Browse entries in the PDBbind-CN Database
HEADER 5MWG_COMPLEX COMPND 5MWG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 LEU THR PRO PHE LEU ILE LEU LEU ARG LYS THR LEU GLU SEQRES 2 A 110 GLN LEU GLN GLU LYS ASP THR GLY ASN ILE PHE SER GLU SEQRES 3 A 110 PRO VAL PRO LEU SER GLU VAL PRO ASP TYR LEU ASP HIS SEQRES 4 A 110 ILE LYS LYS PRO MET ASP PHE PHE THR MET LYS GLN ASN SEQRES 5 A 110 LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP ASP PHE GLU SEQRES 6 A 110 GLU ASP PHE ASN LEU ILE VAL SER ASN CYS LEU LYS TYR SEQRES 7 A 110 ASN ALA LYS ASP THR ILE PHE TYR ARG ALA ALA VAL ARG SEQRES 8 A 110 LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG GLN ALA ARG SEQRES 9 A 110 ARG GLN ALA GLU LYS MET HET WGX A 341 64 ATOM 1 N LEU A 630 -27.146 2.326 5.573 1.00 33.29 N ATOM 2 CA LEU A 630 -26.122 1.296 5.650 1.00 25.56 C ATOM 3 C LEU A 630 -25.533 1.027 4.276 1.00 24.37 C ATOM 4 O LEU A 630 -26.197 1.247 3.269 1.00 26.11 O ATOM 5 CB LEU A 630 -26.687 0.000 6.236 1.00 27.80 C ATOM 6 CG LEU A 630 -27.422 0.129 7.571 1.00 28.80 C ATOM 7 CD1 LEU A 630 -28.023 -1.203 8.004 1.00 28.13 C ATOM 8 CD2 LEU A 630 -26.490 0.658 8.650 1.00 23.59 C ATOM 9 HN3 LEU A 630 -27.905 2.012 4.935 1.00 0.00 H ATOM 10 HN2 LEU A 630 -26.726 3.204 5.207 1.00 0.00 H ATOM 11 HN1 LEU A 630 -27.537 2.496 6.522 1.00 0.00 H ATOM 12 N THR A 631 -24.277 0.586 4.227 1.00 24.99 N ATOM 13 CA THR A 631 -23.719 0.103 2.975 1.00 20.47 C ATOM 14 C THR A 631 -23.094 -1.261 3.212 1.00 21.33 C ATOM 15 O THR A 631 -22.709 -1.579 4.343 1.00 19.09 O ATOM 16 CB THR A 631 -22.660 1.055 2.388 1.00 21.53 C ATOM 17 OG1 THR A 631 -21.445 0.925 3.129 1.00 21.76 O ATOM 18 CG2 THR A 631 -23.114 2.492 2.450 1.00 23.25 C ATOM 19 HG1 THR A 631 -20.763 1.536 2.753 1.00 0.00 H ATOM 20 H THR A 631 -23.694 0.587 5.088 1.00 0.00 H ATOM 21 N PRO A 632 -23.007 -2.102 2.180 1.00 19.19 N ATOM 22 CA PRO A 632 -22.392 -3.423 2.386 1.00 18.87 C ATOM 23 C PRO A 632 -20.967 -3.329 2.882 1.00 18.23 C ATOM 24 O PRO A 632 -20.546 -4.130 3.727 1.00 19.23 O ATOM 25 CB PRO A 632 -22.464 -4.068 0.995 1.00 19.87 C ATOM 26 CG PRO A 632 -23.544 -3.347 0.302 1.00 21.89 C ATOM 27 CD PRO A 632 -23.552 -1.955 0.817 1.00 20.19 C ATOM 28 N PHE A 633 -20.216 -2.344 2.391 1.00 18.20 N ATOM 29 CA PHE A 633 -18.829 -2.199 2.817 1.00 17.80 C ATOM 30 C PHE A 633 -18.730 -1.829 4.290 1.00 19.09 C ATOM 31 O PHE A 633 -17.883 -2.370 5.012 1.00 18.51 O ATOM 32 CB PHE A 633 -18.126 -1.150 1.953 1.00 18.28 C ATOM 33 CG PHE A 633 -16.745 -0.809 2.434 1.00 21.16 C ATOM 34 CD1 PHE A 633 -15.705 -1.716 2.288 1.00 25.23 C ATOM 35 CD2 PHE A 633 -16.502 0.395 3.065 1.00 17.76 C ATOM 36 CE1 PHE A 633 -14.424 -1.412 2.752 1.00 19.24 C ATOM 37 CE2 PHE A 633 -15.231 0.707 3.529 1.00 29.06 C ATOM 38 CZ PHE A 633 -14.200 -0.201 3.373 1.00 24.42 C ATOM 39 H PHE A 633 -20.620 -1.677 1.703 1.00 0.00 H ATOM 40 N LEU A 634 -19.559 -0.890 4.750 1.00 19.28 N ATOM 41 CA LEU A 634 -19.473 -0.477 6.146 1.00 17.35 C ATOM 42 C LEU A 634 -19.946 -1.585 7.073 1.00 17.42 C ATOM 43 O LEU A 634 -19.423 -1.726 8.186 1.00 17.62 O ATOM 44 CB LEU A 634 -20.279 0.798 6.369 1.00 20.47 C ATOM 45 CG LEU A 634 -19.683 2.093 5.802 1.00 23.33 C ATOM 46 CD1 LEU A 634 -20.639 3.250 5.992 1.00 30.72 C ATOM 47 CD2 LEU A 634 -18.302 2.433 6.396 1.00 21.85 C ATOM 48 H LEU A 634 -20.261 -0.456 4.118 1.00 0.00 H ATOM 49 N ILE A 635 -20.923 -2.384 6.629 1.00 18.20 N ATOM 50 CA ILE A 635 -21.365 -3.530 7.420 1.00 18.04 C ATOM 51 C ILE A 635 -20.233 -4.540 7.536 1.00 17.56 C ATOM 52 O ILE A 635 -19.987 -5.099 8.609 1.00 17.48 O ATOM 53 CB ILE A 635 -22.627 -4.157 6.794 1.00 18.66 C ATOM 54 CG1 ILE A 635 -23.816 -3.204 6.919 1.00 22.07 C ATOM 55 CG2 ILE A 635 -22.934 -5.508 7.411 1.00 20.03 C ATOM 56 CD1 ILE A 635 -24.396 -3.149 8.287 1.00 29.07 C ATOM 57 H ILE A 635 -21.372 -2.187 5.712 1.00 0.00 H ATOM 58 N LEU A 636 -19.503 -4.760 6.440 1.00 17.28 N ATOM 59 CA LEU A 636 -18.353 -5.661 6.490 1.00 16.85 C ATOM 60 C LEU A 636 -17.283 -5.140 7.444 1.00 16.75 C ATOM 61 O LEU A 636 -16.686 -5.915 8.200 1.00 16.23 O ATOM 62 CB LEU A 636 -17.782 -5.858 5.080 1.00 18.02 C ATOM 63 CG LEU A 636 -16.439 -6.589 4.976 1.00 19.56 C ATOM 64 CD1 LEU A 636 -16.581 -8.045 5.390 1.00 21.09 C ATOM 65 CD2 LEU A 636 -15.916 -6.494 3.538 1.00 22.02 C ATOM 66 H LEU A 636 -19.753 -4.289 5.547 1.00 0.00 H ATOM 67 N LEU A 637 -17.030 -3.831 7.434 1.00 16.27 N ATOM 68 CA LEU A 637 -16.037 -3.289 8.358 1.00 16.13 C ATOM 69 C LEU A 637 -16.485 -3.459 9.803 1.00 16.11 C ATOM 70 O LEU A 637 -15.661 -3.742 10.675 1.00 15.88 O ATOM 71 CB LEU A 637 -15.767 -1.814 8.070 1.00 17.34 C ATOM 72 CG LEU A 637 -14.959 -1.419 6.835 1.00 18.66 C ATOM 73 CD1 LEU A 637 -14.575 0.035 6.936 1.00 18.99 C ATOM 74 CD2 LEU A 637 -13.729 -2.265 6.714 1.00 19.24 C ATOM 75 H LEU A 637 -17.534 -3.203 6.776 1.00 0.00 H ATOM 76 N ARG A 638 -17.788 -3.305 10.069 1.00 16.59 N ATOM 77 CA ARG A 638 -18.310 -3.519 11.417 1.00 16.86 C ATOM 78 C ARG A 638 -18.066 -4.949 11.875 1.00 16.84 C ATOM 79 O ARG A 638 -17.615 -5.196 13.005 1.00 17.60 O ATOM 80 CB ARG A 638 -19.806 -3.213 11.451 1.00 17.44 C ATOM 81 CG ARG A 638 -20.118 -1.748 11.410 1.00 20.28 C ATOM 82 CD ARG A 638 -21.620 -1.533 11.473 1.00 23.51 C ATOM 83 NE ARG A 638 -21.986 -0.150 11.198 1.00 23.10 N ATOM 84 CZ ARG A 638 -22.087 0.794 12.127 1.00 27.35 C ATOM 85 NH1 ARG A 638 -22.428 2.025 11.778 1.00 25.07 N ATOM 86 NH2 ARG A 638 -21.861 0.506 13.405 1.00 28.10 N ATOM 87 HE ARG A 638 -22.181 0.115 10.211 1.00 0.00 H ATOM 88 HH12 ARG A 638 -22.508 2.767 12.502 1.00 0.00 H ATOM 89 HH11 ARG A 638 -22.616 2.249 10.780 1.00 0.00 H ATOM 90 HH22 ARG A 638 -21.942 1.249 14.128 1.00 0.00 H ATOM 91 HH21 ARG A 638 -21.604 -0.463 13.682 1.00 0.00 H ATOM 92 H ARG A 638 -18.438 -3.029 9.305 1.00 0.00 H ATOM 93 N LYS A 639 -18.387 -5.906 11.012 1.00 16.95 N ATOM 94 CA LYS A 639 -18.171 -7.308 11.343 1.00 16.99 C ATOM 95 C LYS A 639 -16.690 -7.590 11.556 1.00 16.80 C ATOM 96 O LYS A 639 -16.303 -8.253 12.520 1.00 17.02 O ATOM 97 CB LYS A 639 -18.745 -8.184 10.235 1.00 17.59 C ATOM 98 CG LYS A 639 -18.635 -9.663 10.512 1.00 17.73 C ATOM 99 CD LYS A 639 -19.018 -10.436 9.271 1.00 28.16 C ATOM 100 CE LYS A 639 -18.913 -11.925 9.506 1.00 33.74 C ATOM 101 NZ LYS A 639 -19.250 -12.690 8.271 1.00 33.82 N ATOM 102 HZ1 LYS A 639 -20.224 -12.467 7.981 1.00 0.00 H ATOM 103 HZ2 LYS A 639 -18.591 -12.426 7.511 1.00 0.00 H ATOM 104 HZ3 LYS A 639 -19.169 -13.709 8.463 1.00 0.00 H ATOM 105 H LYS A 639 -18.797 -5.652 10.091 1.00 0.00 H ATOM 106 N THR A 640 -15.849 -7.077 10.659 1.00 16.10 N ATOM 107 CA THR A 640 -14.409 -7.284 10.765 1.00 15.67 C ATOM 108 C THR A 640 -13.858 -6.691 12.056 1.00 17.13 C ATOM 109 O THR A 640 -13.042 -7.322 12.736 1.00 15.45 O ATOM 110 CB THR A 640 -13.724 -6.674 9.548 1.00 15.35 C ATOM 111 OG1 THR A 640 -14.320 -7.212 8.361 1.00 16.34 O ATOM 112 CG2 THR A 640 -12.205 -6.974 9.570 1.00 16.29 C ATOM 113 HG1 THR A 640 -15.285 -6.991 8.348 1.00 0.00 H ATOM 114 H THR A 640 -16.227 -6.518 9.868 1.00 0.00 H ATOM 115 N LEU A 641 -14.299 -5.487 12.417 1.00 15.65 N ATOM 116 CA LEU A 641 -13.823 -4.868 13.650 1.00 15.63 C ATOM 117 C LEU A 641 -14.210 -5.690 14.878 1.00 15.96 C ATOM 118 O LEU A 641 -13.398 -5.879 15.790 1.00 16.51 O ATOM 119 CB LEU A 641 -14.369 -3.443 13.754 1.00 15.76 C ATOM 120 CG LEU A 641 -13.933 -2.642 14.981 1.00 17.69 C ATOM 121 CD1 LEU A 641 -12.421 -2.593 15.061 1.00 21.09 C ATOM 122 CD2 LEU A 641 -14.494 -1.238 14.914 1.00 20.53 C ATOM 123 H LEU A 641 -14.985 -4.986 11.818 1.00 0.00 H ATOM 124 N GLU A 642 -15.433 -6.220 14.902 1.00 16.33 N ATOM 125 CA GLU A 642 -15.819 -7.115 15.994 1.00 16.67 C ATOM 126 C GLU A 642 -14.927 -8.351 16.034 1.00 17.42 C ATOM 127 O GLU A 642 -14.506 -8.787 17.110 1.00 18.37 O ATOM 128 CB GLU A 642 -17.291 -7.517 15.840 1.00 18.69 C ATOM 129 CG GLU A 642 -18.267 -6.369 15.992 1.00 27.02 C ATOM 130 CD GLU A 642 -19.703 -6.829 16.181 1.00 37.53 C ATOM 131 OE1 GLU A 642 -20.498 -6.061 16.764 1.00 37.71 O ATOM 132 OE2 GLU A 642 -20.032 -7.962 15.762 1.00 35.38 O ATOM 133 H GLU A 642 -16.112 -5.998 14.146 1.00 0.00 H ATOM 134 N GLN A 643 -14.624 -8.930 14.870 1.00 16.35 N ATOM 135 CA GLN A 643 -13.785 -10.125 14.836 1.00 17.50 C ATOM 136 C GLN A 643 -12.375 -9.834 15.336 1.00 18.76 C ATOM 137 O GLN A 643 -11.764 -10.671 16.012 1.00 20.60 O ATOM 138 CB GLN A 643 -13.745 -10.688 13.417 1.00 18.62 C ATOM 139 CG GLN A 643 -15.049 -11.350 12.982 1.00 17.56 C ATOM 140 CD GLN A 643 -15.073 -11.643 11.502 1.00 19.20 C ATOM 141 OE1 GLN A 643 -14.502 -10.895 10.702 1.00 22.49 O ATOM 142 NE2 GLN A 643 -15.742 -12.728 11.120 1.00 27.80 N ATOM 143 HE22 GLN A 643 -16.208 -13.329 11.830 1.00 0.00 H ATOM 144 HE21 GLN A 643 -15.799 -12.975 10.111 1.00 0.00 H ATOM 145 H GLN A 643 -14.987 -8.528 13.982 1.00 0.00 H ATOM 146 N LEU A 644 -11.839 -8.656 15.015 1.00 16.94 N ATOM 147 CA LEU A 644 -10.512 -8.308 15.509 1.00 15.31 C ATOM 148 C LEU A 644 -10.522 -8.113 17.016 1.00 16.38 C ATOM 149 O LEU A 644 -9.608 -8.580 17.713 1.00 18.41 O ATOM 150 CB LEU A 644 -10.008 -7.047 14.811 1.00 16.17 C ATOM 151 CG LEU A 644 -9.783 -7.138 13.303 1.00 16.03 C ATOM 152 CD1 LEU A 644 -9.513 -5.752 12.752 1.00 15.82 C ATOM 153 CD2 LEU A 644 -8.630 -8.071 12.997 1.00 17.89 C ATOM 154 H LEU A 644 -12.365 -7.989 14.415 1.00 0.00 H ATOM 155 N GLN A 645 -11.554 -7.435 17.537 1.00 15.96 N ATOM 156 CA GLN A 645 -11.640 -7.191 18.971 1.00 16.14 C ATOM 157 C GLN A 645 -11.791 -8.486 19.747 1.00 16.84 C ATOM 158 O GLN A 645 -11.309 -8.585 20.882 1.00 19.67 O ATOM 159 CB GLN A 645 -12.813 -6.266 19.279 1.00 23.14 C ATOM 160 CG GLN A 645 -12.581 -4.847 18.880 1.00 28.90 C ATOM 161 CD GLN A 645 -13.343 -3.874 19.751 1.00 33.47 C ATOM 162 OE1 GLN A 645 -14.231 -3.171 19.272 1.00 30.53 O ATOM 163 NE2 GLN A 645 -12.989 -3.816 21.035 1.00 26.72 N ATOM 164 HE22 GLN A 645 -12.231 -4.431 21.394 1.00 0.00 H ATOM 165 HE21 GLN A 645 -13.471 -3.155 21.678 1.00 0.00 H ATOM 166 H GLN A 645 -12.303 -7.078 16.910 1.00 0.00 H ATOM 167 N GLU A 646 -12.466 -9.482 19.163 1.00 17.75 N ATOM 168 CA GLU A 646 -12.594 -10.780 19.824 1.00 18.34 C ATOM 169 C GLU A 646 -11.232 -11.411 