 74.463 1.00 42.76 O HETATM 2416 O HOH 103 -4.357 15.575 83.484 1.00 48.34 O HETATM 2417 O HOH 104 15.955 5.818 73.614 1.00 21.81 O HETATM 2418 O HOH 105 17.978 4.252 72.251 1.00 21.38 O HETATM 2419 O HOH 106 11.939 10.682 86.814 1.00 54.82 O HETATM 2420 O HOH 107 13.966 14.634 75.847 1.00 28.52 O HETATM 2421 O HOH 108 2.180 -7.923 70.209 1.00 50.77 O HETATM 2422 O HOH 109 16.288 5.446 56.624 1.00 47.72 O HETATM 2423 O HOH 110 11.897 -2.292 64.076 1.00 37.48 O HETATM 2424 O HOH 111 15.351 4.764 75.879 1.00 44.15 O HETATM 2425 O HOH 112 3.158 13.611 81.866 1.00 52.32 O HETATM 2426 O HOH 113 16.436 27.338 80.621 1.00 46.80 O HETATM 2427 O HOH 114 -5.914 24.517 67.314 1.00 53.09 O HETATM 2428 O HOH 115 19.830 21.375 58.526 1.00 44.20 O HETATM 2429 O HOH 116 20.708 24.238 73.316 1.00 54.94 O HETATM 2430 O HOH 117 10.421 -10.506 73.066 1.00 55.75 O HETATM 2431 O HOH 118 12.883 -10.476 73.425 1.00 44.67 O HETATM 2432 O HOH 119 -22.424 21.586 75.020 1.00 49.71 O HETATM 2433 O HOH 120 -7.143 9.229 59.493 1.00 38.38 O HETATM 2434 O HOH 121 -11.939 2.985 59.703 1.00 34.94 O HETATM 2435 O HOH 122 -16.781 22.071 71.914 1.00 42.74 O HETATM 2436 O HOH 123 -26.629 -8.693 81.418 1.00 42.66 O HETATM 2437 O HOH 124 -26.224 9.846 62.937 1.00 20.42 O HETATM 2438 O HOH 125 -14.777 -6.204 75.919 1.00 29.09 O HETATM 2439 O HOH 126 -9.272 13.761 62.206 1.00 39.60 O HETATM 2440 O HOH 127 -10.163 7.422 65.884 1.00 38.32 O HETATM 2441 O HOH 128 -26.644 -5.867 73.411 1.00 35.95 O HETATM 2442 O HOH 129 -26.629 6.920 59.901 1.00 25.01 O HETATM 2443 O HOH 130 -29.267 4.660 60.652 1.00 28.54 O HETATM 2444 O HOH 131 -27.199 -0.117 70.340 1.00 26.75 O HETATM 2445 O HOH 132 -20.335 5.891 63.143 1.00 13.62 O HETATM 2446 O HOH 133 -27.144 -14.427 73.452 1.00 37.92 O HETATM 2447 O HOH 134 -28.760 -8.693 72.578 1.00 30.69 O HETATM 2448 O HOH 135 -29.950 -1.447 63.554 1.00 38.04 O HETATM 2449 O HOH 136 -9.640 14.290 64.149 1.00 50.35 O HETATM 2450 O HOH 137 -12.917 8.836 75.222 1.00 30.21 O HETATM 2451 O HOH 138 -21.987 11.005 64.543 1.00 22.55 O HETATM 2452 O HOH 139 -5.628 -1.058 61.579 1.00 46.28 O HETATM 2453 O HOH 140 -23.743 2.194 72.944 1.00 24.69 O HETATM 2454 O HOH 141 -28.455 8.926 66.937 1.00 40.70 O HETATM 2455 O HOH 142 -8.124 -11.346 81.493 1.00 35.16 O HETATM 2456 O HOH 143 -24.313 -16.855 59.530 1.00 26.99 O HETATM 2457 O HOH 144 -13.155 -13.810 70.810 1.00 65.38 O HETATM 2458 O HOH 145 -23.385 -2.048 57.802 1.00 25.09 O HETATM 2459 O HOH 146 -11.086 3.471 77.631 1.00 41.02 O HETATM 2460 O HOH 147 -13.480 -2.210 75.987 1.00 30.71 O HETATM 2461 O HOH 148 -27.778 -16.211 57.646 1.00 36.76 O HETATM 2462 O HOH 149 -25.816 -7.545 65.582 1.00 17.87 O HETATM 2463 O HOH 150 -17.344 -6.139 57.909 1.00 29.69 O HETATM 2464 O HOH 151 -22.949 -17.118 70.139 1.00 33.73 O HETATM 2465 O HOH 152 -25.976 3.035 58.671 1.00 41.59 O HETATM 2466 O HOH 153 -1.722 -9.110 79.795 1.00 59.44 O HETATM 2467 O HOH 154 -26.490 -11.419 71.751 1.00 25.50 O HETATM 2468 O HOH 155 -23.176 0.016 74.878 1.00 28.30 O HETATM 2469 O HOH 156 -9.543 13.943 59.957 1.00 37.84 O HETATM 2470 O HOH 157 -10.049 -7.372 66.726 1.00 36.93 O HETATM 2471 O HOH 158 -26.108 7.804 69.547 1.00 26.54 O HETATM 2472 O HOH 159 -18.771 -16.338 63.986 1.00 39.88 O HETATM 2473 O HOH 160 -15.704 -14.375 70.702 1.00 54.22 O HETATM 2474 O HOH 161 -26.346 10.988 81.088 1.00 47.20 O HETATM 2475 O HOH 162 -7.299 -2.879 82.645 1.00 50.76 O HETATM 2476 O HOH 163 -7.940 4.015 78.496 1.00 35.03 O HETATM 2477 O HOH 164 -21.223 14.918 63.486 1.00 38.36 O HETATM 2478 O HOH 165 -20.397 17.426 63.111 1.00 44.67 O HETATM 2479 O HOH 166 -27.606 9.737 70.304 1.00 27.36 O HETATM 2480 O HOH 167 -15.241 2.890 72.431 1.00 30.26 O HETATM 2481 O HOH 168 -9.196 -12.576 79.376 1.00 49.58 O HETATM 2482 O HOH 169 -16.181 13.319 82.553 1.00 36.16 O HETATM 2483 O HOH 170 -18.946 10.488 56.797 1.00 37.81 O HETATM 2484 O HOH 171 -16.361 2.834 81.861 1.00 42.64 O HETATM 2485 O HOH 172 -14.097 18.942 73.232 1.00 47.81 O HETATM 2486 O HOH 173 -29.790 -11.046 68.362 1.00 55.42 O HETATM 2487 O HOH 174 -29.368 -8.196 62.724 1.00 38.53 O HETATM 2488 O HOH 175 -15.322 5.490 81.550 1.00 37.35 O HETATM 2489 O HOH 176 -16.626 5.018 60.317 1.00 39.18 O HETATM 2490 O HOH 177 -29.403 -11.722 55.800 1.00 66.20 O HETATM 2491 O HOH 178 -28.737 -8.669 59.467 1.00 48.17 O HETATM 2492 O HOH 179 -10.433 -2.325 69.188 1.00 46.73 O HETATM 2493 O HOH 180 -25.295 15.517 74.100 1.00 39.82 O HETATM 2494 O HOH 181 -16.173 13.654 57.415 1.00 36.01 O HETATM 2495 O HOH 182 -23.855 16.903 74.046 1.00 35.54 O HETATM 2496 O HOH 183 -26.106 6.452 72.108 1.00 28.07 O HETATM 2497 O HOH 184 -18.836 -16.607 62.110 1.00 44.93 O HETATM 2498 O HOH 185 -11.532 -8.875 86.060 1.00 50.81 O HETATM 2499 O HOH 186 -20.256 8.164 86.470 1.00 57.13 O HETATM 2500 O HOH 187 -13.548 1.514 73.833 1.00 40.71 O HETATM 2501 O HOH 188 -6.127 12.464 73.361 1.00 43.68 O HETATM 2502 O HOH 189 -28.481 15.998 70.762 1.00 24.83 O HETATM 2503 O HOH 190 -9.563 -10.244 85.501 1.00 49.50 O HETATM 2504 O HOH 191 -19.671 22.672 74.932 1.00 58.13 O HETATM 2505 O HOH 192 -17.050 10.518 56.729 1.00 57.21 O HETATM 2506 O HOH 193 -4.559 1.854 59.181 1.00 47.13 O HETATM 2507 O HOH 194 -20.980 -17.941 70.903 1.00 38.63 O HETATM 2508 O HOH 195 -28.715 -8.986 51.443 1.00 28.95 