Browse entries in the PDBbind-CN Database
HEADER 1FF1_COMPLEX COMPND 1FF1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 PRO TRP ALA VAL LYS PRO GLU ASP LYS ALA LYS TYR ASP SEQRES 2 A 95 ALA ILE PHE ASP SER LEU SER PRO VAL ASN GLY PHE LEU SEQRES 3 A 95 SER GLY ASP LYS VAL LYS PRO VAL LEU LEU ASN SER LYS SEQRES 4 A 95 LEU PRO VAL ASP ILE LEU GLY ARG VAL TRP GLU LEU SER SEQRES 5 A 95 ASP ILE ASP HIS ASP GLY MET LEU ASP ARG ASP GLU PHE SEQRES 6 A 95 ALA VAL ALA MET PHE LEU VAL TYR CYS ALA LEU GLU LYS SEQRES 7 A 95 GLU PRO VAL PRO MET SER LEU PRO PRO ALA LEU VAL PRO SEQRES 8 A 95 PRO SER LYS ARG HET CA A 1 1 HET SER A 97 95 ATOM 1 N PRO A 6 3.811 4.958 -23.478 1.00 0.00 N ATOM 2 CA PRO A 6 2.437 5.295 -23.029 1.00 0.00 C ATOM 3 C PRO A 6 2.307 5.113 -21.515 1.00 0.00 C ATOM 4 O PRO A 6 3.276 4.869 -20.823 1.00 0.00 O ATOM 5 CB PRO A 6 1.562 4.290 -23.771 1.00 0.00 C ATOM 6 CG PRO A 6 2.461 3.131 -24.059 1.00 0.00 C ATOM 7 CD PRO A 6 3.862 3.674 -24.185 1.00 0.00 C ATOM 8 HA PRO A 6 2.162 6.329 -23.235 1.00 0.00 H ATOM 9 HD3 PRO A 6 4.582 3.002 -23.717 1.00 0.00 H ATOM 10 HD2 PRO A 6 4.129 3.818 -25.232 1.00 0.00 H ATOM 11 HG3 PRO A 6 2.162 2.648 -24.989 1.00 0.00 H ATOM 12 HG2 PRO A 6 2.412 2.408 -23.244 1.00 0.00 H ATOM 13 HB2 PRO A 6 0.723 3.979 -23.148 1.00 0.00 H ATOM 14 HB3 PRO A 6 1.184 4.722 -24.698 1.00 0.00 H ATOM 15 N TRP A 7 1.114 5.225 -20.998 1.00 0.00 N ATOM 16 CA TRP A 7 0.916 5.054 -19.531 1.00 0.00 C ATOM 17 C TRP A 7 0.772 3.567 -19.197 1.00 0.00 C ATOM 18 O TRP A 7 -0.109 2.892 -19.692 1.00 0.00 O ATOM 19 CB TRP A 7 -0.380 5.801 -19.211 1.00 0.00 C ATOM 20 CG TRP A 7 -0.622 5.759 -17.738 1.00 0.00 C ATOM 21 CD1 TRP A 7 0.304 5.416 -16.818 1.00 0.00 C ATOM 22 CD2 TRP A 7 -1.842 6.061 -17.000 1.00 0.00 C ATOM 23 NE1 TRP A 7 -0.267 5.485 -15.559 1.00 0.00 N ATOM 24 CE2 TRP A 7 -1.589 5.879 -15.619 1.00 0.00 C ATOM 25 CE3 TRP A 7 -3.130 6.471 -17.388 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -2.578 6.094 -14.658 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -4.127 6.689 -16.424 1.00 0.00 C ATOM 28 CH2 TRP A 7 -3.851 6.501 -15.062 1.00 0.00 C ATOM 29 HA TRP A 7 1.756 5.437 -18.952 1.00 0.00 H ATOM 30 HB2 TRP A 7 -0.293 6.838 -19.537 1.00 0.00 H ATOM 31 HB3 TRP A 7 -1.212 5.326 -19.731 1.00 0.00 H ATOM 32 HE1 TRP A 7 0.238 5.267 -14.676 1.00 0.00 H ATOM 33 HD1 TRP A 7 1.334 5.131 -17.032 1.00 0.00 H ATOM 34 HZ2 TRP A 7 -2.358 5.945 -13.601 1.00 0.00 H ATOM 35 HH2 TRP A 7 -4.630 6.673 -14.319 1.00 0.00 H ATOM 36 HZ3 TRP A 7 -5.122 7.006 -16.736 1.00 0.00 H ATOM 37 HE3 TRP A 7 -3.356 6.620 -18.444 1.00 0.00 H ATOM 38 H TRP A 7 0.300 5.434 -21.611 1.00 0.00 H ATOM 39 N ALA A 8 1.632 3.054 -18.364 1.00 0.00 N ATOM 40 CA ALA A 8 1.552 1.611 -17.998 1.00 0.00 C ATOM 41 C ALA A 8 0.094 1.202 -17.771 1.00 0.00 C ATOM 42 O ALA A 8 -0.277 0.060 -17.958 1.00 0.00 O ATOM 43 CB ALA A 8 2.356 1.491 -16.706 1.00 0.00 C ATOM 44 HA ALA A 8 1.941 0.960 -18.781 1.00 0.00 H ATOM 45 HB1 ALA A 8 3.384 1.806 -16.888 1.00 0.00 H ATOM 46 HB2 ALA A 8 1.910 2.127 -15.942 1.00 0.00 H ATOM 47 HB3 ALA A 8 2.346 0.455 -16.369 1.00 0.00 H ATOM 48 H ALA A 8 2.377 3.653 -17.953 1.00 0.00 H ATOM 49 N VAL A 9 -0.736 2.128 -17.379 1.00 0.00 N ATOM 50 CA VAL A 9 -2.170 1.791 -17.153 1.00 0.00 C ATOM 51 C VAL A 9 -2.987 2.159 -18.395 1.00 0.00 C ATOM 52 O VAL A 9 -2.547 2.922 -19.231 1.00 0.00 O ATOM 53 CB VAL A 9 -2.595 2.638 -15.953 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.121 2.680 -15.869 1.00 0.00 C ATOM 55 CG2 VAL A 9 -2.032 2.017 -14.672 1.00 0.00 C ATOM 56 HA VAL A 9 -2.327 0.728 -16.968 1.00 0.00 H ATOM 57 HB VAL A 9 -2.212 3.652 -16.069 1.00 0.00 H ATOM 58 HG11 VAL A 9 -4.522 3.119 -16.783 1.00 0.00 H ATOM 59 HG12 VAL A 9 -4.505 1.667 -15.752 1.00 0.00 H ATOM 60 HG13 VAL A 9 -4.420 3.284 -15.013 1.00 0.00 H ATOM 61 HG21 VAL A 9 -2.419 1.004 -14.560 1.00 0.00 H ATOM 62 HG22 VAL A 9 -0.944 1.987 -14.732 1.00 0.00 H ATOM 63 HG23 VAL A 9 -2.334 2.619 -13.815 1.00 0.00 H ATOM 64 H VAL A 9 -0.398 3.099 -17.224 1.00 0.00 H ATOM 65 N LYS A 10 -4.167 1.619 -18.531 1.00 0.00 N ATOM 66 CA LYS A 10 -4.993 1.940 -19.729 1.00 0.00 C ATOM 67 C LYS A 10 -6.299 2.626 -19.317 1.00 0.00 C ATOM 68 O LYS A 10 -6.565 2.807 -18.145 1.00 0.00 O ATOM 69 CB LYS A 10 -5.281 0.588 -20.383 1.00 0.00 C ATOM 70 CG LYS A 10 -4.553 0.504 -21.727 1.00 0.00 C ATOM 71 CD LYS A 10 -5.221 -0.559 -22.603 1.00 0.00 C ATOM 72 CE LYS A 10 -4.644 -0.493 -24.021 1.00 0.00 C ATOM 73 NZ LYS A 10 -5.821 -0.266 -24.905 1.00 0.00 N ATOM 74 HA LYS A 10 -4.482 2.624 -20.406 1.00 0.00 H ATOM 75 HB2 LYS A 10 -4.933 -0.213 -19.731 1.00 0.00 H ATOM 76 HB3 LYS A 10 -6.354 0.483 -20.544 1.00 0.00 H ATOM 77 HG2 LYS A 10 -4.601 1.471 -22.228 1.00 0.00 H ATOM 78 HG3 LYS A 10 -3.510 0.235 -21.560 1.00 0.00 H ATOM 79 HD2 LYS A 10 -5.035 -1.547 -22.181 1.00 0.00 H ATOM 80 HD3 LYS A 10 -6.295 -0.377 -22.639 1.00 0.00 H ATOM 81 HE2 LYS A 10 -4.147 -1.429 -24.277 1.00 0.00 H ATOM 82 HE3 LYS A 10 -3.934 0.330 -24.108 1.00 0.00 H ATOM 83 HZ1 LYS A 10 -6.490 -1.055 -24.798 1.00 0.00 H ATOM 84 HZ2 LYS A 10 -6.287 0.624 -24.638 1.00 0.00 H ATOM 85 HZ3 LYS A 10 -5.504 -0.210 -25.894 1.00 0.00 H ATOM 86 H LYS A 10 -4.530 0.967 -17.806 1.00 0.00 H ATOM 87 N PRO A 11 -7.071 2.980 -20.307 1.00 0.00 N ATOM 88 CA PRO A 11 -8.370 3.652 -20.063 1.00 0.00 C ATOM 89 C PRO A 11 -9.388 2.649 -19.520 1.00 0.00 C ATOM 90 O PRO A 11 -10.215 2.974 -18.690 1.00 0.00 O ATOM 91 CB PRO A 11 -8.782 4.147 -21.445 1.00 0.00 C ATOM 92 CG PRO A 11 -8.075 3.248 -22.408 1.00 0.00 C ATOM 93 CD PRO A 11 -6.807 2.788 -21.736 1.00 0.00 C ATOM 94 HA PRO A 11 -8.308 4.456 -19.330 1.00 0.00 H ATOM 95 HD3 PRO A 11 -6.611 1.739 -21.956 1.00 0.00 H ATOM 96 HD2 PRO A 11 -5.958 3.391 -22.057 1.00 0.00 H ATOM 97 HG3 PRO A 11 -7.838 3.792 -23.322 1.00 0.00 H ATOM 98 HG2 PRO A 11 -8.703 2.390 -22.649 1.00 0.00 H ATOM 99 HB2 PRO A 11 -9.862 4.071 -21.573 1.00 0.00 H ATOM 100 HB3 PRO A 11 -8.472 5.182 -21.589 1.00 0.00 H ATOM 101 N GLU A 12 -9.333 1.432 -19.981 1.00 0.00 N ATOM 102 CA GLU A 12 -10.294 0.403 -19.492 1.00 0.00 C ATOM 103 C GLU A 12 -9.826 -0.150 -18.144 1.00 0.00 C ATOM 104 O GLU A 12 -10.616 -0.600 -17.336 1.00 0.00 O ATOM 105 CB GLU A 12 -10.284 -0.691 -20.560 1.00 0.00 C ATOM 106 CG GLU A 12 -8.850 -1.178 -20.788 1.00 0.00 C ATOM 107 CD GLU A 12 -8.749 -2.665 -20.439 1.00 0.00 C ATOM 108 OE1 GLU A 12 -9.418 -3.083 -19.509 1.00 0.00 O ATOM 109 OE2 GLU A 12 -8.003 -3.360 -21.109 1.00 0.00 O ATOM 110 HA GLU A 12 -11.295 0.807 -19.340 1.00 0.00 H ATOM 111 HB2 GLU A 12 -10.902 -1.526 -20.230 1.00 0.00 H ATOM 112 HB3 GLU A 12 -10.684 -0.291 -21.492 1.00 0.00 H ATOM 113 HG2 GLU A 12 -8.579 -1.032 -21.834 1.00 0.00 H ATOM 114 HG3 GLU A 12 -8.169 -0.610 -20.155 1.00 0.00 H ATOM 115 H GLU A 12 -8.617 1.178 -20.691 1.00 0.00 H ATOM 116 N ASP A 13 -8.547 -0.103 -17.886 1.00 0.00 N ATOM 117 CA ASP A 13 -8.029 -0.612 -16.586 1.00 0.00 C ATOM 118 C ASP A 13 -8.219 0.463 -15.523 1.00 0.00 C ATOM 119 O ASP A 13 -8.574 0.185 -14.394 1.00 0.00 O ATOM 120 CB ASP A 13 -6.544 -0.889 -16.822 1.00 0.00 C ATOM 121 CG ASP A 13 -6.393 -2.070 -17.783 1.00 0.00 C ATOM 122 OD1 ASP A 13 -7.117 -3.037 -17.619 1.00 0.00 O ATOM 123 OD2 ASP A 13 -5.555 -1.986 -18.665 1.00 0.00 O ATOM 124 HA ASP A 13 -8.545 -1.509 -16.245 1.00 0.00 H ATOM 125 HB2 ASP A 13 -6.073 -0.006 -17.254 1.00 0.00 H ATOM 126 HB3 ASP A 13 -6.063 -1.128 -15.873 1.00 0.00 H ATOM 127 H ASP A 13 -7.889 0.290 -18.589 1.00 0.00 H ATOM 128 N LYS A 14 -8.006 1.694 -15.887 1.00 0.00 N ATOM 129 CA LYS A 14 -8.201 2.795 -14.912 1.00 0.00 C ATOM 130 C LYS A 14 -9.694 2.935 -14.629 1.00 0.00 C ATOM 131 O LYS A 14 -10.106 3.479 -13.624 1.00 0.00 O ATOM 132 CB LYS A 14 -7.666 4.046 -15.603 1.00 0.00 C ATOM 133 CG LYS A 14 -8.152 5.293 -14.861 1.00 0.00 C ATOM 134 CD LYS A 14 -7.399 5.424 -13.537 1.00 0.00 C ATOM 135 CE LYS A 14 -7.258 6.905 -13.179 1.00 0.00 C ATOM 136 NZ LYS A 14 -8.397 7.187 -12.264 1.00 0.00 N ATOM 137 HA LYS A 14 -7.692 2.621 -13.964 1.00 0.00 H ATOM 138 HB2 LYS A 14 -6.576 4.024 -15.600 1.00 0.00 H ATOM 139 HB3 LYS A 14 -8.025 4.073 -16.632 1.00 0.00 H ATOM 140 HG2 LYS A 14 -7.967 6.176 -15.473 1.00 0.00 H ATOM 141 HG3 LYS A 14 -9.221 5.206 -14.665 1.00 0.00 H ATOM 142 HD2 LYS A 14 -7.952 4.910 -12.751 1.00 0.00 H ATOM 143 HD3 LYS A 14 -6.410 4.977 -13.635 1.00 0.00 H ATOM 144 HE2 LYS A 14 -7.322 7.524 -14.074 1.00 0.00 H ATOM 145 HE3 LYS A 14 -6.308 7.090 -12.678 1.00 0.00 H ATOM 146 HZ1 LYS A 14 -9.292 6.993 -12.757 1.00 0.00 H ATOM 147 HZ2 LYS A 14 -8.324 6.579 -11.424 1.00 0.00 H ATOM 148 HZ3 LYS A 14 -8.368 8.185 -11.974 1.00 0.00 H ATOM 149 H LYS A 14 -7.700 1.905 -16.858 1.00 0.00 H ATOM 150 N ALA A 15 -10.503 2.432 -15.520 1.00 0.00 N ATOM 151 CA ALA A 15 -11.976 2.511 -15.327 1.00 0.00 C ATOM 152 C ALA A 15 -12.372 1.584 -14.185 1.00 0.00 C ATOM 153 O ALA A 15 -13.146 1.939 -13.317 1.00 0.00 O ATOM 154 CB ALA A 15 -12.574 2.034 -16.650 1.00 0.00 C ATOM 155 HA ALA A 15 -12.324 3.512 -15.074 1.00 0.00 H ATOM 156 HB1 ALA A 15 -12.238 2.687 -17.456 1.00 0.00 H ATOM 157 HB2 ALA A 15 -12.248 1.013 -16.848 1.00 0.00 H ATOM 158 HB3 ALA A 15 -13.662 2.063 -16.587 1.00 0.00 H ATOM 159 H ALA A 15 -10.116 1.973 -16.370 1.00 0.00 H ATOM 160 N LYS A 16 -11.820 0.402 -14.163 1.00 0.00 N ATOM 161 CA LYS A 16 -12.139 -0.537 -13.057 1.00 0.00 C ATOM 162 C LYS A 16 -11.393 -0.071 -11.804 1.00 0.00 C ATOM 163 O LYS A 16 -11.803 -0.321 -10.687 1.00 0.00 O ATOM 164 CB LYS A 16 -11.663 -1.912 -13.549 1.00 0.00 C ATOM 165 CG LYS A 16 -10.239 -2.187 -13.075 1.00 0.00 C ATOM 166 CD LYS A 16 -9.798 -3.576 -13.543 1.00 0.00 C ATOM 167 CE LYS A 16 -9.388 -3.515 -15.015 1.00 0.00 C ATOM 168 NZ LYS A 16 -9.211 -4.936 -15.424 1.00 0.00 N ATOM 169 HA LYS A 16 -13.197 -0.580 -12.799 1.00 0.00 H ATOM 170 HB2 LYS A 16 -12.327 -2.683 -13.157 1.00 0.00 H ATOM 171 HB3 LYS A 16 -11.689 -1.932 -14.639 1.00 0.00 H ATOM 172 HG2 LYS A 16 -9.567 -1.435 -13.489 1.00 0.00 H ATOM 173 HG3 LYS A 16 -10.204 -2.143 -11.986 1.00 0.00 H ATOM 174 HD2 LYS A 16 -8.951 -3.909 -12.944 1.00 0.00 H ATOM 175 HD3 LYS A 16 -10.623 -4.278 -13.425 1.00 0.00 H ATOM 176 HE2 LYS A 16 -8.455 -2.963 -15.131 1.00 0.00 H ATOM 177 HE3 LYS A 16 -10.167 -3.039 -15.611 1.00 0.00 H ATOM 178 HZ1 LYS A 16 -8.473 -5.375 -14.837 1.00 0.00 H ATOM 179 HZ2 LYS A 16 -10.108 -5.447 -15.295 1.00 0.00 H ATOM 180 HZ3 LYS A 16 -8.929 -4.975 -16.424 1.00 0.00 H ATOM 181 H LYS A 16 -11.160 0.119 -14.916 1.00 0.00 H ATOM 182 N TYR A 17 -10.307 0.632 -11.995 1.00 0.00 N ATOM 183 CA TYR A 17 -9.531 1.153 -10.837 1.00 0.00 C ATOM 184 C TYR A 17 -10.323 2.285 -10.190 1.00 0.00 C ATOM 185 O TYR A 17 -10.330 2.456 -8.988 1.00 0.00 O ATOM 186 CB TYR A 17 -8.233 1.712 -11.430 1.00 0.00 C ATOM 187 CG TYR A 17 -7.395 0.605 -12.031 1.00 0.00 C ATOM 188 CD1 TYR A 17 -7.879 -0.706 -12.082 1.00 0.00 C ATOM 189 CD2 TYR A 17 -6.127 0.904 -12.545 1.00 0.00 C ATOM 190 CE1 TYR A 17 -7.095 -1.720 -12.646 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.340 -0.109 -13.106 1.00 0.00 C ATOM 192 CZ TYR A 17 -5.823 -1.422 -13.157 1.00 0.00 C ATOM 193 OH TYR A 17 -5.052 -2.422 -13.712 1.00 0.00 O ATOM 194 HA TYR A 17 -9.335 0.387 -10.087 1.00 0.00 H ATOM 195 HB3 TYR A 17 -7.663 2.204 -10.642 1.00 0.00 H ATOM 196 HB2 TYR A 17 -8.478 2.437 -12.206 1.00 0.00 H ATOM 197 HD2 TYR A 17 -5.752 1.927 -12.508 1.00 0.00 H ATOM 198 HE2 TYR A 17 -4.352 0.124 -13.503 1.00 0.00 H ATOM 199 HE1 TYR A 17 -7.473 -2.741 -12.688 1.00 0.00 H ATOM 200 HD1 TYR A 17 -8.866 -0.939 -11.683 1.00 0.00 H ATOM 201 HH TYR A 17 -5.543 -3.280 -13.666 1.00 0.00 H ATOM 202 H TYR A 17 -9.983 0.828 -12.964 1.00 0.00 H ATOM 203 N ASP A 18 -10.987 3.066 -10.999 1.00 0.00 N ATOM 204 CA ASP A 18 -11.785 4.203 -10.461 1.00 0.00 C