20.075 1.00 18.14 C ATOM 170 O GLU A 646 -11.064 -12.163 21.041 1.00 21.10 O ATOM 171 CB GLU A 646 -13.441 -11.737 18.976 1.00 28.16 C ATOM 172 CG GLU A 646 -14.898 -11.365 18.812 1.00 33.09 C ATOM 173 CD GLU A 646 -15.564 -12.101 17.656 1.00 48.60 C ATOM 174 OE1 GLU A 646 -16.532 -11.554 17.081 1.00 50.40 O ATOM 175 OE2 GLU A 646 -15.123 -13.222 17.319 1.00 48.24 O ATOM 176 H GLU A 646 -12.903 -9.332 18.231 1.00 0.00 H ATOM 177 N LYS A 647 -10.260 -11.154 19.198 1.00 17.74 N ATOM 178 CA LYS A 647 -8.920 -11.695 19.383 1.00 18.07 C ATOM 179 C LYS A 647 -8.182 -11.042 20.541 1.00 18.47 C ATOM 180 O LYS A 647 -7.236 -11.634 21.072 1.00 21.22 O ATOM 181 CB LYS A 647 -8.115 -11.529 18.090 1.00 17.62 C ATOM 182 CG LYS A 647 -8.811 -12.099 16.872 1.00 19.06 C ATOM 183 CD LYS A 647 -9.095 -13.576 17.050 1.00 20.35 C ATOM 184 CE LYS A 647 -9.582 -14.204 15.759 1.00 23.35 C ATOM 185 NZ LYS A 647 -10.063 -15.595 15.976 1.00 26.33 N ATOM 186 HZ1 LYS A 647 -9.286 -16.175 16.352 1.00 0.00 H ATOM 187 HZ2 LYS A 647 -10.850 -15.586 16.656 1.00 0.00 H ATOM 188 HZ3 LYS A 647 -10.388 -15.993 15.072 1.00 0.00 H ATOM 189 H LYS A 647 -10.462 -10.558 18.370 1.00 0.00 H ATOM 190 N ASP A 648 -8.581 -9.836 20.932 1.00 18.37 N ATOM 191 CA ASP A 648 -7.961 -9.123 22.046 1.00 19.62 C ATOM 192 C ASP A 648 -8.679 -9.573 23.314 1.00 17.01 C ATOM 193 O ASP A 648 -9.525 -8.875 23.871 1.00 17.85 O ATOM 194 CB ASP A 648 -8.055 -7.621 21.808 1.00 18.21 C ATOM 195 CG ASP A 648 -7.611 -6.779 22.997 1.00 19.76 C ATOM 196 OD1 ASP A 648 -6.880 -7.279 23.884 1.00 18.07 O ATOM 197 OD2 ASP A 648 -8.009 -5.591 23.022 1.00 18.48 O ATOM 198 H ASP A 648 -9.367 -9.381 20.424 1.00 0.00 H ATOM 199 N THR A 649 -8.339 -10.792 23.754 1.00 19.40 N ATOM 200 CA THR A 649 -9.052 -11.414 24.866 1.00 18.08 C ATOM 201 C THR A 649 -8.864 -10.646 26.170 1.00 18.66 C ATOM 202 O THR A 649 -9.720 -10.726 27.052 1.00 21.52 O ATOM 203 CB THR A 649 -8.618 -12.872 25.049 1.00 23.06 C ATOM 204 OG1 THR A 649 -7.204 -12.938 25.248 1.00 24.65 O ATOM 205 CG2 THR A 649 -8.987 -13.700 23.824 1.00 29.36 C ATOM 206 HG1 THR A 649 -6.743 -12.556 24.460 1.00 0.00 H ATOM 207 H THR A 649 -7.556 -11.302 23.297 1.00 0.00 H ATOM 208 N GLY A 650 -7.767 -9.903 26.317 1.00 18.77 N ATOM 209 CA GLY A 650 -7.612 -9.096 27.515 1.00 18.33 C ATOM 210 C GLY A 650 -8.287 -7.745 27.489 1.00 19.54 C ATOM 211 O GLY A 650 -8.272 -7.030 28.497 1.00 19.78 O ATOM 212 H GLY A 650 -7.031 -9.901 25.583 1.00 0.00 H ATOM 213 N ASN A 651 -8.883 -7.390 26.349 1.00 17.88 N ATOM 214 CA ASN A 651 -9.457 -6.065 26.087 1.00 17.77 C ATOM 215 C ASN A 651 -8.448 -4.944 26.331 1.00 17.68 C ATOM 216 O ASN A 651 -8.826 -3.806 26.620 1.00 20.36 O ATOM 217 CB ASN A 651 -10.731 -5.829 26.904 1.00 20.21 C ATOM 218 CG ASN A 651 -11.902 -6.659 26.414 1.00 27.56 C ATOM 219 OD1 ASN A 651 -11.860 -7.227 25.325 1.00 31.15 O ATOM 220 ND2 ASN A 651 -12.955 -6.738 27.222 1.00 26.96 N ATOM 221 HD22 ASN A 651 -12.948 -6.241 28.135 1.00 0.00 H ATOM 222 HD21 ASN A 651 -13.786 -7.297 26.941 1.00 0.00 H ATOM 223 H ASN A 651 -8.945 -8.102 25.593 1.00 0.00 H ATOM 224 N ILE A 652 -7.152 -5.227 26.166 1.00 17.51 N ATOM 225 CA ILE A 652 -6.166 -4.199 26.479 1.00 18.48 C ATOM 226 C ILE A 652 -6.051 -3.152 25.378 1.00 17.05 C ATOM 227 O ILE A 652 -5.545 -2.054 25.636 1.00 18.12 O ATOM 228 CB ILE A 652 -4.804 -4.839 26.782 1.00 22.02 C ATOM 229 CG1 ILE A 652 -4.203 -5.444 25.524 1.00 21.37 C ATOM 230 CG2 ILE A 652 -4.941 -5.905 27.854 1.00 26.88 C ATOM 231 CD1 ILE A 652 -2.768 -5.896 25.719 1.00 19.88 C ATOM 232 H ILE A 652 -6.853 -6.162 25.821 1.00 0.00 H ATOM 233 N PHE A 653 -6.554 -3.429 24.180 1.00 16.80 N ATOM 234 CA PHE A 653 -6.551 -2.443 23.108 1.00 16.32 C ATOM 235 C PHE A 653 -7.930 -1.838 22.870 1.00 16.41 C ATOM 236 O PHE A 653 -8.152 -1.209 21.832 1.00 16.71 O ATOM 237 CB PHE A 653 -6.015 -3.078 21.820 1.00 15.87 C ATOM 238 CG PHE A 653 -4.659 -3.698 21.981 1.00 15.83 C ATOM 239 CD1 PHE A 653 -3.546 -2.909 22.174 1.00 15.83 C ATOM 240 CD2 PHE A 653 -4.507 -5.074 21.960 1.00 16.19 C ATOM 241 CE1 PHE A 653 -2.293 -3.485 22.321 1.00 15.85 C ATOM 242 CE2 PHE A 653 -3.272 -5.654 22.126 1.00 15.86 C ATOM 243 CZ PHE A 653 -2.158 -4.863 22.316 1.00 15.87 C ATOM 244 H PHE A 653 -6.959 -4.371 24.004 1.00 0.00 H ATOM 245 N SER A 654 -8.855 -2.007 23.812 1.00 16.82 N ATOM 246 CA SER A 654 -10.234 -1.571 23.603 1.00 16.98 C ATOM 247 C SER A 654 -10.374 -0.057 23.629 1.00 20.07 C ATOM 248 O SER A 654 -11.260 0.485 22.964 1.00 22.44 O ATOM 249 CB SER A 654 -11.145 -2.186 24.668 1.00 21.33 C ATOM 250 OG SER A 654 -10.896 -1.613 25.942 1.00 29.71 O ATOM 251 HG SER A 654 -9.953 -1.776 26.197 1.00 0.00 H ATOM 252 H SER A 654 -8.592 -2.457 24.712 1.00 0.00 H ATOM 253 N GLU A 655 -9.526 0.636 24.378 1.00 17.20 N ATOM 254 CA GLU A 655 -9.623 2.073 24.564 1.00 17.38 C ATOM 255 C GLU A 655 -8.238 2.696 24.455 1.00 18.34 C ATOM 256 O GLU A 655 -7.228 1.991 24.538 1.00 17.07 O ATOM 257 CB GLU A 655 -10.261 2.390 25.929 1.00 19.68 C ATOM 258 CG GLU A 655 -11.785 2.219 25.923 1.00 25.88 C ATOM 259 CD GLU A 655 -12.436 2.626 27.226 1.00 43.15 C ATOM 260 OE1 GLU A 655 -11.701 2.842 28.209 1.00 45.76 O ATOM 261 OE2 GLU A 655 -13.681 2.728 27.262 1.00 51.64 O ATOM 262 H GLU A 655 -8.755 0.126 24.855 1.00 0.00 H ATOM 263 N PRO A 656 -8.159 4.014 24.260 1.00 17.29 N ATOM 264 CA PRO A 656 -6.848 4.667 24.201 1.00 17.21 C ATOM 265 C PRO A 656 -5.954 4.290 25.371 1.00 17.76 C ATOM 266 O PRO A 656 -6.407 4.209 26.518 1.00 18.09 O ATOM 267 CB PRO A 656 -7.198 6.155 24.246 1.00 19.62 C ATOM 268 CG PRO A 656 -8.546 6.231 23.646 1.00 21.05 C ATOM 269 CD PRO A 656 -9.258 4.972 24.030 1.00 18.40 C ATOM 270 N VAL A 657 -4.674 4.081 25.077 1.00 17.92 N ATOM 271 CA VAL A 657 -3.658 3.910 26.117 1.00 17.64 C ATOM 272 C VAL A 657 -3.798 5.091 27.074 1.00 18.17 C ATOM 273 O VAL A 657 -3.789 6.245 26.622 1.00 20.31 O ATOM 274 CB VAL A 657 -2.245 3.831 25.515 1.00 17.81 C ATOM 275 CG1 VAL A 657 -1.185 3.942 26.617 1.00 21.99 C ATOM 276 CG2 VAL A 657 -2.055 2.535 24.731 1.00 16.96 C ATOM 277 H VAL A 657 -4.386 4.038 24.079 1.00 0.00 H ATOM 278 N PRO A 658 -3.969 4.859 28.372 1.00 19.08 N ATOM 279 CA PRO A 658 -4.284 5.963 29.290 1.00 19.24 C ATOM 280 C PRO A 658 -3.113 6.903 29.517 1.00 22.56 C ATOM 281 O PRO A 658 -2.135 6.535 30.172 1.00 26.90 O ATOM 282 CB PRO A 658 -4.675 5.234 30.587 1.00 21.73 C ATOM 283 CG PRO A 658 -4.067 3.868 30.469 1.00 23.93 C ATOM 284 CD PRO A 658 -4.117 3.540 29.007 1.00 19.74 C ATOM 285 N LEU A 659 -3.203 8.122 28.984 1.00 26.51 N ATOM 286 CA LEU A 659 -2.087 9.055 29.091 1.00 28.45 C ATOM 287 C LEU A 659 -1.811 9.464 30.529 1.00 33.72 C ATOM 288 O LEU A 659 -0.685 9.868 30.835 1.00 38.30 O ATOM 289 CB LEU A 659 -2.352 10.294 28.237 1.00 33.50 C ATOM 290 CG LEU A 659 -2.601 10.036 26.748 1.00 30.03 C ATOM 291 CD1 LEU A 659 -2.696 11.355 25.984 1.00 26.57 C ATOM 292 CD2 LEU A 659 -1.518 9.142 26.168 1.00 25.50 C ATOM 293 H LEU A 659 -4.072 8.409 28.490 1.00 0.00 H ATOM 294 N SER A 660 -2.809 9.365 31.414 1.00 26.69 N ATOM 295 CA SER A 660 -2.586 9.673 32.824 1.00 35.79 C ATOM 296 C SER A 660 -1.666 8.656 33.486 1.00 34.94 C ATOM 297 O SER A 660 -0.914 9.006 34.402 1.00 33.50 O ATOM 298 CB SER A 660 -3.920 9.744 33.567 1.00 42.91 C ATOM 299 OG SER A 660 -4.525 8.469 33.672 1.00 36.98 O ATOM 300 HG SER A 660 -4.690 8.108 32.765 1.00 0.00 H ATOM 301 H SER A 660 -3.753 9.066 31.095 1.00 0.00 H ATOM 302 N GLU A 661 -1.706 7.399 33.051 1.00 28.11 N ATOM 303 CA GLU A 661 -0.803 6.390 33.587 1.00 25.68 C ATOM 304 C GLU A 661 0.530 6.374 32.869 1.00 29.81 C ATOM 305 O GLU A 661 1.535 5.950 33.452 1.00 33.17 O ATOM 306 CB GLU A 661 -1.439 5.000 33.483 1.00 35.08 C ATOM 307 CG GLU A 661 -2.756 4.869 34.208 1.00 49.05 C ATOM 308 CD GLU A 661 -2.590 4.321 35.610 1.00 53.77 C ATOM 309 OE1 GLU A 661 -3.584 3.814 36.168 1.00 51.72 O ATOM 310 OE2 GLU A 661 -1.464 4.396 36.151 1.00 52.03 O ATOM 311 H GLU A 661 -2.393 7.133 32.317 1.00 0.00 H ATOM 312 N VAL A 662 0.547 6.832 31.622 1.00 27.31 N ATOM 313 CA VAL A 662 1.692 6.744 30.729 1.00 27.21 C ATOM 314 C VAL A 662 1.970 8.142 30.188 1.00 33.41 C ATOM 315 O VAL A 662 1.680 8.413 29.016 1.00 31.41 O ATOM 316 CB VAL A 662 1.404 5.757 29.589 1.00 34.88 C ATOM 317 CG1 VAL A 662 2.672 5.344 28.931 1.00 32.25 C ATOM 318 CG2 VAL A 662 0.638 4.545 30.110 1.00 36.24 C ATOM 319 H VAL A 662 -0.317 7.284 31.260 1.00 0.00 H ATOM 320 N PRO A 663 2.510 9.062 30.994 1.00 27.60 N ATOM 321 CA PRO A 663 2.563 10.470 30.561 1.00 35.34 C ATOM 322 C PRO A 663 3.563 10.747 29.452 1.00 31.22 C ATOM 323 O PRO A 663 3.485 11.816 28.832 1.00 29.81 O ATOM 324 CB PRO A 663 2.940 11.225 31.846 1.00 39.40 C ATOM 325 CG PRO A 663 2.733 10.247 32.967 1.00 44.17 C ATOM 326 CD PRO A 663 2.947 8.891 32.389 1.00 42.81 C ATOM 327 N ASP A 664 4.499 9.839 29.184 1.00 28.34 N ATOM 328 CA ASP A 664 5.464 10.011 28.107 1.00 25.31 C ATOM 329 C ASP A 664 5.043 9.312 26.823 1.00 25.61 C ATOM 330 O ASP A 664 5.830 9.261 25.876 1.00 26.66 O ATOM 331 CB ASP A 664 6.841 9.497 28.542 1.00 30.38 C ATOM 332 CG ASP A 664 6.930 7.976 28.550 1.00 38.46 C ATOM 333 OD1 ASP A 664 5.887 7.302 28.692 1.00 39.98 O ATOM 334 OD2 ASP A 664 8.055 7.450 28.429 1.00 40.86 O ATOM 335 H ASP A 664 4.543 8.977 29.764 1.00 0.00 H ATOM 336 N TYR A 665 3.828 8.758 26.778 1.00 31.45 N ATOM 337 CA TYR A 665 3.428 7.949 25.628 1.00 22.05 C ATOM 338 C TYR A 665 3.523 8.739 24.329 1.00 22.78 C ATOM 339 O TYR A 665 4.006 8.226 23.309 1.00 20.68 O ATOM 340 CB TYR A 665 2.002 7.426 25.828 1.00 21.42 C ATOM 341 CG TYR A 665 1.581 6.377 24.815 1.00 19.23 C ATOM 342 CD1 TYR A 665 2.081 5.091 24.892 1.00 19.03 C ATOM 343 CD2 TYR A 665 0.678 6.672 23.793 1.00 21.08 C ATOM 344 CE1 TYR A 665 1.713 4.126 23.987 1.00 17.05 C ATOM 345 CE2 TYR A 665 0.300 5.705 22.874 1.00 18.23 C ATOM 346 CZ TYR A 665 0.815 4.434 22.988 1.00 18.02 C ATOM 347 OH TYR A 665 0.464 3.457 22.086 1.00 17.48 O ATOM 348 HH TYR A 665 0.925 2.613 22.320 1.00 0.00 H ATOM 349 H TYR A 665 3.164 8.903 27.565 1.00 0.00 H ATOM 350 N LEU A 666 3.068 9.991 24.347 1.00 27.21 N ATOM 351 CA LEU A 666 3.083 10.808 23.142 1.00 20.94 C ATOM 352 C LEU