Browse entries in the PDBbind-CN Database
HEADER 2PUY_COMPLEX COMPND 2PUY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 59 MET ILE HIS GLU ASP PHE CYS SER VAL CYS ARG LYS SER SEQRES 2 A 59 GLY GLN LEU LEU MET CYS ASP THR CYS SER ARG VAL TYR SEQRES 3 A 59 HIS LEU ASP CYS LEU ASP PRO PRO LEU LYS THR ILE PRO SEQRES 4 A 59 LYS GLY MET TRP ILE CYS PRO ARG CYS GLN ASP GLN MET SEQRES 5 A 59 LEU LYS LYS GLU GLU ALA ILE SEQRES 1 B 60 HIS MET ILE HIS GLU ASP PHE CYS SER VAL CYS ARG LYS SEQRES 2 B 60 SER GLY GLN LEU LEU MET CYS ASP THR CYS SER ARG VAL SEQRES 3 B 60 TYR HIS LEU ASP CYS LEU ASP PRO PRO LEU LYS THR ILE SEQRES 4 B 60 PRO LYS GLY MET TRP ILE CYS PRO ARG CYS GLN ASP GLN SEQRES 5 B 60 MET LEU LYS LYS GLU GLU ALA ILE HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 212 171 ATOM 1 N MET A 485 73.822 5.260 -3.955 1.00 26.04 N ATOM 2 CA MET A 485 73.450 4.052 -3.172 1.00 26.19 C ATOM 3 C MET A 485 72.316 3.322 -3.881 1.00 25.13 C ATOM 4 O MET A 485 71.331 3.935 -4.305 1.00 26.67 O ATOM 5 CB MET A 485 72.990 4.455 -1.762 1.00 28.13 C ATOM 6 CG MET A 485 72.666 3.290 -0.818 1.00 29.80 C ATOM 7 SD MET A 485 74.104 2.538 -0.007 1.00 31.82 S ATOM 8 CE MET A 485 74.242 0.999 -0.909 1.00 30.02 C ATOM 9 HA MET A 485 74.319 3.399 -3.090 1.00 0.00 H ATOM 10 HB2 MET A 485 73.783 5.048 -1.306 1.00 0.00 H ATOM 11 HB3 MET A 485 72.093 5.066 -1.862 1.00 0.00 H ATOM 12 HG2 MET A 485 72.161 2.516 -1.396 1.00 0.00 H ATOM 13 HG3 MET A 485 71.995 3.659 -0.043 1.00 0.00 H ATOM 14 HE1 MET A 485 73.324 0.424 -0.787 1.00 0.00 H ATOM 15 HE2 MET A 485 74.401 1.212 -1.966 1.00 0.00 H ATOM 16 HE3 MET A 485 75.085 0.427 -0.522 1.00 0.00 H ATOM 17 HN3 MET A 485 72.997 5.889 -4.033 1.00 0.00 H ATOM 18 HN2 MET A 485 74.132 4.974 -4.906 1.00 0.00 H ATOM 19 HN1 MET A 485 74.596 5.760 -3.472 1.00 0.00 H ATOM 20 N ILE A 486 72.471 2.014 -4.037 1.00 23.66 N ATOM 21 CA ILE A 486 71.432 1.205 -4.661 1.00 22.11 C ATOM 22 C ILE A 486 70.800 0.398 -3.539 1.00 20.64 C ATOM 23 O ILE A 486 71.446 -0.476 -2.963 1.00 21.57 O ATOM 24 CB ILE A 486 72.010 0.219 -5.676 1.00 22.26 C ATOM 25 CG1 ILE A 486 72.878 0.954 -6.699 1.00 23.05 C ATOM 26 CG2 ILE A 486 70.880 -0.516 -6.356 1.00 22.71 C ATOM 27 CD1 ILE A 486 73.707 0.026 -7.563 1.00 23.57 C ATOM 28 HA ILE A 486 70.728 1.852 -5.185 1.00 0.00 H ATOM 29 HB ILE A 486 72.643 -0.504 -5.161 1.00 0.00 H ATOM 30 HG12 ILE A 486 72.227 1.540 -7.347 1.00 0.00 H ATOM 31 HG13 ILE A 486 73.552 1.622 -6.164 1.00 0.00 H ATOM 32 HD11 ILE A 486 74.373 -0.560 -6.929 1.00 0.00 H ATOM 33 HD12 ILE A 486 73.046 -0.643 -8.114 1.00 0.00 H ATOM 34 HD13 ILE A 486 74.297 0.615 -8.265 1.00 0.00 H ATOM 35 HG21 ILE A 486 70.299 -1.058 -5.609 1.00 0.00 H ATOM 36 HG22 ILE A 486 70.238 0.201 -6.867 1.00 0.00 H ATOM 37 HG23 ILE A 486 71.290 -1.220 -7.080 1.00 0.00 H ATOM 38 H ILE A 486 73.347 1.559 -3.709 1.00 0.00 H ATOM 39 N HIS A 487 69.545 0.683 -3.217 1.00 18.17 N ATOM 40 CA HIS A 487 68.895 -0.052 -2.142 1.00 15.56 C ATOM 41 C HIS A 487 68.214 -1.324 -2.614 1.00 14.85 C ATOM 42 O HIS A 487 67.784 -1.438 -3.765 1.00 15.25 O ATOM 43 CB HIS A 487 67.866 0.828 -1.420 1.00 16.04 C ATOM 44 CG HIS A 487 68.470 1.800 -0.457 1.00 14.13 C ATOM 45 ND1 HIS A 487 68.904 3.053 -0.835 1.00 16.18 N ATOM 46 CD2 HIS A 487 68.738 1.692 0.866 1.00 15.82 C ATOM 47 CE1 HIS A 487 69.417 3.673 0.213 1.00 14.00 C ATOM 48 NE2 HIS A 487 69.330 2.868 1.257 1.00 15.06 N ATOM 49 HA HIS A 487 69.692 -0.337 -1.456 1.00 0.00 H ATOM 50 HB2 HIS A 487 67.307 1.389 -2.169 1.00 0.00 H ATOM 51 HB3 HIS A 487 67.184 0.179 -0.871 1.00 0.00 H ATOM 52 HD2 HIS A 487 68.524 0.833 1.502 1.00 0.00 H ATOM 53 HE1 HIS A 487 69.840 4.678 0.216 1.00 0.00 H ATOM 54 H HIS A 487 69.029 1.427 -3.729 1.00 0.00 H ATOM 55 N GLU A 488 68.136 -2.278 -1.699 1.00 12.97 N ATOM 56 CA GLU A 488 67.494 -3.560 -1.931 1.00 12.49 C ATOM 57 C GLU A 488 65.992 -3.379 -2.126 1.00 12.01 C ATOM 58 O GLU A 488 65.423 -2.330 -1.815 1.00 10.90 O ATOM 59 CB GLU A 488 67.786 -4.489 -0.751 1.00 13.65 C ATOM 60 CG GLU A 488 69.259 -4.840 -0.693 1.00 14.93 C ATOM 61 CD GLU A 488 69.688 -5.450 0.618 1.00 16.72 C ATOM 62 OE1 GLU A 488 68.935 -6.261 1.195 1.00 17.29 O ATOM 63 OE2 GLU A 488 70.807 -5.126 1.066 1.00 20.08 O ATOM 64 HA GLU A 488 67.893 -4.007 -2.842 1.00 0.00 H ATOM 65 HB2 GLU A 488 67.500 -3.991 0.175 1.00 0.00 H ATOM 66 HB3 GLU A 488 67.205 -5.404 -0.864 1.00 0.00 H ATOM 67 HG2 GLU A 488 69.475 -5.551 -1.490 1.00 0.00 H ATOM 68 HG3 GLU A 488 69.836 -3.929 -0.854 1.00 0.00 H ATOM 69 H GLU A 488 68.557 -2.100 -0.765 1.00 0.00 H ATOM 70 N ASP A 489 65.351 -4.419 -2.637 1.00 11.43 N ATOM 71 CA ASP A 489 63.927 -4.367 -2.931 1.00 10.43 C ATOM 72 C ASP A 489 63.062 -5.192 -1.989 1.00 8.77 C ATOM 73 O ASP A 489 61.848 -5.241 -2.159 1.00 10.46 O ATOM 74 CB ASP A 489 63.661 -4.873 -4.351 1.00 12.21 C ATOM 75 CG ASP A 489 64.372 -4.068 -5.417 1.00 14.73 C ATOM 76 OD1 ASP A 489 64.416 -2.829 -5.319 1.00 15.65 O ATOM 77 OD2 ASP A 489 64.880 -4.683 -6.390 1.00 18.15 O ATOM 78 HA ASP A 489 63.654 -3.319 -2.808 1.00 0.00 H ATOM 79 HB2 ASP A 489 63.996 -5.908 -4.418 1.00 0.00 H ATOM 80 HB3 ASP A 489 62.588 -4.826 -4.540 1.00 0.00 H ATOM 81 H ASP A 489 65.878 -5.294 -2.833 1.00 0.00 H ATOM 82 N PHE A 490 63.684 -5.851 -1.013 1.00 8.66 N ATOM 83 CA PHE A 490 62.963 -6.708 -0.088 1.00 8.81 C ATOM 84 C PHE A 490 63.367 -6.422 1.343 1.00 8.48 C ATOM 85 O PHE A 490 64.536 -6.179 1.629 1.00 9.30 O ATOM 86 CB PHE A 