ATOM 205 C ASP A 18 -13.067 3.689 -9.807 1.00 0.00 C ATOM 206 O ASP A 18 -13.765 4.417 -9.130 1.00 0.00 O ATOM 207 CB ASP A 18 -12.114 5.059 -11.682 1.00 0.00 C ATOM 208 CG ASP A 18 -11.352 6.382 -11.598 1.00 0.00 C ATOM 209 OD1 ASP A 18 -10.440 6.467 -10.794 1.00 0.00 O ATOM 210 OD2 ASP A 18 -11.694 7.288 -12.341 1.00 0.00 O ATOM 211 HA ASP A 18 -11.245 4.764 -9.698 1.00 0.00 H ATOM 212 HB2 ASP A 18 -11.822 4.528 -12.588 1.00 0.00 H ATOM 213 HB3 ASP A 18 -13.185 5.258 -11.709 1.00 0.00 H ATOM 214 H ASP A 18 -10.959 2.893 -12.024 1.00 0.00 H ATOM 215 N ALA A 19 -13.370 2.434 -9.980 1.00 0.00 N ATOM 216 CA ALA A 19 -14.589 1.872 -9.340 1.00 0.00 C ATOM 217 C ALA A 19 -14.179 1.319 -7.987 1.00 0.00 C ATOM 218 O ALA A 19 -14.906 1.382 -7.015 1.00 0.00 O ATOM 219 CB ALA A 19 -15.061 0.750 -10.262 1.00 0.00 C ATOM 220 HA ALA A 19 -15.383 2.605 -9.195 1.00 0.00 H ATOM 221 HB1 ALA A 19 -15.283 1.160 -11.247 1.00 0.00 H ATOM 222 HB2 ALA A 19 -14.276 -0.002 -10.349 1.00 0.00 H ATOM 223 HB3 ALA A 19 -15.959 0.293 -9.846 1.00 0.00 H ATOM 224 H ALA A 19 -12.761 1.826 -10.564 1.00 0.00 H ATOM 225 N ILE A 20 -12.985 0.807 -7.926 1.00 0.00 N ATOM 226 CA ILE A 20 -12.455 0.276 -6.657 1.00 0.00 C ATOM 227 C ILE A 20 -12.031 1.464 -5.801 1.00 0.00 C ATOM 228 O ILE A 20 -12.191 1.477 -4.597 1.00 0.00 O ATOM 229 CB ILE A 20 -11.247 -0.552 -7.083 1.00 0.00 C ATOM 230 CG1 ILE A 20 -11.707 -1.895 -7.650 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.348 -0.786 -5.881 1.00 0.00 C ATOM 232 CD1 ILE A 20 -10.650 -2.427 -8.626 1.00 0.00 C ATOM 233 HA ILE A 20 -13.163 -0.319 -6.080 1.00 0.00 H ATOM 234 HB ILE A 20 -10.695 -0.013 -7.853 1.00 0.00 H ATOM 235 HG12 ILE A 20 -11.841 -2.607 -6.836 1.00 0.00 H ATOM 236 HG13 ILE A 20 -12.653 -1.763 -8.175 1.00 0.00 H ATOM 237 HD11 ILE A 20 -10.518 -1.714 -9.440 1.00 0.00 H ATOM 238 HD12 ILE A 20 -9.705 -2.559 -8.099 1.00 0.00 H ATOM 239 HD13 ILE A 20 -10.979 -3.385 -9.030 1.00 0.00 H ATOM 240 HG21 ILE A 20 -10.012 0.174 -5.488 1.00 0.00 H ATOM 241 HG22 ILE A 20 -10.904 -1.321 -5.111 1.00 0.00 H ATOM 242 HG23 ILE A 20 -9.484 -1.378 -6.185 1.00 0.00 H ATOM 243 H ILE A 20 -12.397 0.772 -8.783 1.00 0.00 H ATOM 244 N PHE A 21 -11.506 2.473 -6.439 1.00 0.00 N ATOM 245 CA PHE A 21 -11.082 3.689 -5.701 1.00 0.00 C ATOM 246 C PHE A 21 -12.324 4.415 -5.175 1.00 0.00 C ATOM 247 O PHE A 21 -12.348 4.920 -4.071 1.00 0.00 O ATOM 248 CB PHE A 21 -10.327 4.533 -6.743 1.00 0.00 C ATOM 249 CG PHE A 21 -10.541 6.013 -6.492 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.753 6.614 -6.853 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.527 6.778 -5.906 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.950 7.982 -6.626 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.725 8.146 -5.678 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.936 8.748 -6.038 1.00 0.00 C ATOM 255 HA PHE A 21 -10.452 3.478 -4.837 1.00 0.00 H ATOM 256 HB2 PHE A 21 -9.262 4.310 -6.681 1.00 0.00 H ATOM 257 HB3 PHE A 21 -10.692 4.282 -7.739 1.00 0.00 H ATOM 258 HD2 PHE A 21 -8.583 6.310 -5.627 1.00 0.00 H ATOM 259 HE2 PHE A 21 -8.935 8.742 -5.220 1.00 0.00 H ATOM 260 HZ PHE A 21 -11.090 9.812 -5.861 1.00 0.00 H ATOM 261 HE1 PHE A 21 -12.893 8.451 -6.907 1.00 0.00 H ATOM 262 HD1 PHE A 21 -12.543 6.018 -7.310 1.00 0.00 H ATOM 263 H PHE A 21 -11.384 2.425 -7.471 1.00 0.00 H ATOM 264 N ASP A 22 -13.353 4.462 -5.970 1.00 0.00 N ATOM 265 CA ASP A 22 -14.606 5.146 -5.544 1.00 0.00 C ATOM 266 C ASP A 22 -15.502 4.174 -4.771 1.00 0.00 C ATOM 267 O ASP A 22 -16.576 4.525 -4.327 1.00 0.00 O ATOM 268 CB ASP A 22 -15.277 5.583 -6.847 1.00 0.00 C ATOM 269 CG ASP A 22 -16.743 5.927 -6.580 1.00 0.00 C ATOM 270 OD1 ASP A 22 -17.005 6.593 -5.591 1.00 0.00 O ATOM 271 OD2 ASP A 22 -17.579 5.520 -7.368 1.00 0.00 O ATOM 272 HA ASP A 22 -14.415 5.991 -4.882 1.00 0.00 H ATOM 273 HB2 ASP A 22 -14.765 6.460 -7.243 1.00 0.00 H ATOM 274 HB3 ASP A 22 -15.221 4.772 -7.574 1.00 0.00 H ATOM 275 H ASP A 22 -13.300 4.019 -6.909 1.00 0.00 H ATOM 276 N SER A 23 -15.058 2.959 -4.589 1.00 0.00 N ATOM 277 CA SER A 23 -15.876 1.976 -3.822 1.00 0.00 C ATOM 278 C SER A 23 -15.505 2.067 -2.343 1.00 0.00 C ATOM 279 O SER A 23 -16.114 1.450 -1.491 1.00 0.00 O ATOM 280 CB SER A 23 -15.497 0.608 -4.390 1.00 0.00 C ATOM 281 OG SER A 23 -16.499 0.188 -5.307 1.00 0.00 O ATOM 282 HA SER A 23 -16.947 2.157 -3.907 1.00 0.00 H ATOM 283 HB2 SER A 23 -15.419 -0.115 -3.578 1.00 0.00 H ATOM 284 HB3 SER A 23 -14.539 0.679 -4.904 1.00 0.00 H ATOM 285 HG SER A 23 -16.568 0.846 -6.043 1.00 0.00 H ATOM 286 H SER A 23 -14.136 2.678 -4.978 1.00 0.00 H ATOM 287 N LEU A 24 -14.505 2.847 -2.042 1.00 0.00 N ATOM 288 CA LEU A 24 -14.067 3.012 -0.629 1.00 0.00 C ATOM 289 C LEU A 24 -14.484 4.395 -0.128 1.00 0.00 C ATOM 290 O LEU A 24 -14.370 4.700 1.042 1.00 0.00 O ATOM 291 CB LEU A 24 -12.536 2.928 -0.647 1.00 0.00 C ATOM 292 CG LEU A 24 -12.035 2.060 -1.803 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.530 2.265 -1.962 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.311 0.591 -1.498 1.00 0.00 C ATOM 295 HA LEU A 24 -14.509 2.255 0.019 1.00 0.00 H ATOM 296 HB2 LEU A 24 -12.127 3.933 -0.755 1.00 0.00 H ATOM 297 HB3 LEU A 24 -12.194 2.497 0.294 1.00 0.00 H ATOM 298 HG LEU A 24 -12.550 2.342 -2.722 1.00 0.00 H ATOM 299 HD21 LEU A 24 -11.793 0.308 -0.581 1.00 0.00 H ATOM 300 HD22 LEU A 24 -13.383 0.443 -1.372 1.00 0.00 H ATOM 301 HD23 LEU A 24 -11.953 -0.024 -2.324 1.00 0.00 H ATOM 302 HD11 LEU A 24 -10.328 3.315 -2.175 1.00 0.00 H ATOM 303 HD12 LEU A 24 -10.026 1.977 -1.040 1.00 0.00 H ATOM 304 HD13 LEU A 24 -10.166 1.649 -2.784 1.00 0.00 H ATOM 305 H LEU A 24 -14.007 3.360 -2.798 1.00 0.00 H ATOM 306 N SER A 25 -14.938 5.234 -1.031 1.00 0.00 N ATOM 307 CA SER A 25 -15.354 6.633 -0.672 1.00 0.00 C ATOM 308 C SER A 25 -14.130 7.547 -0.669 1.00 0.00 C ATOM 309 O SER A 25 -13.441 7.673 0.324 1.00 0.00 O ATOM 310 CB SER A 25 -15.991 6.564 0.719 1.00 0.00 C ATOM 311 OG SER A 25 -16.723 5.352 0.841 1.00 0.00 O ATOM 312 HA SER A 25 -16.065 7.038 -1.393 1.00 0.00 H ATOM 313 HB2 SER A 25 -16.664 7.411 0.854 1.00 0.00 H ATOM 314 HB3 SER A 25 -15.211 6.596 1.479 1.00 0.00 H ATOM 315 HG SER A 25 -16.110 4.584 0.718 1.00 0.00 H ATOM 316 H SER A 25 -15.012 4.922 -2.020 1.00 0.00 H ATOM 317 N PRO A 26 -13.901 8.144 -1.806 1.00 0.00 N ATOM 318 CA PRO A 26 -12.745 9.056 -1.982 1.00 0.00 C ATOM 319 C PRO A 26 -12.979 10.381 -1.261 1.00 0.00 C ATOM 320 O PRO A 26 -14.098 10.811 -1.068 1.00 0.00 O ATOM 321 CB PRO A 26 -12.688 9.271 -3.492 1.00 0.00 C ATOM 322 CG PRO A 26 -14.083 9.022 -3.970 1.00 0.00 C ATOM 323 CD PRO A 26 -14.701 8.024 -3.028 1.00 0.00 C ATOM 324 HA PRO A 26 -11.821 8.650 -1.571 1.00 0.00 H ATOM 325 HD3 PRO A 26 -15.745 8.270 -2.833 1.00 0.00 H ATOM 326 HD2 PRO A 26 -14.637 7.015 -3.436 1.00 0.00 H ATOM 327 HG3 PRO A 26 -14.065 8.620 -4.983 1.00 0.00 H ATOM 328 HG2 PRO A 26 -14.654 9.950 -3.959 1.00 0.00 H ATOM 329 HB2 PRO A 26 -12.380 10.291 -3.723 1.00 0.00 H ATOM 330 HB3 PRO A 26 -11.993 8.569 -3.954 1.00 0.00 H ATOM 331 N VAL A 27 -11.923 11.035 -0.874 1.00 0.00 N ATOM 332 CA VAL A 27 -12.061 12.341 -0.179 1.00 0.00 C ATOM 333 C VAL A 27 -11.318 13.414 -0.974 1.00 0.00 C ATOM 334 O VAL A 27 -10.113 13.374 -1.113 1.00 0.00 O ATOM 335 CB VAL A 27 -11.422 12.131 1.193 1.00 0.00 C ATOM 336 CG1 VAL A 27 -11.468 13.440 1.984 1.00 0.00 C ATOM 337 CG2 VAL A 27 -12.198 11.048 1.950 1.00 0.00 C ATOM 338 HA VAL A 27 -13.097 12.667 -0.085 1.00 0.00 H ATOM 339 HB VAL A 27 -10.385 11.820 1.070 1.00 0.00 H ATOM 340 HG11 VAL A 27 -10.920 14.210 1.442 1.00 0.00 H ATOM 341 HG12 VAL A 27 -12.505 13.751 2.110 1.00 0.00 H ATOM 342 HG13 VAL A 27 -11.012 13.288 2.962 1.00 0.00 H ATOM 343 HG21 VAL A 27 -13.234 11.364 2.073 1.00 0.00 H ATOM 344 HG22 VAL A 27 -12.165 10.117 1.384 1.00 0.00 H ATOM 345 HG23 VAL A 27 -11.745 10.896 2.929 1.00 0.00 H ATOM 346 H VAL A 27 -10.977 10.641 -1.052 1.00 0.00 H ATOM 347 N ASN A 28 -12.032 14.359 -1.516 1.00 0.00 N ATOM 348 CA ASN A 28 -11.373 15.424 -2.324 1.00 0.00 C ATOM 349 C ASN A 28 -10.481 14.785 -3.397 1.00 0.00 C ATOM 350 O ASN A 28 -9.599 15.416 -3.945 1.00 0.00 O ATOM 351 CB ASN A 28 -10.573 16.270 -1.314 1.00 0.00 C ATOM 352 CG ASN A 28 -9.104 15.834 -1.267 1.00 0.00 C ATOM 353 OD1 ASN A 28 -8.332 16.157 -2.149 1.00 0.00 O ATOM 354 ND2 ASN A 28 -8.679 15.116 -0.264 1.00 0.00 N ATOM 355 HA ASN A 28 -12.083 16.052 -2.862 1.00 0.00 H ATOM 356 HB2 ASN A 28 -10.624 17.318 -1.608 1.00 0.00 H ATOM 357 HB3 ASN A 28 -11.012 16.151 -0.323 1.00 0.00 H ATOM 358 HD22 ASN A 28 -9.337 14.838 0.492 1.00 0.00 H ATOM 359 HD21 ASN A 28 -7.682 14.822 -0.221 1.00 0.00 H ATOM 360 H ASN A 28 -13.064 14.370 -1.385 1.00 0.00 H ATOM 361 N GLY A 29 -10.722 13.539 -3.711 1.00 0.00 N ATOM 362 CA GLY A 29 -9.908 12.857 -4.756 1.00 0.00 C ATOM 363 C GLY A 29 -8.781 12.047 -4.109 1.00 0.00 C ATOM 364 O GLY A 29 -7.679 11.997 -4.619 1.00 0.00 O ATOM 365 HA3 GLY A 29 -9.477 13.605 -5.421 1.00 0.00 H ATOM 366 HA2 GLY A 29 -10.548 12.187 -5.330 1.00 0.00 H ATOM 367 H GLY A 29 -11.485 13.022 -3.229 1.00 0.00 H ATOM 368 N PHE A 30 -9.033 11.415 -2.992 1.00 0.00 N ATOM 369 CA PHE A 30 -7.943 10.621 -2.343 1.00 0.00 C ATOM 370 C PHE A 30 -8.475 9.434 -1.549 1.00 0.00 C ATOM 371 O PHE A 30 -9.523 9.486 -0.938 1.00 0.00 O ATOM 372 CB PHE A 30 -7.255 11.593 -1.397 1.00 0.00 C ATOM 373 CG PHE A 30 -6.473 12.572 -2.219 1.00 0.00 C ATOM 374 CD1 PHE A 30 -5.182 12.254 -2.645 1.00 0.00 C ATOM 375 CD2 PHE A 30 -7.049 13.792 -2.567 1.00 0.00 C ATOM 376 CE1 PHE A 30 -4.461 13.169 -3.422 1.00 0.00 C ATOM 377 CE2 PHE A 30 -6.336 14.705 -3.342 1.00 0.00 C ATOM 378 CZ PHE A 30 -5.038 14.396 -3.771 1.00 0.00 C ATOM 379 HA PHE A 30 -7.277 10.205 -3.099 1.00 0.00 H ATOM 380 HB2 PHE A 30 -8.001 12.122 -0.804 1.00 0.00 H ATOM 381 HB3 PHE A 30 -6.583 11.049 -0.733 1.00 0.00 H ATOM 382 HD2 PHE A 30 -8.058 14.033 -2.233 1.00 0.00 H ATOM 383 HE2 PHE A 30 -6.788 15.659 -3.614 1.00 0.00 H ATOM 384 HZ PHE A 30 -4.479 15.110 -4.375 1.00 0.00 H ATOM 385 HE1 PHE A 30 -3.452 12.926 -3.755 1.00 0.00 H ATOM 386 HD1 PHE A 30 -4.737 11.297 -2.374 1.00 0.00 H ATOM 387 H PHE A 30 -9.978 11.464 -2.561 1.00 0.00 H ATOM 388 N LEU A 31 -7.711 8.379 -1.518 1.00 0.00 N ATOM 389 CA LEU A 31 -8.100 7.186 -0.722 1.00 0.00 C ATOM 390 C LEU A 31 -7.028 6.962 0.328 1.00 0.00 C ATOM 391 O LEU A 31 -5.853 7.072 0.052 1.00 0.00 O ATOM 392 CB LEU A 31 -8.115 5.999 -1.682 1.00 0.00 C ATOM 393 CG LEU A 31 -9.402 5.978 -2.495 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.526 4.606 -3.141 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.610 6.209 -1.587 1.00 0.00 C ATOM 396 HA LEU A 31 -9.071 7.310 -0.243 1.00 0.00 H ATOM 397 HB2 LEU A 31 -7.265 6.076 -2.360 1.00 0.00 H ATOM 398 HB3 LEU A 31 -8.039 5.075 -1.109 1.00 0.00 H ATOM 399 HG LEU A 31 -9.374 6.766 -3.247 1.00 0.00 H ATOM 400 HD21 LEU A 31 -10.652 5.422 -0.834 1.00 0.00 H ATOM 401 HD22 LEU A 31 -10.515 7.178 -1.097 1.00 0.00 H ATOM 402 HD23 LEU A 31 -11.521 6.191 -2.185 1.00 0.00 H ATOM 403 HD11 LEU A 31 -8.667 4.432 -3.789 1.00 0.00 H ATOM 404 HD12 LEU A 31 -9.557 3.842 -2.364 1.00 0.00 H ATOM 405 HD13 LEU A 31 -10.442 4.565 -3.730 1.00 0.00 H ATOM 406 H LEU A 31 -6.821 8.372 -2.055 1.00 0.00 H ATOM 407 N SER A 32 -7.404 6.653 1.522 1.00 0.00 N ATOM 408 CA SER A 32 -6.370 6.432 2.565 1.00 0.00 C ATOM 409 C SER A 32 -5.946 4.973 2.576 1.00 0.00 C ATOM 410 O SER A 32 -6.743 4.093 2.336 1.00 0.00 O ATOM 411 CB SER A 32 -7.036 6.814 3.884 1.00 0.00 C ATOM 412 OG SER A 32 -8.210 6.031 4.061 1.00 0.00 O ATOM 413 HA SER A 32 -5.471 7.023 2.387 1.00 0.00 H ATOM 414 HB2 SER A 32 -7.302 7.871 3.865 1.00 0.00 H ATOM 415 HB3 SER A 32 -6.347 6.629 4.708 1.00 0.00 H ATOM 416 HG SER A 32 -7.966 5.072 4.078 1.00 0.00 H ATOM 417 