Browse entries in the PDBbind-CN Database
HEADER 5OVP_COMPLEX COMPND 5OVP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 96 SER VAL ALA ILE LEU GLN LYS ARG ASP HIS GLU GLY PHE SEQRES 2 A 96 GLY PHE VAL LEU ARG GLY ALA LYS ALA GLU THR PRO ILE SEQRES 3 A 96 GLU GLU PHE THR PRO THR PRO ALA PHE PRO ALA LEU GLN SEQRES 4 A 96 TYR LEU GLU SER VAL ASP VAL GLU GLY VAL ALA TRP LYS SEQRES 5 A 96 ALA GLY LEU ARG THR GLY ASP PHE LEU ILE GLU VAL ASN SEQRES 6 A 96 GLY VAL ASN VAL VAL LYS VAL GLY HIS LYS GLN VAL VAL SEQRES 7 A 96 GLY LEU ILE ARG GLN GLY GLY ASN ARG LEU VAL MET LYS SEQRES 8 A 96 VAL VAL SER VAL THR HET ACE A 160 103 ATOM 1 N SER A 579 0.947 -8.954 21.333 1.00 35.58 N ATOM 2 CA SER A 579 0.526 -7.931 22.291 1.00 36.71 C ATOM 3 C SER A 579 -0.988 -7.881 22.361 1.00 30.57 C ATOM 4 O SER A 579 -1.653 -8.331 21.434 1.00 28.65 O ATOM 5 CB SER A 579 1.079 -6.562 21.897 1.00 51.82 C ATOM 6 OG SER A 579 0.767 -6.251 20.554 1.00 59.13 O ATOM 7 HG SER A 579 1.137 -5.361 20.328 1.00 0.00 H ATOM 8 HN3 SER A 579 0.567 -8.724 20.393 1.00 0.00 H ATOM 9 HN2 SER A 579 0.586 -9.881 21.637 1.00 0.00 H ATOM 10 HN1 SER A 579 1.986 -8.982 21.291 1.00 0.00 H ATOM 11 N VAL A 580 -1.520 -7.348 23.460 1.00 27.06 N ATOM 12 CA VAL A 580 -2.954 -7.173 23.667 1.00 21.38 C ATOM 13 C VAL A 580 -3.210 -5.676 23.756 1.00 31.45 C ATOM 14 O VAL A 580 -2.482 -4.954 24.451 1.00 38.96 O ATOM 15 CB VAL A 580 -3.435 -7.891 24.948 1.00 26.38 C ATOM 16 CG1 VAL A 580 -4.955 -7.713 25.191 1.00 24.50 C ATOM 17 CG2 VAL A 580 -3.122 -9.368 24.899 1.00 54.62 C ATOM 18 H VAL A 580 -0.875 -7.038 24.215 1.00 0.00 H ATOM 19 N ALA A 581 -4.240 -5.209 23.054 1.00 22.89 N ATOM 20 CA ALA A 581 -4.713 -3.841 23.135 1.00 19.54 C ATOM 21 C ALA A 581 -6.151 -3.885 23.608 1.00 22.41 C ATOM 22 O ALA A 581 -6.947 -4.708 23.130 1.00 23.93 O ATOM 23 CB ALA A 581 -4.665 -3.182 21.761 1.00 27.75 C ATOM 24 H ALA A 581 -4.733 -5.862 22.412 1.00 0.00 H ATOM 25 N ILE A 582 -6.468 -3.028 24.561 1.00 25.11 N ATOM 26 CA ILE A 582 -7.833 -2.869 25.037 1.00 20.37 C ATOM 27 C ILE A 582 -8.336 -1.527 24.527 1.00 24.03 C ATOM 28 O ILE A 582 -7.955 -0.460 25.024 1.00 27.47 O ATOM 29 CB ILE A 582 -7.914 -2.980 26.557 1.00 22.09 C ATOM 30 CG1 ILE A 582 -7.382 -4.335 26.998 1.00 21.66 C ATOM 31 CG2 ILE A 582 -9.385 -2.746 27.020 1.00 26.35 C ATOM 32 CD1 ILE A 582 -7.325 -4.436 28.526 1.00 28.49 C ATOM 33 H ILE A 582 -5.717 -2.447 24.985 1.00 0.00 H ATOM 34 N LEU A 583 -9.178 -1.569 23.503 1.00 25.48 N ATOM 35 CA LEU A 583 -9.659 -0.361 22.878 1.00 23.49 C ATOM 36 C LEU A 583 -11.025 -0.013 23.436 1.00 25.89 C ATOM 37 O LEU A 583 -11.910 -0.874 23.529 1.00 29.13 O ATOM 38 CB LEU A 583 -9.781 -0.558 21.373 1.00 23.70 C ATOM 39 CG LEU A 583 -8.531 -0.968 20.603 1.00 25.24 C ATOM 40 CD1 LEU A 583 -8.808 -0.845 19.127 1.00 24.27 C ATOM 41 CD2 LEU A 583 -7.323 -0.131 20.977 1.00 47.44 C ATOM 42 H LEU A 583 -9.498 -2.491 23.144 1.00 0.00 H ATOM 43 N GLN A 584 -11.200 1.256 23.787 1.00 25.46 N ATOM 44 CA GLN A 584 -12.498 1.779 24.174 1.00 25.30 C ATOM 45 C GLN A 584 -12.748 3.011 23.337 1.00 33.97 C ATOM 46 O GLN A 584 -11.980 3.975 23.398 1.00 32.90 O ATOM 47 CB GLN A 584 -12.515 2.166 25.654 1.00 28.93 C ATOM 48 CG GLN A 584 -13.852 2.663 26.149 1.00 33.93 C ATOM 49 CD GLN A 584 -14.837 1.550 26.412 1.00 39.56 C ATOM 50 OE1 GLN A 584 -14.518 0.555 27.059 1.00 50.00 O ATOM 51 NE2 GLN A 584 -16.054 1.726 25.927 1.00 42.16 N ATOM 52 HE22 GLN A 584 -16.279 2.585 25.385 1.00 0.00 H ATOM 53 HE21 GLN A 584 -16.787 1.006 26.088 1.00 0.00 H ATOM 54 H GLN A 584 -10.380 1.896 23.785 1.00 0.00 H ATOM 55 N LYS A 585 -13.812 2.983 22.560 1.00 29.41 N ATOM 56 CA LYS A 585 -14.169 4.107 21.728 1.00 29.01 C ATOM 57 C LYS A 585 -15.477 4.682 22.241 1.00 33.62 C ATOM 58 O LYS A 585 -16.171 4.072 23.063 1.00 31.09 O ATOM 59 CB LYS A 585 -14.264 3.653 20.262 1.00 24.52 C ATOM 60 CG LYS A 585 -15.461 2.746 19.923 1.00 22.18 C ATOM 61 CD LYS A 585 -15.501 2.454 18.426 1.00 24.95 C ATOM 62 CE LYS A 585 -16.774 1.759 18.040 1.00 30.55 C ATOM 63 NZ LYS A 585 -17.887 2.729 18.216 1.00 35.30 N ATOM 64 HZ1 LYS A 585 -17.926 3.033 19.210 1.00 0.00 H ATOM 65 HZ2 LYS A 585 -17.725 3.555 17.606 1.00 0.00 H ATOM 66 HZ3 LYS A 585 -18.786 2.275 17.955 1.00 0.00 H ATOM 67 H LYS A 585 -14.408 2.131 22.546 1.00 0.00 H ATOM 68 N ARG A 586 -15.771 5.892 21.797 1.00 29.84 N ATOM 69 CA ARG A 586 -17.076 6.483 22.015 1.00 35.88 C ATOM 70 C ARG A 586 -18.060 6.042 20.922 1.00 41.06 C ATOM 71 O ARG A 586 -17.667 5.579 19.840 1.00 33.12 O ATOM 72 CB ARG A 586 -16.904 7.996 22.095 1.00 56.83 C ATOM 73 CG ARG A 586 -15.738 8.386 23.046 1.00 75.56 C ATOM 74 CD ARG A 586 -15.367 9.853 22.968 1.00 91.93 C ATOM 75 NE ARG A 586 -13.969 10.054 22.572 1.00 99.44 N ATOM 76 CZ ARG A 586 -13.512 11.110 21.891 1.00 97.50 C ATOM 77 NH1 ARG A 586 -14.342 12.078 21.507 1.00105.99 N ATOM 78 NH2 ARG A 586 -12.220 11.196 21.579 1.00 74.40 N ATOM 79 HE ARG A 586 -13.282 9.321 22.841 1.00 0.00 H ATOM 80 HH12 ARG A 586 -13.978 12.896 20.978 1.00 0.00 H ATOM 81 HH11 ARG A 586 -15.354 12.016 21.736 1.00 0.00 H ATOM 82 HH22 ARG A 586 -11.867 12.018 21.049 1.00 0.00 H ATOM 83 HH21 ARG A 586 -11.565 10.441 21.865 1.00 0.00 H ATOM 84 H ARG A 586 -15.049 6.432 21.279 1.00 0.00 H ATOM 85 N ASP A 587 -19.362 6.128 21.246 1.00 38.21 N ATOM 86 CA ASP A 587 -20.413 5.752 20.300 1.00 38.92 C ATOM 87 C ASP A 587 -20.157 6.368 18.936 1.00 35.84 C ATOM 88 O ASP A 587 -20.427 5.761 17.891 1.00 41.43 O ATOM 89 CB ASP A 587 -21.766 6.278 20.792 1.00 41.31 C ATOM 90 CG ASP A 587 -22.442 5.365 21.776 1.00 68.37 C ATOM 91 OD1 ASP A 587 -22.154 4.157 21.770 1.00 57.67 O ATOM 92 OD2 ASP A 587 -23.293 5.866 22.539 1.00 74.15 O ATOM 93 H ASP A 587 -19.628 6.470 22.191 1.00 0.00 H ATOM 94 N HIS A 588 -19.645 7.585 18.934 1.00 35.49 N ATOM 95 CA HIS A 588 -19.629 8.404 17.733 1.00 39.47 C ATOM 96 C HIS A 588 -18.342 8.284 16.921 1.00 51.73 C ATOM 97 O HIS A 588 -18.196 8.985 15.916 1.00 43.94 O ATOM 98 CB HIS A 588 -19.864 9.853 18.130 1.00 44.84 C ATOM 99 CG HIS A 588 -18.940 10.328 19.201 1.00 66.80 C ATOM 100 ND1 HIS A 588 -19.340 10.482 20.512 1.00 60.57 N ATOM 101 CD2 HIS A 588 -17.629 10.658 19.162 1.00 63.40 C ATOM 102 CE1 HIS A 588 -18.316 10.906 21.230 1.00 71.36 C ATOM 103 NE2 HIS A 588 -17.265 11.020 20.435 1.00 60.59 N ATOM 104 H HIS A 588 -19.243 7.967 19.814 1.00 0.00 H ATOM 105 N GLU A 589 -17.415 7.416 17.301 1.00 36.93 N ATOM 106 CA GLU A 589 -16.189 7.271 16.534 1.00 36.21 C ATOM 107 C GLU A 589 -16.034 5.825 16.102 1.00 35.11 C ATOM 108 O GLU A 589 -16.787 4.936 16.518 1.00 29.77 O ATOM 109 CB GLU A 589 -14.957 7.770 17.310 1.00 45.15 C ATOM 110 CG GLU A 589 -14.708 7.072 18.607 1.00 47.81 C ATOM 111 CD GLU A 589 -13.653 7.757 19.481 1.00 55.03 C ATOM 112 OE1 GLU A 589 -13.036 8.756 19.067 1.00 46.42 O ATOM 113 OE2 GLU A 589 -13.433 7.281 20.605 1.00 40.50 O ATOM 114 H GLU A 589 -17.566 6.836 18.151 1.00 0.00 H ATOM 115 N GLY A 590 -15.065 5.610 15.214 1.00 26.21 N ATOM 116 CA GLY A 590 -14.607 4.270 14.914 1.00 24.18 C ATOM 117 C GLY A 590 -13.392 3.917 15.755 1.00 25.80 C ATOM 118 O GLY A 590 -12.897 4.712 16.564 1.00 26.33 O ATOM 119 H GLY A 590 -14.630 6.419 14.727 1.00 0.00 H ATOM 120 N PHE A 591 -12.935 2.676 15.592 1.00 19.34 N ATOM 121 CA PHE A 591 -11.692 2.255 16.224 1.00 18.54 C ATOM 122 C PHE A 591 -10.465 2.797 15.511 1.00 23.51 C ATOM 123 O PHE A 591 -9.367 2.733 16.067 1.00 22.75 O ATOM 124 CB PHE A 591 -11.632 0.729 16.381 1.00 20.20 C ATOM 125 CG PHE A 591 -12.651 0.148 17.364 1.00 20.42 C ATOM 126 CD1 PHE A 591 -12.483 0.285 18.735 1.00 18.54 C ATOM 127 CD2 PHE A 591 -13.750 -0.573 16.920 1.00 24.66 C ATOM 128 CE1 PHE A 591 -13.401 -0.249 19.624 1.00 23.91 C ATOM 129 CE2 PHE A 591 -14.671 -1.110 17.796 1.00 22.16 C ATOM 130 CZ PHE A 591 -14.496 -0.944 19.168 1.00 22.82 C ATOM 131 H PHE A 591 -13.471 2.002 15.008 1.00 0.00 H ATOM 132 N GLY A 592 -10.607 3.256 14.268 1.00 20.88 N ATOM 133 CA GLY A 592 -9.480 3.842 13.560 1.00 24.46 C ATOM 134 C GLY A 592 -8.516 2.845 12.957 1.00 23.13 C ATOM 135 O GLY A 592 -7.311 3.097 