490 63.230 -8.182 -0.408 1.00 8.96 C ATOM 87 CG PHE A 490 62.867 -8.579 -1.823 1.00 9.44 C ATOM 88 CD1 PHE A 490 63.792 -8.464 -2.857 1.00 10.01 C ATOM 89 CD2 PHE A 490 61.583 -9.037 -2.112 1.00 8.95 C ATOM 90 CE1 PHE A 490 63.444 -8.797 -4.160 1.00 10.60 C ATOM 91 CE2 PHE A 490 61.230 -9.374 -3.418 1.00 10.82 C ATOM 92 CZ PHE A 490 62.163 -9.252 -4.441 1.00 10.73 C ATOM 93 HA PHE A 490 61.899 -6.500 -0.201 1.00 0.00 H ATOM 94 HB2 PHE A 490 64.291 -8.379 -0.258 1.00 0.00 H ATOM 95 HB3 PHE A 490 62.647 -8.794 0.280 1.00 0.00 H ATOM 96 HD2 PHE A 490 60.850 -9.132 -1.311 1.00 0.00 H ATOM 97 HE2 PHE A 490 60.224 -9.733 -3.636 1.00 0.00 H ATOM 98 HZ PHE A 490 61.889 -9.513 -5.463 1.00 0.00 H ATOM 99 HE1 PHE A 490 64.177 -8.701 -4.961 1.00 0.00 H ATOM 100 HD1 PHE A 490 64.800 -8.109 -2.642 1.00 0.00 H ATOM 101 H PHE A 490 64.714 -5.749 -0.910 1.00 0.00 H ATOM 102 N CYS A 491 62.393 -6.461 2.238 1.00 7.90 N ATOM 103 CA CYS A 491 62.626 -6.186 3.653 1.00 8.44 C ATOM 104 C CYS A 491 63.695 -7.095 4.277 1.00 9.30 C ATOM 105 O CYS A 491 63.695 -8.303 4.073 1.00 9.57 O ATOM 106 CB CYS A 491 61.297 -6.324 4.395 1.00 7.30 C ATOM 107 SG CYS A 491 61.396 -6.144 6.186 1.00 8.22 S ATOM 108 HA CYS A 491 63.014 -5.171 3.743 1.00 0.00 H ATOM 109 HB2 CYS A 491 60.890 -7.311 4.177 1.00 0.00 H ATOM 110 HB3 CYS A 491 60.618 -5.560 4.016 1.00 0.00 H ATOM 111 HG CYS A 491 60.137 -6.289 6.732 1.00 0.00 H ATOM 112 H CYS A 491 61.430 -6.695 1.923 1.00 0.00 H ATOM 113 N SER A 492 64.613 -6.508 5.042 1.00 8.78 N ATOM 114 CA SER A 492 65.671 -7.298 5.676 1.00 11.03 C ATOM 115 C SER A 492 65.171 -8.219 6.780 1.00 11.29 C ATOM 116 O SER A 492 65.870 -9.150 7.178 1.00 13.49 O ATOM 117 CB SER A 492 66.747 -6.374 6.246 1.00 11.50 C ATOM 118 OG SER A 492 67.688 -6.029 5.249 1.00 14.01 O ATOM 119 HA SER A 492 66.080 -7.934 4.891 1.00 0.00 H ATOM 120 HB2 SER A 492 67.260 -6.882 7.062 1.00 0.00 H ATOM 121 HB3 SER A 492 66.276 -5.466 6.624 1.00 0.00 H ATOM 122 HG SER A 492 67.226 -5.564 4.507 1.00 0.00 H ATOM 123 H SER A 492 64.579 -5.479 5.191 1.00 0.00 H ATOM 124 N VAL A 493 63.969 -7.964 7.274 1.00 10.81 N ATOM 125 CA VAL A 493 63.402 -8.784 8.332 1.00 11.16 C ATOM 126 C VAL A 493 62.573 -9.946 7.781 1.00 11.15 C ATOM 127 O VAL A 493 62.863 -11.104 8.073 1.00 11.45 O ATOM 128 CB VAL A 493 62.527 -7.926 9.284 1.00 10.40 C ATOM 129 CG1 VAL A 493 61.859 -8.796 10.347 1.00 11.10 C ATOM 130 CG2 VAL A 493 63.399 -6.886 9.965 1.00 10.99 C ATOM 131 HA VAL A 493 64.241 -9.203 8.888 1.00 0.00 H ATOM 132 HB VAL A 493 61.749 -7.440 8.695 1.00 0.00 H ATOM 133 HG11 VAL A 493 61.225 -9.538 9.862 1.00 0.00 H ATOM 134 HG12 VAL A 493 62.625 -9.301 10.936 1.00 0.00 H ATOM 135 HG13 VAL A 493 61.252 -8.168 11.000 1.00 0.00 H ATOM 136 HG21 VAL A 493 64.180 -7.387 10.538 1.00 0.00 H ATOM 137 HG22 VAL A 493 63.855 -6.245 9.210 1.00 0.00 H ATOM 138 HG23 VAL A 493 62.786 -6.282 10.634 1.00 0.00 H ATOM 139 H VAL A 493 63.421 -7.163 6.899 1.00 0.00 H ATOM 140 N CYS A 494 61.563 -9.643 6.965 1.00 10.70 N ATOM 141 CA CYS A 494 60.670 -10.679 6.429 1.00 10.76 C ATOM 142 C CYS A 494 60.909 -11.096 4.974 1.00 11.07 C ATOM 143 O CYS A 494 60.270 -12.024 4.481 1.00 10.98 O ATOM 144 CB CYS A 494 59.215 -10.233 6.593 1.00 10.20 C ATOM 145 SG CYS A 494 58.706 -8.884 5.473 1.00 9.32 S ATOM 146 HA CYS A 494 60.899 -11.569 7.015 1.00 0.00 H ATOM 147 HB2 CYS A 494 59.076 -9.894 7.620 1.00 0.00 H ATOM 148 HB3 CYS A 494 58.572 -11.093 6.405 1.00 0.00 H ATOM 149 HG CYS A 494 59.495 -7.775 5.703 1.00 0.00 H ATOM 150 H CYS A 494 61.404 -8.650 6.702 1.00 0.00 H ATOM 151 N ARG A 495 61.825 -10.406 4.305 1.00 9.92 N ATOM 152 CA ARG A 495 62.189 -10.658 2.916 1.00 10.12 C ATOM 153 C ARG A 495 61.083 -10.502 1.881 1.00 9.50 C ATOM 154 O ARG A 495 61.185 -11.037 0.775 1.00 9.37 O ATOM 155 CB ARG A 495 62.896 -12.019 2.771 1.00 11.90 C ATOM 156 CG ARG A 495 64.412 -11.906 3.017 1.00 17.17 C ATOM 157 CD ARG A 495 65.175 -13.240 3.003 1.00 18.86 C ATOM 158 NE ARG A 495 65.508 -13.699 4.351 1.00 21.24 N ATOM 159 CZ ARG A 495 66.340 -14.706 4.617 1.00 20.37 C ATOM 160 NH1 ARG A 495 66.925 -15.360 3.626 1.00 20.60 N ATOM 161 NH2 ARG A 495 66.594 -15.053 5.872 1.00 22.45 N ATOM 162 HA ARG A 495 62.878 -9.848 2.678 1.00 0.00 H ATOM 163 HB2 ARG A 495 62.472 -12.716 3.494 1.00 0.00 H ATOM 164 HB3 ARG A 495 62.729 -12.398 1.763 1.00 0.00 H ATOM 165 HG2 ARG A 495 64.834 -11.267 2.241 1.00 0.00 H ATOM 166 HG3 ARG A 495 64.563 -11.440 3.991 1.00 0.00 H ATOM 167 HD2 ARG A 495 66.098 -13.111 2.438 1.00 0.00 H ATOM 168 HD3 ARG A 495 64.555 -13.994 2.518 1.00 0.00 H ATOM 169 HE ARG A 495 65.067 -13.208 5.155 1.00 0.00 H ATOM 170 HH12 ARG A 495 67.574 -16.146 3.833 1.00 0.00 H ATOM 171 HH11 ARG A 495 66.736 -15.088 2.640 1.00 0.00 H ATOM 172 HH22 ARG A 495 67.244 -15.840 6.073 1.00 0.00 H ATOM 173 HH21 ARG A 495 66.143 -14.538 6.655 1.00 0.00 H ATOM 174 H ARG A 495 62.314 -9.636 4.804 1.00 0.00 H ATOM 175 N LYS A 496 60.047 -9.738 2.214 1.00 8.10 N ATOM 176 CA LYS A 496 58.974 -9.489 1.255 1.00 8.72 C ATOM 177 C LYS A 496 59.062 -8.075 0.672 1.00 8.93 C ATOM 178 O LYS A 496 59.727 -7.186 1.220 1.00 8.98 O ATOM 179 CB LYS A 496 57.610 -9.716 1.911 1.00 10.24 C ATOM 180 CG LYS A 496 57.396 -11.168 2.282 1.00 12.17 C ATOM 181 CD LYS A 496 56.050 -11.454 2.881 1.00 13.45 C ATOM 182 CE LYS A 496 55.962 -12.920 3.298 1.00 14.63 C ATOM 183 NZ LYS A 496 54.669 -13.214 3.965 1.00 16.27 N ATOM 184 HA LYS A 496 59.090 -10.194 