A 666 4.479 11.283 22.773 1.00 27.84 C ATOM 353 O LEU A 666 4.669 11.773 21.654 1.00 26.96 O ATOM 354 CB LEU A 666 2.166 12.019 23.316 1.00 25.22 C ATOM 355 CG LEU A 666 0.685 11.699 23.484 1.00 24.89 C ATOM 356 CD1 LEU A 666 -0.137 12.971 23.426 1.00 27.54 C ATOM 357 CD2 LEU A 666 0.225 10.735 22.416 1.00 27.74 C ATOM 358 H LEU A 666 2.697 10.390 25.233 1.00 0.00 H ATOM 359 N ASP A 667 5.445 11.181 23.693 1.00 30.81 N ATOM 360 CA ASP A 667 6.838 11.427 23.327 1.00 30.92 C ATOM 361 C ASP A 667 7.280 10.476 22.226 1.00 26.83 C ATOM 362 O ASP A 667 8.085 10.840 21.362 1.00 31.84 O ATOM 363 CB ASP A 667 7.761 11.260 24.539 1.00 26.26 C ATOM 364 CG ASP A 667 7.480 12.251 25.648 1.00 34.04 C ATOM 365 OD1 ASP A 667 6.356 12.785 25.730 1.00 44.29 O ATOM 366 OD2 ASP A 667 8.404 12.493 26.450 1.00 43.49 O ATOM 367 H ASP A 667 5.204 10.926 24.672 1.00 0.00 H ATOM 368 N HIS A 668 6.770 9.247 22.250 1.00 25.91 N ATOM 369 CA HIS A 668 7.234 8.182 21.375 1.00 21.26 C ATOM 370 C HIS A 668 6.252 7.830 20.270 1.00 20.27 C ATOM 371 O HIS A 668 6.675 7.437 19.176 1.00 24.08 O ATOM 372 CB HIS A 668 7.521 6.917 22.198 1.00 29.09 C ATOM 373 CG HIS A 668 8.536 7.113 23.282 1.00 34.63 C ATOM 374 ND1 HIS A 668 8.189 7.366 24.592 1.00 37.78 N ATOM 375 CD2 HIS A 668 9.890 7.090 23.250 1.00 37.98 C ATOM 376 CE1 HIS A 668 9.284 7.488 25.320 1.00 36.67 C ATOM 377 NE2 HIS A 668 10.329 7.321 24.531 1.00 37.09 N ATOM 378 H HIS A 668 6.006 9.039 22.924 1.00 0.00 H ATOM 379 N ILE A 669 4.957 7.973 20.516 1.00 22.14 N ATOM 380 CA ILE A 669 3.934 7.467 19.612 1.00 18.45 C ATOM 381 C ILE A 669 3.273 8.654 18.925 1.00 17.74 C ATOM 382 O ILE A 669 2.650 9.494 19.587 1.00 19.41 O ATOM 383 CB ILE A 669 2.905 6.604 20.359 1.00 19.42 C ATOM 384 CG1 ILE A 669 3.586 5.400 21.020 1.00 19.90 C ATOM 385 CG2 ILE A 669 1.797 6.173 19.411 1.00 16.11 C ATOM 386 CD1 ILE A 669 4.577 4.668 20.102 1.00 20.06 C ATOM 387 H ILE A 669 4.662 8.463 21.384 1.00 0.00 H ATOM 388 N LYS A 670 3.435 8.728 17.600 1.00 16.49 N ATOM 389 CA LYS A 670 2.918 9.848 16.818 1.00 16.04 C ATOM 390 C LYS A 670 1.395 9.852 16.782 1.00 19.08 C ATOM 391 O LYS A 670 0.768 10.906 16.942 1.00 19.11 O ATOM 392 CB LYS A 670 3.469 9.792 15.394 1.00 16.85 C ATOM 393 CG LYS A 670 4.943 10.168 15.284 1.00 36.19 C ATOM 394 H LYS A 670 3.945 7.965 17.111 1.00 0.00 H ATOM 395 N LYS A 671 0.784 8.690 16.565 1.00 15.58 N ATOM 396 CA LYS A 671 -0.656 8.596 16.327 1.00 16.22 C ATOM 397 C LYS A 671 -1.209 7.411 17.094 1.00 15.40 C ATOM 398 O LYS A 671 -1.214 6.273 16.606 1.00 15.09 O ATOM 399 CB LYS A 671 -0.970 8.468 14.837 1.00 15.14 C ATOM 400 CG LYS A 671 -2.459 8.450 14.513 1.00 15.10 C ATOM 401 CD LYS A 671 -2.658 8.183 13.025 1.00 14.93 C ATOM 402 CE LYS A 671 -4.052 7.620 12.770 1.00 15.75 C ATOM 403 NZ LYS A 671 -4.292 7.362 11.310 1.00 20.85 N ATOM 404 HZ1 LYS A 671 -4.198 8.253 10.782 1.00 0.00 H ATOM 405 HZ2 LYS A 671 -3.593 6.675 10.961 1.00 0.00 H ATOM 406 HZ3 LYS A 671 -5.250 6.980 11.180 1.00 0.00 H ATOM 407 H LYS A 671 1.350 7.818 16.565 1.00 0.00 H ATOM 408 N PRO A 672 -1.656 7.634 18.319 1.00 15.73 N ATOM 409 CA PRO A 672 -2.249 6.550 19.102 1.00 15.74 C ATOM 410 C PRO A 672 -3.459 5.969 18.388 1.00 15.88 C ATOM 411 O PRO A 672 -4.125 6.649 17.599 1.00 15.45 O ATOM 412 CB PRO A 672 -2.645 7.238 20.409 1.00 16.22 C ATOM 413 CG PRO A 672 -1.683 8.396 20.505 1.00 16.46 C ATOM 414 CD PRO A 672 -1.448 8.861 19.109 1.00 16.18 C ATOM 415 N MET A 673 -3.719 4.686 18.648 1.00 15.38 N ATOM 416 CA MET A 673 -4.897 4.042 18.083 1.00 15.23 C ATOM 417 C MET A 673 -5.359 2.929 19.011 1.00 15.36 C ATOM 418 O MET A 673 -4.585 2.392 19.805 1.00 15.46 O ATOM 419 CB MET A 673 -4.601 3.527 16.662 1.00 14.84 C ATOM 420 CG MET A 673 -5.828 2.998 15.910 1.00 14.74 C ATOM 421 SD MET A 673 -7.182 4.199 15.756 1.00 15.04 S ATOM 422 CE MET A 673 -6.352 5.674 15.162 1.00 16.11 C ATOM 423 H MET A 673 -3.076 4.142 19.258 1.00 0.00 H ATOM 424 N ASP A 674 -6.636 2.586 18.886 1.00 15.42 N ATOM 425 CA ASP A 674 -7.296 1.618 19.751 1.00 15.62 C ATOM 426 C ASP A 674 -8.627 1.294 19.099 1.00 15.61 C ATOM 427 O ASP A 674 -9.072 1.993 18.186 1.00 15.95 O ATOM 428 CB ASP A 674 -7.538 2.182 21.154 1.00 16.07 C ATOM 429 CG ASP A 674 -8.516 3.316 21.118 1.00 16.29 C ATOM 430 OD1 ASP A 674 -8.072 4.455 20.879 1.00 18.02 O ATOM 431 OD2 ASP A 674 -9.729 3.058 21.264 1.00 18.31 O ATOM 432 H ASP A 674 -7.194 3.032 18.130 1.00 0.00 H ATOM 433 N PHE A 675 -9.263 0.233 19.587 1.00 15.76 N ATOM 434 CA PHE A 675 -10.481 -0.256 18.940 1.00 15.95 C ATOM 435 C PHE A 675 -11.664 0.690 19.096 1.00 16.11 C ATOM 436 O PHE A 675 -12.534 0.719 18.219 1.00 16.11 O ATOM 437 CB PHE A 675 -10.855 -1.636 19.481 1.00 15.94 C ATOM 438 CG PHE A 675 -10.006 -2.759 18.937 1.00 15.64 C ATOM 439 CD1 PHE A 675 -9.833 -2.940 17.584 1.00 15.32 C ATOM 440 CD2 PHE A 675 -9.377 -3.632 19.805 1.00 18.40 C ATOM 441 CE1 PHE A 675 -9.047 -3.978 17.098 1.00 15.68 C ATOM 442 CE2 PHE A 675 -8.596 -4.672 19.330 1.00 15.53 C ATOM 443 CZ PHE A 675 -8.430 -4.843 17.970 1.00 17.35 C ATOM 444 H PHE A 675 -8.894 -0.250 20.431 1.00 0.00 H ATOM 445 N PHE A 676 -11.758 1.427 20.204 1.00 16.44 N ATOM 446 CA PHE A 676 -12.866 2.376 20.337 1.00 16.80 C ATOM 447 C PHE A 676 -12.735 3.505 19.321 1.00 18.09 C ATOM 448 O PHE A 676 -13.711 3.886 18.660 1.00 16.77 O ATOM 449 CB PHE A 676 -12.928 2.934 21.766 1.00 19.36 C ATOM 450 CG PHE A 676 -14.030 3.928 21.977 1.00 25.76 C ATOM 451 CD1 PHE A 676 -15.322 3.505 22.212 1.00 37.77 C ATOM 452 CD2 PHE A 676 -13.773 5.287 21.916 1.00 28.86 C ATOM 453 CE1 PHE A 676 -16.344 4.420 22.406 1.00 40.06 C ATOM 454 CE2 PHE A 676 -14.790 6.209 22.111 1.00 29.85 C ATOM 455 CZ PHE A 676 -16.074 5.773 22.349 1.00 30.07 C ATOM 456 H PHE A 676 -11.054 1.329 20.963 1.00 0.00 H ATOM 457 N THR A 677 -11.531 4.062 19.189 1.00 16.41 N ATOM 458 CA THR A 677 -11.297 5.093 18.183 1.00 16.27 C ATOM 459 C THR A 677 -11.586 4.577 16.774 1.00 17.38 C ATOM 460 O THR A 677 -12.165 5.294 15.949 1.00 17.38 O ATOM 461 CB THR A 677 -9.862 5.598 18.313 1.00 17.21 C ATOM 462 OG1 THR A 677 -9.665 6.093 19.649 1.00 19.29 O ATOM 463 CG2 THR A 677 -9.554 6.695 17.282 1.00 18.76 C ATOM 464 HG1 THR A 677 -9.824 5.362 20.297 1.00 0.00 H ATOM 465 H THR A 677 -10.752 3.759 19.808 1.00 0.00 H ATOM 466 N MET A 678 -11.219 3.328 16.484 1.00 15.70 N ATOM 467 CA MET A 678 -11.551 2.748 15.184 1.00 15.50 C ATOM 468 C MET A 678 -13.061 2.692 14.968 1.00 15.82 C ATOM 469 O MET A 678 -13.549 3.015 13.877 1.00 15.83 O ATOM 470 CB MET A 678 -10.959 1.347 15.056 1.00 15.58 C ATOM 471 CG MET A 678 -9.461 1.354 14.783 1.00 14.90 C ATOM 472 SD MET A 678 -8.804 -0.284 14.397 1.00 14.64 S ATOM 473 CE MET A 678 -9.430 -0.512 12.727 1.00 16.09 C ATOM 474 H MET A 678 -10.695 2.765 17.185 1.00 0.00 H ATOM 475 N LYS A 679 -13.812 2.250 15.987 1.00 16.13 N ATOM 476 CA LYS A 679 -15.265 2.192 15.846 1.00 16.51 C ATOM 477 C LYS A 679 -15.827 3.583 15.613 1.00 16.77 C ATOM 478 O LYS A 679 -16.745 3.761 14.802 1.00 18.07 O ATOM 479 CB LYS A 679 -15.911 1.555 17.083 1.00 18.22 C ATOM 480 CG LYS A 679 -17.421 1.382 16.929 1.00 21.68 C ATOM 481 CD LYS A 679 -18.011 0.483 17.995 1.00 25.03 C ATOM 482 CE LYS A 679 -19.518 0.505 17.944 1.00 36.72 C ATOM 483 NZ LYS A 679 -20.042 -0.502 16.991 1.00 39.80 N ATOM 484 HZ1 LYS A 679 -19.676 -0.300 16.039 1.00 0.00 H ATOM 485 HZ2 LYS A 679 -19.735 -1.451 17.287 1.00 0.00 H ATOM 486 HZ3 LYS A 679 -21.081 -0.460 16.981 1.00 0.00 H ATOM 487 H LYS A 679 -13.362 1.949 16.875 1.00 0.00 H ATOM 488 N GLN A 680 -15.295 4.579 16.329 1.00 18.18 N ATOM 489 CA GLN A 680 -15.750 5.951 16.138 1.00 20.64 C ATOM 490 C GLN A 680 -15.455 6.429 14.725 1.00 19.50 C ATOM 491 O GLN A 680 -16.301 7.072 14.091 1.00 19.76 O ATOM 492 CB GLN A 680 -15.092 6.872 17.164 1.00 24.14 C ATOM 493 CG GLN A 680 -15.503 6.591 18.599 1.00 19.67 C ATOM 494 CD GLN A 680 -16.951 6.938 18.856 1.00 35.18 C ATOM 495 OE1 GLN A 680 -17.354 8.091 18.714 1.00 51.22 O ATOM 496 NE2 GLN A 680 -17.746 5.940 19.219 1.00 41.79 N ATOM 497 HE22 GLN A 680 -17.360 4.980 19.327 1.00 0.00 H ATOM 498 HE21 GLN A 680 -18.755 6.117 19.396 1.00 0.00 H ATOM 499 H GLN A 680 -14.552 4.374 17.027 1.00 0.00 H ATOM 500 N ASN A 681 -14.255 6.117 14.217 1.00 18.05 N ATOM 501 CA ASN A 681 -13.907 6.444 12.838 1.00 16.24 C ATOM 502 C ASN A 681 -14.864 5.781 11.864 1.00 19.79 C ATOM 503 O ASN A 681 -15.317 6.412 10.902 1.00 19.25 O ATOM 504 CB ASN A 681 -12.474 5.993 12.535 1.00 15.77 C ATOM 505 CG ASN A 681 -11.430 6.966 13.038 1.00 23.22 C ATOM 506 OD1 ASN A 681 -11.692 8.159 13.174 1.00 25.64 O ATOM 507 ND2 ASN A 681 -10.234 6.455 13.318 1.00 20.26 N ATOM 508 HD22 ASN A 681 -10.059 5.438 13.187 1.00 0.00 H ATOM 509 HD21 ASN A 681 -9.474 7.072 13.668 1.00 0.00 H ATOM 510 H ASN A 681 -13.558 5.632 14.817 1.00 0.00 H ATOM 511 N LEU A 682 -15.168 4.502 12.095 1.00 16.26 N ATOM 512 CA LEU A 682 -16.047 3.754 11.205 1.00 17.89 C ATOM 513 C LEU A 682 -17.415 4.399 11.148 1.00 17.53 C ATOM 514 O LEU A 682 -17.943 4.676 10.066 1.00 18.41 O ATOM 515 CB LEU A 682 -16.170 2.310 11.696 1.00 19.48 C ATOM 516 CG LEU A 682 -16.846 1.222 10.847 1.00 19.58 C ATOM 517 CD1 LEU A 682 -16.561 -0.120 11.477 1.00 20.08 C ATOM 518 CD2 LEU A 682 -18.348 1.385 10.680 1.00 25.39 C ATOM 519 H LEU A 682 -14.768 4.028 12.930 1.00 0.00 H ATOM 520 N GLU A 683 -18.008 4.632 12.319 1.00 17.24 N ATOM 521 CA GLU A 683 -19.346 5.204 12.397 1.00 18.86 C ATOM 522 C GLU A 683 -19.376 6.637 11.897 1.00 19.52 C ATOM 523 O GLU A 683 -20.453 7.138 11.550 1.00 26.47 O ATOM 524 CB GLU A 683 -19.858 5.117 13.841 1.00 18.89 C ATOM 525 CG GLU A 683 -19.897 3.690 14.354 1.00 22.12 C ATOM 526 CD GLU A 683 -20.725 3.524 15.609 1.00 29.75 C ATOM 527 OE1 GLU A 683 -21.391 2.478 15.732 1.00 34.52 O ATOM 528 OE2 GLU A 683 -20.702 4.429 16.470 1.00 29.89 O ATOM 529 H GLU A 683 -17.503 4.400 13.198 1.00 0.00 H ATOM 530 N ALA A 684 -18.226 7.307 11.841 1.00 22.31 N ATOM 531 CA ALA A 684 -18.155 8.659 11.309 1.00 20.66 C ATOM 532 C ALA A 684 -17.798 8.692 9.827 1.00 21.65 C ATOM 533 O ALA A 684 -17.554 9.780 9.293 1.00 24.57 O ATOM 534 CB ALA A 684 -17.154 9.492 12.109 1.00 21.87 C ATOM 535 H ALA A 684 -17.357 6.852 12.186 1.00 0.00 H ATOM 536 N TYR A 685 -17.775 7.530 9.161 1.00 21.24 N ATOM 537 CA TYR A 685 -17.525 7.399 7.723 1.00 22.19 C ATOM 538 C TYR A 685 -16.110 7.809 7.340 1.00 23.56 C ATOM 539 O TYR A 685 -15.856 8.245 6.214 1.00 28.95 O ATOM 540 CB TYR A 685 -18.558 8.183 6.908 1.00 25.89 C ATOM 541 CG TYR A 685 -19.956 7.841 7.331 1.00 27.68 C ATOM 542 CD1 TYR A 685 -20.471 6.580 7.087 1.00 29.38 C ATOM 543 CD2 TYR A 685 -20.752 8.765 7.992 1.00 29.57 C ATOM 544 CE1 TYR A 685 -21.745 6.244 7.478 1.00 31.82 C ATOM 545 CE2 TYR A 685 -22.034 8.436 8.393 1.00 32.33 C ATOM 546 CZ TYR A 685 -22.520 7.169 8.130 1.00 34.70 C ATOM 547 OH TYR A 685 -23.789 6.815 8.513 1.00 35.53 O ATOM 548 HH TYR A 685 -23.964 5.878 8.244 1.00 0.00 H ATOM 549 H TYR A 685 -17.947 6.659 9.703 1.00 0.00 H ATOM 550 N ARG A 686 -15.166 7.637 8.247 1.00 19.26 N ATOM 551 CA ARG A 686 -13.788 7.964 7.932 1.00 19.99 C ATOM 552 C ARG A 686 -13.033 6.800 7.305 1.00 21.04 C ATOM 553 O ARG A 686 -11.893 6.990 6.854 1.00 21.76 O ATOM 554 CB ARG A 686 -13.077 8.461 9.192 1.00 21.79 C ATOM 555 CG ARG A 686 -13.602 9.806 9.663 1.00 25.68 C ATOM 556 CD ARG A 686 -12.651 10.455 10.639 1.00 26.45 C ATOM 557 NE ARG A 686 -12.899 9.961 11.982 1.00 33.30 N ATOM 558 CZ ARG A 686 -13.789 10.487 12.816 1.00 34.16 C ATOM 559 NH1 ARG A 686 -14.501 11.543 12.452 1.00 38.30 N ATOM 560 NH2 ARG A 686 -13.958 9.964 14.019 1.00 29.96 N ATOM 561 HE ARG A 686 -12.345 9.145 12.311 1.00 0.00 H ATOM 562 HH12 ARG A 686 -15.197 11.952 13.108 1.00 0.00 H ATOM 563 HH11 ARG A 686 -14.364 11.963 11.510 1.00 0.00 H ATOM 564 HH22 ARG A 686 -14.655 10.376 14.672 1.00 0.00 H ATOM 565 HH21 ARG A 686 -13.394 9.141 14.312 1.00 0.00 H ATOM 566 H ARG A 686 -15.410 7.267 9.188 1.00 0.00 H ATOM 567 N TYR A 687 -13.642 5.611 7.234 1.00 16.50 N ATOM 568 CA TYR A 687 -13.118 4.485 6.463 1.00 17.65 C ATOM 569 C TYR A 687 -14.037 4.195 5.280 1.00 20.36 C ATOM 570 O TYR A 687 -15.043 3.493 5.428 1.00 23.39 O ATOM 571 CB TYR A 687 -12.993 3.234 7.322 1.00 15.93 C ATOM 572 CG TYR A 687 -12.165 3.359 8.571 1.00 15.22 C ATOM 573 CD1 TYR A 687 -10.896 3.932 8.560 1.00 16.50 C ATOM 574 CD2 TYR A 687 -12.659 2.870 9.768 1.00 17.34 C ATOM 575 CE1 TYR A 687 -10.153 4.015 9.713 1.00 14.74 C ATOM 576 CE2 TYR A 687 -11.943 2.941 10.922 1.00 16.88 C ATOM 577 CZ TYR A 687 -10.691 3.512 10.900 1.00 16.54 C ATOM 578 OH TYR A 687 -9.995 3.574 12.076 1.00 18.03 O ATOM 579 HH TYR A 687 -9.118 4.005 11.917 1.00 0.00 H ATOM 580 H TYR A 687 -14.533 5.481 7.754 1.00 0.00 H ATOM 581 N LEU A 688 -13.658 4.692 4.098 1.00 18.90 N ATOM 582 CA LEU A 688 -14.355 4.404 2.850 1.00 24.85 C ATOM 583 C LEU A 688 -13.659 3.324 2.035 1.00 22.01 C ATOM 584 O LEU A 688 -14.191 2.893 1.009 1.00 22.36 O ATOM 585 CB LEU A 688 -14.469 5.674 1.999 1.00 30.47 C ATOM 586 CG LEU A 688 -15.762 6.486 2.080 1.00 41.56 C ATOM 587 CD1 LEU A 688 -15.845 7.131 3.424 1.00 39.12 C ATOM 588 CD2 LEU A 688 -15.811 7.538 0.985 1.00 48.11 C ATOM 589 H LEU A 688 -12.825 5.314 4.067 1.00 0.00 H ATOM 590 N ASN A 689 -12.474 2.896 2.455 1.00 17.26 N ATOM 591 CA ASN A 689 -11.762 1.825 1.785 1.00 17.67 C ATOM 592 C ASN A 689 -11.112 0.956 2.838 1.00 16.91 C ATOM 593 O ASN A 689 -10.905 1.367 3.984 1.00 15.96 O ATOM 594 CB ASN A 689 -10.685 2.341 0.825 1.00 18.73 C ATOM 595 CG ASN A 689 -9.649 3.166 1.527 1.00 20.02 C ATOM 596 OD1 ASN A 689 -8.775 2.628 2.208 1.00 20.03 O ATOM 597 ND2 ASN A 689 -9.758 4.479 1.413 1.00 25.84 N ATOM 598 HD22 ASN A 689 -10.512 4.889 0.826 1.00 0.00 H ATOM 599 HD21 ASN A 689 -9.089 5.101 1.910 1.00 0.00 H ATOM 600 H ASN A 689 -12.044 3.343 3.290 1.00 0.00 H ATOM 601 N PHE A 690 -10.804 -0.263 2.434 1.00 15.29 N ATOM 602 CA PHE A 690 -10.319 -1.234 3.396 1.00 14.38 C ATOM 603 C PHE A 690 -8.933 -0.877 3.907 1.00 16.36 C ATOM 604 O PHE A 690 -8.613 -1.159 5.067 1.00 15.82 O ATOM 605 CB PHE A 690 -10.311 -2.627 2.775 1.00 16.07 C ATOM 606 CG PHE A 690 -10.252 -3.725 3.787 1.00 16.19 C ATOM 607 CD1 PHE A 690 -11.405 -4.197 4.387 1.00 17.98 C ATOM 608 CD2 PHE A 690 -9.038 -4.232 4.189 1.00 15.95 C ATOM 609 CE1 PHE A 690 -11.347 -5.202 5.353 1.00 17.41 C ATOM 610 CE2 PHE A 690 -8.963 -5.229 5.150 1.00 14.02 C ATOM 611 CZ PHE A 690 -10.130 -5.713 5.727 1.00 19.41 C ATOM 612 H PHE A 690 -10.909 -0.525 1.433 1.00 0.00 H ATOM 613 N ASP A 691 -8.099 -0.271 3.058 1.00 14.45 N ATOM 614 CA ASP A 691 -6.722 0.029 3.446 1.00 13.71 C ATOM 615 C ASP A 691 -6.657 0.969 4.629 1.00 13.72 C ATOM 616 O ASP A 691 -5.819 0.792 5.518 1.00 13.57 O ATOM 617 CB ASP A 691 -5.962 0.662 2.283 1.00 15.19 C ATOM 618 CG ASP A 691 -5.951 -0.184 1.081 1.00 27.49 C ATOM 619 OD1 ASP A 691 -5.781 -1.404 1.234 1.00 23.63 O ATOM 620 OD2 ASP A 691 -6.099 0.380 -0.022 1.00 33.44 O ATOM 621 H ASP A 691 -8.434 -0.009 2.109 1.00 0.00 H ATOM 622 N ASP A 692 -7.492 2.005 4.633 1.00 13.94 N ATOM 623 CA ASP A 692 -7.448 2.964 5.730 1.00 14.01 C ATOM 624 C ASP A 692 -7.827 2.291 7.035 1.00 14.65 C ATOM 625 O ASP A 692 -7.246 2.583 8.084 1.00 15.63 O ATOM 626 CB ASP A 692 -8.372 4.157 5.456 1.00 15.90 C ATOM 627 CG ASP A 692 -7.907 4.998 4.289 1.00 20.46 C ATOM 628 OD1 ASP A 692 -6.692 4.987 3.965 1.00 19.18 O ATOM 629 OD2 ASP A 692 -8.773 5.680 3.699 1.00 22.22 O ATOM 630 H ASP A 692 -8.173 2.130 3.857 1.00 0.00 H ATOM 631 N PHE A 693 -8.793 1.374 6.978 1.00 14.11 N ATOM 632 CA PHE A 693 -9.198 0.607 8.151 1.00 14.17 C ATOM 633 C PHE A 693 -8.076 -0.318 8.607 1.00 13.93 C ATOM 634 O PHE A 693 -7.695 -0.323 9.780 1.00 13.93 O ATOM 635 CB PHE A 693 -10.473 -0.169 7.792 1.00 14.38 C ATOM 636 CG PHE A 693 -10.925 -1.169 8.821 1.00 14.48 C ATOM 637 CD1 PHE A 693 -11.797 -0.795 9.828 1.00 14.75 C ATOM 638 CD2 PHE A 693 -10.558 -2.500 8.714 1.00 16.10 C ATOM 639 CE1 PHE A 693 -12.250 -1.722 10.756 1.00 15.88 C ATOM 640 CE2 PHE A 693 -10.993 -3.424 9.640 1.00 19.10 C ATOM 641 CZ PHE A 693 -11.844 -3.040 10.652 1.00 16.34 C ATOM 642 H PHE A 693 -9.272 1.200 6.071 1.00 0.00 H ATOM 643 N GLU A 694 -7.495 -1.072 7.675 1.00 13.76 N ATOM 644 CA GLU A 694 -6.489 -2.050 8.085 1.00 13.60 C ATOM 645 C GLU A 694 -5.241 -1.348 8.625 1.00 13.48 C ATOM 646 O GLU A 694 -4.599 -1.832 9.567 1.00 14.75 O ATOM 647 CB GLU A 694 -6.151 -2.972 6.907 1.00 13.50 C ATOM 648 CG GLU A 694 -4.917 -3.795 7.109 1.00 13.35 C ATOM 649 CD GLU A 694 -4.681 -4.765 5.964 1.00 21.80 C ATOM 650 OE1 GLU A 694 -5.008 -5.960 6.117 1.00 26.84 O ATOM 651 OE2 GLU A 694 -4.147 -4.328 4.926 1.00 27.83 O ATOM 652 H GLU A 694 -7.753 -0.967 6.673 1.00 0.00 H ATOM 653 N GLU A 695 -4.893 -0.192 8.057 1.00 13.46 N ATOM 654 CA GLU A 695 -3.731 0.539 8.558 1.00 13.42 C ATOM 655 C GLU A 695 -3.922 0.970 10.006 1.00 13.57 C ATOM 656 O GLU A 695 -2.956 0.997 10.772 1.00 13.62 O ATOM 657 CB GLU A 695 -3.433 1.754 7.670 1.00 13.96 C ATOM 658 CG GLU A 695 -2.688 1.347 6.406 1.00 15.69 C ATOM 659 CD GLU A 695 -2.674 2.397 5.324 1.00 27.43 C ATOM 660 OE1 GLU A 695 -2.708 3.605 5.630 1.00 25.84 O ATOM 661 OE2 GLU A 695 -2.603 1.998 4.148 1.00 22.11 O ATOM 662 H GLU A 695 -5.446 0.187 7.262 1.00 0.00 H ATOM 663 N ASP A 696 -5.154 1.296 10.411 1.00 13.74 N ATOM 664 CA ASP A 696 -5.356 1.669 11.810 1.00 13.94 C ATOM 665 C ASP A 696 -5.236 0.460 12.734 1.00 13.99 C ATOM 666 O ASP A 696 -4.706 0.582 13.850 1.00 14.12 O ATOM 667 CB ASP A 696 -6.706 2.373 11.985 1.00 14.18 C ATOM 668 CG ASP A 696 -6.603 3.885 11.860 1.00 15.83 C ATOM 669 OD1 ASP A 696 -5.476 4.408 11.835 1.00 17.69 O ATOM 670 OD2 ASP A 696 -7.656 4.554 11.810 1.00 16.76 O ATOM 671 H ASP A 696 -5.952 1.284 9.744 1.00 0.00 H ATOM 672 N PHE A 697 -5.721 -0.713 12.304 1.00 13.89 N ATOM 673 CA PHE A 697 -5.475 -1.928 13.073 1.00 13.92 C ATOM 674 C PHE A 697 -3.982 -2.168 13.228 1.00 13.81 C ATOM 675 O PHE A 697 -3.489 -2.422 14.338 1.00 14.55 O ATOM 676 CB PHE A 697 -6.115 -3.153 12.418 1.00 13.90 C ATOM 677 CG PHE A 697 -5.691 -4.439 13.067 1.00 13.95 C ATOM 678 CD1 PHE A 697 -6.254 -4.813 14.282 1.00 18.27 C ATOM 679 CD2 PHE A 697 -4.693 -5.232 12.524 1.00 13.80 C ATOM 680 CE1 PHE A 697 -5.855 -5.975 14.923 1.00 16.05 C ATOM 681 CE2 PHE A 697 -4.303 -6.411 13.156 1.00 17.62 C ATOM 682 CZ PHE A 697 -4.886 -6.778 14.369 1.00 18.07 C ATOM 683 H PHE A 697 -6.272 -0.757 11.423 1.00 0.00 H ATOM 684 N ASN A 698 -3.243 -2.073 12.117 1.00 13.61 N ATOM 685 CA ASN A 698 -1.799 -2.286 12.183 1.00 13.54 C ATOM 686 C ASN A 698 -1.126 -1.278 13.104 1.00 13.69 C ATOM 687 O ASN A 698 -0.093 -1.583 13.714 1.00 14.26 O ATOM 688 CB ASN A 698 -1.186 -2.215 10.783 1.00 14.81 C ATOM 689 CG ASN A 698 -1.573 -3.397 9.908 1.00 16.47 C ATOM 690 OD1 ASN A 698 -2.018 -4.430 10.391 1.00 23.91 O ATOM 691 ND2 ASN A 698 -1.380 -3.246 8.603 1.00 21.28 N ATOM 692 HD22 ASN A 698 -1.000 -2.351 8.234 1.00 0.00 H ATOM 693 HD21 ASN A 698 -1.609 -4.022 7.950 1.00 0.00 H ATOM 694 H ASN A 698 -3.695 -1.848 11.208 1.00 0.00 H ATOM 695 N LEU A 699 -1.703 -0.086 13.228 1.00 13.77 N ATOM 696 CA LEU A 699 -1.162 0.934 14.113 1.00 14.26 C ATOM 697 C LEU A 699 -1.357 0.561 15.580 1.00 14.22 C ATOM 698 O LEU A 699 -0.494 0.860 16.418 1.00 14.42 O ATOM 699 CB LEU A 699 -1.838 2.271 13.816 1.00 15.33 C ATOM 700 CG LEU A 699 -1.229 3.591 14.243 1.00 25.98 C ATOM 701 CD1 LEU A 699 0.176 3.736 13.679 1.00 19.22 C ATOM 702 CD2 LEU A 699 -2.126 4.690 13.723 1.00 26.26 C ATOM 703 H LEU A 699 -2.562 0.122 12.679 1.00 0.00 H ATOM 704 N ILE A 700 -2.472 -0.095 15.917 1.00 14.27 N ATOM 705 CA ILE A 700 -2.649 -0.576 17.291 1.00 14.55 C ATOM 706 C ILE A 700 -1.499 -1.497 17.654 1.00 14.57 C ATOM 707 O ILE A 700 -0.871 -1.362 18.715 1.00 14.84 O ATOM 708 CB ILE A 700 -4.003 -1.287 17.445 1.00 14.61 C ATOM 709 CG1 ILE A 700 -5.143 -0.289 17.269 1.00 14.70 C ATOM 710 CG2 ILE A 700 -4.104 -1.947 18.809 1.00 15.01 C ATOM 711 CD1 ILE A 700 -6.530 -0.947 17.225 1.00 14.79 C ATOM 712 H ILE A 700 -3.212 -0.264 15.206 1.00 0.00 H ATOM 713 N VAL A 701 -1.175 -2.413 16.736 1.00 14.34 N ATOM 714 CA VAL A 701 -0.089 -3.359 16.956 1.00 14.39 C ATOM 715 C VAL A 701 1.258 -2.643 16.990 1.00 14.45 C ATOM 716 O VAL A 701 2.046 -2.820 17.926 1.00 14.72 O ATOM 717 CB VAL A 701 -0.107 -4.447 15.864 1.00 14.16 C ATOM 718 CG1 VAL A 701 1.140 -5.336 15.977 1.00 