12.923 1.00 24.03 O ATOM 136 H GLY A 592 -11.533 3.194 13.799 1.00 0.00 H ATOM 137 N PHE A 593 -9.005 1.719 12.441 1.00 20.76 N ATOM 138 CA PHE A 593 -8.149 0.823 11.682 1.00 20.30 C ATOM 139 C PHE A 593 -8.958 0.209 10.559 1.00 19.89 C ATOM 140 O PHE A 593 -10.185 0.193 10.589 1.00 20.21 O ATOM 141 CB PHE A 593 -7.515 -0.278 12.574 1.00 22.97 C ATOM 142 CG PHE A 593 -8.510 -1.251 13.164 1.00 20.24 C ATOM 143 CD1 PHE A 593 -8.936 -2.351 12.473 1.00 20.69 C ATOM 144 CD2 PHE A 593 -8.986 -1.069 14.434 1.00 23.84 C ATOM 145 CE1 PHE A 593 -9.847 -3.249 13.018 1.00 19.28 C ATOM 146 CE2 PHE A 593 -9.897 -1.958 15.011 1.00 23.06 C ATOM 147 CZ PHE A 593 -10.316 -3.060 14.321 1.00 20.70 C ATOM 148 H PHE A 593 -10.007 1.479 12.582 1.00 0.00 H ATOM 149 N VAL A 594 -8.249 -0.236 9.533 1.00 22.94 N ATOM 150 CA VAL A 594 -8.846 -0.945 8.410 1.00 20.01 C ATOM 151 C VAL A 594 -8.388 -2.386 8.478 1.00 17.57 C ATOM 152 O VAL A 594 -7.180 -2.675 8.524 1.00 18.91 O ATOM 153 CB VAL A 594 -8.457 -0.286 7.086 1.00 18.85 C ATOM 154 CG1 VAL A 594 -8.946 -1.110 5.929 1.00 19.40 C ATOM 155 CG2 VAL A 594 -9.023 1.113 7.023 1.00 20.39 C ATOM 156 H VAL A 594 -7.222 -0.072 9.529 1.00 0.00 H ATOM 157 N LEU A 595 -9.361 -3.295 8.549 1.00 17.10 N ATOM 158 CA LEU A 595 -9.102 -4.718 8.596 1.00 14.66 C ATOM 159 C LEU A 595 -9.160 -5.277 7.181 1.00 16.32 C ATOM 160 O LEU A 595 -10.008 -4.875 6.375 1.00 19.67 O ATOM 161 CB LEU A 595 -10.162 -5.406 9.472 1.00 19.82 C ATOM 162 CG LEU A 595 -9.921 -6.877 9.780 1.00 20.24 C ATOM 163 CD1 LEU A 595 -8.799 -6.947 10.818 1.00 19.81 C ATOM 164 CD2 LEU A 595 -11.234 -7.507 10.320 1.00 22.36 C ATOM 165 H LEU A 595 -10.348 -2.967 8.572 1.00 0.00 H ATOM 166 N ARG A 596 -8.272 -6.237 6.909 1.00 17.11 N ATOM 167 CA ARG A 596 -8.211 -6.851 5.597 1.00 17.67 C ATOM 168 C ARG A 596 -7.889 -8.323 5.734 1.00 18.85 C ATOM 169 O ARG A 596 -7.011 -8.709 6.511 1.00 23.00 O ATOM 170 CB ARG A 596 -7.124 -6.202 4.762 1.00 20.80 C ATOM 171 CG ARG A 596 -6.907 -6.852 3.405 1.00 21.45 C ATOM 172 CD ARG A 596 -5.948 -6.034 2.565 1.00 24.24 C ATOM 173 NE ARG A 596 -5.582 -6.697 1.321 1.00 20.03 N ATOM 174 CZ ARG A 596 -5.147 -6.034 0.260 1.00 22.90 C ATOM 175 NH1 ARG A 596 -5.039 -4.712 0.288 1.00 24.14 N ATOM 176 NH2 ARG A 596 -4.838 -6.700 -0.817 1.00 26.45 N ATOM 177 HE ARG A 596 -5.665 -7.732 1.263 1.00 0.00 H ATOM 178 HH12 ARG A 596 -4.696 -4.200 -0.550 1.00 0.00 H ATOM 179 HH11 ARG A 596 -5.297 -4.187 1.148 1.00 0.00 H ATOM 180 HH22 ARG A 596 -4.495 -6.196 -1.660 1.00 0.00 H ATOM 181 HH21 ARG A 596 -4.935 -7.735 -0.834 1.00 0.00 H ATOM 182 H ARG A 596 -7.613 -6.549 7.651 1.00 0.00 H ATOM 183 N GLY A 597 -8.532 -9.146 4.911 1.00 18.84 N ATOM 184 CA GLY A 597 -8.083 -10.523 4.858 1.00 18.77 C ATOM 185 C GLY A 597 -9.062 -11.430 4.151 1.00 19.15 C ATOM 186 O GLY A 597 -10.077 -10.999 3.629 1.00 20.11 O ATOM 187 H GLY A 597 -9.327 -8.814 4.328 1.00 0.00 H ATOM 188 N ALA A 598 -8.748 -12.719 4.240 1.00 20.02 N ATOM 189 CA ALA A 598 -9.446 -13.730 3.466 1.00 22.40 C ATOM 190 C ALA A 598 -10.936 -13.785 3.758 1.00 24.25 C ATOM 191 O ALA A 598 -11.359 -13.798 4.918 1.00 21.78 O ATOM 192 CB ALA A 598 -8.825 -15.079 3.784 1.00 29.40 C ATOM 193 H ALA A 598 -7.982 -13.011 4.881 1.00 0.00 H ATOM 194 N LYS A 599 -11.732 -13.839 2.697 1.00 28.31 N ATOM 195 CA LYS A 599 -13.136 -14.221 2.814 1.00 26.31 C ATOM 196 C LYS A 599 -13.233 -15.718 3.117 1.00 39.16 C ATOM 197 O LYS A 599 -12.330 -16.494 2.797 1.00 48.43 O ATOM 198 CB LYS A 599 -13.827 -13.933 1.469 1.00 33.08 C ATOM 199 CG LYS A 599 -15.342 -14.061 1.513 1.00 61.11 C ATOM 200 CD LYS A 599 -15.921 -14.629 0.208 1.00 73.28 C ATOM 201 CE LYS A 599 -17.179 -15.473 0.457 1.00 74.00 C ATOM 202 NZ LYS A 599 -17.238 -16.658 -0.447 1.00 73.91 N ATOM 203 HZ1 LYS A 599 -17.249 -16.338 -1.436 1.00 0.00 H ATOM 204 HZ2 LYS A 599 -16.404 -17.258 -0.285 1.00 0.00 H ATOM 205 HZ3 LYS A 599 -18.102 -17.202 -0.248 1.00 0.00 H ATOM 206 H LYS A 599 -11.346 -13.604 1.760 1.00 0.00 H ATOM 207 N ALA A 600 -14.336 -16.139 3.742 1.00 44.33 N ATOM 208 CA ALA A 600 -14.512 -17.580 3.957 1.00 50.11 C ATOM 209 C ALA A 600 -15.939 -18.011 4.291 1.00 76.46 C ATOM 210 O ALA A 600 -16.384 -19.072 3.838 1.00 78.59 O ATOM 211 CB ALA A 600 -13.569 -18.087 5.043 1.00 49.14 C ATOM 212 H ALA A 600 -15.054 -15.461 4.069 1.00 0.00 H ATOM 213 N GLU A 601 -16.651 -17.225 5.100 1.00111.12 N ATOM 214 CA GLU A 601 -18.012 -17.552 5.532 1.00114.18 C ATOM 215 C GLU A 601 -18.064 -18.732 6.505 1.00111.24 C ATOM 216 O GLU A 601 -18.783 -18.670 7.508 1.00114.55 O ATOM 217 CB GLU A 601 -18.951 -17.784 4.342 1.00111.93 C ATOM 218 CG GLU A 601 -20.212 -16.913 4.385 1.00118.21 C ATOM 219 CD GLU A 601 -21.009 -17.070 5.679 1.00119.07 C ATOM 220 OE1 GLU A 601 -21.124 -18.211 6.181 1.00116.61 O ATOM 221 OE2 GLU A 601 -21.518 -16.048 6.195 1.00109.36 O ATOM 222 H GLU A 601 -16.221 -16.341 5.439 1.00 0.00 H ATOM 223 N THR A 602 -17.338 -19.817 6.220 1.00 98.92 N ATOM 224 CA THR A 602 -17.141 -20.878 7.204 1.00107.45 C ATOM 225 C THR A 602 -15.648 -21.092 7.433 1.00105.33 C ATOM 226 O THR A 602 -14.889 -21.160 6.460 1.00109.65 O ATOM 227 CB THR A 602 -17.783 -22.201 6.738 1.00111.23 C ATOM 228 OG1 THR A 602 -19.205 -22.121 6.900 1.00110.45 O ATOM 229 CG2 THR A 602 -17.252 -23.415 7.538 1.00101.95 C ATOM 230 HG1 THR A 602 -19.618 -22.970 6.601 1.00 0.00 H ATOM 231 H THR A 602 -16.905 -19.908 5.279 1.00 0.00 H ATOM 232 N PRO A 603 -15.200 -21.218 8.689 1.00 97.90 N ATOM 233 CA PRO A 603 -13.754 -21.211 8.941 1.00 77.86 C ATOM 234 C PRO A 603 -13.068 -22.305 8.148 1.00 79.11 C ATOM 235 O PRO A 603 -13.583 -23.417 8.005 1.00 86.12 O ATOM 236 CB PRO A 603 -13.646 -21.471 10.449 1.00 72.66 C ATOM 237 CG PRO A 603 -14.986 -21.239 10.989 1.00 74.67 C ATOM 238 CD PRO A 603 -15.945 -21.589 9.903 1.00 86.21 C ATOM 239 N ILE A 604 -11.894 -21.978 7.623 1.00 84.10 N ATOM 240 CA ILE A 604 -11.163 -22.920 6.792 1.00 96.31 C ATOM 241 C ILE A 604 -9.676 -22.594 6.900 1.00 91.89 C ATOM 242 O ILE A 604 -9.259 -21.474 6.581 1.00 85.97 O ATOM 243 CB ILE A 604 -11.677 -22.907 5.332 1.00 98.86 C ATOM 244 CG1 ILE A 604 -12.202 -21.516 4.924 1.00 91.44 C ATOM 245 CG2 ILE A 604 -12.761 -23.985 5.134 1.00 93.79 C ATOM 246 CD1 ILE A 604 -12.990 -21.484 3.595 1.00 93.41 C ATOM 247 H ILE A 604 -11.492 -21.037 7.808 1.00 0.00 H ATOM 248 N GLU A 605 -8.859 -23.552 7.346 1.00 96.94 N ATOM 249 CA GLU A 605 -9.254 -24.939 7.629 1.00103.65 C ATOM 250 C GLU A 605 -8.090 -25.631 8.324 1.00 96.11 C ATOM 251 O GLU A 605 -8.150 -25.960 9.508 1.00 92.05 O ATOM 252 CB GLU A 605 -9.630 -25.700 6.337 1.00108.27 C ATOM 253 CG GLU A 605 -8.654 -25.556 5.145 1.00110.10 C ATOM 254 CD GLU A 605 -9.349 -25.471 3.786 1.00116.46 C ATOM 255 OE1 GLU A 605 -10.517 -25.898 3.678 1.00118.87 O ATOM 256 OE2 GLU A 605 -8.721 -24.973 2.823 1.00114.49 O ATOM 257 H GLU A 605 -7.864 -23.296 7.506 1.00 0.00 H ATOM 258 N GLU A 606 -7.023 -25.849 7.561 1.00100.97 N ATOM 259 CA GLU A 606 -5.748 -26.295 8.099 1.00109.56 C ATOM 260 C GLU A 606 -4.628 -25.361 7.653 1.00112.29 C ATOM 261 O GLU A 606 -3.450 -25.737 7.705 1.00118.48 O ATOM 262 CB GLU A 606 -5.467 -27.758 7.741 1.00112.49 C ATOM 263 CG GLU A 606 -5.841 -28.165 6.325 1.00115.58 C ATOM 264 CD GLU A 606 -4.894 -27.607 5.292 1.00121.44 C ATOM 265 OE1 GLU A 606 -5.165 -26.502 4.774 1.00115.64 O ATOM 266 OE2 GLU A 606 -3.873 -28.271 5.006 1.00129.60 O ATOM 267 H GLU A 606 -7.104 -25.694 6.536 1.00 0.00 H ATOM 268 N PHE A 607 -4.983 -24.158 7.190 1.00 73.07 N ATOM 269 CA PHE A 607 -4.046 -23.048 7.119 1.00 56.13 C ATOM 270 C PHE A 607 -3.239 -23.026 8.400 1.00 56.24 C ATOM 271 O PHE A 607 -3.804 -23.006 9.501 1.00 51.29 O ATOM 272 CB PHE A 607 -4.828 -21.730 6.977 1.00 53.06 C ATOM 273 CG PHE A 607 -4.077 -20.510 7.457 1.00 41.44 C ATOM 274 CD1 PHE A 607 -2.958 -20.058 6.793 1.00 38.22 C ATOM 275 CD2 PHE A 607 -4.502 -19.812 8.573 1.00 40.05 C ATOM 276 CE1 PHE A 607 -2.279 -18.950 7.230 1.00 45.93 C ATOM 277 CE2 PHE A 607 -3.820 -18.704 9.012 1.00 37.90 C ATOM 278 CZ PHE A 607 -2.711 -18.272 8.343 1.00 38.51 C ATOM 279 