0.432 1.00 0.00 H ATOM 185 HB2 LYS A 496 57.547 -9.108 2.814 1.00 0.00 H ATOM 186 HB3 LYS A 496 56.829 -9.411 1.215 1.00 0.00 H ATOM 187 HG2 LYS A 496 57.506 -11.772 1.381 1.00 0.00 H ATOM 188 HG3 LYS A 496 58.161 -11.454 3.005 1.00 0.00 H ATOM 189 HD2 LYS A 496 55.902 -10.821 3.756 1.00 0.00 H ATOM 190 HD3 LYS A 496 55.275 -11.241 2.145 1.00 0.00 H ATOM 191 HE2 LYS A 496 56.776 -13.143 3.987 1.00 0.00 H ATOM 192 HE3 LYS A 496 56.056 -13.548 2.412 1.00 0.00 H ATOM 193 HZ1 LYS A 496 54.576 -12.621 4.815 1.00 0.00 H ATOM 194 HZ2 LYS A 496 53.888 -13.008 3.310 1.00 0.00 H ATOM 195 HZ3 LYS A 496 54.640 -14.218 4.236 1.00 0.00 H ATOM 196 H LYS A 496 60.000 -9.315 3.163 1.00 0.00 H ATOM 197 N SER A 497 58.414 -7.883 -0.469 1.00 8.64 N ATOM 198 CA SER A 497 58.376 -6.585 -1.133 1.00 9.50 C ATOM 199 C SER A 497 57.388 -5.663 -0.419 1.00 10.04 C ATOM 200 O SER A 497 56.805 -6.022 0.608 1.00 10.04 O ATOM 201 CB SER A 497 57.907 -6.758 -2.577 1.00 9.06 C ATOM 202 OG SER A 497 56.607 -7.330 -2.635 1.00 10.21 O ATOM 203 HA SER A 497 59.377 -6.153 -1.109 1.00 0.00 H ATOM 204 HB2 SER A 497 58.605 -7.410 -3.101 1.00 0.00 H ATOM 205 HB3 SER A 497 57.888 -5.783 -3.063 1.00 0.00 H ATOM 206 HG SER A 497 55.967 -6.739 -2.165 1.00 0.00 H ATOM 207 H SER A 497 57.916 -8.685 -0.905 1.00 0.00 H ATOM 208 N GLY A 498 57.186 -4.471 -0.963 1.00 8.83 N ATOM 209 CA GLY A 498 56.195 -3.575 -0.384 1.00 9.48 C ATOM 210 C GLY A 498 56.676 -2.182 -0.075 1.00 9.51 C ATOM 211 O GLY A 498 57.620 -1.710 -0.693 1.00 8.75 O ATOM 212 HA3 GLY A 498 55.842 -4.022 0.545 1.00 0.00 H ATOM 213 HA2 GLY A 498 55.365 -3.495 -1.086 1.00 0.00 H ATOM 214 H GLY A 498 57.732 -4.178 -1.798 1.00 0.00 H ATOM 215 N GLN A 499 55.995 -1.524 0.862 1.00 9.05 N ATOM 216 CA GLN A 499 56.366 -0.170 1.278 1.00 9.35 C ATOM 217 C GLN A 499 57.581 -0.325 2.178 1.00 8.02 C ATOM 218 O GLN A 499 57.487 -0.843 3.287 1.00 8.73 O ATOM 219 CB GLN A 499 55.208 0.501 2.012 1.00 10.80 C ATOM 220 CG GLN A 499 54.058 0.837 1.060 1.00 14.48 C ATOM 221 CD GLN A 499 52.982 1.710 1.689 1.00 17.18 C ATOM 222 OE1 GLN A 499 52.633 1.545 2.854 1.00 20.49 O ATOM 223 NE2 GLN A 499 52.439 2.637 0.902 1.00 19.67 N ATOM 224 HA GLN A 499 56.596 0.466 0.423 1.00 0.00 H ATOM 225 HB2 GLN A 499 54.841 -0.173 2.786 1.00 0.00 H ATOM 226 HB3 GLN A 499 55.567 1.421 2.473 1.00 0.00 H ATOM 227 HG2 GLN A 499 54.467 1.362 0.197 1.00 0.00 H ATOM 228 HG3 GLN A 499 53.598 -0.095 0.732 1.00 0.00 H ATOM 229 HE22 GLN A 499 52.766 2.742 -0.080 1.00 0.00 H ATOM 230 HE21 GLN A 499 51.688 3.256 1.269 1.00 0.00 H ATOM 231 H GLN A 499 55.177 -1.985 1.310 1.00 0.00 H ATOM 232 N LEU A 500 58.725 0.129 1.678 1.00 6.95 N ATOM 233 CA LEU A 500 60.001 -0.052 2.346 1.00 7.15 C ATOM 234 C LEU A 500 60.785 1.218 2.657 1.00 7.45 C ATOM 235 O LEU A 500 60.994 2.081 1.785 1.00 8.35 O ATOM 236 CB LEU A 500 60.852 -1.017 1.487 1.00 8.17 C ATOM 237 CG LEU A 500 60.260 -2.427 1.325 1.00 8.82 C ATOM 238 CD1 LEU A 500 60.968 -3.173 0.200 1.00 9.39 C ATOM 239 CD2 LEU A 500 60.387 -3.209 2.628 1.00 8.69 C ATOM 240 HA LEU A 500 59.776 -0.458 3.332 1.00 0.00 H ATOM 241 HB2 LEU A 500 60.964 -0.580 0.495 1.00 0.00 H ATOM 242 HB3 LEU A 500 61.833 -1.112 1.953 1.00 0.00 H ATOM 243 HG LEU A 500 59.204 -2.330 1.074 1.00 0.00 H ATOM 244 HD21 LEU A 500 61.440 -3.294 2.898 1.00 0.00 H ATOM 245 HD22 LEU A 500 59.849 -2.686 3.418 1.00 0.00 H ATOM 246 HD23 LEU A 500 59.963 -4.204 2.496 1.00 0.00 H ATOM 247 HD11 LEU A 500 60.842 -2.625 -0.733 1.00 0.00 H ATOM 248 HD12 LEU A 500 62.029 -3.257 0.433 1.00 0.00 H ATOM 249 HD13 LEU A 500 60.537 -4.169 0.099 1.00 0.00 H ATOM 250 H LEU A 500 58.706 0.635 0.770 1.00 0.00 H ATOM 251 N LEU A 501 61.216 1.303 3.913 1.00 7.66 N ATOM 252 CA LEU A 501 62.016 2.402 4.423 1.00 7.48 C ATOM 253 C LEU A 501 63.481 2.081 4.128 1.00 8.25 C ATOM 254 O LEU A 501 63.960 0.988 4.437 1.00 8.83 O ATOM 255 CB LEU A 501 61.805 2.537 5.933 1.00 7.51 C ATOM 256 CG LEU A 501 62.772 3.478 6.665 1.00 7.99 C ATOM 257 CD1 LEU A 501 62.529 4.917 6.213 1.00 9.70 C ATOM 258 CD2 LEU A 501 62.573 3.339 8.163 1.00 10.26 C ATOM 259 HA LEU A 501 61.728 3.341 3.950 1.00 0.00 H ATOM 260 HB2 LEU A 501 60.792 2.905 6.097 1.00 0.00 H ATOM 261 HB3 LEU A 501 61.906 1.545 6.374 1.00 0.00 H ATOM 262 HG LEU A 501 63.802 3.212 6.425 1.00 0.00 H ATOM 263 HD21 LEU A 501 61.546 3.601 8.418 1.00 0.00 H ATOM 264 HD22 LEU A 501 62.771 2.309 8.461 1.00 0.00 H ATOM 265 HD23 LEU A 501 63.260 4.007 8.683 1.00 0.00 H ATOM 266 HD11 LEU A 501 62.694 4.992 5.138 1.00 0.00 H ATOM 267 HD12 LEU A 501 61.502 5.201 6.444 1.00 0.00 H ATOM 268 HD13 LEU A 501 63.217 5.582 6.735 1.00 0.00 H ATOM 269 H LEU A 501 60.965 0.536 4.569 1.00 0.00 H ATOM 270 N MET A 502 64.180 3.035 3.529 1.00 9.02 N ATOM 271 CA MET A 502 65.580 2.845 3.194 1.00 10.39 C ATOM 272 C MET A 502 66.544 3.291 4.286 1.00 10.06 C ATOM 273 O MET A 502 66.387 4.354 4.873 1.00 12.02 O ATOM 274 CB MET A 502 65.917 3.600 1.901 1.00 12.33 C ATOM 275 CG MET A 502 65.104 3.135 0.686 1.00 15.33 C ATOM 276 SD MET A 502 65.565 3.894 -0.891 1.00 20.35 S ATOM 277 CE MET A 502 65.596 5.529 -0.428 1.00 19.19 C ATOM 278 HA MET A 502 65.711 1.770 3.071 1.00 0.00 H ATOM 279 HB2 MET A 502 65.722 4.660 2.061 1.00 0.00 H ATOM 280 HB3 MET A 502 66.975 3.455 1.683 1.00 0.00 H ATOM 281 HG2 MET A 502 64.055 3.363 0.875 1.00 0.00 H ATOM 282 HG3 MET A 502 65.229 2.056 0.590 1.00 0.00 H ATOM 283 HE1 MET A 502 64.611 5.821 -0.065 1.00 0.00 H ATOM 