Browse entries in the PDBbind-CN Database
HEADER 4PID_COMPLEX COMPND 4PID_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 204 MET GLY SER SER GLU GLN GLU LEU LYS ALA ILE VAL LYS SEQRES 2 A 204 ASP LEU GLY CYS GLY PRO TYR PHE LEU GLY THR TYR ASP SEQRES 3 A 204 LYS ARG PHE PRO GLY PHE VAL SER PRO HIS LYS LEU ALA SEQRES 4 A 204 CYS ALA ILE VAL ASN THR ALA GLY ARG GLU THR GLY GLY SEQRES 5 A 204 VAL HIS TRP MET ALA PHE ALA TRP ASN PRO ARG SER LYS SEQRES 6 A 204 THR CYS TYR LEU PHE GLU PRO PHE GLY PHE SER ASP GLN SEQRES 7 A 204 ARG LEU LYS GLN VAL TYR GLN PHE GLU TYR GLU SER LEU SEQRES 8 A 204 LEU ARG ARG SER ALA ILE ALA SER SER PRO ASP ARG CYS SEQRES 9 A 204 ILE THR LEU GLU LYS SER THR GLN SER VAL GLN GLY PRO SEQRES 10 A 204 ASN SER ALA ALA CYS GLY LEU PHE CYS CYS MET PHE LEU SEQRES 11 A 204 HIS ALA PHE ALA ASN TRP PRO GLN THR PRO MET ASP HIS SEQRES 12 A 204 ASN PRO THR MET ASN LEU ILE THR GLY VAL PRO ASN SER SEQRES 13 A 204 MET LEU ASN SER PRO GLN VAL GLN PRO THR LEU ARG ARG SEQRES 14 A 204 ASN GLN GLU GLN LEU TYR SER PHE LEU GLU ARG HIS SER SEQRES 15 A 204 PRO TYR PHE ARG SER HIS SER ALA GLN ILE ARG SER ALA SEQRES 16 A 204 THR SER PHE CYS HIS LEU LYS ASN MET HET UNN A 356 30 ATOM 1 N MET A 1 -31.019 53.585 40.069 1.00 42.57 N ATOM 2 CA MET A 1 -29.761 54.057 40.722 1.00 41.28 C ATOM 3 C MET A 1 -28.529 53.893 39.783 1.00 38.39 C ATOM 4 O MET A 1 -28.648 53.247 38.692 1.00 39.13 O ATOM 5 CB MET A 1 -29.640 53.470 42.137 1.00 41.93 C ATOM 6 CG MET A 1 -30.401 54.341 43.260 1.00 48.16 C ATOM 7 SD MET A 1 -31.642 55.711 42.861 1.00 56.09 S ATOM 8 CE MET A 1 -31.605 57.099 44.146 1.00 44.76 C ATOM 9 HN3 MET A 1 -30.925 52.579 39.824 1.00 0.00 H ATOM 10 HN2 MET A 1 -31.189 54.139 39.205 1.00 0.00 H ATOM 11 HN1 MET A 1 -31.817 53.710 40.725 1.00 0.00 H ATOM 12 N GLY A 2 -27.387 54.516 40.126 1.00 25.27 N ATOM 13 CA GLY A 2 -26.394 54.754 39.067 1.00 23.93 C ATOM 14 C GLY A 2 -26.818 55.849 38.084 1.00 20.76 C ATOM 15 O GLY A 2 -27.672 56.704 38.423 1.00 21.70 O ATOM 16 H GLY A 2 -27.212 54.819 41.106 1.00 0.00 H ATOM 17 N SER A 3 -26.243 55.776 36.865 1.00 16.39 N ATOM 18 CA SER A 3 -26.594 56.826 35.866 1.00 15.13 C ATOM 19 C SER A 3 -27.193 56.137 34.617 1.00 15.89 C ATOM 20 O SER A 3 -26.631 55.124 34.105 1.00 17.21 O ATOM 21 CB SER A 3 -25.295 57.520 35.295 1.00 17.30 C ATOM 22 OG SER A 3 -24.729 58.243 36.397 1.00 18.75 O ATOM 23 HG SER A 3 -25.383 58.911 36.722 1.00 0.00 H ATOM 24 H SER A 3 -25.577 55.013 36.630 1.00 0.00 H ATOM 25 N SER A 4 -28.266 56.727 34.100 1.00 16.04 N ATOM 26 CA SER A 4 -28.771 56.198 32.861 1.00 17.73 C ATOM 27 C SER A 4 -28.037 56.681 31.619 1.00 17.24 C ATOM 28 O SER A 4 -27.284 57.710 31.642 1.00 16.02 O ATOM 29 CB SER A 4 -30.226 56.724 32.704 1.00 17.37 C ATOM 30 OG SER A 4 -30.252 58.175 32.421 1.00 20.39 O ATOM 31 HG SER A 4 -29.761 58.355 31.580 1.00 0.00 H ATOM 32 H SER A 4 -28.721 57.536 34.570 1.00 0.00 H ATOM 33 N GLU A 5 -28.327 56.055 30.463 1.00 15.65 N ATOM 34 CA GLU A 5 -27.716 56.521 29.212 1.00 17.32 C ATOM 35 C GLU A 5 -28.085 57.907 28.915 1.00 16.66 C ATOM 36 O GLU A 5 -27.227 58.682 28.389 1.00 16.53 O ATOM 37 CB GLU A 5 -28.152 55.667 27.959 1.00 18.75 C ATOM 38 CG GLU A 5 -27.643 54.355 27.975 1.00 20.44 C ATOM 39 CD GLU A 5 -28.114 53.719 26.699 1.00 20.98 C ATOM 40 OE1 GLU A 5 -29.263 53.155 26.742 1.00 21.02 O ATOM 41 OE2 GLU A 5 -27.490 53.804 25.651 1.00 19.67 O ATOM 42 H GLU A 5 -28.980 55.246 30.456 1.00 0.00 H ATOM 43 N GLN A 6 -29.355 58.336 29.137 1.00 17.16 N ATOM 44 CA GLN A 6 -29.780 59.668 28.776 1.00 18.72 C ATOM 45 C GLN A 6 -29.014 60.730 29.581 1.00 15.29 C ATOM 46 O GLN A 6 -28.676 61.777 29.040 1.00 16.63 O ATOM 47 CB GLN A 6 -31.333 59.850 28.881 1.00 22.92 C ATOM 48 CG GLN A 6 -31.835 60.110 30.207 1.00 36.86 C ATOM 49 CD GLN A 6 -32.848 61.274 30.178 1.00 49.92 C ATOM 50 OE1 GLN A 6 -33.987 61.099 29.689 1.00 46.26 O ATOM 51 NE2 GLN A 6 -32.412 62.492 30.671 1.00 51.06 N ATOM 52 HE22 GLN A 6 -31.454 62.580 31.067 1.00 0.00 H ATOM 53 HE21 GLN A 6 -33.042 63.319 30.646 1.00 0.00 H ATOM 54 H GLN A 6 -30.039 57.688 29.578 1.00 0.00 H ATOM 55 N GLU A 7 -28.785 60.395 30.868 1.00 14.84 N ATOM 56 CA GLU A 7 -28.012 61.260 31.758 1.00 13.15 C ATOM 57 C GLU A 7 -26.573 61.467 31.212 1.00 14.38 C ATOM 58 O GLU A 7 -26.120 62.613 31.085 1.00 14.98 O ATOM 59 CB GLU A 7 -27.882 60.601 33.089 1.00 10.60 C ATOM 60 CG GLU A 7 -27.059 61.432 34.134 1.00 9.71 C ATOM 61 CD GLU A 7 -27.236 60.916 35.536 1.00 13.50 C ATOM 62 OE1 GLU A 7 -28.387 61.052 36.024 1.00 20.96 O ATOM 63 OE2 GLU A 7 -26.279 60.418 36.161 1.00 14.62 O ATOM 64 H GLU A 7 -29.167 59.500 31.236 1.00 0.00 H ATOM 65 N LEU A 8 -25.964 60.360 30.903 1.00 13.92 N ATOM 66 CA LEU A 8 -24.517 60.438 30.462 1.00 13.78 C ATOM 67 C LEU A 8 -24.413 61.124 29.128 1.00 15.16 C ATOM 68 O LEU A 8 -23.524 61.954 28.903 1.00 12.64 O ATOM 69 CB LEU A 8 -23.968 59.044 30.398 1.00 12.04 C ATOM 70 CG LEU A 8 -23.917 58.208 31.669 1.00 14.18 C ATOM 71 CD1 LEU A 8 -23.297 56.836 31.432 1.00 17.92 C ATOM 72 CD2 LEU A 8 -23.257 59.015 32.800 1.00 15.52 C ATOM 73 H LEU A 8 -26.457 59.446 30.957 1.00 0.00 H ATOM 74 N LYS A 9 -25.353 60.878 28.180 1.00 15.16 N ATOM 75 CA LYS A 9 -25.301 61.615 26.912 1.00 14.57 C ATOM 76 C LYS A 9 -25.474 63.112 27.095 1.00 14.31 C ATOM 77 O LYS A 9 -24.778 63.898 26.375 1.00 14.43 O ATOM 78 CB LYS A 9 -26.465 61.086 26.001 1.00 16.52 C ATOM 79 CG LYS A 9 -26.061 59.674 25.538 1.00 17.75 C ATOM 80 CD LYS A 9 -27.342 58.973 24.936 1.00 28.54 C ATOM 81 CE LYS A 9 -27.603 59.379 23.595 1.00 33.61 C ATOM 82 NZ LYS A 9 -28.237 57.994 23.181 1.00 40.17 N ATOM 83 HZ1 LYS A 9 -27.533 57.240 23.310 1.00 0.00 H ATOM 84 HZ2 LYS A 9 -29.066 57.801 23.778 1.00 0.00 H ATOM 85 HZ3 LYS A 9 -28.528 58.032 22.183 1.00 0.00 H ATOM 86 H LYS A 9 -26.101 60.176 28.350 1.00 0.00 H ATOM 87 N ALA A 10 -26.373 63.559 28.005 1.00 12.85 N ATOM 88 CA ALA A 10 -26.553 64.958 28.181 1.00 14.77 C ATOM 89 C ALA A 10 -25.255 65.610 28.771 1.00 13.86 C ATOM 90 O ALA A 10 -24.909 66.720 28.419 1.00 15.54 O ATOM 91 CB ALA A 10 -27.788 65.260 29.116 1.00 15.47 C ATOM 92 H ALA A 10 -26.927 62.884 28.570 1.00 0.00 H ATOM 93 N ILE A 11 -24.704 64.900 29.771 1.00 13.02 N ATOM 94 CA ILE A 11 -23.491 65.468 30.403 1.00 11.16 C ATOM 95 C ILE A 11 -22.355 65.511 29.411 1.00 11.46 C ATOM 96 O ILE A 11 -21.632 66.553 29.403 1.00 12.20 O ATOM 97 CB ILE A 11 -23.195 64.675 31.658 1.00 12.28 C ATOM 98 CG1 ILE A 11 -24.317 64.943 32.736 1.00 13.48 C ATOM 99 CG2 ILE A 11 -21.802 65.111 32.258 1.00 12.93 C ATOM 100 CD1 ILE A 11 -24.221 64.028 34.013 1.00 15.40 C ATOM 101 H ILE A 11 -25.110 63.996 30.086 1.00 0.00 H ATOM 102 N VAL A 12 -22.106 64.428 28.683 1.00 12.97 N ATOM 103 CA VAL A 12 -20.983 64.512 27.724 1.00 11.85 C ATOM 104 C VAL A 12 -21.133 65.610 26.728 1.00 13.92 C ATOM 105 O VAL A 12 -20.152 66.302 26.381 1.00 14.46 O ATOM 106 CB VAL A 12 -20.764 63.096 27.053 1.00 14.66 C ATOM 107 CG1 VAL A 12 -19.801 63.155 25.917 1.00 21.07 C ATOM 108 CG2 VAL A 12 -20.239 62.070 28.153 1.00 15.60 C ATOM 109 H VAL A 12 -22.674 63.562 28.783 1.00 0.00 H ATOM 110 N LYS A 13 -22.368 65.851 26.239 1.00 14.77 N ATOM 111 CA LYS A 13 -22.584 66.979 25.348 1.00 16.00 C ATOM 112 C LYS A 13 -22.283 68.309 26.040 1.00 15.32 C ATOM 113 O LYS A 13 -21.643 69.162 25.435 1.00 16.88 O ATOM 114 CB LYS A 13 -24.104 66.953 24.904 1.00 18.03 C ATOM 115 CG LYS A 13 -24.403 68.086 23.912 1.00 23.65 C ATOM 116 CD LYS A 13 -25.896 67.891 23.464 1.00 34.11 C ATOM 117 CE LYS A 13 -26.412 69.189 22.814 1.00 45.93 C ATOM 118 NZ LYS A 13 -26.763 68.896 21.394 1.00 51.15 N ATOM 119 HZ1 LYS A 13 -25.918 68.557 20.892 1.00 0.00 H ATOM 120 HZ2 LYS A 13 -27.501 68.164 21.365 1.00 0.00 H ATOM 121 HZ3 LYS A 13 -27.114 69.763 20.939 1.00 0.00 H ATOM 122 H LYS A 13 -23.162 65.232 26.499 1.00 0.00 H ATOM 123 N ASP A 14 -22.688 68.489 27.280 1.00 14.16 N ATOM 124 CA ASP A 14 -22.389 69.721 28.047 1.00 15.49 C ATOM 125 C ASP A 14 -20.855 69.962 28.155 1.00 14.85 C ATOM 126 O ASP A 14 -20.399 71.090 28.141 1.00 15.99 O ATOM 127 CB ASP A 14 -22.884 69.591 29.431 1.00 15.65 C ATOM 128 CG ASP A 14 -24.393 69.876 29.568 1.00 20.54 C ATOM 129 OD1 ASP A 14 -25.065 70.362 28.606 1.00 20.18 O ATOM 130 OD2 ASP A 14 -24.854 69.662 30.690 1.00 18.01 O ATOM 131 H ASP A 14 -23.240 67.736 27.739 1.00 0.00 H ATOM 132 N LEU A 15 -20.134 68.847 28.236 1.00 14.54 N ATOM 133 CA LEU A 15 -18.672 68.973 28.512 1.00 13.33 C ATOM 134 C LEU A 15 -17.943 69.275 27.248 1.00 15.24 C ATOM 135 O LEU A 15 -16.731 69.409 27.268 1.00 16.68 O ATOM 136 CB LEU A 15 -18.148 67.683 29.159 1.00 11.82 C ATOM 137 CG LEU A 15 -18.674 67.428 30.563 1.00 12.99 C ATOM 138 CD1 LEU A 15 -18.257 66.055 31.136 1.00 12.17 C ATOM 139 CD2 LEU A 15 -18.352 68.489 31.504 1.00 17.72 C ATOM 140 H LEU A 15 -20.576 67.914 28.111 1.00 0.00 H ATOM 141 N GLY A 16 -18.588 69.356 26.074 1.00 15.23 N ATOM 142 CA GLY A 16 -17.898 69.737 24.850 1.00 15.88 C ATOM 143 C GLY A 16 -17.366 68.551 24.079 1.00 17.57 C ATOM 144 O GLY A 16 -16.557 68.733 23.112 1.00 19.34 O ATOM 145 H GLY A 16 -19.605 69.141 26.038 1.00 0.00 H ATOM 146 N CYS A 17 -17.803 67.320 24.395 1.00 15.79 N ATOM 147 CA CYS A 17 -17.310 66.106 23.748 1.00 14.72 C ATOM 148 C CYS A 17 -18.067 65.734 22.531 1.00 16.35 C ATOM 149 O CYS A 17 -17.680 64.790 21.822 1.00 18.51 O ATOM 150 CB CYS A 17 -17.528 64.960 24.720 1.00 15.10 C ATOM 151 SG CYS A 17 -16.517 65.178 26.213 1.00 13.24 S ATOM 152 H CYS A 17 -18.527 67.227 25.136 1.00 0.00 H ATOM 153 N GLY A 18 -19.177 66.456 22.283 1.00 17.05 N ATOM 154 CA GLY A 18 -20.078 66.138 21.169 1.00 20.16 C ATOM 155 C GLY A 18 -19.431 65.920 19.786 1.00 19.56 C ATOM 156 O GLY A 18 -19.807 64.916 19.118 1.00 20.83 O ATOM 157 H GLY A 18 -19.402 67.263 22.899 1.00 0.00 H ATOM 158 N PRO A 19 -18.384 66.680 19.415 1.00 19.78 N ATOM 159 CA PRO A 19 -17.767 66.450 18.097 1.00 19.84 C ATOM 160 C PRO A 19 -17.119 65.078 17.967 1.00 18.96 C ATOM 161 O PRO A 19 -16.896 64.553 16.864 1.00 19.94 O ATOM 162 CB PRO A 19 -16.717 67.564 17.981 1.00 20.64 C ATOM 163 CG PRO A 19 -17.379 68.647 18.782 1.00 25.40 C ATOM 164 CD PRO A 19 -17.880 67.907 20.001 1.00 20.75 C ATOM 165 N TYR A 20 -16.772 64.460 19.100 1.00 14.65 N ATOM 166 CA TYR A 20 -16.029 63.167 18.981 1.00 13.43 C ATOM 167 C TYR A 20 -16.830 62.012 19.594 1.00 13.50 C ATOM 168 O TYR A 20 -16.421 60.883 19.463 1.00 15.62 O ATOM 169 CB TYR A 20 -14.782 63.301 19.909 1.00 13.93 C ATOM 170 CG TYR A 20 -13.989 64.557 19.726 1.00 17.41 C ATOM 171 CD1 TYR A 20 -13.578 64.898 18.485 1.00 18.56 C ATOM 172 CD2 TYR A 20 -13.824 65.404 20.807 1.00 25.85 C ATOM 173 CE1 TYR A 20 -12.852 66.160 18.288 1.00 19.74 C ATOM 174 CE2 TYR A 20 -13.149 66.610 20.652 1.00 27.80 C ATOM 175 CZ TYR A 20 -12.685 66.932 19.414 1.00 23.82 C ATOM 176 OH TYR A 20 -11.985 68.143 19.283 1.00 26.73 O ATOM 177 HH TYR A 20 -11.187 68.126 19.868 1.00 0.00 H ATOM 178 H TYR A 20 -17.009 64.863 20.029 1.00 0.00 H ATOM 179 N PHE A 21 -17.944 62.274 20.260 1.00 12.91 N ATOM 180 CA PHE A 21 -18.622 61.189 21.001 1.00 14.67 C ATOM 181 C PHE A 21 -19.552 60.370 20.150 1.00 15.75 C ATOM 182 O PHE A 21 -20.548 60.934 19.548 1.00 16.68 O ATOM 183 CB PHE A 21 -19.415 61.868 22.114 1.00 13.97 C ATOM 184 CG PHE A 21 -20.063 60.898 23.086 1.00 15.18 C ATOM 185 CD1 PHE A 21 -19.314 60.015 23.814 1.00 12.49 C ATOM 186 CD2 PHE A 21 -21.416 61.029 23.361 1.00 17.31 C ATOM 187 CE1 PHE A 21 -19.915 59.149 24.777 1.00 14.95 C ATOM 188 CE2 PHE A 21 -22.013 60.178 24.320 1.00 18.43 C ATOM 189 CZ PHE A 21 -21.255 59.289 25.012 1.00 15.82 C ATOM 190 H PHE A 21 -18.339 63.236 20.262 1.00 0.00 H ATOM 191 N LEU A 22 -19.326 59.060 20.161 1.00 12.50 N ATOM 192 CA LEU A 22 -20.147 58.130 19.340 1.00 13.52 C ATOM 193 C LEU A 22 -21.439 57.827 20.042 1.00 15.75 C ATOM 194 O LEU A 22 -22.424 57.449 19.350 1.00 18.98 O ATOM 195 CB LEU A 22 -19.409 56.841 19.039 1.00 13.41 C ATOM 196 CG LEU A 22 -18.057 57.004 18.265 1.00 16.42 C ATOM 197 CD1 LEU A 22 -17.357 55.692 18.205 1.00 16.66 C ATOM 198 CD2 LEU A 22 -18.334 57.589 16.861 1.00 19.88 C ATOM 199 H LEU A 22 -18.562 58.679 20.754 1.00 0.00 H ATOM 200 N GLY A 23 -21.470 57.895 21.348 1.00 15.09 N ATOM 201 CA GLY A 23 -22.659 57.520 22.140 1.00 15.50 C ATOM 202 C GLY A 23 -22.361 56.587 23.241 1.00 14.61 C ATOM 203 O GLY A 23 -21.211 56.241 23.497 1.00 13.06 O ATOM 204 H GLY A 23 -20.622 58.227 21.850 1.00 0.00 H ATOM 205 N THR A 24 -23.463 56.057 23.844 1.00 13.67 N ATOM 206 CA THR A 24 -23.430 55.034 24.864 1.00 12.05 C ATOM 207 C THR A 24 -23.766 53.679 24.246 1.00 13.89 C ATOM 208 O THR A 24 -24.674 53.629 23.335 1.00 16.04 O ATOM 209 CB THR A 24 -24.410 55.333 26.029 1.00 15.08 C ATOM 210 OG1 THR A 24 -25.707 55.697 25.446 1.00 14.95 O ATOM 211 CG2 THR A 24 -23.926 56.558 26.814 1.00 16.15 C ATOM 212 HG1 THR A 24 -26.044 54.944 24.899 1.00 0.00 H ATOM 213 H THR A 24 -24.394 56.415 23.549 1.00 0.00 H ATOM 214 N TYR A 25 -23.097 52.653 24.705 1.00 11.72 N ATOM 215 CA TYR A 25 -23.206 51.320 24.107 1.00 12.93 C ATOM 216 C TYR A 25 -23.234 50.306 25.182 1.00 12.01 C ATOM 217 O TYR A 25 -22.715 50.538 26.319 1.00 13.25 O ATOM 218 CB TYR A 25 -21.987 51.003 23.215 1.00 12.62 C ATOM 219 CG TYR A 25 -21.950 51.832 21.991 1.00 13.13 C ATOM 220 CD1 TYR A 25 -21.392 53.117 22.008 1.00 14.46 C ATOM 221 CD2 TYR A 25 -22.395 51.310 20.742 1.00 18.05 C ATOM 222 CE1 TYR A 25 -21.322 53.935 20.843 1.00 17.24 C ATOM 223 CE2 TYR A 25 -22.307 52.086 19.592 1.00 19.39 C ATOM 224 CZ TYR A 25 -21.766 53.398 19.655 1.00 19.75 C ATOM 225 OH TYR A 25 -21.604 54.197 18.555 1.00 23.48 O ATOM 226 HH TYR A 25 -20.999 53.751 17.911 1.00 0.00 H ATOM 227 H TYR A 25 -22.467 52.788 25.521 1.00 0.00 H ATOM 228 N ASP A 26 -23.795 49.110 24.918 1.00 11.98 N ATOM 229 CA ASP A 26 -23.500 47.967 25.765 1.00 13.07 C ATOM 230 C ASP A 26 -22.240 47.290 25.434 1.00 12.66 C ATOM 231 O ASP A 26 -21.381 47.837 24.662 1.00 13.65 O ATOM 232 CB ASP A 26 -24.754 46.976 25.762 1.00 13.33 C ATOM 233 CG ASP A 26 -24.831 46.194 24.484 1.00 16.70 C ATOM 234 OD1 ASP A 26 -24.057 46.343 23.486 1.00 15.38 O ATOM 235 OD2 ASP A 26 -25.832 45.364 24.471 1.00 16.84 O ATOM 236 H ASP A 26 -24.439 49.005 24.108 1.00 0.00 H ATOM 237 N LYS A 27 -22.015 46.112 25.962 1.00 13.08 N ATOM 238 CA LYS A 27 -20.733 45.417 25.811 1.00 13.71 C ATOM 239 C LYS A 27 -20.403 45.058 24.347 1.00 13.09 C ATOM 240 O LYS A 27 -19.299 44.660 24.091 1.00 16.21 O ATOM 241 CB LYS A 27 -20.676 44.167 26.679 1.00 14.44 C ATOM 242 CG LYS A 27 -21.686 43.040 26.197 1.00 16.99 C ATOM 243 CD LYS A 27 -21.574 41.855 27.170 1.00 18.47 C ATOM 244 CE LYS A 27 -22.634 40.901 26.514 1.00 27.37 C ATOM 245 NZ LYS A 27 -22.667 39.637 27.343 1.00 35.74 N ATOM 246 HZ1 LYS A 27 -21.725 39.197 27.340 1.00 0.00 H ATOM 247 HZ2 LYS A 27 -22.938 39.871 28.319 1.00 0.00 H ATOM 248 HZ3 LYS A 27 -23.361 38.976 26.938 1.00 0.00 H ATOM 249 H LYS A 27 -22.773 45.654 26.508 1.00 0.00 H ATOM 250 N ARG A 28 -21.436 45.084 23.463 1.00 14.84 N ATOM 251 CA ARG A 28 -21.210 44.799 22.039 1.00 15.00 C ATOM 252 C ARG A 28 -20.651 45.984 21.274 1.00 17.78 C ATOM 253 O ARG A 28 -20.548 45.878 20.058 1.00 17.88 O ATOM 254 CB ARG A 28 -22.575 44.321 21.358 1.00 17.50 C ATOM 255 CG ARG A 28 -23.083 43.147 22.131 1.00 20.93 C ATOM 256 CD ARG A 28 -24.522 42.968 21.617 1.00 25.85 C ATOM 257 NE ARG A 28 -25.057 41.690 22.019 1.00 33.84 N ATOM 258 CZ ARG A 28 -25.814 41.512 23.107 1.00 38.16 C ATOM 259 NH1 ARG A 28 -26.283 40.294 23.375 1.00 39.89 N ATOM 260 NH2 ARG A 28 -26.138 42.538 23.908 1.00 29.56 N ATOM 261 HE ARG A 28 -24.842 40.861 21.430 1.00 0.00 H ATOM 262 HH12 ARG A 28 -26.873 40.138 24.217 1.00 0.00 H ATOM 