H PHE A 607 -5.962 -24.011 6.870 1.00 0.00 H ATOM 280 N THR A 608 -1.922 -23.073 8.266 1.00 41.29 N ATOM 281 CA THR A 608 -1.083 -23.130 9.456 1.00 41.36 C ATOM 282 C THR A 608 -0.364 -21.805 9.616 1.00 37.67 C ATOM 283 O THR A 608 0.493 -21.459 8.786 1.00 39.23 O ATOM 284 CB THR A 608 -0.086 -24.294 9.399 1.00 50.60 C ATOM 285 OG1 THR A 608 -0.794 -25.535 9.554 1.00 51.36 O ATOM 286 CG2 THR A 608 0.953 -24.180 10.529 1.00 40.64 C ATOM 287 HG1 THR A 608 -1.456 -25.629 8.824 1.00 0.00 H ATOM 288 H THR A 608 -1.491 -23.069 7.320 1.00 0.00 H ATOM 289 N PRO A 609 -0.678 -21.036 10.645 1.00 32.40 N ATOM 290 CA PRO A 609 0.030 -19.784 10.874 1.00 30.83 C ATOM 291 C PRO A 609 1.525 -20.031 10.918 1.00 34.46 C ATOM 292 O PRO A 609 1.987 -21.073 11.387 1.00 40.86 O ATOM 293 CB PRO A 609 -0.474 -19.342 12.251 1.00 33.95 C ATOM 294 CG PRO A 609 -1.748 -20.040 12.435 1.00 40.00 C ATOM 295 CD PRO A 609 -1.647 -21.329 11.712 1.00 29.44 C ATOM 296 N THR A 610 2.270 -19.033 10.468 1.00 33.52 N ATOM 297 CA THR A 610 3.714 -19.001 10.565 1.00 61.88 C ATOM 298 C THR A 610 4.127 -17.556 10.818 1.00 74.24 C ATOM 299 O THR A 610 3.424 -16.635 10.398 1.00 70.35 O ATOM 300 CB THR A 610 4.342 -19.451 9.248 1.00 62.89 C ATOM 301 OG1 THR A 610 3.867 -18.598 8.200 1.00 48.13 O ATOM 302 CG2 THR A 610 3.961 -20.906 8.961 1.00 63.63 C ATOM 303 HG1 THR A 610 4.126 -17.662 8.395 1.00 0.00 H ATOM 304 H THR A 610 1.791 -18.226 10.019 1.00 0.00 H ATOM 305 N PRO A 611 5.256 -17.344 11.489 1.00 79.66 N ATOM 306 CA PRO A 611 5.687 -15.968 11.767 1.00 74.61 C ATOM 307 C PRO A 611 5.548 -15.037 10.574 1.00 63.94 C ATOM 308 O PRO A 611 5.286 -13.844 10.744 1.00 69.00 O ATOM 309 CB PRO A 611 7.149 -16.157 12.180 1.00 80.92 C ATOM 310 CG PRO A 611 7.144 -17.471 12.864 1.00 74.41 C ATOM 311 CD PRO A 611 6.172 -18.326 12.088 1.00 70.56 C ATOM 312 N ALA A 612 5.692 -15.566 9.361 1.00 49.35 N ATOM 313 CA ALA A 612 5.583 -14.716 8.182 1.00 52.48 C ATOM 314 C ALA A 612 4.136 -14.424 7.810 1.00 56.46 C ATOM 315 O ALA A 612 3.848 -13.356 7.253 1.00 46.35 O ATOM 316 CB ALA A 612 6.292 -15.368 6.996 1.00 68.48 C ATOM 317 H ALA A 612 5.882 -16.583 9.255 1.00 0.00 H ATOM 318 N PHE A 613 3.227 -15.358 8.083 1.00 54.85 N ATOM 319 CA PHE A 613 1.796 -15.168 7.842 1.00 48.29 C ATOM 320 C PHE A 613 1.061 -15.752 9.040 1.00 34.88 C ATOM 321 O PHE A 613 0.625 -16.911 9.029 1.00 36.80 O ATOM 322 CB PHE A 613 1.358 -15.828 6.534 1.00 42.81 C ATOM 323 CG PHE A 613 0.151 -15.188 5.916 1.00 59.34 C ATOM 324 CD1 PHE A 613 0.255 -13.969 5.269 1.00 81.64 C ATOM 325 CD2 PHE A 613 -1.086 -15.801 5.981 1.00 56.06 C ATOM 326 CE1 PHE A 613 -0.856 -13.371 4.699 1.00 87.16 C ATOM 327 CE2 PHE A 613 -2.199 -15.213 5.419 1.00 49.68 C ATOM 328 CZ PHE A 613 -2.086 -13.995 4.773 1.00 81.93 C ATOM 329 H PHE A 613 3.548 -16.262 8.485 1.00 0.00 H ATOM 330 N PRO A 614 0.938 -14.978 10.119 1.00 33.74 N ATOM 331 CA PRO A 614 0.405 -15.541 11.364 1.00 32.90 C ATOM 332 C PRO A 614 -1.114 -15.615 11.457 1.00 31.77 C ATOM 333 O PRO A 614 -1.616 -16.167 12.446 1.00 28.83 O ATOM 334 CB PRO A 614 0.989 -14.610 12.441 1.00 36.61 C ATOM 335 CG PRO A 614 1.269 -13.362 11.759 1.00 39.39 C ATOM 336 CD PRO A 614 1.523 -13.643 10.327 1.00 36.44 C ATOM 337 N ALA A 615 -1.870 -15.086 10.498 1.00 26.45 N ATOM 338 CA ALA A 615 -3.322 -15.085 10.617 1.00 22.65 C ATOM 339 C ALA A 615 -3.934 -14.650 9.290 1.00 20.68 C ATOM 340 O ALA A 615 -3.277 -14.018 8.450 1.00 26.98 O ATOM 341 CB ALA A 615 -3.835 -14.156 11.728 1.00 22.68 C ATOM 342 H ALA A 615 -1.421 -14.670 9.657 1.00 0.00 H ATOM 343 N LEU A 616 -5.241 -14.892 9.164 1.00 22.69 N ATOM 344 CA LEU A 616 -5.901 -14.558 7.905 1.00 21.46 C ATOM 345 C LEU A 616 -6.282 -13.100 7.803 1.00 20.64 C ATOM 346 O LEU A 616 -6.503 -12.627 6.674 1.00 22.89 O ATOM 347 CB LEU A 616 -7.172 -15.377 7.723 1.00 20.17 C ATOM 348 CG LEU A 616 -6.963 -16.874 7.473 1.00 26.01 C ATOM 349 CD1 LEU A 616 -8.369 -17.491 7.382 1.00 30.15 C ATOM 350 CD2 LEU A 616 -6.129 -17.172 6.260 1.00 26.51 C ATOM 351 H LEU A 616 -5.780 -15.311 9.949 1.00 0.00 H ATOM 352 N GLN A 617 -6.426 -12.403 8.914 1.00 20.06 N ATOM 353 CA GLN A 617 -6.833 -11.003 8.933 1.00 17.80 C ATOM 354 C GLN A 617 -5.735 -10.152 9.557 1.00 23.50 C ATOM 355 O GLN A 617 -5.108 -10.557 10.547 1.00 23.09 O ATOM 356 CB GLN A 617 -8.127 -10.807 9.737 1.00 16.79 C ATOM 357 CG GLN A 617 -9.261 -11.790 9.458 1.00 16.40 C ATOM 358 CD GLN A 617 -9.658 -11.903 7.996 1.00 18.43 C ATOM 359 OE1 GLN A 617 -9.723 -10.906 7.308 1.00 19.54 O ATOM 360 NE2 GLN A 617 -9.998 -13.103 7.557 1.00 21.23 N ATOM 361 HE22 GLN A 617 -9.924 -13.927 8.187 1.00 0.00 H ATOM 362 HE21 GLN A 617 -10.339 -13.223 6.582 1.00 0.00 H ATOM 363 H GLN A 617 -6.240 -12.876 9.821 1.00 0.00 H ATOM 364 N TYR A 618 -5.551 -8.948 9.025 1.00 19.02 N ATOM 365 CA TYR A 618 -4.524 -8.039 9.511 1.00 19.95 C ATOM 366 C TYR A 618 -5.003 -6.596 9.367 1.00 19.46 C ATOM 367 O TYR A 618 -5.999 -6.301 8.681 1.00 19.74 O ATOM 368 CB TYR A 618 -3.183 -8.290 8.790 1.00 19.97 C ATOM 369 CG TYR A 618 -3.201 -8.033 7.301 1.00 22.41 C ATOM 370 CD1 TYR A 618 -3.739 -8.962 6.455 1.00 25.21 C ATOM 371 CD2 TYR A 618 -2.675 -6.864 6.763 1.00 25.68 C ATOM 372 CE1 TYR A 618 -3.759 -8.746 5.074 1.00 25.55 C ATOM 373 CE2 TYR A 618 -2.691 -6.641 5.380 1.00 27.42 C ATOM 374 CZ TYR A 618 -3.252 -7.582 4.573 1.00 24.92 C ATOM 375 OH TYR A 618 -3.276 -7.394 3.180 1.00 34.34 O ATOM 376 HH TYR A 618 -3.718 -8.169 2.751 1.00 0.00 H ATOM 377 H TYR A 618 -6.160 -8.646 8.237 1.00 0.00 H ATOM 378 N LEU A 619 -4.255 -5.685 9.979 1.00 19.93 N ATOM 379 CA LEU A 619 -4.561 -4.256 9.909 1.00 19.09 C ATOM 380 C LEU A 619 -3.857 -3.693 8.686 1.00 23.66 C ATOM 381 O LEU A 619 -2.638 -3.519 8.669 1.00 25.96 O ATOM 382 CB LEU A 619 -4.139 -3.520 11.180 1.00 19.60 C ATOM 383 CG LEU A 619 -4.598 -4.154 12.490 1.00 22.49 C ATOM 384 CD1 LEU A 619 -4.302 -3.288 13.724 1.00 26.87 C ATOM 385 CD2 LEU A 619 -6.055 -4.516 12.462 1.00 24.33 C ATOM 386 H LEU A 619 -3.426 -5.997 10.525 1.00 0.00 H ATOM 387 N GLU A 620 -4.626 -3.423 7.638 1.00 20.63 N ATOM 388 CA GLU A 620 -4.034 -2.776 6.480 1.00 22.41 C ATOM 389 C GLU A 620 -3.538 -1.372 6.804 1.00 26.84 C ATOM 390 O GLU A 620 -2.526 -0.929 6.244 1.00 26.18 O ATOM 391 CB GLU A 620 -5.044 -2.741 5.357 1.00 21.51 C ATOM 392 CG GLU A 620 -4.568 -1.895 4.208 1.00 30.21 C ATOM 393 CD GLU A 620 -5.500 -1.961 3.019 1.00 22.78 C ATOM 394 OE1 GLU A 620 -5.233 -2.804 2.144 1.00 36.66 O ATOM 395 OE2 GLU A 620 -6.490 -1.166 2.993 1.00 26.15 O ATOM 396 H GLU A 620 -5.636 -3.671 7.646 1.00 0.00 H ATOM 397 N SER A 621 -4.225 -0.660 7.706 1.00 20.47 N ATOM 398 CA SER A 621 -3.850 0.703 8.075 1.00 20.31 C ATOM 399 C SER A 621 -4.409 1.018 9.456 1.00 21.67 C ATOM 400 O SER A 621 -5.360 0.376 9.904 1.00 21.22 O ATOM 401 CB SER A 621 -4.360 1.726 7.055 1.00 20.84 C ATOM 402 OG SER A 621 -5.774 1.716 6.902 1.00 25.04 O ATOM 403 HG SER A 621 -6.200 1.924 7.771 1.00 0.00 H ATOM 404 H SER A 621 -5.055 -1.092 8.160 1.00 0.00 H ATOM 405 N VAL A 622 -3.806 2.031 10.107 1.00 28.28 N ATOM 406 CA VAL A 622 -4.296 2.612 11.361 1.00 28.73 C ATOM 407 C VAL A 622 -4.233 4.131 11.243 1.00 32.54 C ATOM 408 O VAL A 622 -3.225 4.683 10.794 1.00 34.99 O ATOM 409 CB VAL A 622 -3.455 2.158 12.575 1.00 38.94 C ATOM 410 CG1 VAL A 622 -3.438 0.636 12.703 1.00 29.45 C ATOM 411 CG2 VAL A 622 -2.032 2.710 12.467 1.00 44.32 C ATOM 412 H VAL A 622 -2.937 2.426 9.694 1.00 0.00 H ATOM 413 N ASP A 623 -5.307 4.806 11.656 1.00 28.03 N ATOM 414 CA ASP A 623 -5.386 6.267 11.592 1.00 27.12 C ATOM 415 C ASP A 623 -4.625 6.879 12.758 1.00 30.91 C ATOM 416 O ASP A 623 -4.925 6.568 13.912 1.00 29.27 O ATOM 417 CB ASP A 623 -6.846 6.718 11.701 1.00 29.21 C ATOM 418 CG ASP A 623 -7.646 6.467 10.439 1.00 44.03 C ATOM 419 OD1 ASP A 623 -7.048 6.490 9.346 1.00 58.61 O ATOM 420 OD2 ASP A 623 -8.875 6.257 10.547 1.00 52.83 O ATOM 421 H ASP A 623 -6.117 4.276 12.037 1.00 0.00 H ATOM 422 N VAL A 624 -3.682 7.785 12.470 1.00 31.21 N ATOM 423 CA VAL A 624 -3.072 8.582 13.537 1.00 33.88 C ATOM 424 C VAL A 624 -4.153 9.363 14.275 