H SER A 32 -8.414 6.560 1.751 1.00 0.00 H ATOM 418 N GLY A 33 -4.698 4.710 2.855 1.00 0.00 N ATOM 419 CA GLY A 33 -4.229 3.292 2.894 1.00 0.00 C ATOM 420 C GLY A 33 -5.297 2.435 3.573 1.00 0.00 C ATOM 421 O GLY A 33 -5.430 1.258 3.307 1.00 0.00 O ATOM 422 HA3 GLY A 33 -3.298 3.230 3.457 1.00 0.00 H ATOM 423 HA2 GLY A 33 -4.063 2.933 1.878 1.00 0.00 H ATOM 424 H GLY A 33 -4.032 5.485 3.049 1.00 0.00 H ATOM 425 N ASP A 34 -6.069 3.029 4.442 1.00 0.00 N ATOM 426 CA ASP A 34 -7.141 2.268 5.138 1.00 0.00 C ATOM 427 C ASP A 34 -8.152 1.728 4.122 1.00 0.00 C ATOM 428 O ASP A 34 -8.786 0.717 4.347 1.00 0.00 O ATOM 429 CB ASP A 34 -7.809 3.283 6.065 1.00 0.00 C ATOM 430 CG ASP A 34 -9.145 2.722 6.554 1.00 0.00 C ATOM 431 OD1 ASP A 34 -9.197 1.537 6.837 1.00 0.00 O ATOM 432 OD2 ASP A 34 -10.092 3.486 6.637 1.00 0.00 O ATOM 433 HA ASP A 34 -6.749 1.410 5.685 1.00 0.00 H ATOM 434 HB2 ASP A 34 -7.161 3.477 6.920 1.00 0.00 H ATOM 435 HB3 ASP A 34 -7.981 4.213 5.523 1.00 0.00 H ATOM 436 H ASP A 34 -5.934 4.039 4.649 1.00 0.00 H ATOM 437 N LYS A 35 -8.301 2.383 3.000 1.00 0.00 N ATOM 438 CA LYS A 35 -9.257 1.891 1.978 1.00 0.00 C ATOM 439 C LYS A 35 -8.489 1.070 0.952 1.00 0.00 C ATOM 440 O LYS A 35 -8.989 0.110 0.399 1.00 0.00 O ATOM 441 CB LYS A 35 -9.843 3.149 1.339 1.00 0.00 C ATOM 442 CG LYS A 35 -10.786 3.835 2.333 1.00 0.00 C ATOM 443 CD LYS A 35 -11.251 5.172 1.753 1.00 0.00 C ATOM 444 CE LYS A 35 -11.785 6.064 2.877 1.00 0.00 C ATOM 445 NZ LYS A 35 -10.601 6.830 3.354 1.00 0.00 N ATOM 446 HA LYS A 35 -10.043 1.259 2.392 1.00 0.00 H ATOM 447 HB2 LYS A 35 -9.036 3.832 1.073 1.00 0.00 H ATOM 448 HB3 LYS A 35 -10.397 2.876 0.441 1.00 0.00 H ATOM 449 HG2 LYS A 35 -11.651 3.197 2.514 1.00 0.00 H ATOM 450 HG3 LYS A 35 -10.261 4.009 3.272 1.00 0.00 H ATOM 451 HD2 LYS A 35 -10.412 5.667 1.265 1.00 0.00 H ATOM 452 HD3 LYS A 35 -12.041 4.996 1.023 1.00 0.00 H ATOM 453 HE2 LYS A 35 -12.200 5.459 3.683 1.00 0.00 H ATOM 454 HE3 LYS A 35 -12.552 6.740 2.499 1.00 0.00 H ATOM 455 HZ1 LYS A 35 -9.877 6.168 3.699 1.00 0.00 H ATOM 456 HZ2 LYS A 35 -10.213 7.391 2.569 1.00 0.00 H ATOM 457 HZ3 LYS A 35 -10.888 7.465 4.126 1.00 0.00 H ATOM 458 H LYS A 35 -7.750 3.247 2.824 1.00 0.00 H ATOM 459 N VAL A 36 -7.265 1.439 0.703 1.00 0.00 N ATOM 460 CA VAL A 36 -6.447 0.676 -0.277 1.00 0.00 C ATOM 461 C VAL A 36 -5.892 -0.593 0.373 1.00 0.00 C ATOM 462 O VAL A 36 -6.003 -1.677 -0.162 1.00 0.00 O ATOM 463 CB VAL A 36 -5.306 1.615 -0.648 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.394 0.929 -1.665 1.00 0.00 C ATOM 465 CG2 VAL A 36 -5.880 2.900 -1.248 1.00 0.00 C ATOM 466 HA VAL A 36 -7.028 0.366 -1.146 1.00 0.00 H ATOM 467 HB VAL A 36 -4.729 1.862 0.243 1.00 0.00 H ATOM 468 HG11 VAL A 36 -3.988 0.016 -1.229 1.00 0.00 H ATOM 469 HG12 VAL A 36 -4.968 0.683 -2.558 1.00 0.00 H ATOM 470 HG13 VAL A 36 -3.578 1.601 -1.930 1.00 0.00 H ATOM 471 HG21 VAL A 36 -6.457 2.657 -2.140 1.00 0.00 H ATOM 472 HG22 VAL A 36 -6.527 3.384 -0.516 1.00 0.00 H ATOM 473 HG23 VAL A 36 -5.064 3.572 -1.513 1.00 0.00 H ATOM 474 H VAL A 36 -6.861 2.265 1.188 1.00 0.00 H ATOM 475 N LYS A 37 -5.284 -0.459 1.522 1.00 0.00 N ATOM 476 CA LYS A 37 -4.706 -1.649 2.211 1.00 0.00 C ATOM 477 C LYS A 37 -5.626 -2.870 2.061 1.00 0.00 C ATOM 478 O LYS A 37 -5.194 -3.910 1.606 1.00 0.00 O ATOM 479 CB LYS A 37 -4.575 -1.240 3.679 1.00 0.00 C ATOM 480 CG LYS A 37 -4.228 -2.469 4.520 1.00 0.00 C ATOM 481 CD LYS A 37 -5.300 -2.675 5.592 1.00 0.00 C ATOM 482 CE LYS A 37 -4.748 -2.247 6.952 1.00 0.00 C ATOM 483 NZ LYS A 37 -4.501 -0.785 6.817 1.00 0.00 N ATOM 484 HA LYS A 37 -3.745 -1.937 1.784 1.00 0.00 H ATOM 485 HB2 LYS A 37 -3.786 -0.495 3.780 1.00 0.00 H ATOM 486 HB3 LYS A 37 -5.518 -0.817 4.025 1.00 0.00 H ATOM 487 HG2 LYS A 37 -4.183 -3.348 3.877 1.00 0.00 H ATOM 488 HG3 LYS A 37 -3.260 -2.320 4.998 1.00 0.00 H ATOM 489 HD2 LYS A 37 -6.177 -2.074 5.350 1.00 0.00 H ATOM 490 HD3 LYS A 37 -5.581 -3.728 5.628 1.00 0.00 H ATOM 491 HE2 LYS A 37 -3.821 -2.775 7.174 1.00 0.00 H ATOM 492 HE3 LYS A 37 -5.474 -2.443 7.741 1.00 0.00 H ATOM 493 HZ1 LYS A 37 -3.816 -0.620 6.052 1.00 0.00 H ATOM 494 HZ2 LYS A 37 -5.395 -0.303 6.593 1.00 0.00 H ATOM 495 HZ3 LYS A 37 -4.120 -0.415 7.711 1.00 0.00 H ATOM 496 H LYS A 37 -5.203 0.482 1.958 1.00 0.00 H ATOM 497 N PRO A 38 -6.872 -2.716 2.427 1.00 0.00 N ATOM 498 CA PRO A 38 -7.830 -3.842 2.300 1.00 0.00 C ATOM 499 C PRO A 38 -8.035 -4.162 0.820 1.00 0.00 C ATOM 500 O PRO A 38 -8.164 -5.305 0.428 1.00 0.00 O ATOM 501 CB PRO A 38 -9.105 -3.305 2.946 1.00 0.00 C ATOM 502 CG PRO A 38 -8.980 -1.821 2.847 1.00 0.00 C ATOM 503 CD PRO A 38 -7.512 -1.513 2.973 1.00 0.00 C ATOM 504 HA PRO A 38 -7.498 -4.767 2.772 1.00 0.00 H ATOM 505 HD3 PRO A 38 -7.246 -0.630 2.392 1.00 0.00 H ATOM 506 HD2 PRO A 38 -7.232 -1.359 4.015 1.00 0.00 H ATOM 507 HG3 PRO A 38 -9.537 -1.340 3.651 1.00 0.00 H ATOM 508 HG2 PRO A 38 -9.358 -1.473 1.886 1.00 0.00 H ATOM 509 HB2 PRO A 38 -9.986 -3.654 2.408 1.00 0.00 H ATOM 510 HB3 PRO A 38 -9.170 -3.617 3.988 1.00 0.00 H ATOM 511 N VAL A 39 -8.035 -3.154 -0.005 1.00 0.00 N ATOM 512 CA VAL A 39 -8.198 -3.381 -1.467 1.00 0.00 C ATOM 513 C VAL A 39 -7.001 -4.185 -1.984 1.00 0.00 C ATOM 514 O VAL A 39 -7.117 -4.977 -2.898 1.00 0.00 O ATOM 515 CB VAL A 39 -8.234 -1.968 -2.069 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.749 -1.983 -3.525 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.668 -1.433 -2.020 1.00 0.00 C ATOM 518 HA VAL A 39 -9.093 -3.946 -1.728 1.00 0.00 H ATOM 519 HB VAL A 39 -7.573 -1.325 -1.488 1.00 0.00 H ATOM 520 HG11 VAL A 39 -6.725 -2.355 -3.562 1.00 0.00 H ATOM 521 HG12 VAL A 39 -8.395 -2.633 -4.115 1.00 0.00 H ATOM 522 HG13 VAL A 39 -7.784 -0.971 -3.929 1.00 0.00 H ATOM 523 HG21 VAL A 39 -10.320 -2.091 -2.594 1.00 0.00 H ATOM 524 HG22 VAL A 39 -10.006 -1.398 -0.984 1.00 0.00 H ATOM 525 HG23 VAL A 39 -9.695 -0.430 -2.447 1.00 0.00 H ATOM 526 H VAL A 39 -7.921 -2.187 0.359 1.00 0.00 H ATOM 527 N LEU A 40 -5.849 -3.989 -1.398 1.00 0.00 N ATOM 528 CA LEU A 40 -4.643 -4.746 -1.842 1.00 0.00 C ATOM 529 C LEU A 40 -4.583 -6.087 -1.115 1.00 0.00 C ATOM 530 O LEU A 40 -4.020 -7.047 -1.601 1.00 0.00 O ATOM 531 CB LEU A 40 -3.456 -3.867 -1.447 1.00 0.00 C ATOM 532 CG LEU A 40 -3.652 -2.462 -2.012 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.484 -1.572 -1.581 1.00 0.00 C ATOM 534 CD2 LEU A 40 -3.706 -2.537 -3.538 1.00 0.00 C ATOM 535 HA LEU A 40 -4.650 -4.957 -2.911 1.00 0.00 H ATOM 536 HB2 LEU A 40 -3.387 -3.816 -0.360 1.00 0.00 H ATOM 537 HB3 LEU A 40 -2.537 -4.295 -1.848 1.00 0.00 H ATOM 538 HG LEU A 40 -4.584 -2.040 -1.635 1.00 0.00 H ATOM 539 HD21 LEU A 40 -2.772 -2.956 -3.913 1.00 0.00 H ATOM 540 HD22 LEU A 40 -4.538 -3.173 -3.840 1.00 0.00 H ATOM 541 HD23 LEU A 40 -3.846 -1.536 -3.945 1.00 0.00 H ATOM 542 HD11 LEU A 40 -2.447 -1.525 -0.493 1.00 0.00 H ATOM 543 HD12 LEU A 40 -1.551 -1.990 -1.960 1.00 0.00 H ATOM 544 HD13 LEU A 40 -2.625 -0.569 -1.985 1.00 0.00 H ATOM 545 H LEU A 40 -5.773 -3.303 -0.620 1.00 0.00 H ATOM 546 N LEU A 41 -5.172 -6.163 0.046 1.00 0.00 N ATOM 547 CA LEU A 41 -5.164 -7.443 0.802 1.00 0.00 C ATOM 548 C LEU A 41 -6.183 -8.397 0.194 1.00 0.00 C ATOM 549 O LEU A 41 -6.219 -9.572 0.504 1.00 0.00 O ATOM 550 CB LEU A 41 -5.578 -7.067 2.221 1.00 0.00 C ATOM 551 CG LEU A 41 -4.435 -6.323 2.903 1.00 0.00 C ATOM 552 CD1 LEU A 41 -4.962 -5.636 4.164 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.343 -7.325 3.276 1.00 0.00 C ATOM 554 HA LEU A 41 -4.193 -7.937 0.779 1.00 0.00 H ATOM 555 HB2 LEU A 41 -6.459 -6.426 2.185 1.00 0.00 H ATOM 556 HB3 LEU A 41 -5.811 -7.971 2.784 1.00 0.00 H ATOM 557 HG LEU A 41 -4.024 -5.571 2.230 1.00 0.00 H ATOM 558 HD21 LEU A 41 -3.754 -8.072 3.955 1.00 0.00 H ATOM 559 HD22 LEU A 41 -2.977 -7.815 2.373 1.00 0.00 H ATOM 560 HD23 LEU A 41 -2.522 -6.800 3.764 1.00 0.00 H ATOM 561 HD11 LEU A 41 -5.747 -4.930 3.891 1.00 0.00 H ATOM 562 HD12 LEU A 41 -5.367 -6.387 4.843 1.00 0.00 H ATOM 563 HD13 LEU A 41 -4.147 -5.103 4.654 1.00 0.00 H ATOM 564 H LEU A 41 -5.648 -5.328 0.443 1.00 0.00 H ATOM 565 N ASN A 42 -7.018 -7.895 -0.670 1.00 0.00 N ATOM 566 CA ASN A 42 -8.042 -8.769 -1.295 1.00 0.00 C ATOM 567 C ASN A 42 -7.460 -9.456 -2.532 1.00 0.00 C ATOM 568 O ASN A 42 -8.065 -10.336 -3.110 1.00 0.00 O ATOM 569 CB ASN A 42 -9.180 -7.826 -1.685 1.00 0.00 C ATOM 570 CG ASN A 42 -10.357 -8.639 -2.228 1.00 0.00 C ATOM 571 OD1 ASN A 42 -10.264 -9.841 -2.373 1.00 0.00 O ATOM 572 ND2 ASN A 42 -11.469 -8.027 -2.536 1.00 0.00 N ATOM 573 HA ASN A 42 -8.382 -9.558 -0.625 1.00 0.00 H ATOM 574 HB2 ASN A 42 -9.501 -7.263 -0.809 1.00 0.00 H ATOM 575 HB3 ASN A 42 -8.832 -7.134 -2.452 1.00 0.00 H ATOM 576 HD22 ASN A 42 -11.548 -6.997 -2.411 1.00 0.00 H ATOM 577 HD21 ASN A 42 -12.276 -8.569 -2.906 1.00 0.00 H ATOM 578 H ASN A 42 -6.968 -6.887 -0.921 1.00 0.00 H ATOM 579 N SER A 43 -6.286 -9.056 -2.940 1.00 0.00 N ATOM 580 CA SER A 43 -5.655 -9.681 -4.136 1.00 0.00 C ATOM 581 C SER A 43 -4.987 -11.002 -3.745 1.00 0.00 C ATOM 582 O SER A 43 -4.301 -11.621 -4.532 1.00 0.00 O ATOM 583 CB SER A 43 -4.608 -8.667 -4.590 1.00 0.00 C ATOM 584 OG SER A 43 -4.949 -7.385 -4.081 1.00 0.00 O ATOM 585 HA SER A 43 -6.376 -9.909 -4.921 1.00 0.00 H ATOM 586 HB2 SER A 43 -4.582 -8.632 -5.679 1.00 0.00 H ATOM 587 HB3 SER A 43 -3.628 -8.961 -4.213 1.00 0.00 H ATOM 588 HG SER A 43 -4.972 -7.419 -3.092 1.00 0.00 H ATOM 589 H SER A 43 -5.790 -8.299 -2.428 1.00 0.00 H ATOM 590 N LYS A 44 -5.174 -11.434 -2.529 1.00 0.00 N ATOM 591 CA LYS A 44 -4.537 -12.708 -2.088 1.00 0.00 C ATOM 592 C LYS A 44 -3.016 -12.542 -2.074 1.00 0.00 C ATOM 593 O LYS A 44 -2.276 -13.498 -1.946 1.00 0.00 O ATOM 594 CB LYS A 44 -4.958 -13.752 -3.124 1.00 0.00 C ATOM 595 CG LYS A 44 -5.470 -15.005 -2.410 1.00 0.00 C ATOM 596 CD LYS A 44 -6.784 -14.685 -1.696 1.00 0.00 C ATOM 597 CE LYS A 44 -7.333 -15.954 -1.041 1.00 0.00 C ATOM 598 NZ LYS A 44 -8.119 -15.475 0.130 1.00 0.00 N ATOM 599 HA LYS A 44 -4.841 -13.000 -1.083 1.00 0.00 H ATOM 600 HB2 LYS A 44 -5.750 -13.342 -3.751 1.00 0.00 H ATOM 601 HB3 LYS A 44 -4.102 -14.013 -3.746 1.00 0.00 H ATOM 602 HG2 LYS A 44 -5.637 -15.797 -3.140 1.00 0.00 H ATOM 603 HG3 LYS A 44 -4.731 -15.335 -1.680 1.00 0.00 H ATOM 604 HD2 LYS A 44 -6.607 -13.929 -0.931 1.00 0.00 H ATOM 605 HD3 LYS A 44 -7.507 -14.307 -2.418 1.00 0.00 H ATOM 606 HE2 LYS A 44 -6.518 -16.601 -0.717 1.00 0.00 H ATOM 607 HE3 LYS A 44 -7.973 -16.498 -1.736 1.00 0.00 H ATOM 608 HZ1 LYS A 44 -7.494 -14.950 0.774 1.00 0.00 H ATOM 609 HZ2 LYS A 44 -8.883 -14.851 -0.199 1.00 0.00 H ATOM 610 HZ3 LYS A 44 -8.527 -16.291 0.629 1.00 0.00 H ATOM 611 H LYS A 44 -5.766 -10.891 -1.868 1.00 0.00 H ATOM 612 N LEU A 45 -2.545 -11.331 -2.206 1.00 0.00 N ATOM 613 CA LEU A 45 -1.073 -11.093 -2.203 1.00 0.00 C ATOM 614 C LEU A 45 -0.607 -10.716 -0.797 1.00 0.00 C ATOM 615 O LEU A 45 -1.364 -10.175 -0.015 1.00 0.00 O ATOM 616 CB LEU A 45 -0.859 -9.933 -3.175 1.00 0.00 C ATOM 617 CG LEU A 45 -0.749 -10.478 -4.599 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.626 -9.315 -5.589 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.486 -11.379 -4.703 1.00 0.00 C ATOM 620 HA LEU A 45 -0.507 -11.977 -2.497 1.00 0.00 H ATOM 621 HB2 LEU A 45 -1.702 -9.245 -3.113 1.00 0.00 H ATOM 622 HB3 LEU A 45 0.059 -9.405 -2.915 1.00 0.00 H ATOM 623 HG LEU A 45 -1.642 -11.056 -4.837 1.00 0.00 H ATOM 624 HD21 LEU A 45 1.378 -10.800 -4.464 1.00 0.00 H ATOM 625 HD22 LEU A 45 0.390 -12.207 -4.001 1.00 0.00 H ATOM 626 HD23 LEU A 45 0.566 -11.768 -5.718 1.00 0.00 H ATOM 627 HD11 LEU A 45 -1.508 -8.679 -5.512 1.00 0.00 H ATOM 628 HD12 LEU A 45 0.265 -8.733 -5.355 1.00 0.00 H ATOM 629 HD13 LEU A 45 -0.548 -9.709 -6.602 1.00 0.00 H ATOM 630 H LEU A 45 -3.199 -10.530 -2.314 1.00 0.00 H ATOM 631 N PRO A 46 0.630 -11.020 -0.521 1.00 0.00 N ATOM 632 CA PRO A 46 1.205 -10.716 0.805 1.00 0.00 C ATOM 633 C PRO A 46 1.466 -9.211 0.950 1.00 0.00 C ATOM 634 O PRO A 46 1.402 -8.465 -0.005 1.00 0.00 O ATOM 635 CB PRO A 46 2.505 -11.515 0.823 1.00 0.00 C ATOM 636 CG PRO A 46 2.877 -11.700 -0.610 1.00 0.00 C ATOM 637 CD PRO A 46 1.600 -11.666 -1.412 1.00 0.00 C ATOM 638 HA PRO A 46 0.544 -10.979 1.631 1.00 0.00 H ATOM 639 HD3 PRO A 46 1.732 -11.086 -2.325 1.00 0.00 H ATOM 640 HD2 PRO A 46 1.277 -12.675 -1.668 1.00 0.00 H ATOM 641 HG3 PRO A 46 3.377 -12.659 -0.745 1.00 0.00 H ATOM 642 HG2 PRO A 46 3.541 -10.897 -0.930 1.00 0.00 H ATOM 643 HB2 PRO A 46 3.284 -10.965 1.351 1.00 0.00 H ATOM 644 HB3 PRO A 46 2.353 -12.481 1.305 1.00 0.00 H ATOM 645 N VAL A 47 1.764 -8.772 2.142 1.00 0.00 N ATOM 646 CA VAL A 47 2.035 -7.333 2.384 1.00 0.00 C ATOM 647 C VAL A 47 3.309 -6.931 1.649 1.00 0.00 C ATOM 648 O VAL A 47 3.628 -5.765 1.522 1.00 0.00 O ATOM 649 CB VAL A 47 2.208 -7.258 3.907 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.957 -5.988 4.321 1.00 0.00 C ATOM 651 CG2 VAL A 47 0.830 -7.267 4.569 1.00 0.00 C ATOM 652 HA VAL A 47 1.253 -6.662 2.029 1.00 0.00 H ATOM 653 HB VAL A 47 2.792 -8.120 4.229 1.00 0.00 H ATOM 654 HG11 VAL A 47 3.944 -5.983 3.859 1.00 0.00 H ATOM 655 HG12 VAL A 47 2.396 -5.113 3.992 1.00 0.00 H ATOM 656 HG13 VAL A 47 3.062 -5.967 5.406 1.00 0.00 H ATOM 657 HG21 VAL A 47 0.256 -6.408 4.222 1.00 0.00 H ATOM 658 HG22 VAL A 47 0.307 -8.186 4.304 1.00 0.00 H ATOM 659 HG23 VAL A 47 0.948 -7.214 5.651 1.00 0.00 H ATOM 660 H VAL A 47 1.812 -9.442 2.936 1.00 0.00 H ATOM 661 N ASP A 48 4.034 -7.889 1.144 1.00 0.00 N ATOM 662 CA ASP A 48 5.274 -7.560 0.411 1.00 0.00 C ATOM 663 C ASP A 48 4.907 -7.028 -0.969 1.00 0.00 C ATOM 664 O ASP A 48 5.593 -6.197 -1.529 1.00 0.00 O ATOM 665 CB ASP A 48 6.047 -8.870 0.312 1.00 0.00 C ATOM 666 CG ASP A 48 6.810 -9.117 1.616 1.00 0.00 C ATOM 667 OD1 ASP A 48 6.162 -9.323 2.629 1.00 0.00 O ATOM 668 OD2 ASP A 48 8.029 -9.093 1.578 1.00 0.00 O ATOM 669 HA ASP A 48 5.872 -6.795 0.906 1.00 0.00 H ATOM 670 HB2 ASP A 48 5.350 -9.690 0.138 1.00 0.00 H ATOM 671 HB3 ASP A 48 6.753 -8.813 -0.516 1.00 0.00 H ATOM 672 H ASP A 48 3.741 -8.881 1.256 1.00 0.00 H ATOM 673 N ILE A 49 3.810 -7.485 -1.512 1.00 0.00 N ATOM 674 CA ILE A 49 3.384 -6.980 -2.842 1.00 0.00 C ATOM 675 C ILE A 49 2.638 -5.671 -2.646 1.00 0.00 C ATOM 676 O ILE A 49 2.797 -4.723 -3.388 1.00 0.00 O ATOM 677 CB ILE A 49 2.438 -8.032 -3.411 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.038 -9.420 -3.221 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.224 -7.762 -4.901 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.466 -9.433 -3.753 1.00 0.00 C ATOM 681 HA ILE A 49 4.228 -6.808 -3.509 1.00 0.00 H ATOM 682 HB ILE A 49 1.482 -7.984 -2.890 1.00 0.00 H ATOM 683 HG12 ILE A 49 3.043 -9.672 -2.161 1.00 0.00 H ATOM 684 HG13 ILE A 49 2.441 -10.152 -3.765 1.00 0.00 H ATOM 685 HD11 ILE A 49 4.460 -9.181 -4.813 1.00 0.00 H ATOM 686 HD12 ILE A 49 5.062 -8.701 -3.208 1.00 0.00 H ATOM 687 HD13 ILE A 49 4.894 -10.426 -3.617 1.00 0.00 H ATOM 688 HG21 ILE A 49 1.790 -6.770 -5.031 1.00 0.00 H ATOM 689 HG22 ILE A 49 3.182 -7.812 -5.419 1.00 0.00 H ATOM 690 HG23 ILE A 49 1.548 -8.512 -5.311 1.00 0.00 H ATOM 691 H ILE A 49 3.238 -8.198 -1.016 1.00 0.00 H ATOM 692 N LEU A 50 1.830 -5.620 -1.629 1.00 0.00 N ATOM 693 CA LEU A 50 1.065 -4.383 -1.343 1.00 0.00 C ATOM 694 C LEU A 50 2.016 -3.328 -0.790 1.00 0.00 C ATOM 695 O LEU A 50 1.835 -2.142 -0.988 1.00 0.00 O ATOM 696 CB LEU A 50 0.044 -4.775 -0.280 1.00 0.00 C ATOM 697 CG LEU A 50 -0.605 -6.118 -0.632 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.800 -6.363 0.291 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.079 -6.097 -2.087 1.00 0.00 C ATOM 700 HA LEU A 50 0.583 -3.974 -2.231 1.00 0.00 H ATOM 701 HB2 LEU A 50 0.544 -4.859 0.685 1.00 0.00 H ATOM 702 HB3 LEU A 50 -0.727 -4.007 -0.222 1.00 0.00 H ATOM 703 HG LEU A 50 0.125 -6.917 -0.503 1.00 0.00 H ATOM 704 HD21 LEU A 50 -1.808 -5.297 -2.219 1.00 0.00 H ATOM 705 HD22 LEU A 50 -0.226 -5.924 -2.743 1.00 0.00 H ATOM 706 HD23 LEU A 50 -1.539 -7.054 -2.332 1.00 0.00 H ATOM 707 HD11 LEU A 50 -1.460 -6.383 1.326 1.00 0.00 H ATOM 708 HD12 LEU A 50 -2.528 -5.562 0.162 1.00 0.00 H ATOM 709 HD13 LEU A 50 -2.261 -7.318 0.040 1.00 0.00 H ATOM 710 H LEU A 50 1.720 -6.451 -1.013 1.00 0.00 H ATOM 711 N GLY A 51 3.045 -3.756 -0.111 1.00 0.00 N ATOM 712 CA GLY A 51 4.021 -2.777 0.438 1.00 0.00 C ATOM 713 C GLY A 51 4.782 -2.182 -0.733 1.00 0.00 C ATOM 714 O GLY A 51 5.290 -1.082 -0.676 1.00 0.00 O ATOM 715 HA3 GLY A 51 4.712 -3.280 1.114 1.00 0.00 H ATOM 716 HA2 GLY A 51 3.495 -1.990 0.978 1.00 0.00 H ATOM 717 H GLY A 51 3.182 -4.775 0.045 1.00 0.00 H ATOM 718 N ARG A 52 4.848 -2.913 -1.806 1.00 0.00 N ATOM 719 CA ARG A 52 5.556 -2.417 -3.009 1.00 0.00 C ATOM 720 C ARG A 52 4.550 -1.891 -4.028 1.00 0.00 C ATOM 721 O ARG A 52 4.829 -0.965 -4.764 1.00 0.00 O ATOM 722 CB ARG A 52 6.279 -3.636 -3.560 1.00 0.00 C ATOM 723 CG ARG A 52 7.713 -3.256 -3.920 1.00 0.00 C ATOM 724 CD ARG A 52 8.290 -4.307 -4.866 1.00 0.00 C ATOM 725 NE ARG A 52 8.296 -5.572 -4.079 1.00 0.00 N ATOM 726 CZ ARG A 52 9.353 -6.337 -4.083 1.00 0.00 C ATOM 727 NH1 ARG A 52 10.169 -6.316 -5.102 1.00 0.00 N ATOM 728 NH2 ARG A 52 9.594 -7.121 -3.070 1.00 0.00 N ATOM 729 HA ARG A 52 6.240 -1.599 -2.783 1.00 0.00 H ATOM 730 HB2 ARG A 52 6.290 -4.424 -2.807 1.00 0.00 H ATOM 731 HB3 ARG A 52 5.763 -3.993 -4.451 1.00 0.00 H ATOM 732 HG2 ARG A 52 7.720 -2.282 -4.409 1.00 0.00 H ATOM 733 HG3 ARG A 52 8.317 -3.211 -3.014 1.00 0.00 H ATOM 734 HD2 ARG A 52 9.302 -4.038 -5.167 1.00 0.00 H ATOM 735 HD3 ARG A 52 7.664 -4.410 -5.753 1.00 0.00 H ATOM 736 HE ARG A 52 7.458 -5.845 -3.527 1.00 0.00 H ATOM 737 HH12 ARG A 52 11.012 -6.925 -5.106 1.00 0.00 H ATOM 738 HH11 ARG A 52 9.976 -5.690 -5.910 1.00 0.00 H ATOM 739 HH22 ARG A 52 10.437 -7.731 -3.073 1.00 0.00 H ATOM 740 HH21 ARG A 52 8.944 -7.137 -2.258 1.00 0.00 H ATOM 741 H ARG A 52 4.401 -3.852 -1.820 1.00 0.00 H ATOM 742 N VAL A 53 3.374 -2.460 -4.075 1.00 0.00 N ATOM 743 CA VAL A 53 2.368 -1.955 -5.048 1.00 0.00 C ATOM 744 C VAL A 53 1.869 -0.603 -4.562 1.00 0.00 C ATOM 745 O VAL A 53 1.574 0.282 -5.339 1.00 0.00 O ATOM 746 CB VAL A 53 1.238 -2.987 -5.051 1.00 0.00 C ATOM 747 CG1 VAL A 53 -0.008 -2.391 -5.711 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.678 -4.226 -5.838 1.00 0.00 C ATOM 749 HA VAL A 53 2.772 -1.826 -6.052 1.00 0.00 H ATOM 750 HB VAL A 53 1.007 -3.265 -4.023 1.00 0.00 H ATOM 751 HG11 VAL A 53 -0.326 -1.509 -5.154 1.00 0.00 H ATOM 752 HG12 VAL A 53 0.226 -2.109 -6.738 1.00 0.00 H ATOM 753 HG13 VAL A 53 -0.808 -3.131 -5.709 1.00 0.00 H ATOM 754 HG21 VAL A 53 1.911 -3.940 -6.863 1.00 0.00 H ATOM 755 HG22 VAL A 53 2.563 -4.657 -5.370 1.00 0.00 H ATOM 756 HG23 VAL A 53 0.872 -4.960 -5.839 1.00 0.00 H ATOM 757 H VAL A 53 3.145 -3.253 -3.442 1.00 0.00 H ATOM 758 N TRP A 54 1.784 -0.435 -3.274 1.00 0.00 N ATOM 759 CA TRP A 54 1.318 0.863 -2.734 1.00 0.00 C ATOM 760 C TRP A 54 2.413 1.919 -2.905 1.00 0.00 C ATOM 761 O TRP A 54 2.172 2.990 -3.412 1.00 0.00 O ATOM 762 CB TRP A 54 1.046 0.624 -1.244 1.00 0.00 C ATOM 763 CG TRP A 54 1.059 1.944 -0.545 1.00 0.00 C ATOM 764 CD1 TRP A 54 2.180 2.624 -0.224 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.061 2.763 -0.110 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.827 3.813 0.370 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.452 3.946 0.474 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.456 2.596 -0.163 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.394 4.931 0.986 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.311 3.584 0.354 1.00 0.00 C ATOM 771 CH2 TRP A 54 -1.781 4.748 0.927 1.00 0.00 C ATOM 772 HA TRP A 54 0.428 1.221 -3.251 1.00 0.00 H ATOM 773 HB2 TRP A 54 0.072 0.150 -1.119 1.00 0.00 H ATOM 774 HB3 TRP A 54 1.819 -0.021 -0.827 1.00 0.00 H ATOM 775 HE1 TRP A 54 2.509 4.525 0.701 1.00 0.00 H ATOM 776 HD1 TRP A 54 3.200 2.285 -0.406 1.00 0.00 H ATOM 777 HZ2 TRP A 54 0.022 5.836 1.429 1.00 0.00 H ATOM 778 HH2 TRP A 54 -2.449 5.511 1.327 1.00 0.00 H ATOM 779 HZ3 TRP A 54 -3.391 3.444 0.309 1.00 0.00 H ATOM 780 HE3 TRP A 54 -1.877 1.694 -0.608 1.00 0.00 H ATOM 781 H TRP A 54 2.042 -1.208 -2.628 1.00 0.00 H ATOM 782 N GLU A 55 3.611 1.639 -2.462 1.00 0.00 N ATOM 783 CA GLU A 55 4.689 2.657 -2.588 1.00 0.00 C ATOM 784 C GLU A 55 4.770 3.159 -4.026 1.00 0.00 C ATOM 785 O GLU A 55 4.617 4.334 -4.292 1.00 0.00 O ATOM 786 CB GLU A 55 5.974 1.948 -2.184 1.00 0.00 C ATOM 787 CG GLU A 55 5.993 1.742 -0.671 1.00 0.00 C ATOM 788 CD GLU A 55 6.990 2.713 -0.038 1.00 0.00 C ATOM 789 OE1 GLU A 55 7.188 3.778 -0.600 1.00 0.00 O ATOM 790 OE2 GLU A 55 7.541 2.375 0.996 1.00 0.00 O ATOM 791 HA GLU A 55 4.506 3.528 -1.959 1.00 0.00 H ATOM 792 HB2 GLU A 55 6.027 0.980 -2.683 1.00 0.00 H ATOM 793 HB3 GLU A 55 6.831 2.554 -2.478 1.00 0.00 H ATOM 794 HG2 GLU A 55 4.998 1.927 -0.266 1.00 0.00 H ATOM 795 HG3 GLU A 55 6.291 0.718 -0.447 1.00 0.00 H ATOM 796 H GLU A 55 3.808 0.715 -2.027 1.00 0.00 H ATOM 797 N LEU A 56 4.990 2.280 -4.959 1.00 0.00 N ATOM 798 CA LEU A 56 5.056 2.724 -6.377 1.00 0.00 C ATOM 799 C LEU A 56 3.708 3.339 -6.767 1.00 0.00 C ATOM 800 O LEU A 56 3.584 4.017 -7.767 1.00 0.00 O ATOM 801 CB LEU A 56 5.341 1.460 -7.194 1.00 0.00 C ATOM 802 CG LEU A 56 6.669 0.844 -6.743 1.00 0.00 C ATOM 803 CD1 LEU A 56 6.587 -0.679 -6.856 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.807 1.357 -7.637 1.00 0.00 C ATOM 805 HA LEU A 56 5.825 3.477 -6.549 1.00 0.00 H ATOM 806 HB2 LEU A 56 4.537 0.740 -7.041 1.00 0.00 H ATOM 807 HB3 LEU A 56 5.401 1.717 -8.252 1.00 0.00 H ATOM 808 HG LEU A 56 6.864 1.126 -5.709 1.00 0.00 H ATOM 809 HD21 LEU A 56 7.610 1.075 -8.671 1.00 0.00 H ATOM 810 HD22 LEU A 56 7.867 2.443 -7.560 1.00 0.00 H ATOM 811 HD23 LEU A 56 8.749 0.916 -7.312 1.00 0.00 H ATOM 812 HD11 LEU A 56 5.781 -1.046 -6.221 1.00 0.00 H ATOM 813 HD12 LEU A 56 6.390 -0.955 -7.892 1.00 0.00 H ATOM 814 HD13 LEU A 56 7.532 -1.117 -6.535 1.00 0.00 H ATOM 815 H LEU A 56 5.118 1.277 -4.716 1.00 0.00 H ATOM 816 N SER A 57 2.700 3.112 -5.965 1.00 0.00 N ATOM 817 CA SER A 57 1.354 3.685 -6.257 1.00 0.00 C ATOM 818 C SER A 57 1.188 5.018 -5.517 1.00 0.00 C ATOM 819 O SER A 57 0.513 5.918 -5.977 1.00 0.00 O ATOM 820 CB SER A 57 0.364 2.652 -5.722 1.00 0.00 C ATOM 821 OG SER A 57 -0.880 3.288 -5.460 1.00 0.00 O ATOM 822 HA SER A 57 1.203 3.882 -7.318 1.00 0.00 H ATOM 823 HB2 SER A 57 0.752 2.217 -4.801 1.00 0.00 H ATOM 824 HB3 SER A 57 0.222 1.865 -6.462 1.00 0.00 H ATOM 825 HG SER A 57 -1.231 3.682 -6.298 1.00 0.00 H ATOM 826 H SER A 57 2.838 2.527 -5.116 1.00 0.00 H ATOM 827 N ASP A 58 1.802 5.143 -4.370 1.00 0.00 N ATOM 828 CA ASP A 58 1.690 6.405 -3.586 1.00 0.00 C ATOM 829 C ASP A 58 2.499 7.517 -4.258 1.00 0.00 C ATOM 830 O ASP A 58 3.651 7.738 -3.940 1.00 0.00 O ATOM 831 CB ASP A 58 2.279 6.073 -2.213 1.00 0.00 C ATOM 832 CG ASP A 58 1.420 6.711 -1.118 1.00 0.00 C ATOM 833 OD1 ASP A 58 0.528 7.471 -1.457 1.00 0.00 O ATOM 834 OD2 ASP A 58 1.671 6.430 0.043 1.00 0.00 O ATOM 835 HA ASP A 58 0.661 6.756 -3.515 1.00 0.00 H ATOM 836 HB2 ASP A 58 2.296 4.992 -2.077 1.00 0.00 H ATOM 837 HB3 ASP A 58 3.295 6.462 -2.150 1.00 0.00 H ATOM 838 H ASP A 58 2.373 4.356 -4.002 1.00 0.00 H ATOM 839 N ILE A 59 1.910 8.216 -5.188 1.00 0.00 N ATOM 840 CA ILE A 59 2.655 9.308 -5.874 1.00 0.00 C ATOM 841 C ILE A 59 2.974 10.433 -4.883 1.00 0.00 C ATOM 842 O ILE A 59 3.972 11.115 -5.007 1.00 0.00 O ATOM 843 CB ILE A 59 1.717 9.805 -6.972 1.00 0.00 C ATOM 844 CG1 ILE A 59 1.358 8.644 -7.909 1.00 0.00 C ATOM 845 CG2 ILE A 59 2.410 10.910 -7.769 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.579 8.242 -8.737 1.00 0.00 C