263 HH11 ARG A 28 -26.059 39.500 22.742 1.00 0.00 H ATOM 264 HH22 ARG A 28 -26.728 42.375 24.749 1.00 0.00 H ATOM 265 HH21 ARG A 28 -25.799 43.496 23.688 1.00 0.00 H ATOM 266 H ARG A 28 -22.395 45.308 23.798 1.00 0.00 H ATOM 267 N PHE A 29 -20.234 47.107 21.941 1.00 14.44 N ATOM 268 CA PHE A 29 -19.686 48.178 21.117 1.00 14.94 C ATOM 269 C PHE A 29 -18.697 47.602 20.109 1.00 14.94 C ATOM 270 O PHE A 29 -17.777 46.877 20.480 1.00 16.19 O ATOM 271 CB PHE A 29 -18.897 49.090 22.153 1.00 13.30 C ATOM 272 CG PHE A 29 -18.070 50.191 21.462 1.00 13.81 C ATOM 273 CD1 PHE A 29 -18.658 51.102 20.615 1.00 16.27 C ATOM 274 CD2 PHE A 29 -16.689 50.235 21.823 1.00 16.62 C ATOM 275 CE1 PHE A 29 -17.874 52.136 19.956 1.00 19.15 C ATOM 276 CE2 PHE A 29 -15.931 51.296 21.210 1.00 17.15 C ATOM 277 CZ PHE A 29 -16.492 52.169 20.289 1.00 19.00 C ATOM 278 H PHE A 29 -20.304 47.190 22.975 1.00 0.00 H ATOM 279 N PRO A 30 -18.842 48.016 18.828 1.00 16.88 N ATOM 280 CA PRO A 30 -18.042 47.280 17.846 1.00 18.12 C ATOM 281 C PRO A 30 -16.559 47.760 17.739 1.00 18.76 C ATOM 282 O PRO A 30 -15.715 46.968 17.313 1.00 20.93 O ATOM 283 CB PRO A 30 -18.721 47.627 16.524 1.00 19.27 C ATOM 284 CG PRO A 30 -19.695 48.608 16.726 1.00 25.36 C ATOM 285 CD PRO A 30 -19.987 48.723 18.250 1.00 18.20 C ATOM 286 N GLY A 31 -16.300 48.917 18.322 1.00 17.94 N ATOM 287 CA GLY A 31 -14.913 49.454 18.114 1.00 16.95 C ATOM 288 C GLY A 31 -15.000 50.662 17.241 1.00 17.22 C ATOM 289 O GLY A 31 -16.070 51.186 16.883 1.00 20.23 O ATOM 290 H GLY A 31 -17.011 49.423 18.888 1.00 0.00 H ATOM 291 N PHE A 32 -13.798 51.226 17.002 1.00 15.25 N ATOM 292 CA PHE A 32 -13.741 52.496 16.335 1.00 13.21 C ATOM 293 C PHE A 32 -13.485 52.321 14.831 1.00 14.94 C ATOM 294 O PHE A 32 -12.628 51.519 14.493 1.00 17.00 O ATOM 295 CB PHE A 32 -12.539 53.257 16.954 1.00 14.27 C ATOM 296 CG PHE A 32 -12.838 53.710 18.368 1.00 11.14 C ATOM 297 CD1 PHE A 32 -12.238 53.045 19.401 1.00 11.91 C ATOM 298 CD2 PHE A 32 -13.711 54.736 18.573 1.00 11.50 C ATOM 299 CE1 PHE A 32 -12.496 53.433 20.762 1.00 12.62 C ATOM 300 CE2 PHE A 32 -14.018 55.158 19.939 1.00 12.13 C ATOM 301 CZ PHE A 32 -13.385 54.431 20.987 1.00 12.21 C ATOM 302 H PHE A 32 -12.924 50.747 17.297 1.00 0.00 H ATOM 303 N VAL A 33 -14.199 53.086 14.029 1.00 14.19 N ATOM 304 CA VAL A 33 -13.956 53.076 12.555 1.00 15.03 C ATOM 305 C VAL A 33 -13.666 54.499 12.259 1.00 14.93 C ATOM 306 O VAL A 33 -14.531 55.327 11.851 1.00 16.58 O ATOM 307 CB VAL A 33 -15.256 52.501 11.830 1.00 18.11 C ATOM 308 CG1 VAL A 33 -14.941 52.537 10.367 1.00 19.99 C ATOM 309 CG2 VAL A 33 -15.494 51.123 12.286 1.00 18.82 C ATOM 310 H VAL A 33 -14.937 53.701 14.426 1.00 0.00 H ATOM 311 N SER A 34 -12.407 54.923 12.545 1.00 15.11 N ATOM 312 CA SER A 34 -12.137 56.364 12.627 1.00 14.79 C ATOM 313 C SER A 34 -10.666 56.606 12.376 1.00 16.86 C ATOM 314 O SER A 34 -9.962 57.166 13.171 1.00 14.76 O ATOM 315 CB SER A 34 -12.488 56.936 14.070 1.00 15.79 C ATOM 316 OG SER A 34 -12.670 58.319 13.972 1.00 16.73 O ATOM 317 HG SER A 34 -11.838 58.737 13.637 1.00 0.00 H ATOM 318 H SER A 34 -11.644 54.235 12.704 1.00 0.00 H ATOM 319 N PRO A 35 -10.161 56.289 11.182 1.00 17.35 N ATOM 320 CA PRO A 35 -8.751 56.469 10.942 1.00 16.30 C ATOM 321 C PRO A 35 -8.297 57.923 10.925 1.00 15.48 C ATOM 322 O PRO A 35 -7.079 58.116 11.076 1.00 18.15 O ATOM 323 CB PRO A 35 -8.532 55.699 9.557 1.00 18.05 C ATOM 324 CG PRO A 35 -9.959 55.820 8.892 1.00 20.25 C ATOM 325 CD PRO A 35 -10.931 55.704 10.062 1.00 18.44 C ATOM 326 N HIS A 36 -9.168 58.889 10.785 1.00 16.21 N ATOM 327 CA HIS A 36 -8.790 60.286 10.707 1.00 18.30 C ATOM 328 C HIS A 36 -9.464 61.207 11.668 1.00 19.75 C ATOM 329 O HIS A 36 -9.388 62.444 11.540 1.00 23.52 O ATOM 330 CB HIS A 36 -8.930 60.743 9.188 1.00 19.57 C ATOM 331 CG HIS A 36 -8.174 59.827 8.205 1.00 20.42 C ATOM 332 ND1 HIS A 36 -8.793 58.862 7.434 1.00 21.50 N ATOM 333 CD2 HIS A 36 -6.847 59.740 7.902 1.00 26.46 C ATOM 334 CE1 HIS A 36 -7.878 58.148 6.783 1.00 22.65 C ATOM 335 NE2 HIS A 36 -6.694 58.684 7.030 1.00 26.78 N ATOM 336 H HIS A 36 -10.177 58.643 10.727 1.00 0.00 H ATOM 337 N LYS A 37 -10.198 60.717 12.685 1.00 15.65 N ATOM 338 CA LYS A 37 -10.871 61.628 13.587 1.00 16.76 C ATOM 339 C LYS A 37 -10.801 61.008 15.062 1.00 14.52 C ATOM 340 O LYS A 37 -10.834 59.773 15.232 1.00 14.84 O ATOM 341 CB LYS A 37 -12.394 61.713 13.260 1.00 19.32 C ATOM 342 CG LYS A 37 -12.672 62.370 11.894 1.00 28.91 C ATOM 343 CD LYS A 37 -14.252 62.481 11.699 1.00 37.81 C ATOM 344 CE LYS A 37 -15.015 62.335 13.060 1.00 49.26 C ATOM 345 NZ LYS A 37 -15.123 63.549 14.002 1.00 51.43 N ATOM 346 HZ1 LYS A 37 -14.169 63.861 14.274 1.00 0.00 H ATOM 347 HZ2 LYS A 37 -15.616 64.323 13.513 1.00 0.00 H ATOM 348 HZ3 LYS A 37 -15.657 63.280 14.853 1.00 0.00 H ATOM 349 H LYS A 37 -10.281 59.689 12.822 1.00 0.00 H ATOM 350 N LEU A 38 -10.658 61.957 15.982 1.00 13.80 N ATOM 351 CA LEU A 38 -10.827 61.615 17.402 1.00 12.82 C ATOM 352 C LEU A 38 -12.213 61.041 17.565 1.00 12.68 C ATOM 353 O LEU A 38 -13.192 61.539 17.015 1.00 15.16 O ATOM 354 CB LEU A 38 -10.656 62.844 18.297 1.00 12.80 C ATOM 355 CG LEU A 38 -9.231 63.454 18.221 1.00 13.94 C ATOM 356 CD1 LEU A 38 -9.298 64.860 18.720 1.00 16.78 C ATOM 357 CD2 LEU A 38 -8.364 62.607 19.222 1.00 16.03 C ATOM 358 H LEU A 38 -10.429 62.932 15.700 1.00 0.00 H ATOM 359 N ALA A 39 -12.265 60.056 18.474 1.00 12.22 N ATOM 360 CA ALA A 39 -13.586 59.482 18.784 1.00 10.60 C ATOM 361 C ALA A 39 -13.575 58.906 20.197 1.00 11.53 C ATOM 362 O ALA A 39 -12.544 58.487 20.707 1.00 12.07 O ATOM 363 CB ALA A 39 -13.867 58.237 17.797 1.00 13.31 C ATOM 364 H ALA A 39 -11.404 59.710 18.943 1.00 0.00 H ATOM 365 N CYS A 40 -14.769 58.793 20.766 1.00 11.32 N ATOM 366 CA CYS A 40 -14.844 58.163 22.130 1.00 10.83 C ATOM 367 C CYS A 40 -16.292 57.633 22.322 1.00 11.16 C ATOM 368 O CYS A 40 -17.227 57.949 21.556 1.00 11.56 O ATOM 369 CB CYS A 40 -14.492 59.242 23.208 1.00 10.43 C ATOM 370 SG CYS A 40 -15.454 60.687 23.213 1.00 14.55 S ATOM 371 H CYS A 40 -15.627 59.130 20.283 1.00 0.00 H ATOM 372 N ALA A 41 -16.399 56.798 23.360 1.00 10.54 N ATOM 373 CA ALA A 41 -17.722 56.215 23.633 1.00 11.29 C ATOM 374 C ALA A 41 -17.771 55.835 25.090 1.00 12.27 C ATOM 375 O ALA A 41 -16.738 55.544 25.693 1.00 12.28 O ATOM 376 CB ALA A 41 -17.876 54.958 22.809 1.00 11.49 C ATOM 377 H ALA A 41 -15.576 56.569 23.954 1.00 0.00 H ATOM 378 N ILE A 42 -19.005 55.706 25.651 1.00 10.05 N ATOM 379 CA ILE A 42 -19.118 55.104 26.988 1.00 9.65 C ATOM 380 C ILE A 42 -19.770 53.708 26.807 1.00 11.03 C ATOM 381 O ILE A 42 -20.737 53.604 25.990 1.00 13.11 O ATOM 382 CB ILE A 42 -19.936 56.015 27.849 1.00 11.65 C ATOM 383 CG1 ILE A 42 -19.047 57.213 28.254 1.00 12.02 C ATOM 384 CG2 ILE A 42 -20.518 55.305 29.116 1.00 14.30 C ATOM 385 CD1 ILE A 42 -19.745 58.366 29.084 1.00 14.43 C ATOM 386 H ILE A 42 -19.853 56.028 25.143 1.00 0.00 H ATOM 387 N VAL A 43 -19.226 52.719 27.445 1.00 10.39 N ATOM 388 CA VAL A 43 -19.519 51.316 27.077 1.00 10.88 C ATOM 389 C VAL A 43 -19.797 50.625 28.369 1.00 11.51 C ATOM 390 O VAL A 43 -19.136 50.712 29.375 1.00 10.88 O ATOM 391 CB VAL A 43 -18.365 50.679 26.425 1.00 11.13 C ATOM 392 CG1 VAL A 43 -18.546 49.144 26.194 1.00 13.97 C ATOM 393 CG2 VAL A 43 -18.036 51.446 25.122 1.00 11.90 C ATOM 394 H VAL A 43 -18.572 52.915 28.229 1.00 0.00 H ATOM 395 N ASN A 44 -20.967 49.901 28.418 1.00 11.22 N ATOM 396 CA ASN A 44 -21.243 49.095 29.613 1.00 10.67 C ATOM 397 C ASN A 44 -20.636 47.721 29.581 1.00 11.52 C ATOM 398 O ASN A 44 -20.332 47.139 28.514 1.00 12.82 O ATOM 399 CB ASN A 44 -22.819 48.852 29.652 1.00 11.01 C ATOM 400 CG ASN A 44 -23.366 48.784 31.082 1.00 11.37 C ATOM 401 OD1 ASN A 44 -23.774 49.826 31.645 1.00 16.34 O ATOM 402 ND2 ASN A 44 -23.227 47.622 31.697 1.00 10.06 N ATOM 403 HD22 ASN A 44 -22.883 46.793 31.171 1.00 0.00 H ATOM 404 HD21 ASN A 44 -23.462 47.537 32.707 1.00 0.00 H ATOM 405 H ASN A 44 -21.640 49.925 27.626 1.00 0.00 H ATOM 406 N THR A 45 -20.361 47.165 30.769 1.00 11.15 N ATOM 407 CA THR A 45 -19.836 45.846 30.853 1.00 12.37 C ATOM 408 C THR A 45 -20.827 44.697 30.452 1.00 11.26 C ATOM 409 O THR A 45 -20.372 43.586 30.137 1.00 15.41 O ATOM 410 CB THR A 45 -19.336 45.478 32.321 1.00 12.74 C ATOM 411 OG1 THR A 45 -20.371 45.740 33.225 1.00 13.99 O ATOM 412 CG2 THR A 45 -18.135 46.389 32.725 1.00 14.86 C ATOM 413 HG1 THR A 45 -21.160 45.190 32.990 1.00 0.00 H ATOM 414 H THR A 45 -20.534 47.705 31.641 1.00 0.00 H ATOM 415 N ALA A 46 -22.080 45.120 30.592 1.00 13.42 N ATOM 416 CA ALA A 46 -23.170 44.104 30.299 1.00 14.53 C ATOM 417 C ALA A 46 -23.855 44.406 28.993 1.00 15.42 C ATOM 418 O ALA A 46 -23.722 45.439 28.378 1.00 14.35 O ATOM 419 CB ALA A 46 -24.156 44.152 31.447 1.00 16.93 C ATOM 420 H ALA A 46 -22.301 46.093 30.886 1.00 0.00 H ATOM 421 N GLY A 47 -24.723 43.420 28.583 1.00 15.25 N ATOM 422 CA GLY A 47 -25.585 43.697 27.440 1.00 15.20 C ATOM 423 C GLY A 47 -26.862 44.399 27.781 1.00 16.08 C ATOM 424 O GLY A 47 -27.281 44.345 28.923 1.00 18.68 O ATOM 425 H GLY A 47 -24.763 42.504 29.074 1.00 0.00 H ATOM 426 N ARG A 48 -27.457 45.047 26.791 1.00 15.16 N ATOM 427 CA ARG A 48 -28.647 45.835 26.980 1.00 17.14 C ATOM 428 C ARG A 48 -29.757 44.986 27.612 1.00 19.99 C ATOM 429 O ARG A 48 -30.538 45.556 28.383 1.00 22.67 O ATOM 430 CB ARG A 48 -29.169 46.416 25.665 1.00 17.36 C ATOM 431 CG ARG A 48 -28.295 47.537 25.120 1.00 15.96 C ATOM 432 CD ARG A 48 -28.967 48.228 23.934 1.00 16.76 C ATOM 433 NE ARG A 48 -28.116 49.414 23.588 1.00 16.75 N ATOM 434 CZ ARG A 48 -28.252 50.558 24.247 1.00 19.15 C ATOM 435 NH1 ARG A 48 -27.404 51.555 23.931 1.00 19.28 N ATOM 436 NH2 ARG A 48 -29.094 50.708 25.288 1.00 16.44 N ATOM 437 HE ARG A 48 -27.413 49.339 22.825 1.00 0.00 H ATOM 438 HH12 ARG A 48 -27.472 52.470 24.420 1.00 0.00 H ATOM 439 HH11 ARG A 48 -26.681 51.410 23.197 1.00 0.00 H ATOM 440 HH22 ARG A 48 -29.164 51.626 25.772 1.00 0.00 H ATOM 441 HH21 ARG A 48 -29.674 49.906 25.608 1.00 0.00 H ATOM 442 H ARG A 48 -27.047 44.984 25.837 1.00 0.00 H ATOM 443 N GLU A 49 -29.781 43.707 27.303 1.00 21.79 N ATOM 444 CA GLU A 49 -30.851 42.819 27.864 1.00 26.73 C ATOM 445 C GLU A 49 -30.817 42.845 29.420 1.00 29.09 C ATOM 446 O GLU A 49 -31.865 42.625 30.052 1.00 31.83 O ATOM 447 CB GLU A 49 -30.636 41.385 27.392 1.00 25.75 C ATOM 448 CG GLU A 49 -30.696 41.159 25.874 1.00 31.07 C ATOM 449 CD GLU A 49 -29.352 41.314 25.090 1.00 40.39 C ATOM 450 OE1 GLU A 49 -28.342 41.926 25.660 1.00 27.24 O ATOM 451 OE2 GLU A 49 -29.329 40.817 23.886 1.00 39.43 O ATOM 452 H GLU A 49 -29.057 43.312 26.669 1.00 0.00 H ATOM 453 N THR A 50 -29.677 43.194 30.055 1.00 29.27 N ATOM 454 CA THR A 50 -29.550 43.365 31.560 1.00 28.93 C ATOM 455 C THR A 50 -29.908 44.708 32.184 1.00 30.99 C ATOM 456 O THR A 50 -30.198 44.789 33.425 1.00 33.78 O ATOM 457 CB THR A 50 -28.092 43.050 31.970 1.00 29.10 C ATOM 458 OG1 THR A 50 -27.290 44.289 31.691 1.00 33.52 O ATOM 459 CG2 THR A 50 -27.599 41.716 31.278 1.00 23.80 C ATOM 460 HG1 THR A 50 -27.347 44.507 30.727 1.00 0.00 H ATOM 461 H THR A 50 -28.829 43.357 29.475 1.00 0.00 H ATOM 462 N GLY A 51 -29.975 45.775 31.396 1.00 30.26 N ATOM 463 CA GLY A 51 -30.339 47.134 31.833 1.00 27.76 C ATOM 464 C GLY A 51 -29.080 47.945 32.228 1.00 27.77 C ATOM 465 O GLY A 51 -29.216 49.132 32.615 1.00 27.43 O ATOM 466 H GLY A 51 -29.753 45.640 30.389 1.00 0.00 H ATOM 467 N GLY A 52 -27.958 47.241 32.255 1.00 25.59 N ATOM 468 CA GLY A 52 -26.647 47.987 32.576 1.00 23.54 C ATOM 469 C GLY A 52 -26.087 47.474 33.870 1.00 24.16 C ATOM 470 O GLY A 52 -26.904 47.254 34.853 1.00 24.59 O ATOM 471 H GLY A 52 -27.961 46.218 32.066 1.00 0.00 H ATOM 472 N VAL A 53 -24.736 47.332 33.989 1.00 17.48 N ATOM 473 CA VAL A 53 -24.131 46.941 35.258 1.00 14.74 C ATOM 474 C VAL A 53 -23.034 47.973 35.652 1.00 15.62 C ATOM 475 O VAL A 53 -22.985 48.388 36.782 1.00 17.31 O ATOM 476 CB VAL A 53 -23.499 45.537 35.118 1.00 15.58 C ATOM 477 CG1 VAL A 53 -22.611 45.109 36.272 1.00 16.57 C ATOM 478 CG2 VAL A 53 -24.690 44.420 34.930 1.00 17.95 C ATOM 479 H VAL A 53 -24.128 47.505 33.163 1.00 0.00 H ATOM 480 N HIS A 54 -22.155 48.262 34.698 1.00 14.15 N ATOM 481 CA HIS A 54 -20.963 49.143 35.116 1.00 13.12 C ATOM 482 C HIS A 54 -20.488 49.855 33.833 1.00 12.33 C ATOM 483 O HIS A 54 -20.470 49.269 32.728 1.00 11.94 O ATOM 484 CB HIS A 54 -19.833 48.229 35.612 1.00 12.46 C ATOM 485 CG HIS A 54 -18.577 48.986 36.074 1.00 13.09 C ATOM 486 ND1 HIS A 54 -18.612 49.844 37.153 1.00 17.67 N ATOM 487 CD2 HIS A 54 -17.291 48.939 35.624 1.00 15.19 C ATOM 488 CE1 HIS A 54 -17.376 50.295 37.352 1.00 16.35 C ATOM 489 NE2 HIS A 54 -16.567 49.793 36.441 1.00 14.65 N ATOM 490 H HIS A 54 -22.266 47.913 33.725 1.00 0.00 H ATOM 491 N TRP A 55 -20.097 51.152 33.993 1.00 11.54 N ATOM 492 CA TRP A 55 -19.645 51.977 32.816 1.00 10.38 C ATOM 493 C TRP A 55 -18.131 52.177 32.746 1.00 11.81 C ATOM 494 O TRP A 55 -17.486 52.280 33.773 1.00 12.93 O ATOM 495 CB TRP A 55 -20.251 53.350 32.927 1.00 10.16 C ATOM 496 CG TRP A 55 -21.838 53.405 32.827 1.00 10.41 C ATOM 497 CD1 TRP A 55 -22.693 53.860 33.793 1.00 14.30 C ATOM 498 CD2 TRP A 55 -22.590 53.095 31.646 1.00 10.34 C ATOM 499 NE1 TRP A 55 -23.996 53.825 33.271 1.00 15.55 N ATOM 500 CE2 TRP A 55 -23.924 53.406 31.964 1.00 12.57 C ATOM 501 CE3 TRP A 55 -22.239 52.666 30.386 1.00 12.38 C ATOM 502 CZ2 TRP A 55 -24.977 53.198 31.045 1.00 10.88 C ATOM 503 CZ3 TRP A 55 -23.283 52.526 29.432 1.00 13.48 C ATOM 504 CH2 TRP A 55 -24.634 52.805 29.831 1.00 12.01 C ATOM 505 HE1 TRP A 55 -24.866 54.073 33.785 1.00 0.00 H ATOM 506 H TRP A 55 -20.111 51.578 34.942 1.00 0.00 H ATOM 507 N MET A 56 -17.679 52.112 31.513 1.00 10.06 N ATOM 508 CA MET A 56 -16.257 52.353 31.136 1.00 9.93 C ATOM 509 C MET A 56 -16.278 53.370 30.022 1.00 10.89 C ATOM 510 O MET A 56 -17.282 53.589 29.300 1.00 11.80 O ATOM 511 CB MET A 56 -15.653 51.031 30.520 1.00 13.87 C ATOM 512 CG MET A 56 -15.826 49.836 31.548 1.00 15.78 C ATOM 513 SD MET A 56 -15.333 48.439 30.529 1.00 21.40 S ATOM 514 CE MET A 56 -17.002 48.199 29.755 1.00 13.74 C ATOM 515 H MET A 56 -18.353 51.879 30.756 1.00 0.00 H ATOM 516 N ALA A 57 -15.119 54.041 29.834 1.00 8.91 N ATOM 517 CA ALA A 57 -14.992 54.927 28.688 1.00 8.88 C ATOM 518 C ALA A 57 -13.905 54.398 27.780 1.00 10.13 C ATOM 519 O ALA A 57 -12.801 54.033 28.283 1.00 10.25 O ATOM 520 CB ALA A 57 -14.605 56.381 29.119 1.00 9.73 C ATOM 521 H ALA A 57 -14.329 53.925 30.500 1.00 0.00 H ATOM 522 N PHE A 58 -14.151 54.429 26.462 1.00 10.26 N ATOM 523 CA PHE A 58 -13.101 54.108 25.474 1.00 11.56 C ATOM 524 C PHE A 58 -12.894 55.340 24.640 1.00 9.78 C ATOM 525 O PHE A 58 -13.836 56.103 24.340 1.00 10.93 O ATOM 526 CB PHE A 58 -13.557 52.939 24.493 1.00 10.28 C ATOM 527 CG PHE A 58 -13.395 51.592 25.093 1.00 8.93 C ATOM 528 CD1 PHE A 58 -14.501 51.069 25.843 1.00 11.91 C ATOM 529 CD2 PHE A 58 -12.254 50.860 24.953 1.00 10.53 C ATOM 530 CE1 PHE A 58 -14.320 49.722 26.354 1.00 13.23 C ATOM 531 CE2 PHE A 58 -12.114 49.503 25.453 1.00 13.25 C ATOM 532 CZ PHE A 58 -13.170 48.963 26.182 1.00 11.63 C ATOM 533 H PHE A 58 -15.102 54.685 26.128 1.00 0.00 H ATOM 534 N ALA A 59 -11.623 55.612 24.270 1.00 8.71 N ATOM 535 CA ALA A 59 -11.400 56.756 23.420 1.00 8.73 C ATOM 536 C ALA A 59 -10.288 56.351 22.447 1.00 9.48 C ATOM 537 O ALA A 59 -9.590 55.393 22.584 1.00 12.35 O ATOM 538 CB ALA A 59 -10.964 57.994 24.310 1.00 9.82 C ATOM 539 H ALA A 59 -10.832 55.016 24.588 1.00 0.00 H ATOM 540 N TRP A 60 -10.235 57.149 21.373 1.00 11.33 N ATOM 541 CA TRP A 60 -9.344 56.804 20.207 1.00 9.65 C ATOM 542 C TRP A 60 -8.742 58.082 19.642 1.00 8.57 C ATOM 543 O TRP A 60 -9.424 59.030 19.265 