1.00 35.71 C ATOM 425 O VAL A 624 -5.091 9.905 13.675 1.00 36.90 O ATOM 426 CB VAL A 624 -1.985 9.519 12.978 1.00 44.27 C ATOM 427 CG1 VAL A 624 -1.580 10.594 13.994 1.00 48.95 C ATOM 428 CG2 VAL A 624 -0.776 8.734 12.599 1.00 49.29 C ATOM 429 H VAL A 624 -3.381 7.923 11.484 1.00 0.00 H ATOM 430 N GLU A 625 -4.005 9.455 15.589 1.00 35.53 N ATOM 431 CA GLU A 625 -4.970 10.104 16.467 1.00 52.36 C ATOM 432 C GLU A 625 -6.268 9.318 16.592 1.00 41.14 C ATOM 433 O GLU A 625 -7.217 9.800 17.223 1.00 43.30 O ATOM 434 CB GLU A 625 -5.256 11.551 16.049 1.00 61.21 C ATOM 435 CG GLU A 625 -5.964 12.403 17.103 1.00 70.37 C ATOM 436 CD GLU A 625 -5.152 12.554 18.376 1.00 71.27 C ATOM 437 OE1 GLU A 625 -3.925 12.327 18.325 1.00 58.38 O ATOM 438 OE2 GLU A 625 -5.741 12.898 19.427 1.00 80.90 O ATOM 439 H GLU A 625 -3.153 9.041 16.017 1.00 0.00 H ATOM 440 N GLY A 626 -6.340 8.109 16.014 1.00 31.39 N ATOM 441 CA GLY A 626 -7.458 7.220 16.264 1.00 29.12 C ATOM 442 C GLY A 626 -7.239 6.348 17.525 1.00 24.43 C ATOM 443 O GLY A 626 -6.142 6.287 18.080 1.00 25.42 O ATOM 444 H GLY A 626 -5.579 7.804 15.374 1.00 0.00 H ATOM 445 N VAL A 627 -8.301 5.633 17.909 1.00 24.89 N ATOM 446 CA VAL A 627 -8.279 4.802 19.112 1.00 23.09 C ATOM 447 C VAL A 627 -7.193 3.737 19.014 1.00 25.48 C ATOM 448 O VAL A 627 -6.402 3.534 19.941 1.00 27.43 O ATOM 449 CB VAL A 627 -9.667 4.167 19.339 1.00 25.65 C ATOM 450 CG1 VAL A 627 -9.652 3.202 20.517 1.00 31.48 C ATOM 451 CG2 VAL A 627 -10.715 5.242 19.575 1.00 25.32 C ATOM 452 H VAL A 627 -9.168 5.669 17.336 1.00 0.00 H ATOM 453 N ALA A 628 -7.155 3.012 17.899 1.00 20.79 N ATOM 454 CA ALA A 628 -6.190 1.926 17.793 1.00 19.60 C ATOM 455 C ALA A 628 -4.776 2.469 17.807 1.00 25.30 C ATOM 456 O ALA A 628 -3.872 1.849 18.377 1.00 25.24 O ATOM 457 CB ALA A 628 -6.455 1.128 16.515 1.00 19.66 C ATOM 458 H ALA A 628 -7.805 3.218 17.114 1.00 0.00 H ATOM 459 N TRP A 629 -4.552 3.599 17.133 1.00 22.96 N ATOM 460 CA TRP A 629 -3.203 4.134 17.036 1.00 22.03 C ATOM 461 C TRP A 629 -2.723 4.594 18.388 1.00 32.48 C ATOM 462 O TRP A 629 -1.575 4.330 18.764 1.00 36.79 O ATOM 463 CB TRP A 629 -3.167 5.281 16.043 1.00 35.26 C ATOM 464 CG TRP A 629 -1.843 5.927 15.927 1.00 39.92 C ATOM 465 CD1 TRP A 629 -0.790 5.516 15.167 1.00 44.18 C ATOM 466 CD2 TRP A 629 -1.421 7.125 16.596 1.00 47.79 C ATOM 467 NE1 TRP A 629 0.263 6.389 15.317 1.00 52.94 N ATOM 468 CE2 TRP A 629 -0.100 7.384 16.187 1.00 50.70 C ATOM 469 CE3 TRP A 629 -2.036 8.002 17.498 1.00 58.28 C ATOM 470 CZ2 TRP A 629 0.625 8.484 16.657 1.00 62.30 C ATOM 471 CZ3 TRP A 629 -1.321 9.104 17.955 1.00 62.44 C ATOM 472 CH2 TRP A 629 -0.004 9.330 17.535 1.00 70.96 C ATOM 473 HE1 TRP A 629 1.186 6.307 14.846 1.00 0.00 H ATOM 474 H TRP A 629 -5.343 4.097 16.677 1.00 0.00 H ATOM 475 N LYS A 630 -3.598 5.276 19.131 1.00 33.24 N ATOM 476 CA LYS A 630 -3.234 5.736 20.462 1.00 32.65 C ATOM 477 C LYS A 630 -2.908 4.564 21.365 1.00 32.08 C ATOM 478 O LYS A 630 -2.046 4.684 22.240 1.00 35.66 O ATOM 479 CB LYS A 630 -4.359 6.571 21.071 1.00 28.86 C ATOM 480 CG LYS A 630 -4.579 7.911 20.400 1.00 34.59 C ATOM 481 CD LYS A 630 -5.673 8.676 21.126 1.00 39.99 C ATOM 482 CE LYS A 630 -6.067 9.937 20.398 1.00 45.29 C ATOM 483 NZ LYS A 630 -7.347 10.493 20.935 1.00 49.74 N ATOM 484 HZ1 LYS A 630 -8.105 9.791 20.818 1.00 0.00 H ATOM 485 HZ2 LYS A 630 -7.231 10.714 21.945 1.00 0.00 H ATOM 486 HZ3 LYS A 630 -7.592 11.360 20.415 1.00 0.00 H ATOM 487 H LYS A 630 -4.546 5.480 18.756 1.00 0.00 H ATOM 488 N ALA A 631 -3.562 3.421 21.154 1.00 30.94 N ATOM 489 CA ALA A 631 -3.233 2.227 21.921 1.00 27.00 C ATOM 490 C ALA A 631 -2.042 1.464 21.360 1.00 29.74 C ATOM 491 O ALA A 631 -1.687 0.420 21.911 1.00 37.47 O ATOM 492 CB ALA A 631 -4.433 1.302 22.063 1.00 29.05 C ATOM 493 H ALA A 631 -4.313 3.382 20.436 1.00 0.00 H ATOM 494 N GLY A 632 -1.417 1.943 20.276 1.00 34.46 N ATOM 495 CA GLY A 632 -0.164 1.380 19.819 1.00 31.57 C ATOM 496 C GLY A 632 -0.270 0.357 18.713 1.00 39.59 C ATOM 497 O GLY A 632 0.762 -0.191 18.304 1.00 33.47 O ATOM 498 H GLY A 632 -1.841 2.735 19.752 1.00 0.00 H ATOM 499 N LEU A 633 -1.473 0.073 18.225 1.00 32.23 N ATOM 500 CA LEU A 633 -1.621 -0.794 17.064 1.00 24.18 C ATOM 501 C LEU A 633 -1.050 -0.109 15.838 1.00 30.20 C ATOM 502 O LEU A 633 -1.047 1.119 15.724 1.00 31.48 O ATOM 503 CB LEU A 633 -3.095 -1.152 16.858 1.00 20.31 C ATOM 504 CG LEU A 633 -3.738 -2.005 17.958 1.00 29.99 C ATOM 505 CD1 LEU A 633 -5.178 -2.280 17.668 1.00 29.36 C ATOM 506 CD2 LEU A 633 -3.008 -3.313 18.123 1.00 42.43 C ATOM 507 H LEU A 633 -2.319 0.475 18.677 1.00 0.00 H ATOM 508 N ARG A 634 -0.544 -0.917 14.923 1.00 26.48 N ATOM 509 CA ARG A 634 0.176 -0.373 13.800 1.00 30.90 C ATOM 510 C ARG A 634 -0.185 -1.125 12.533 1.00 27.24 C ATOM 511 O ARG A 634 -0.606 -2.284 12.558 1.00 29.72 O ATOM 512 CB ARG A 634 1.679 -0.434 14.065 1.00 49.57 C ATOM 513 CG ARG A 634 2.130 0.485 15.207 1.00 45.43 C ATOM 514 CD ARG A 634 1.950 1.959 14.832 1.00 52.08 C ATOM 515 NE ARG A 634 2.471 2.868 15.852 1.00 57.03 N ATOM 516 CZ ARG A 634 1.745 3.440 16.813 1.00 57.98 C ATOM 517 NH1 ARG A 634 0.439 3.215 16.918 1.00 45.52 N ATOM 518 NH2 ARG A 634 2.335 4.251 17.682 1.00 73.53 N ATOM 519 HE ARG A 634 3.488 3.085 15.826 1.00 0.00 H ATOM 520 HH12 ARG A 634 -0.108 3.672 17.675 1.00 0.00 H ATOM 521 HH11 ARG A 634 -0.036 2.582 16.243 1.00 0.00 H ATOM 522 HH22 ARG A 634 1.777 4.702 18.435 1.00 0.00 H ATOM 523 HH21 ARG A 634 3.356 4.436 17.610 1.00 0.00 H ATOM 524 H ARG A 634 -0.666 -1.946 15.014 1.00 0.00 H ATOM 525 N THR A 635 -0.032 -0.417 11.428 1.00 33.23 N ATOM 526 CA THR A 635 -0.195 -1.003 10.118 1.00 31.61 C ATOM 527 C THR A 635 0.605 -2.282 10.031 1.00 29.62 C ATOM 528 O THR A 635 1.774 -2.322 10.412 1.00 31.10 O ATOM 529 CB THR A 635 0.321 0.008 9.107 1.00 38.05 C ATOM 530 OG1 THR A 635 -0.469 1.208 9.212 1.00 41.34 O ATOM 531 CG2 THR A 635 0.247 -0.567 7.730 1.00 37.02 C ATOM 532 HG1 THR A 635 -0.389 1.575 10.128 1.00 0.00 H ATOM 533 H THR A 635 0.213 0.591 11.504 1.00 0.00 H ATOM 534 N GLY A 636 -0.023 -3.321 9.517 1.00 26.27 N ATOM 535 CA GLY A 636 0.638 -4.588 9.324 1.00 24.57 C ATOM 536 C GLY A 636 0.440 -5.575 10.447 1.00 30.72 C ATOM 537 O GLY A 636 0.842 -6.734 10.315 1.00 32.11 O ATOM 538 H GLY A 636 -1.022 -3.224 9.243 1.00 0.00 H ATOM 539 N ASP A 637 -0.162 -5.156 11.550 1.00 28.36 N ATOM 540 CA ASP A 637 -0.372 -6.058 12.668 1.00 27.13 C ATOM 541 C ASP A 637 -1.389 -7.129 12.291 1.00 23.10 C ATOM 542 O ASP A 637 -2.431 -6.839 11.693 1.00 23.30 O ATOM 543 CB ASP A 637 -0.895 -5.258 13.862 1.00 22.61 C ATOM 544 CG ASP A 637 0.209 -4.495 14.634 1.00 30.05 C ATOM 545 OD1 ASP A 637 1.410 -4.776 14.411 1.00 32.84 O ATOM 546 OD2 ASP A 637 -0.141 -3.611 15.473 1.00 28.96 O ATOM 547 H ASP A 637 -0.488 -4.170 11.616 1.00 0.00 H ATOM 548 N PHE A 638 -1.089 -8.383 12.646 1.00 25.29 N ATOM 549 CA PHE A 638 -1.981 -9.497 12.355 1.00 26.19 C ATOM 550 C PHE A 638 -2.906 -9.753 13.540 1.00 22.98 C ATOM 551 O PHE A 638 -2.475 -9.729 14.694 1.00 24.11 O ATOM 552 CB PHE A 638 -1.183 -10.765 12.032 1.00 30.34 C ATOM 553 CG PHE A 638 -0.759 -10.861 10.592 1.00 31.53 C ATOM 554 CD1 PHE A 638 0.437 -10.333 10.184 1.00 37.93 C ATOM 555 CD2 PHE A 638 -1.568 -11.465 9.662 1.00 22.49 C ATOM 556 CE1 PHE A 638 0.827 -10.426 8.867 1.00 30.43 C ATOM 557 CE2 PHE A 638 -1.177 -11.556 8.341 1.00 28.49 C ATOM 558 CZ PHE A 638 0.013 -11.027 7.961 1.00 28.03 C ATOM 559 H PHE A 638 -0.195 -8.568 13.143 1.00 0.00 H ATOM 560 N LEU A 639 -4.182 -9.998 13.251 1.00 23.13 N ATOM 561 CA LEU A 639 -5.198 -10.102 14.299 1.00 22.03 C ATOM 562 C LEU A 639 -5.348 -11.556 14.729 1.00 20.92 C ATOM 563 O LEU A 639 -5.772 -12.397 13.939 1.00 22.55 O ATOM 564 CB LEU A 639 -6.526 -9.537 13.787 1.00 22.16 C ATOM 565 CG LEU A 639 -7.699 -9.548 14.749 1.00 23.98 C ATOM 566 CD1 LEU A 639 -7.343 -8.880 16.075 1.00 21.36 C ATOM 567 CD2 LEU A 639 -8.885 -8.822 14.135 1.00 22.25 C ATOM 568 H LEU A 639 -4.464 -10.118 12.257 1.00 0.00 H ATOM 569 N ILE A 640 -5.082 -11.814 16.013 1.00 19.73 N ATOM 570 CA ILE A 640 -5.028 -13.158 16.605 1.00 