14.83 C ATOM 719 CG2 VAL A 701 -1.369 -5.290 15.946 1.00 16.53 C ATOM 720 H VAL A 701 -1.710 -2.451 15.845 1.00 0.00 H ATOM 721 N SER A 702 1.562 -1.852 15.955 1.00 14.24 N ATOM 722 CA SER A 702 2.915 -1.309 15.852 1.00 14.33 C ATOM 723 C SER A 702 3.214 -0.284 16.939 1.00 14.65 C ATOM 724 O SER A 702 4.356 -0.205 17.404 1.00 14.88 O ATOM 725 CB SER A 702 3.142 -0.698 14.466 1.00 14.08 C ATOM 726 OG SER A 702 2.338 0.451 14.264 1.00 15.16 O ATOM 727 HG SER A 702 2.510 0.818 13.361 1.00 0.00 H ATOM 728 H SER A 702 0.847 -1.627 15.235 1.00 0.00 H ATOM 729 N ASN A 703 2.219 0.503 17.361 1.00 14.72 N ATOM 730 CA ASN A 703 2.440 1.428 18.472 1.00 15.09 C ATOM 731 C ASN A 703 2.823 0.671 19.734 1.00 15.41 C ATOM 732 O ASN A 703 3.698 1.104 20.492 1.00 16.22 O ATOM 733 CB ASN A 703 1.173 2.234 18.771 1.00 15.16 C ATOM 734 CG ASN A 703 0.879 3.318 17.756 1.00 15.00 C ATOM 735 OD1 ASN A 703 1.719 3.703 16.944 1.00 14.89 O ATOM 736 ND2 ASN A 703 -0.351 3.821 17.808 1.00 15.03 N ATOM 737 HD22 ASN A 703 -1.029 3.465 18.512 1.00 0.00 H ATOM 738 HD21 ASN A 703 -0.635 4.570 17.145 1.00 0.00 H ATOM 739 H ASN A 703 1.288 0.457 16.899 1.00 0.00 H ATOM 740 N CYS A 704 2.172 -0.467 19.963 1.00 15.35 N ATOM 741 CA CYS A 704 2.416 -1.257 21.164 1.00 15.98 C ATOM 742 C CYS A 704 3.800 -1.893 21.128 1.00 15.91 C ATOM 743 O CYS A 704 4.543 -1.843 22.119 1.00 16.25 O ATOM 744 CB CYS A 704 1.333 -2.321 21.284 1.00 15.63 C ATOM 745 SG CYS A 704 1.457 -3.314 22.773 1.00 16.11 S ATOM 746 H CYS A 704 1.473 -0.801 19.269 1.00 0.00 H ATOM 747 N LEU A 705 4.180 -2.471 19.980 1.00 15.48 N ATOM 748 CA LEU A 705 5.530 -3.017 19.872 1.00 15.62 C ATOM 749 C LEU A 705 6.577 -1.932 20.042 1.00 16.41 C ATOM 750 O LEU A 705 7.660 -2.191 20.573 1.00 17.44 O ATOM 751 CB LEU A 705 5.721 -3.714 18.521 1.00 15.25 C ATOM 752 CG LEU A 705 4.673 -4.757 18.165 1.00 15.03 C ATOM 753 CD1 LEU A 705 4.880 -5.232 16.724 1.00 14.70 C ATOM 754 CD2 LEU A 705 4.773 -5.947 19.109 1.00 16.04 C ATOM 755 H LEU A 705 3.522 -2.530 19.177 1.00 0.00 H ATOM 756 N LYS A 706 6.288 -0.722 19.572 1.00 16.54 N ATOM 757 CA LYS A 706 7.272 0.347 19.665 1.00 16.16 C ATOM 758 C LYS A 706 7.449 0.800 21.107 1.00 18.90 C ATOM 759 O LYS A 706 8.576 0.926 21.597 1.00 18.88 O ATOM 760 CB LYS A 706 6.853 1.530 18.795 1.00 18.73 C ATOM 761 CG LYS A 706 7.832 2.699 18.896 1.00 23.59 C ATOM 762 CD LYS A 706 7.455 3.832 17.958 1.00 25.45 C ATOM 763 CE LYS A 706 8.409 5.010 18.133 1.00 25.32 C ATOM 764 NZ LYS A 706 8.093 6.142 17.215 1.00 31.16 N ATOM 765 HZ1 LYS A 706 8.162 5.817 16.229 1.00 0.00 H ATOM 766 HZ2 LYS A 706 7.128 6.480 17.403 1.00 0.00 H ATOM 767 HZ3 LYS A 706 8.770 6.915 17.374 1.00 0.00 H ATOM 768 H LYS A 706 5.360 -0.540 19.139 1.00 0.00 H ATOM 769 N TYR A 707 6.339 1.037 21.806 1.00 17.85 N ATOM 770 CA TYR A 707 6.417 1.642 23.128 1.00 19.38 C ATOM 771 C TYR A 707 6.959 0.675 24.170 1.00 19.17 C ATOM 772 O TYR A 707 7.686 1.086 25.081 1.00 23.40 O ATOM 773 CB TYR A 707 5.045 2.152 23.560 1.00 19.28 C ATOM 774 CG TYR A 707 5.140 2.867 24.875 1.00 17.65 C ATOM 775 CD1 TYR A 707 5.702 4.134 24.936 1.00 18.38 C ATOM 776 CD2 TYR A 707 4.713 2.275 26.055 1.00 18.00 C ATOM 777 CE1 TYR A 707 5.827 4.800 26.142 1.00 21.79 C ATOM 778 CE2 TYR A 707 4.834 2.929 27.267 1.00 19.40 C ATOM 779 CZ TYR A 707 5.396 4.193 27.298 1.00 22.34 C ATOM 780 OH TYR A 707 5.519 4.851 28.512 1.00 28.12 O ATOM 781 HH TYR A 707 5.937 5.737 28.365 1.00 0.00 H ATOM 782 H TYR A 707 5.412 0.788 21.405 1.00 0.00 H ATOM 783 N ASN A 708 6.609 -0.604 24.063 1.00 17.75 N ATOM 784 CA ASN A 708 6.815 -1.555 25.153 1.00 17.73 C ATOM 785 C ASN A 708 8.017 -2.453 24.897 1.00 21.24 C ATOM 786 O ASN A 708 8.271 -2.873 23.763 1.00 17.45 O ATOM 787 CB ASN A 708 5.568 -2.414 25.348 1.00 17.56 C ATOM 788 CG ASN A 708 4.364 -1.595 25.689 1.00 17.54 C ATOM 789 OD1 ASN A 708 3.538 -1.295 24.825 1.00 20.71 O ATOM 790 ND2 ASN A 708 4.249 -1.215 26.960 1.00 18.07 N ATOM 791 HD22 ASN A 708 4.972 -1.493 27.653 1.00 0.00 H ATOM 792 HD21 ASN A 708 3.436 -0.640 27.259 1.00 0.00 H ATOM 793 H ASN A 708 6.176 -0.937 23.178 1.00 0.00 H ATOM 794 N ALA A 709 8.738 -2.777 25.966 1.00 19.88 N ATOM 795 CA ALA A 709 9.820 -3.741 25.849 1.00 20.51 C ATOM 796 C ALA A 709 9.275 -5.107 25.448 1.00 20.07 C ATOM 797 O ALA A 709 8.105 -5.429 25.671 1.00 18.56 O ATOM 798 CB ALA A 709 10.588 -3.843 27.168 1.00 22.68 C ATOM 799 H ALA A 709 8.528 -2.341 26.886 1.00 0.00 H ATOM 800 N LYS A 710 10.136 -5.907 24.817 1.00 18.34 N ATOM 801 CA LYS A 710 9.700 -7.202 24.310 1.00 18.09 C ATOM 802 C LYS A 710 9.177 -8.083 25.432 1.00 18.48 C ATOM 803 O LYS A 710 8.211 -8.829 25.240 1.00 21.22 O ATOM 804 CB LYS A 710 10.841 -7.901 23.575 1.00 20.51 C ATOM 805 CG LYS A 710 11.275 -7.211 22.302 1.00 23.43 C ATOM 806 CD LYS A 710 12.226 -8.101 21.510 1.00 19.89 C ATOM 807 CE LYS A 710 11.507 -8.792 20.372 1.00 19.50 C ATOM 808 NZ LYS A 710 12.410 -9.787 19.711 1.00 18.89 N ATOM 809 HZ1 LYS A 710 13.247 -9.298 19.336 1.00 0.00 H ATOM 810 HZ2 LYS A 710 12.707 -10.500 20.407 1.00 0.00 H ATOM 811 HZ3 LYS A 710 11.901 -10.252 18.932 1.00 0.00 H ATOM 812 H LYS A 710 11.123 -5.605 24.686 1.00 0.00 H ATOM 813 N ASP A 711 9.822 -8.025 26.600 1.00 21.14 N ATOM 814 CA ASP A 711 9.435 -8.815 27.764 1.00 19.89 C ATOM 815 C ASP A 711 8.366 -8.084 28.572 1.00 25.46 C ATOM 816 O ASP A 711 8.557 -7.716 29.735 1.00 27.54 O ATOM 817 CB ASP A 711 10.663 -9.130 28.616 1.00 25.07 C ATOM 818 CG ASP A 711 10.354 -10.079 29.748 1.00 41.79 C ATOM 819 OD1 ASP A 711 9.309 -10.759 29.678 1.00 39.84 O ATOM 820 OD2 ASP A 711 11.159 -10.149 30.701 1.00 42.15 O ATOM 821 H ASP A 711 10.639 -7.387 26.684 1.00 0.00 H ATOM 822 N THR A 712 7.218 -7.879 27.932 1.00 19.12 N ATOM 823 CA THR A 712 6.059 -7.335 28.625 1.00 19.18 C ATOM 824 C THR A 712 4.811 -8.048 28.145 1.00 18.80 C ATOM 825 O THR A 712 4.764 -8.587 27.035 1.00 18.35 O ATOM 826 CB THR A 712 5.866 -5.831 28.392 1.00 18.96 C ATOM 827 OG1 THR A 712 5.743 -5.572 26.986 1.00 19.57 O ATOM 828 CG2 THR A 712 7.016 -5.019 28.988 1.00 24.05 C ATOM 829 HG1 THR A 712 6.564 -5.874 26.523 1.00 0.00 H ATOM 830 H THR A 712 7.147 -8.111 26.921 1.00 0.00 H ATOM 831 N ILE A 713 3.783 -8.003 28.994 1.00 20.69 N ATOM 832 CA ILE A 713 2.482 -8.542 28.614 1.00 18.75 C ATOM 833 C ILE A 713 1.953 -7.813 27.381 1.00 18.10 C ATOM 834 O ILE A 713 1.405 -8.441 26.472 1.00 17.72 O ATOM 835 CB ILE A 713 1.508 -8.479 29.810 1.00 21.00 C ATOM 836 CG1 ILE A 713 0.198 -9.204 29.494 1.00 23.02 C ATOM 837 CG2 ILE A 713 1.250 -7.042 30.237 1.00 26.32 C ATOM 838 CD1 ILE A 713 -0.581 -9.567 30.760 1.00 23.62 C ATOM 839 H ILE A 713 3.910 -7.580 29.935 1.00 0.00 H ATOM 840 N PHE A 714 2.174 -6.494 27.291 1.00 17.99 N ATOM 841 CA PHE A 714 1.619 -5.736 26.167 1.00 17.44 C ATOM 842 C PHE A 714 2.273 -6.135 24.853 1.00 17.00 C ATOM 843 O PHE A 714 1.579 -6.401 23.867 1.00 16.59 O ATOM 844 CB PHE A 714 1.749 -4.234 26.410 1.00 17.51 C ATOM 845 CG PHE A 714 0.955 -3.758 27.596 1.00 19.54 C ATOM 846 CD1 PHE A 714 -0.218 -4.402 27.947 1.00 22.75 C ATOM 847 CD2 PHE A 714 1.377 -2.683 28.355 1.00 19.74 C ATOM 848 CE1 PHE A 714 -0.953 -3.995 29.048 1.00 23.29 C ATOM 849 CE2 PHE A 714 0.644 -2.280 29.463 1.00 22.79 C ATOM 850 CZ PHE A 714 -0.525 -2.923 29.785 1.00 18.81 C ATOM 851 H PHE A 714 2.738 -6.010 28.018 1.00 0.00 H ATOM 852 N TYR A 715 3.607 -6.175 24.817 1.00 17.13 N ATOM 853 CA TYR A 715 4.290 -6.569 23.591 1.00 16.77 C ATOM 854 C TYR A 715 3.862 -7.960 23.146 1.00 16.65 C ATOM 855 O TYR A 715 3.612 -8.193 21.959 1.00 16.23 O ATOM 856 CB TYR A 715 5.813 -6.505 23.806 1.00 17.07 C ATOM 857 CG TYR A 715 6.655 -6.564 22.530 1.00 16.74 C ATOM 858 CD1 TYR A 715 7.224 -5.413 21.994 1.00 16.61 C ATOM 859 CD2 TYR A 715 6.883 -7.772 21.898 1.00 16.64 C ATOM 860 CE1 TYR A 715 8.000 -5.470 20.827 1.00 16.37 C ATOM 861 CE2 TYR A 715 7.643 -7.849 20.754 1.00 16.40 C ATOM 862 CZ TYR A 715 8.203 -6.693 20.227 1.00 16.26 C ATOM 863 OH TYR A 715 8.960 -6.789 19.085 1.00 16.07 O ATOM 864 HH TYR A 715 8.405 -7.157 18.352 1.00 0.00 H ATOM 865 H TYR A 715 4.158 -5.925 25.663 1.00 0.00 H ATOM 866 N ARG A 716 3.816 -8.913 24.080 1.00 17.06 N ATOM 867 CA ARG A 716 3.440 -10.274 23.719 1.00 17.03 C ATOM 868 C ARG A 716 2.010 -10.320 23.206 1.00 16.72 C ATOM 869 O ARG A 716 1.709 -11.050 22.255 1.00 16.46 O ATOM 870 CB ARG A 716 3.607 -11.212 24.918 1.00 17.62 C ATOM 871 CG ARG A 716 5.062 -11.564 25.230 1.00 18.80 C ATOM 872 CD ARG A 716 5.151 -12.583 26.378 1.00 20.33 C ATOM 873 NE ARG A 716 4.861 -11.961 27.667 1.00 26.16 N ATOM 874 CZ ARG A 716 5.792 -11.487 28.489 1.00 33.72 C ATOM 875 NH1 ARG A 716 7.074 -11.568 28.156 1.00 37.08 N ATOM 876 NH2 ARG A 716 5.446 -10.922 29.635 1.00 32.64 N ATOM 877 HE ARG A 716 3.866 -11.884 27.960 1.00 0.00 H ATOM 878 HH12 ARG A 716 7.803 -11.197 28.799 1.00 0.00 H ATOM 879 HH11 ARG A 716 7.350 -12.002 27.252 1.00 0.00 H ATOM 880 HH22 ARG A 716 6.178 -10.553 30.275 1.00 0.00 H ATOM 881 HH21 ARG A 716 4.442 -10.847 29.896 1.00 0.00 H ATOM 882 H ARG A 716 4.049 -8.684 25.067 1.00 0.00 H ATOM 883 N ALA A 717 1.123 -9.521 23.805 1.00 16.78 N ATOM 884 CA ALA A 717 -0.260 -9.478 23.347 1.00 16.55 C ATOM 885 C ALA A 717 -0.376 -8.838 21.970 1.00 16.02 C ATOM 886 O ALA A 717 -1.238 -9.223 21.175 1.00 16.31 O ATOM 887 CB ALA A 717 -1.119 -8.718 24.358 1.00 16.81 C ATOM 888 H ALA A 717 1.421 -8.925 24.604 1.00 0.00 H ATOM 889 N ALA A 718 0.450 -7.835 21.685 1.00 15.87 N ATOM 890 CA ALA A 718 0.386 -7.209 20.369 1.00 15.42 C ATOM 891 C ALA A 718 0.861 -8.165 19.288 1.00 15.20 C ATOM 892 O ALA A 718 0.315 -8.175 18.181 1.00 15.23 O ATOM 893 CB ALA A 718 1.201 -5.919 20.361 1.00 15.38 C ATOM 894 H ALA A 718 1.134 -7.501 22.393 1.00 0.00 H ATOM 895 N VAL A 719 1.893 -8.962 19.581 1.00 15.41 N ATOM 896 CA VAL A 719 2.352 -9.964 18.620 1.00 15.28 C ATOM 897 C VAL A 719 1.246 -10.971 18.342 1.00 15.26 C ATOM 898 O VAL A 719 0.982 -11.322 17.190 1.00 15.94 O ATOM 899 CB VAL A 719 3.632 -10.653 19.133 1.00 15.61 C ATOM 900 CG1 VAL A 719 3.998 -11.836 18.245 1.00 19.16 C ATOM 901 CG2 VAL A 719 4.750 -9.653 19.172 1.00 18.16 C ATOM 902 H VAL A 719 2.373 -8.869 20.499 1.00 0.00 H ATOM 903 N