1.00 10.58 O ATOM 544 CB TRP A 60 -10.245 56.145 19.104 1.00 11.18 C ATOM 545 CG TRP A 60 -9.513 56.010 17.825 1.00 11.94 C ATOM 546 CD1 TRP A 60 -9.723 56.737 16.670 1.00 15.42 C ATOM 547 CD2 TRP A 60 -8.473 55.109 17.558 1.00 11.90 C ATOM 548 NE1 TRP A 60 -8.847 56.320 15.695 1.00 13.67 N ATOM 549 CE2 TRP A 60 -8.062 55.331 16.204 1.00 12.12 C ATOM 550 CE3 TRP A 60 -7.731 54.181 18.323 1.00 14.70 C ATOM 551 CZ2 TRP A 60 -6.964 54.698 15.634 1.00 12.11 C ATOM 552 CZ3 TRP A 60 -6.679 53.506 17.728 1.00 16.42 C ATOM 553 CH2 TRP A 60 -6.321 53.747 16.320 1.00 14.39 C ATOM 554 HE1 TRP A 60 -8.793 56.698 14.728 1.00 0.00 H ATOM 555 H TRP A 60 -10.813 58.013 21.343 1.00 0.00 H ATOM 556 N ASN A 61 -7.375 58.047 19.644 1.00 10.12 N ATOM 557 CA ASN A 61 -6.605 59.137 18.959 1.00 10.63 C ATOM 558 C ASN A 61 -5.948 58.584 17.678 1.00 11.16 C ATOM 559 O ASN A 61 -5.034 57.784 17.810 1.00 12.78 O ATOM 560 CB ASN A 61 -5.520 59.600 19.955 1.00 10.46 C ATOM 561 CG ASN A 61 -4.802 60.831 19.373 1.00 15.74 C ATOM 562 OD1 ASN A 61 -4.738 60.979 18.149 1.00 14.78 O ATOM 563 ND2 ASN A 61 -4.344 61.753 20.213 1.00 11.78 N ATOM 564 HD22 ASN A 61 -4.412 61.601 21.240 1.00 0.00 H ATOM 565 HD21 ASN A 61 -3.918 62.627 19.844 1.00 0.00 H ATOM 566 H ASN A 61 -6.872 57.269 20.118 1.00 0.00 H ATOM 567 N PRO A 62 -6.515 59.044 16.510 1.00 14.70 N ATOM 568 CA PRO A 62 -6.066 58.506 15.238 1.00 17.83 C ATOM 569 C PRO A 62 -4.634 58.916 14.935 1.00 18.60 C ATOM 570 O PRO A 62 -3.908 58.170 14.225 1.00 21.52 O ATOM 571 CB PRO A 62 -7.054 59.177 14.276 1.00 16.35 C ATOM 572 CG PRO A 62 -7.415 60.458 14.820 1.00 19.18 C ATOM 573 CD PRO A 62 -7.542 60.071 16.368 1.00 16.01 C ATOM 574 N ARG A 63 -4.202 60.038 15.505 1.00 15.33 N ATOM 575 CA ARG A 63 -2.813 60.390 15.116 1.00 14.62 C ATOM 576 C ARG A 63 -1.756 59.633 15.862 1.00 17.05 C ATOM 577 O ARG A 63 -0.623 59.363 15.327 1.00 22.07 O ATOM 578 CB ARG A 63 -2.619 61.897 15.331 1.00 14.25 C ATOM 579 CG ARG A 63 -3.501 62.774 14.388 1.00 18.98 C ATOM 580 CD ARG A 63 -3.098 64.217 14.330 1.00 23.58 C ATOM 581 NE ARG A 63 -4.008 65.126 13.573 1.00 27.48 N ATOM 582 CZ ARG A 63 -3.939 65.281 12.251 1.00 32.55 C ATOM 583 NH1 ARG A 63 -3.096 64.502 11.571 1.00 28.65 N ATOM 584 NH2 ARG A 63 -4.702 66.200 11.618 1.00 35.14 N ATOM 585 HE ARG A 63 -4.727 65.662 14.100 1.00 0.00 H ATOM 586 HH12 ARG A 63 -3.018 64.597 10.538 1.00 0.00 H ATOM 587 HH11 ARG A 63 -2.517 63.799 12.074 1.00 0.00 H ATOM 588 HH22 ARG A 63 -4.636 66.308 10.586 1.00 0.00 H ATOM 589 HH21 ARG A 63 -5.355 66.799 12.163 1.00 0.00 H ATOM 590 H ARG A 63 -4.778 60.609 16.156 1.00 0.00 H ATOM 591 N SER A 64 -1.968 59.249 17.116 1.00 13.74 N ATOM 592 CA SER A 64 -1.082 58.365 17.773 1.00 12.96 C ATOM 593 C SER A 64 -1.476 56.841 17.720 1.00 13.87 C ATOM 594 O SER A 64 -0.768 56.054 18.335 1.00 19.75 O ATOM 595 CB SER A 64 -0.935 58.850 19.227 1.00 17.51 C ATOM 596 OG SER A 64 -2.245 58.769 19.922 1.00 17.15 O ATOM 597 HG SER A 64 -2.142 59.082 20.855 1.00 0.00 H ATOM 598 H SER A 64 -2.802 59.606 17.624 1.00 0.00 H ATOM 599 N LYS A 65 -2.574 56.571 17.066 1.00 16.73 N ATOM 600 CA LYS A 65 -3.127 55.168 16.980 1.00 16.58 C ATOM 601 C LYS A 65 -3.259 54.576 18.387 1.00 15.29 C ATOM 602 O LYS A 65 -2.854 53.497 18.677 1.00 15.65 O ATOM 603 CB LYS A 65 -2.272 54.258 16.078 1.00 19.76 C ATOM 604 CG LYS A 65 -2.175 54.870 14.628 1.00 20.90 C ATOM 605 CD LYS A 65 -3.515 55.122 13.929 1.00 27.23 C ATOM 606 CE LYS A 65 -3.394 55.772 12.494 1.00 26.38 C ATOM 607 NZ LYS A 65 -4.739 56.226 11.890 1.00 33.01 N ATOM 608 HZ1 LYS A 65 -5.372 55.406 11.802 1.00 0.00 H ATOM 609 HZ2 LYS A 65 -5.175 56.937 12.512 1.00 0.00 H ATOM 610 HZ3 LYS A 65 -4.573 56.640 10.951 1.00 0.00 H ATOM 611 H LYS A 65 -3.082 57.344 16.591 1.00 0.00 H ATOM 612 N THR A 66 -3.759 55.385 19.332 1.00 12.28 N ATOM 613 CA THR A 66 -3.897 54.932 20.726 1.00 12.35 C ATOM 614 C THR A 66 -5.381 54.822 21.053 1.00 10.39 C ATOM 615 O THR A 66 -6.182 55.723 20.834 1.00 11.64 O ATOM 616 CB THR A 66 -3.283 55.975 21.702 1.00 12.90 C ATOM 617 OG1 THR A 66 -1.856 56.011 21.454 1.00 17.46 O ATOM 618 CG2 THR A 66 -3.439 55.450 23.112 1.00 13.81 C ATOM 619 HG1 THR A 66 -1.692 56.276 20.514 1.00 0.00 H ATOM 620 H THR A 66 -4.054 56.349 19.076 1.00 0.00 H ATOM 621 N CYS A 67 -5.749 53.606 21.592 1.00 10.45 N ATOM 622 CA CYS A 67 -7.103 53.370 22.160 1.00 11.13 C ATOM 623 C CYS A 67 -6.892 53.418 23.653 1.00 11.03 C ATOM 624 O CYS A 67 -6.078 52.636 24.215 1.00 12.05 O ATOM 625 CB CYS A 67 -7.505 51.996 21.727 1.00 11.75 C ATOM 626 SG CYS A 67 -9.167 51.600 22.363 1.00 16.38 S ATOM 627 H CYS A 67 -5.057 52.830 21.601 1.00 0.00 H ATOM 628 N TYR A 68 -7.648 54.352 24.279 1.00 9.60 N ATOM 629 CA TYR A 68 -7.616 54.483 25.732 1.00 9.92 C ATOM 630 C TYR A 68 -8.797 53.710 26.319 1.00 10.38 C ATOM 631 O TYR A 68 -9.918 53.782 25.783 1.00 11.25 O ATOM 632 CB TYR A 68 -7.818 55.964 26.121 1.00 9.96 C ATOM 633 CG TYR A 68 -6.653 56.832 25.690 1.00 9.10 C ATOM 634 CD1 TYR A 68 -6.796 57.617 24.576 1.00 11.71 C ATOM 635 CD2 TYR A 68 -5.482 56.818 26.397 1.00 11.50 C ATOM 636 CE1 TYR A 68 -5.750 58.465 24.184 1.00 13.21 C ATOM 637 CE2 TYR A 68 -4.409 57.661 25.972 1.00 13.10 C ATOM 638 CZ TYR A 68 -4.601 58.411 24.869 1.00 14.15 C ATOM 639 OH TYR A 68 -3.472 59.276 24.599 1.00 17.17 O ATOM 640 HH TYR A 68 -3.653 59.808 23.784 1.00 0.00 H ATOM 641 H TYR A 68 -8.257 54.982 23.718 1.00 0.00 H ATOM 642 N LEU A 69 -8.529 53.023 27.419 1.00 10.38 N ATOM 643 CA LEU A 69 -9.656 52.418 28.221 1.00 10.05 C ATOM 644 C LEU A 69 -9.554 52.975 29.665 1.00 10.64 C ATOM 645 O LEU A 69 -8.498 52.814 30.326 1.00 11.23 O ATOM 646 CB LEU A 69 -9.505 50.893 28.237 1.00 12.15 C ATOM 647 CG LEU A 69 -10.398 50.249 29.383 1.00 10.36 C ATOM 648 CD1 LEU A 69 -11.924 50.543 29.163 1.00 13.05 C ATOM 649 CD2 LEU A 69 -10.196 48.709 29.274 1.00 16.49 C ATOM 650 H LEU A 69 -7.544 52.900 27.730 1.00 0.00 H ATOM 651 N PHE A 70 -10.583 53.752 30.008 1.00 9.43 N ATOM 652 CA PHE A 70 -10.714 54.222 31.377 1.00 8.45 C ATOM 653 C PHE A 70 -11.885 53.490 32.005 1.00 10.37 C ATOM 654 O PHE A 70 -12.990 53.744 31.678 1.00 12.04 O ATOM 655 CB PHE A 70 -10.947 55.751 31.388 1.00 9.52 C ATOM 656 CG PHE A 70 -11.211 56.302 32.754 1.00 9.14 C ATOM 657 CD1 PHE A 70 -10.178 56.561 33.624 1.00 11.85 C ATOM 658 CD2 PHE A 70 -12.548 56.504 33.145 1.00 11.03 C ATOM 659 CE1 PHE A 70 -10.473 57.041 34.967 1.00 12.14 C ATOM 660 CE2 PHE A 70 -12.850 56.988 34.419 1.00 12.76 C ATOM 661 CZ PHE A 70 -11.824 57.212 35.301 1.00 13.41 C ATOM 662 H PHE A 70 -11.291 54.021 29.296 1.00 0.00 H ATOM 663 N GLU A 71 -11.528 52.613 32.926 1.00 9.73 N ATOM 664 CA GLU A 71 -12.629 51.919 33.684 1.00 9.35 C ATOM 665 C GLU A 71 -12.330 52.421 35.101 1.00 11.38 C ATOM 666 O GLU A 71 -11.207 52.291 35.555 1.00 12.24 O ATOM 667 CB GLU A 71 -12.456 50.405 33.503 1.00 11.48 C ATOM 668 CG GLU A 71 -13.528 49.551 34.253 1.00 12.82 C ATOM 669 CD GLU A 71 -13.056 49.371 35.728 1.00 13.52 C ATOM 670 OE1 GLU A 71 -11.965 48.819 35.906 1.00 15.85 O ATOM 671 OE2 GLU A 71 -13.849 49.777 36.592 1.00 14.81 O ATOM 672 H GLU A 71 -10.527 52.410 33.120 1.00 0.00 H ATOM 673 N PRO A 72 -13.338 52.937 35.849 1.00 9.63 N ATOM 674 CA PRO A 72 -13.045 53.677 37.084 1.00 9.95 C ATOM 675 C PRO A 72 -12.409 52.875 38.195 1.00 10.62 C ATOM 676 O PRO A 72 -11.745 53.562 39.043 1.00 12.29 O ATOM 677 CB PRO A 72 -14.342 54.317 37.576 1.00 13.62 C ATOM 678 CG PRO A 72 -15.300 54.080 36.423 1.00 15.52 C ATOM 679 CD PRO A 72 -14.732 53.142 35.376 1.00 11.39 C ATOM 680 N PHE A 73 -12.493 51.565 38.216 1.00 11.75 N ATOM 681 CA PHE A 73 -11.714 50.843 39.284 1.00 11.13 C ATOM 682 C PHE A 73 -10.330 50.451 38.849 1.00 10.76 C ATOM 683 O PHE A 73 -9.490 49.953 39.646 1.00 12.20 O ATOM 684 CB PHE A 73 -12.500 49.535 39.674 1.00 13.06 C ATOM 685 CG PHE A 73 -13.724 49.818 40.422 1.00 13.85 C ATOM 686 CD1 PHE A 73 -14.936 49.368 39.938 1.00 16.02 C ATOM 687 CD2 PHE A 73 -13.696 50.471 41.684 1.00 13.31 C ATOM 688 CE1 PHE A 73 -16.108 49.598 40.724 1.00 18.97 C ATOM 689 CE2 PHE A 73 -14.839 50.764 42.392 1.00 17.63 C ATOM 690 CZ PHE A 73 -16.068 50.298 41.881 1.00 20.22 C ATOM 691 H PHE A 73 -13.073 51.048 37.525 1.00 0.00 H ATOM 692 N GLY A 74 -9.988 50.579 37.548 1.00 10.99 N ATOM 693 CA GLY A 74 -8.609 50.246 37.073 1.00 11.60 C ATOM 694 C GLY A 74 -8.358 48.721 37.155 1.00 13.54 C ATOM 695 O GLY A 74 -7.208 48.283 37.276 1.00 15.57 O ATOM 696 H GLY A 74 -10.696 50.915 36.865 1.00 0.00 H ATOM 697 N PHE A 75 -9.438 47.911 37.043 1.00 13.29 N ATOM 698 CA PHE A 75 -9.248 46.437 37.145 1.00 15.66 C ATOM 699 C PHE A 75 -8.390 45.886 36.069 1.00 15.20 C ATOM 700 O PHE A 75 -8.407 46.310 34.884 1.00 14.71 O ATOM 701 CB PHE A 75 -10.664 45.777 37.026 1.00 15.93 C ATOM 702 CG PHE A 75 -11.431 45.764 38.291 1.00 16.83 C ATOM 703 CD1 PHE A 75 -12.785 46.060 38.280 1.00 17.66 C ATOM 704 CD2 PHE A 75 -10.837 45.385 39.483 1.00 27.75 C ATOM 705 CE1 PHE A 75 -13.551 46.055 39.480 1.00 24.14 C ATOM 706 CE2 PHE A 75 -11.607 45.341 40.700 1.00 27.20 C ATOM 707 CZ PHE A 75 -12.989 45.738 40.671 1.00 24.14 C ATOM 708 H PHE A 75 -10.385 48.312 36.888 1.00 0.00 H ATOM 709 N SER A 76 -7.632 44.819 36.411 1.00 16.85 N ATOM 710 CA SER A 76 -6.860 44.122 35.349 1.00 17.68 C ATOM 711 C SER A 76 -7.867 43.428 34.382 1.00 16.80 C ATOM 712 O SER A 76 -9.028 43.309 34.698 1.00 17.10 O ATOM 713 CB SER A 76 -6.005 43.007 36.004 1.00 18.66 C ATOM 714 OG SER A 76 -6.889 42.056 36.581 1.00 21.60 O ATOM 715 HG SER A 76 -6.363 41.333 37.006 1.00 0.00 H ATOM 716 H SER A 76 -7.590 44.493 37.398 1.00 0.00 H ATOM 717 N ASP A 77 -7.344 43.053 33.229 1.00 18.80 N ATOM 718 CA ASP A 77 -8.201 42.336 32.260 1.00 17.29 C ATOM 719 C ASP A 77 -8.778 41.076 32.902 1.00 19.03 C ATOM 720 O ASP A 77 -9.932 40.801 32.671 1.00 17.61 O ATOM 721 CB ASP A 77 -7.427 41.963 31.051 1.00 17.88 C ATOM 722 CG ASP A 77 -7.022 43.156 30.223 1.00 21.64 C ATOM 723 OD1 ASP A 77 -6.189 42.934 29.308 1.00 24.85 O ATOM 724 OD2 ASP A 77 -7.612 44.255 30.383 1.00 21.54 O ATOM 725 H ASP A 77 -6.349 43.258 33.007 1.00 0.00 H ATOM 726 N GLN A 78 -7.948 40.383 33.680 1.00 19.49 N ATOM 727 CA GLN A 78 -8.472 39.183 34.387 1.00 22.25 C ATOM 728 C GLN A 78 -9.629 39.481 35.328 1.00 21.15 C ATOM 729 O GLN A 78 -10.623 38.799 35.349 1.00 21.77 O ATOM 730 CB GLN A 78 -7.307 38.502 35.170 1.00 22.53 C ATOM 731 CG GLN A 78 -7.810 37.340 36.047 1.00 37.02 C ATOM 732 CD GLN A 78 -6.812 36.872 37.193 1.00 51.97 C ATOM 733 OE1 GLN A 78 -6.685 37.517 38.281 1.00 58.91 O ATOM 734 NE2 GLN A 78 -6.154 35.727 36.950 1.00 51.37 N ATOM 735 HE22 GLN A 78 -6.288 35.232 36.045 1.00 0.00 H ATOM 736 HE21 GLN A 78 -5.510 35.335 37.667 1.00 0.00 H ATOM 737 H GLN A 78 -6.956 40.674 33.791 1.00 0.00 H ATOM 738 N ARG A 79 -9.526 40.570 36.122 1.00 20.23 N ATOM 739 CA ARG A 79 -10.559 40.970 37.053 1.00 20.00 C ATOM 740 C ARG A 79 -11.774 41.481 36.288 1.00 20.17 C ATOM 741 O ARG A 79 -12.891 41.297 36.727 1.00 19.93 O ATOM 742 CB ARG A 79 -10.001 42.004 38.056 1.00 21.41 C ATOM 743 CG ARG A 79 -8.955 41.273 38.991 1.00 25.74 C ATOM 744 CD ARG A 79 -9.717 40.411 40.015 1.00 34.93 C ATOM 745 NE ARG A 79 -10.506 41.196 40.980 1.00 43.13 N ATOM 746 CZ ARG A 79 -11.553 40.709 41.690 1.00 41.88 C ATOM 747 NH1 ARG A 79 -12.194 41.476 42.568 1.00 41.61 N ATOM 748 NH2 ARG A 79 -11.989 39.446 41.510 1.00 39.94 N ATOM 749 HE ARG A 79 -10.242 42.191 41.126 1.00 0.00 H ATOM 750 HH12 ARG A 79 -12.996 41.091 43.107 1.00 0.00 H ATOM 751 HH11 ARG A 79 -11.893 42.461 42.716 1.00 0.00 H ATOM 752 HH22 ARG A 79 -12.794 39.090 42.064 1.00 0.00 H ATOM 753 HH21 ARG A 79 -11.520 38.828 40.817 1.00 0.00 H ATOM 754 H ARG A 79 -8.663 41.148 36.061 1.00 0.00 H ATOM 755 N LEU A 80 -11.606 42.156 35.138 1.00 17.69 N ATOM 756 CA LEU A 80 -12.802 42.570 34.367 1.00 18.46 C ATOM 757 C LEU A 80 -13.584 41.349 33.909 1.00 18.58 C ATOM 758 O LEU A 80 -14.827 41.350 33.899 1.00 21.68 O ATOM 759 CB LEU A 80 -12.406 43.354 33.102 1.00 16.74 C ATOM 760 CG LEU A 80 -11.942 44.774 33.406 1.00 18.36 C ATOM 761 CD1 LEU A 80 -11.443 45.417 32.073 1.00 16.01 C ATOM 762 CD2 LEU A 80 -13.156 45.594 33.940 1.00 18.16 C ATOM 763 H LEU A 80 -10.651 42.384 34.794 1.00 0.00 H ATOM 764 N LYS A 81 -12.857 40.299 33.527 1.00 19.25 N ATOM 765 CA LYS A 81 -13.522 39.072 33.061 1.00 21.73 C ATOM 766 C LYS A 81 -14.169 38.369 34.292 1.00 22.86 C ATOM 767 O LYS A 81 -15.351 37.950 34.209 1.00 24.63 O ATOM 768 CB LYS A 81 -12.529 38.190 32.328 1.00 22.51 C ATOM 769 CG LYS A 81 -13.221 36.811 31.931 1.00 26.72 C ATOM 770 CD LYS A 81 -12.382 36.004 30.993 1.00 33.09 C ATOM 771 CE LYS A 81 -13.123 34.670 30.614 1.00 39.31 C ATOM 772 NZ LYS A 81 -12.108 33.823 29.949 1.00 40.24 N ATOM 773 HZ1 LYS A 81 -11.751 34.311 29.103 1.00 0.00 H ATOM 774 HZ2 LYS A 81 -11.322 33.646 30.606 1.00 0.00 H ATOM 775 HZ3 LYS A 81 -12.540 32.919 29.672 1.00 0.00 H ATOM 776 H LYS A 81 -11.819 40.347 33.558 1.00 0.00 H ATOM 777 N GLN A 82 -13.450 38.311 35.429 1.00 23.08 N ATOM 778 CA GLN A 82 -13.963 37.649 36.651 1.00 26.45 C ATOM 779 C GLN A 82 -15.160 38.385 37.215 1.00 25.69 C ATOM 780 O GLN A 82 -16.175 37.734 37.581 1.00 29.43 O ATOM 781 CB GLN A 82 -12.871 37.590 37.734 1.00 26.76 C ATOM 782 CG GLN A 82 -11.782 36.498 37.757 1.00 39.32 C ATOM 783 CD GLN A 82 -10.775 36.858 38.938 1.00 47.96 C ATOM 784 OE1 GLN A 82 -9.538 36.817 38.775 1.00 52.57 O ATOM 785 NE2 GLN A 82 -11.341 37.318 40.081 1.00 47.03 N ATOM 786 HE22 GLN A 82 -12.376 37.336 40.178 1.00 0.00 H ATOM 787 HE21 GLN A 82 -10.740 37.653 40.861 1.00 0.00 H ATOM 788 H GLN A 82 -12.505 38.745 35.450 1.00 0.00 H ATOM 789 N VAL A 83 -15.082 39.723 37.374 1.00 24.18 N ATOM 790 CA VAL A 83 -16.086 40.449 38.107 1.00 22.46 C ATOM 791 C VAL A 83 -17.269 40.762 37.190 1.00 23.27 C ATOM 792 O VAL A 83 -18.433 40.725 37.641 1.00 23.72 O ATOM 793 CB VAL A 83 -15.520 41.807 38.720 1.00 23.67 C ATOM 794 CG1 VAL A 83 -16.596 42.674 39.379 1.00 25.44 C ATOM 795 CG2 VAL A 83 -14.348 41.492 39.740 1.00 24.15 C ATOM 796 H VAL A 83 -14.281 40.240 36.959 1.00 0.00 H ATOM 797 N TYR A 84 -16.982 41.127 35.929 1.00 20.37 N ATOM 798 CA TYR A 84 -18.046 41.662 35.043 1.00 19.60 C ATOM 799 C TYR A 84 -18.302 40.827 33.777 1.00 18.29 C ATOM 800 O TYR A 84 -19.117 41.229 32.976 1.00 18.06 O ATOM 801 CB TYR A 84 -17.654 43.124 34.617 1.00 19.50 C ATOM 802 CG TYR A 84 -17.668 44.094 35.755 1.00 19.36 C ATOM 803 CD1 TYR A 84 -16.476 44.738 36.113 1.00 22.77 C ATOM 804 CD2 TYR A 84 -18.795 44.407 36.466 1.00 17.03 C ATOM 805 CE1 TYR A 84 -16.428 45.634 37.079 1.00 20.43 C ATOM 806 CE2 TYR A 84 -18.736 45.342 37.566 1.00 19.92 C ATOM 807 CZ TYR A 84 -17.451 45.976 37.832 1.00 19.80 C ATOM 808 OH TYR A 84 -17.405 46.874 38.893 1.00 25.86 O ATOM 809 HH TYR A 84 -16.488 47.238 38.976 1.00 0.00 H ATOM 810 H TYR A 84 -16.010 41.034 35.572 1.00 0.00 H ATOM 811 N GLN A 85 -17.630 39.688 33.588 1.00 20.25 N ATOM 812 CA GLN A 85 -17.704 38.896 32.363 1.00 21.42 C ATOM 813 C GLN A 85 -17.489 39.733 31.143 1.00 21.03 C ATOM 814 O GLN A 85 -18.089 39.523 30.120 1.00 22.07 O ATOM 815 CB GLN A 85 -19.094 38.167 32.239 1.00 23.79 C ATOM 816 CG GLN A 85 -19.253 37.211 33.489 1.00 27.11 C ATOM 817 CD GLN A 85 -19.647 37.909 34.789 1.00 30.92 C ATOM 818 OE1 GLN A 85 -20.562 38.745 34.885 1.00 37.41 O ATOM 819 NE2 GLN A 85 -18.894 37.584 35.831 1.00 37.50 N ATOM 820 HE22 GLN A 85 -18.135 36.882 35.725 1.00 0.00 H ATOM 821 HE21 GLN A 85 -19.063 38.032 36.754 1.00 0.00 H ATOM 822 H GLN A 85 -17.019 39.346 34.357 1.00 0.00 H ATOM 823 N PHE A 86 -16.535 40.690 31.259 1.00 17.16 N ATOM 824 CA PHE A 86 -16.322 41.626 30.126 1.00 16.06 C ATOM 825 C PHE A 86 -14.937 41.435 29.521 1.00 