23.12 C ATOM 571 C ILE A 640 -6.286 -13.513 17.388 1.00 24.54 C ATOM 572 O ILE A 640 -6.714 -14.668 17.366 1.00 22.04 O ATOM 573 CB ILE A 640 -3.809 -13.230 17.552 1.00 34.71 C ATOM 574 CG1 ILE A 640 -2.539 -12.909 16.792 1.00 51.03 C ATOM 575 CG2 ILE A 640 -3.731 -14.580 18.233 1.00 56.03 C ATOM 576 CD1 ILE A 640 -2.365 -13.742 15.622 1.00 28.67 C ATOM 577 H ILE A 640 -4.900 -11.004 16.639 1.00 0.00 H ATOM 578 N GLU A 641 -6.801 -12.581 18.185 1.00 23.26 N ATOM 579 CA GLU A 641 -7.938 -12.811 19.075 1.00 18.59 C ATOM 580 C GLU A 641 -8.796 -11.558 19.129 1.00 16.31 C ATOM 581 O GLU A 641 -8.285 -10.439 19.110 1.00 20.11 O ATOM 582 CB GLU A 641 -7.533 -13.087 20.542 1.00 26.72 C ATOM 583 CG GLU A 641 -6.981 -14.460 20.850 1.00 28.81 C ATOM 584 CD GLU A 641 -7.064 -14.786 22.344 1.00 31.29 C ATOM 585 OE1 GLU A 641 -6.922 -15.978 22.647 1.00 38.13 O ATOM 586 OE2 GLU A 641 -7.300 -13.871 23.161 1.00 33.94 O ATOM 587 H GLU A 641 -6.370 -11.634 18.175 1.00 0.00 H ATOM 588 N VAL A 642 -10.110 -11.754 19.195 1.00 18.75 N ATOM 589 CA VAL A 642 -11.079 -10.676 19.362 1.00 17.40 C ATOM 590 C VAL A 642 -11.909 -11.029 20.578 1.00 20.77 C ATOM 591 O VAL A 642 -12.562 -12.080 20.598 1.00 19.48 O ATOM 592 CB VAL A 642 -11.979 -10.542 18.125 1.00 17.21 C ATOM 593 CG1 VAL A 642 -13.166 -9.613 18.364 1.00 21.62 C ATOM 594 CG2 VAL A 642 -11.168 -10.064 16.933 1.00 18.62 C ATOM 595 H VAL A 642 -10.466 -12.729 19.124 1.00 0.00 H ATOM 596 N ASN A 643 -11.839 -10.182 21.603 1.00 17.96 N ATOM 597 CA ASN A 643 -12.555 -10.407 22.865 1.00 18.54 C ATOM 598 C ASN A 643 -12.426 -11.835 23.381 1.00 19.78 C ATOM 599 O ASN A 643 -13.388 -12.417 23.899 1.00 20.93 O ATOM 600 CB ASN A 643 -14.012 -9.998 22.724 1.00 19.52 C ATOM 601 CG ASN A 643 -14.152 -8.569 22.285 1.00 23.81 C ATOM 602 OD1 ASN A 643 -13.448 -7.694 22.781 1.00 24.33 O ATOM 603 ND2 ASN A 643 -14.999 -8.333 21.277 1.00 26.93 N ATOM 604 HD22 ASN A 643 -15.575 -9.107 20.890 1.00 0.00 H ATOM 605 HD21 ASN A 643 -15.081 -7.375 20.881 1.00 0.00 H ATOM 606 H ASN A 643 -11.254 -9.327 21.506 1.00 0.00 H ATOM 607 N GLY A 644 -11.210 -12.376 23.317 1.00 19.06 N ATOM 608 CA GLY A 644 -10.894 -13.710 23.820 1.00 22.48 C ATOM 609 C GLY A 644 -11.044 -14.856 22.810 1.00 18.44 C ATOM 610 O GLY A 644 -10.606 -15.992 23.096 1.00 21.25 O ATOM 611 H GLY A 644 -10.445 -11.819 22.886 1.00 0.00 H ATOM 612 N VAL A 645 -11.655 -14.608 21.654 1.00 21.38 N ATOM 613 CA VAL A 645 -11.902 -15.643 20.650 1.00 21.90 C ATOM 614 C VAL A 645 -10.800 -15.641 19.593 1.00 17.95 C ATOM 615 O VAL A 645 -10.554 -14.626 18.927 1.00 21.81 O ATOM 616 CB VAL A 645 -13.260 -15.440 19.986 1.00 25.35 C ATOM 617 CG1 VAL A 645 -13.433 -16.462 18.877 1.00 25.41 C ATOM 618 CG2 VAL A 645 -14.336 -15.581 21.004 1.00 28.48 C ATOM 619 H VAL A 645 -11.970 -13.637 21.456 1.00 0.00 H ATOM 620 N ASN A 646 -10.152 -16.790 19.444 1.00 23.63 N ATOM 621 CA ASN A 646 -9.094 -16.981 18.453 1.00 20.96 C ATOM 622 C ASN A 646 -9.683 -16.884 17.049 1.00 21.77 C ATOM 623 O ASN A 646 -10.591 -17.645 16.702 1.00 23.13 O ATOM 624 CB ASN A 646 -8.491 -18.372 18.665 1.00 23.92 C ATOM 625 CG ASN A 646 -7.558 -18.822 17.553 1.00 45.49 C ATOM 626 OD1 ASN A 646 -7.221 -18.073 16.652 1.00 35.77 O ATOM 627 ND2 ASN A 646 -7.143 -20.096 17.621 1.00 40.75 N ATOM 628 HD22 ASN A 646 -7.453 -20.703 18.406 1.00 0.00 H ATOM 629 HD21 ASN A 646 -6.511 -20.477 16.888 1.00 0.00 H ATOM 630 H ASN A 646 -10.408 -17.589 20.059 1.00 0.00 H ATOM 631 N VAL A 647 -9.181 -15.945 16.240 1.00 20.05 N ATOM 632 CA VAL A 647 -9.688 -15.701 14.884 1.00 18.51 C ATOM 633 C VAL A 647 -8.624 -15.920 13.816 1.00 22.76 C ATOM 634 O VAL A 647 -8.764 -15.443 12.695 1.00 20.95 O ATOM 635 CB VAL A 647 -10.312 -14.296 14.773 1.00 18.30 C ATOM 636 CG1 VAL A 647 -11.538 -14.155 15.612 1.00 20.49 C ATOM 637 CG2 VAL A 647 -9.310 -13.213 15.117 1.00 19.81 C ATOM 638 H VAL A 647 -8.395 -15.360 16.588 1.00 0.00 H ATOM 639 N VAL A 648 -7.571 -16.658 14.135 1.00 20.80 N ATOM 640 CA VAL A 648 -6.476 -16.840 13.205 1.00 26.75 C ATOM 641 C VAL A 648 -6.966 -17.472 11.915 1.00 26.80 C ATOM 642 O VAL A 648 -6.515 -17.098 10.833 1.00 23.99 O ATOM 643 CB VAL A 648 -5.399 -17.680 13.895 1.00 32.83 C ATOM 644 CG1 VAL A 648 -4.475 -18.280 12.925 1.00 43.62 C ATOM 645 CG2 VAL A 648 -4.634 -16.809 14.858 1.00 27.81 C ATOM 646 H VAL A 648 -7.530 -17.114 15.069 1.00 0.00 H ATOM 647 N LYS A 649 -7.885 -18.444 12.000 1.00 23.96 N ATOM 648 CA LYS A 649 -8.397 -19.146 10.818 1.00 21.49 C ATOM 649 C LYS A 649 -9.816 -18.725 10.440 1.00 28.87 C ATOM 650 O LYS A 649 -10.486 -19.437 9.689 1.00 35.79 O ATOM 651 CB LYS A 649 -8.376 -20.654 11.063 1.00 25.19 C ATOM 652 CG LYS A 649 -7.034 -21.200 11.453 1.00 35.69 C ATOM 653 CD LYS A 649 -7.097 -22.723 11.490 1.00 65.56 C ATOM 654 CE LYS A 649 -5.816 -23.362 11.994 1.00 64.27 C ATOM 655 NZ LYS A 649 -5.807 -24.827 11.703 1.00 75.16 N ATOM 656 HZ1 LYS A 649 -6.617 -25.278 12.175 1.00 0.00 H ATOM 657 HZ2 LYS A 649 -5.876 -24.976 10.676 1.00 0.00 H ATOM 658 HZ3 LYS A 649 -4.922 -25.244 12.056 1.00 0.00 H ATOM 659 H LYS A 649 -8.248 -18.710 12.938 1.00 0.00 H ATOM 660 N VAL A 650 -10.298 -17.587 10.930 1.00 21.58 N ATOM 661 CA VAL A 650 -11.695 -17.203 10.760 1.00 24.82 C ATOM 662 C VAL A 650 -11.824 -16.237 9.573 1.00 25.60 C ATOM 663 O VAL A 650 -10.975 -15.356 9.367 1.00 20.92 O ATOM 664 CB VAL A 650 -12.264 -16.611 12.062 1.00 22.59 C ATOM 665 CG1 VAL A 650 -13.706 -16.092 11.822 1.00 22.06 C ATOM 666 CG2 VAL A 650 -12.237 -17.688 13.153 1.00 24.26 C ATOM 667 H VAL A 650 -9.660 -16.951 11.450 1.00 0.00 H ATOM 668 N GLY A 651 -12.903 -16.390 8.800 1.00 23.05 N ATOM 669 CA GLY A 651 -13.120 -15.543 7.642 1.00 23.35 C ATOM 670 C GLY A 651 -13.465 -14.112 8.015 1.00 24.08 C ATOM 671 O GLY A 651 -13.895 -13.789 9.125 1.00 20.23 O ATOM 672 H GLY A 651 -13.598 -17.128 9.032 1.00 0.00 H ATOM 673 N HIS A 652 -13.283 -13.223 7.058 1.00 22.25 N ATOM 674 CA HIS A 652 -13.310 -11.794 7.344 1.00 16.69 C ATOM 675 C HIS A 652 -14.665 -11.343 7.860 1.00 22.77 C ATOM 676 O HIS A 652 -14.737 -10.610 8.846 1.00 18.98 O ATOM 677 CB HIS A 652 -12.943 -11.014 6.097 1.00 19.06 C ATOM 678 CG HIS A 652 -12.873 -9.540 6.293 1.00 15.43 C ATOM 679 ND1 HIS A 652 -11.688 -8.877 6.496 1.00 17.03 N ATOM 680 CD2 HIS A 652 -13.836 -8.593 6.283 1.00 14.95 C ATOM 681 CE1 HIS A 652 -11.920 -7.578 6.569 1.00 14.47 C ATOM 682 NE2 HIS A 652 -13.216 -7.379 6.407 1.00 15.31 N ATOM 683 H HIS A 652 -13.118 -13.547 6.084 1.00 0.00 H ATOM 684 N LYS A 653 -15.741 -11.762 7.204 1.00 22.60 N ATOM 685 CA LYS A 653 -17.093 -11.373 7.601 1.00 21.71 C ATOM 686 C LYS A 653 -17.344 -11.720 9.056 1.00 21.69 C ATOM 687 O LYS A 653 -17.964 -10.952 9.799 1.00 26.77 O ATOM 688 CB LYS A 653 -18.081 -12.165 6.735 1.00 29.62 C ATOM 689 CG LYS A 653 -19.306 -11.441 6.258 1.00 58.95 C ATOM 690 CD LYS A 653 -19.994 -12.237 5.122 1.00 59.44 C ATOM 691 CE LYS A 653 -19.087 -12.446 3.877 1.00 70.22 C ATOM 692 NZ LYS A 653 -19.822 -12.928 2.653 1.00 80.87 N ATOM 693 HZ1 LYS A 653 -20.275 -13.841 2.859 1.00 0.00 H ATOM 694 HZ2 LYS A 653 -20.548 -12.232 2.390 1.00 0.00 H ATOM 695 HZ3 LYS A 653 -19.149 -13.042 1.869 1.00 0.00 H ATOM 696 H LYS A 653 -15.618 -12.387 6.382 1.00 0.00 H ATOM 697 N GLN A 654 -16.917 -12.915 9.446 1.00 21.48 N ATOM 698 CA GLN A 654 -17.154 -13.427 10.783 1.00 23.47 C ATOM 699 C GLN A 654 -16.332 -12.659 11.806 1.00 26.62 C ATOM 700 O GLN A 654 -16.804 -12.398 12.925 1.00 21.03 O ATOM 701 CB GLN A 654 -16.804 -14.912 10.773 1.00 23.36 C ATOM 702 CG GLN A 654 -17.791 -15.791 9.965 1.00 29.92 C ATOM 703 CD GLN A 654 -17.818 -15.511 8.441 1.00 44.63 C ATOM 704 OE1 GLN A 654 -18.895 -15.472 7.836 1.00 83.71 O ATOM 705 NE2 GLN A 654 -16.642 -15.322 7.827 1.00 31.01 N ATOM 706 HE22 GLN A 654 -15.758 -15.363 8.373 1.00 0.00 H ATOM 707 HE21 GLN A 654 -16.613 -15.134 6.804 1.00 0.00 H ATOM 708 H GLN A 654 -16.394 -13.506 8.769 1.00 0.00 H ATOM 709 N VAL A 655 -15.099 -12.296 11.454 1.00 21.68 N ATOM 710 CA VAL A 655 -14.271 -11.497 12.363 1.00 16.05 C ATOM 711 C VAL A 655 -14.871 -10.116 12.554 1.00 