284 HE2 MET A 502 66.332 5.667 0.364 1.00 0.00 H ATOM 285 HE3 MET A 502 65.865 6.144 -1.287 1.00 0.00 H ATOM 286 H MET A 502 63.717 3.936 3.295 1.00 0.00 H ATOM 287 N CYS A 503 67.544 2.462 4.558 1.00 9.99 N ATOM 288 CA CYS A 503 68.549 2.828 5.540 1.00 10.41 C ATOM 289 C CYS A 503 69.439 3.911 4.922 1.00 11.04 C ATOM 290 O CYS A 503 69.783 3.834 3.745 1.00 11.71 O ATOM 291 CB CYS A 503 69.420 1.629 5.885 1.00 9.39 C ATOM 292 SG CYS A 503 70.817 2.054 6.963 1.00 11.61 S ATOM 293 HA CYS A 503 68.059 3.182 6.447 1.00 0.00 H ATOM 294 HB2 CYS A 503 69.811 1.206 4.960 1.00 0.00 H ATOM 295 HB3 CYS A 503 68.804 0.886 6.391 1.00 0.00 H ATOM 296 HG CYS A 503 71.554 0.918 7.228 1.00 0.00 H ATOM 297 H CYS A 503 67.608 1.548 4.066 1.00 0.00 H ATOM 298 N ASP A 504 69.818 4.905 5.721 1.00 12.30 N ATOM 299 CA ASP A 504 70.659 5.995 5.224 1.00 13.91 C ATOM 300 C ASP A 504 72.150 5.671 5.143 1.00 14.49 C ATOM 301 O ASP A 504 72.926 6.447 4.568 1.00 17.08 O ATOM 302 CB ASP A 504 70.467 7.246 6.093 1.00 15.00 C ATOM 303 CG ASP A 504 69.148 7.947 5.830 1.00 17.06 C ATOM 304 OD1 ASP A 504 68.738 7.992 4.653 1.00 19.57 O ATOM 305 OD2 ASP A 504 68.543 8.468 6.792 1.00 20.12 O ATOM 306 HA ASP A 504 70.327 6.165 4.200 1.00 0.00 H ATOM 307 HB2 ASP A 504 70.502 6.951 7.142 1.00 0.00 H ATOM 308 HB3 ASP A 504 71.279 7.943 5.886 1.00 0.00 H ATOM 309 H ASP A 504 69.512 4.908 6.715 1.00 0.00 H ATOM 310 N THR A 505 72.559 4.533 5.692 1.00 13.99 N ATOM 311 CA THR A 505 73.975 4.177 5.660 1.00 14.66 C ATOM 312 C THR A 505 74.336 2.850 5.003 1.00 14.50 C ATOM 313 O THR A 505 75.510 2.502 4.921 1.00 16.04 O ATOM 314 CB THR A 505 74.582 4.212 7.065 1.00 15.23 C ATOM 315 OG1 THR A 505 73.806 3.398 7.951 1.00 15.66 O ATOM 316 CG2 THR A 505 74.608 5.637 7.584 1.00 15.89 C ATOM 317 HA THR A 505 74.402 4.944 5.014 1.00 0.00 H ATOM 318 HB THR A 505 75.601 3.827 7.017 1.00 0.00 H ATOM 319 HG1 THR A 505 73.800 2.465 7.620 1.00 0.00 H ATOM 320 HG23 THR A 505 75.199 6.257 6.910 1.00 0.00 H ATOM 321 HG21 THR A 505 73.590 6.022 7.636 1.00 0.00 H ATOM 322 HG22 THR A 505 75.054 5.652 8.578 1.00 0.00 H ATOM 323 H THR A 505 71.872 3.896 6.144 1.00 0.00 H ATOM 324 N CYS A 506 73.337 2.104 4.544 1.00 13.92 N ATOM 325 CA CYS A 506 73.589 0.848 3.852 1.00 13.23 C ATOM 326 C CYS A 506 72.429 0.595 2.885 1.00 13.77 C ATOM 327 O CYS A 506 71.443 1.344 2.878 1.00 14.20 O ATOM 328 CB CYS A 506 73.770 -0.316 4.844 1.00 13.77 C ATOM 329 SG CYS A 506 72.276 -1.165 5.380 1.00 11.48 S ATOM 330 HA CYS A 506 74.522 0.915 3.292 1.00 0.00 H ATOM 331 HB2 CYS A 506 74.261 0.081 5.733 1.00 0.00 H ATOM 332 HB3 CYS A 506 74.418 -1.054 4.372 1.00 0.00 H ATOM 333 HG CYS A 506 72.612 -2.173 6.260 1.00 0.00 H ATOM 334 H CYS A 506 72.357 2.423 4.682 1.00 0.00 H ATOM 335 N SER A 507 72.556 -0.444 2.069 1.00 12.75 N ATOM 336 CA SER A 507 71.549 -0.785 1.059 1.00 13.18 C ATOM 337 C SER A 507 70.277 -1.473 1.543 1.00 12.06 C ATOM 338 O SER A 507 69.360 -1.698 0.745 1.00 12.12 O ATOM 339 CB SER A 507 72.185 -1.660 -0.034 1.00 12.50 C ATOM 340 OG SER A 507 72.602 -2.907 0.505 1.00 16.38 O ATOM 341 HA SER A 507 71.220 0.188 0.694 1.00 0.00 H ATOM 342 HB2 SER A 507 73.049 -1.142 -0.451 1.00 0.00 H ATOM 343 HB3 SER A 507 71.454 -1.837 -0.823 1.00 0.00 H ATOM 344 HG SER A 507 71.819 -3.381 0.881 1.00 0.00 H ATOM 345 H SER A 507 73.404 -1.041 2.149 1.00 0.00 H ATOM 346 N ARG A 508 70.209 -1.809 2.829 1.00 9.92 N ATOM 347 CA ARG A 508 69.027 -2.493 3.364 1.00 9.32 C ATOM 348 C ARG A 508 67.781 -1.612 3.439 1.00 8.85 C ATOM 349 O ARG A 508 67.877 -0.383 3.538 1.00 9.01 O ATOM 350 CB ARG A 508 69.306 -3.055 4.764 1.00 10.59 C ATOM 351 CG ARG A 508 70.340 -4.168 4.801 1.00 11.54 C ATOM 352 CD ARG A 508 70.601 -4.585 6.240 1.00 14.09 C ATOM 353 NE ARG A 508 71.610 -5.642 6.359 1.00 16.02 N ATOM 354 CZ ARG A 508 71.388 -6.937 6.151 1.00 17.69 C ATOM 355 NH1 ARG A 508 70.180 -7.374 5.808 1.00 18.43 N ATOM 356 NH2 ARG A 508 72.381 -7.806 6.289 1.00 20.09 N ATOM 357 HA ARG A 508 68.823 -3.296 2.656 1.00 0.00 H ATOM 358 HB2 ARG A 508 69.660 -2.239 5.394 1.00 0.00 H ATOM 359 HB3 ARG A 508 68.371 -3.445 5.167 1.00 0.00 H ATOM 360 HG2 ARG A 508 69.970 -5.025 4.238 1.00 0.00 H ATOM 361 HG3 ARG A 508 71.268 -3.814 4.353 1.00 0.00 H ATOM 362 HD2 ARG A 508 69.667 -4.946 6.672 1.00 0.00 H ATOM 363 HD3 ARG A 508 70.944 -3.713 6.797 1.00 0.00 H ATOM 364 HE ARG A 508 72.574 -5.357 6.627 1.00 0.00 H ATOM 365 HH12 ARG A 508 70.020 -8.389 5.648 1.00 0.00 H ATOM 366 HH11 ARG A 508 69.395 -6.701 5.699 1.00 0.00 H ATOM 367 HH22 ARG A 508 72.212 -8.819 6.127 1.00 0.00 H ATOM 368 HH21 ARG A 508 73.329 -7.474 6.559 1.00 0.00 H ATOM 369 H ARG A 508 71.003 -1.584 3.462 1.00 0.00 H ATOM 370 N VAL A 509 66.623 -2.270 3.387 1.00 8.55 N ATOM 371 CA VAL A 509 65.316 -1.627 3.465 1.00 9.25 C ATOM 372 C VAL A 509 64.458 -2.449 4.417 1.00 8.60 C ATOM 373 O VAL A 509 64.684 -3.645 4.590 1.00 8.17 O ATOM 374 CB VAL A 509 64.633 -1.517 2.062 1.00 9.44 C ATOM 375 CG1 VAL A 509 65.513 -0.670 1.136 1.00 10.30 C ATOM 376 CG2 VAL A 509 64.362 -2.918 1.484 1.00 9.27 C ATOM 377 HA VAL A 509 65.433 -0.606 3.829 1.00 0.00 H ATOM 378 HB VAL A 509 63.667 -1.022 2.158 1.00 0.00 H ATOM 379 HG11 VAL A 509 65.634 0.326 1.563 1.00 0.00 H ATOM 380 HG12 VAL A 509 66.489 -1.143 1.031 1.00 0.00 H ATOM 381 HG13 VAL A 509 65.039 -0.592 0.158 1.00 0.00 H ATOM 382 HG21 VAL A 509 65.305 -3.455 1.379 1.00 0.00 H ATOM 383 HG22 VAL A 509 63.703 -3.466 2.158 1.00 0.00 