ATOM 847 HA ILE A 59 3.606 8.966 -6.281 1.00 0.00 H ATOM 848 HB ILE A 59 0.806 10.198 -6.521 1.00 0.00 H ATOM 849 HG12 ILE A 59 1.027 7.791 -7.317 1.00 0.00 H ATOM 850 HG13 ILE A 59 0.555 8.954 -8.577 1.00 0.00 H ATOM 851 HD11 ILE A 59 2.910 9.094 -9.331 1.00 0.00 H ATOM 852 HD12 ILE A 59 3.382 7.929 -8.070 1.00 0.00 H ATOM 853 HD13 ILE A 59 2.313 7.417 -9.398 1.00 0.00 H ATOM 854 HG21 ILE A 59 2.660 11.735 -7.102 1.00 0.00 H ATOM 855 HG22 ILE A 59 3.321 10.515 -8.219 1.00 0.00 H ATOM 856 HG23 ILE A 59 1.741 11.265 -8.553 1.00 0.00 H ATOM 857 H ILE A 59 0.924 8.012 -5.450 1.00 0.00 H ATOM 858 N ASP A 60 2.139 10.627 -3.896 1.00 0.00 N ATOM 859 CA ASP A 60 2.399 11.704 -2.895 1.00 0.00 C ATOM 860 C ASP A 60 3.032 11.104 -1.637 1.00 0.00 C ATOM 861 O ASP A 60 3.593 11.803 -0.816 1.00 0.00 O ATOM 862 CB ASP A 60 1.028 12.299 -2.569 1.00 0.00 C ATOM 863 CG ASP A 60 0.213 12.455 -3.853 1.00 0.00 C ATOM 864 OD1 ASP A 60 0.798 12.808 -4.863 1.00 0.00 O ATOM 865 OD2 ASP A 60 -0.982 12.215 -3.805 1.00 0.00 O ATOM 866 HA ASP A 60 3.085 12.461 -3.276 1.00 0.00 H ATOM 867 HB2 ASP A 60 0.500 11.637 -1.883 1.00 0.00 H ATOM 868 HB3 ASP A 60 1.159 13.275 -2.102 1.00 0.00 H ATOM 869 H ASP A 60 1.292 10.030 -3.808 1.00 0.00 H ATOM 870 N HIS A 61 2.945 9.811 -1.484 1.00 0.00 N ATOM 871 CA HIS A 61 3.539 9.157 -0.282 1.00 0.00 C ATOM 872 C HIS A 61 2.985 9.786 1.001 1.00 0.00 C ATOM 873 O HIS A 61 3.724 10.125 1.903 1.00 0.00 O ATOM 874 CB HIS A 61 5.044 9.413 -0.395 1.00 0.00 C ATOM 875 CG HIS A 61 5.552 8.870 -1.704 1.00 0.00 C ATOM 876 ND1 HIS A 61 5.815 7.522 -1.893 1.00 0.00 N ATOM 877 CD2 HIS A 61 5.849 9.480 -2.898 1.00 0.00 C ATOM 878 CE1 HIS A 61 6.249 7.367 -3.158 1.00 0.00 C ATOM 879 NE2 HIS A 61 6.289 8.530 -3.813 1.00 0.00 N ATOM 880 HA HIS A 61 3.305 8.093 -0.238 1.00 0.00 H ATOM 881 HB2 HIS A 61 5.234 10.485 -0.348 1.00 0.00 H ATOM 882 HB3 HIS A 61 5.559 8.918 0.428 1.00 0.00 H ATOM 883 HD2 HIS A 61 5.754 10.547 -3.098 1.00 0.00 H ATOM 884 HE1 HIS A 61 6.533 6.409 -3.594 1.00 0.00 H ATOM 885 H HIS A 61 2.460 9.235 -2.202 1.00 0.00 H ATOM 886 N ASP A 62 1.690 9.940 1.099 1.00 0.00 N ATOM 887 CA ASP A 62 1.112 10.540 2.334 1.00 0.00 C ATOM 888 C ASP A 62 0.109 9.572 2.961 1.00 0.00 C ATOM 889 O ASP A 62 -0.811 9.971 3.648 1.00 0.00 O ATOM 890 CB ASP A 62 0.408 11.817 1.870 1.00 0.00 C ATOM 891 CG ASP A 62 -0.393 11.529 0.600 1.00 0.00 C ATOM 892 OD1 ASP A 62 -0.596 10.363 0.302 1.00 0.00 O ATOM 893 OD2 ASP A 62 -0.790 12.479 -0.055 1.00 0.00 O ATOM 894 HA ASP A 62 1.872 10.750 3.087 1.00 0.00 H ATOM 895 HB2 ASP A 62 -0.266 12.165 2.653 1.00 0.00 H ATOM 896 HB3 ASP A 62 1.152 12.587 1.663 1.00 0.00 H ATOM 897 H ASP A 62 1.068 9.645 0.320 1.00 0.00 H ATOM 898 N GLY A 63 0.278 8.300 2.726 1.00 0.00 N ATOM 899 CA GLY A 63 -0.667 7.307 3.306 1.00 0.00 C ATOM 900 C GLY A 63 -2.006 7.393 2.572 1.00 0.00 C ATOM 901 O GLY A 63 -3.054 7.180 3.147 1.00 0.00 O ATOM 902 HA3 GLY A 63 -0.817 7.522 4.364 1.00 0.00 H ATOM 903 HA2 GLY A 63 -0.255 6.304 3.195 1.00 0.00 H ATOM 904 H GLY A 63 1.071 7.980 2.135 1.00 0.00 H ATOM 905 N MET A 64 -1.984 7.707 1.302 1.00 0.00 N ATOM 906 CA MET A 64 -3.265 7.807 0.544 1.00 0.00 C ATOM 907 C MET A 64 -3.057 7.472 -0.936 1.00 0.00 C ATOM 908 O MET A 64 -1.954 7.505 -1.444 1.00 0.00 O ATOM 909 CB MET A 64 -3.704 9.259 0.684 1.00 0.00 C ATOM 910 CG MET A 64 -4.324 9.485 2.057 1.00 0.00 C ATOM 911 SD MET A 64 -4.748 11.235 2.248 1.00 0.00 S ATOM 912 CE MET A 64 -6.539 11.022 2.404 1.00 0.00 C ATOM 913 HA MET A 64 -4.006 7.106 0.928 1.00 0.00 H ATOM 914 HB2 MET A 64 -2.839 9.911 0.566 1.00 0.00 H ATOM 915 HB3 MET A 64 -4.439 9.490 -0.087 1.00 0.00 H ATOM 916 HG2 MET A 64 -3.611 9.197 2.830 1.00 0.00 H ATOM 917 HG3 MET A 64 -5.226 8.880 2.153 1.00 0.00 H ATOM 918 HE1 MET A 64 -6.927 10.546 1.503 1.00 0.00 H ATOM 919 HE2 MET A 64 -6.755 10.395 3.269 1.00 0.00 H ATOM 920 HE3 MET A 64 -7.010 11.997 2.533 1.00 0.00 H ATOM 921 H MET A 64 -1.078 7.886 0.823 1.00 0.00 H ATOM 922 N LEU A 65 -4.117 7.164 -1.631 1.00 0.00 N ATOM 923 CA LEU A 65 -4.001 6.843 -3.083 1.00 0.00 C ATOM 924 C LEU A 65 -5.134 7.525 -3.860 1.00 0.00 C ATOM 925 O LEU A 65 -6.250 7.048 -3.888 1.00 0.00 O ATOM 926 CB LEU A 65 -4.141 5.323 -3.165 1.00 0.00 C ATOM 927 CG LEU A 65 -2.797 4.662 -2.861 1.00 0.00 C ATOM 928 CD1 LEU A 65 -2.914 3.154 -3.087 1.00 0.00 C ATOM 929 CD2 LEU A 65 -1.723 5.234 -3.790 1.00 0.00 C ATOM 930 HA LEU A 65 -3.060 7.190 -3.511 1.00 0.00 H ATOM 931 HB2 LEU A 65 -4.882 4.988 -2.439 1.00 0.00 H ATOM 932 HB3 LEU A 65 -4.464 5.043 -4.168 1.00 0.00 H ATOM 933 HG LEU A 65 -2.521 4.857 -1.825 1.00 0.00 H ATOM 934 HD21 LEU A 65 -1.998 5.037 -4.826 1.00 0.00 H ATOM 935 HD22 LEU A 65 -1.643 6.309 -3.632 1.00 0.00 H ATOM 936 HD23 LEU A 65 -0.766 4.761 -3.571 1.00 0.00 H ATOM 937 HD11 LEU A 65 -3.680 2.747 -2.426 1.00 0.00 H ATOM 938 HD12 LEU A 65 -3.189 2.964 -4.124 1.00 0.00 H ATOM 939 HD13 LEU A 65 -1.957 2.680 -2.871 1.00 0.00 H ATOM 940 H LEU A 65 -5.049 7.142 -1.170 1.00 0.00 H ATOM 941 N ASP A 66 -4.863 8.638 -4.491 1.00 0.00 N ATOM 942 CA ASP A 66 -5.940 9.332 -5.254 1.00 0.00 C ATOM 943 C ASP A 66 -6.295 8.536 -6.511 1.00 0.00 C ATOM 944 O ASP A 66 -5.608 7.607 -6.886 1.00 0.00 O ATOM 945 CB ASP A 66 -5.372 10.711 -5.613 1.00 0.00 C ATOM 946 CG ASP A 66 -4.234 10.573 -6.626 1.00 0.00 C ATOM 947 OD1 ASP A 66 -4.412 9.862 -7.602 1.00 0.00 O ATOM 948 OD2 ASP A 66 -3.204 11.191 -6.412 1.00 0.00 O ATOM 949 HA ASP A 66 -6.858 9.425 -4.673 1.00 0.00 H ATOM 950 HB2 ASP A 66 -6.163 11.325 -6.043 1.00 0.00 H ATOM 951 HB3 ASP A 66 -4.993 11.190 -4.710 1.00 0.00 H ATOM 952 H ASP A 66 -3.903 9.036 -4.461 1.00 0.00 H ATOM 953 N ARG A 67 -7.376 8.888 -7.152 1.00 0.00 N ATOM 954 CA ARG A 67 -7.802 8.152 -8.380 1.00 0.00 C ATOM 955 C ARG A 67 -6.597 7.764 -9.241 1.00 0.00 C ATOM 956 O ARG A 67 -6.493 6.647 -9.710 1.00 0.00 O ATOM 957 CB ARG A 67 -8.700 9.132 -9.131 1.00 0.00 C ATOM 958 CG ARG A 67 -7.954 10.451 -9.346 1.00 0.00 C ATOM 959 CD ARG A 67 -8.965 11.589 -9.507 1.00 0.00 C ATOM 960 NE ARG A 67 -8.141 12.829 -9.546 1.00 0.00 N ATOM 961 CZ ARG A 67 -8.668 13.974 -9.209 1.00 0.00 C ATOM 962 NH1 ARG A 67 -8.812 14.279 -7.949 1.00 0.00 N ATOM 963 NH2 ARG A 67 -9.049 14.814 -10.133 1.00 0.00 N ATOM 964 HA ARG A 67 -8.313 7.221 -8.135 1.00 0.00 H ATOM 965 HB2 ARG A 67 -8.973 8.707 -10.097 1.00 0.00 H ATOM 966 HB3 ARG A 67 -9.603 9.316 -8.549 1.00 0.00 H ATOM 967 HG2 ARG A 67 -7.315 10.651 -8.486 1.00 0.00 H ATOM 968 HG3 ARG A 67 -7.341 10.380 -10.244 1.00 0.00 H ATOM 969 HD2 ARG A 67 -9.655 11.612 -8.663 1.00 0.00 H ATOM 970 HD3 ARG A 67 -9.529 11.473 -10.432 1.00 0.00 H ATOM 971 HE ARG A 67 -7.145 12.782 -9.842 1.00 0.00 H ATOM 972 HH12 ARG A 67 -9.232 15.191 -7.680 1.00 0.00 H ATOM 973 HH11 ARG A 67 -8.507 13.610 -7.214 1.00 0.00 H ATOM 974 HH22 ARG A 67 -9.469 15.727 -9.865 1.00 0.00 H ATOM 975 HH21 ARG A 67 -8.932 14.570 -11.137 1.00 0.00 H ATOM 976 H ARG A 67 -7.945 9.687 -6.805 1.00 0.00 H ATOM 977 N ASP A 68 -5.693 8.673 -9.461 1.00 0.00 N ATOM 978 CA ASP A 68 -4.503 8.353 -10.302 1.00 0.00 C ATOM 979 C ASP A 68 -3.521 7.473 -9.530 1.00 0.00 C ATOM 980 O ASP A 68 -2.882 6.604 -10.089 1.00 0.00 O ATOM 981 CB ASP A 68 -3.866 9.704 -10.625 1.00 0.00 C ATOM 982 CG ASP A 68 -4.378 10.201 -11.978 1.00 0.00 C ATOM 983 OD1 ASP A 68 -4.546 9.378 -12.864 1.00 0.00 O ATOM 984 OD2 ASP A 68 -4.590 11.395 -12.107 1.00 0.00 O ATOM 985 HA ASP A 68 -4.778 7.804 -11.203 1.00 0.00 H ATOM 986 HB2 ASP A 68 -4.129 10.424 -9.850 1.00 0.00 H ATOM 987 HB3 ASP A 68 -2.782 9.594 -10.665 1.00 0.00 H ATOM 988 H ASP A 68 -5.800 9.623 -9.051 1.00 0.00 H ATOM 989 N GLU A 69 -3.396 7.684 -8.250 1.00 0.00 N ATOM 990 CA GLU A 69 -2.455 6.849 -7.451 1.00 0.00 C ATOM 991 C GLU A 69 -3.068 5.475 -7.220 1.00 0.00 C ATOM 992 O GLU A 69 -2.410 4.459 -7.326 1.00 0.00 O ATOM 993 CB GLU A 69 -2.292 7.589 -6.128 1.00 0.00 C ATOM 994 CG GLU A 69 -1.642 8.941 -6.394 1.00 0.00 C ATOM 995 CD GLU A 69 -1.560 9.738 -5.092 1.00 0.00 C ATOM 996 OE1 GLU A 69 -2.591 9.925 -4.467 1.00 0.00 O ATOM 997 OE2 GLU A 69 -0.466 10.146 -4.742 1.00 0.00 O ATOM 998 HA GLU A 69 -1.497 6.701 -7.950 1.00 0.00 H ATOM 999 HB2 GLU A 69 -3.269 7.737 -5.669 1.00 0.00 H ATOM 1000 HB3 GLU A 69 -1.661 7.005 -5.457 1.00 0.00 H ATOM 1001 HG2 GLU A 69 -0.638 8.789 -6.790 1.00 0.00 H ATOM 1002 HG3 GLU A 69 -2.238 9.493 -7.120 1.00 0.00 H ATOM 1003 H GLU A 69 -3.951 8.432 -7.788 1.00 0.00 H ATOM 1004 N PHE A 70 -4.330 5.439 -6.914 1.00 0.00 N ATOM 1005 CA PHE A 70 -4.995 4.135 -6.688 1.00 0.00 C ATOM 1006 C PHE A 70 -5.024 3.347 -7.995 1.00 0.00 C ATOM 1007 O PHE A 70 -5.173 2.141 -8.003 1.00 0.00 O ATOM 1008 CB PHE A 70 -6.410 4.488 -6.242 1.00 0.00 C ATOM 1009 CG PHE A 70 -7.026 3.291 -5.570 1.00 0.00 C ATOM 1010 CD1 PHE A 70 -7.420 2.187 -6.334 1.00 0.00 C ATOM 1011 CD2 PHE A 70 -7.202 3.283 -4.183 1.00 0.00 C ATOM 1012 CE1 PHE A 70 -7.989 1.075 -5.709 1.00 0.00 C ATOM 1013 CE2 PHE A 70 -7.771 2.170 -3.558 1.00 0.00 C ATOM 1014 CZ PHE A 70 -8.166 1.067 -4.321 1.00 0.00 C ATOM 1015 HA PHE A 70 -4.481 3.520 -5.949 1.00 0.00 H ATOM 1016 HB2 PHE A 70 -6.375 5.323 -5.542 1.00 0.00 H ATOM 1017 HB3 PHE A 70 -7.008 4.768 -7.110 1.00 0.00 H ATOM 1018 HD2 PHE A 70 -6.896 4.144 -3.589 1.00 0.00 H ATOM 1019 HE2 PHE A 70 -7.907 2.162 -2.477 1.00 0.00 H ATOM 1020 HZ PHE A 70 -8.612 0.200 -3.834 1.00 0.00 H ATOM 1021 HE1 PHE A 70 -8.295 0.213 -6.302 1.00 0.00 H ATOM 1022 HD1 PHE A 70 -7.283 2.195 -7.415 1.00 0.00 H ATOM 1023 H PHE A 70 -4.871 6.323 -6.828 1.00 0.00 H ATOM 1024 N ALA A 71 -4.872 4.021 -9.103 1.00 0.00 N ATOM 1025 CA ALA A 71 -4.884 3.303 -10.408 1.00 0.00 C ATOM 1026 C ALA A 71 -3.555 2.573 -10.603 1.00 0.00 C ATOM 1027 O ALA A 71 -3.512 1.413 -10.967 1.00 0.00 O ATOM 1028 CB ALA A 71 -5.058 4.399 -11.461 1.00 0.00 C ATOM 1029 HA ALA A 71 -5.675 2.556 -10.470 1.00 0.00 H ATOM 1030 HB1 ALA A 71 -5.995 4.927 -11.283 1.00 0.00 H ATOM 1031 HB2 ALA A 71 -4.226 5.100 -11.395 1.00 0.00 H ATOM 1032 HB3 ALA A 71 -5.076 3.948 -12.453 1.00 0.00 H ATOM 1033 H ALA A 71 -4.743 5.053 -9.074 1.00 0.00 H ATOM 1034 N VAL A 72 -2.473 3.251 -10.350 1.00 0.00 N ATOM 1035 CA VAL A 72 -1.134 2.618 -10.501 1.00 0.00 C ATOM 1036 C VAL A 72 -1.031 1.392 -9.587 1.00 0.00 C ATOM 1037 O VAL A 72 -0.316 0.447 -9.867 1.00 0.00 O ATOM 1038 CB VAL A 72 -0.146 3.704 -10.061 1.00 0.00 C ATOM 1039 CG1 VAL A 72 1.280 3.163 -10.146 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -0.280 4.927 -10.977 1.00 0.00 C ATOM 1041 HA VAL A 72 -0.940 2.274 -11.517 1.00 0.00 H ATOM 1042 HB VAL A 72 -0.366 3.994 -9.034 1.00 0.00 H ATOM 1043 HG11 VAL A 72 1.378 2.296 -9.492 1.00 0.00 H ATOM 1044 HG12 VAL A 72 1.496 2.871 -11.174 1.00 0.00 H ATOM 1045 HG13 VAL A 72 1.980 3.937 -9.833 1.00 0.00 H ATOM 1046 HG21 VAL A 72 -0.063 4.635 -12.005 1.00 0.00 H ATOM 1047 HG22 VAL A 72 -1.296 5.316 -10.915 1.00 0.00 H ATOM 1048 HG23 VAL A 72 0.425 5.696 -10.660 1.00 0.00 H ATOM 1049 H VAL A 72 -2.544 4.241 -10.040 1.00 0.00 H ATOM 1050 N ALA A 73 -1.738 1.409 -8.491 1.00 0.00 N ATOM 1051 CA ALA A 73 -1.680 0.260 -7.542 1.00 0.00 C ATOM 1052 C ALA A 73 -2.742 -0.794 -7.882 1.00 0.00 C ATOM 1053 O ALA A 73 -2.804 -1.840 -7.267 1.00 0.00 O ATOM 1054 CB ALA A 73 -1.965 0.883 -6.178 1.00 0.00 C ATOM 1055 HA ALA A 73 -0.720 -0.254 -7.579 1.00 0.00 H ATOM 1056 HB1 ALA A 73 -1.206 1.634 -5.957 1.00 0.00 H ATOM 1057 HB2 ALA A 73 -2.949 1.352 -6.193 1.00 0.00 H ATOM 1058 HB3 ALA A 73 -1.942 0.106 -5.413 1.00 0.00 H ATOM 1059 H ALA A 73 -2.344 2.227 -8.278 1.00 0.00 H ATOM 1060 N MET A 74 -3.576 -0.536 -8.850 1.00 0.00 N ATOM 1061 CA MET A 74 -4.624 -1.535 -9.213 1.00 0.00 C ATOM 1062 C MET A 74 -4.057 -2.561 -10.184 1.00 0.00 C ATOM 1063 O MET A 74 -4.198 -3.753 -9.995 1.00 0.00 O ATOM 1064 CB MET A 74 -5.731 -0.721 -9.877 1.00 0.00 C ATOM 1065 CG MET A 74 -6.607 -0.076 -8.806 1.00 0.00 C ATOM 1066 SD MET A 74 -7.859 -1.264 -8.268 1.00 0.00 S ATOM 1067 CE MET A 74 -6.890 -2.013 -6.938 1.00 0.00 C ATOM 1068 HA MET A 74 -4.989 -2.087 -8.347 1.00 0.00 H ATOM 1069 HB2 MET A 74 -5.287 0.056 -10.499 1.00 0.00 H ATOM 1070 HB3 MET A 74 -6.341 -1.377 -10.498 1.00 0.00 H ATOM 1071 HG2 MET A 74 -7.095 0.808 -9.217 1.00 0.00 H ATOM 1072 HG3 MET A 74 -5.990 0.214 -7.956 1.00 0.00 H ATOM 1073 HE1 MET A 74 -5.981 -2.448 -7.353 1.00 0.00 H ATOM 1074 HE2 MET A 74 -6.627 -1.249 -6.207 1.00 0.00 H ATOM 1075 HE3 MET A 74 -7.480 -2.792 -6.455 1.00 0.00 H ATOM 1076 H MET A 74 -3.511 0.363 -9.368 1.00 0.00 H ATOM 1077 N PHE A 75 -3.397 -2.117 -11.210 1.00 0.00 N ATOM 1078 CA PHE A 75 -2.806 -3.088 -12.163 1.00 0.00 C ATOM 1079 C PHE A 75 -1.601 -3.730 -11.480 1.00 0.00 C ATOM 1080 O PHE A 75 -1.286 -4.885 -11.691 1.00 0.00 O ATOM 1081 CB PHE A 75 -2.405 -2.267 -13.397 1.00 0.00 C ATOM 1082 CG PHE A 75 -1.009 -1.727 -13.228 1.00 0.00 C ATOM 1083 CD1 PHE A 75 -0.811 -0.519 -12.559 1.00 0.00 C ATOM 1084 CD2 PHE A 75 0.084 -2.440 -13.733 1.00 0.00 C ATOM 1085 CE1 PHE A 75 0.480 -0.019 -12.393 1.00 0.00 C ATOM 1086 CE2 PHE A 75 1.379 -1.942 -13.566 1.00 0.00 C ATOM 1087 CZ PHE A 75 1.579 -0.730 -12.897 1.00 0.00 C ATOM 1088 HA PHE A 75 -3.484 -3.888 -12.461 1.00 0.00 H ATOM 1089 HB2 PHE A 75 -2.441 -2.903 -14.281 1.00 0.00 H ATOM 1090 HB3 PHE A 75 -3.101 -1.437 -13.520 1.00 0.00 H ATOM 1091 HD2 PHE A 75 -0.075 -3.383 -14.256 1.00 0.00 H ATOM 1092 HE2 PHE A 75 2.232 -2.497 -13.956 1.00 0.00 H ATOM 1093 HZ PHE A 75 2.588 -0.338 -12.767 1.00 0.00 H ATOM 1094 HE1 PHE A 75 0.635 0.925 -11.871 1.00 0.00 H ATOM 1095 HD1 PHE A 75 -1.665 0.033 -12.166 1.00 0.00 H ATOM 1096 H PHE A 75 -3.284 -1.094 -11.362 1.00 0.00 H ATOM 1097 N LEU A 76 -0.947 -2.980 -10.631 1.00 0.00 N ATOM 1098 CA LEU A 76 0.217 -3.535 -9.897 1.00 0.00 C ATOM 1099 C LEU A 76 -0.266 -4.690 -9.019 1.00 0.00 C ATOM 1100 O LEU A 76 0.480 -5.584 -8.675 1.00 0.00 O ATOM 1101 CB LEU A 76 0.742 -2.377 -9.046 1.00 0.00 C ATOM 1102 CG LEU A 76 1.972 -1.766 -9.720 1.00 0.00 C ATOM 1103 CD1 LEU A 76 2.575 -0.692 -8.813 1.00 0.00 C ATOM 1104 CD2 LEU A 76 3.010 -2.862 -9.973 1.00 0.00 C ATOM 1105 HA LEU A 76 0.997 -3.922 -10.552 1.00 0.00 H ATOM 1106 HB2 LEU A 76 -0.034 -1.617 -8.947 1.00 0.00 H ATOM 1107 HB3 LEU A 76 1.015 -2.747 -8.058 1.00 0.00 H ATOM 1108 HG LEU A 76 1.679 -1.315 -10.668 1.00 0.00 H ATOM 1109 HD21 LEU A 76 3.300 -3.312 -9.024 1.00 0.00 H ATOM 1110 HD22 LEU A 76 2.580 -3.625 -10.622 1.00 0.00 H ATOM 1111 HD23 LEU A 76 3.886 -2.427 -10.453 1.00 0.00 H ATOM 1112 HD11 LEU A 76 1.835 0.088 -8.634 1.00 0.00 H ATOM 1113 HD12 LEU A 76 2.868 -1.142 -7.864 1.00 0.00 H ATOM 1114 HD13 LEU A 76 3.451 -0.259 -9.297 1.00 0.00 H ATOM 1115 H LEU A 76 -1.243 -1.996 -10.471 1.00 0.00 H ATOM 1116 N VAL A 77 -1.527 -4.677 -8.675 1.00 0.00 N ATOM 1117 CA VAL A 77 -2.096 -5.770 -7.841 1.00 0.00 C ATOM 1118 C VAL A 77 -2.646 -6.867 -8.748 1.00 0.00 C ATOM 1119 O VAL A 77 -2.385 -8.039 -8.557 1.00 0.00 O ATOM 1120 CB VAL A 77 -3.231 -5.109 -7.053 1.00 0.00 C ATOM 1121 CG1 VAL A 77 -4.044 -6.180 -6.322 1.00 0.00 C ATOM 1122 CG2 VAL A 77 -2.640 -4.140 -6.031 1.00 0.00 C ATOM 1123 HA VAL A 77 -1.358 -6.229 -7.183 1.00 0.00 H ATOM 1124 HB VAL A 77 -3.881 -4.568 -7.741 1.00 0.00 H ATOM 1125 HG11 VAL A 77 -4.465 -6.874 -7.049 1.00 0.00 H ATOM 1126 HG12 VAL A 77 -3.394 -6.722 -5.635 1.00 0.00 H ATOM 1127 HG13 VAL A 77 -4.850 -5.704 -5.763 1.00 0.00 H ATOM 1128 HG21 VAL A 77 -1.991 -4.687 -5.347 1.00 0.00 H ATOM 1129 HG22 VAL A 77 -2.062 -3.375 -6.549 1.00 0.00 H ATOM 1130 HG23 VAL A 77 -3.447 -3.669 -5.470 1.00 0.00 H ATOM 1131 H VAL A 77 -2.138 -3.896 -8.987 1.00 0.00 H ATOM 1132 N TYR A 78 -3.409 -6.491 -9.736 1.00 0.00 N ATOM 1133 CA TYR A 78 -3.988 -7.502 -10.661 1.00 0.00 C ATOM 1134 C TYR A 78 -2.892 -8.152 -11.505 1.00 0.00 C ATOM 1135 O TYR A 78 -2.982 -9.308 -11.871 1.00 0.00 O ATOM 1136 CB TYR A 78 -4.953 -6.719 -11.545 1.00 0.00 C ATOM 1137 CG TYR A 78 -6.345 -6.861 -10.989 1.00 0.00 C ATOM 1138 CD1 TYR A 78 -6.903 -8.133 -10.827 1.00 0.00 C ATOM 1139 CD2 TYR A 78 -7.070 -5.723 -10.625 1.00 0.00 C ATOM 1140 CE1 TYR A 78 -8.194 -8.268 -10.303 1.00 0.00 C ATOM 1141 CE2 TYR A 78 -8.359 -5.855 -10.099 1.00 0.00 C ATOM 1142 CZ TYR A 78 -8.924 -7.128 -9.938 1.00 0.00 C ATOM 1143 OH TYR A 78 -10.195 -7.261 -9.418 1.00 0.00 O ATOM 1144 HA TYR A 78 -4.486 -8.310 -10.124 1.00 0.00 H ATOM 1145 HB3 TYR A 78 -4.922 -7.113 -12.561 1.00 0.00 H ATOM 1146 HB2 TYR A 78 -4.668 -5.667 -11.556 1.00 0.00 H ATOM 1147 HD2 TYR A 78 -6.631 -4.733 -10.751 1.00 0.00 H ATOM 1148 HE2 TYR A 78 -8.925 -4.968 -9.814 1.00 0.00 H ATOM 1149 HE1 TYR A 78 -8.631 -9.259 -10.179 1.00 0.00 H ATOM 1150 HD1 TYR A 78 -6.333 -9.019 -11.108 1.00 0.00 H ATOM 1151 HH TYR A 78 -10.434 -8.221 -9.374 1.00 0.00 H ATOM 1152 H TYR A 78 -3.613 -5.481 -9.878 1.00 0.00 H ATOM 1153 N CYS A 79 -1.860 -7.422 -11.817 1.00 0.00 N ATOM 1154 CA CYS A 79 -0.768 -8.007 -12.637 1.00 0.00 C ATOM 1155 C CYS A 79 0.193 -8.788 -11.745 1.00 0.00 C ATOM 1156 O CYS A 79 1.031 -9.527 -12.219 1.00 0.00 O ATOM 1157 CB CYS A 79 -0.063 -6.812 -13.275 1.00 0.00 C ATOM 1158 SG CYS A 79 -1.187 -6.001 -14.438 1.00 0.00 S ATOM 1159 HA CYS A 79 -1.141 -8.702 -13.389 1.00 0.00 H ATOM 1160 HB2 CYS A 79 0.825 -7.154 -13.806 1.00 0.00 H ATOM 1161 HB3 CYS A 79 0.230 -6.105 -12.499 1.00 0.00 H ATOM 1162 HG CYS A 79 -2.310 -5.568 -13.763 1.00 0.00 H ATOM 1163 H CYS A 79 -1.800 -6.435 -11.494 1.00 0.00 H ATOM 1164 N ALA A 80 0.068 -8.649 -10.454 1.00 0.00 N ATOM 1165 CA ALA A 80 0.970 -9.407 -9.549 1.00 0.00 C ATOM 1166 C ALA A 80 0.387 -10.801 -9.324 1.00 0.00 C ATOM 1167 O ALA A 80 1.044 -11.696 -8.830 1.00 0.00 O ATOM 1168 CB ALA A 80 0.993 -8.612 -8.241 1.00 0.00 C ATOM 1169 HA ALA A 80 1.975 -9.528 -9.954 1.00 0.00 H ATOM 1170 HB1 ALA A 80 1.372 -7.608 -8.434 1.00 0.00 H ATOM 1171 HB2 ALA A 80 -0.018 -8.549 -7.838 1.00 0.00 H ATOM 1172 HB3 ALA A 80 1.641 -9.114 -7.523 1.00 0.00 H ATOM 1173 H ALA A 80 -0.656 -8.014 -10.062 1.00 0.00 H ATOM 1174 N LEU A 81 -0.855 -10.978 -9.680 1.00 0.00 N ATOM 1175 CA LEU A 81 -1.514 -12.294 -9.497 1.00 0.00 C ATOM 1176 C LEU A 81 -1.372 -13.149 -10.754 1.00 0.00 C ATOM 1177 O LEU A 81 -0.979 -14.297 -10.697 1.00 0.00 O ATOM 1178 CB LEU A 81 -2.987 -11.967 -9.249 1.00 0.00 C ATOM 1179 CG LEU A 81 -3.117 -10.808 -8.257 1.00 0.00 C ATOM 1180 CD1 LEU A 81 -4.370 -10.002 -8.593 1.00 0.00 C ATOM 1181 CD2 LEU A 81 -3.232 -11.367 -6.840 1.00 0.00 C ATOM 1182 HA LEU A 81 -1.069 -12.859 -8.678 1.00 0.00 H ATOM 1183 HB2 LEU A 81 -3.457 -11.687 -10.192 1.00 0.00 H ATOM 1184 HB3 LEU A 81 -3.487 -12.846 -8.842 1.00 0.00 H ATOM 1185 HG LEU A 81 -2.240 -10.164 -8.322 1.00 0.00 H ATOM 1186 HD21 LEU A 81 -4.113 -12.006 -6.773 1.00 0.00 H ATOM 1187 HD22 LEU A 81 -2.341 -11.949 -6.607 1.00 0.00 H ATOM 1188 HD23 LEU A 81 -3.325 -10.543 -6.132 1.00 0.00 H ATOM 1189 HD11 LEU A 81 -4.288 -9.611 -9.607 1.00 0.00 H ATOM 1190 HD12 LEU A 81 -5.246 -10.647 -8.521 1.00 0.00 H ATOM 1191 HD13 LEU A 81 -4.468 -9.175 -7.890 1.00 0.00 H ATOM 1192 H LEU A 81 -1.389 -10.188 -10.096 1.00 0.00 H ATOM 1193 N GLU A 82 -1.724 -12.606 -11.888 1.00 0.00 N ATOM 1194 CA GLU A 82 -1.643 -13.409 -13.145 1.00 0.00 C ATOM 1195 C GLU A 82 -0.614 -12.835 -14.125 1.00 0.00 C ATOM 1196 O GLU A 82 -0.649 -13.135 -15.301 1.00 0.00 O ATOM 1197 CB GLU A 82 -3.042 -13.344 -13.781 1.00 0.00 C ATOM 1198 CG GLU A 82 -4.116 -13.109 -12.714 1.00 0.00 C ATOM 1199 CD GLU A 82 -5.465 -13.617 -13.227 1.00 0.00 C ATOM 1200 OE1 GLU A 82 -5.824 -13.264 -14.339 1.00 0.00 O ATOM 1201 OE2 GLU A 82 -6.115 -14.351 -12.501 1.00 0.00 O ATOM 1202 HA GLU A 82 -1.331 -14.429 -12.919 1.00 0.00 H ATOM 1203 HB2 GLU A 82 -3.069 -12.527 -14.502 1.00 0.00 H ATOM 1204 HB3 GLU A 82 -3.246 -14.285 -14.292 1.00 0.00 H ATOM 1205 HG2 GLU A 82 -3.848 -13.645 -11.804 1.00 0.00 H ATOM 1206 HG3 GLU A 82 -4.187 -12.043 -12.498 1.00 0.00 H ATOM 1207 H GLU A 82 -2.058 -11.622 -11.916 1.00 0.00 H ATOM 1208 N LYS A 83 0.298 -12.016 -13.679 1.00 0.00 N ATOM 1209 CA LYS A 83 1.293 -11.460 -14.645 1.00 0.00 C ATOM 1210 C LYS A 83 2.732 -11.684 -14.174 1.00 0.00 C ATOM 1211 O LYS A 83 3.428 -12.544 -14.677 1.00 0.00 O ATOM 1212 CB LYS A 83 0.978 -9.971 -14.744 1.00 0.00 C ATOM 1213 CG LYS A 83 0.923 -9.564 -16.219 1.00 0.00 C ATOM 1214 CD LYS A 83 1.610 -8.210 -16.404 1.00 0.00 C ATOM 1215 CE LYS A 83 0.881 -7.413 -17.489 1.00 0.00 C ATOM 1216 NZ LYS A 83 0.919 -8.283 -18.698 1.00 0.00 N ATOM 1217 HA LYS A 83 1.219 -11.958 -15.612 1.00 0.00 H ATOM 1218 HB2 LYS A 83 0.015 -9.770 -14.274 1.00 0.00 H ATOM 1219 HB3 LYS A 83 1.755 -9.399 -14.237 1.00 0.00 H ATOM 1220 HG2 LYS A 83 1.433 -10.315 -16.822 1.00 0.00 H ATOM 1221 HG3 LYS A 83 -0.117 -9.490 -16.537 1.00 0.00 H ATOM 1222 HD2 LYS A 83 1.582 -7.657 -15.465 1.00 0.00 H ATOM 1223 HD3 LYS A 83 2.647 -8.366 -16.702 1.00 0.00 H ATOM 1224 HE2 LYS A 83 1.392 -6.469 -17.680 1.00 0.00 H ATOM 1225 HE3 LYS A 83 -0.149 -7.214 -17.192 1.00 0.00 H ATOM 1226 HZ1 LYS A 83 1.908 -8.470 -18.958 1.00 0.00 H ATOM 1227 HZ2 LYS A 83 0.437 -9.182 -18.492 1.00 0.00 H ATOM 1228 HZ3 LYS A 83 0.438 -7.802 -19.485 1.00 0.00 H ATOM 1229 H LYS A 83 0.332 -11.756 -12.673 1.00 0.00 H ATOM 1230 N GLU A 84 3.197 -10.911 -13.232 1.00 0.00 N ATOM 1231 CA GLU A 84 4.604 -11.083 -12.764 1.00 0.00 C ATOM 1232 C GLU A 84 4.788 -10.486 -11.365 1.00 0.00 C ATOM 1233 O GLU A 84 3.852 -9.984 -10.777 1.00 0.00 O ATOM 1234 CB GLU A 84 5.440 -10.313 -13.787 1.00 0.00 C ATOM 1235 CG GLU A 84 6.292 -11.294 -14.597 1.00 0.00 C ATOM 1236 CD GLU A 84 7.305 -10.514 -15.437 1.00 0.00 C ATOM 1237 OE1 GLU A 84 8.278 -10.043 -14.870 1.00 0.00 O ATOM 1238 OE2 GLU A 84 7.092 -10.399 -16.633 1.00 0.00 O ATOM 1239 HA GLU A 84 4.891 -12.132 -12.692 1.00 0.00 H ATOM 1240 HB2 GLU A 84 4.778 -9.766 -14.459 1.00 0.00 H ATOM 1241 HB3 GLU A 84 6.091 -9.609 -13.268 1.00 0.00 H ATOM 1242 HG2 GLU A 84 6.821 -11.963 -13.918 1.00 0.00 H ATOM 1243 HG3 GLU A 84 5.648 -11.879 -15.254 1.00 0.00 H ATOM 1244 H GLU A 84 2.591 -10.179 -12.809 1.00 0.00 H ATOM 1245 N PRO A 85 6.003 -10.561 -10.880 1.00 0.00 N ATOM 1246 CA PRO A 85 6.318 -10.017 -9.536 1.00 0.00 C ATOM 1247 C PRO A 85 6.306 -8.485 -9.564 1.00 0.00 C ATOM 1248 O PRO A 85 6.215 -7.875 -10.611 1.00 0.00 O ATOM 1249 CB PRO A 85 7.720 -10.549 -9.253 1.00 0.00 C ATOM 1250 CG PRO A 85 8.317 -10.803 -10.599 1.00 0.00 C ATOM 1251 CD PRO A 85 7.182 -11.152 -11.527 1.00 0.00 C ATOM 1252 HA PRO A 85 5.597 -10.311 -8.773 1.00 0.00 H ATOM 1253 HD3 PRO A 85 7.341 -10.719 -12.515 1.00 0.00 H ATOM 1254 HD2 PRO A 85 7.074 -12.233 -11.619 1.00 0.00 H ATOM 1255 HG3 PRO A 85 9.024 -11.631 -10.545 1.00 0.00 H ATOM 1256 HG2 PRO A 85 8.831 -9.910 -10.955 1.00 0.00 H ATOM 1257 HB2 PRO A 85 8.307 -9.811 -8.706 1.00 0.00 H ATOM 1258 HB3 PRO A 85 7.670 -11.472 -8.675 1.00 0.00 H ATOM 1259 N VAL A 86 6.392 -7.860 -8.423 1.00 0.00 N ATOM 1260 CA VAL A 86 6.377 -6.368 -8.386 1.00 0.00 C ATOM 1261 C VAL A 86 7.695 -5.830 -7.818 1.00 0.00 C ATOM 1262 O VAL A 86 8.097 -6.197 -6.732 1.00 0.00 O ATOM 1263 CB VAL A 86 5.216 -6.015 -7.457 1.00 0.00 C ATOM 1264 CG1 VAL A 86 4.904 -4.523 -7.572 1.00 0.00 C ATOM 1265 CG2 VAL A 86 3.983 -6.826 -7.858 1.00 0.00 C ATOM 1266 HA VAL A 86 6.262 -5.933 -9.379 1.00 0.00 H ATOM 1267 HB VAL A 86 5.489 -6.249 -6.428 1.00 0.00 H ATOM 1268 HG11 VAL A 86 5.784 -3.946 -7.289 1.00 0.00 H ATOM 1269 HG12 VAL A 86 4.630 -4.289 -8.601 1.00 0.00 H ATOM 1270 HG13 VAL A 86 4.076 -4.274 -6.909 1.00 0.00 H ATOM 1271 HG21 VAL A 86 3.713 -6.589 -8.887 1.00 0.00 H ATOM 1272 HG22 VAL A 86 4.207 -7.890 -7.775 1.00 0.00 H ATOM 1273 HG23 VAL A 86 3.154 -6.575 -7.196 1.00 