21.21 C ATOM 712 O VAL A 655 -14.939 -9.602 13.678 1.00 20.79 O ATOM 713 CB VAL A 655 -12.798 -11.434 11.906 1.00 15.95 C ATOM 714 CG1 VAL A 655 -11.981 -10.478 12.756 1.00 21.18 C ATOM 715 CG2 VAL A 655 -12.165 -12.810 11.889 1.00 20.91 C ATOM 716 H VAL A 655 -14.721 -12.581 10.528 1.00 0.00 H ATOM 717 N VAL A 656 -15.322 -9.495 11.477 1.00 21.20 N ATOM 718 CA VAL A 656 -16.034 -8.230 11.576 1.00 16.43 C ATOM 719 C VAL A 656 -17.246 -8.379 12.487 1.00 22.73 C ATOM 720 O VAL A 656 -17.509 -7.516 13.327 1.00 25.17 O ATOM 721 CB VAL A 656 -16.414 -7.719 10.171 1.00 18.12 C ATOM 722 CG1 VAL A 656 -17.403 -6.503 10.249 1.00 19.44 C ATOM 723 CG2 VAL A 656 -15.149 -7.313 9.453 1.00 20.69 C ATOM 724 H VAL A 656 -15.165 -9.919 10.541 1.00 0.00 H ATOM 725 N GLY A 657 -18.009 -9.462 12.324 1.00 25.49 N ATOM 726 CA GLY A 657 -19.155 -9.681 13.202 1.00 22.38 C ATOM 727 C GLY A 657 -18.764 -9.733 14.662 1.00 22.33 C ATOM 728 O GLY A 657 -19.432 -9.139 15.516 1.00 25.51 O ATOM 729 H GLY A 657 -17.788 -10.148 11.574 1.00 0.00 H ATOM 730 N LEU A 658 -17.684 -10.444 14.969 1.00 20.74 N ATOM 731 CA LEU A 658 -17.247 -10.551 16.353 1.00 19.13 C ATOM 732 C LEU A 658 -16.821 -9.196 16.888 1.00 24.13 C ATOM 733 O LEU A 658 -17.084 -8.869 18.052 1.00 23.97 O ATOM 734 CB LEU A 658 -16.124 -11.583 16.461 1.00 20.48 C ATOM 735 CG LEU A 658 -16.474 -13.065 16.256 1.00 21.01 C ATOM 736 CD1 LEU A 658 -15.200 -13.894 16.152 1.00 28.72 C ATOM 737 CD2 LEU A 658 -17.347 -13.564 17.403 1.00 34.68 C ATOM 738 H LEU A 658 -17.149 -10.925 14.218 1.00 0.00 H ATOM 739 N ILE A 659 -16.154 -8.394 16.068 1.00 21.00 N ATOM 740 CA ILE A 659 -15.779 -7.041 16.459 1.00 17.39 C ATOM 741 C ILE A 659 -17.013 -6.195 16.733 1.00 23.75 C ATOM 742 O ILE A 659 -17.096 -5.488 17.751 1.00 24.45 O ATOM 743 CB ILE A 659 -14.867 -6.413 15.386 1.00 18.35 C ATOM 744 CG1 ILE A 659 -13.515 -7.114 15.399 1.00 18.83 C ATOM 745 CG2 ILE A 659 -14.632 -4.915 15.630 1.00 20.11 C ATOM 746 CD1 ILE A 659 -12.611 -6.742 14.170 1.00 19.84 C ATOM 747 H ILE A 659 -15.892 -8.739 15.123 1.00 0.00 H ATOM 748 N ARG A 660 -18.011 -6.277 15.864 1.00 24.64 N ATOM 749 CA ARG A 660 -19.195 -5.469 16.074 1.00 24.87 C ATOM 750 C ARG A 660 -19.948 -5.899 17.328 1.00 26.43 C ATOM 751 O ARG A 660 -20.546 -5.056 17.996 1.00 28.04 O ATOM 752 CB ARG A 660 -20.071 -5.525 14.817 1.00 32.12 C ATOM 753 CG ARG A 660 -19.421 -4.892 13.580 1.00 33.80 C ATOM 754 CD ARG A 660 -20.490 -4.585 12.554 1.00 51.44 C ATOM 755 NE ARG A 660 -19.997 -4.263 11.216 1.00 46.58 N ATOM 756 CZ ARG A 660 -19.405 -3.122 10.872 1.00 52.96 C ATOM 757 NH1 ARG A 660 -19.168 -2.171 11.773 1.00 53.75 N ATOM 758 NH2 ARG A 660 -19.037 -2.940 9.609 1.00 46.08 N ATOM 759 HE ARG A 660 -20.118 -4.982 10.475 1.00 0.00 H ATOM 760 HH12 ARG A 660 -18.704 -1.286 11.485 1.00 0.00 H ATOM 761 HH11 ARG A 660 -19.447 -2.313 12.765 1.00 0.00 H ATOM 762 HH22 ARG A 660 -18.573 -2.053 9.325 1.00 0.00 H ATOM 763 HH21 ARG A 660 -19.213 -3.684 8.904 1.00 0.00 H ATOM 764 H ARG A 660 -17.945 -6.912 15.043 1.00 0.00 H ATOM 765 N GLN A 661 -19.944 -7.198 17.642 1.00 24.02 N ATOM 766 CA GLN A 661 -20.664 -7.715 18.811 1.00 33.69 C ATOM 767 C GLN A 661 -20.254 -7.000 20.091 1.00 42.42 C ATOM 768 O GLN A 661 -21.079 -6.823 21.000 1.00 31.22 O ATOM 769 CB GLN A 661 -20.362 -9.212 18.937 1.00 27.39 C ATOM 770 CG GLN A 661 -21.244 -10.025 19.904 1.00 42.85 C ATOM 771 CD GLN A 661 -21.661 -11.382 19.347 1.00 66.79 C ATOM 772 OE1 GLN A 661 -21.290 -11.758 18.231 1.00 67.61 O ATOM 773 NE2 GLN A 661 -22.443 -12.124 20.131 1.00 80.09 N ATOM 774 HE22 GLN A 661 -22.732 -11.768 21.064 1.00 0.00 H ATOM 775 HE21 GLN A 661 -22.765 -13.059 19.809 1.00 0.00 H ATOM 776 H GLN A 661 -19.415 -7.861 17.040 1.00 0.00 H ATOM 777 N GLY A 662 -18.985 -6.602 20.195 1.00 27.03 N ATOM 778 CA GLY A 662 -18.492 -5.980 21.411 1.00 24.85 C ATOM 779 C GLY A 662 -18.830 -4.513 21.564 1.00 22.96 C ATOM 780 O GLY A 662 -18.555 -3.932 22.610 1.00 24.47 O ATOM 781 H GLY A 662 -18.338 -6.739 19.392 1.00 0.00 H ATOM 782 N GLY A 663 -19.377 -3.867 20.556 1.00 23.95 N ATOM 783 CA GLY A 663 -19.814 -2.499 20.733 1.00 21.74 C ATOM 784 C GLY A 663 -18.664 -1.517 20.786 1.00 24.79 C ATOM 785 O GLY A 663 -17.830 -1.461 19.869 1.00 28.73 O ATOM 786 H GLY A 663 -19.495 -4.338 19.636 1.00 0.00 H ATOM 787 N ASN A 664 -18.605 -0.725 21.859 1.00 25.40 N ATOM 788 CA ASN A 664 -17.568 0.291 21.971 1.00 25.10 C ATOM 789 C ASN A 664 -16.292 -0.227 22.618 1.00 20.77 C ATOM 790 O ASN A 664 -15.291 0.490 22.639 1.00 23.74 O ATOM 791 CB ASN A 664 -18.068 1.512 22.720 1.00 29.20 C ATOM 792 CG ASN A 664 -19.118 2.271 21.963 1.00 30.98 C ATOM 793 OD1 ASN A 664 -19.140 2.287 20.734 1.00 29.74 O ATOM 794 ND2 ASN A 664 -20.016 2.904 22.698 1.00 31.41 N ATOM 795 HD22 ASN A 664 -19.960 2.864 23.736 1.00 0.00 H ATOM 796 HD21 ASN A 664 -20.778 3.442 22.239 1.00 0.00 H ATOM 797 H ASN A 664 -19.305 -0.834 22.620 1.00 0.00 H ATOM 798 N ARG A 665 -16.264 -1.486 23.003 1.00 20.75 N ATOM 799 CA ARG A 665 -15.106 -2.084 23.631 1.00 24.90 C ATOM 800 C ARG A 665 -14.591 -3.174 22.722 1.00 22.96 C ATOM 801 O ARG A 665 -15.367 -3.980 22.192 1.00 27.07 O ATOM 802 CB ARG A 665 -15.474 -2.737 24.967 1.00 27.75 C ATOM 803 CG ARG A 665 -14.341 -3.530 25.608 1.00 41.21 C ATOM 804 CD ARG A 665 -14.904 -4.488 26.643 1.00 60.04 C ATOM 805 NE ARG A 665 -13.883 -5.115 27.490 1.00 37.73 N ATOM 806 CZ ARG A 665 -13.214 -4.464 28.437 1.00 34.64 C ATOM 807 NH1 ARG A 665 -12.323 -5.107 29.184 1.00 31.07 N ATOM 808 NH2 ARG A 665 -13.436 -3.166 28.643 1.00 38.93 N ATOM 809 HE ARG A 665 -13.671 -6.122 27.342 1.00 0.00 H ATOM 810 HH12 ARG A 665 -11.800 -4.597 29.924 1.00 0.00 H ATOM 811 HH11 ARG A 665 -12.148 -6.120 29.028 1.00 0.00 H ATOM 812 HH22 ARG A 665 -12.911 -2.660 29.385 1.00 0.00 H ATOM 813 HH21 ARG A 665 -14.134 -2.659 28.062 1.00 0.00 H ATOM 814 H ARG A 665 -17.108 -2.074 22.849 1.00 0.00 H ATOM 815 N LEU A 666 -13.275 -3.203 22.553 1.00 24.79 N ATOM 816 CA LEU A 666 -12.665 -4.230 21.740 1.00 19.76 C ATOM 817 C LEU A 666 -11.310 -4.590 22.334 1.00 18.48 C ATOM 818 O LEU A 666 -10.411 -3.744 22.389 1.00 23.63 O ATOM 819 CB LEU A 666 -12.560 -3.740 20.289 1.00 22.90 C ATOM 820 CG LEU A 666 -11.696 -4.569 19.354 1.00 20.81 C ATOM 821 CD1 LEU A 666 -12.242 -5.976 19.178 1.00 21.47 C ATOM 822 CD2 LEU A 666 -11.560 -3.883 18.000 1.00 24.93 C ATOM 823 H LEU A 666 -12.679 -2.482 23.008 1.00 0.00 H ATOM 824 N VAL A 667 -11.144 -5.857 22.683 1.00 17.60 N ATOM 825 CA VAL A 667 -9.883 -6.388 23.167 1.00 20.99 C ATOM 826 C VAL A 667 -9.290 -7.196 22.022 1.00 22.69 C ATOM 827 O VAL A 667 -9.879 -8.198 21.583 1.00 24.24 O ATOM 828 CB VAL A 667 -10.074 -7.238 24.438 1.00 22.58 C ATOM 829 CG1 VAL A 667 -8.744 -7.789 24.912 1.00 21.68 C ATOM 830 CG2 VAL A 667 -10.767 -6.422 25.558 1.00 23.39 C ATOM 831 H VAL A 667 -11.956 -6.502 22.607 1.00 0.00 H ATOM 832 N MET A 668 -8.135 -6.775 21.516 1.00 25.11 N ATOM 833 CA MET A 668 -7.539 -7.403 20.339 1.00 24.15 C ATOM 834 C MET A 668 -6.115 -7.837 20.645 1.00 26.48 C ATOM 835 O MET A 668 -5.272 -7.007 21.002 1.00 25.42 O ATOM 836 CB MET A 668 -7.551 -6.454 19.141 1.00 27.09 C ATOM 837 CG MET A 668 -8.864 -6.455 18.396 1.00 34.58 C ATOM 838 SD MET A 668 -8.773 -5.762 16.737 1.00 36.78 S ATOM 839 CE MET A 668 -7.933 -4.207 17.025 1.00 48.65 C ATOM 840 H MET A 668 -7.643 -5.979 21.969 1.00 0.00 H ATOM 841 N LYS A 669 -5.845 -9.129 20.478 1.00 23.51 N ATOM 842 CA LYS A 669 -4.489 -9.645 20.524 1.00 21.01 C ATOM 843 C LYS A 669 -3.936 -9.675 19.109 1.00 18.89 C ATOM 844 O LYS A 669 -4.626 -10.110 18.171 1.00 22.60 O ATOM 845 CB LYS A 669 -4.460 -11.035 21.161 1.00 18.35 C ATOM 846 CG LYS A 669 -3.104 -11.549 21.409 1.00 29.40 C ATOM 847 CD LYS A 669 -3.169 -12.812 22.320 1.00 56.79 C ATOM 848 CE LYS A 669 -4.008 -12.631 23.626 1.00 73.50 C ATOM 849 NZ LYS A 669 -3.274 -12.960 24.872 1.00 81.34 N ATOM 850 HZ1 LYS A 669 -2.968 -13.954 24.841 1.00 0.00 H ATOM 851 HZ2 LYS A 669 -2.441 -12.342 24.956 1.00 0.00 H ATOM 852 HZ3 LYS A 669 -3.899 -12.814 25.690 1.00 0.00 H ATOM 853 H LYS A 669 -6.630 -9.790 