16.05 C ATOM 826 O PHE A 86 -13.949 41.444 30.290 1.00 17.71 O ATOM 827 CB PHE A 86 -16.402 43.065 30.609 1.00 15.54 C ATOM 828 CG PHE A 86 -16.153 44.057 29.491 1.00 15.46 C ATOM 829 CD1 PHE A 86 -17.159 44.315 28.546 1.00 14.75 C ATOM 830 CD2 PHE A 86 -14.917 44.751 29.418 1.00 14.16 C ATOM 831 CE1 PHE A 86 -16.998 45.156 27.445 1.00 13.27 C ATOM 832 CE2 PHE A 86 -14.769 45.668 28.386 1.00 14.97 C ATOM 833 CZ PHE A 86 -15.744 45.891 27.389 1.00 13.90 C ATOM 834 H PHE A 86 -15.964 40.767 32.125 1.00 0.00 H ATOM 835 N GLU A 87 -14.909 41.281 28.200 1.00 16.30 N ATOM 836 CA GLU A 87 -13.641 41.181 27.447 1.00 18.27 C ATOM 837 C GLU A 87 -13.796 42.089 26.249 1.00 19.20 C ATOM 838 O GLU A 87 -14.894 42.390 25.804 1.00 20.29 O ATOM 839 CB GLU A 87 -13.398 39.728 26.929 1.00 21.24 C ATOM 840 CG GLU A 87 -13.199 38.726 28.092 1.00 27.22 C ATOM 841 CD GLU A 87 -12.962 37.309 27.593 1.00 37.21 C ATOM 842 OE1 GLU A 87 -13.901 36.490 27.764 1.00 37.39 O ATOM 843 OE2 GLU A 87 -11.854 37.002 27.105 1.00 40.03 O ATOM 844 H GLU A 87 -15.808 41.229 27.680 1.00 0.00 H ATOM 845 N TYR A 88 -12.698 42.640 25.813 1.00 19.14 N ATOM 846 CA TYR A 88 -12.767 43.682 24.787 1.00 16.76 C ATOM 847 C TYR A 88 -11.711 43.460 23.703 1.00 17.21 C ATOM 848 O TYR A 88 -11.422 44.361 22.910 1.00 16.91 O ATOM 849 CB TYR A 88 -12.636 45.142 25.386 1.00 16.58 C ATOM 850 CG TYR A 88 -11.368 45.351 26.132 1.00 16.84 C ATOM 851 CD1 TYR A 88 -10.279 45.981 25.561 1.00 19.37 C ATOM 852 CD2 TYR A 88 -11.229 44.901 27.487 1.00 17.37 C ATOM 853 CE1 TYR A 88 -9.093 46.184 26.315 1.00 19.70 C ATOM 854 CE2 TYR A 88 -10.102 45.116 28.233 1.00 16.01 C ATOM 855 CZ TYR A 88 -8.971 45.712 27.613 1.00 17.93 C ATOM 856 OH TYR A 88 -7.869 45.858 28.356 1.00 20.33 O ATOM 857 HH TYR A 88 -7.562 44.970 28.667 1.00 0.00 H ATOM 858 H TYR A 88 -11.777 42.341 26.192 1.00 0.00 H ATOM 859 N GLU A 89 -11.220 42.221 23.567 1.00 19.17 N ATOM 860 CA GLU A 89 -10.344 41.875 22.444 1.00 20.24 C ATOM 861 C GLU A 89 -10.971 42.128 21.087 1.00 20.25 C ATOM 862 O GLU A 89 -10.284 42.703 20.210 1.00 18.91 O ATOM 863 CB GLU A 89 -9.862 40.424 22.652 1.00 21.99 C ATOM 864 CG GLU A 89 -8.983 39.928 21.540 1.00 25.32 C ATOM 865 CD GLU A 89 -7.530 40.377 21.714 1.00 30.72 C ATOM 866 OE1 GLU A 89 -7.227 41.097 22.714 1.00 26.32 O ATOM 867 OE2 GLU A 89 -6.680 40.020 20.845 1.00 29.14 O ATOM 868 H GLU A 89 -11.464 41.494 24.269 1.00 0.00 H ATOM 869 N SER A 90 -12.244 41.720 20.834 1.00 20.34 N ATOM 870 CA SER A 90 -12.865 41.937 19.553 1.00 20.82 C ATOM 871 C SER A 90 -12.964 43.381 19.144 1.00 18.78 C ATOM 872 O SER A 90 -12.755 43.736 18.010 1.00 19.76 O ATOM 873 CB SER A 90 -14.310 41.383 19.530 1.00 24.81 C ATOM 874 OG SER A 90 -14.190 40.001 19.725 1.00 35.90 O ATOM 875 HG SER A 90 -13.752 39.829 20.596 1.00 0.00 H ATOM 876 H SER A 90 -12.782 41.240 21.584 1.00 0.00 H ATOM 877 N LEU A 91 -13.326 44.254 20.110 1.00 17.99 N ATOM 878 CA LEU A 91 -13.473 45.623 19.711 1.00 16.61 C ATOM 879 C LEU A 91 -12.045 46.247 19.463 1.00 15.75 C ATOM 880 O LEU A 91 -11.948 47.165 18.589 1.00 17.17 O ATOM 881 CB LEU A 91 -14.337 46.431 20.668 1.00 20.40 C ATOM 882 CG LEU A 91 -13.676 46.776 21.938 1.00 17.64 C ATOM 883 CD1 LEU A 91 -12.899 48.155 21.792 1.00 19.47 C ATOM 884 CD2 LEU A 91 -14.820 47.029 23.010 1.00 21.80 C ATOM 885 H LEU A 91 -13.489 43.949 21.091 1.00 0.00 H ATOM 886 N LEU A 92 -11.059 45.782 20.189 1.00 15.89 N ATOM 887 CA LEU A 92 -9.693 46.321 19.891 1.00 16.48 C ATOM 888 C LEU A 92 -9.224 45.880 18.500 1.00 17.98 C ATOM 889 O LEU A 92 -8.706 46.668 17.707 1.00 16.75 O ATOM 890 CB LEU A 92 -8.662 45.786 20.820 1.00 16.80 C ATOM 891 CG LEU A 92 -8.692 46.181 22.263 1.00 22.34 C ATOM 892 CD1 LEU A 92 -7.357 45.661 22.841 1.00 22.89 C ATOM 893 CD2 LEU A 92 -8.560 47.736 22.296 1.00 25.01 C ATOM 894 H LEU A 92 -11.216 45.074 20.935 1.00 0.00 H ATOM 895 N ARG A 93 -9.496 44.593 18.184 1.00 16.66 N ATOM 896 CA ARG A 93 -9.086 44.082 16.834 1.00 19.46 C ATOM 897 C ARG A 93 -9.818 44.821 15.737 1.00 18.51 C ATOM 898 O ARG A 93 -9.221 45.284 14.714 1.00 18.07 O ATOM 899 CB ARG A 93 -9.333 42.535 16.745 1.00 20.43 C ATOM 900 CG ARG A 93 -9.195 42.002 15.286 1.00 22.99 C ATOM 901 CD ARG A 93 -9.353 40.369 15.280 1.00 31.24 C ATOM 902 NE ARG A 93 -10.794 40.127 15.462 1.00 42.74 N ATOM 903 CZ ARG A 93 -11.405 39.610 16.555 1.00 46.33 C ATOM 904 NH1 ARG A 93 -12.730 39.512 16.514 1.00 43.85 N ATOM 905 NH2 ARG A 93 -10.743 39.198 17.679 1.00 42.33 N ATOM 906 HE ARG A 93 -11.410 40.381 14.664 1.00 0.00 H ATOM 907 HH12 ARG A 93 -13.248 39.122 17.327 1.00 0.00 H ATOM 908 HH11 ARG A 93 -13.249 39.825 15.669 1.00 0.00 H ATOM 909 HH22 ARG A 93 -11.276 38.810 18.483 1.00 0.00 H ATOM 910 HH21 ARG A 93 -9.707 39.273 17.729 1.00 0.00 H ATOM 911 H ARG A 93 -9.979 43.971 18.863 1.00 0.00 H ATOM 912 N ARG A 94 -11.179 45.019 15.853 1.00 16.61 N ATOM 913 CA ARG A 94 -11.906 45.816 14.887 1.00 17.88 C ATOM 914 C ARG A 94 -11.387 47.228 14.723 1.00 17.23 C ATOM 915 O ARG A 94 -11.269 47.768 13.615 1.00 19.68 O ATOM 916 CB ARG A 94 -13.438 45.828 15.149 1.00 19.28 C ATOM 917 CG ARG A 94 -14.045 44.383 14.971 1.00 30.52 C ATOM 918 CD ARG A 94 -15.620 44.416 14.960 1.00 40.10 C ATOM 919 NE ARG A 94 -16.044 43.185 15.600 1.00 48.86 N ATOM 920 CZ ARG A 94 -16.382 43.064 16.888 1.00 50.11 C ATOM 921 NH1 ARG A 94 -16.394 44.090 17.684 1.00 40.52 N ATOM 922 NH2 ARG A 94 -16.736 41.883 17.382 1.00 51.89 N ATOM 923 HE ARG A 94 -16.089 42.329 15.011 1.00 0.00 H ATOM 924 HH12 ARG A 94 -16.661 43.971 18.682 1.00 0.00 H ATOM 925 HH11 ARG A 94 -16.137 45.031 17.323 1.00 0.00 H ATOM 926 HH22 ARG A 94 -16.998 41.796 18.385 1.00 0.00 H ATOM 927 HH21 ARG A 94 -16.751 41.045 16.766 1.00 0.00 H ATOM 928 H ARG A 94 -11.692 44.588 16.649 1.00 0.00 H ATOM 929 N SER A 95 -11.101 47.852 15.876 1.00 15.92 N ATOM 930 CA SER A 95 -10.608 49.227 15.813 1.00 15.00 C ATOM 931 C SER A 95 -9.278 49.320 15.054 1.00 14.05 C ATOM 932 O SER A 95 -9.144 50.257 14.282 1.00 14.94 O ATOM 933 CB SER A 95 -10.348 49.827 17.250 1.00 16.36 C ATOM 934 OG SER A 95 -11.578 49.736 18.049 1.00 15.85 O ATOM 935 HG SER A 95 -11.847 48.787 18.131 1.00 0.00 H ATOM 936 H SER A 95 -11.227 47.371 16.789 1.00 0.00 H ATOM 937 N ALA A 96 -8.393 48.363 15.298 1.00 15.10 N ATOM 938 CA ALA A 96 -6.993 48.402 14.672 1.00 15.52 C ATOM 939 C ALA A 96 -7.174 48.173 13.171 1.00 16.65 C ATOM 940 O ALA A 96 -6.572 48.892 12.390 1.00 17.36 O ATOM 941 CB ALA A 96 -6.204 47.364 15.202 1.00 14.71 C ATOM 942 H ALA A 96 -8.652 47.574 15.924 1.00 0.00 H ATOM 943 N ILE A 97 -8.076 47.241 12.758 1.00 17.18 N ATOM 944 CA ILE A 97 -8.225 46.922 11.308 1.00 18.95 C ATOM 945 C ILE A 97 -8.904 48.022 10.566 1.00 17.30 C ATOM 946 O ILE A 97 -8.521 48.455 9.431 1.00 19.38 O ATOM 947 CB ILE A 97 -8.910 45.563 11.174 1.00 20.37 C ATOM 948 CG1 ILE A 97 -8.031 44.509 11.772 1.00 24.87 C ATOM 949 CG2 ILE A 97 -9.207 45.286 9.665 1.00 23.14 C ATOM 950 CD1 ILE A 97 -8.715 43.054 11.841 1.00 27.95 C ATOM 951 H ILE A 97 -8.666 46.748 13.458 1.00 0.00 H ATOM 952 N ALA A 98 -9.916 48.657 11.175 1.00 17.31 N ATOM 953 CA ALA A 98 -10.621 49.731 10.558 1.00 17.98 C ATOM 954 C ALA A 98 -9.900 51.055 10.547 1.00 16.91 C ATOM 955 O ALA A 98 -10.079 51.901 9.669 1.00 18.50 O ATOM 956 CB ALA A 98 -12.039 49.944 11.278 1.00 18.01 C ATOM 957 H ALA A 98 -10.196 48.355 12.130 1.00 0.00 H ATOM 958 N SER A 99 -9.068 51.273 11.602 1.00 15.09 N ATOM 959 CA SER A 99 -8.631 52.630 11.812 1.00 13.65 C ATOM 960 C SER A 99 -7.071 52.858 11.729 1.00 15.39 C ATOM 961 O SER A 99 -6.627 54.013 11.926 1.00 17.05 O ATOM 962 CB SER A 99 -9.002 53.079 13.245 1.00 17.07 C ATOM 963 OG SER A 99 -10.445 53.034 13.388 1.00 15.92 O ATOM 964 HG SER A 99 -10.762 52.109 13.232 1.00 0.00 H ATOM 965 H SER A 99 -8.763 50.499 12.226 1.00 0.00 H ATOM 966 N SER A 100 -6.351 51.778 11.448 1.00 16.36 N ATOM 967 CA SER A 100 -4.883 51.958 11.360 1.00 18.38 C ATOM 968 C SER A 100 -4.402 51.199 10.089 1.00 16.22 C ATOM 969 O SER A 100 -4.602 49.987 10.006 1.00 17.41 O ATOM 970 CB SER A 100 -4.242 51.328 12.634 1.00 19.05 C ATOM 971 OG SER A 100 -2.841 51.769 12.479 1.00 26.76 O ATOM 972 HG SER A 100 -2.304 51.431 13.239 1.00 0.00 H ATOM 973 H SER A 100 -6.796 50.850 11.297 1.00 0.00 H ATOM 974 N PRO A 101 -3.658 51.892 9.196 1.00 18.08 N ATOM 975 CA PRO A 101 -3.154 51.123 7.999 1.00 17.10 C ATOM 976 C PRO A 101 -2.306 49.891 8.293 1.00 19.58 C ATOM 977 O PRO A 101 -2.409 48.871 7.590 1.00 19.44 O ATOM 978 CB PRO A 101 -2.298 52.150 7.264 1.00 16.96 C ATOM 979 CG PRO A 101 -2.939 53.401 7.580 1.00 18.73 C ATOM 980 CD PRO A 101 -3.480 53.352 9.069 1.00 20.45 C ATOM 981 N ASP A 102 -1.557 49.925 9.436 1.00 17.80 N ATOM 982 CA ASP A 102 -0.734 48.821 9.796 1.00 18.75 C ATOM 983 C ASP A 102 -1.427 47.761 10.670 1.00 17.79 C ATOM 984 O ASP A 102 -0.773 46.782 11.048 1.00 19.00 O ATOM 985 CB ASP A 102 0.549 49.367 10.508 1.00 19.92 C ATOM 986 CG ASP A 102 0.265 50.007 11.833 1.00 21.09 C ATOM 987 OD1 ASP A 102 1.217 50.474 12.519 1.00 26.17 O ATOM 988 OD2 ASP A 102 -0.938 50.160 12.172 1.00 22.25 O ATOM 989 H ASP A 102 -1.589 50.765 10.048 1.00 0.00 H ATOM 990 N ARG A 103 -2.730 47.952 10.975 1.00 17.21 N ATOM 991 CA ARG A 103 -3.477 47.035 11.816 1.00 17.60 C ATOM 992 C ARG A 103 -2.887 46.940 13.200 1.00 17.46 C ATOM 993 O ARG A 103 -3.060 45.933 13.892 1.00 18.03 O ATOM 994 CB ARG A 103 -3.606 45.579 11.158 1.00 19.95 C ATOM 995 CG ARG A 103 -4.196 45.657 9.707 1.00 23.65 C ATOM 996 CD ARG A 103 -3.893 44.249 8.979 1.00 30.14 C ATOM 997 NE ARG A 103 -4.424 43.075 9.672 1.00 33.31 N ATOM 998 CZ ARG A 103 -5.612 42.497 9.377 1.00 32.05 C ATOM 999 NH1 ARG A 103 -6.413 43.043 8.452 1.00 33.23 N ATOM 1000 NH2 ARG A 103 -6.018 41.424 10.047 1.00 32.59 N ATOM 1001 HE ARG A 103 -3.855 42.660 10.437 1.00 0.00 H ATOM 1002 HH12 ARG A 103 -7.325 42.598 8.226 1.00 0.00 H ATOM 1003 HH11 ARG A 103 -6.122 43.912 7.960 1.00 0.00 H ATOM 1004 HH22 ARG A 103 -6.931 40.983 9.818 1.00 0.00 H ATOM 1005 HH21 ARG A 103 -5.423 41.026 10.801 1.00 0.00 H ATOM 1006 H ARG A 103 -3.216 48.788 10.592 1.00 0.00 H ATOM 1007 N CYS A 104 -2.192 47.997 13.637 1.00 17.88 N ATOM 1008 CA CYS A 104 -1.535 47.964 14.993 1.00 16.95 C ATOM 1009 C CYS A 104 -2.000 49.217 15.761 1.00 18.51 C ATOM 1010 O CYS A 104 -2.202 50.282 15.218 1.00 19.30 O ATOM 1011 CB CYS A 104 -0.024 48.096 14.924 1.00 20.88 C ATOM 1012 SG CYS A 104 0.761 46.623 14.084 1.00 29.87 S ATOM 1013 H CYS A 104 -2.105 48.844 13.039 1.00 0.00 H ATOM 1014 N ILE A 105 -2.191 49.021 17.068 1.00 17.92 N ATOM 1015 CA ILE A 105 -2.618 50.156 17.890 1.00 15.69 C ATOM 1016 C ILE A 105 -1.837 50.033 19.190 1.00 14.38 C ATOM 1017 O ILE A 105 -1.233 49.010 19.520 1.00 16.64 O ATOM 1018 CB ILE A 105 -4.120 50.116 18.219 1.00 17.25 C ATOM 1019 CG1 ILE A 105 -4.472 48.830 18.955 1.00 17.48 C ATOM 1020 CG2 ILE A 105 -4.955 50.385 16.937 1.00 19.20 C ATOM 1021 CD1 ILE A 105 -5.934 48.841 19.517 1.00 23.25 C ATOM 1022 H ILE A 105 -2.040 48.084 17.493 1.00 0.00 H ATOM 1023 N THR A 106 -1.794 51.132 19.957 1.00 13.32 N ATOM 1024 CA THR A 106 -1.389 51.043 21.381 1.00 14.76 C ATOM 1025 C THR A 106 -2.635 51.102 22.276 1.00 12.73 C ATOM 1026 O THR A 106 -3.472 51.958 22.008 1.00 14.43 O ATOM 1027 CB THR A 106 -0.595 52.282 21.718 1.00 15.99 C ATOM 1028 OG1 THR A 106 0.708 52.185 20.989 1.00 19.05 O ATOM 1029 CG2 THR A 106 -0.193 52.297 23.228 1.00 18.61 C ATOM 1030 HG1 THR A 106 0.537 52.135 20.015 1.00 0.00 H ATOM 1031 H THR A 106 -2.047 52.055 19.550 1.00 0.00 H ATOM 1032 N LEU A 107 -2.791 50.135 23.125 1.00 12.91 N ATOM 1033 CA LEU A 107 -3.864 50.210 24.150 1.00 13.52 C ATOM 1034 C LEU A 107 -3.288 50.859 25.380 1.00 13.17 C ATOM 1035 O LEU A 107 -2.278 50.380 25.865 1.00 13.87 O ATOM 1036 CB LEU A 107 -4.352 48.771 24.458 1.00 15.50 C ATOM 1037 CG LEU A 107 -5.260 48.765 25.699 1.00 18.16 C ATOM 1038 CD1 LEU A 107 -6.599 49.422 25.338 1.00 16.92 C ATOM 1039 CD2 LEU A 107 -5.390 47.271 26.204 1.00 23.35 C ATOM 1040 H LEU A 107 -2.164 49.306 23.089 1.00 0.00 H ATOM 1041 N GLU A 108 -3.897 51.926 25.864 1.00 11.21 N ATOM 1042 CA GLU A 108 -3.441 52.562 27.128 1.00 10.88 C ATOM 1043 C GLU A 108 -4.596 52.469 28.074 1.00 11.75 C ATOM 1044 O GLU A 108 -5.692 53.016 27.797 1.00 11.39 O ATOM 1045 CB GLU A 108 -2.958 54.000 26.871 1.00 11.59 C ATOM 1046 CG GLU A 108 -2.509 54.569 28.272 1.00 12.70 C ATOM 1047 CD GLU A 108 -1.864 55.904 28.149 1.00 18.14 C ATOM 1048 OE1 GLU A 108 -1.432 56.323 27.006 1.00 19.72 O ATOM 1049 OE2 GLU A 108 -1.735 56.602 29.211 1.00 18.89 O ATOM 1050 H GLU A 108 -4.709 52.328 25.353 1.00 0.00 H ATOM 1051 N LYS A 109 -4.413 51.738 29.158 1.00 10.52 N ATOM 1052 CA LYS A 109 -5.567 51.456 30.047 1.00 10.61 C ATOM 1053 C LYS A 109 -5.213 51.907 31.519 1.00 10.64 C ATOM 1054 O LYS A 109 -4.051 51.747 31.989 1.00 10.66 O ATOM 1055 CB LYS A 109 -5.752 49.915 30.099 1.00 15.33 C ATOM 1056 CG LYS A 109 -6.712 49.510 30.995 1.00 20.10 C ATOM 1057 CD LYS A 109 -6.535 47.872 31.042 1.00 21.15 C ATOM 1058 CE LYS A 109 -7.507 47.486 32.023 1.00 24.22 C ATOM 1059 NZ LYS A 109 -7.294 46.048 32.375 1.00 30.62 N ATOM 1060 HZ1 LYS A 109 -7.403 45.464 31.522 1.00 0.00 H ATOM 1061 HZ2 LYS A 109 -6.336 45.925 32.761 1.00 0.00 H ATOM 1062 HZ3 LYS A 109 -7.995 45.759 33.087 1.00 0.00 H ATOM 1063 H LYS A 109 -3.470 51.364 29.386 1.00 0.00 H ATOM 1064 N SER A 110 -6.155 52.530 32.219 1.00 10.41 N ATOM 1065 CA SER A 110 -5.916 52.899 33.610 1.00 8.71 C ATOM 1066 C SER A 110 -5.657 51.684 34.464 1.00 10.95 C ATOM 1067 O SER A 110 -6.255 50.584 34.266 1.00 12.45 O ATOM 1068 CB SER A 110 -7.162 53.579 34.176 1.00 10.78 C ATOM 1069 OG SER A 110 -6.946 53.763 35.592 1.00 13.16 O ATOM 1070 HG SER A 110 -7.738 54.203 35.991 1.00 0.00 H ATOM 1071 H SER A 110 -7.067 52.756 31.773 1.00 0.00 H ATOM 1072 N THR A 111 -4.690 51.777 35.430 1.00 9.74 N ATOM 1073 CA THR A 111 -4.323 50.689 36.350 1.00 9.75 C ATOM 1074 C THR A 111 -4.674 51.017 37.785 1.00 11.37 C ATOM 1075 O THR A 111 -4.188 50.322 38.683 1.00 15.06 O ATOM 1076 CB THR A 111 -2.845 50.317 36.223 1.00 12.98 C ATOM 1077 OG1 THR A 111 -2.071 51.488 36.494 1.00 16.46 O ATOM 1078 CG2 THR A 111 -2.567 49.755 34.809 1.00 17.55 C ATOM 1079 HG1 THR A 111 -2.267 51.807 37.411 1.00 0.00 H ATOM 1080 H THR A 111 -4.180 52.679 35.519 1.00 0.00 H ATOM 1081 N GLN A 112 -5.389 52.109 38.038 1.00 8.90 N ATOM 1082 CA GLN A 112 -5.680 52.535 39.413 1.00 9.19 C ATOM 1083 C GLN A 112 -7.178 52.777 39.517 1.00 9.12 C ATOM 1084 O GLN A 112 -7.896 53.107 38.532 1.00 10.55 O ATOM 1085 CB GLN A 112 -4.960 53.884 39.788 1.00 9.16 C ATOM 1086 CG GLN A 112 -3.451 53.599 39.958 1.00 9.90 C ATOM 1087 CD GLN A 112 -2.742 54.869 40.320 1.00 9.34 C ATOM 1088 OE1 GLN A 112 -3.128 55.932 39.833 1.00 8.52 O ATOM 1089 NE2 GLN A 112 -1.771 54.811 41.233 1.00 9.47 N ATOM 1090 HE22 GLN A 112 -1.475 53.892 41.619 1.00 0.00 H ATOM 1091 HE21 GLN A 112 -1.310 55.685 41.559 1.00 0.00 H ATOM 1092 H GLN A 112 -5.751 52.675 37.244 1.00 0.00 H ATOM 1093 N SER A 113 -7.670 52.732 40.772 1.00 9.94 N ATOM 1094 CA SER A 113 -9.085 53.087 40.976 1.00 10.56 C ATOM 1095 C SER A 113 -9.226 54.543 41.391 1.00 10.98 C ATOM 1096 O SER A 113 -8.467 55.040 42.263 1.00 10.57 O ATOM 1097 CB SER A 113 -9.561 52.250 42.206 1.00 9.26 C ATOM 1098 OG SER A 113 -9.378 50.822 42.103 1.00 14.80 O ATOM 1099 HG SER A 113 -9.884 50.481 41.323 1.00 0.00 H ATOM 1100 H SER A 113 -7.067 52.455 41.573 1.00 0.00 H ATOM 1101 N VAL A 114 -10.224 55.223 40.840 1.00 10.53 N ATOM 1102 CA VAL A 114 -10.639 56.541 41.315 1.00 9.00 C ATOM 1103 C VAL A 114 -11.894 56.509 42.196 1.00 10.31 C ATOM 1104 O VAL A 114 -12.195 57.492 42.846 1.00 10.93 O ATOM 1105 CB VAL A 114 -10.820 57.622 40.280 1.00 11.67 C ATOM 1106 CG1 VAL A 114 -9.449 57.829 39.577 1.00 15.07 C ATOM 1107 CG2 VAL A 114 -11.931 57.229 39.232 1.00 12.20 C ATOM 1108 H VAL A 114 -10.732 54.800 40.037 1.00 0.00 H ATOM 1109 N GLN A 115 -12.582 55.343 42.104 1.00 11.77 N ATOM 1110 CA GLN A 115 -13.958 55.187 42.682 1.00 13.80 C ATOM 1111 C GLN A 115 -13.858 54.316 43.952 1.00 10.74 C ATOM 1112 O GLN A 115 -13.122 53.368 44.025 1.00 12.80 O ATOM 1113 CB GLN A 115 -14.846 54.473 41.544 1.00 13.72 C ATOM 1114 CG GLN A 115 -16.269 54.476 41.959 1.00 18.98 C ATOM 1115 CD GLN A 115 -17.095 53.826 40.885 1.00 23.92 C ATOM 1116 OE1 GLN A 115 -18.117 53.096 41.176 1.00 27.74 O ATOM 1117 NE2 GLN A 115 -16.778 54.130 39.722 1.00 20.76 N ATOM 1118 HE22 GLN A 115 -15.941 54.723 39.549 1.00 0.00 H ATOM 1119 HE21 GLN A 115 -17.350 53.791 38.922 1.00 0.00 H ATOM 1120 H GLN A 115 -12.143 54.534 41.619 1.00 0.00 H ATOM 1121 N GLY A 116 -14.767 54.691 44.884 1.00 12.31 N ATOM 1122 CA GLY A 116 -14.820 53.826 46.088 1.00 12.73 C ATOM 1123 C GLY A 116 -15.674 52.585 45.821 1.00 13.07 C ATOM 1124 O GLY A 116 -16.447 52.485 44.875 1.00 12.11 O ATOM 1125 H GLY A 116 -15.381 55.522 44.764 1.00 0.00 H ATOM 1126 N PRO A 117 -15.450 51.585 46.623 1.00 14.93 N ATOM 1127 CA PRO A 117 -15.936 50.230 46.341 1.00 17.15 C ATOM 1128 C PRO A 117 -17.516 50.195 46.508 1.00 15.99 C ATOM 1129 O PRO A 117 -18.076 49.273 45.862 1.00 18.69 O ATOM 1130 CB PRO A 117 -15.190 49.356 47.398 1.00 18.73 C ATOM 1131 CG PRO A 117 -14.883 50.272 48.465 1.00 20.87 C ATOM 1132 CD PRO A 117 -14.637 51.720 47.833 1.00 16.31 C ATOM 1133 N ASN A 118 -18.106 51.148 47.146 1.00 15.40 N ATOM 1134 CA ASN A 118 -19.611 51.153 47.313 1.00 15.43 C ATOM 1135 C ASN A 118 -20.215 52.248 46.522 1.00 15.41 C ATOM 1136 O ASN A 118 -21.388 52.583 46.646 1.00 15.09 O ATOM 1137 CB ASN A 118 -19.918 51.369 48.830 1.00 13.54 C ATOM 1138 CG ASN A 118 -19.454 50.181 49.657 1.00 18.16 C ATOM 1139 OD1 ASN A 118 -19.764 49.046 49.324 1.00 20.52 O ATOM 1140 ND2 ASN A 118 -18.654 50.456 50.687 1.00 22.07 N ATOM 1141 HD22 ASN A 118 -18.427 51.444 50.920 1.00 0.00 H ATOM 1142 HD21 ASN A 118 -18.256 49.683 51.258 1.00 0.00 H ATOM 1143 H ASN A 118 -17.541 51.922 47.551 1.00 0.00 H ATOM 1144 N SER A 119 -19.422 52.990 45.681 1.00 12.40 N ATOM 1145 CA SER A 119 -19.977 54.072 44.944 1.00 11.74 C ATOM 1146 C SER A 119 -20.695 53.707 43.620 1.00 11.31 C ATOM 1147 O SER A 119 -20.332 52.692 43.023 1.00 13.78 O ATOM 1148 CB SER A 119 -18.712 54.967 44.566 1.00 11.96 C ATOM 1149 OG SER A 119 -19.185 56.016 43.698 1.00 13.05 O ATOM 1150 HG SER A 119 -18.426 56.596 43.440 1.00 0.00 H ATOM 1151 H SER A 119 -18.413 52.760 45.583 1.00 0.00 H ATOM 1152 N ALA A 120 -21.699 54.552 43.282 1.00 11.55 N ATOM 1153 CA ALA A 120 -22.384 54.370 42.055 1.00 11.95 C ATOM 1154 C ALA A 120 -22.120 55.424 40.997 1.00 15.13 C ATOM 1155 O ALA A 120 -22.927 55.721 40.119 1.00 14.03 O ATOM 1156 CB ALA A 120 -23.941 54.202 42.280 1.00 14.13 C ATOM 1157 H ALA A 120 -21.965 55.329 43.919 1.00 0.00 H ATOM 1158 N ALA A 121 -20.916 56.015 41.149 1.00 12.29 N ATOM 1159 CA ALA A 121 -20.572 57.125 40.250 1.00 10.88 C ATOM 1160 C ALA A 121 -19.727 56.790 39.026 1.00 11.84 C ATOM 1161 O ALA A 121 -19.273 57.752 38.336 1.00 11.19 O ATOM 1162 CB ALA A 121 -19.764 58.155 41.107 1.00 12.60 C ATOM 1163 H ALA A 121 -20.251 55.694 41.881 1.00 0.00 H ATOM 1164 N CYS A 122 -19.662 55.523 38.664 1.00 11.32 N ATOM 1165 CA CYS A 122 -18.832 55.097 37.488 1.00 11.07 C ATOM 1166 C CYS A 122 -19.155 55.890 36.240 1.00 10.69 C ATOM 1167 O CYS A 122 -18.196 56.310 35.560 1.00 11.38 O ATOM 1168 CB CYS A 122 -18.868 53.569 37.216 1.00 10.96 C ATOM 1169 SG CYS A 122 -20.683 52.997 37.022 1.00 16.86 S ATOM 1170 H CYS A 122 -20.194 54.809 39.201 1.00 0.00 H ATOM 1171 N GLY A 123 -20.446 56.073 35.865 1.00 10.70 N ATOM 1172 CA GLY A 123 -20.715 56.749 34.599 1.00 11.80 C ATOM 1173 C GLY A 123 -20.273 58.201 34.663 1.00 9.63 C ATOM 1174 O GLY A 123 -19.852 58.747 33.606 1.00 10.80 O ATOM 1175 H GLY A 123 -21.227 55.739 36.466 1.00 0.00 H ATOM 1176 N LEU A 124 -20.455 58.858 35.849 1.00 9.54 N ATOM 1177 CA LEU A 124 -20.026 60.218 35.954 1.00 9.15 C ATOM 1178 C LEU A 124 -18.475 60.357 35.841 1.00 9.65 C ATOM 1179 O LEU A 124 -17.996 61.285 35.134 1.00 9.48 O ATOM 1180 CB LEU A 124 -20.437 60.832 37.304 1.00 9.93 C ATOM 1181 CG LEU A 124 -22.005 60.792 37.472 1.00 12.87 C ATOM 1182 CD1 LEU A 124 -22.338 61.467 38.842 1.00 13.11 C ATOM 1183 CD2 LEU A 124 -22.737 61.584 36.346 1.00 12.22 C ATOM 1184 H LEU A 124 -20.897 58.378 36.659 1.00 0.00 H ATOM 1185 N PHE A 125 -17.746 59.431 36.465 1.00 9.83 N ATOM 1186 CA PHE A 125 -16.286 59.495 36.291 1.00 9.56 C ATOM 1187 C PHE A 125 -15.907 59.327 34.806 1.00 10.31 C ATOM 1188 O PHE A 125 -14.956 59.973 34.330 1.00 9.33 O ATOM 1189 CB PHE A 125 -15.579 58.405 37.138 1.00 9.28 C ATOM 1190 CG PHE A 125 -15.352 58.768 38.575 1.00 9.83 C ATOM 1191 CD1 PHE A 125 -15.962 58.004 39.562 1.00 11.08 C ATOM 1192 CD2 PHE A 125 -14.511 59.836 38.924 1.00 10.47 C ATOM 1193 CE1 PHE A 125 -15.760 58.338 40.948 1.00 12.96 C ATOM 1194 CE2 PHE A 125 -14.318 60.147 40.269 1.00 10.34 C ATOM 1195 CZ PHE A 125 -14.928 59.428 41.290 1.00 10.07 C ATOM 1196 H PHE A 125 -18.190 58.695 37.050 1.00 0.00 H ATOM 1197 N CYS A 126 -16.640 58.490 34.049 1.00 8.61 N ATOM 1198 CA CYS A 126 -16.306 58.334 32.632 1.00 9.42 C ATOM 1199 C CYS A 126 -16.531 59.620 31.889 1.00 11.30 C ATOM 1200 O CYS A 126 -15.775 59.948 30.983 1.00 10.61 O ATOM 1201 CB CYS A 126 -17.259 57.222 32.029 1.00 11.32 C ATOM 1202 SG CYS A 126 -16.808 55.555 32.578 1.00 11.97 S ATOM 1203 H CYS A 126 -17.433 57.961 34.465 1.00 0.00 H ATOM 1204 N CYS A 127 -17.608 60.369 32.259 1.00 9.69 N ATOM 1205 CA CYS A 127 -17.868 61.659 31.572 1.00 10.66 C ATOM 1206 C CYS A 127 -16.689 62.621 31.872 1.00 9.58 C ATOM 1207 O CYS A 127 -16.201 63.335 30.960 1.00 11.03 O ATOM 1208 CB CYS A 127 -19.042 62.371 32.163 1.00 11.07 C ATOM 1209 SG CYS A 127 -20.620 61.479 31.732 1.00 13.91 S ATOM 1210 H CYS A 127 -18.241 60.040 33.015 1.00 0.00 H ATOM 1211 N MET A 128 -16.167 62.632 33.111 1.00 9.92 N ATOM 1212 CA MET A 128 -15.032 63.534 33.439 1.00 9.57 C ATOM 1213 C MET A 128 -13.787 63.105 32.644 1.00 9.26 C ATOM 1214 O MET A 128 -13.077 63.977 32.090 1.00 9.68 O ATOM 1215 CB MET A 128 -14.799 63.379 34.938 1.00 11.42 C ATOM 1216 CG MET A 128 -13.727 64.369 35.421 1.00 11.69 C ATOM 1217 SD MET A 128 -13.761 64.323 37.284 1.00 13.01 S ATOM 1218 CE MET A 128 -12.563 65.717 37.549 1.00 13.31 C ATOM 1219 H MET A 128 -16.559 62.006 33.843 1.00 0.00 H ATOM 1220 N PHE A 129 -13.526 61.765 32.545 1.00 8.34 N ATOM 1221 CA PHE A 129 -12.347 61.356 31.743 1.00 5.85 C ATOM 1222 C PHE A 129 -12.517 61.819 30.269 1.00 8.14 C ATOM 1223 O PHE A 129 -11.564 62.208 29.578 1.00 8.73 O ATOM 1224 CB PHE A 129 -12.220 59.816 31.775 1.00 8.46 C ATOM 1225 CG PHE A 129 -11.252 59.304 30.775 1.00 7.54 C ATOM 1226 CD1 PHE A 129 -9.871 59.362 31.091 1.00 9.40 C ATOM 1227 CD2 PHE A 129 -11.660 58.776 29.538 1.00 8.95 C ATOM 1228 CE1 PHE A 129 -8.924 58.898 30.173 1.00 9.27 C ATOM 1229 CE2 PHE A 129 -10.716 58.321 28.595 1.00 9.27 C ATOM 1230 CZ PHE A 129 -9.328 58.364 28.935 1.00 11.33 C ATOM 1231 H PHE A 129 -14.131 61.061 33.014 1.00 0.00 H ATOM 1232 N LEU A 130 -13.780 61.766 29.714 1.00 8.62 N ATOM 1233 CA LEU A 130 -13.942 62.175 28.298 1.00 8.90 C ATOM 1234 C LEU A 130 -13.782 63.696 28.144 1.00 8.22 C ATOM 1235 O LEU A 130 -13.325 64.065 27.044 1.00 10.26 O ATOM 1236 CB LEU A 130 -15.309 61.668 27.753 1.00 8.55 C ATOM 1237 CG LEU A 130 -15.293 60.137 27.599 1.00 10.22 C ATOM 1238 CD1 LEU A 130 -16.690 59.781 26.932 1.00 14.23 C ATOM 1239 CD2 LEU A 130 -14.101 59.600 26.725 1.00 10.56 C ATOM 1240 H LEU A 130 -14.596 61.448 30.274 1.00 0.00 H ATOM 1241 N HIS A 131 -14.085 64.546 29.148 1.00 8.28 N ATOM 1242 CA HIS A 131 -13.707 65.947 29.023 1.00 8.43 C ATOM 1243 C HIS A 131 -12.160 66.047 28.899 1.00 9.28 C ATOM 1244 O HIS A 131 -11.614 66.823 28.056 1.00 9.12 O ATOM 1245 CB HIS A 131 -14.199 66.702 30.253 1.00 9.47 C ATOM 1246 CG HIS A 131 -13.766 68.112 30.187 1.00 9.81 C ATOM 1247 ND1 HIS A 131 -12.621 68.581 30.807 1.00 10.67 N ATOM 1248 CD2 HIS A 131 -14.408 69.192 29.660 1.00 10.35 C ATOM 1249 CE1 HIS A 131 -12.560 69.910 30.642 1.00 12.56 C ATOM 1250 NE2 HIS A 131 -13.628 70.310 29.930 1.00 12.76 N ATOM 1251 H HIS A 131 -14.580 64.206 29.997 1.00 0.00 H ATOM 1252 N ALA A 132 -11.450 65.265 29.727 1.00 8.09 N ATOM 1253 CA ALA A 132 -9.990 65.339 29.599 1.00 8.40 C ATOM 1254 C ALA A 132 -9.531 64.844 28.256 1.00 8.75 C ATOM 1255 O ALA A 132 -8.557 65.384 27.702 1.00 8.88 O ATOM 1256 CB ALA A 132 -9.371 64.405 30.750 1.00 8.37 C ATOM 1257 H ALA A 132 -11.909 64.641 30.421 1.00 0.00 H ATOM 1258 N PHE A 133 -10.082 63.726 27.738 1.00 7.55 N ATOM 1259 CA PHE A 133 -9.649 63.262 26.418 1.00 7.17 C ATOM 1260 C PHE A 133 -10.003 64.301 25.291 1.00 7.09 C ATOM 1261 O PHE A 133 -9.111 64.545 24.417 1.00 8.66 O ATOM 1262 CB PHE A 133 -10.447 61.940 26.111 1.00 9.60 C ATOM 1263 CG PHE A 133 -10.238 61.552 24.685 1.00 9.00 C ATOM 1264 CD1 PHE A 133 -9.002 61.023 24.245 1.00 9.82 C ATOM 1265 CD2 PHE A 133 -11.351 61.715 23.819 1.00 10.08 C ATOM 1266 CE1 PHE A 133 -8.826 60.615 22.846 1.00 11.11 C ATOM 1267 CE2 PHE A 133 -11.193 61.387 22.494 1.00 13.84 C ATOM 1268 CZ PHE A 133 -9.957 60.853 22.020 1.00 11.26 C ATOM 1269 H PHE A 133 -10.805 63.201 28.270 1.00 0.00 H ATOM 1270 N ALA A 134 -11.189 64.925 25.379 1.00 8.17 N ATOM 1271 CA ALA A 134 -11.565 65.854 24.245 1.00 9.99 C ATOM 1272 C ALA A 134 -10.585 67.039 24.289 1.00 11.69 C ATOM 1273 O ALA A 134 -10.333 67.588 23.217 1.00 11.58 O ATOM 1274 CB ALA A 134 -12.978 66.325 24.510 1.00 10.98 C ATOM 1275 H ALA A 134 -11.821 64.776 26.191 1.00 0.00 H ATOM 1276 N ASN A 135 -10.061 67.401 25.444 1.00 9.24 N ATOM 1277 CA ASN A 135 -9.183 68.565 25.489 1.00 8.35 C ATOM 1278 C ASN A 135 -7.700 68.244 25.438 1.00 8.69 C ATOM 1279 O ASN A 135 -6.938 69.114 24.940 1.00 9.32 O ATOM 1280 CB ASN A 135 -9.490 69.367 26.719 1.00 8.15 C ATOM 1281 CG ASN A 135 -10.779 70.120 26.517 1.00 10.42 C ATOM 1282 OD1 ASN A 135 -10.755 71.170 25.769 1.00 12.78 O ATOM 1283 ND2 ASN A 135 -11.867 69.659 27.126 1.00 11.20 N ATOM 1284 HD22 ASN A 135 -11.810 68.804 27.715 1.00 0.00 H ATOM 1285 HD21 ASN A 135 -12.775 70.153 27.013 1.00 0.00 H ATOM 1286 H ASN A 135 -10.271 66.864 26.310 1.00 0.00 H ATOM 1287 N TRP A 136 -7.287 67.036 25.877 1.00 8.14 N ATOM 1288 CA TRP A 136 -5.858 66.648 25.998 1.00 9.16 C ATOM 1289 C TRP A 136 -5.792 65.208 25.542 1.00 7.15 C ATOM 1290 O TRP A 136 -5.428 64.294 26.292 1.00 8.51 O ATOM 1291 CB TRP A 136 -5.342 66.811 27.460 1.00 8.83 C ATOM 1292 CG TRP A 136 -5.556 68.276 27.886 1.00 7.76 C ATOM 1293 CD1 TRP A 136 -4.867 69.349 27.291 1.00 9.76 C ATOM 1294 CD2 TRP A 136 -6.555 68.823 28.724 1.00 5.97 C ATOM 1295 NE1 TRP A 136 -5.393 70.519 27.788 1.00 10.41 N ATOM 1296 CE2 TRP A 136 -6.460 70.253 28.614 1.00 7.19 C ATOM 1297 CE3 TRP A 136 -7.588 68.283 29.524 1.00 9.50 C ATOM 1298 CZ2 TRP A 136 -7.257 71.117 29.276 1.00 10.10 C ATOM 1299 CZ3 TRP A 136 -8.417 69.187 30.229 1.00 8.24 C ATOM 1300 CH2 TRP A 136 -8.257 70.618 30.104 1.00 9.61 C ATOM 1301 HE1 TRP A 136 -5.034 71.471 27.570 1.00 0.00 H ATOM 1302 H TRP A 136 -8.010 66.338 26.146 1.00 0.00 H ATOM 1303 N PRO A 137 -5.984 64.977 24.236 1.00 8.11 N ATOM 1304 CA PRO A 137 -6.061 63.606 23.724 1.00 8.72 C ATOM 1305 C PRO A 137 -4.719 62.872 23.648 1.00 9.43 C ATOM 1306 O PRO A 137 -4.758 61.679 23.321 1.00 9.74 O ATOM 1307 CB PRO A 137 -6.744 63.757 22.343 1.00 10.22 C ATOM 1308 CG PRO A 137 -6.245 65.147 21.909 1.00 9.86 C ATOM 1309 CD PRO A 137 -6.395 65.964 23.217 1.00 9.10 C ATOM 1310 N GLN A 138 -3.575 63.534 23.927 1.00 8.84 N ATOM 1311 CA GLN A 138 -2.304 62.844 24.049 1.00 8.84 C ATOM 1312 C GLN A 138 -1.970 62.483 25.495 1.00 9.36 C ATOM 1313 O GLN A 138 -0.993 61.688 25.679 1.00 11.43 O ATOM 1314 CB GLN A 138 -1.129 63.703 23.501 1.00 10.21 C ATOM 1315 CG GLN A 138 -1.348 64.002 22.010 1.00 15.29 C ATOM 1316 CD GLN A 138 -0.085 64.603 21.404 1.00 20.28 C ATOM 1317 OE1 GLN A 138 -0.053 65.783 21.051 1.00 19.74 O ATOM 1318 NE2 GLN A 138 0.963 63.819 21.359 1.00 17.08 N ATOM 1319 HE22 GLN A 138 0.886 62.829 21.668 1.00 0.00 H ATOM 1320 HE21 GLN A 138 1.873 64.186 21.014 1.00 0.00 H ATOM 1321 H GLN A 138 -3.606 64.565 24.058 1.00 0.00 H ATOM 1322 N THR A 139 -2.765 62.979 26.462 1.00 10.39 N ATOM 1323 CA THR A 139 -2.429 62.654 27.860 1.00 9.57 C ATOM 1324 C THR A 139 -3.683 62.741 28.694 1.00 9.31 C ATOM 1325 O THR A 139 -3.783 63.471 29.700 1.00 10.11 O ATOM 1326 CB THR A 139 -1.315 63.647 28.379 1.00 9.78 C ATOM 1327 OG1 THR A 139 -1.029 63.321 29.759 1.00 11.31 O ATOM 1328 CG2 THR A 139 -1.724 65.102 28.284 1.00 10.99 C ATOM 1329 HG1 THR A 139 -1.853 63.421 30.298 1.00 0.00 H ATOM 1330 H THR A 139 -3.588 63.571 26.230 1.00 0.00 H ATOM 1331 N PRO A 140 -4.719 61.940 28.363 1.00 7.99 N ATOM 1332 CA PRO A 140 -5.982 62.095 29.058 1.00 7.36 C ATOM 1333 C PRO A 140 -5.988 61.467 30.436 1.00 8.25 C ATOM 1334 O PRO A 140 -6.835 61.865 31.261 1.00 8.95 O ATOM 1335 CB PRO A 140 -7.004 61.367 28.162 1.00 8.82 C ATOM 1336 CG PRO A 140 -6.139 60.284 27.506 1.00 8.82 C ATOM 1337 CD PRO A 140 -4.801 61.019 27.188 1.00 8.52 C ATOM 1338 N MET A 141 -5.099 60.487 30.705 1.00 8.46 N ATOM 1339 CA MET A 141 -5.224 59.799 32.008 1.00 9.07 C ATOM 1340 C MET A 141 -4.714 60.630 33.221 1.00 8.59 C ATOM 1341 O MET A 141 -5.223 60.432 34.345 1.00 9.74 O ATOM 1342 CB MET A 141 -4.337 58.513 32.013 1.00 9.38 C ATOM 1343 CG MET A 141 -4.815 57.505 30.926 1.00 12.40 C ATOM 1344 SD MET A 141 -6.245 56.530 31.590 1.00 12.80 S ATOM 1345 CE MET A 141 -6.764 55.669 30.061 1.00 12.95 C ATOM 1346 H MET A 141 -4.357 60.227 30.024 1.00 0.00 H ATOM 1347 N ASP A 142 -3.714 61.492 32.963 1.00 8.62 N ATOM 1348 CA ASP A 142 -3.130 62.242 34.120 1.00 7.95 C ATOM 1349 C ASP A 142 -2.404 63.412 33.493 1.00 9.40 C ATOM 1350 O ASP A 142 -2.308 63.542 32.285 1.00 10.98 O ATOM 1351 CB ASP A 142 -2.147 61.277 34.831 1.00 10.61 C ATOM 1352 CG ASP A 142 -1.734 61.821 36.209 1.00 15.08 C ATOM 1353 OD1 ASP A 142 -2.404 62.706 36.769 1.00 16.70 O ATOM 1354 OD2 ASP A 142 -0.665 61.305 36.704 1.00 17.78 O ATOM 1355 H ASP A 142 -3.359 61.632 31.995 1.00 0.00 H ATOM 1356 N HIS A 143 -1.918 64.275 34.375 1.00 8.53 N ATOM 1357 CA HIS A 143 -1.149 65.472 33.917 1.00 8.55 C ATOM 1358 C HIS A 143 -1.972 66.296 32.950 1.00 10.33 C ATOM 1359 O HIS A 143 -1.474 66.742 31.894 1.00 11.12 O ATOM 1360 CB HIS A 143 0.180 65.046 33.236 1.00 10.47 C ATOM 1361 CG HIS A 143 1.218 64.713 34.243 1.00 13.60 C ATOM 1362 ND1 HIS A 143 1.492 63.481 34.756 1.00 20.75 N ATOM 1363 CD2 HIS A 143 2.080 65.599 34.814 1.00 15.75 C ATOM 1364 CE1 HIS A 143 2.508 63.598 35.620 1.00 11.32 C ATOM 1365 NE2 HIS A 143 2.863 64.878 35.665 1.00 22.59 N ATOM 1366 H HIS A 143 -2.073 64.118 35.391 1.00 0.00 H ATOM 1367 N ASN A 144 -3.200 66.579 33.351 1.00 8.46 N ATOM 1368 CA ASN A 144 -3.999 67.540 32.604 1.00 8.15 C ATOM 1369 C ASN A 144 -4.976 68.217 33.592 1.00 8.98 C ATOM 1370 O ASN A 144 -5.212 67.685 34.688 1.00 8.89 O ATOM 1371 CB ASN A 144 -4.748 66.879 31.383 1.00 7.96 C ATOM 1372 CG ASN A 144 -5.810 65.864 31.836 1.00 8.50 C ATOM 1373 OD1 ASN A 144 -5.632 64.600 31.539 1.00 12.42 O ATOM 1374 ND2 ASN A 144 -6.820 66.312 32.427 1.00 5.61 N ATOM 1375 HD22 ASN A 144 -6.895 67.329 32.631 1.00 0.00 H ATOM 1376 HD21 ASN A 144 -7.584 65.667 32.714 1.00 0.00 H ATOM 1377 H ASN A 144 -3.593 66.117 34.196 1.00 0.00 H ATOM 1378 N PRO A 145 -5.534 69.363 33.237 1.00 8.03 N ATOM 1379 CA PRO A 145 -6.277 70.101 34.234 1.00 8.39 C ATOM 1380 C PRO A 145 -7.563 69.446 34.786 1.00 9.86 C ATOM 1381 O PRO A 145 -8.024 69.856 35.892 1.00 11.55 O ATOM 1382 CB PRO A 145 -6.665 71.451 33.528 1.00 9.72 C ATOM 1383 CG PRO A 145 -5.486 71.601 32.576 1.00 10.31 C ATOM 1384 CD PRO A 145 -5.263 70.169 32.025 1.00 9.92 C ATOM 1385 N THR A 146 -8.069 68.475 34.060 1.00 8.47 N ATOM 1386 CA THR A 146 -9.270 67.736 34.575 1.00 7.05 C ATOM 1387 C THR A 146 -8.837 66.567 35.436 1.00 6.78 C ATOM 1388 O THR A 146 -9.274 66.485 36.585 1.00 9.61 O ATOM 1389 CB THR A 146 -10.130 67.298 33.354 1.00 8.79 C ATOM 1390 OG1 THR A 146 -10.710 68.517 32.819 1.00 8.80 O ATOM 1391 CG2 THR A 146 -11.273 66.398 33.879 1.00 9.07 C ATOM 1392 HG1 THR A 146 -11.272 68.297 32.034 1.00 0.00 H ATOM 1393 H THR A 146 -7.645 68.223 33.145 1.00 0.00 H ATOM 1394 N MET A 147 -8.046 65.675 34.918 1.00 7.35 N ATOM 1395 CA MET A 147 -7.701 64.536 35.701 1.00 7.83 C ATOM 1396 C MET A 147 -6.770 64.857 36.863 1.00 10.24 C ATOM 1397 O MET A 147 -6.715 64.072 37.838 1.00 9.92 O ATOM 1398 CB MET A 147 -7.103 63.450 34.834 1.00 9.63 C ATOM 1399 CG MET A 147 -8.131 62.831 33.847 1.00 10.29 C ATOM 1400 SD MET A 147 -9.565 62.011 34.706 1.00 12.38 S ATOM 1401 CE MET A 147 -8.770 60.553 35.282 1.00 13.95 C ATOM 1402 H MET A 147 -7.673 65.790 33.954 1.00 0.00 H ATOM 1403 N ASN A 148 -6.086 66.019 36.852 1.00 8.46 N ATOM 1404 CA ASN A 148 -5.339 66.370 38.043 1.00 8.73 C ATOM 1405 C ASN A 148 -6.202 66.644 39.276 1.00 10.50 C ATOM 1406 O ASN A 148 -5.685 66.641 40.412 1.00 12.32 O ATOM 1407 CB ASN A 148 -4.518 67.643 37.773 1.00 9.44 C ATOM 1408 CG ASN A 148 -3.257 67.398 36.937 1.00 10.28 C ATOM 1409 OD1 ASN A 148 -2.889 66.294 36.583 1.00 9.84 O ATOM 1410 ND2 ASN A 148 -2.672 68.559 36.474 1.00 15.02 N ATOM 1411 HD22 ASN A 148 -3.018 69.483 36.803 1.00 0.00 H ATOM 1412 HD21 ASN A 148 -1.885 68.510 35.796 1.00 0.00 H ATOM 1413 H ASN A 148 -6.094 66.641 36.019 1.00 0.00 H ATOM 1414 N LEU A 149 -7.520 66.786 39.061 1.00 9.41 N ATOM 1415 CA LEU A 149 -8.403 67.004 40.202 1.00 9.61 C ATOM 1416 C LEU A 149 -8.677 65.738 40.981 1.00 11.75 C ATOM 1417 O LEU A 149 -9.177 65.867 42.131 1.00 13.85 O ATOM 1418 CB LEU A 149 -9.781 67.473 39.649 1.00 10.33 C ATOM 1419 CG LEU A 149 -9.746 68.809 38.893 1.00 10.71 C ATOM 1420 CD1 LEU A 149 -11.130 69.057 38.227 1.00 10.50 C ATOM 1421 CD2 LEU A 149 -9.479 69.974 39.938 1.00 13.70 C ATOM 1422 H LEU A 149 -7.905 66.741 38.096 1.00 0.00 H ATOM 1423 N ILE A 150 -8.352 64.575 40.432 1.00 9.91 N ATOM 1424 CA ILE A 150 -8.679 63.338 41.161 1.00 10.28 C ATOM 1425 C ILE A 150 -7.453 62.479 41.209 1.00 11.80 C ATOM 1426 O ILE A 150 -6.464 62.730 40.506 1.00 14.10 O ATOM 1427 CB ILE A 150 -9.847 62.605 40.539 1.00 12.28 C ATOM 1428 CG1 ILE A 150 -9.544 62.187 39.104 1.00 12.61 C ATOM 1429 CG2 ILE A 150 -11.187 63.439 40.603 1.00 12.51 C ATOM 1430 CD1 ILE A 150 -10.787 61.364 38.483 1.00 13.67 C ATOM 1431 H ILE A 150 -7.877 64.538 39.508 1.00 0.00 H ATOM 1432 N THR A 151 -7.356 61.546 42.148 1.00 9.71 N ATOM 1433 CA THR A 151 -6.147 60.788 42.380 1.00 10.18 C ATOM 1434 C THR A 151 -6.427 59.284 42.394 1.00 8.52 C ATOM 1435 O THR A 151 -7.271 58.818 43.239 1.00 10.16 O ATOM 1436 CB THR A 151 -5.711 61.127 43.735 1.00 14.35 C ATOM 1437 OG1 THR A 151 -5.327 62.528 43.782 1.00 18.01 O ATOM 1438 CG2 THR A 151 -4.396 60.322 44.095 1.00 13.54 C ATOM 1439 HG1 THR A 151 -5.032 62.758 44.699 1.00 0.00 H ATOM 1440 H THR A 151 -8.186 61.352 42.743 1.00 0.00 H ATOM 1441 N GLY A 152 -5.797 58.556 41.476 1.00 9.29 N ATOM 1442 CA GLY A 152 -5.969 57.100 41.507 1.00 8.99 C ATOM 1443 C GLY A 152 -5.215 56.430 42.690 1.00 9.74 C ATOM 1444 O GLY A 152 -4.217 56.945 43.183 1.00 10.94 O ATOM 1445 H GLY A 152 -5.198 59.008 40.755 1.00 0.00 H ATOM 1446 N VAL A 153 -5.762 55.244 43.090 1.00 9.33 N ATOM 1447 CA VAL A 153 -4.997 54.430 44.112 1.00 10.96 C ATOM 1448 C VAL A 153 -4.938 52.988 43.617 1.00 11.41 C ATOM 1449 O VAL A 153 -5.804 52.602 42.822 1.00 13.16 O ATOM 1450 CB VAL A 153 -5.636 54.492 45.500 1.00 10.70 C ATOM 1451 CG1 VAL A 153 -5.758 55.994 45.958 1.00 12.07 C ATOM 1452 CG2 VAL A 153 -7.042 53.823 45.496 1.00 11.98 C ATOM 1453 H VAL A 153 -6.670 54.912 42.707 1.00 0.00 H ATOM 1454 N PRO A 154 -3.986 52.174 44.057 1.00 12.26 N ATOM 1455 CA PRO A 154 -4.033 50.744 43.639 1.00 13.79 C ATOM 1456 C PRO A 154 -5.370 50.084 44.026 1.00 14.47 C ATOM 1457 O PRO A 154 -5.883 50.257 45.127 1.00 15.47 O ATOM 1458 CB PRO A 154 -2.837 50.130 44.490 1.00 14.09 C ATOM 1459 CG PRO A 154 -1.936 51.307 44.776 1.00 12.84 C ATOM 1460 CD PRO A 154 -2.837 52.485 44.937 1.00 11.24 C ATOM 1461 N ASN A 155 -5.982 49.293 43.094 1.00 18.94 N ATOM 1462 CA ASN A 155 -7.256 48.682 43.404 1.00 21.13 C ATOM 1463 C ASN A 155 -7.165 47.672 44.549 1.00 21.10 C ATOM 1464 O ASN A 155 -8.132 47.508 45.366 1.00 24.22 O ATOM 1465 CB ASN A 155 -7.862 47.996 42.162 1.00 20.73 C ATOM 1466 CG ASN A 155 -9.092 47.203 42.530 1.00 20.94 C ATOM 1467 OD1 ASN A 155 -9.005 45.994 42.783 1.00 20.43 O ATOM 1468 ND2 ASN A 155 -10.233 47.896 42.703 1.00 21.54 N ATOM 1469 HD22 ASN A 155 -10.264 48.911 42.478 1.00 0.00 H ATOM 1470 HD21 ASN A 155 -11.083 47.416 43.061 1.00 0.00 H ATOM 1471 H ASN A 155 -5.535 49.132 42.169 1.00 0.00 H ATOM 1472 N SER A 156 -5.943 47.133 44.743 1.00 22.33 N ATOM 1473 CA SER A 156 -5.741 46.264 45.955 1.00 21.06 C ATOM 1474 C SER A 156 -5.936 46.927 47.262 1.00 22.72 C ATOM 1475 O SER A 156 -6.096 46.240 48.280 1.00 25.13 O ATOM 1476 CB SER A 156 -4.382 45.583 45.866 1.00 20.92 C ATOM 1477 OG SER A 156 -3.350 46.596 45.858 1.00 24.30 O ATOM 1478 HG SER A 156 -3.479 47.190 45.077 1.00 0.00 H ATOM 1479 H SER A 156 -5.165 47.312 44.076 1.00 0.00 H ATOM 1480 N MET A 157 -5.890 48.295 47.300 1.00 18.66 N ATOM 1481 CA MET A 157 -5.929 49.064 48.598 1.00 20.10 C ATOM 1482 C MET A 157 -7.300 49.726 48.861 1.00 20.00 C ATOM 1483 O MET A 157 -7.538 50.519 49.790 1.00 22.93 O ATOM 1484 CB MET A 157 -4.873 50.163 48.459 1.00 19.37 C ATOM 1485 CG MET A 157 -3.464 49.565 48.434 1.00 20.39 C ATOM 1486 SD MET A 157 -2.269 50.904 48.426 1.00 25.40 S ATOM 1487 CE MET A 157 -2.517 51.545 50.181 1.00 28.41 C ATOM 1488 H MET A 157 -5.826 48.821 46.405 1.00 0.00 H ATOM 1489 N LEU A 158 -8.254 49.446 48.065 1.00 21.04 N ATOM 1490 CA LEU A 158 -9.538 50.101 48.221 1.00 24.62 C ATOM 1491 C LEU A 158 -10.332 50.123 49.580 1.00 25.72 C ATOM 1492 O LEU A 158 -11.154 51.075 49.911 1.00 26.98 O ATOM 1493 CB LEU A 158 -10.400 49.495 47.123 1.00 23.95 C ATOM 1494 CG LEU A 158 -11.134 50.433 46.160 1.00 33.46 C ATOM 1495 CD1 LEU A 158 -10.317 51.697 45.689 1.00 24.90 C ATOM 1496 CD2 LEU A 158 -11.633 49.577 44.983 1.00 32.81 C ATOM 1497 H LEU A 158 -8.112 48.750 47.306 1.00 0.00 H ATOM 1498 N ASN A 159 -10.087 49.045 50.380 1.00 25.32 N ATOM 1499 CA ASN A 159 -10.822 48.837 51.645 1.00 26.69 C ATOM 1500 C ASN A 159 -9.888 49.197 52.786 1.00 27.28 C ATOM 1501 O ASN A 159 -10.206 48.958 53.932 1.00 32.08 O ATOM 1502 CB ASN A 159 -11.361 47.400 51.657 1.00 28.18 C ATOM 1503 CG ASN A 159 -12.458 47.239 50.584 1.00 30.93 C ATOM 1504 OD1 ASN A 159 -13.490 47.922 50.697 1.00 31.07 O ATOM 1505 ND2 ASN A 159 -12.215 46.435 49.508 1.00 36.55 N ATOM 1506 HD22 ASN A 159 -11.335 45.882 49.460 1.00 0.00 H ATOM 1507 HD21 ASN A 159 -12.910 46.375 48.736 1.00 0.00 H ATOM 1508 H ASN A 159 -9.366 48.353 50.093 1.00 0.00 H ATOM 1509 N SER A 160 -8.783 49.887 52.495 1.00 19.70 N ATOM 1510 CA SER A 160 -7.855 50.244 53.568 1.00 21.01 C ATOM 1511 C SER A 160 -8.046 51.703 54.059 1.00 22.45 C ATOM 1512 O SER A 160 -8.489 52.579 53.309 1.00 20.50 O ATOM 1513 CB SER A 160 -6.407 50.033 53.075 1.00 22.86 C ATOM 1514 OG SER A 160 -6.053 51.087 52.172 1.00 25.38 O ATOM 1515 HG SER A 160 -6.671 51.078 51.398 1.00 0.00 H ATOM 1516 H SER A 160 -8.584 50.168 51.514 1.00 0.00 H ATOM 1517 N PRO A 161 -7.822 51.971 55.323 1.00 19.82 N ATOM 1518 CA PRO A 161 -8.158 53.278 55.813 1.00 20.52 C ATOM 1519 C PRO A 161 -7.253 54.363 55.131 1.00 18.96 C ATOM 1520 O PRO A 161 -7.736 55.490 55.006 1.00 22.27 O ATOM 1521 CB PRO A 161 -7.774 53.260 57.358 1.00 20.71 C ATOM 1522 CG PRO A 161 -6.993 51.916 57.535 1.00 22.53 C ATOM 1523 CD PRO A 161 -7.484 50.991 56.394 1.00 19.66 C ATOM 1524 N GLN A 162 -6.046 54.008 54.685 1.00 18.94 N ATOM 1525 CA GLN A 162 -5.066 55.072 54.313 1.00 18.59 C ATOM 1526 C GLN A 162 -5.556 55.721 52.986 1.00 19.73 C ATOM 1527 O GLN A 162 -5.009 56.793 52.599 1.00 19.27 O ATOM 1528 CB GLN A 162 -3.623 54.547 54.152 1.00 16.20 C ATOM 1529 CG GLN A 162 -3.356 53.274 53.432 1.00 21.85 C ATOM 1530 CD GLN A 162 -3.532 52.023 54.265 1.00 19.35 C ATOM 1531 OE1 GLN A 162 -4.486 51.910 55.129 1.00 22.82 O ATOM 1532 NE2 GLN A 162 -2.724 51.026 53.966 1.00 19.57 N ATOM 1533 HE22 GLN A 162 -1.969 51.161 53.264 1.00 0.00 H ATOM 1534 HE21 GLN A 162 -2.841 50.104 54.432 1.00 0.00 H ATOM 1535 H GLN A 162 -5.791 53.003 54.598 1.00 0.00 H ATOM 1536 N VAL A 163 -6.491 55.086 52.336 1.00 16.78 N ATOM 1537 CA VAL A 163 -6.974 55.670 51.010 1.00 16.29 C ATOM 1538 C VAL A 163 -8.346 56.220 51.080 1.00 15.85 C ATOM 1539 O VAL A 163 -8.858 56.815 50.064 1.00 17.52 O ATOM 1540 CB VAL A 163 -7.019 54.658 49.799 1.00 15.51 C ATOM 1541 CG1 VAL A 163 -5.645 53.972 49.581 1.00 15.23 C ATOM 1542 CG2 VAL A 163 -8.050 53.512 49.858 1.00 16.55 C ATOM 1543 H VAL A 163 -6.897 54.205 52.711 1.00 0.00 H ATOM 1544 N GLN A 164 -9.002 56.139 52.209 1.00 17.97 N ATOM 1545 CA GLN A 164 -10.407 56.638 52.250 1.00 18.47 C ATOM 1546 C GLN A 164 -10.565 58.132 52.079 1.00 15.20 C ATOM 1547 O GLN A 164 -11.463 58.505 51.317 1.00 20.83 O ATOM 1548 CB GLN A 164 -11.083 56.194 53.576 1.00 20.13 C ATOM 1549 CG GLN A 164 -11.094 54.648 53.657 1.00 20.06 C ATOM 1550 CD GLN A 164 -11.790 53.933 52.461 1.00 18.18 C ATOM 1551 OE1 GLN A 164 -12.867 54.299 52.070 1.00 23.62 O ATOM 1552 NE2 GLN A 164 -11.123 52.979 51.881 1.00 20.94 N ATOM 1553 HE22 GLN A 164 -10.194 52.694 52.252 1.00 0.00 H ATOM 1554 HE21 GLN A 164 -11.518 52.501 51.046 1.00 0.00 H ATOM 1555 H GLN A 164 -8.555 55.736 53.057 1.00 0.00 H ATOM 1556 N PRO A 165 -9.667 58.993 52.636 1.00 19.06 N ATOM 1557 CA PRO A 165 -9.838 60.402 52.370 1.00 18.09 C ATOM 1558 C PRO A 165 -9.666 60.665 50.848 1.00 18.43 C ATOM 1559 O PRO A 165 -10.404 61.511 50.296 1.00 19.70 O ATOM 1560 CB PRO A 165 -8.654 61.075 53.125 1.00 19.35 C ATOM 1561 CG PRO A 165 -8.582 60.259 54.394 1.00 21.23 C ATOM 1562 CD PRO A 165 -8.765 58.774 53.803 1.00 21.01 C ATOM 1563 N THR A 166 -8.748 59.947 50.180 1.00 17.11 N ATOM 1564 CA THR A 166 -8.526 60.228 48.735 1.00 14.55 C ATOM 1565 C THR A 166 -9.806 59.830 47.935 1.00 14.21 C ATOM 1566 O THR A 166 -10.213 60.580 47.008 1.00 13.91 O ATOM 1567 CB THR A 166 -7.375 59.331 48.255 1.00 16.05 C ATOM 1568 OG1 THR A 166 -6.163 59.744 48.989 1.00 19.63 O ATOM 1569 CG2 THR A 166 -7.109 59.638 46.807 1.00 14.36 C ATOM 1570 HG1 THR A 166 -6.312 59.629 49.961 1.00 0.00 H ATOM 1571 H THR A 166 -8.201 59.207 50.664 1.00 0.00 H ATOM 1572 N LEU A 167 -10.393 58.674 48.158 1.00 13.14 N ATOM 1573 CA LEU A 167 -11.538 58.280 47.374 1.00 12.84 C ATOM 1574 C LEU A 167 -12.770 59.191 47.659 1.00 12.59 C ATOM 1575 O LEU A 167 -13.486 59.492 46.675 1.00 13.80 O ATOM 1576 CB LEU A 167 -11.869 56.795 47.724 1.00 15.63 C ATOM 1577 CG LEU A 167 -10.776 55.782 47.368 1.00 15.56 C ATOM 1578 CD1 LEU A 167 -11.246 54.407 48.117 1.00 18.43 C ATOM 1579 CD2 LEU A 167 -10.532 55.793 45.863 1.00 15.85 C ATOM 1580 H LEU A 167 -10.031 58.043 48.901 1.00 0.00 H ATOM 1581 N ARG A 168 -12.898 59.611 48.921 1.00 16.73 N ATOM 1582 CA ARG A 168 -13.990 60.578 49.197 1.00 16.20 C ATOM 1583 C ARG A 168 -13.795 61.849 48.480 1.00 13.47 C ATOM 1584 O ARG A 168 -14.770 62.389 47.889 1.00 15.16 O ATOM 1585 CB ARG A 168 -14.174 60.866 50.699 1.00 18.71 C ATOM 1586 CG ARG A 168 -14.886 59.622 51.286 1.00 30.20 C ATOM 1587 CD ARG A 168 -15.512 59.981 52.665 1.00 41.67 C ATOM 1588 NE ARG A 168 -16.737 59.216 53.011 1.00 47.81 N ATOM 1589 CZ ARG A 168 -18.008 59.490 52.614 1.00 45.13 C ATOM 1590 NH1 ARG A 168 -18.953 58.689 53.065 1.00 43.96 N ATOM 1591 NH2 ARG A 168 -18.361 60.496 51.744 1.00 44.80 N ATOM 1592 HE ARG A 168 -16.609 58.383 53.621 1.00 0.00 H ATOM 1593 HH12 ARG A 168 -19.944 58.850 52.794 1.00 0.00 H ATOM 1594 HH11 ARG A 168 -18.707 57.896 53.691 1.00 0.00 H ATOM 1595 HH22 ARG A 168 -19.360 60.638 51.492 1.00 0.00 H ATOM 1596 HH21 ARG A 168 -17.629 61.114 51.339 1.00 0.00 H ATOM 1597 H ARG A 168 -12.263 59.277 49.674 1.00 0.00 H ATOM 1598 N ARG A 169 -12.566 62.367 48.533 1.00 12.73 N ATOM 1599 CA ARG A 169 -12.279 63.626 47.876 1.00 12.27 C ATOM 1600 C ARG A 169 -12.475 63.469 46.345 1.00 12.13 C ATOM 1601 O ARG A 169 -12.973 64.424 45.734 1.00 11.85 O ATOM 1602 CB ARG A 169 -10.833 64.047 48.192 1.00 14.96 C ATOM 1603 CG ARG A 169 -10.513 65.390 47.532 1.00 21.21 C ATOM 1604 CD ARG A 169 -9.160 66.020 48.121 1.00 34.93 C ATOM 1605 NE ARG A 169 -8.727 67.096 47.182 1.00 42.79 N ATOM 1606 CZ ARG A 169 -9.145 68.385 47.181 1.00 51.65 C ATOM 1607 NH1 ARG A 169 -10.015 68.844 48.115 1.00 47.43 N ATOM 1608 NH2 ARG A 169 -8.662 69.245 46.235 1.00 49.03 N ATOM 1609 HE ARG A 169 -8.034 66.829 46.454 1.00 0.00 H ATOM 1610 HH12 ARG A 169 -10.323 69.837 48.096 1.00 0.00 H ATOM 1611 HH11 ARG A 169 -10.374 68.203 48.851 1.00 0.00 H ATOM 1612 HH22 ARG A 169 -8.976 70.236 46.225 1.00 0.00 H ATOM 1613 HH21 ARG A 169 -7.981 68.908 45.525 1.00 0.00 H ATOM 1614 H ARG A 169 -11.813 61.866 49.047 1.00 0.00 H ATOM 1615 N ASN A 170 -12.119 62.347 45.790 1.00 10.34 N ATOM 1616 CA ASN A 170 -12.300 62.198 44.325 1.00 8.98 C ATOM 1617 C ASN A 170 -13.770 62.360 43.931 1.00 10.45 C ATOM 1618 O ASN A 170 -14.081 63.064 42.934 1.00 11.36 O ATOM 1619 CB ASN A 170 -11.899 60.815 43.848 1.00 9.28 C ATOM 1620 CG ASN A 170 -10.408 60.558 43.821 1.00 10.03 C ATOM 1621 OD1 ASN A 170 -9.608 61.550 43.950 1.00 10.04 O ATOM 1622 ND2 ASN A 170 -10.022 59.292 43.665 1.00 9.72 N ATOM 1623 HD22 ASN A 170 -10.733 58.540 43.567 1.00 0.00 H ATOM 1624 HD21 ASN A 170 -9.009 59.056 43.642 1.00 0.00 H ATOM 1625 H ASN A 170 -11.718 61.574 46.359 1.00 0.00 H ATOM 1626 N GLN A 171 -14.674 61.749 44.710 1.00 10.34 N ATOM 1627 CA GLN A 171 -16.064 61.864 44.274 1.00 11.68 C ATOM 1628 C GLN A 171 -16.648 63.288 44.512 1.00 11.06 C ATOM 1629 O GLN A 171 -17.434 63.820 43.746 1.00 12.47 O ATOM 1630 CB GLN A 171 -16.837 60.796 45.051 1.00 12.79 C ATOM 1631 CG GLN A 171 -18.319 60.776 44.455 1.00 14.92 C ATOM 1632 CD GLN A 171 -19.020 59.434 44.587 1.00 13.11 C ATOM 1633 OE1 GLN A 171 -20.299 59.443 44.399 1.00 17.12 O ATOM 1634 NE2 GLN A 171 -18.355 58.388 44.685 1.00 12.30 N ATOM 1635 HE22 GLN A 171 -17.327 58.437 44.836 1.00 0.00 H ATOM 1636 HE21 GLN A 171 -18.827 57.464 44.616 1.00 0.00 H ATOM 1637 H GLN A 171 -14.404 61.227 45.568 1.00 0.00 H ATOM 1638 N GLU A 172 -16.186 63.946 45.612 1.00 9.32 N ATOM 1639 CA GLU A 172 -16.553 65.358 45.818 1.00 12.17 C ATOM 1640 C GLU A 172 -16.031 66.243 44.650 1.00 11.43 C ATOM 1641 O GLU A 172 -16.775 67.136 44.163 1.00 12.53 O ATOM 1642 CB GLU A 172 -15.960 65.886 47.137 1.00 14.03 C ATOM 1643 CG GLU A 172 -16.625 65.260 48.391 1.00 18.25 C ATOM 1644 CD GLU A 172 -15.697 65.497 49.633 1.00 30.26 C ATOM 1645 OE1 GLU A 172 -16.023 64.895 50.717 1.00 36.45 O ATOM 1646 OE2 GLU A 172 -14.629 66.223 49.602 1.00 25.80 O ATOM 1647 H GLU A 172 -15.580 63.456 46.300 1.00 0.00 H ATOM 1648 N GLN A 173 -14.774 65.980 44.232 1.00 10.79 N ATOM 1649 CA GLN A 173 -14.267 66.776 43.103 1.00 9.73 C ATOM 1650 C GLN A 173 -14.953 66.470 41.845 1.00 11.01 C ATOM 1651 O GLN A 173 -15.093 67.394 40.971 1.00 10.76 O ATOM 1652 CB GLN A 173 -12.749 66.505 42.851 