O HETATM 2509 O HOH 196 -27.854 15.594 73.680 1.00 23.31 O HETATM 2510 O HOH 197 -29.727 -4.619 64.865 1.00 41.75 O HETATM 2511 O HOH 198 -6.246 17.024 65.700 1.00 50.46 O HETATM 2512 O HOH 199 -24.003 6.046 55.683 1.00 46.24 O HETATM 2513 O HOH 200 -18.346 22.723 73.235 1.00 59.91 O HETATM 2514 O HOH 201 -19.259 9.822 87.448 1.00 65.18 O HETATM 2515 O HOH 202 -26.727 2.158 72.047 1.00 27.83 O HETATM 2516 O HOH 203 -27.803 -4.813 70.959 1.00 35.10 O HETATM 2517 O HOH 204 -18.208 15.389 56.990 1.00 39.29 O HETATM 2518 O HOH 205 -26.719 -2.610 76.233 1.00 53.05 O HETATM 2519 O HOH 206 -5.669 -2.453 63.049 1.00 48.01 O HETATM 2520 O HOH 207 -29.355 13.290 74.483 1.00 27.31 O HETATM 2521 O HOH 208 -12.693 -0.068 75.971 1.00 35.18 O HETATM 2522 O HOH 209 -13.701 15.285 57.064 1.00 52.01 O HETATM 2523 O HOH 210 -28.981 -8.691 82.776 1.00 43.97 O HETATM 2524 O HOH 211 -28.175 -3.917 74.838 1.00 28.44 O HETATM 2525 O HOH 212 -13.687 -13.395 68.799 1.00 39.50 O HETATM 2526 O HOH 213 -26.399 0.341 78.408 1.00 42.61 O HETATM 2527 O HOH 214 -30.278 -11.707 73.570 1.00 58.66 O HETATM 2528 O HOH 215 -21.236 23.780 73.324 1.00 66.14 O HETATM 2529 O HOH 216 -12.023 -0.567 69.494 1.00 47.40 O HETATM 2530 O HOH 217 -29.502 9.620 71.980 1.00 27.31 O HETATM 2531 O HOH 218 -25.667 -0.648 76.008 1.00 23.22 O HETATM 2532 O HOH 219 -1.534 -10.419 77.795 1.00 46.28 O HETATM 2533 O HOH 220 -27.194 5.402 56.961 1.00 50.92 O HETATM 2534 O HOH 221 -23.597 15.777 64.256 1.00 27.52 O HETATM 2535 O HOH 222 -25.500 8.464 54.647 1.00 55.28 O HETATM 2536 O HOH 223 -27.841 8.136 73.674 1.00 26.93 O HETATM 2537 O HOH 224 -27.292 7.552 55.882 1.00 46.37 O HETATM 2538 O HOH 225 -18.143 -18.849 65.659 1.00 48.99 O HETATM 2539 O HOH 226 -4.267 13.017 75.162 1.00 42.86 O HETATM 2540 O HOH 227 -7.355 17.888 62.601 1.00 53.99 O HETATM 2541 C1 DHC A 228 -5.518 4.944 56.115 1.00 0.05 C HETATM 2542 O1 DHC A 228 -6.233 4.121 55.534 1.00 -0.57 O HETATM 2543 C2 DHC A 228 -4.080 5.085 55.774 1.00 -0.03 C HETATM 2544 C3 DHC A 228 -3.563 6.294 55.944 1.00 -0.06 C HETATM 2545 C1' DHC A 228 -2.107 6.486 55.655 1.00 -0.04 C HETATM 2546 C2' DHC A 228 -1.268 5.442 56.040 1.00 -0.03 C HETATM 2547 C3' DHC A 228 0.060 5.598 55.782 1.00 0.12 C HETATM 2548 C4' DHC A 228 0.470 6.753 55.208 1.00 0.12 C HETATM 2549 C5' DHC A 228 -0.337 7.802 54.821 1.00 -0.04 C HETATM 2550 C6' DHC A 228 -1.691 7.680 55.063 1.00 -0.07 C HETATM 2551 H5 DHC A 228 -2.391 8.467 54.808 1.00 0.05 H HETATM 2552 H4 DHC A 228 0.074 8.686 54.347 1.00 0.05 H HETATM 2553 O4' DHC A 228 1.816 6.863 54.966 1.00 -0.33 O HETATM 2554 H6 DHC A 228 2.257 6.081 55.277 1.00 0.25 H HETATM 2555 