20.309 1.00 0.00 H ATOM 854 N VAL A 670 -2.710 -9.168 18.945 1.00 21.38 N ATOM 855 CA VAL A 670 -2.090 -9.058 17.627 1.00 21.26 C ATOM 856 C VAL A 670 -0.641 -9.526 17.677 1.00 22.12 C ATOM 857 O VAL A 670 -0.013 -9.615 18.742 1.00 26.09 O ATOM 858 CB VAL A 670 -2.141 -7.622 17.036 1.00 25.23 C ATOM 859 CG1 VAL A 670 -3.577 -7.080 16.968 1.00 25.43 C ATOM 860 CG2 VAL A 670 -1.237 -6.676 17.823 1.00 31.63 C ATOM 861 H VAL A 670 -2.182 -8.842 19.780 1.00 0.00 H ATOM 862 N VAL A 671 -0.102 -9.796 16.502 1.00 25.22 N ATOM 863 CA VAL A 671 1.323 -10.049 16.341 1.00 31.56 C ATOM 864 C VAL A 671 1.844 -9.125 15.248 1.00 40.85 C ATOM 865 O VAL A 671 1.193 -8.955 14.213 1.00 29.16 O ATOM 866 CB VAL A 671 1.608 -11.525 16.002 1.00 38.29 C ATOM 867 CG1 VAL A 671 1.171 -12.405 17.143 1.00 48.54 C ATOM 868 CG2 VAL A 671 0.893 -11.939 14.763 1.00 40.86 C ATOM 869 H VAL A 671 -0.716 -9.829 15.663 1.00 0.00 H ATOM 870 N SER A 672 2.988 -8.495 15.492 1.00 47.13 N ATOM 871 CA SER A 672 3.644 -7.684 14.473 1.00 49.49 C ATOM 872 C SER A 672 4.574 -8.596 13.687 1.00 59.28 C ATOM 873 O SER A 672 5.531 -9.145 14.242 1.00 76.61 O ATOM 874 CB SER A 672 4.419 -6.528 15.098 1.00 46.15 C ATOM 875 OG SER A 672 3.556 -5.619 15.765 1.00 56.56 O ATOM 876 HG SER A 672 2.907 -5.246 15.117 1.00 0.00 H ATOM 877 H SER A 672 3.426 -8.582 16.431 1.00 0.00 H ATOM 878 N VAL A 673 4.275 -8.778 12.399 1.00 65.24 N ATOM 879 CA VAL A 673 5.163 -9.533 11.525 1.00 66.26 C ATOM 880 C VAL A 673 6.460 -8.790 11.252 1.00 72.29 C ATOM 881 O VAL A 673 7.378 -9.365 10.656 1.00 78.41 O ATOM 882 CB VAL A 673 4.433 -9.879 10.210 1.00 79.03 C ATOM 883 CG1 VAL A 673 4.134 -8.609 9.405 1.00 83.10 C ATOM 884 CG2 VAL A 673 5.237 -10.877 9.389 1.00 71.86 C ATOM 885 H VAL A 673 3.397 -8.376 12.014 1.00 0.00 H ATOM 886 N THR A 674 6.558 -7.529 11.675 1.00110.60 N ATOM 887 CA THR A 674 7.764 -6.720 11.480 1.00116.68 C ATOM 888 C THR A 674 8.984 -7.308 12.188 1.00116.09 C ATOM 889 O THR A 674 8.942 -7.643 13.374 1.00110.65 O ATOM 890 CB THR A 674 7.569 -5.268 11.992 1.00106.54 C ATOM 891 OG1 THR A 674 6.713 -5.269 13.141 1.00105.55 O ATOM 892 CG2 THR A 674 6.978 -4.374 10.908 1.00100.01 C ATOM 893 OXT THR A 674 10.052 -7.442 11.583 1.00121.14 O ATOM 894 HG1 THR A 674 6.593 -4.340 13.462 1.00 0.00 H ATOM 895 H THR A 674 5.745 -7.102 12.163 1.00 0.00 H TER 896 THR A 674 HETATM 897 O HOH 1 -18.934 -19.131 9.783 1.00 41.68 O HETATM 898 O HOH 2 -11.842 8.012 22.212 1.00 48.41 O HETATM 899 O HOH 3 -2.109 -29.977 5.422 1.00 43.35 O HETATM 900 O HOH 4 3.491 -22.814 12.374 1.00 34.39 O HETATM 901 O HOH 5 -9.146 3.875 9.608 1.00 40.36 O HETATM 902 O HOH 6 -6.259 1.247 4.410 1.00 28.25 O HETATM 903 O HOH 7 -10.888 6.291 23.796 1.00 53.53 O HETATM 904 O HOH 8 -6.270 4.630 15.083 1.00 27.02 O HETATM 905 O HOH 9 -17.788 -2.800 17.600 1.00 27.81 O HETATM 906 O HOH 10 -1.082 4.391 24.690 1.00 28.97 O HETATM 907 O HOH 11 -16.924 -10.319 20.275 1.00 25.56 O HETATM 908 O HOH 12 2.916 -4.344 12.249 1.00 38.05 O HETATM 909 O HOH 13 -16.574 10.818 14.799 1.00 33.56 O HETATM 910 O HOH 14 -5.456 10.521 11.062 1.00 44.33 O HETATM 911 O HOH 15 -15.492 -5.700 20.063 1.00 25.81 O HETATM 912 O HOH 16 -10.583 6.199 16.249 1.00 29.17 O HETATM 913 O HOH 17 -0.004 -6.626 25.685 1.00 40.57 O HETATM 914 O HOH 18 -6.961 4.151 22.626 1.00 27.48 O HETATM 915 O HOH 19 -8.891 -19.546 14.386 1.00 23.93 O HETATM 916 O HOH 20 -20.560 -0.926 23.909 1.00 39.70 O HETATM 917 O HOH 21 -7.221 -13.284 11.662 1.00 20.10 O HETATM 918 O HOH 22 -8.901 -10.863 22.639 1.00 20.91 O HETATM 919 O HOH 23 -10.206 -18.523 21.858 1.00 28.74 O HETATM 920 O HOH 24 -6.544 -21.919 15.516 1.00 44.11 O HETATM 921 O HOH 25 -18.092 -5.651 24.839 1.00 35.63 O HETATM 922 O HOH 26 -6.811 -11.263 24.221 1.00 29.95 O HETATM 923 O HOH 27 -6.639 3.370 9.080 1.00 31.51 O HETATM 924 O HOH 28 -8.796 2.823 24.180 1.00 26.79 O HETATM 925 O HOH 29 0.881 -11.796 20.766 1.00 42.46 O HETATM 926 O HOH 30 -16.216 -11.929 24.356 1.00 27.36 O HETATM 927 O HOH 31 -5.450 -13.170 4.017 1.00 34.79 O HETATM 928 O HOH 32 0.864 2.415 11.535 1.00 43.68 O HETATM 929 O HOH 33 -15.895 -13.815 5.105 1.00 37.45 O HETATM 930 O HOH 34 -15.323 -18.067 8.719 1.00 57.11 O HETATM 931 O HOH 35 -22.413 -5.289 23.146 1.00 51.63 O HETATM 932 O HOH 36 -19.264 -13.567 14.083 1.00 61.14 O HETATM 933 O HOH 37 -12.944 -8.006 29.364 1.00 34.72 O HETATM 934 O HOH 38 -7.655 -18.834 21.989 1.00 40.52 O HETATM 935 O HOH 39 4.221 -9.433 18.141 1.00 40.17 O HETATM 936 O HOH 40 -20.176 2.460 25.807 1.00 38.38 O HETATM 937 O HOH 41 -19.070 -9.438 21.762 1.00 32.91 O HETATM 938 O HOH 42 -21.375 -9.809 22.728 1.00 36.30 O HETATM 939 O HOH 43 -0.243 -3.429 5.356 1.00 48.80 O HETATM 940 O HOH 44 1.405 4.666 21.548 1.00 53.49 O HETATM 941 O HOH 45 -17.900 -1.584 15.071 1.00 40.32 O HETATM 942 O HOH 46 1.977 -3.222 6.505 1.00 79.52 O HETATM 943 O HOH 47 -1.640 -4.076 3.172 1.00 48.79 O HETATM 944 O HOH 48 -1.977 -9.713 0.554 1.00 60.22 O HETATM 945 O HOH 49 0.432 -0.249 25.037 1.00 50.10 O HETATM 946 O HOH 50 -17.645 -9.223 24.185 1.00 44.81 O HETATM 947 O HOH 51 -4.673 2.698 25.037 1.00 30.25 O HETATM 948 O HOH 52 -19.390 -8.575 3.679 1.00 49.97 O HETATM 949 O HOH 53 -0.328 -7.692 -0.237 1.00 53.78 O HETATM 950 O HOH 54 1.148 -7.947 5.095 1.00 49.42 O HETATM 951 O HOH 55 -4.837 -18.642 2.291 1.00 44.97 O HETATM 952 O HOH 56 -16.445 0.760 13.924 1.00 36.62 O HETATM 953 O HOH 57 -11.626 2.976 10.382 1.00 30.82 O HETATM 954 O HOH 58 -10.544 -16.051 0.363 1.00 47.19 O HETATM 955 O HOH 59 -17.155 -5.664 5.292 1.00 53.03 O HETATM 956 O HOH 60 -15.752 -0.250 5.291 1.00 32.40 O HETATM 957 O HOH 61 -5.683 -13.905 1.990 1.00 46.34 O HETATM 958 O HOH 62 -13.759 0.263 3.282 1.00 35.29 O HETATM 959 O HOH 63 -5.167 -10.858 -3.181 1.00 41.45 O HETATM 960 C ACE A 64 -10.207 -12.730 -0.962 1.00 0.18 C HETATM 961 O ACE A 64 -10.335 -13.513 -0.025 1.00 -0.40 O HETATM 962 CH3 ACE A 64 -10.209 -13.234 -2.376 1.00 0.03 C HETATM 963 H1 ACE A 64 -10.083 -12.387 -3.067 1.00 0.05 H HETATM 964 H2 ACE A 64 -11.164 -13.739 -2.584 1.00 0.05 H HETATM 965 H3 ACE A 64 -9.381 -13.945 -2.513 1.00 0.05 H HETATM 966 N ACE A 64 -10.045 -11.426 -0.871 1.00 -0.27 N HETATM 967 CA ACE A 64 -10.020 -10.761 0.409 1.00 0.13 C HETATM 968 C ACE A 64 -11.113 -9.696 0.491 1.00 0.20 C HETATM 969 O ACE A 64 -11.622 -9.190 -0.493 1.00 -0.39 O HETATM 970 N ACE A 64 -11.469 -9.372 1.727 1.00 -0.26 N HETATM 971 CA ACE A 64 -12.336 -8.253 2.054 1.00 0.13 C HETATM 972 C ACE A 64 -11.544 -7.203 2.817 1.00 0.20 C HETATM 973 O ACE A 64 -10.514 -7.492 3.437 1.00 -0.39 O HETATM 974 N ACE A 64 -12.052 -5.975 2.774 1.00 -0.26 N HETATM 975 CA ACE A 64 -11.438 -4.830 3.452 1.00 0.13 C HETATM 976 C ACE A 64 -12.562 -4.027 4.089 1.00 0.20 C HETATM 977 O ACE A 64 -13.511 -3.623 3.400 1.00 -0.39 O HETATM 978 N ACE A 64 -12.483 -3.827 5.418 1.00 -0.26 N HETATM 979 CA ACE A 64 -13.517 -3.134 6.170 1.00 0.16 C HETATM 980 C ACE A 64 -12.905 -2.051 7.043 1.00 0.21 C HETATM 981 O ACE A 64 -11.958 -2.314 7.795 1.00 -0.39 O HETATM 982 N ACE A 64 -13.481 -0.851 6.987 1.00 -0.26 N HETATM 983 CA ACE A 64 -13.081 0.243 7.876 1.00 0.15 C HETATM 984 C ACE A 64 -13.853 0.133 9.182 1.00 0.21 C HETATM 985 O ACE A 64 -15.082 0.049 9.166 1.00 -0.39 O HETATM 986 N ACE A 64 -13.136 0.113 10.316 1.00 -0.27 N HETATM 987 CA ACE A 64 -13.755 -0.111 11.626 1.00 0.09 C HETATM 988 C ACE A 64 -13.336 0.938 12.623 1.00 0.06 C HETATM 989 O ACE A 64 -13.982 1.036 13.690 1.00 -0.57 O HETATM 990 OXT ACE A 64 -12.355 1.675 12.434 1.00 -0.57 O HETATM 991 CB ACE A 64 -13.392 -1.506 12.149 1.00 -0.02 C HETATM 992 CG ACE A 64 -14.013 -2.619 11.314 1.00 -0.04 C HETATM 993 CD1 ACE A 64 -13.371 -3.935 11.654 1.00 -0.06 C HETATM 994 H49 ACE A 64 -13.825 -4.732 11.047 1.00 0.02 H HETATM 995 H50 ACE A 64 -13.525 -4.154 12.721 1.00 0.02 H HETATM 996 H51 ACE A 64 -12.293 -3.882 11.443 1.00 0.02 H HETATM 997 CD2 ACE A 64 -15.531 -2.690 11.528 1.00 -0.06 C HETATM 998 H52 ACE A 64 -15.983 -1.720 11.275 1.00 0.02 H HETATM 999 H53 ACE A 64 -15.742 -2.929 12.581 1.00 0.02 H HETATM 1000 H54 