H ATOM 384 HG23 VAL A 509 63.887 -2.821 0.508 1.00 0.00 H ATOM 385 H VAL A 509 66.653 -3.305 3.285 1.00 0.00 H ATOM 386 N TYR A 510 63.463 -1.800 5.004 1.00 8.11 N ATOM 387 CA TYR A 510 62.617 -2.432 6.009 1.00 7.57 C ATOM 388 C TYR A 510 61.169 -1.977 5.975 1.00 7.30 C ATOM 389 O TYR A 510 60.891 -0.822 5.673 1.00 8.06 O ATOM 390 CB TYR A 510 63.127 -2.055 7.412 1.00 9.46 C ATOM 391 CG TYR A 510 64.471 -2.588 7.811 1.00 9.11 C ATOM 392 CD1 TYR A 510 64.568 -3.623 8.743 1.00 10.67 C ATOM 393 CD2 TYR A 510 65.647 -2.065 7.269 1.00 11.08 C ATOM 394 CE1 TYR A 510 65.804 -4.126 9.126 1.00 11.31 C ATOM 395 CE2 TYR A 510 66.885 -2.562 7.643 1.00 12.24 C ATOM 396 CZ TYR A 510 66.953 -3.590 8.573 1.00 12.01 C ATOM 397 OH TYR A 510 68.172 -4.098 8.967 1.00 15.91 O ATOM 398 HA TYR A 510 62.663 -3.499 5.791 1.00 0.00 H ATOM 399 HB3 TYR A 510 62.399 -2.420 8.136 1.00 0.00 H ATOM 400 HB2 TYR A 510 63.175 -0.967 7.464 1.00 0.00 H ATOM 401 HD2 TYR A 510 65.590 -1.255 6.542 1.00 0.00 H ATOM 402 HE2 TYR A 510 67.797 -2.150 7.211 1.00 0.00 H ATOM 403 HE1 TYR A 510 65.868 -4.934 9.854 1.00 0.00 H ATOM 404 HD1 TYR A 510 63.660 -4.042 9.176 1.00 0.00 H ATOM 405 HH TYR A 510 68.029 -4.819 9.630 1.00 0.00 H ATOM 406 H TYR A 510 63.280 -0.811 4.740 1.00 0.00 H ATOM 407 N HIS A 511 60.243 -2.881 6.267 1.00 6.65 N ATOM 408 CA HIS A 511 58.865 -2.449 6.400 1.00 7.71 C ATOM 409 C HIS A 511 58.821 -1.751 7.757 1.00 8.71 C ATOM 410 O HIS A 511 59.466 -2.195 8.713 1.00 8.41 O ATOM 411 CB HIS A 511 57.903 -3.623 6.506 1.00 8.39 C ATOM 412 CG HIS A 511 57.726 -4.377 5.236 1.00 6.54 C ATOM 413 ND1 HIS A 511 58.111 -5.691 5.100 1.00 6.99 N ATOM 414 CD2 HIS A 511 57.179 -4.016 4.052 1.00 8.78 C ATOM 415 CE1 HIS A 511 57.807 -6.110 3.883 1.00 8.29 C ATOM 416 NE2 HIS A 511 57.243 -5.112 3.225 1.00 7.99 N ATOM 417 HA HIS A 511 58.579 -1.842 5.541 1.00 0.00 H ATOM 418 HB2 HIS A 511 58.282 -4.310 7.263 1.00 0.00 H ATOM 419 HB3 HIS A 511 56.930 -3.242 6.817 1.00 0.00 H ATOM 420 HD2 HIS A 511 56.765 -3.039 3.801 1.00 0.00 H ATOM 421 HE1 HIS A 511 57.991 -7.110 3.489 1.00 0.00 H ATOM 422 H HIS A 511 60.500 -3.880 6.398 1.00 0.00 H ATOM 423 N LEU A 512 58.035 -0.688 7.864 1.00 9.55 N ATOM 424 CA LEU A 512 57.905 -0.008 9.150 1.00 10.09 C ATOM 425 C LEU A 512 57.329 -0.975 10.203 1.00 10.87 C ATOM 426 O LEU A 512 57.700 -0.893 11.383 1.00 9.83 O ATOM 427 CB LEU A 512 56.991 1.211 9.022 1.00 10.15 C ATOM 428 CG LEU A 512 57.452 2.364 8.133 1.00 9.04 C ATOM 429 CD1 LEU A 512 56.378 3.448 8.186 1.00 11.86 C ATOM 430 CD2 LEU A 512 58.805 2.911 8.564 1.00 11.23 C ATOM 431 HA LEU A 512 58.894 0.324 9.465 1.00 0.00 H ATOM 432 HB2 LEU A 512 56.036 0.861 8.629 1.00 0.00 H ATOM 433 HB3 LEU A 512 56.845 1.613 10.024 1.00 0.00 H ATOM 434 HG LEU A 512 57.584 2.007 7.112 1.00 0.00 H ATOM 435 HD21 LEU A 512 58.738 3.276 9.589 1.00 0.00 H ATOM 436 HD22 LEU A 512 59.551 2.118 8.508 1.00 0.00 H ATOM 437 HD23 LEU A 512 59.092 3.729 7.903 1.00 0.00 H ATOM 438 HD11 LEU A 512 55.435 3.041 7.822 1.00 0.00 H ATOM 439 HD12 LEU A 512 56.256 3.787 9.215 1.00 0.00 H ATOM 440 HD13 LEU A 512 56.679 4.287 7.559 1.00 0.00 H ATOM 441 H LEU A 512 57.513 -0.340 7.035 1.00 0.00 H ATOM 442 N ASP A 513 56.452 -1.883 9.764 1.00 10.95 N ATOM 443 CA ASP A 513 55.804 -2.873 10.639 1.00 13.01 C ATOM 444 C ASP A 513 56.757 -3.940 11.141 1.00 12.52 C ATOM 445 O ASP A 513 56.430 -4.671 12.080 1.00 13.17 O ATOM 446 CB ASP A 513 54.675 -3.629 9.912 1.00 16.68 C ATOM 447 CG ASP A 513 53.536 -2.745 9.473 1.00 20.35 C ATOM 448 OD1 ASP A 513 53.355 -1.653 10.038 1.00 23.79 O ATOM 449 OD2 ASP A 513 52.800 -3.169 8.559 1.00 23.15 O ATOM 450 HA ASP A 513 55.423 -2.282 11.472 1.00 0.00 H ATOM 451 HB2 ASP A 513 55.096 -4.111 9.030 1.00 0.00 H ATOM 452 HB3 ASP A 513 54.280 -4.389 10.586 1.00 0.00 H ATOM 453 H ASP A 513 56.215 -1.890 8.751 1.00 0.00 H ATOM 454 N CYS A 514 57.911 -4.070 10.494 1.00 11.24 N ATOM 455 CA CYS A 514 58.875 -5.082 10.896 1.00 11.33 C ATOM 456 C CYS A 514 59.962 -4.598 11.847 1.00 11.76 C ATOM 457 O CYS A 514 60.856 -5.359 12.231 1.00 13.11 O ATOM 458 CB CYS A 514 59.510 -5.724 9.656 1.00 9.18 C ATOM 459 SG CYS A 514 58.393 -6.735 8.633 1.00 10.31 S ATOM 460 HA CYS A 514 58.302 -5.815 11.464 1.00 0.00 H ATOM 461 HB2 CYS A 514 60.328 -6.362 9.990 1.00 0.00 H ATOM 462 HB3 CYS A 514 59.907 -4.925 9.030 1.00 0.00 H ATOM 463 HG CYS A 514 59.093 -7.247 7.559 1.00 0.00 H ATOM 464 H CYS A 514 58.126 -3.442 9.693 1.00 0.00 H ATOM 465 N LEU A 515 59.883 -3.335 12.238 1.00 10.68 N ATOM 466 CA LEU A 515 60.861 -2.779 13.157 1.00 11.26 C ATOM 467 C LEU A 515 60.388 -3.026 14.587 1.00 11.51 C ATOM 468 O LEU A 515 59.209 -3.261 14.820 1.00 11.35 O ATOM 469 CB LEU A 515 61.012 -1.273 12.918 1.00 11.77 C ATOM 470 CG LEU A 515 61.473 -0.869 11.514 1.00 11.88 C ATOM 471 CD1 LEU A 515 61.437 0.650 11.355 1.00 11.09 C ATOM 472 CD2 LEU A 515 62.874 -1.402 11.272 1.00 11.82 C ATOM 473 HA LEU A 515 61.827 -3.258 12.995 1.00 0.00 H ATOM 474 HB2 LEU A 515 60.045 -0.805 13.101 1.00 0.00 H ATOM 475 HB3 LEU A 515 61.740 -0.891 13.633 1.00 0.00 H ATOM 476 HG LEU A 515 60.796 -1.298 10.775 1.00 0.00 H ATOM 477 HD21 LEU A 515 63.554 -0.983 12.014 1.00 0.00 H ATOM 478 HD22 LEU A 515 62.867 -2.489 11.356 1.00 0.00 H ATOM 479 HD23 LEU A 515 63.203 -1.115 10.273 1.00 0.00 H ATOM 480 HD11 LEU A 515 60.419 1.006 11.510 1.00 0.00 H ATOM 481 HD12 LEU A 515 62.099 1.107 12.091 1.00 0.00 H ATOM 482 HD13 LEU A 515 61.768 0.917 