1.00 11.17 C ATOM 1653 CG GLN A 173 -11.914 67.017 44.058 1.00 12.37 C ATOM 1654 CD GLN A 173 -12.052 68.485 44.182 1.00 18.95 C ATOM 1655 OE1 GLN A 173 -11.876 69.264 43.183 1.00 17.33 O ATOM 1656 NE2 GLN A 173 -12.399 68.934 45.392 1.00 23.99 N ATOM 1657 HE22 GLN A 173 -12.532 68.265 46.177 1.00 0.00 H ATOM 1658 HE21 GLN A 173 -12.536 69.953 45.549 1.00 0.00 H ATOM 1659 H GLN A 173 -14.191 65.249 44.687 1.00 0.00 H ATOM 1660 N LEU A 174 -15.376 65.239 41.616 1.00 10.35 N ATOM 1661 CA LEU A 174 -16.180 64.915 40.385 1.00 9.41 C ATOM 1662 C LEU A 174 -17.496 65.746 40.414 1.00 10.24 C ATOM 1663 O LEU A 174 -17.827 66.349 39.404 1.00 10.76 O ATOM 1664 CB LEU A 174 -16.465 63.401 40.501 1.00 9.63 C ATOM 1665 CG LEU A 174 -17.607 62.863 39.530 1.00 9.90 C ATOM 1666 CD1 LEU A 174 -17.116 62.994 38.046 1.00 10.34 C ATOM 1667 CD2 LEU A 174 -17.915 61.428 39.901 1.00 11.61 C ATOM 1668 H LEU A 174 -15.151 64.484 42.295 1.00 0.00 H ATOM 1669 N TYR A 175 -18.203 65.713 41.570 1.00 11.34 N ATOM 1670 CA TYR A 175 -19.411 66.527 41.536 1.00 10.65 C ATOM 1671 C TYR A 175 -19.202 68.004 41.395 1.00 9.97 C ATOM 1672 O TYR A 175 -19.969 68.612 40.624 1.00 12.43 O ATOM 1673 CB TYR A 175 -20.228 66.285 42.837 1.00 11.70 C ATOM 1674 CG TYR A 175 -20.810 64.880 43.065 1.00 11.62 C ATOM 1675 CD1 TYR A 175 -20.776 64.339 44.363 1.00 12.33 C ATOM 1676 CD2 TYR A 175 -21.476 64.160 42.033 1.00 11.41 C ATOM 1677 CE1 TYR A 175 -21.346 63.069 44.632 1.00 13.13 C ATOM 1678 CE2 TYR A 175 -22.088 62.916 42.235 1.00 13.17 C ATOM 1679 CZ TYR A 175 -22.002 62.402 43.574 1.00 14.09 C ATOM 1680 OH TYR A 175 -22.611 61.181 43.874 1.00 14.04 O ATOM 1681 HH TYR A 175 -22.217 60.469 43.310 1.00 0.00 H ATOM 1682 H TYR A 175 -17.911 65.160 42.401 1.00 0.00 H ATOM 1683 N SER A 176 -18.154 68.548 42.004 1.00 10.53 N ATOM 1684 CA SER A 176 -17.901 69.969 41.829 1.00 12.71 C ATOM 1685 C SER A 176 -17.546 70.296 40.385 1.00 11.50 C ATOM 1686 O SER A 176 -17.948 71.308 39.843 1.00 12.42 O ATOM 1687 CB SER A 176 -16.773 70.382 42.759 1.00 11.81 C ATOM 1688 OG SER A 176 -17.263 70.342 44.096 1.00 12.91 O ATOM 1689 HG SER A 176 -17.562 69.423 44.309 1.00 0.00 H ATOM 1690 H SER A 176 -17.526 67.968 42.596 1.00 0.00 H ATOM 1691 N PHE A 177 -16.766 69.385 39.747 1.00 10.52 N ATOM 1692 CA PHE A 177 -16.428 69.573 38.344 1.00 10.16 C ATOM 1693 C PHE A 177 -17.715 69.608 37.478 1.00 11.36 C ATOM 1694 O PHE A 177 -17.849 70.453 36.614 1.00 11.65 O ATOM 1695 CB PHE A 177 -15.454 68.394 37.934 1.00 10.90 C ATOM 1696 CG PHE A 177 -15.191 68.321 36.434 1.00 9.90 C ATOM 1697 CD1 PHE A 177 -14.166 69.105 35.855 1.00 10.45 C ATOM 1698 CD2 PHE A 177 -16.070 67.476 35.680 1.00 10.78 C ATOM 1699 CE1 PHE A 177 -14.025 69.041 34.439 1.00 13.05 C ATOM 1700 CE2 PHE A 177 -15.860 67.383 34.229 1.00 13.17 C ATOM 1701 CZ PHE A 177 -14.837 68.196 33.721 1.00 14.07 C ATOM 1702 H PHE A 177 -16.411 68.554 40.261 1.00 0.00 H ATOM 1703 N LEU A 178 -18.618 68.682 37.762 1.00 10.88 N ATOM 1704 CA LEU A 178 -19.866 68.607 36.918 1.00 11.87 C ATOM 1705 C LEU A 178 -20.721 69.849 37.282 1.00 12.64 C ATOM 1706 O LEU A 178 -21.398 70.375 36.350 1.00 14.30 O ATOM 1707 CB LEU A 178 -20.662 67.329 37.254 1.00 10.00 C ATOM 1708 CG LEU A 178 -19.874 66.167 36.699 1.00 12.38 C ATOM 1709 CD1 LEU A 178 -20.569 64.843 37.109 1.00 14.70 C ATOM 1710 CD2 LEU A 178 -19.636 66.150 35.140 1.00 14.18 C ATOM 1711 H LEU A 178 -18.470 68.020 38.551 1.00 0.00 H ATOM 1712 N GLU A 179 -20.731 70.323 38.528 1.00 12.70 N ATOM 1713 CA GLU A 179 -21.467 71.659 38.815 1.00 15.11 C ATOM 1714 C GLU A 179 -20.889 72.772 37.996 1.00 16.79 C ATOM 1715 O GLU A 179 -21.658 73.661 37.511 1.00 17.97 O ATOM 1716 CB GLU A 179 -21.376 72.036 40.246 1.00 16.09 C ATOM 1717 CG GLU A 179 -21.991 71.061 41.224 1.00 18.48 C ATOM 1718 CD GLU A 179 -23.586 71.214 41.409 1.00 24.70 C ATOM 1719 OE1 GLU A 179 -24.229 72.070 40.728 1.00 24.29 O ATOM 1720 OE2 GLU A 179 -24.101 70.514 42.313 1.00 24.00 O ATOM 1721 H GLU A 179 -20.254 69.807 39.294 1.00 0.00 H ATOM 1722 N ARG A 180 -19.589 72.836 37.782 1.00 14.71 N ATOM 1723 CA ARG A 180 -19.010 73.933 37.053 1.00 14.16 C ATOM 1724 C ARG A 180 -19.212 73.824 35.588 1.00 16.76 C ATOM 1725 O ARG A 180 -19.352 74.857 34.873 1.00 18.34 O ATOM 1726 CB ARG A 180 -17.484 73.978 37.341 1.00 15.17 C ATOM 1727 CG ARG A 180 -17.144 74.317 38.734 1.00 18.07 C ATOM 1728 CD ARG A 180 -15.629 74.674 38.995 1.00 20.22 C ATOM 1729 NE ARG A 180 -14.687 73.600 38.503 1.00 17.88 N ATOM 1730 CZ ARG A 180 -14.328 72.572 39.277 1.00 15.41 C ATOM 1731 NH1 ARG A 180 -14.907 72.333 40.435 1.00 17.80 N ATOM 1732 NH2 ARG A 180 -13.395 71.740 38.713 1.00 14.34 N ATOM 1733 HE ARG A 180 -14.308 73.663 37.536 1.00 0.00 H ATOM 1734 HH12 ARG A 180 -14.602 71.523 41.012 1.00 0.00 H ATOM 1735 HH11 ARG A 180 -15.670 72.954 40.773 1.00 0.00 H ATOM 1736 HH22 ARG A 180 -13.052 70.911 39.239 1.00 0.00 H ATOM 1737 HH21 ARG A 180 -13.030 71.938 37.759 1.00 0.00 H ATOM 1738 H ARG A 180 -18.973 72.081 38.146 1.00 0.00 H ATOM 1739 N HIS A 181 -19.236 72.592 35.065 1.00 13.72 N ATOM 1740 CA HIS A 181 -19.153 72.400 33.644 1.00 15.79 C ATOM 1741 C HIS A 181 -20.444 71.903 32.935 1.00 15.65 C ATOM 1742 O HIS A 181 -20.461 71.897 31.666 1.00 16.97 O ATOM 1743 CB HIS A 181 -18.058 71.398 33.325 1.00 16.82 C ATOM 1744 CG HIS A 181 -16.654 71.966 33.446 1.00 18.01 C ATOM 1745 ND1 HIS A 181 -15.863 71.928 34.578 1.00 17.18 N ATOM 1746 CD2 HIS A 181 -15.879 72.505 32.472 1.00 22.19 C ATOM 1747 CE1 HIS A 181 -14.684 72.543 34.318 1.00 17.26 C ATOM 1748 NE2 HIS A 181 -14.654 72.823 33.037 1.00 27.23 N ATOM 1749 H HIS A 181 -19.315 71.767 35.693 1.00 0.00 H ATOM 1750 N SER A 182 -21.460 71.492 33.720 1.00 13.87 N ATOM 1751 CA SER A 182 -22.633 70.841 33.092 1.00 13.49 C ATOM 1752 C SER A 182 -23.916 71.489 33.627 1.00 15.00 C ATOM 1753 O SER A 182 -24.360 71.226 34.736 1.00 15.97 O ATOM 1754 CB SER A 182 -22.612 69.358 33.456 1.00 15.15 C ATOM 1755 OG SER A 182 -23.810 68.701 32.953 1.00 15.20 O ATOM 1756 HG SER A 182 -23.847 68.793 31.968 1.00 0.00 H ATOM 1757 H SER A 182 -21.421 71.630 34.750 1.00 0.00 H ATOM 1758 N PRO A 183 -24.617 72.221 32.708 1.00 16.94 N ATOM 1759 CA PRO A 183 -25.897 72.715 33.156 1.00 19.46 C ATOM 1760 C PRO A 183 -26.914 71.609 33.379 1.00 18.71 C ATOM 1761 O PRO A 183 -27.831 71.742 34.232 1.00 19.72 O ATOM 1762 CB PRO A 183 -26.345 73.591 31.952 1.00 18.61 C ATOM 1763 CG PRO A 183 -25.372 73.578 30.993 1.00 24.47 C ATOM 1764 CD PRO A 183 -24.119 72.871 31.525 1.00 17.83 C ATOM 1765 N TYR A 184 -26.806 70.491 32.675 1.00 17.15 N ATOM 1766 CA TYR A 184 -27.659 69.350 32.989 1.00 16.62 C ATOM 1767 C TYR A 184 -27.453 68.826 34.424 1.00 18.00 C ATOM 1768 O TYR A 184 -28.405 68.579 35.185 1.00 17.19 O ATOM 1769 CB TYR A 184 -27.466 68.216 31.968 1.00 17.27 C ATOM 1770 CG TYR A 184 -28.348 67.042 32.176 1.00 16.27 C ATOM 1771 CD1 TYR A 184 -29.583 66.973 31.479 1.00 22.62 C ATOM 1772 CD2 TYR A 184 -28.062 66.072 33.100 1.00 19.11 C ATOM 1773 CE1 TYR A 184 -30.433 65.907 31.668 1.00 20.60 C ATOM 1774 CE2 TYR A 184 -28.904 64.966 33.296 1.00 22.38 C ATOM 1775 CZ TYR A 184 -30.097 64.905 32.546 1.00 24.22 C ATOM 1776 OH TYR A 184 -30.903 63.833 32.856 1.00 27.77 O ATOM 1777 HH TYR A 184 -31.161 63.881 33.811 1.00 0.00 H ATOM 1778 H TYR A 184 -26.115 70.427 31.901 1.00 0.00 H ATOM 1779 N PHE A 185 -26.163 68.606 34.809 1.00 16.21 N ATOM 1780 CA PHE A 185 -25.957 68.189 36.141 1.00 15.54 C ATOM 1781 C PHE A 185 -26.472 69.218 37.135 1.00 17.46 C ATOM 1782 O PHE A 185 -27.060 68.825 38.180 1.00 17.39 O ATOM 1783 CB PHE A 185 -24.408 68.021 36.345 1.00 13.18 C ATOM 1784 CG PHE A 185 -24.106 67.511 37.751 1.00 13.79 C ATOM 1785 CD1 PHE A 185 -24.124 66.160 38.011 1.00 13.66 C ATOM 1786 CD2 PHE A 185 -23.854 68.419 38.795 1.00 14.66 C ATOM 1787 CE1 PHE A 185 -23.822 65.619 39.305 1.00 16.28 C ATOM 1788 CE2 PHE A 185 -23.596 67.944 40.089 1.00 14.76 C ATOM 1789 CZ PHE A 185 -23.623 66.557 40.360 1.00 15.95 C ATOM 1790 H PHE A 185 -25.368 68.739 34.151 1.00 0.00 H ATOM 1791 N ARG A 186 -26.199 70.511 36.870 1.00 17.47 N ATOM 1792 CA ARG A 186 -26.691 71.559 37.813 1.00 19.47 C ATOM 1793 C ARG A 186 -28.176 71.452 38.039 1.00 21.34 C ATOM 1794 O ARG A 186 -28.631 71.481 39.211 1.00 22.57 O ATOM 1795 CB ARG A 186 -26.397 72.948 37.364 1.00 21.04 C ATOM 1796 CG ARG A 186 -24.904 73.202 37.482 1.00 20.91 C ATOM 1797 CD ARG A 186 -24.574 74.704 37.438 1.00 22.31 C ATOM 1798 NE ARG A 186 -24.855 75.321 36.147 1.00 25.20 N ATOM 1799 CZ ARG A 186 -24.006 75.362 35.106 1.00 27.42 C ATOM 1800 NH1 ARG A 186 -22.801 74.744 35.132 1.00 22.66 N ATOM 1801 NH2 ARG A 186 -24.356 75.982 33.963 1.00 29.14 N ATOM 1802 HE ARG A 186 -25.787 75.765 36.022 1.00 0.00 H ATOM 1803 HH12 ARG A 186 -22.171 74.798 34.306 1.00 0.00 H ATOM 1804 HH11 ARG A 186 -22.506 74.215 35.978 1.00 0.00 H ATOM 1805 HH22 ARG A 186 -23.693 76.009 33.162 1.00 0.00 H ATOM 1806 HH21 ARG A 186 -25.289 76.434 33.881 1.00 0.00 H ATOM 1807 H ARG A 186 -25.655 70.774 36.023 1.00 0.00 H ATOM 1808 N SER A 187 -28.911 71.225 36.954 1.00 20.89 N ATOM 1809 CA SER A 187 -30.413 71.227 37.071 1.00 22.45 C ATOM 1810 C SER A 187 -30.892 69.941 37.696 1.00 23.57 C ATOM 1811 O SER A 187 -32.022 69.917 38.242 1.00 24.63 O ATOM 1812 CB SER A 187 -31.062 71.581 35.715 1.00 24.67 C ATOM 1813 OG SER A 187 -30.869 70.512 34.892 1.00 29.33 O ATOM 1814 HG SER A 187 -31.296 69.711 35.287 1.00 0.00 H ATOM 1815 H SER A 187 -28.455 71.048 36.036 1.00 0.00 H ATOM 1816 N HIS A 188 -30.062 68.880 37.746 1.00 19.88 N ATOM 1817 CA HIS A 188 -30.438 67.631 38.308 1.00 18.14 C ATOM 1818 C HIS A 188 -29.534 67.225 39.497 1.00 17.41 C ATOM 1819 O HIS A 188 -29.515 66.038 39.821 1.00 19.49 O ATOM 1820 CB HIS A 188 -30.452 66.476 37.254 1.00 21.36 C ATOM 1821 CG HIS A 188 -31.371 66.713 36.100 1.00 23.09 C ATOM 1822 ND1 HIS A 188 -31.085 67.589 35.089 1.00 25.67 N ATOM 1823 CD2 HIS A 188 -32.624 66.238 35.861 1.00 33.48 C ATOM 1824 CE1 HIS A 188 -32.108 67.626 34.233 1.00 32.21 C ATOM 1825 NE2 HIS A 188 -33.045 66.806 34.677 1.00 30.64 N ATOM 1826 H HIS A 188 -29.103 68.981 37.356 1.00 0.00 H ATOM 1827 N SER A 189 -28.881 68.210 40.117 1.00 16.57 N ATOM 1828 CA SER A 189 -27.772 67.950 41.057 1.00 18.17 C ATOM 1829 C SER A 189 -28.178 67.060 42.211 1.00 19.49 C ATOM 1830 O SER A 189 -27.590 66.008 42.461 1.00 19.01 O ATOM 1831 CB SER A 189 -27.262 69.277 41.563 1.00 18.97 C ATOM 1832 OG SER A 189 -26.221 69.062 42.533 1.00 21.86 O ATOM 1833 HG SER A 189 -25.891 69.936 42.861 1.00 0.00 H ATOM 1834 H SER A 189 -29.163 69.194 39.932 1.00 0.00 H ATOM 1835 N ALA A 190 -29.314 67.381 42.902 1.00 20.00 N ATOM 1836 CA ALA A 190 -29.667 66.503 44.012 1.00 20.38 C ATOM 1837 C ALA A 190 -30.024 65.116 43.661 1.00 18.17 C ATOM 1838 O ALA A 190 -29.622 64.193 44.374 1.00 20.72 O ATOM 1839 CB ALA A 190 -30.822 67.160 44.905 1.00 23.22 C ATOM 1840 H ALA A 190 -29.894 68.206 42.650 1.00 0.00 H ATOM 1841 N GLN A 191 -30.768 64.928 42.579 1.00 19.04 N ATOM 1842 CA GLN A 191 -31.222 63.644 42.182 1.00 20.59 C ATOM 1843 C GLN A 191 -30.002 62.788 41.788 1.00 19.62 C ATOM 1844 O GLN A 191 -29.891 61.642 42.180 1.00 18.88 O ATOM 1845 CB GLN A 191 -32.131 63.803 40.958 1.00 23.51 C ATOM 1846 CG GLN A 191 -32.695 62.550 40.440 1.00 33.16 C ATOM 1847 CD GLN A 191 -33.901 62.780 39.450 1.00 44.63 C ATOM 1848 OE1 GLN A 191 -33.912 63.696 38.596 1.00 46.54 O ATOM 1849 NE2 GLN A 191 -34.916 61.936 39.594 1.00 47.02 N ATOM 1850 HE22 GLN A 191 -34.871 61.187 40.314 1.00 0.00 H ATOM 1851 HE21 GLN A 191 -35.755 62.024 38.986 1.00 0.00 H ATOM 1852 H GLN A 191 -31.028 65.752 42.000 1.00 0.00 H ATOM 1853 N ILE A 192 -29.116 63.390 40.985 1.00 17.63 N ATOM 1854 CA ILE A 192 -27.966 62.573 40.531 1.00 16.21 C ATOM 1855 C ILE A 192 -27.019 62.270 41.728 1.00 13.93 C ATOM 1856 O ILE A 192 -26.534 61.137 41.839 1.00 15.19 O ATOM 1857 CB ILE A 192 -27.179 63.413 39.451 1.00 14.33 C ATOM 1858 CG1 ILE A 192 -27.986 63.516 38.164 1.00 16.84 C ATOM 1859 CG2 ILE A 192 -25.827 62.633 39.174 1.00 14.90 C ATOM 1860 CD1 ILE A 192 -27.390 64.483 37.131 1.00 18.43 C ATOM 1861 H ILE A 192 -29.229 64.382 40.694 1.00 0.00 H ATOM 1862 N ARG A 193 -26.776 63.218 42.612 1.00 15.25 N ATOM 1863 CA ARG A 193 -25.972 62.954 43.823 1.00 15.22 C ATOM 1864 C ARG A 193 -26.511 61.816 44.651 1.00 16.28 C ATOM 1865 O ARG A 193 -25.802 60.935 45.065 1.00 16.87 O ATOM 1866 CB ARG A 193 -25.833 64.199 44.643 1.00 16.84 C ATOM 1867 CG ARG A 193 -24.910 65.288 44.020 1.00 17.60 C ATOM 1868 CD ARG A 193 -25.114 66.550 44.818 1.00 16.07 C ATOM 1869 NE ARG A 193 -24.247 67.599 44.205 1.00 17.86 N ATOM 1870 CZ ARG A 193 -23.031 67.937 44.600 1.00 17.11 C ATOM 1871 NH1 ARG A 193 -22.368 67.277 45.512 1.00 17.31 N ATOM 1872 NH2 ARG A 193 -22.485 68.985 44.040 1.00 19.98 N ATOM 1873 HE ARG A 193 -24.636 68.113 43.389 1.00 0.00 H ATOM 1874 HH12 ARG A 193 -21.413 67.586 45.786 1.00 0.00 H ATOM 1875 HH11 ARG A 193 -22.795 66.443 45.964 1.00 0.00 H ATOM 1876 HH22 ARG A 193 -21.530 69.286 44.321 1.00 0.00 H ATOM 1877 HH21 ARG A 193 -23.006 69.517 43.314 1.00 0.00 H ATOM 1878 H ARG A 193 -27.159 64.172 42.453 1.00 0.00 H ATOM 1879 N SER A 194 -27.853 61.789 44.834 1.00 17.02 N ATOM 1880 CA SER A 194 -28.443 60.684 45.599 1.00 19.20 C ATOM 1881 C SER A 194 -28.329 59.332 44.885 1.00 19.18 C ATOM 1882 O SER A 194 -27.953 58.318 45.539 1.00 23.81 O ATOM 1883 CB SER A 194 -29.875 61.037 45.992 1.00 20.30 C ATOM 1884 OG SER A 194 -30.476 59.897 46.548 1.00 23.78 O ATOM 1885 HG SER A 194 -29.965 59.613 47.347 1.00 0.00 H ATOM 1886 H SER A 194 -28.455 62.539 44.439 1.00 0.00 H ATOM 1887 N ALA A 195 -28.482 59.267 43.548 1.00 15.66 N ATOM 1888 CA ALA A 195 -28.434 58.032 42.789 1.00 14.34 C ATOM 1889 C ALA A 195 -27.024 57.440 42.582 1.00 14.51 C ATOM 1890 O ALA A 195 -26.842 56.327 42.233 1.00 14.85 O ATOM 1891 CB ALA A 195 -29.047 58.262 41.388 1.00 16.79 C ATOM 1892 H ALA A 195 -28.644 60.154 43.030 1.00 0.00 H ATOM 1893 N THR A 196 -26.005 58.312 42.869 1.00 14.92 N ATOM 1894 CA THR A 196 -24.647 57.901 42.531 1.00 14.16 C ATOM 1895 C THR A 196 -23.691 57.958 43.732 1.00 14.85 C ATOM 1896 O THR A 196 -22.436 57.905 43.556 1.00 13.93 O ATOM 1897 CB THR A 196 -24.010 58.805 41.375 1.00 12.65 C ATOM 1898 OG1 THR A 196 -24.037 60.168 41.797 1.00 14.04 O ATOM 1899 CG2 THR A 196 -24.835 58.726 40.098 1.00 15.18 C ATOM 1900 HG1 THR A 196 -23.645 60.739 41.090 1.00 0.00 H ATOM 1901 H THR A 196 -26.194 59.234 43.312 1.00 0.00 H ATOM 1902 N SER A 197 -24.244 58.080 44.942 1.00 13.71 N ATOM 1903 CA SER A 197 -23.471 58.445 46.098 1.00 13.53 C ATOM 1904 C SER A 197 -22.367 57.444 46.480 1.00 12.50 C ATOM 1905 O SER A 197 -22.259 56.317 46.049 1.00 13.37 O ATOM 1906 CB SER A 197 -24.450 58.757 47.286 1.00 16.43 C ATOM 1907 OG SER A 197 -24.758 57.436 47.718 1.00 21.21 O ATOM 1908 HG SER A 197 -25.384 57.478 48.484 1.00 0.00 H ATOM 1909 H SER A 197 -25.264 57.906 45.051 1.00 0.00 H ATOM 1910 N PHE A 198 -21.397 57.980 47.246 1.00 13.69 N ATOM 1911 CA PHE A 198 -20.235 57.236 47.605 1.00 12.90 C ATOM 1912 C PHE A 198 -20.415 55.886 48.253 1.00 13.08 C ATOM 1913 O PHE A 198 -19.726 54.914 48.040 1.00 13.84 O ATOM 1914 CB PHE A 198 -19.358 58.145 48.471 1.00 13.83 C ATOM 1915 CG PHE A 198 -18.015 57.559 48.786 1.00 15.23 C ATOM 1916 CD1 PHE A 198 -17.733 56.916 50.003 1.00 17.02 C ATOM 1917 CD2 PHE A 198 -16.974 57.631 47.829 1.00 13.17 C ATOM 1918 CE1 PHE A 198 -16.508 56.387 50.380 1.00 18.37 C ATOM 1919 CE2 PHE A 198 -15.717 57.115 48.192 1.00 13.54 C ATOM 1920 CZ PHE A 198 -15.408 56.478 49.410 1.00 14.81 C ATOM 1921 H PHE A 198 -21.498 58.959 47.583 1.00 0.00 H ATOM 1922 N CYS A 199 -21.522 55.870 