ARG A 720 0.566 -11.444 19.392 1.00 15.83 N ATOM 904 CA ARG A 720 -0.503 -12.416 19.166 1.00 15.64 C ATOM 905 C ARG A 720 -1.665 -11.793 18.402 1.00 15.35 C ATOM 906 O ARG A 720 -2.298 -12.460 17.577 1.00 18.52 O ATOM 907 CB ARG A 720 -0.975 -13.007 20.494 1.00 18.17 C ATOM 908 CG ARG A 720 0.065 -13.900 21.153 1.00 28.80 C ATOM 909 CD ARG A 720 -0.533 -14.709 22.278 1.00 42.33 C ATOM 910 NE ARG A 720 -1.316 -13.862 23.163 1.00 44.11 N ATOM 911 CZ ARG A 720 -0.860 -13.373 24.309 1.00 55.28 C ATOM 912 NH1 ARG A 720 0.373 -13.655 24.703 1.00 52.55 N ATOM 913 NH2 ARG A 720 -1.635 -12.606 25.058 1.00 58.27 N ATOM 914 HE ARG A 720 -2.289 -13.626 22.882 1.00 0.00 H ATOM 915 HH12 ARG A 720 0.732 -13.273 25.601 1.00 0.00 H ATOM 916 HH11 ARG A 720 0.982 -14.259 24.114 1.00 0.00 H ATOM 917 HH22 ARG A 720 -1.276 -12.223 25.956 1.00 0.00 H ATOM 918 HH21 ARG A 720 -2.603 -12.386 24.749 1.00 0.00 H ATOM 919 H ARG A 720 0.794 -11.125 20.355 1.00 0.00 H ATOM 920 N LEU A 721 -1.958 -10.516 18.658 1.00 15.92 N ATOM 921 CA LEU A 721 -3.034 -9.846 17.941 1.00 15.03 C ATOM 922 C LEU A 721 -2.679 -9.667 16.471 1.00 14.66 C ATOM 923 O LEU A 721 -3.542 -9.835 15.601 1.00 15.95 O ATOM 924 CB LEU A 721 -3.347 -8.501 18.598 1.00 15.06 C ATOM 925 CG LEU A 721 -4.499 -7.705 17.961 1.00 14.91 C ATOM 926 CD1 LEU A 721 -5.847 -8.396 18.052 1.00 17.23 C ATOM 927 CD2 LEU A 721 -4.571 -6.298 18.525 1.00 18.10 C ATOM 928 H LEU A 721 -1.414 -9.996 19.375 1.00 0.00 H ATOM 929 N ARG A 722 -1.411 -9.352 16.179 1.00 15.26 N ATOM 930 CA ARG A 722 -0.959 -9.281 14.791 1.00 15.07 C ATOM 931 C ARG A 722 -1.151 -10.614 14.078 1.00 14.76 C ATOM 932 O ARG A 722 -1.639 -10.654 12.940 1.00 17.93 O ATOM 933 CB ARG A 722 0.516 -8.866 14.729 1.00 17.00 C ATOM 934 CG ARG A 722 1.066 -8.748 13.289 1.00 13.94 C ATOM 935 CD ARG A 722 2.551 -8.366 13.293 1.00 18.53 C ATOM 936 NE ARG A 722 3.373 -9.445 13.843 1.00 16.08 N ATOM 937 CZ ARG A 722 4.550 -9.273 14.439 1.00 15.24 C ATOM 938 NH1 ARG A 722 5.063 -8.060 14.590 1.00 19.18 N ATOM 939 NH2 ARG A 722 5.202 -10.328 14.902 1.00 21.22 N ATOM 940 HE ARG A 722 3.011 -10.417 13.762 1.00 0.00 H ATOM 941 HH12 ARG A 722 5.984 -7.939 15.058 1.00 0.00 H ATOM 942 HH11 ARG A 722 4.544 -7.229 14.241 1.00 0.00 H ATOM 943 HH22 ARG A 722 6.123 -10.206 15.370 1.00 0.00 H ATOM 944 HH21 ARG A 722 4.793 -11.279 14.798 1.00 0.00 H ATOM 945 H ARG A 722 -0.740 -9.156 16.949 1.00 0.00 H ATOM 946 N GLU A 723 -0.769 -11.713 14.725 1.00 16.49 N ATOM 947 CA GLU A 723 -0.900 -13.024 14.093 1.00 18.25 C ATOM 948 C GLU A 723 -2.361 -13.416 13.902 1.00 20.73 C ATOM 949 O GLU A 723 -2.764 -13.835 12.811 1.00 24.57 O ATOM 950 CB GLU A 723 -0.179 -14.075 14.931 1.00 22.71 C ATOM 951 H GLU A 723 -0.375 -11.638 15.685 1.00 0.00 H ATOM 952 N GLN A 724 -3.164 -13.319 14.961 1.00 17.07 N ATOM 953 CA GLN A 724 -4.556 -13.740 14.870 1.00 15.90 C ATOM 954 C GLN A 724 -5.375 -12.781 14.019 1.00 19.45 C ATOM 955 O GLN A 724 -6.306 -13.208 13.328 1.00 23.86 O ATOM 956 CB GLN A 724 -5.159 -13.869 16.277 1.00 18.67 C ATOM 957 CG GLN A 724 -4.407 -14.818 17.212 1.00 24.59 C ATOM 958 CD GLN A 724 -4.923 -14.746 18.641 1.00 22.13 C ATOM 959 OE1 GLN A 724 -4.148 -14.630 19.589 1.00 43.54 O ATOM 960 NE2 GLN A 724 -6.230 -14.785 18.793 1.00 29.08 N ATOM 961 HE22 GLN A 724 -6.847 -14.884 17.962 1.00 0.00 H ATOM 962 HE21 GLN A 724 -6.645 -14.717 19.744 1.00 0.00 H ATOM 963 H GLN A 724 -2.795 -12.941 15.857 1.00 0.00 H ATOM 964 N GLY A 725 -5.030 -11.492 14.026 1.00 17.40 N ATOM 965 CA GLY A 725 -5.776 -10.529 13.235 1.00 21.26 C ATOM 966 C GLY A 725 -5.480 -10.613 11.752 1.00 20.14 C ATOM 967 O GLY A 725 -6.359 -10.354 10.925 1.00 19.47 O ATOM 968 H GLY A 725 -4.223 -11.175 14.601 1.00 0.00 H ATOM 969 N GLY A 726 -4.248 -10.969 11.392 1.00 24.23 N ATOM 970 CA GLY A 726 -3.912 -11.089 9.982 1.00 23.28 C ATOM 971 C GLY A 726 -4.849 -12.014 9.229 1.00 22.66 C ATOM 972 O GLY A 726 -5.257 -11.721 8.105 1.00 20.64 O ATOM 973 H GLY A 726 -3.528 -11.161 12.118 1.00 0.00 H ATOM 974 N ALA A 727 -5.213 -13.142 9.837 1.00 23.46 N ATOM 975 CA ALA A 727 -6.122 -14.053 9.155 1.00 23.08 C ATOM 976 C ALA A 727 -7.505 -13.429 9.006 1.00 21.06 C ATOM 977 O ALA A 727 -8.169 -13.604 7.978 1.00 21.35 O ATOM 978 CB ALA A 727 -6.202 -15.380 9.909 1.00 44.57 C ATOM 979 H ALA A 727 -4.853 -13.369 10.786 1.00 0.00 H ATOM 980 N VAL A 728 -7.956 -12.701 10.032 1.00 20.24 N ATOM 981 CA VAL A 728 -9.247 -12.023 9.947 1.00 17.28 C ATOM 982 C VAL A 728 -9.234 -11.005 8.816 1.00 14.82 C ATOM 983 O VAL A 728 -10.177 -10.921 8.027 1.00 16.43 O ATOM 984 CB VAL A 728 -9.593 -11.360 11.296 1.00 20.28 C ATOM 985 CG1 VAL A 728 -10.815 -10.477 11.145 1.00 19.39 C ATOM 986 CG2 VAL A 728 -9.840 -12.409 12.382 1.00 22.23 C ATOM 987 H VAL A 728 -7.384 -12.617 10.897 1.00 0.00 H ATOM 988 N LEU A 729 -8.163 -10.220 8.726 1.00 17.44 N ATOM 989 CA LEU A 729 -8.077 -9.177 7.713 1.00 14.46 C ATOM 990 C LEU A 729 -7.917 -9.740 6.315 1.00 17.54 C ATOM 991 O LEU A 729 -8.390 -9.130 5.353 1.00 17.81 O ATOM 992 CB LEU A 729 -6.909 -8.249 8.016 1.00 15.08 C ATOM 993 CG LEU A 729 -7.102 -7.375 9.254 1.00 17.08 C ATOM 994 CD1 LEU A 729 -5.729 -6.933 9.733 1.00 24.36 C ATOM 995 CD2 LEU A 729 -7.962 -6.165 8.923 1.00 16.30 C ATOM 996 H LEU A 729 -7.374 -10.354 9.390 1.00 0.00 H ATOM 997 N ARG A 730 -7.231 -10.873 6.179 1.00 16.97 N ATOM 998 CA ARG A 730 -7.056 -11.477 4.863 1.00 23.10 C ATOM 999 C ARG A 730 -8.400 -11.921 4.294 1.00 20.78 C ATOM 1000 O ARG A 730 -8.740 -11.605 3.148 1.00 19.85 O ATOM 1001 CB ARG A 730 -6.065 -12.639 4.973 1.00 26.40 C ATOM 1002 CG ARG A 730 -6.325 -13.802 4.046 1.00 40.00 C ATOM 1003 CD ARG A 730 -5.136 -14.757 3.973 1.00 31.68 C ATOM 1004 NE ARG A 730 -5.198 -15.636 2.804 1.00 34.49 N ATOM 1005 CZ ARG A 730 -4.171 -15.901 1.996 1.00 41.75 C ATOM 1006 NH1 ARG A 730 -2.981 -15.355 2.212 1.00 32.00 N ATOM 1007 NH2 ARG A 730 -4.336 -16.713 0.961 1.00 49.30 N ATOM 1008 HE ARG A 730 -6.110 -16.087 2.588 1.00 0.00 H ATOM 1009 HH12 ARG A 730 -2.187 -15.569 1.575 1.00 0.00 H ATOM 1010 HH11 ARG A 730 -2.842 -14.713 3.018 1.00 0.00 H ATOM 1011 HH22 ARG A 730 -3.536 -16.920 0.330 1.00 0.00 H ATOM 1012 HH21 ARG A 730 -5.266 -17.142 0.780 1.00 0.00 H ATOM 1013 H ARG A 730 -6.817 -11.330 7.016 1.00 0.00 H ATOM 1014 N GLN A 731 -9.207 -12.617 5.102 1.00 21.93 N ATOM 1015 CA GLN A 731 -10.512 -13.051 4.622 1.00 23.87 C ATOM 1016 C GLN A 731 -11.429 -11.859 4.371 1.00 17.43 C ATOM 1017 O GLN A 731 -12.160 -11.824 3.379 1.00 24.20 O ATOM 1018 CB GLN A 731 -11.132 -14.020 5.627 1.00 31.31 C ATOM 1019 CG GLN A 731 -12.067 -15.046 5.010 1.00 44.69 C ATOM 1020 H GLN A 731 -8.904 -12.848 6.070 1.00 0.00 H ATOM 1021 N ALA A 732 -11.375 -10.851 5.246 1.00 18.24 N ATOM 1022 CA ALA A 732 -12.266 -9.703 5.099 1.00 19.25 C ATOM 1023 C ALA A 732 -11.887 -8.855 3.893 1.00 20.88 C ATOM 1024 O ALA A 732 -12.756 -8.330 3.197 1.00 19.47 O ATOM 1025 CB ALA A 732 -12.250 -8.854 6.372 1.00 16.69 C ATOM 1026 H ALA A 732 -10.697 -10.884 6.034 1.00 0.00 H ATOM 1027 N ARG A 733 -10.591 -8.684 3.639 1.00 16.19 N ATOM 1028 CA ARG A 733 -10.197 -7.932 2.456 1.00 17.72 C ATOM 1029 C ARG A 733 -10.618 -8.640 1.178 1.00 22.41 C ATOM 1030 O ARG A 733 -10.982 -7.981 0.197 1.00 21.11 O ATOM 1031 CB ARG A 733 -8.691 -7.694 2.450 1.00 16.37 C ATOM 1032 CG ARG A 733 -8.261 -6.880 1.228 1.00 20.33 C ATOM 1033 CD ARG A 733 -6.779 -6.751 1.109 1.00 19.22 C ATOM 1034 NE ARG A 733 -6.260 -5.728 2.006 1.00 21.97 N ATOM 1035 CZ ARG A 733 -6.418 -4.419 1.835 1.00 17.94 C ATOM 1036 NH1 ARG A 733 -7.089 -3.927 0.793 1.00 21.04 N ATOM 1037 NH2 ARG A 733 -5.882 -3.591 2.709 1.00 16.02 N ATOM 1038 HE ARG A 733 -5.727 -6.044 2.841 1.00 0.00 H ATOM 1039 HH12 ARG A 733 -7.198 -2.899 0.683 1.00 0.00 H ATOM 1040 HH11 ARG A 733 -7.504 -4.572 0.090 1.00 0.00 H ATOM 1041 HH22 ARG A 733 -5.996 -2.564 2.590 1.00 0.00 H ATOM 1042 HH21 ARG A 733 -5.345 -3.964 3.518 1.00 0.00 H ATOM 1043 H ARG A 733 -9.871 -9.081 4.276 1.00 0.00 H ATOM 1044 N ARG A 734 -10.599 -9.972 1.170 1.00 21.00 N ATOM 1045 CA ARG A 734 -11.067 -10.693 -0.010 1.00 20.84 C ATOM 1046 C ARG A 734 -12.553 -10.466 -0.261 1.00 23.89 C ATOM 1047 O ARG A 734 -13.014 -10.671 -1.387 1.00 28.00 O ATOM 1048 CB ARG A 734 -10.743 -12.186 0.127 1.00 20.84 C ATOM 1049 CG ARG A 734 -9.274 -12.515 -0.204 1.00 26.99 C ATOM 1050 CD ARG A 734 -9.040 -13.993 -0.508 1.00 43.74 C ATOM 1051 NE ARG A 734 -7.638 -14.245 -0.854 1.00 50.90 N ATOM 1052 CZ ARG A 734 -7.155 -15.409 -1.286 1.00 51.36 C ATOM 1053 NH1 ARG A 734 -5.860 -15.520 -1.564 1.00 41.77 N ATOM 1054 NH2 ARG A 734 -7.950 -16.464 -1.408 1.00 48.33 N ATOM 1055 HE ARG A 734 -6.969 -13.455 -0.755 1.00 0.00 H ATOM 1056 HH12 ARG A 734 -5.476 -16.426 -1.902 1.00 0.00 H ATOM 1057 HH11 ARG A 734 -5.230 -14.701 -1.444 1.00 0.00 H ATOM 1058 HH22 ARG A 734 -7.565 -17.369 -1.746 1.00 0.00 H ATOM 1059 HH21 ARG A 734 -8.958 -16.386 -1.166 1.00 0.00 H ATOM 1060 H ARG A 734 -10.253 -10.495 1.999 1.00 0.00 H ATOM 1061 N GLN A 735 -13.307 -10.054 0.761 1.00 27.71 N ATOM 1062 CA GLN A 735 -14.717 -9.715 0.582 1.00 26.57 C ATOM 1063 C GLN A 735 -14.882 -8.328 -0.023 1.00 29.20 C ATOM 1064 O GLN A 735 -15.651 -8.141 -0.973 1.00 33.03 O ATOM 1065 CB GLN A 735 -15.445 -9.779 1.925 1.00 26.52 C ATOM 1066 CG GLN A 735 -16.130 -11.092 2.227 1.00 28.63 C ATOM 1067 CD GLN A 735 -16.973 -11.008 3.482 1.00 25.25 C ATOM 1068 OE1 GLN A 735 -18.115 -10.547 3.448 1.00 24.20 O ATOM 1069 NE2 GLN A 735 -16.404 -11.433 4.603 1.00 26.78 N ATOM 1070 HE22 GLN A 735 -15.437 -11.815 4.583 1.00 0.00 H ATOM 1071 HE21 GLN A 735 -16.925 -11.384 5.502 1.00 0.00 H ATOM 1072 H GLN A 735 -12.881 -9.972 1.706 1.00 0.00 H ATOM 1073 N ALA A 736 -14.173 -7.341 0.529 1.00 22.71 N ATOM 1074 CA ALA A 736 -14.337 -5.957 0.097 1.00 27.08 C ATOM 1075 C ALA A 736 -13.875 -5.748 -1.337 1.00 42.38 C ATOM 1076 O ALA A 736 -14.376 -4.850 -2.024 1.00 47.42 O ATOM 1077 CB ALA A 736 -13.567 -5.020 1.025 1.00 29.15 C ATOM 1078 H ALA A 736 -13.490 -7.563 1.282 1.00 0.00 H ATOM 1079 N GLU A 737 -12.925 -6.557 -1.804 1.00 33.17 N ATOM 1080 CA GLU A 737 -12.405 -6.356 -3.151 1.00 33.24 C ATOM 1081 C GLU A 737 -13.379 -6.843 -4.219 