0.00 H ATOM 1274 H VAL A 86 6.471 -8.401 -7.538 1.00 0.00 H ATOM 1275 N PRO A 87 8.323 -4.968 -8.575 1.00 0.00 N ATOM 1276 CA PRO A 87 9.599 -4.364 -8.144 1.00 0.00 C ATOM 1277 C PRO A 87 9.325 -3.134 -7.274 1.00 0.00 C ATOM 1278 O PRO A 87 8.190 -2.805 -6.997 1.00 0.00 O ATOM 1279 CB PRO A 87 10.258 -3.961 -9.458 1.00 0.00 C ATOM 1280 CG PRO A 87 9.132 -3.774 -10.434 1.00 0.00 C ATOM 1281 CD PRO A 87 7.910 -4.482 -9.892 1.00 0.00 C ATOM 1282 HA PRO A 87 10.220 -5.033 -7.549 1.00 0.00 H ATOM 1283 HD3 PRO A 87 7.072 -3.791 -9.803 1.00 0.00 H ATOM 1284 HD2 PRO A 87 7.627 -5.313 -10.538 1.00 0.00 H ATOM 1285 HG3 PRO A 87 9.406 -4.199 -11.399 1.00 0.00 H ATOM 1286 HG2 PRO A 87 8.920 -2.711 -10.553 1.00 0.00 H ATOM 1287 HB2 PRO A 87 10.814 -3.032 -9.336 1.00 0.00 H ATOM 1288 HB3 PRO A 87 10.933 -4.745 -9.801 1.00 0.00 H ATOM 1289 N MET A 88 10.350 -2.450 -6.844 1.00 0.00 N ATOM 1290 CA MET A 88 10.129 -1.239 -5.998 1.00 0.00 C ATOM 1291 C MET A 88 10.521 0.017 -6.766 1.00 0.00 C ATOM 1292 O MET A 88 10.741 1.061 -6.185 1.00 0.00 O ATOM 1293 CB MET A 88 11.073 -1.373 -4.809 1.00 0.00 C ATOM 1294 CG MET A 88 11.004 -2.782 -4.222 1.00 0.00 C ATOM 1295 SD MET A 88 12.229 -2.942 -2.897 1.00 0.00 S ATOM 1296 CE MET A 88 13.686 -3.144 -3.949 1.00 0.00 C ATOM 1297 HA MET A 88 9.083 -1.163 -5.702 1.00 0.00 H ATOM 1298 HB2 MET A 88 12.093 -1.171 -5.137 1.00 0.00 H ATOM 1299 HB3 MET A 88 10.789 -0.651 -4.043 1.00 0.00 H ATOM 1300 HG2 MET A 88 11.215 -3.512 -5.003 1.00 0.00 H ATOM 1301 HG3 MET A 88 10.007 -2.960 -3.819 1.00 0.00 H ATOM 1302 HE1 MET A 88 13.562 -4.028 -4.574 1.00 0.00 H ATOM 1303 HE2 MET A 88 13.801 -2.264 -4.582 1.00 0.00 H ATOM 1304 HE3 MET A 88 14.571 -3.261 -3.323 1.00 0.00 H ATOM 1305 H MET A 88 11.316 -2.747 -7.089 1.00 0.00 H ATOM 1306 N SER A 89 10.653 -0.070 -8.053 1.00 0.00 N ATOM 1307 CA SER A 89 11.079 1.132 -8.811 1.00 0.00 C ATOM 1308 C SER A 89 9.937 1.731 -9.615 1.00 0.00 C ATOM 1309 O SER A 89 9.555 1.228 -10.650 1.00 0.00 O ATOM 1310 CB SER A 89 12.168 0.648 -9.751 1.00 0.00 C ATOM 1311 OG SER A 89 13.309 0.255 -8.997 1.00 0.00 O ATOM 1312 HA SER A 89 11.421 1.914 -8.133 1.00 0.00 H ATOM 1313 HB2 SER A 89 12.443 1.453 -10.433 1.00 0.00 H ATOM 1314 HB3 SER A 89 11.801 -0.203 -10.324 1.00 0.00 H ATOM 1315 HG SER A 89 14.017 -0.060 -9.613 1.00 0.00 H ATOM 1316 H SER A 89 10.464 -0.966 -8.545 1.00 0.00 H ATOM 1317 N LEU A 90 9.417 2.821 -9.152 1.00 0.00 N ATOM 1318 CA LEU A 90 8.315 3.489 -9.898 1.00 0.00 C ATOM 1319 C LEU A 90 8.765 3.751 -11.336 1.00 0.00 C ATOM 1320 O LEU A 90 9.578 4.620 -11.581 1.00 0.00 O ATOM 1321 CB LEU A 90 8.077 4.810 -9.166 1.00 0.00 C ATOM 1322 CG LEU A 90 6.613 4.900 -8.737 1.00 0.00 C ATOM 1323 CD1 LEU A 90 6.409 6.149 -7.876 1.00 0.00 C ATOM 1324 CD2 LEU A 90 5.720 4.983 -9.977 1.00 0.00 C ATOM 1325 HA LEU A 90 7.409 2.884 -9.939 1.00 0.00 H ATOM 1326 HB2 LEU A 90 8.717 4.858 -8.285 1.00 0.00 H ATOM 1327 HB3 LEU A 90 8.313 5.641 -9.831 1.00 0.00 H ATOM 1328 HG LEU A 90 6.350 4.014 -8.160 1.00 0.00 H ATOM 1329 HD21 LEU A 90 5.984 5.869 -10.555 1.00 0.00 H ATOM 1330 HD22 LEU A 90 5.865 4.092 -10.588 1.00 0.00 H ATOM 1331 HD23 LEU A 90 4.677 5.047 -9.668 1.00 0.00 H ATOM 1332 HD11 LEU A 90 7.044 6.087 -6.992 1.00 0.00 H ATOM 1333 HD12 LEU A 90 6.674 7.034 -8.454 1.00 0.00 H ATOM 1334 HD13 LEU A 90 5.364 6.212 -7.571 1.00 0.00 H ATOM 1335 H LEU A 90 9.767 3.229 -8.262 1.00 0.00 H ATOM 1336 N PRO A 91 8.225 2.984 -12.243 1.00 0.00 N ATOM 1337 CA PRO A 91 8.586 3.135 -13.674 1.00 0.00 C ATOM 1338 C PRO A 91 8.095 4.483 -14.216 1.00 0.00 C ATOM 1339 O PRO A 91 7.044 4.962 -13.840 1.00 0.00 O ATOM 1340 CB PRO A 91 7.884 1.955 -14.347 1.00 0.00 C ATOM 1341 CG PRO A 91 6.764 1.596 -13.426 1.00 0.00 C ATOM 1342 CD PRO A 91 7.235 1.920 -12.032 1.00 0.00 C ATOM 1343 HA PRO A 91 9.661 3.129 -13.854 1.00 0.00 H ATOM 1344 HD3 PRO A 91 6.410 2.273 -11.414 1.00 0.00 H ATOM 1345 HD2 PRO A 91 7.693 1.049 -11.563 1.00 0.00 H ATOM 1346 HG3 PRO A 91 6.534 0.534 -13.509 1.00 0.00 H ATOM 1347 HG2 PRO A 91 5.875 2.179 -13.668 1.00 0.00 H ATOM 1348 HB2 PRO A 91 7.499 2.245 -15.325 1.00 0.00 H ATOM 1349 HB3 PRO A 91 8.570 1.116 -14.462 1.00 0.00 H ATOM 1350 N PRO A 92 8.898 5.054 -15.073 1.00 0.00 N ATOM 1351 CA PRO A 92 8.580 6.377 -15.676 1.00 0.00 C ATOM 1352 C PRO A 92 7.421 6.266 -16.668 1.00 0.00 C ATOM 1353 O PRO A 92 6.897 7.255 -17.140 1.00 0.00 O ATOM 1354 CB PRO A 92 9.865 6.756 -16.400 1.00 0.00 C ATOM 1355 CG PRO A 92 10.546 5.455 -16.682 1.00 0.00 C ATOM 1356 CD PRO A 92 10.174 4.520 -15.563 1.00 0.00 C ATOM 1357 HA PRO A 92 8.270 7.113 -14.934 1.00 0.00 H ATOM 1358 HD3 PRO A 92 10.054 3.501 -15.931 1.00 0.00 H ATOM 1359 HD2 PRO A 92 10.929 4.534 -14.777 1.00 0.00 H ATOM 1360 HG3 PRO A 92 11.627 5.595 -16.711 1.00 0.00 H ATOM 1361 HG2 PRO A 92 10.207 5.052 -17.637 1.00 0.00 H ATOM 1362 HB2 PRO A 92 9.642 7.281 -17.328 1.00 0.00 H ATOM 1363 HB3 PRO A 92 10.490 7.387 -15.768 1.00 0.00 H ATOM 1364 N ALA A 93 7.010 5.073 -16.977 1.00 0.00 N ATOM 1365 CA ALA A 93 5.879 4.900 -17.926 1.00 0.00 C ATOM 1366 C ALA A 93 4.604 4.680 -17.128 1.00 0.00 C ATOM 1367 O ALA A 93 3.656 4.086 -17.594 1.00 0.00 O ATOM 1368 CB ALA A 93 6.221 3.654 -18.740 1.00 0.00 C ATOM 1369 HA ALA A 93 5.729 5.765 -18.572 1.00 0.00 H ATOM 1370 HB1 ALA A 93 7.163 3.812 -19.265 1.00 0.00 H ATOM 1371 HB2 ALA A 93 6.316 2.799 -18.071 1.00 0.00 H ATOM 1372 HB3 ALA A 93 5.428 3.465 -19.463 1.00 0.00 H ATOM 1373 H ALA A 93 7.472 4.239 -16.561 1.00 0.00 H ATOM 1374 N LEU A 94 4.594 5.136 -15.911 1.00 0.00 N ATOM 1375 CA LEU A 94 3.402 4.937 -15.051 1.00 0.00 C ATOM 1376 C LEU A 94 3.312 6.064 -14.015 1.00 0.00 C ATOM 1377 O LEU A 94 2.656 5.951 -12.999 1.00 0.00 O ATOM 1378 CB LEU A 94 3.673 3.583 -14.400 1.00 0.00 C ATOM 1379 CG LEU A 94 2.867 3.425 -13.118 1.00 0.00 C ATOM 1380 CD1 LEU A 94 2.494 1.957 -12.950 1.00 0.00 C ATOM 1381 CD2 LEU A 94 3.722 3.876 -11.932 1.00 0.00 C ATOM 1382 HA LEU A 94 2.454 4.955 -15.588 1.00 0.00 H ATOM 1383 HB2 LEU A 94 3.397 2.791 -15.096 1.00 0.00 H ATOM 1384 HB3 LEU A 94 4.735 3.505 -14.166 1.00 0.00 H ATOM 1385 HG LEU A 94 1.962 4.031 -13.165 1.00 0.00 H ATOM 1386 HD21 LEU A 94 4.621 3.262 -11.879 1.00 0.00 H ATOM 1387 HD22 LEU A 94 4.002 4.921 -12.064 1.00 0.00 H ATOM 1388 HD23 LEU A 94 3.150 3.765 -11.011 1.00 0.00 H ATOM 1389 HD11 LEU A 94 1.898 1.635 -13.804 1.00 0.00 H ATOM 1390 HD12 LEU A 94 3.402 1.357 -12.892 1.00 0.00 H ATOM 1391 HD13 LEU A 94 1.916 1.833 -12.034 1.00 0.00 H ATOM 1392 H LEU A 94 5.423 5.641 -15.539 1.00 0.00 H ATOM 1393 N VAL A 95 3.968 7.157 -14.270 1.00 0.00 N ATOM 1394 CA VAL A 95 3.924 8.290 -13.302 1.00 0.00 C ATOM 1395 C VAL A 95 3.297 9.525 -13.955 1.00 0.00 C ATOM 1396 O VAL A 95 3.663 9.901 -15.051 1.00 0.00 O ATOM 1397 CB VAL A 95 5.387 8.554 -12.940 1.00 0.00 C ATOM 1398 CG1 VAL A 95 6.130 9.089 -14.166 1.00 0.00 C ATOM 1399 CG2 VAL A 95 5.458 9.586 -11.811 1.00 0.00 C ATOM 1400 HA VAL A 95 3.321 8.061 -12.424 1.00 0.00 H ATOM 1401 HB VAL A 95 5.851 7.624 -12.612 1.00 0.00 H ATOM 1402 HG11 VAL A 95 6.082 8.353 -14.968 1.00 0.00 H ATOM 1403 HG12 VAL A 95 5.664 10.018 -14.495 1.00 0.00 H ATOM 1404 HG13 VAL A 95 7.172 9.276 -13.905 1.00 0.00 H ATOM 1405 HG21 VAL A 95 4.992 10.515 -12.140 1.00 0.00 H ATOM 1406 HG22 VAL A 95 4.931 9.203 -10.937 1.00 0.00 H ATOM 1407 HG23 VAL A 95 6.501 9.772 -11.555 1.00 0.00 H ATOM 1408 H VAL A 95 4.522 7.241 -15.146 1.00 0.00 H ATOM 1409 N PRO A 96 2.367 10.118 -13.253 1.00 0.00 N ATOM 1410 CA PRO A 96 1.678 11.329 -13.767 1.00 0.00 C ATOM 1411 C PRO A 96 2.639 12.520 -13.776 1.00 0.00 C ATOM 1412 O PRO A 96 3.509 12.622 -12.935 1.00 0.00 O ATOM 1413 CB PRO A 96 0.543 11.547 -12.768 1.00 0.00 C ATOM 1414 CG PRO A 96 1.008 10.887 -11.511 1.00 0.00 C ATOM 1415 CD PRO A 96 1.877 9.727 -11.924 1.00 0.00 C ATOM 1416 HA PRO A 96 1.319 11.220 -14.790 1.00 0.00 H ATOM 1417 HD3 PRO A 96 2.705 9.593 -11.228 1.00 0.00 H ATOM 1418 HD2 PRO A 96 1.297 8.806 -11.978 1.00 0.00 H ATOM 1419 HG3 PRO A 96 0.154 10.530 -10.936 1.00 0.00 H ATOM 1420 HG2 PRO A 96 1.582 11.590 -10.908 1.00 0.00 H ATOM 1421 HB2 PRO A 96 0.375 12.611 -12.604 1.00 0.00 H ATOM 1422 HB3 PRO A 96 -0.378 11.086 -13.126 1.00 0.00 H ATOM 1423 N PRO A 97 2.450 13.382 -14.738 1.00 0.00 N ATOM 1424 CA PRO A 97 3.316 14.581 -14.870 1.00 0.00 C ATOM 1425 C PRO A 97 3.007 15.591 -13.765 1.00 0.00 C ATOM 1426 O PRO A 97 3.626 16.633 -13.674 1.00 0.00 O ATOM 1427 CB PRO A 97 2.945 15.141 -16.240 1.00 0.00 C ATOM 1428 CG PRO A 97 1.557 14.649 -16.494 1.00 0.00 C ATOM 1429 CD PRO A 97 1.424 13.326 -15.786 1.00 0.00 C ATOM 1430 HA PRO A 97 4.378 14.353 -14.781 1.00 0.00 H ATOM 1431 HD3 PRO A 97 0.431 13.217 -15.351 1.00 0.00 H ATOM 1432 HD2 PRO A 97 1.613 12.499 -16.470 1.00 0.00 H ATOM 1433 HG3 PRO A 97 1.395 14.520 -17.564 1.00 0.00 H ATOM 1434 HG2 PRO A 97 0.830 15.359 -16.101 1.00 0.00 H ATOM 1435 HB2 PRO A 97 2.970 16.231 -16.229 1.00 0.00 H ATOM 1436 HB3 PRO A 97 3.629 14.771 -17.004 1.00 0.00 H ATOM 1437 N SER A 98 2.062 15.292 -12.919 1.00 0.00 N ATOM 1438 CA SER A 98 1.730 16.239 -11.819 1.00 0.00 C ATOM 1439 C SER A 98 2.741 16.084 -10.685 1.00 0.00 C ATOM 1440 O SER A 98 2.881 16.945 -9.841 1.00 0.00 O ATOM 1441 CB SER A 98 0.327 15.845 -11.358 1.00 0.00 C ATOM 1442 OG SER A 98 -0.364 15.219 -12.433 1.00 0.00 O ATOM 1443 HA SER A 98 1.764 17.281 -12.139 1.00 0.00 H ATOM 1444 HB2 SER A 98 -0.217 16.736 -11.045 1.00 0.00 H ATOM 1445 HB3 SER A 98 0.400 15.152 -10.520 1.00 0.00 H ATOM 1446 HG SER A 98 -1.273 14.963 -12.135 1.00 0.00 H ATOM 1447 H SER A 98 1.542 14.396 -13.012 1.00 0.00 H ATOM 1448 N LYS A 99 3.458 14.995 -10.671 1.00 0.00 N ATOM 1449 CA LYS A 99 4.473 14.788 -9.604 1.00 0.00 C ATOM 1450 C LYS A 99 5.816 15.369 -10.055 1.00 0.00 C ATOM 1451 O LYS A 99 6.800 15.314 -9.343 1.00 0.00 O ATOM 1452 CB LYS A 99 4.568 13.271 -9.440 1.00 0.00 C ATOM 1453 CG LYS A 99 5.152 12.938 -8.066 1.00 0.00 C ATOM 1454 CD LYS A 99 5.683 11.503 -8.074 1.00 0.00 C ATOM 1455 CE LYS A 99 7.209 11.524 -8.184 1.00 0.00 C ATOM 1456 NZ LYS A 99 7.683 11.936 -6.834 1.00 0.00 N ATOM 1457 HA LYS A 99 4.207 15.278 -8.667 1.00 0.00 H ATOM 1458 HB2 LYS A 99 3.573 12.834 -9.527 1.00 0.00 H ATOM 1459 HB3 LYS A 99 5.213 12.862 -10.217 1.00 0.00 H ATOM 1460 HG2 LYS A 99 5.966 13.626 -7.840 1.00 0.00 H ATOM 1461 HG3 LYS A 99 4.375 13.035 -7.307 1.00 0.00 H ATOM 1462 HD2 LYS A 99 5.392 11.002 -7.151 1.00 0.00 H ATOM 1463 HD3 LYS A 99 5.265 10.965 -8.925 1.00 0.00 H ATOM 1464 HE2 LYS A 99 7.530 12.241 -8.939 1.00 0.00 H ATOM 1465 HE3 LYS A 99 7.589 10.535 -8.439 1.00 0.00 H ATOM 1466 HZ1 LYS A 99 7.300 12.875 -6.605 1.00 0.00 H ATOM 1467 HZ2 LYS A 99 7.357 11.246 -6.128 1.00 0.00 H ATOM 1468 HZ3 LYS A 99 8.722 11.974 -6.829 1.00 0.00 H ATOM 1469 H LYS A 99 3.320 14.272 -11.405 1.00 0.00 H ATOM 1470 N ARG A 100 5.862 15.928 -11.237 1.00 0.00 N ATOM 1471 CA ARG A 100 7.138 16.514 -11.737 1.00 0.00 C ATOM 1472 C ARG A 100 6.861 17.518 -12.860 1.00 0.00 C ATOM 1473 O ARG A 100 5.979 17.326 -13.673 1.00 0.00 O ATOM 1474 CB ARG A 100 7.934 15.321 -12.263 1.00 0.00 C ATOM 1475 CG ARG A 100 7.158 14.640 -13.393 1.00 0.00 C ATOM 1476 CD ARG A 100 8.093 13.698 -14.155 1.00 0.00 C ATOM 1477 NE ARG A 100 8.160 12.466 -13.320 1.00 0.00 N ATOM 1478 CZ ARG A 100 9.195 11.674 -13.406 1.00 0.00 C ATOM 1479 NH1 ARG A 100 10.056 11.828 -14.374 1.00 0.00 N ATOM 1480 NH2 ARG A 100 9.369 10.728 -12.524 1.00 0.00 N ATOM 1481 HA ARG A 100 7.678 17.057 -10.961 1.00 0.00 H ATOM 1482 HB2 ARG A 100 8.897 15.666 -12.641 1.00 0.00 H ATOM 1483 HB3 ARG A 100 8.096 14.609 -11.454 1.00 0.00 H ATOM 1484 HG2 ARG A 100 6.329 14.070 -12.973 1.00 0.00 H ATOM 1485 HG3 ARG A 100 6.769 15.396 -14.075 1.00 0.00 H ATOM 1486 HD2 ARG A 100 9.082 14.143 -14.262 1.00 0.00 H ATOM 