10.351 1.00 0.00 H ATOM 483 H LEU A 515 59.112 -2.734 11.883 1.00 0.00 H ATOM 484 N ASP A 516 61.323 -3.011 15.529 1.00 10.82 N ATOM 485 CA ASP A 516 61.001 -3.189 16.947 1.00 11.14 C ATOM 486 C ASP A 516 61.577 -1.960 17.640 1.00 10.50 C ATOM 487 O ASP A 516 62.791 -1.832 17.786 1.00 10.59 O ATOM 488 CB ASP A 516 61.654 -4.459 17.497 1.00 11.17 C ATOM 489 CG ASP A 516 61.563 -4.559 19.014 1.00 12.31 C ATOM 490 OD1 ASP A 516 60.618 -4.005 19.594 1.00 11.91 O ATOM 491 OD2 ASP A 516 62.447 -5.198 19.623 1.00 14.98 O ATOM 492 HA ASP A 516 59.928 -3.292 17.108 1.00 0.00 H ATOM 493 HB2 ASP A 516 61.156 -5.325 17.060 1.00 0.00 H ATOM 494 HB3 ASP A 516 62.705 -4.463 17.210 1.00 0.00 H ATOM 495 H ASP A 516 62.315 -2.868 15.252 1.00 0.00 H ATOM 496 N PRO A 517 60.720 -1.027 18.072 1.00 10.59 N ATOM 497 CA PRO A 517 59.259 -1.037 17.965 1.00 10.67 C ATOM 498 C PRO A 517 58.734 -0.740 16.562 1.00 10.99 C ATOM 499 O PRO A 517 59.339 0.001 15.804 1.00 10.85 O ATOM 500 CB PRO A 517 58.853 0.036 18.963 1.00 11.30 C ATOM 501 CG PRO A 517 59.926 1.044 18.786 1.00 9.97 C ATOM 502 CD PRO A 517 61.190 0.210 18.720 1.00 10.32 C ATOM 503 HA PRO A 517 58.839 -2.022 18.171 1.00 0.00 H ATOM 504 HD3 PRO A 517 61.957 0.702 18.122 1.00 0.00 H ATOM 505 HD2 PRO A 517 61.582 0.009 19.717 1.00 0.00 H ATOM 506 HG3 PRO A 517 59.957 1.732 19.631 1.00 0.00 H ATOM 507 HG2 PRO A 517 59.783 1.608 17.864 1.00 0.00 H ATOM 508 HB2 PRO A 517 57.875 0.452 18.722 1.00 0.00 H ATOM 509 HB3 PRO A 517 58.840 -0.354 19.981 1.00 0.00 H ATOM 510 N PRO A 518 57.565 -1.297 16.215 1.00 11.22 N ATOM 511 CA PRO A 518 57.001 -1.046 14.884 1.00 10.58 C ATOM 512 C PRO A 518 56.481 0.386 14.733 1.00 11.27 C ATOM 513 O PRO A 518 55.946 0.975 15.681 1.00 11.02 O ATOM 514 CB PRO A 518 55.894 -2.085 14.786 1.00 10.96 C ATOM 515 CG PRO A 518 55.405 -2.184 16.212 1.00 11.67 C ATOM 516 CD PRO A 518 56.695 -2.181 17.014 1.00 11.24 C ATOM 517 HA PRO A 518 57.736 -1.134 14.084 1.00 0.00 H ATOM 518 HD3 PRO A 518 56.536 -1.779 18.015 1.00 0.00 H ATOM 519 HD2 PRO A 518 57.115 -3.184 17.089 1.00 0.00 H ATOM 520 HG3 PRO A 518 54.846 -3.106 16.372 1.00 0.00 H ATOM 521 HG2 PRO A 518 54.779 -1.331 16.472 1.00 0.00 H ATOM 522 HB2 PRO A 518 55.099 -1.751 14.120 1.00 0.00 H ATOM 523 HB3 PRO A 518 56.282 -3.042 14.436 1.00 0.00 H ATOM 524 N LEU A 519 56.601 0.946 13.533 1.00 11.42 N ATOM 525 CA LEU A 519 56.183 2.322 13.315 1.00 13.06 C ATOM 526 C LEU A 519 55.023 2.506 12.359 1.00 14.46 C ATOM 527 O LEU A 519 54.816 1.704 11.454 1.00 15.06 O ATOM 528 CB LEU A 519 57.359 3.133 12.773 1.00 12.54 C ATOM 529 CG LEU A 519 58.668 3.087 13.564 1.00 12.60 C ATOM 530 CD1 LEU A 519 59.771 3.794 12.795 1.00 13.39 C ATOM 531 CD2 LEU A 519 58.490 3.698 14.934 1.00 13.61 C ATOM 532 HA LEU A 519 55.843 2.665 14.292 1.00 0.00 H ATOM 533 HB2 LEU A 519 57.571 2.770 11.767 1.00 0.00 H ATOM 534 HB3 LEU A 519 57.043 4.175 12.723 1.00 0.00 H ATOM 535 HG LEU A 519 58.955 2.044 13.699 1.00 0.00 H ATOM 536 HD21 LEU A 519 58.179 4.737 14.829 1.00 0.00 H ATOM 537 HD22 LEU A 519 57.729 3.143 15.482 1.00 0.00 H ATOM 538 HD23 LEU A 519 59.435 3.653 15.476 1.00 0.00 H ATOM 539 HD11 LEU A 519 59.916 3.300 11.834 1.00 0.00 H ATOM 540 HD12 LEU A 519 59.489 4.834 12.631 1.00 0.00 H ATOM 541 HD13 LEU A 519 60.696 3.753 13.370 1.00 0.00 H ATOM 542 H LEU A 519 56.997 0.396 12.744 1.00 0.00 H ATOM 543 N LYS A 520 54.270 3.546 12.577 1.00 16.71 N ATOM 544 CA LYS A 520 53.185 3.934 11.707 1.00 18.45 C ATOM 545 C LYS A 520 53.723 5.215 11.092 1.00 20.00 C ATOM 546 O LYS A 520 53.436 5.572 9.953 1.00 21.54 O ATOM 547 CB LYS A 520 51.888 4.236 12.450 1.00 20.54 C ATOM 548 CG LYS A 520 51.137 2.987 12.887 1.00 23.79 C ATOM 549 CD LYS A 520 49.660 3.081 12.558 1.00 25.34 C ATOM 550 CE LYS A 520 49.428 3.063 11.054 1.00 26.00 C ATOM 551 NZ LYS A 520 47.976 3.068 10.715 1.00 27.43 N ATOM 552 HA LYS A 520 52.924 3.142 11.005 1.00 0.00 H ATOM 553 HB2 LYS A 520 52.126 4.824 13.336 1.00 0.00 H ATOM 554 HB3 LYS A 520 51.240 4.817 11.793 1.00 0.00 H ATOM 555 HG2 LYS A 520 51.560 2.122 12.375 1.00 0.00 H ATOM 556 HG3 LYS A 520 51.253 2.863 13.964 1.00 0.00 H ATOM 557 HD2 LYS A 520 49.141 2.235 13.008 1.00 0.00 H ATOM 558 HD3 LYS A 520 49.263 4.009 12.968 1.00 0.00 H ATOM 559 HE2 LYS A 520 49.884 2.165 10.638 1.00 0.00 H ATOM 560 HE3 LYS A 520 49.896 3.944 10.614 1.00 0.00 H ATOM 561 HZ1 LYS A 520 47.523 2.227 11.125 1.00 0.00 H ATOM 562 HZ2 LYS A 520 47.534 3.926 11.103 1.00 0.00 H ATOM 563 HZ3 LYS A 520 47.863 3.055 9.681 1.00 0.00 H ATOM 564 H LYS A 520 54.460 4.126 13.419 1.00 0.00 H ATOM 565 N THR A 521 54.525 5.880 11.924 1.00 20.94 N ATOM 566 CA THR A 521 55.179 7.145 11.628 1.00 21.49 C ATOM 567 C THR A 521 56.562 6.883 11.034 1.00 20.65 C ATOM 568 O THR A 521 57.385 6.201 11.645 1.00 21.42 O ATOM 569 CB THR A 521 55.380 7.943 12.921 1.00 23.48 C ATOM 570 OG1 THR A 521 56.318 7.260 13.766 1.00 27.03 O ATOM 571 CG2 THR A 521 54.059 8.116 13.663 1.00 22.59 C ATOM 572 HA THR A 521 54.554 7.699 10.927 1.00 0.00 H ATOM 573 HB THR A 521 55.764 8.930 12.662 1.00 0.00 H ATOM 574 HG1 THR A 521 57.184 7.174 13.294 1.00 0.00 H ATOM 575 HG23 THR A 521 53.348 8.635 13.020 1.00 0.00 H ATOM 576 HG21 THR A 521 53.662 7.136 13.929 1.00 0.00 H ATOM 577 HG22 THR A 521 54.226 8.700 14.568 1.00 0.00 H ATOM 578 H THR A 521 54.697 5.460 12.860 1.00 0.00 H ATOM 579 N ILE A 522 56.811 7.424 9.845 1.00 20.21 N ATOM 580 CA ILE A 522 58.102 7.260 9.175 1.00 