49.079 1.00 14.26 N ATOM 1923 CA CYS A 199 -21.879 54.592 49.739 1.00 15.20 C ATOM 1924 C CYS A 199 -23.225 54.110 49.235 1.00 16.96 C ATOM 1925 O CYS A 199 -23.903 53.332 49.961 1.00 16.85 O ATOM 1926 CB CYS A 199 -22.060 54.855 51.280 1.00 16.39 C ATOM 1927 SG CYS A 199 -20.296 55.095 51.955 1.00 26.81 S ATOM 1928 H CYS A 199 -22.088 56.729 49.233 1.00 0.00 H ATOM 1929 N HIS A 200 -23.575 54.392 48.010 1.00 15.02 N ATOM 1930 CA HIS A 200 -24.905 54.007 47.464 1.00 15.24 C ATOM 1931 C HIS A 200 -25.107 52.499 47.478 1.00 17.03 C ATOM 1932 O HIS A 200 -26.333 52.069 47.628 1.00 16.42 O ATOM 1933 CB HIS A 200 -24.980 54.513 45.992 1.00 16.26 C ATOM 1934 CG HIS A 200 -26.366 54.536 45.465 1.00 18.19 C ATOM 1935 ND1 HIS A 200 -26.823 53.605 44.553 1.00 26.83 N ATOM 1936 CD2 HIS A 200 -27.372 55.336 45.766 1.00 17.75 C ATOM 1937 CE1 HIS A 200 -28.104 53.851 44.301 1.00 19.04 C ATOM 1938 NE2 HIS A 200 -28.457 54.923 44.986 1.00 21.41 N ATOM 1939 H HIS A 200 -22.905 54.900 47.398 1.00 0.00 H ATOM 1940 N LEU A 201 -24.066 51.689 47.402 1.00 15.58 N ATOM 1941 CA LEU A 201 -24.128 50.277 47.288 1.00 16.43 C ATOM 1942 C LEU A 201 -23.691 49.529 48.536 1.00 14.96 C ATOM 1943 O LEU A 201 -23.488 48.302 48.497 1.00 18.88 O ATOM 1944 CB LEU A 201 -23.361 49.785 46.058 1.00 18.28 C ATOM 1945 CG LEU A 201 -23.719 50.492 44.790 1.00 18.72 C ATOM 1946 CD1 LEU A 201 -22.650 50.016 43.708 1.00 27.16 C ATOM 1947 CD2 LEU A 201 -25.132 50.088 44.278 1.00 23.21 C ATOM 1948 H LEU A 201 -23.122 52.124 47.428 1.00 0.00 H ATOM 1949 N LYS A 202 -23.545 50.237 49.646 1.00 16.44 N ATOM 1950 CA LYS A 202 -22.980 49.661 50.831 1.00 16.70 C ATOM 1951 C LYS A 202 -23.880 48.492 51.373 1.00 16.66 C ATOM 1952 O LYS A 202 -25.129 48.661 51.366 1.00 16.28 O ATOM 1953 CB LYS A 202 -22.819 50.741 51.878 1.00 18.56 C ATOM 1954 CG LYS A 202 -21.955 50.284 53.080 1.00 25.20 C ATOM 1955 CD LYS A 202 -21.771 51.511 54.055 1.00 33.97 C ATOM 1956 CE LYS A 202 -21.425 51.107 55.568 1.00 43.15 C ATOM 1957 NZ LYS A 202 -22.649 51.341 56.501 1.00 46.86 N ATOM 1958 HZ1 LYS A 202 -22.915 52.346 56.476 1.00 0.00 H ATOM 1959 HZ2 LYS A 202 -23.448 50.761 56.174 1.00 0.00 H ATOM 1960 HZ3 LYS A 202 -22.398 51.072 57.474 1.00 0.00 H ATOM 1961 H LYS A 202 -23.847 51.232 49.658 1.00 0.00 H ATOM 1962 N ASN A 203 -23.235 47.386 51.710 1.00 16.36 N ATOM 1963 CA ASN A 203 -23.998 46.260 52.403 1.00 17.58 C ATOM 1964 C ASN A 203 -24.683 46.745 53.643 1.00 17.59 C ATOM 1965 O ASN A 203 -24.257 47.563 54.422 1.00 18.62 O ATOM 1966 CB ASN A 203 -23.093 45.126 52.778 1.00 20.71 C ATOM 1967 CG ASN A 203 -22.474 44.453 51.599 1.00 29.36 C ATOM 1968 OD1 ASN A 203 -21.454 43.783 51.762 1.00 39.92 O ATOM 1969 ND2 ASN A 203 -23.042 44.622 50.417 1.00 27.49 N ATOM 1970 HD22 ASN A 203 -23.904 45.198 50.332 1.00 0.00 H ATOM 1971 HD21 ASN A 203 -22.627 44.179 49.573 1.00 0.00 H ATOM 1972 H ASN A 203 -22.220 47.286 51.505 1.00 0.00 H ATOM 1973 N MET A 204 -25.893 46.165 53.918 1.00 16.93 N ATOM 1974 CA MET A 204 -26.593 46.393 55.171 1.00 20.01 C ATOM 1975 C MET A 204 -26.628 45.037 55.896 1.00 23.65 C ATOM 1976 O MET A 204 -26.315 43.939 55.472 1.00 23.12 O ATOM 1977 CB MET A 204 -28.085 46.818 54.930 1.00 21.33 C ATOM 1978 CG MET A 204 -28.121 48.233 54.255 1.00 19.44 C ATOM 1979 SD MET A 204 -29.830 48.664 53.837 1.00 21.56 S ATOM 1980 CE MET A 204 -30.229 47.528 52.587 1.00 18.82 C ATOM 1981 OXT MET A 204 -26.927 45.127 57.110 1.00 31.32 O ATOM 1982 H MET A 204 -26.325 45.541 53.207 1.00 0.00 H TER 1983 MET A 204 HETATM 1984 O HOH 1 -16.828 73.817 42.140 1.00 24.48 O HETATM 1985 O HOH 2 -31.193 47.523 29.352 1.00 42.09 O HETATM 1986 O HOH 3 -0.682 51.735 38.600 1.00 26.59 O HETATM 1987 O HOH 4 -2.019 59.797 22.238 1.00 20.87 O HETATM 1988 O HOH 5 -28.902 45.449 58.793 1.00 32.41 O HETATM 1989 O HOH 6 -11.698 73.208 24.404 1.00 27.88 O HETATM 1990 O HOH 7 -6.131 59.070 51.544 1.00 20.40 O HETATM 1991 O HOH 8 -28.981 52.171 47.232 1.00 25.24 O HETATM 1992 O HOH 9 -0.926 58.910 26.505 1.00 25.66 O HETATM 1993 O HOH 10 -3.567 48.578 5.183 1.00 26.08 O HETATM 1994 O HOH 11 0.475 53.395 18.572 1.00 28.10 O HETATM 1995 O HOH 12 -6.063 48.276 8.294 1.00 23.47 O HETATM 1996 O HOH 13 -3.975 61.269 48.464 1.00 26.63 O HETATM 1997 O HOH 14 -4.756 70.039 23.597 1.00 11.26 O HETATM 1998 O HOH 15 -3.247 58.412 53.910 1.00 18.51 O HETATM 1999 O HOH 16 -2.838 63.273 44.697 1.00 29.13 O HETATM 2000 O HOH 17 0.615 57.973 29.670 1.00 24.41 O HETATM 2001 O HOH 18 -6.515 70.497 38.122 1.00 24.71 O HETATM 2002 O HOH 19 -1.338 60.798 30.868 1.00 25.70 O HETATM 2003 O HOH 20 0.068 51.827 14.653 1.00 35.78 O HETATM 2004 O HOH 21 -10.428 71.586 43.673 1.00 26.30 O HETATM 2005 O HOH 22 -13.566 69.811 41.041 1.00 12.44 O HETATM 2006 O HOH 23 -25.268 46.439 47.380 1.00 32.70 O HETATM 2007 O HOH 24 0.841 67.176 30.355 1.00 25.67 O HETATM 2008 O HOH 25 -0.917 62.830 12.186 1.00 35.97 O HETATM 2009 O HOH 26 -11.703 69.608 21.812 1.00 20.08 O HETATM 2010 O HOH 27 -11.296 63.615 51.960 1.00 36.54 O HETATM 2011 O HOH 28 -4.402 59.578 5.570 1.00 36.17 O HETATM 2012 O HOH 29 -14.304 72.995 29.141 1.00 20.44 O HETATM 2013 O HOH 30 -10.280 64.656 14.989 1.00 22.34 O HETATM 2014 O HOH 31 -24.804 50.631 34.239 1.00 23.40 O HETATM 2015 O HOH 32 -29.933 60.706 49.285 1.00 41.26 O HETATM 2016 O HOH 33 -2.998 66.285 24.681 1.00 13.52 O HETATM 2017 O HOH 34 -2.134 68.586 29.736 1.00 26.23 O HETATM 2018 O HOH 35 -31.659 56.554 29.423 1.00 30.32 O HETATM 2019 O HOH 36 -13.976 74.951 35.998 1.00 31.29 O HETATM 2020 O HOH 37 -2.689 59.393 29.161 1.00 12.66 O HETATM 2021 O HOH 38 -6.824 63.579 12.503 1.00 33.80 O HETATM 2022 O HOH 39 -22.837 58.121 50.607 1.00 25.00 O HETATM 2023 O HOH 40 -4.963 56.163 7.314 1.00 28.29 O HETATM 2024 O HOH 41 -5.579 63.782 17.138 1.00 22.99 O HETATM 2025 O HOH 42 -0.739 69.160 34.094 1.00 22.53 O HETATM 2026 O HOH 43 -4.874 67.302 15.860 1.00 18.82 O HETATM 2027 O HOH 44 -7.787 70.529 43.068 1.00 34.96 O HETATM 2028 O HOH 45 -7.233 64.734 15.176 1.00 30.08 O HETATM 2029 O HOH 46 -6.335 63.244 47.993 1.00 26.05 O HETATM 2030 O HOH 47 -25.720 61.750 48.716 1.00 31.46 O HETATM 2031 O HOH 48 -1.702 62.768 42.846 1.00 32.81 O HETATM 2032 O HOH 49 -0.482 71.491 35.587 1.00 23.01 O HETATM 2033 O HOH 50 1.663 61.573 17.386 1.00 25.54 O HETATM 2034 O HOH 51 -9.392 54.270 36.605 1.00 12.09 O HETATM 2035 O HOH 52 -21.501 60.858 47.823 1.00 16.23 O HETATM 2036 O HOH 53 -17.305 53.641 48.401 1.00 16.60 O HETATM 2037 O HOH 54 -15.969 57.273 44.446 1.00 20.53 O HETATM 2038 O HOH 55 -23.835 62.036 46.848 1.00 18.44 O HETATM 2039 O HOH 56 -21.287 43.092 33.591 1.00 17.91 O HETATM 2040 O HOH 57 -14.492 70.599 26.200 1.00 17.72 O HETATM 2041 O HOH 58 -11.198 41.341 30.165 1.00 21.62 O HETATM 2042 O HOH 59 -19.349 62.408 47.355 1.00 20.56 O HETATM 2043 O HOH 60 -22.659 56.880 37.541 1.00 16.43 O HETATM 2044 O HOH 61 -11.995 58.934 10.186 1.00 24.54 O HETATM 2045 O HOH 62 -23.071 64.858 47.145 1.00 20.55 O HETATM 2046 O HOH 63 -9.042 50.792 33.039 1.00 15.32 O HETATM 2047 O HOH 64 -10.120 48.277 33.913 1.00 16.26 O HETATM 2048 O HOH 65 -20.503 68.857 22.942 1.00 18.80 O HETATM 2049 O HOH 66 -17.533 44.563 21.967 1.00 21.94 O HETATM 2050 O HOH 67 -15.027 43.310 22.382 1.00 20.02 O HETATM 2051 O HOH 68 -13.625 40.044 23.160 1.00 36.16 O HETATM 2052 O HOH 69 -15.630 60.656 16.138 1.00 26.19 O HETATM 2053 O HOH 70 -26.747 72.783 41.302 1.00 25.87 O HETATM 2054 O HOH 71 -20.326 64.921 47.837 1.00 24.56 O HETATM 2055 O HOH 72 -25.414 49.313 22.263 1.00 24.49 O HETATM 2056 O HOH 73 -20.865 41.038 30.574 1.00 22.46 O HETATM 2057 O HOH 74 -4.554 43.377 32.654 1.00 33.65 O HETATM 2058 O HOH 75 -16.036 55.010 15.089 1.00 25.67 O HETATM 2059 O HOH 76 -7.126 44.389 39.301 1.00 25.75 O HETATM 2060 O HOH 77 -25.843 51.858 21.433 1.00 27.30 O HETATM 2061 O HOH 78 -14.074 69.957 23.324 1.00 31.00 O HETATM 2062 O HOH 79 -27.412 69.230 45.135 1.00 30.97 O HETATM 2063 O HOH 80 -24.456 63.309 23.678 1.00 22.05 O HETATM 2064 O HOH 81 -22.332 57.224 16.538 1.00 31.35 O HETATM 2065 O HOH 82 -5.170 47.087 38.542 1.00 28.46 O HETATM 2066 O HOH 83 -28.107 59.498 38.457 1.00 26.00 O HETATM 2067 O HOH 84 -31.085 69.603 42.472 1.00 27.61 O HETATM 2068 O HOH 85 -24.652 40.805 29.874 1.00 27.20 O HETATM 2069 O HOH 86 -21.426 75.480 32.671 1.00 30.70 O HETATM 2070 O HOH 87 -29.813 62.801 26.869 1.00 23.44 O HETATM 2071 O HOH 88 -17.536 40.686 26.935 1.00 28.47 O HETATM 2072 O HOH 89 -25.985 56.216 22.058 1.00 27.08 O HETATM 2073 O HOH 90 -24.773 60.785 22.217 1.00 25.87 O HETATM 2074 O HOH 91 -8.125 46.895 50.456 1.00 30.51 O HETATM 2075 O HOH 92 -17.225 61.624 48.662 1.00 24.74 O HETATM 2076 O HOH 93 -17.602 42.628 25.063 1.00 24.37 O HETATM 2077 O HOH 94 -28.783 74.248 34.735 1.00 30.47 O HETATM 2078 O HOH 95 -15.315 58.813 14.195 1.00 28.51 O HETATM 2079 O HOH 96 -8.092 62.950 45.913 1.00 14.13 O HETATM 2080 O HOH 97 -4.554 48.874 40.761 1.00 29.29 O HETATM 2081 O HOH 98 -18.227 52.139 15.612 1.00 31.48 O HETATM 2082 O HOH 99 -22.925 64.610 21.904 1.00 27.77 O HETATM 2083 O HOH 100 -5.101 40.376 33.859 1.00 27.18 O HETATM 2084 O HOH 101 -20.444 47.089 51.233 1.00 27.45 O HETATM 2085 O HOH 102 -27.652 70.921 28.823 1.00 28.24 O HETATM 2086 O HOH 103 -3.809 46.939 42.871 1.00 31.20 O HETATM 2087 O HOH 104 -28.502 64.663 25.209 1.00 32.17 O HETATM 2088 O HOH 105 -19.945 67.337 46.999 1.00 31.55 O HETATM 2089 O HOH 106 -20.102 70.192 44.649 1.00 29.05 O HETATM 2090 O HOH 107 -18.526 68.610 45.728 1.00 31.83 O HETATM 2091 O HOH 108 -32.005 59.953 42.978 1.00 27.36 O HETATM 2092 O HOH 109 -24.115 54.027 36.732 1.00 31.06 O HETATM 2093 O HOH 110 -26.746 68.211 26.989 1.00 27.26 O HETATM 2094 O HOH 111 -17.256 53.201 51.020 1.00 28.69 O HETATM 2095 O HOH 112 -21.565 60.711 50.496 1.00 30.05 O HETATM 2096 O HOH 113 -21.960 63.420 19.757 1.00 31.81 O HETATM 2097 O HOH 114 -31.683 64.193 28.084 1.00 37.56 O HETATM 2098 O HOH 115 -5.412 40.312 37.976 1.00 38.22 O HETATM 2099 O HOH 116 -20.921 52.547 16.262 1.00 39.37 O HETATM 2100 O HOH 117 -24.750 55.302 19.354 1.00 41.00 O HETATM 2101 O HOH 118 -4.878 60.091 11.217 1.00 39.57 O HETATM 2102 O HOH 119 -30.716 60.466 38.763 1.00 30.57 O HETATM 2103 O HOH 120 -21.900 41.541 35.707 1.00 31.01 O HETATM 2104 O HOH 121 -28.923 64.808 47.030 1.00 30.22 O HETATM 2105 O HOH 122 -27.104 63.921 23.010 1.00 34.18 O HETATM 2106 O HOH 123 -27.057 40.395 26.949 1.00 42.46 O HETATM 2107 O HOH 124 -20.442 43.988 18.262 1.00 34.64 O HETATM 2108 O HOH 125 -20.935 55.209 14.965 1.00 35.33 O HETATM 2109 O HOH 126 -7.571 38.988 18.415 1.00 39.69 O HETATM 2110 O HOH 127 -22.086 73.282 28.687 1.00 33.57 O HETATM 2111 O HOH 128 -10.480 36.146 34.727 1.00 39.09 O HETATM 2112 O HOH 129 -16.756 56.888 13.544 1.00 32.08 O HETATM 2113 O HOH 130 -26.871 52.053 41.578 1.00 36.34 O HETATM 2114 O HOH 131 -32.429 67.090 41.474 1.00 25.94 O HETATM 2115 O HOH 132 -14.098 58.196 44.613 1.00 26.41 O HETATM 2116 O HOH 133 -33.699 66.208 39.117 1.00 35.13 O HETATM 2117 O HOH 134 -30.583 62.825 35.656 1.00 35.48 O HETATM 2118 O HOH 135 -30.546 56.613 37.479 1.00 44.67 O HETATM 2119 O HOH 136 -7.334 63.257 50.642 1.00 34.35 O HETATM 2120 O HOH 137 4.298 52.221 14.370 1.00 31.23 O HETATM 2121 O HOH 138 -0.319 43.872 12.324 1.00 39.79 O HETATM 2122 O HOH 139 1.530 55.655 34.463 1.00 20.22 O HETATM 2123 O HOH 140 -2.928 61.132 40.814 1.00 25.75 O HETATM 2124 O HOH 141 -1.093 57.676 33.214 1.00 12.29 O HETATM 2125 O HOH 142 1.454 60.049 35.185 1.00 22.20 O HETATM 2126 O HOH 143 2.345 56.942 32.093 1.00 34.16 O HETATM 2127 O HOH 144 4.341 51.301 32.050 1.00 33.64 O HETATM 2128 O HOH 145 3.830 46.502 24.413 1.00 30.03 O HETATM 2129 O HOH 146 -2.793 48.391 28.134 1.00 29.56 O HETATM 2130 O HOH 147 -0.520 41.808 19.762 1.00 32.99 O HETATM 2131 O HOH 148 -4.145 43.879 25.338 1.00 35.15 O HETATM 2132 O HOH 149 2.908 52.541 30.099 1.00 33.90 O HETATM 2133 O HOH 150 1.492 54.910 30.597 1.00 31.63 O HETATM 2134 O HOH 151 3.215 50.437 30.269 1.00 37.94 O HETATM 2135 C1 UNN A 152 -24.656 50.450 39.012 1.00 0.11 C HETATM 2136 C2 UNN A 152 -23.785 50.651 40.110 1.00 0.05 C HETATM 2137 N3 UNN A 152 -22.609 51.375 39.973 1.00 -0.24 N HETATM 2138 C4 UNN A 152 -22.321 51.870 38.708 1.00 0.16 C HETATM 2139 C12 UNN A 152 -21.157 52.717 38.604 1.00 0.06 C HETATM 2140 N13 UNN A 152 -20.369 52.762 39.582 1.00 -0.33 N HETATM 2141 H UNN A 152 -19.547 53.344 39.541 1.00 0.14 H HETATM 2142 H UNN A 152 -20.967 53.300 37.704 1.00 0.12 H HETATM 2143 N5 UNN A 152 -23.170 51.721 37.619 1.00 -0.24 N HETATM 2144 C6 UNN A 152 -24.339 51.023 37.737 1.00 0.05 C HETATM 2145 H UNN A 152 -25.007 50.906 36.891 1.00 0.10 H HETATM 2146 H UNN A 152 -24.042 50.231 41.076 1.00 0.10 H HETATM 2147 C7 UNN A 152 -25.893 49.548 39.265 1.00 0.22 C HETATM 2148 O8 UNN A 152 -26.241 49.366 40.470 1.00 -0.38 O HETATM 2149 N9 UNN A 152 -26.437 48.881 38.172 1.00 -0.27 N HETATM 2150 C10 UNN A 152 -27.568 47.925 38.269 1.00 0.06 C HETATM 2151 C11 UNN A 152 -27.095 46.431 38.393 1.00 -0.02 C HETATM 2152 C14 UNN A 152 -25.915 46.074 39.123 1.00 -0.06 C HETATM 2153 C15 UNN A 152 -25.481 44.726 39.223 1.00 -0.07 C HETATM 2154 C16 UNN A 152 -26.241 43.690 38.611 1.00 -0.07 C HETATM 2155 C17 UNN A 152 -27.425 44.012 37.876 1.00 -0.07 C HETATM 2156 C18 UNN A 152 -27.848 45.374 37.769 1.00 -0.06 C HETATM 2157 H UNN A 152 -28.746 45.614 37.212 1.00 0.06 H HETATM 2158 H UNN A 152 -28.000 43.225 37.401 1.00 0.06 H HETATM 2159 H UNN A 152 -25.923 42.658 38.702 1.00 0.06 H HETATM 2160 H UNN A 152 -24.573 44.486 39.764 1.00 0.06 H HETATM 2161 H UNN A 152 -25.340 46.852 39.611 1.00 0.06 H HETATM 2162 H UNN A 152 -28.167 48.179 39.156 1.00 0.07 H HETATM 2163 H UNN A 152 -28.189 48.023 37.367 1.00 0.07 H HETATM 2164 H UNN A 152 -26.044 49.056 37.269 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 2135 2136 2144 2147 CONECT 2136 2135 2137 2146 CONECT 2137 2136 2138 CONECT 2138 2137 2139 2143 CONECT 2139 2138 2140 2142 CONECT 2140 2139 2141 CONECT 2141 2140 CONECT 2142 2139 CONECT 2143 2138 2144 CONECT 2144 2135 2143 2145 CONECT 2145 2144 CONECT 2146 2136 CONECT 2147 2135 2148 2149 CONECT 2148 2147 CONECT 2149 2147 2150 2164 CONECT 2150 2149 2151 2162 2163 CONECT 2151 2150 2152 2156 CONECT 2152 2151 2153 2161 CONECT 2153 2152 2154 2160 CONECT 2154 2153 2155 2159 CONECT 2155 2154 2156 2158 CONECT 2156 2151 2155 2157 CONECT 2157 2156 CONECT 2158 2155 CONECT 2159 2154 CONECT 2160 2153 CONECT 2161 2152 CONECT 2162 2150 CONECT 2163 2150 CONECT 2164 2149 MASTER 0 0 0 0 0 0 0 0 2163 1 34 16 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4pid
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1avp
RCSB PDB
PDBbind
11aa, >1AVP_2|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6fdq
RCSB PDB
PDBbind
2UQ
Entry Information
PDB ID
4pid
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protease AVP2
Ligand Name
2UQ
EC.Number
E.C.3.4.22.39
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
IC50=24uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Med.Chem.Lett. Vol. 5: pp. 937-941
Ligand Properties
Formula
C
1
3
H
1
2
N
4
O
Molecular Weight
240.261
Exact Mass
240.101
No. of atoms
30
No. of bonds
31
Polar Surface Area
78.73
LOGP Value
0.86 (
Computed with XLOGP3
)
1.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
N=Cc1ncc(cn1)C(=O)NCc1ccccc1
InChI String
InChI=1S/C13H12N4O/c14-6-12-15-8-11(9-16-12)13(18)17-7-10-4-2-1-3-5-10/h1-6,8-9,14H,7H2,(H,17,18)/b14-6+
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):
P03252
P03274
Entrez Gene ID
NCBI Entrez Gene ID:
2652998
2652998
ASD
Information of known allosteric effects of PDB entries
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