1487 HD3 ARG A 100 7.689 13.471 -15.142 1.00 0.00 H ATOM 1488 HE ARG A 100 7.382 12.237 -12.669 1.00 0.00 H ATOM 1489 HH12 ARG A 100 10.880 11.197 -14.442 1.00 0.00 H ATOM 1490 HH11 ARG A 100 9.918 12.582 -15.077 1.00 0.00 H ATOM 1491 HH22 ARG A 100 10.193 10.098 -12.593 1.00 0.00 H ATOM 1492 HH21 ARG A 100 8.683 10.604 -11.752 1.00 0.00 H ATOM 1493 H ARG A 100 5.007 15.964 -11.828 1.00 0.00 H TER 1494 ARG A 100 HETATM 1495 CA CA A 1 -0.763 9.830 -2.317 1.00 0.00 CA HETATM 1496 N SER A 2 4.746 7.083 8.203 1.00 0.24 N HETATM 1497 CA SER A 2 3.292 7.145 7.867 1.00 0.09 C HETATM 1498 C SER A 2 3.104 7.312 6.355 1.00 0.23 C HETATM 1499 O SER A 2 3.212 8.399 5.824 1.00 -0.39 O HETATM 1500 N SER A 2 2.819 6.245 5.658 1.00 -0.26 N HETATM 1501 CA SER A 2 2.623 6.356 4.183 1.00 0.16 C HETATM 1502 C SER A 2 2.323 4.983 3.575 1.00 0.21 C HETATM 1503 O SER A 2 1.633 4.874 2.581 1.00 -0.39 O HETATM 1504 N SER A 2 2.837 3.935 4.159 1.00 -0.26 N HETATM 1505 CA SER A 2 2.581 2.574 3.603 1.00 0.15 C HETATM 1506 C SER A 2 1.903 1.684 4.650 1.00 0.21 C HETATM 1507 O SER A 2 2.440 1.462 5.717 1.00 -0.39 O HETATM 1508 N SER A 2 0.735 1.205 4.307 1.00 -0.25 N HETATM 1509 CA SER A 2 -0.031 0.333 5.230 1.00 0.13 C HETATM 1510 C SER A 2 0.528 -1.097 5.232 1.00 0.20 C HETATM 1511 O SER A 2 -0.035 -1.988 5.836 1.00 -0.39 O HETATM 1512 N SER A 2 1.629 -1.327 4.564 1.00 -0.26 N HETATM 1513 CA SER A 2 2.210 -2.706 4.540 1.00 0.14 C HETATM 1514 C SER A 2 3.691 -2.667 4.934 1.00 0.21 C HETATM 1515 O SER A 2 4.445 -3.572 4.637 1.00 -0.39 O HETATM 1516 N SER A 2 4.112 -1.628 5.603 1.00 -0.27 N HETATM 1517 CA SER A 2 5.543 -1.535 6.015 1.00 0.09 C HETATM 1518 C SER A 2 5.644 -1.362 7.534 1.00 0.06 C HETATM 1519 O SER A 2 4.714 -0.824 8.111 1.00 -0.57 O HETATM 1520 OXT SER A 2 6.648 -1.772 8.091 1.00 -0.57 O HETATM 1521 CB SER A 2 6.085 -0.300 5.293 1.00 -0.02 C HETATM 1522 CG SER A 2 7.296 -0.696 4.446 1.00 -0.04 C HETATM 1523 CD1 SER A 2 6.854 -1.650 3.336 1.00 -0.06 C HETATM 1524 H42 SER A 2 7.726 -1.934 2.728 1.00 0.02 H HETATM 1525 H43 SER A 2 6.109 -1.151 2.699 1.00 0.02 H HETATM 1526 H44 SER A 2 6.409 -2.551 3.783 1.00 0.02 H HETATM 1527 CD2 SER A 2 7.917 0.559 3.825 1.00 -0.06 C HETATM 1528 H45 SER A 2 8.235 1.245 4.624 1.00 0.02 H HETATM 1529 H46 SER A 2 7.173 1.059 3.187 1.00 0.02 H HETATM 1530 H47 SER A 2 8.789 0.275 3.218 1.00 0.02 H HETATM 1531 H41 SER A 2 8.040 -1.196 5.083 1.00 0.03 H HETATM 1532 H39 SER A 2 6.387 0.455 6.034 1.00 0.03 H HETATM 1533 H40 SER A 2 5.303 0.117 4.642 1.00 0.03 H HETATM 1534 H38 SER A 2 6.095 -2.436 5.709 1.00 0.07 H HETATM 1535 H37 SER A 2 3.475 -0.894 5.839 1.00 0.19 H HETATM 1536 CB SER A 2 2.049 -3.186 3.093 1.00 0.02 C HETATM 1537 CG SER A 2 0.584 -3.345 2.783 1.00 -0.04 C HETATM 1538 CD1 SER A 2 -0.166 -4.326 3.440 1.00 -0.06 C HETATM 1539 CE1 SER A 2 -1.526 -4.474 3.151 1.00 -0.07 C HETATM 1540 CZ SER A 2 -2.133 -3.641 2.205 1.00 -0.07 C HETATM 1541 CE2 SER A 2 -1.382 -2.659 1.549 1.00 -0.07 C HETATM 1542 CD2 SER A 2 -0.023 -2.511 1.839 1.00 -0.06 C HETATM 1543 H33 SER A 2 0.560 -1.750 1.333 1.00 0.06 H HETATM 1544 H35 SER A 2 -1.854 -2.014 0.817 1.00 0.06 H HETATM 1545 H36 SER A 2 -3.187 -3.756 1.980 1.00 0.06 H HETATM 1546 H34 SER A 2 -2.109 -5.233 3.659 1.00 0.06 H HETATM 1547 H32 SER A 2 0.306 -4.971 4.172 1.00 0.06 H HETATM 1548 H30 SER A 2 2.558 -4.153 2.967 1.00 0.05 H HETATM 1549 H31 SER A 2 2.491 -2.447 2.409 1.00 0.05 H HETATM 1550 H29 SER A 2 1.664 -3.368 5.229 1.00 0.08 H HETATM 1551 H28 SER A 2 2.081 -0.584 4.071 1.00 0.19 H HETATM 1552 CB SER A 2 -1.442 0.360 4.653 1.00 -0.01 C HETATM 1553 CG SER A 2 -1.271 0.675 3.199 1.00 -0.03 C HETATM 1554 CD SER A 2 0.024 1.432 3.044 1.00 0.04 C HETATM 1555 H26 SER A 2 0.604 1.040 2.195 1.00 0.05 H HETATM 1556 H27 SER A 2 -0.168 2.505 2.893 1.00 0.05 H HETATM 1557 H24 SER A 2 -2.111 1.293 2.848 1.00 0.03 H HETATM 1558 H25 SER A 2 -1.232 -0.257 2.616 1.00 0.03 H HETATM 1559 H22 SER A 2 -2.045 1.136 5.147 1.00 0.03 H HETATM 1560 H23 SER A 2 -1.929 -0.618 4.780 1.00 0.03 H HETATM 1561 H21 SER A 2 -0.016 0.735 6.254 1.00 0.08 H HETATM 1562 CB SER A 2 3.963 2.029 3.250 1.00 0.08 C HETATM 1563 CG SER A 2 3.813 0.694 2.520 1.00 0.18 C HETATM 1564 OD1 SER A 2 2.861 -0.028 2.739 1.00 -0.40 O HETATM 1565 ND2 SER A 2 4.719 0.335 1.653 1.00 -0.30 N HETATM 1566 H19 SER A 2 4.631 -0.536 1.170 1.00 0.18 H HETATM 1567 H20 SER A 2 5.501 0.931 1.472 1.00 0.18 H HETATM 1568 H17 SER A 2 4.545 1.880 4.172 1.00 0.06 H HETATM 1569 H18 SER A 2 4.485 2.746 2.599 1.00 0.06 H HETATM 1570 H16 SER A 2 1.947 2.634 2.706 1.00 0.08 H HETATM 1571 H15 SER A 2 3.401 4.044 4.977 1.00 0.19 H HETATM 1572 CB SER A 2 3.946 6.904 3.642 1.00 0.09 C HETATM 1573 OG1 SER A 2 3.945 6.819 2.224 1.00 -0.39 O HETATM 1574 H11 SER A 2 3.846 5.911 1.962 1.00 0.21 H HETATM 1575 CG2 SER A 2 5.111 6.085 4.203 1.00 -0.03 C HETATM 1576 H12 SER A 2 6.060 6.482 3.812 1.00 0.03 H HETATM 1577 H13 SER A 2 5.000 5.034 3.899 1.00 0.03 H HETATM 1578 H14 SER A 2 5.111 6.151 5.301 1.00 0.03 H HETATM 1579 H10 SER A 2 4.059 7.955 3.946 1.00 0.06 H HETATM 1580 H9 SER A 2 1.798 7.046 3.955 1.00 0.08 H HETATM 1581 H8 SER A 2 2.732 5.358 6.111 1.00 0.19 H HETATM 1582 CB SER A 2 2.763 8.375 8.606 1.00 0.10 C HETATM 1583 OG SER A 2 1.344 8.397 8.523 1.00 -0.39 O HETATM 1584 H7 SER A 2 1.013 9.160 8.981 1.00 0.21 H HETATM 1585 H5 SER A 2 3.172 9.286 8.144 1.00 0.06 H HETATM 1586 H6 SER A 2 3.069 8.330 9.662 1.00 0.06 H HETATM 1587 H4 SER A 2 2.775 6.235 8.207 1.00 0.11 H HETATM 1588 H1 SER A 2 4.856 6.973 9.199 1.00 0.20 H HETATM 1589 H2 SER A 2 5.196 7.935 7.907 1.00 0.20 H HETATM 1590 H3 SER A 2 5.167 6.299 7.730 1.00 0.20 H CONECT 892 891 1495 CONECT 997 995 1495 CONECT 1495 892 997 CONECT 1496 1497 1588 1589 1590 CONECT 1497 1496 1498 1582 1587 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 1501 1581 CONECT 1501 1500 1502 1572 1580 CONECT 1502 1501 1503 1504 CONECT 1503 1502 CONECT 1504 1502 1505 1571 CONECT 1505 1504 1506 1562 1570 CONECT 1506 1505 1507 1508 CONECT 1507 1506 CONECT 1508 1506 1509 1554 CONECT 1509 1508 1510 1552 1561 CONECT 1510 1509 1511 1512 CONECT 1511 1510 CONECT 1512 1510 1513 1551 CONECT 1513 1512 1514 1536 1550 CONECT 1514 1513 1515 1516 CONECT 1515 1514 CONECT 1516 1514 1517 1535 CONECT 1517 1516 1518 1521 1534 CONECT 1518 1517 1519 1520 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1517 1522 1532 1533 CONECT 1522 1521 1523 1527 1531 CONECT 1523 1522 1524 1525 1526 CONECT 1524 1523 CONECT 1525 1523 CONECT 1526 1523 CONECT 1527 1522 1528 1529 1530 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1527 CONECT 1531 1522 CONECT 1532 1521 CONECT 1533 1521 CONECT 1534 1517 CONECT 1535 1516 CONECT 1536 1513 1537 1548 1549 CONECT 1537 1536 1538 1542 CONECT 1538 1537 1539 1547 CONECT 1539 1538 1540 1546 CONECT 1540 1539 1541 1545 CONECT 1541 1540 1542 1544 CONECT 1542 1537 1541 1543 CONECT 1543 1542 CONECT 1544 1541 CONECT 1545 1540 CONECT 1546 1539 CONECT 1547 1538 CONECT 1548 1536 CONECT 1549 1536 CONECT 1550 1513 CONECT 1551 1512 CONECT 1552 1509 1553 1559 1560 CONECT 1553 1552 1554 1557 1558 CONECT 1554 1508 1553 1555 1556 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1553 CONECT 1558 1553 CONECT 1559 1552 CONECT 1560 1552 CONECT 1561 1509 CONECT 1562 1505 1563 1568 1569 CONECT 1563 1562 1564 1565 CONECT 1564 1563 CONECT 1565 1563 1566 1567 CONECT 1566 1565 CONECT 1567 1565 CONECT 1568 1562 CONECT 1569 1562 CONECT 1570 1505 CONECT 1571 1504 CONECT 1572 1501 1573 1575 1579 CONECT 1573 1572 1574 CONECT 1574 1573 CONECT 1575 1572 1576 1577 1578 CONECT 1576 1575 CONECT 1577 1575 CONECT 1578 1575 CONECT 1579 1572 CONECT 1580 1501 CONECT 1581 1500 CONECT 1582 1497 1583 1585 1586 CONECT 1583 1582 1584 CONECT 1584 1583 CONECT 1585 1582 CONECT 1586 1582 CONECT 1587 1497 CONECT 1588 1496 CONECT 1589 1496 CONECT 1590 1496 MASTER 0 0 0 0 0 0 0 0 1589 1 98 8 END
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PDBbind
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4pli
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4pra
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4prb
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4prd
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4pre
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4prh
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4pri
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4prn
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4prp
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4tk2
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4tk3
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4tk4
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4tmp
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4u68
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4u91
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4w5a
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4x6s
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4yje
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11-mer
4yk6
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11-mer
4yv9
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4yy6
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4yyi
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4yym
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4yyn
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5a0e
RCSB PDB
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5agu
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PDBbind
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5agv
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5ah2
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5awt
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5awu
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PDBbind
11-mer
5b6c
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PDBbind
11-mer
5c6v
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PDBbind
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5c7e
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5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
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5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
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11-mer
5id0
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PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
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RCSB PDB
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Entry Information
PDB ID
1ff1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
epidermal growth factor receptor substrate 15(EH2 of Eps15)
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=12uM
Release Year
2000
Protein/NA Sequence
Check fasta file
Primary Reference
(2000) Nat.Struct.Biol. Vol. 7: pp. 1018-1022
Ligand Properties
Formula
C
3
1
H
4
8
N
7
O
1
0
Molecular Weight
678.754
Exact Mass
678.346
No. of atoms
96
No. of bonds
97
Polar Surface Area
285.2
LOGP Value
-3.35 (
Computed with XLOGP3
)
-1.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1)CC(=O)N)[C@H](O)C)[NH3+]
InChI String
InChI=1S/C31H47N7O10/c1-16(2)12-22(31(47)48)36-27(43)20(13-18-8-5-4-6-9-18)34-28(44)23-10-7-11-38(23)30(46)21(14-24(33)41)35-29(45)25(17(3)40)37-26(42)19(32)15-39/h4-6,8-9,16-17,19-23,25,39-40H,7,10-15,32H2,1-3H3,(H2,33,41)(H,34,44)(H,35,45)(H,36,43)(H,37,42)(H,47,48)/p+1/t17-,19+,20+,21+,22+,23+,25+/m1/s1
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Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P42566
Entrez Gene ID
NCBI Entrez Gene ID:
2060
ASD
Information of known allosteric effects of PDB entries
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