19.05 C ATOM 581 C ILE A 522 59.150 8.110 9.914 1.00 17.56 C ATOM 582 O ILE A 522 58.871 9.242 10.300 1.00 16.03 O ATOM 583 CB ILE A 522 57.994 7.690 7.674 1.00 20.22 C ATOM 584 CG1 ILE A 522 59.208 7.195 6.880 1.00 20.57 C ATOM 585 CG2 ILE A 522 57.859 9.206 7.560 1.00 20.19 C ATOM 586 CD1 ILE A 522 60.490 7.967 7.120 1.00 20.85 C ATOM 587 HA ILE A 522 58.403 6.213 9.198 1.00 0.00 H ATOM 588 HB ILE A 522 57.100 7.232 7.250 1.00 0.00 H ATOM 589 HG12 ILE A 522 59.385 6.153 7.148 1.00 0.00 H ATOM 590 HG13 ILE A 522 58.968 7.260 5.819 1.00 0.00 H ATOM 591 HD11 ILE A 522 60.341 9.011 6.844 1.00 0.00 H ATOM 592 HD12 ILE A 522 60.759 7.903 8.174 1.00 0.00 H ATOM 593 HD13 ILE A 522 61.289 7.540 6.513 1.00 0.00 H ATOM 594 HG21 ILE A 522 56.962 9.530 8.087 1.00 0.00 H ATOM 595 HG22 ILE A 522 58.734 9.682 8.003 1.00 0.00 H ATOM 596 HG23 ILE A 522 57.785 9.485 6.509 1.00 0.00 H ATOM 597 H ILE A 522 56.067 7.980 9.377 1.00 0.00 H ATOM 598 N PRO A 523 60.358 7.560 10.153 1.00 16.24 N ATOM 599 CA PRO A 523 61.411 8.309 10.852 1.00 16.90 C ATOM 600 C PRO A 523 61.765 9.679 10.276 1.00 17.90 C ATOM 601 O PRO A 523 61.815 9.861 9.058 1.00 18.78 O ATOM 602 CB PRO A 523 62.608 7.356 10.794 1.00 16.85 C ATOM 603 CG PRO A 523 61.978 6.021 10.872 1.00 16.49 C ATOM 604 CD PRO A 523 60.792 6.169 9.915 1.00 17.14 C ATOM 605 HA PRO A 523 61.077 8.574 11.855 1.00 0.00 H ATOM 606 HD3 PRO A 523 61.101 6.024 8.880 1.00 0.00 H ATOM 607 HD2 PRO A 523 59.999 5.462 10.158 1.00 0.00 H ATOM 608 HG3 PRO A 523 61.644 5.800 11.886 1.00 0.00 H ATOM 609 HG2 PRO A 523 62.662 5.241 10.538 1.00 0.00 H ATOM 610 HB2 PRO A 523 63.159 7.475 9.861 1.00 0.00 H ATOM 611 HB3 PRO A 523 63.281 7.521 11.635 1.00 0.00 H ATOM 612 N LYS A 524 62.016 10.638 11.160 1.00 18.36 N ATOM 613 CA LYS A 524 62.390 11.979 10.734 1.00 19.27 C ATOM 614 C LYS A 524 63.905 12.129 10.852 1.00 19.43 C ATOM 615 O LYS A 524 64.530 11.565 11.749 1.00 19.68 O ATOM 616 CB LYS A 524 61.659 13.019 11.587 1.00 19.95 C ATOM 617 CG LYS A 524 60.143 12.859 11.549 1.00 19.49 C ATOM 618 CD LYS A 524 59.632 12.779 10.105 1.00 21.21 C ATOM 619 CE LYS A 524 58.116 12.649 10.022 1.00 22.11 C ATOM 620 NZ LYS A 524 57.589 11.403 10.645 1.00 22.96 N ATOM 621 HA LYS A 524 62.101 12.140 9.695 1.00 0.00 H ATOM 622 HB2 LYS A 524 61.994 12.920 12.620 1.00 0.00 H ATOM 623 HB3 LYS A 524 61.913 14.013 11.218 1.00 0.00 H ATOM 624 HG2 LYS A 524 59.868 11.945 12.075 1.00 0.00 H ATOM 625 HG3 LYS A 524 59.682 13.714 12.043 1.00 0.00 H ATOM 626 HD2 LYS A 524 59.934 13.684 9.578 1.00 0.00 H ATOM 627 HD3 LYS A 524 60.083 11.912 9.623 1.00 0.00 H ATOM 628 HE2 LYS A 524 57.826 12.658 8.971 1.00 0.00 H ATOM 629 HE3 LYS A 524 57.668 13.504 10.529 1.00 0.00 H ATOM 630 HZ1 LYS A 524 57.999 10.577 10.165 1.00 0.00 H ATOM 631 HZ2 LYS A 524 57.848 11.384 11.652 1.00 0.00 H ATOM 632 HZ3 LYS A 524 56.553 11.381 10.552 1.00 0.00 H ATOM 633 H LYS A 524 61.944 10.427 12.176 1.00 0.00 H ATOM 634 N GLY A 525 64.486 12.892 9.938 1.00 19.04 N ATOM 635 CA GLY A 525 65.926 13.070 9.947 1.00 20.16 C ATOM 636 C GLY A 525 66.651 11.826 9.460 1.00 20.27 C ATOM 637 O GLY A 525 66.090 11.004 8.735 1.00 21.43 O ATOM 638 HA3 GLY A 525 66.248 13.291 10.965 1.00 0.00 H ATOM 639 HA2 GLY A 525 66.183 13.906 9.296 1.00 0.00 H ATOM 640 H GLY A 525 63.909 13.364 9.213 1.00 0.00 H ATOM 641 N MET A 526 67.909 11.680 9.855 1.00 20.61 N ATOM 642 CA MET A 526 68.697 10.526 9.439 1.00 19.96 C ATOM 643 C MET A 526 68.250 9.246 10.155 1.00 18.41 C ATOM 644 O MET A 526 67.977 9.258 11.357 1.00 17.92 O ATOM 645 CB MET A 526 70.181 10.798 9.710 1.00 22.05 C ATOM 646 CG MET A 526 71.102 9.610 9.522 1.00 23.75 C ATOM 647 SD MET A 526 72.832 10.074 9.743 1.00 27.39 S ATOM 648 CE MET A 526 73.598 9.202 8.370 1.00 26.94 C ATOM 649 HA MET A 526 68.541 10.372 8.371 1.00 0.00 H ATOM 650 HB2 MET A 526 70.508 11.588 9.034 1.00 0.00 H ATOM 651 HB3 MET A 526 70.278 11.140 10.740 1.00 0.00 H ATOM 652 HG2 MET A 526 70.967 9.212 8.516 1.00 0.00 H ATOM 653 HG3 MET A 526 70.845 8.843 10.252 1.00 0.00 H ATOM 654 HE1 MET A 526 73.417 8.132 8.474 1.00 0.00 H ATOM 655 HE2 MET A 526 73.169 9.555 7.432 1.00 0.00 H ATOM 656 HE3 MET A 526 74.671 9.392 8.374 1.00 0.00 H ATOM 657 H MET A 526 68.339 12.399 10.470 1.00 0.00 H ATOM 658 N TRP A 527 68.152 8.146 9.412 1.00 17.02 N ATOM 659 CA TRP A 527 67.755 6.874 10.014 1.00 15.04 C ATOM 660 C TRP A 527 68.781 5.795 9.690 1.00 14.25 C ATOM 661 O TRP A 527 69.134 5.575 8.539 1.00 13.43 O ATOM 662 CB TRP A 527 66.369 6.429 9.524 1.00 14.52 C ATOM 663 CG TRP A 527 65.865 5.178 10.201 1.00 13.55 C ATOM 664 CD1 TRP A 527 65.369 5.070 11.467 1.00 13.47 C ATOM 665 CD2 TRP A 527 65.833 3.856 9.645 1.00 12.27 C ATOM 666 NE1 TRP A 527 65.028 3.765 11.736 1.00 13.17 N ATOM 667 CE2 TRP A 527 65.303 3.000 10.634 1.00 12.00 C ATOM 668 CE3 TRP A 527 66.203 3.311 8.405 1.00 12.25 C ATOM 669 CZ2 TRP A 527 65.133 1.623 10.423 1.00 12.90 C ATOM 670 CZ3 TRP A 527 66.032 1.936 8.197 1.00 12.26 C ATOM 671 CH2 TRP A 527 65.501 1.112 9.204 1.00 11.97 C ATOM 672 HA TRP A 527 67.706 7.020 11.093 1.00 0.00 H ATOM 673 HB2 TRP A 527 65.660 7.235 9.715 1.00 0.00 H ATOM 674 HB3 TRP A 527 66.425 6.243 8.452 1.00 0.00 H ATOM 675 HE1 TRP A 527 64.627 3.416 12.630 1.00 0.00 H ATOM 676 HD1 TRP A 527 65.259 5.899 12.166 1.00 0.00 H ATOM 677 HZ2 TRP A 527 64.722 0.981 11.202 1.00 0.00 H ATOM 678 HH2 TRP A 527 65.379 0.046 9.013 1.00 0.00 H ATOM 679 HZ3 TRP A 527 66.315 1.499 