1.00 48.88 C ATOM 1082 O GLU A 737 -13.534 -6.186 -5.254 1.00 52.87 O ATOM 1083 CB GLU A 737 -11.056 -7.051 -3.295 1.00 27.33 C ATOM 1084 H GLU A 737 -12.556 -7.328 -1.211 1.00 0.00 H ATOM 1085 N LYS A 738 -14.032 -7.989 -3.997 1.00 50.02 N ATOM 1086 CA LYS A 738 -15.037 -8.472 -4.935 1.00 53.85 C ATOM 1087 C LYS A 738 -16.402 -7.850 -4.694 1.00 57.46 C ATOM 1088 O LYS A 738 -17.391 -8.305 -5.284 1.00 56.34 O ATOM 1089 CB LYS A 738 -15.133 -9.997 -4.895 1.00 45.78 C ATOM 1090 CG LYS A 738 -15.833 -10.568 -3.680 1.00 30.04 C ATOM 1091 CD LYS A 738 -15.634 -12.073 -3.585 1.00 33.94 C ATOM 1092 H LYS A 738 -13.819 -8.543 -3.143 1.00 0.00 H ATOM 1093 N MET A 739 -16.467 -6.820 -3.854 1.00 54.16 N ATOM 1094 CA MET A 739 -17.687 -6.072 -3.612 1.00 56.67 C ATOM 1095 C MET A 739 -18.034 -5.277 -4.856 1.00 53.08 C ATOM 1096 O MET A 739 -17.149 -4.684 -5.471 1.00 50.62 O ATOM 1097 CB MET A 739 -17.516 -5.143 -2.405 1.00 50.89 C ATOM 1098 CG MET A 739 -18.705 -5.095 -1.466 1.00 43.07 C ATOM 1099 SD MET A 739 -18.265 -4.482 0.173 1.00 39.87 S ATOM 1100 CE MET A 739 -18.785 -5.865 1.168 1.00 22.14 C ATOM 1101 H MET A 739 -15.604 -6.538 -3.347 1.00 0.00 H TER 1102 MET A 739 HETATM 1103 O HOH 1 -6.492 -14.707 1.417 1.00 54.15 O HETATM 1104 O HOH 2 -19.878 6.461 16.885 1.00 33.31 O HETATM 1105 O HOH 3 -11.547 -7.783 23.159 1.00 22.64 O HETATM 1106 O HOH 4 -14.505 -1.009 19.935 1.00 35.05 O HETATM 1107 O HOH 5 -19.674 -5.738 18.864 1.00 46.50 O HETATM 1108 O HOH 6 -10.810 1.311 29.660 1.00 51.46 O HETATM 1109 O HOH 7 -25.729 4.129 5.381 1.00 41.41 O HETATM 1110 O HOH 8 -9.357 -17.791 16.310 1.00 41.46 O HETATM 1111 O HOH 9 -14.378 13.043 10.668 1.00 53.18 O HETATM 1112 O HOH 10 -7.655 -15.130 13.188 1.00 35.00 O HETATM 1113 O HOH 11 -4.148 5.427 6.032 1.00 39.75 O HETATM 1114 O HOH 12 -4.609 0.888 33.506 1.00 40.58 O HETATM 1115 O HOH 13 -17.090 -10.996 6.836 1.00 46.25 O HETATM 1116 O HOH 14 -15.046 -7.868 27.049 1.00 54.39 O HETATM 1117 O HOH 15 -0.969 -6.278 11.539 1.00 37.31 O HETATM 1118 O HOH 16 8.931 5.294 27.714 1.00 39.56 O HETATM 1119 O HOH 17 0.601 1.061 22.502 1.00 17.22 O HETATM 1120 O HOH 18 -5.303 -13.330 23.754 1.00 46.32 O HETATM 1121 O HOH 19 -4.938 -11.848 20.207 1.00 33.86 O HETATM 1122 O HOH 20 -7.127 6.895 11.204 1.00 28.98 O HETATM 1123 O HOH 21 -0.640 -1.696 6.807 1.00 31.21 O HETATM 1124 O HOH 22 -16.635 9.964 4.555 1.00 34.49 O HETATM 1125 O HOH 23 7.535 -10.354 15.850 1.00 35.11 O HETATM 1126 O HOH 24 1.841 0.756 11.788 1.00 20.50 O HETATM 1127 O HOH 25 -2.525 -6.016 3.881 1.00 33.84 O HETATM 1128 O HOH 26 -3.696 -10.349 6.584 1.00 29.12 O HETATM 1129 O HOH 27 -21.706 -12.397 7.445 1.00 34.50 O HETATM 1130 O HOH 28 -11.411 -12.611 27.681 1.00 35.62 O HETATM 1131 O HOH 29 -5.491 -9.370 24.604 1.00 22.89 O HETATM 1132 O HOH 30 -7.598 -15.369 20.941 1.00 28.80 O HETATM 1133 O HOH 31 -9.619 -1.877 28.209 1.00 36.30 O HETATM 1134 O HOH 32 -10.720 -5.333 22.648 1.00 24.20 O HETATM 1135 O HOH 33 -17.156 -2.069 -5.601 1.00 43.68 O HETATM 1136 O HOH 34 -14.724 -15.303 18.859 1.00 43.19 O HETATM 1137 O HOH 35 -11.557 -6.753 -6.893 1.00 52.38 O HETATM 1138 O HOH 36 -2.340 -0.433 3.170 1.00 23.89 O HETATM 1139 O HOH 37 -5.755 5.710 20.847 1.00 17.41 O HETATM 1140 O HOH 38 -8.106 5.774 27.804 1.00 30.70 O HETATM 1141 O HOH 39 -8.558 -4.977 30.157 1.00 28.79 O HETATM 1142 O HOH 40 -17.982 -10.615 -0.722 1.00 36.51 O HETATM 1143 O HOH 41 -7.181 2.020 27.818 1.00 23.21 O HETATM 1144 O HOH 42 -4.105 -1.105 -0.980 1.00 28.17 O HETATM 1145 O HOH 43 -18.946 3.889 20.443 1.00 55.45 O HETATM 1146 O HOH 44 2.103 11.481 26.347 1.00 48.87 O HETATM 1147 O HOH 45 -12.494 -13.225 15.699 1.00 27.70 O HETATM 1148 O HOH 46 8.603 -12.366 26.098 1.00 37.46 O HETATM 1149 O HOH 47 8.397 0.949 27.668 1.00 41.66 O HETATM 1150 O HOH 48 -8.606 -0.586 0.046 1.00 25.75 O HETATM 1151 O HOH 49 8.299 -10.940 23.573 1.00 32.36 O HETATM 1152 O HOH 50 -12.755 -0.796 27.712 1.00 39.27 O HETATM 1153 O HOH 51 -7.977 7.649 2.038 1.00 26.25 O HETATM 1154 O HOH 52 -3.392 4.797 10.166 1.00 20.02 O HETATM 1155 O HOH 53 -18.722 12.127 9.941 1.00 38.55 O HETATM 1156 O HOH 54 4.556 -12.921 14.490 1.00 33.39 O HETATM 1157 O HOH 55 -5.695 -7.688 4.149 1.00 29.38 O HETATM 1158 O HOH 56 -11.444 6.222 3.770 1.00 26.27 O HETATM 1159 O HOH 57 -15.349 -9.742 8.395 1.00 20.60 O HETATM 1160 O HOH 58 3.641 2.682 15.116 1.00 20.03 O HETATM 1161 O HOH 59 -13.611 -0.786 22.445 1.00 28.20 O HETATM 1162 O HOH 60 -1.790 3.344 20.537 1.00 15.94 O HETATM 1163 O HOH 61 -4.981 0.424 24.504 1.00 17.28 O HETATM 1164 O HOH 62 -12.399 -12.324 23.437 1.00 32.78 O HETATM 1165 O HOH 63 -4.151 0.501 21.752 1.00 16.66 O HETATM 1166 O HOH 64 -15.912 -8.367 19.442 1.00 31.62 O HETATM 1167 O HOH 65 2.787 12.342 19.717 1.00 33.44 O HETATM 1168 O HOH 66 -5.814 -18.662 -0.318 1.00 59.21 O HETATM 1169 O HOH 67 -0.306 1.431 10.099 1.00 16.78 O HETATM 1170 O HOH 68 -16.154 4.445 7.960 1.00 18.08 O HETATM 1171 O HOH 69 2.168 6.161 15.734 1.00 18.47 O HETATM 1172 O HOH 70 -21.701 -6.647 3.968 1.00 26.42 O HETATM 1173 O HOH 71 -17.151 -14.422 12.831 1.00 48.56 O HETATM 1174 O HOH 72 -18.298 8.538 15.425 1.00 24.46 O HETATM 1175 O HOH 73 -1.558 0.436 20.780 1.00 15.57 O HETATM 1176 O HOH 74 2.588 -12.270 15.069 1.00 42.24 O HETATM 1177 O HOH 75 0.188 2.297 3.818 1.00 26.54 O HETATM 1178 O HOH 76 -3.757 -10.213 22.024 1.00 25.87 O HETATM 1179 O HOH 77 -19.542 2.626 1.890 1.00 23.16 O HETATM 1180 O HOH 78 -16.996 2.717 0.584 1.00 25.39 O HETATM 1181 O HOH 79 2.394 -15.525 25.414 1.00 44.08 O HETATM 1182 O HOH 80 -12.596 -12.349 8.493 1.00 25.11 O HETATM 1183 O HOH 81 -3.336 7.028 23.921 1.00 21.29 O HETATM 1184 O HOH 82 -17.948 -3.219 15.031 1.00 29.57 O HETATM 1185 O HOH 83 -16.639 12.809 11.034 1.00 44.79 O HETATM 1186 O HOH 84 -8.262 -4.874 -1.640 1.00 28.19 O HETATM 1187 O HOH 85 4.869 -5.704 12.960 1.00 25.33 O HETATM 1188 O HOH 86 -4.071 -11.293 24.282 1.00 45.64 O HETATM 1189 O HOH 87 -1.238 -8.784 10.787 1.00 36.16 O HETATM 1190 O HOH 88 -26.412 3.841 1.992 1.00 40.61 O HETATM 1191 O HOH 89 9.188 3.576 24.931 1.00 34.64 O HETATM 1192 O HOH 90 -13.158 8.498 4.701 1.00 30.07 O HETATM 1193 O HOH 91 -16.506 -13.671 8.415 1.00 32.78 O HETATM 1194 O HOH 92 0.487 -11.256 26.544 1.00 33.21 O HETATM 1195 O HOH 93 -8.231 8.566 13.577 1.00 27.43 O HETATM 1196 O HOH 94 -11.821 -3.804 -5.230 1.00 42.31 O HETATM 1197 O HOH 95 -5.699 9.204 30.921 1.00 35.09 O HETATM 1198 O HOH 96 -12.780 -4.901 29.506 1.00 30.30 O HETATM 1199 O HOH 97 -20.954 -2.070 14.671 1.00 31.34 O HETATM 1200 O HOH 98 -2.407 -7.345 10.203 1.00 37.36 O HETATM 1201 O HOH 99 10.526 10.627 27.318 1.00 50.15 O HETATM 1202 O HOH 100 8.184 -1.591 28.617 1.00 24.48 O HETATM 1203 O HOH 101 -0.357 4.227 7.313 1.00 31.79 O HETATM 1204 O HOH 102 8.321 -9.300 17.657 1.00 24.35 O HETATM 1205 O HOH 103 7.031 -9.061 31.885 1.00 39.53 O HETATM 1206 O HOH 104 -11.550 -16.482 13.572 1.00 39.50 O HETATM 1207 O HOH 105 1.809 14.250 29.092 1.00 37.40 O HETATM 1208 O HOH 106 10.976 0.840 19.846 1.00 36.83 O HETATM 1209 O HOH 107 -11.239 -11.804 -3.493 1.00 31.56 O HETATM 1210 O HOH 108 -3.747 4.611 22.291 1.00 18.13 O HETATM 1211 O HOH 109 -7.834 -0.466 26.708 1.00 21.09 O HETATM 1212 O HOH 110 -20.690 -0.814 -0.172 1.00 27.56 O HETATM 1213 O HOH 111 -17.203 -14.191 3.655 1.00 46.53 O HETATM 1214 O HOH 112 -2.228 -6.125 7.881 1.00 31.65 O HETATM 1215 O HOH 113 -18.390 10.896 19.256 1.00 44.71 O HETATM 1216 O HOH 114 4.494 -6.953 31.762 1.00 24.84 O HETATM 1217 O HOH 115 13.031 -4.960 24.874 1.00 21.02 O HETATM 1218 O HOH 116 -9.700 -5.076 -0.289 1.00 38.00 O HETATM 1219 O HOH 117 -11.299 -1.386 -0.368 1.00 35.66 O HETATM 1220 O HOH 118 -5.833 8.792 27.568 1.00 37.92 O HETATM 1221 O HOH 119 -10.354 -15.112 20.628 1.00 29.14 O HETATM 1222 O HOH 120 -6.338 -18.691 -2.760 1.00 51.40 O HETATM 1223 O HOH 121 -10.624 10.143 15.268 1.00 33.62 O HETATM 1224 O HOH 122 2.862 -4.925 29.850 1.00 42.02 O HETATM 1225 O HOH 123 -5.757 4.062 33.978 1.00 43.06 O HETATM 1226 O HOH 124 7.819 10.053 17.974 1.00 55.32 O HETATM 1227 O HOH 125 12.740 -6.880 26.831 1.00 27.43 O HETATM 1228 O HOH 126 -13.132 -3.693 28.079 1.00 58.12 O HETATM 1229 O HOH 127 -7.615 -17.766 -4.278 1.00 39.40 O HETATM 1230 O HOH 128 2.483 -12.181 12.490 1.00 37.21 O HETATM 1231 O HOH 129 13.281 -11.798 22.034 1.00 49.34 O HETATM 1232 O HOH 130 -0.382 -11.845 10.255 1.00 43.59 O HETATM 1233 O HOH 131 10.333 8.378 17.686 1.00 37.18 O HETATM 1234 O HOH 132 14.811 -10.609 21.687 1.00 32.34 O HETATM 1235 O HOH 133 0.120 -5.596 6.998 1.00 52.81 O HETATM 1236 O HOH 134 5.037 6.352 16.134 1.00 18.39 O HETATM 1237 O HOH 135 -6.319 -2.210 -1.944 1.00 29.19 O HETATM 1238 O HOH 136 2.115 -12.319 29.338 1.00 49.22 O HETATM 1239 O HOH 137 -13.759 -12.800 6.268 1.00 34.00 O HETATM 1240 O HOH 138 -16.802 -2.505 17.402 1.00 40.76 O HETATM 1241 O HOH 139 -13.813 -6.948 22.731 1.00 41.94 O HETATM 1242 O HOH 140 -11.522 -4.279 -6.985 1.00 38.44 O HETATM 1243 O HOH 141 -20.458 -10.379 6.287 1.00 41.64 O HETATM 1244 O HOH 142 8.004 -7.339 33.050 1.00 51.20 O HETATM 1245 O HOH 143 5.313 15.986 26.066 1.00 45.59 O HETATM 1246 O HOH 144 -6.460 -16.550 13.837 1.00 35.88 O HETATM 1247 O HOH 145 -22.370 -3.317 16.048 1.00 41.28 O HETATM 1248 O HOH 146 2.173 -2.432 10.247 1.00 34.76 O HETATM 1249 O HOH 147 -3.002 12.764 31.135 1.00 34.07 O HETATM 1250 O HOH 148 -11.668 5.782 -1.222 1.00 46.77 O HETATM 1251 O HOH 149 -13.877 -7.619 -8.460 1.00 45.71 O HETATM 1252 O HOH 150 10.816 -12.669 27.103 1.00 44.42 O HETATM 1253 O HOH 151 -18.888 -13.959 4.518 1.00 42.16 O HETATM 1254 O HOH 152 -5.519 11.572 30.626 1.00 43.02 O HETATM 1255 O HOH 153 2.411 0.225 34.236 1.00 52.33 O HETATM 1256 O HOH 154 5.347 15.252 22.330 1.00 38.49 O HETATM 1257 O HOH 155 -16.733 -5.793 19.508 1.00 39.70 O HETATM 1258 O HOH 156 -14.236 -0.408 29.018 1.00 46.09 O HETATM 1259 O HOH 157 -17.772 -2.970 20.103 1.00 55.69 O HETATM 1260 O HOH 158 -7.195 -12.447 -4.001 1.00 42.56 O HETATM 1261 O HOH 159 1.789 -14.893 17.349 1.00 42.00 O HETATM 1262 O HOH 160 -2.893 -15.387 8.045 1.00 43.93 O HETATM 1263 O HOH 161 -13.079 -14.414 13.087 1.00 29.38 O HETATM 1264 