ACE A 64 -15.956 -3.472 10.882 1.00 0.02 H HETATM 1001 H48 ACE A 64 -13.824 -2.402 10.252 1.00 0.03 H HETATM 1002 H46 ACE A 64 -13.751 -1.599 13.185 1.00 0.03 H HETATM 1003 H47 ACE A 64 -12.298 -1.617 12.128 1.00 0.03 H HETATM 1004 H45 ACE A 64 -14.847 -0.056 11.505 1.00 0.07 H HETATM 1005 H44 ACE A 64 -12.148 0.256 10.266 1.00 0.19 H HETATM 1006 CB ACE A 64 -13.413 1.578 7.205 1.00 0.08 C HETATM 1007 OG ACE A 64 -13.016 2.688 7.989 1.00 -0.39 O HETATM 1008 H43 ACE A 64 -12.077 2.655 8.130 1.00 0.21 H HETATM 1009 H41 ACE A 64 -14.499 1.631 7.042 1.00 0.06 H HETATM 1010 H42 ACE A 64 -12.894 1.626 6.236 1.00 0.06 H HETATM 1011 H40 ACE A 64 -12.001 0.185 8.076 1.00 0.08 H HETATM 1012 H39 ACE A 64 -14.208 -0.692 6.319 1.00 0.19 H HETATM 1013 CB ACE A 64 -14.287 -4.130 7.024 1.00 0.09 C HETATM 1014 OG1 ACE A 64 -14.735 -5.209 6.193 1.00 -0.39 O HETATM 1015 H35 ACE A 64 -13.984 -5.637 5.799 1.00 0.21 H HETATM 1016 CG2 ACE A 64 -15.497 -3.452 7.687 1.00 -0.03 C HETATM 1017 H36 ACE A 64 -16.040 -4.188 8.299 1.00 0.03 H HETATM 1018 H37 ACE A 64 -16.167 -3.056 6.910 1.00 0.03 H HETATM 1019 H38 ACE A 64 -15.150 -2.627 8.327 1.00 0.03 H HETATM 1020 H34 ACE A 64 -13.623 -4.524 7.807 1.00 0.06 H HETATM 1021 H33 ACE A 64 -14.214 -2.662 5.461 1.00 0.08 H HETATM 1022 H32 ACE A 64 -11.681 -4.169 5.908 1.00 0.19 H HETATM 1023 CB ACE A 64 -10.627 -3.929 2.499 1.00 -0.01 C HETATM 1024 CG1 ACE A 64 -9.915 -2.814 3.304 1.00 -0.06 C HETATM 1025 H26 ACE A 64 -9.339 -2.176 2.617 1.00 0.02 H HETATM 1026 H27 ACE A 64 -9.235 -3.269 4.038 1.00 0.02 H HETATM 1027 H28 ACE A 64 -10.665 -2.204 3.828 1.00 0.02 H HETATM 1028 CG2 ACE A 64 -9.619 -4.761 1.675 1.00 -0.06 C HETATM 1029 H29 ACE A 64 -10.157 -5.542 1.117 1.00 0.02 H HETATM 1030 H30 ACE A 64 -8.891 -5.231 2.353 1.00 0.02 H HETATM 1031 H31 ACE A 64 -9.091 -4.103 0.969 1.00 0.02 H HETATM 1032 H25 ACE A 64 -11.327 -3.452 1.797 1.00 0.03 H HETATM 1033 H24 ACE A 64 -10.762 -5.202 4.236 1.00 0.08 H HETATM 1034 H23 ACE A 64 -12.893 -5.826 2.254 1.00 0.19 H HETATM 1035 CB ACE A 64 -13.498 -8.691 2.949 1.00 -0.01 C HETATM 1036 CG ACE A 64 -14.737 -9.257 2.272 1.00 -0.04 C HETATM 1037 CD1 ACE A 64 -14.411 -10.595 1.643 1.00 -0.06 C HETATM 1038 H17 ACE A 64 -15.310 -10.999 1.155 1.00 0.02 H HETATM 1039 H18 ACE A 64 -14.071 -11.293 2.422 1.00 0.02 H HETATM 1040 H19 ACE A 64 -13.615 -10.464 0.895 1.00 0.02 H HETATM 1041 CD2 ACE A 64 -15.870 -9.381 3.282 1.00 -0.06 C HETATM 1042 H20 ACE A 64 -16.081 -8.394 3.719 1.00 0.02 H HETATM 1043 H21 ACE A 64 -15.576 -10.080 4.079 1.00 0.02 H HETATM 1044 H22 ACE A 64 -16.771 -9.759 2.777 1.00 0.02 H HETATM 1045 H16 ACE A 64 -15.053 -8.566 1.477 1.00 0.03 H HETATM 1046 H14 ACE A 64 -13.814 -7.813 3.531 1.00 0.03 H HETATM 1047 H15 ACE A 64 -13.114 -9.464 3.631 1.00 0.03 H HETATM 1048 H13 ACE A 64 -12.732 -7.820 1.123 1.00 0.08 H HETATM 1049 H12 ACE A 64 -11.120 -9.931 2.479 1.00 0.19 H HETATM 1050 CB ACE A 64 -8.657 -10.080 0.649 1.00 0.00 C HETATM 1051 CG ACE A 64 -7.465 -11.000 0.669 1.00 0.04 C HETATM 1052 CD ACE A 64 -6.174 -10.282 0.930 1.00 0.17 C HETATM 1053 OE1 ACE A 64 -5.907 -9.233 0.369 1.00 -0.40 O HETATM 1054 NE2 ACE A 64 -5.364 -10.838 1.816 1.00 -0.30 N HETATM 1055 H10 ACE A 64 -4.488 -10.406 2.033 1.00 0.18 H HETATM 1056 H11 ACE A 64 -5.627 -11.690 2.269 1.00 0.18 H HETATM 1057 H8 ACE A 64 -7.395 -11.504 -0.306 1.00 0.05 H HETATM 1058 H9 ACE A 64 -7.615 -11.750 1.459 1.00 0.05 H HETATM 1059 H6 ACE A 64 -8.703 -9.564 1.619 1.00 0.03 H HETATM 1060 H7 ACE A 64 -8.502 -9.342 -0.152 1.00 0.03 H HETATM 1061 H5 ACE A 64 -10.190 -11.511 1.196 1.00 0.08 H HETATM 1062 H4 ACE A 64 -9.937 -10.886 -1.706 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 960 961 962 966 CONECT 961 960 CONECT 962 960 963 964 965 CONECT 963 962 CONECT 964 962 CONECT 965 962 CONECT 966 960 967 1062 CONECT 967 966 968 1050 1061 CONECT 968 967 969 970 CONECT 969 968 CONECT 970 968 971 1049 CONECT 971 970 972 1035 1048 CONECT 972 971 973 974 CONECT 973 972 CONECT 974 972 975 1034 CONECT 975 974 976 1023 1033 CONECT 976 975 977 978 CONECT 977 976 CONECT 978 976 979 1022 CONECT 979 978 980 1013 1021 CONECT 980 979 981 982 CONECT 981 980 CONECT 982 980 983 1012 CONECT 983 982 984 1006 1011 CONECT 984 983 985 986 CONECT 985 984 CONECT 986 984 987 1005 CONECT 987 986 988 991 1004 CONECT 988 987 989 990 CONECT 989 988 CONECT 990 988 CONECT 991 987 992 1002 1003 CONECT 992 991 993 997 1001 CONECT 993 992 994 995 996 CONECT 994 993 CONECT 995 993 CONECT 996 993 CONECT 997 992 998 999 1000 CONECT 998 997 CONECT 999 997 CONECT 1000 997 CONECT 1001 992 CONECT 1002 991 CONECT 1003 991 CONECT 1004 987 CONECT 1005 986 CONECT 1006 983 1007 1009 1010 CONECT 1007 1006 1008 CONECT 1008 1007 CONECT 1009 1006 CONECT 1010 1006 CONECT 1011 983 CONECT 1012 982 CONECT 1013 979 1014 1016 1020 CONECT 1014 1013 1015 CONECT 1015 1014 CONECT 1016 1013 1017 1018 1019 CONECT 1017 1016 CONECT 1018 1016 CONECT 1019 1016 CONECT 1020 1013 CONECT 1021 979 CONECT 1022 978 CONECT 1023 975 1024 1028 1032 CONECT 1024 1023 1025 1026 1027 CONECT 1025 1024 CONECT 1026 1024 CONECT 1027 1024 CONECT 1028 1023 1029 1030 1031 CONECT 1029 1028 CONECT 1030 1028 CONECT 1031 1028 CONECT 1032 1023 CONECT 1033 975 CONECT 1034 974 CONECT 1035 971 1036 1046 1047 CONECT 1036 1035 1037 1041 1045 CONECT 1037 1036 1038 1039 1040 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1037 CONECT 1041 1036 1042 1043 1044 CONECT 1042 1041 CONECT 1043 1041 CONECT 1044 1041 CONECT 1045 1036 CONECT 1046 1035 CONECT 1047 1035 CONECT 1048 971 CONECT 1049 970 CONECT 1050 967 1051 1059 1060 CONECT 1051 1050 1052 1057 1058 CONECT 1052 1051 1053 1054 CONECT 1053 1052 CONECT 1054 1052 1055 1056 CONECT 1055 1054 CONECT 1056 1054 CONECT 1057 1051 CONECT 1058 1051 CONECT 1059 1050 CONECT 1060 1050 CONECT 1061 967 CONECT 1062 966 MASTER 0 0 0 0 0 0 0 0 1061 1 107 8 END
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1okw
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1slg
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1tze
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2er6
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2nmb
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2pv1
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2q3z
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2w6u
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2zlf
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PDBbind
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4aif
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4dvf
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4ezw
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4ezx
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4ezy
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5w38
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PDBbind
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5wxg
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Entry Information
PDB ID
5ovp
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
SH3 and multiple ankyrin repeat domains protein 3
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=9.1uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Neurochem. Vol. 145: pp. 449-463
Ligand Properties
Formula
C
3
1
H
5
5
N
7
O
1
1
Molecular Weight
701.809
Exact Mass
701.396
No. of atoms
104
No. of bonds
103
Polar Surface Area
295.45
LOGP Value
-0.07 (
Computed with XLOGP3
)
0.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCC(=O)N)CC(C)C
InChI String
InChI=1S/C31H55N7O11/c1-14(2)11-20(34-26(43)19(33-18(8)41)9-10-23(32)42)27(44)37-24(16(5)6)29(46)38-25(17(7)40)30(47)36-22(13-39)28(45)35-21(31(48)49)12-15(3)4/h14-17,19-22,24-25,39-40H,9-13H2,1-8H3,(H2,32,42)(H,33,41)(H,34,43)(H,35,45)(H,36,47)(H,37,44)(H,38,46)(H,48,49)/t17-,19+,20+,21+,22+,24+,25+/m1/s1
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):
O88917
Q9JLU4
Entrez Gene ID
NCBI Entrez Gene ID:
65096
59312
ASD
Information of known allosteric effects of PDB entries
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