O3' DHC A 228 0.955 4.601 56.137 1.00 -0.34 O HETATM 2556 H7 DHC A 228 0.481 3.874 56.523 1.00 0.24 H HETATM 2557 H3 DHC A 228 -1.653 4.550 56.521 1.00 0.05 H HETATM 2558 H2 DHC A 228 -4.180 7.124 56.284 1.00 0.07 H HETATM 2559 H1 DHC A 228 -3.487 4.248 55.407 1.00 0.06 H HETATM 2560 O2 DHC A 228 -5.962 5.658 57.009 1.00 -0.57 O CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 239 238 1116 CONECT 257 256 402 CONECT 395 394 898 CONECT 402 257 401 CONECT 455 454 1157 CONECT 462 461 840 CONECT 532 531 775 CONECT 728 727 823 CONECT 775 532 774 CONECT 823 728 822 CONECT 840 462 839 CONECT 898 395 897 CONECT 1116 239 1115 CONECT 1157 455 1156 CONECT 1161 1162 1168 1169 1170 CONECT 1168 1161 CONECT 1169 1161 CONECT 1170 1161 CONECT 1399 1398 2269 CONECT 1417 1416 1562 CONECT 1555 1554 2044 CONECT 1562 1417 1561 CONECT 1615 1614 2310 CONECT 1622 1621 1986 CONECT 1685 1684 1921 CONECT 1874 1873 1969 CONECT 1921 1685 1920 CONECT 1969 1874 1968 CONECT 1986 1622 1985 CONECT 2044 1555 2043 CONECT 2269 1399 2268 CONECT 2310 1615 2309 CONECT 2541 2542 2543 2560 CONECT 2542 2541 CONECT 2543 2541 2544 2559 CONECT 2544 2543 2545 2558 CONECT 2545 2544 2546 2550 CONECT 2546 2545 2547 2557 CONECT 2547 2546 2548 2555 CONECT 2548 2547 2549 2553 CONECT 2549 2548 2550 2552 CONECT 2550 2545 2549 2551 CONECT 2551 2550 CONECT 2552 2549 CONECT 2553 2548 2554 CONECT 2554 2553 CONECT 2555 2547 2556 CONECT 2556 2555 CONECT 2557 2546 CONECT 2558 2544 CONECT 2559 2543 CONECT 2560 2541 MASTER 0 0 0 0 0 0 0 0 2558 2 56 20 END
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Structure:
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Related entries of code: 5vfj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4yv5
RCSB PDB
PDBbind
122aa, >4YV5_1|Chains... *
5vfm
RCSB PDB
PDBbind
121aa, >5VFM_1|Chains... at 95%
5vfn
RCSB PDB
PDBbind
121aa, >5VFN_1|Chains... at 95%
6dik
RCSB PDB
PDBbind
121aa, >6DIK_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5vfj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Basic phospholipase A2 homolog BnSP-7
Ligand Name
DHC
EC.Number
E.C.-.-.-.-
Resolution
2.08(Å)
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochimie Vol. 142: pp. 11-21
Ligand Properties
Formula
C
9
H
8
O
4
Molecular Weight
180.157
Exact Mass
180.042
No. of atoms
21
No. of bonds
21
Polar Surface Area
77.76
LOGP Value
2.47 (
Computed with XLOGP3
)
1.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
OC(=O)/C=C/c1ccc(c(c1)O)O
InChI String
InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9IAT9
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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