O HOH 162 1.544 1.568 35.465 1.00 55.61 O HETATM 1265 O HOH 163 -12.354 -14.112 10.341 1.00 32.55 O HETATM 1266 O HOH 164 0.219 0.089 8.002 1.00 25.07 O HETATM 1267 O HOH 165 3.395 1.393 32.408 1.00 59.75 O HETATM 1268 O HOH 166 -10.370 -3.060 29.988 1.00 35.10 O HETATM 1269 O HOH 167 -2.075 7.053 7.063 1.00 27.66 O HETATM 1270 O HOH 168 -9.683 -15.828 11.305 1.00 37.94 O HETATM 1271 O HOH 169 -11.140 -2.938 -1.293 1.00 34.13 O HETATM 1272 O HOH 170 4.532 -4.906 31.176 1.00 42.96 O HETATM 1273 O HOH 171 -14.879 -1.833 -6.819 1.00 43.21 O HETATM 1274 O HOH 172 -6.582 -16.749 25.743 1.00 23.25 O HETATM 1275 O HOH 173 -26.344 2.180 11.907 1.00 57.16 O HETATM 1276 O HOH 174 0.150 0.641 36.741 1.00 50.31 O HETATM 1277 O HOH 175 -12.580 -15.661 22.114 1.00 32.20 O HETATM 1278 O HOH 176 -0.721 4.143 9.811 1.00 25.27 O HETATM 1279 O HOH 177 -6.089 -16.147 23.145 1.00 27.58 O HETATM 1280 O HOH 178 -11.261 -14.779 -2.935 1.00 47.61 O HETATM 1281 O HOH 179 13.529 -9.479 26.027 1.00 27.81 O HETATM 1282 O HOH 180 1.449 -6.081 9.082 1.00 38.68 O HETATM 1283 O HOH 181 -1.145 -13.780 9.114 1.00 51.66 O HETATM 1284 O HOH 182 -2.414 -8.168 8.304 1.00 36.31 O HETATM 1285 O HOH 183 -4.087 -17.962 21.931 1.00 36.29 O HETATM 1286 O HOH 184 7.113 -12.734 17.585 1.00 46.02 O HETATM 1287 O HOH 185 -17.182 -1.444 21.511 1.00 55.87 O HETATM 1288 O HOH 186 10.784 -11.838 22.864 1.00 35.32 O HETATM 1289 O HOH 187 -19.803 -1.667 -4.509 1.00 50.01 O HETATM 1290 O HOH 188 6.183 -14.048 16.426 1.00 54.38 O HETATM 1291 O HOH 189 -17.287 4.892 -0.881 1.00 38.85 O HETATM 1292 O HOH 190 -9.345 -18.982 -4.414 1.00 48.15 O HETATM 1293 O HOH 191 6.148 7.180 13.663 1.00 42.45 O HETATM 1294 O HOH 192 4.054 -2.648 30.897 1.00 34.29 O HETATM 1295 O HOH 193 10.537 2.892 16.039 1.00 37.61 O HETATM 1296 O HOH 194 7.403 9.574 32.255 1.00 52.05 O HETATM 1297 O HOH 195 -6.490 8.442 21.230 1.00 25.49 O HETATM 1298 O HOH 196 -14.907 -0.616 24.888 1.00 42.60 O HETATM 1299 O HOH 197 2.094 6.756 12.996 1.00 20.16 O HETATM 1300 O HOH 198 -22.008 -14.204 5.384 1.00 36.25 O HETATM 1301 O HOH 199 0.726 -14.537 10.374 1.00 39.51 O HETATM 1302 O HOH 200 -7.991 3.072 30.413 1.00 32.83 O HETATM 1303 O HOH 201 -8.927 -10.833 -3.188 1.00 31.24 O HETATM 1304 O HOH 202 2.377 -15.412 19.303 1.00 37.47 O HETATM 1305 O HOH 203 2.742 15.533 22.794 1.00 37.62 O HETATM 1306 O HOH 204 9.352 9.270 32.220 1.00 52.37 O HETATM 1307 O HOH 205 12.401 -11.310 25.175 1.00 52.72 O HETATM 1308 O HOH 206 -6.934 9.607 15.890 1.00 28.79 O HETATM 1309 O HOH 207 13.565 -6.926 28.788 1.00 42.66 O HETATM 1310 O HOH 208 6.405 -11.824 21.896 1.00 29.88 O HETATM 1311 O HOH 209 -8.619 5.631 30.131 1.00 39.22 O HETATM 1312 O HOH 210 13.499 -2.979 25.421 1.00 29.67 O HETATM 1313 O HOH 211 -4.734 9.167 23.254 1.00 26.59 O HETATM 1314 O HOH 212 -19.176 9.750 3.377 1.00 35.60 O HETATM 1315 O HOH 213 3.737 -0.699 33.008 1.00 48.96 O HETATM 1316 O HOH 214 -5.262 -17.714 12.132 1.00 40.70 O HETATM 1317 O HOH 215 9.611 -2.536 30.548 1.00 25.42 O HETATM 1318 O HOH 216 5.296 -14.095 21.711 1.00 33.98 O HETATM 1319 O HOH 217 10.448 0.402 17.255 1.00 27.77 O HETATM 1320 O HOH 218 -11.639 -1.736 -4.399 1.00 47.27 O HETATM 1321 O HOH 219 -12.136 8.185 -0.477 1.00 34.94 O HETATM 1322 O HOH 220 7.731 -14.797 24.669 1.00 48.95 O HETATM 1323 O HOH 221 0.401 6.473 10.682 1.00 30.56 O HETATM 1324 O HOH 222 -1.075 -18.201 25.376 1.00 45.87 O HETATM 1325 O HOH 223 -21.077 -2.300 -2.412 1.00 36.81 O HETATM 1326 O HOH 224 -6.393 10.124 25.133 1.00 32.46 O HETATM 1327 O HOH 225 -7.988 6.456 37.724 1.00 46.78 O HETATM 1328 O HOH 226 15.020 9.131 21.971 1.00 41.29 O HETATM 1329 O HOH 227 -8.934 9.862 24.787 1.00 36.19 O HETATM 1330 O HOH 228 -13.555 8.443 29.560 1.00 50.63 O HETATM 1331 O HOH 229 -11.484 9.252 28.288 1.00 41.38 O HETATM 1332 O HOH 230 16.849 8.895 20.756 1.00 48.55 O HETATM 1333 CAA WGX A 231 1.331 1.654 28.233 1.00 0.04 C HETATM 1334 NBF WGX A 231 0.351 0.771 27.561 1.00 -0.23 N HETATM 1335 CBA WGX A 231 0.628 0.328 26.330 1.00 0.31 C HETATM 1336 CBB WGX A 231 -0.261 -0.503 25.658 1.00 0.31 C HETATM 1337 NBG WGX A 231 -1.396 -0.868 26.242 1.00 -0.23 N HETATM 1338 CAB WGX A 231 -2.345 -1.754 25.531 1.00 0.04 C HETATM 1339 H4 WGX A 231 -1.938 -2.008 24.541 1.00 0.05 H HETATM 1340 H5 WGX A 231 -3.309 -1.238 25.410 1.00 0.05 H HETATM 1341 H6 WGX A 231 -2.493 -2.675 26.113 1.00 0.05 H HETATM 1342 CBD WGX A 231 -1.678 -0.422 27.481 1.00 0.07 C HETATM 1343 CAK WGX A 231 -2.872 -0.811 28.075 1.00 -0.05 C HETATM 1344 CAZ WGX A 231 -3.240 -0.393 29.347 1.00 0.03 C HETATM 1345 CAX WGX A 231 -2.367 0.439 30.057 1.00 0.06 C HETATM 1346 CAJ WGX A 231 -1.159 0.843 29.456 1.00 -0.04 C HETATM 1347 CBC WGX A 231 -0.804 0.409 28.166 1.00 0.07 C HETATM 1348 H10 WGX A 231 -0.490 1.501 29.998 1.00 0.03 H HETATM 1349 NAU WGX A 231 -2.753 0.847 31.285 1.00 -0.20 N HETATM 1350 SBH WGX A 231 -1.704 0.756 32.574 1.00 0.08 S HETATM 1351 CAY WGX A 231 -1.461 -0.909 32.930 1.00 0.10 C HETATM 1352 CAH WGX A 231 -2.554 -1.753 33.034 1.00 -0.05 C HETATM 1353 CAG WGX A 231 -2.340 -3.095 33.319 1.00 -0.07 C HETATM 1354 CAV WGX A 231 -1.057 -3.605 33.504 1.00 -0.04 C HETATM 1355 CAQ WGX A 231 -0.923 -4.973 33.765 1.00 -0.02 C HETATM 1356 CAM WGX A 231 0.437 -5.301 34.329 1.00 -0.04 C HETATM 1357 CAN WGX A 231 1.485 -4.698 33.417 1.00 -0.04 C HETATM 1358 CAR WGX A 231 1.367 -3.195 33.553 1.00 -0.02 C HETATM 1359 CAW WGX A 231 0.046 -2.753 33.382 1.00 -0.04 C HETATM 1360 CAI WGX A 231 -0.172 -1.403 33.098 1.00 -0.04 C HETATM 1361 H9 WGX A 231 0.674 -0.732 33.007 1.00 0.06 H HETATM 1362 H24 WGX A 231 2.002 -2.719 32.791 1.00 0.04 H HETATM 1363 H25 WGX A 231 1.713 -2.901 34.555 1.00 0.04 H HETATM 1364 H16 WGX A 231 1.300 -5.000 32.376 1.00 0.03 H HETATM 1365 H17 WGX A 231 2.489 -5.029 33.722 1.00 0.03 H HETATM 1366 H14 WGX A 231 0.533 -4.876 35.339 1.00 0.03 H HETATM 1367 H15 WGX A 231 0.567 -6.392 34.376 1.00 0.03 H HETATM 1368 H22 WGX A 231 -1.692 -5.275 34.491 1.00 0.04 H HETATM 1369 H23 WGX A 231 -1.064 -5.531 32.827 1.00 0.04 H HETATM 1370 H7 WGX A 231 -3.191 -3.761 33.399 1.00 0.05 H HETATM 1371 H8 WGX A 231 -3.559 -1.372 32.895 1.00 0.06 H HETATM 1372 OAE WGX A 231 -2.335 1.455 33.776 1.00 -0.15 O HETATM 1373 OAF WGX A 231 -0.357 1.394 32.266 1.00 -0.15 O HETATM 1374 H30 WGX A 231 -3.676 1.207 31.421 1.00 0.21 H HETATM 1375 NBE WGX A 231 -4.437 -0.857 29.775 1.00 -0.32 N HETATM 1376 CAS WGX A 231 -4.573 -2.284 30.128 1.00 0.02 C HETATM 1377 CAO WGX A 231 -5.774 -2.577 31.036 1.00 -0.03 C HETATM 1378 CAL WGX A 231 -7.014 -1.961 30.440 1.00 -0.05 C HETATM 1379 CAP WGX A 231 -6.829 -0.446 30.441 1.00 -0.03 C HETATM 1380 CAT WGX A 231 -5.644 -0.039 29.561 1.00 0.02 C HETATM 1381 H28 WGX A 231 -5.395 1.010 29.778 1.00 0.05 H HETATM 1382 H29 WGX A 231 -5.945 -0.134 28.507 1.00 0.05 H HETATM 1383 H20 WGX A 231 -6.646 -0.106 31.471 1.00 0.03 H HETATM 1384 H21 WGX A 231 -7.743 0.029 30.055 1.00 0.03 H HETATM 1385 H12 WGX A 231 -7.893 -2.231 31.044 1.00 0.03 H HETATM 1386 H13 WGX A 231 -7.152 -2.320 29.410 1.00 0.03 H HETATM 1387 H18 WGX A 231 -5.911 -3.665 31.124 1.00 0.03 H HETATM 1388 H19 WGX A 231 -5.594 -2.148 32.033 1.00 0.03 H HETATM 1389 H26 WGX A 231 -4.689 -2.863 29.200 1.00 0.05 H HETATM 1390 H27 WGX A 231 -3.657 -2.603 30.648 1.00 0.05 H HETATM 1391 H11 WGX A 231 -3.540 -1.464 27.526 1.00 0.03 H HETATM 1392 OAD WGX A 231 -0.010 -0.915 24.524 1.00 -0.35 O HETATM 1393 OAC WGX A 231 1.681 0.672 25.786 1.00 -0.35 O HETATM 1394 H1 WGX A 231 2.192 1.820 27.568 1.00 0.05 H HETATM 1395 H2 WGX A 231 1.673 1.180 29.165 1.00 0.05 H HETATM 1396 H3 WGX A 231 0.856 2.619 28.466 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1333 1334 1394 1395 1396 CONECT 1334 1333 1335 1347 CONECT 1335 1334 1336 1393 CONECT 1336 1335 1337 1392 CONECT 1337 1336 1338 1342 CONECT 1338 1337 1339 1340 1341 CONECT 1339 1338 CONECT 1340 1338 CONECT 1341 1338 CONECT 1342 1337 1343 1347 CONECT 1343 1342 1344 1391 CONECT 1344 1343 1345 1375 CONECT 1345 1344 1346 1349 CONECT 1346 1345 1347 1348 CONECT 1347 1334 1342 1346 CONECT 1348 1346 CONECT 1349 1345 1350 1374 CONECT 1350 1349 1351 1372 1373 CONECT 1351 1350 1352 1360 CONECT 1352 1351 1353 1371 CONECT 1353 1352 1354 1370 CONECT 1354 1353 1355 1359 CONECT 1355 1354 1356 1368 1369 CONECT 1356 1355 1357 1366 1367 CONECT 1357 1356 1358 1364 1365 CONECT 1358 1357 1359 1362 1363 CONECT 1359 1354 1358 1360 CONECT 1360 1351 1359 1361 CONECT 1361 1360 CONECT 1362 1358 CONECT 1363 1358 CONECT 1364 1357 CONECT 1365 1357 CONECT 1366 1356 CONECT 1367 1356 CONECT 1368 1355 CONECT 1369 1355 CONECT 1370 1353 CONECT 1371 1352 CONECT 1372 1350 CONECT 1373 1350 CONECT 1374 1349 CONECT 1375 1344 1376 1380 CONECT 1376 1375 1377 1389 1390 CONECT 1377 1376 1378 1387 1388 CONECT 1378 1377 1379 1385 1386 CONECT 1379 1378 1380 1383 1384 CONECT 1380 1375 1379 1381 1382 CONECT 1381 1380 CONECT 1382 1380 CONECT 1383 1379 CONECT 1384 1379 CONECT 1385 1378 CONECT 1386 1378 CONECT 1387 1377 CONECT 1388 1377 CONECT 1389 1376 CONECT 1390 1376 CONECT 1391 1343 CONECT 1392 1336 CONECT 1393 1335 CONECT 1394 1333 CONECT 1395 1333 CONECT 1396 1333 MASTER 0 0 0 0 0 0 0 0 1395 1 68 9 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6ekq
RCSB PDB
PDBbind
WGX
Entry Information
PDB ID
5mwg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peregrin
Ligand Name
WGX
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=1.7uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 155: pp. 337-352
Ligand Properties
Formula
C
2
5
H
3
0
N
4
O
4
S
Molecular Weight
482.595
Exact Mass
482.199
No. of atoms
64
No. of bonds
68
Polar Surface Area
101.79
LOGP Value
3.68 (
Computed with XLOGP3
)
4.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
Cn1c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)c(cc2n(c(=O)c1=O)C)N1CCCCC1
InChI String
InChI=1S/C25H30N4O4S/c1-27-22-15-20(26-34(32,33)19-11-10-17-8-4-5-9-18(17)14-19)21(29-12-6-3-7-13-29)16-23(22)28(2)25(31)24(27)30/h10-11,14-16,26H,3-9,12-13H2,1-2H3
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):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
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