7.240 1.00 0.00 H ATOM 680 HE3 TRP A 527 66.615 3.945 7.620 1.00 0.00 H ATOM 681 H TRP A 527 68.360 8.192 8.394 1.00 0.00 H ATOM 682 N ILE A 528 69.235 5.111 10.728 1.00 14.18 N ATOM 683 CA ILE A 528 70.239 4.067 10.577 1.00 14.48 C ATOM 684 C ILE A 528 69.597 2.770 11.000 1.00 13.91 C ATOM 685 O ILE A 528 69.129 2.635 12.123 1.00 13.57 O ATOM 686 CB ILE A 528 71.478 4.404 11.421 1.00 14.98 C ATOM 687 CG1 ILE A 528 72.110 5.670 10.840 1.00 15.81 C ATOM 688 CG2 ILE A 528 72.441 3.235 11.447 1.00 15.16 C ATOM 689 CD1 ILE A 528 73.438 6.030 11.377 1.00 17.91 C ATOM 690 HA ILE A 528 70.580 3.983 9.545 1.00 0.00 H ATOM 691 HB ILE A 528 71.202 4.590 12.459 1.00 0.00 H ATOM 692 HG12 ILE A 528 72.211 5.530 9.764 1.00 0.00 H ATOM 693 HG13 ILE A 528 71.433 6.502 11.035 1.00 0.00 H ATOM 694 HD11 ILE A 528 73.362 6.193 12.452 1.00 0.00 H ATOM 695 HD12 ILE A 528 74.140 5.220 11.180 1.00 0.00 H ATOM 696 HD13 ILE A 528 73.789 6.942 10.894 1.00 0.00 H ATOM 697 HG21 ILE A 528 71.944 2.366 11.880 1.00 0.00 H ATOM 698 HG22 ILE A 528 72.758 3.005 10.430 1.00 0.00 H ATOM 699 HG23 ILE A 528 73.311 3.496 12.050 1.00 0.00 H ATOM 700 H ILE A 528 68.865 5.325 11.676 1.00 0.00 H ATOM 701 N CYS A 529 69.575 1.817 10.081 1.00 13.16 N ATOM 702 CA CYS A 529 68.919 0.543 10.313 1.00 12.07 C ATOM 703 C CYS A 529 69.509 -0.330 11.413 1.00 12.63 C ATOM 704 O CYS A 529 70.664 -0.154 11.829 1.00 12.15 O ATOM 705 CB CYS A 529 68.860 -0.242 9.001 1.00 11.62 C ATOM 706 SG CYS A 529 70.283 -1.315 8.682 1.00 10.78 S ATOM 707 HA CYS A 529 67.926 0.802 10.679 1.00 0.00 H ATOM 708 HB2 CYS A 529 68.786 0.474 8.182 1.00 0.00 H ATOM 709 HB3 CYS A 529 67.965 -0.864 9.020 1.00 0.00 H ATOM 710 HG CYS A 529 71.431 -0.551 8.633 1.00 0.00 H ATOM 711 H CYS A 529 70.041 1.986 9.167 1.00 0.00 H ATOM 712 N PRO A 530 68.713 -1.286 11.908 1.00 12.79 N ATOM 713 CA PRO A 530 69.133 -2.205 12.969 1.00 14.06 C ATOM 714 C PRO A 530 70.424 -2.962 12.687 1.00 13.97 C ATOM 715 O PRO A 530 71.213 -3.223 13.606 1.00 13.13 O ATOM 716 CB PRO A 530 67.945 -3.148 13.100 1.00 13.82 C ATOM 717 CG PRO A 530 66.777 -2.256 12.754 1.00 14.27 C ATOM 718 CD PRO A 530 67.299 -1.510 11.547 1.00 13.26 C ATOM 719 HA PRO A 530 69.376 -1.662 13.882 1.00 0.00 H ATOM 720 HD3 PRO A 530 67.212 -2.111 10.642 1.00 0.00 H ATOM 721 HD2 PRO A 530 66.772 -0.566 11.407 1.00 0.00 H ATOM 722 HG3 PRO A 530 66.543 -1.574 13.571 1.00 0.00 H ATOM 723 HG2 PRO A 530 65.891 -2.841 12.506 1.00 0.00 H ATOM 724 HB2 PRO A 530 68.025 -3.981 12.402 1.00 0.00 H ATOM 725 HB3 PRO A 530 67.859 -3.534 14.116 1.00 0.00 H ATOM 726 N ARG A 531 70.641 -3.335 11.429 1.00 13.98 N ATOM 727 CA ARG A 531 71.860 -4.065 11.100 1.00 14.09 C ATOM 728 C ARG A 531 73.067 -3.140 11.157 1.00 13.83 C ATOM 729 O ARG A 531 74.145 -3.547 11.589 1.00 13.76 O ATOM 730 CB ARG A 531 71.741 -4.736 9.728 1.00 14.28 C ATOM 731 CG ARG A 531 70.698 -5.852 9.668 1.00 19.08 C ATOM 732 CD ARG A 531 70.821 -6.814 10.850 1.00 22.26 C ATOM 733 NE ARG A 531 70.152 -6.281 12.037 1.00 26.20 N ATOM 734 CZ ARG A 531 70.252 -6.794 13.260 1.00 27.33 C ATOM 735 NH1 ARG A 531 71.007 -7.867 13.484 1.00 28.87 N ATOM 736 NH2 ARG A 531 69.597 -6.230 14.269 1.00 28.94 N ATOM 737 HA ARG A 531 72.001 -4.851 11.842 1.00 0.00 H ATOM 738 HB2 ARG A 531 71.471 -3.975 8.996 1.00 0.00 H ATOM 739 HB3 ARG A 531 72.711 -5.159 9.468 1.00 0.00 H ATOM 740 HG2 ARG A 531 69.704 -5.406 9.679 1.00 0.00 H ATOM 741 HG3 ARG A 531 70.834 -6.412 8.743 1.00 0.00 H ATOM 742 HD2 ARG A 531 71.876 -6.968 11.075 1.00 0.00 H ATOM 743 HD3 ARG A 531 70.365 -7.767 10.582 1.00 0.00 H ATOM 744 HE ARG A 531 69.554 -5.439 11.915 1.00 0.00 H ATOM 745 HH12 ARG A 531 71.079 -8.261 14.444 1.00 0.00 H ATOM 746 HH11 ARG A 531 71.525 -8.311 12.699 1.00 0.00 H ATOM 747 HH22 ARG A 531 69.673 -6.629 15.226 1.00 0.00 H ATOM 748 HH21 ARG A 531 69.008 -5.389 14.101 1.00 0.00 H ATOM 749 H ARG A 531 69.948 -3.108 10.687 1.00 0.00 H ATOM 750 N CYS A 532 72.910 -1.898 10.714 1.00 13.28 N ATOM 751 CA CYS A 532 74.014 -0.952 10.795 1.00 14.17 C ATOM 752 C CYS A 532 74.339 -0.695 12.260 1.00 14.57 C ATOM 753 O CYS A 532 75.511 -0.610 12.634 1.00 14.91 O ATOM 754 CB CYS A 532 73.660 0.360 10.106 1.00 13.82 C ATOM 755 SG CYS A 532 73.854 0.286 8.318 1.00 11.94 S ATOM 756 HA CYS A 532 74.881 -1.376 10.288 1.00 0.00 H ATOM 757 HB2 CYS A 532 74.310 1.144 10.495 1.00 0.00 H ATOM 758 HB3 CYS A 532 72.622 0.604 10.334 1.00 0.00 H ATOM 759 HG CYS A 532 73.516 1.506 7.769 1.00 0.00 H ATOM 760 H CYS A 532 71.999 -1.601 10.309 1.00 0.00 H ATOM 761 N GLN A 533 73.311 -0.555 13.091 1.00 14.55 N ATOM 762 CA GLN A 533 73.530 -0.334 14.524 1.00 15.08 C ATOM 763 C GLN A 533 74.298 -1.524 15.111 1.00 16.29 C ATOM 764 O GLN A 533 75.220 -1.348 15.910 1.00 15.82 O ATOM 765 CB GLN A 533 72.196 -0.183 15.254 1.00 15.89 C ATOM 766 CG GLN A 533 71.500 1.153 15.076 1.00 17.83 C ATOM 767 CD GLN A 533 70.117 1.144 15.678 1.00 19.30 C ATOM 768 OE1 GLN A 533 69.934 0.746 16.832 1.00 21.32 O ATOM 769 NE2 GLN A 533 69.128 1.580 14.903 1.00 21.25 N ATOM 770 HA GLN A 533 74.107 0.582 14.653 1.00 0.00 H ATOM 771 HB2 GLN A 533 71.525 -0.962 14.892 1.00 0.00 H ATOM 772 HB3 GLN A 533 72.378 -0.328 16.319 1.00 0.00 H ATOM 773 HG2 GLN A 533 72.092 1.928 15.562 1.00 0.00 H ATOM 774 HG3 GLN A 533 71.421 1.372 14.011 1.00 0.00 H ATOM 775 HE22 GLN A 533 69.330 1.906 13.936 1.00 0.00 H ATOM 776 HE21 GLN A 533 68.153 1.595 15.264 1.00 0.00 H ATOM 777 H GLN A 533 72.340 -0.603 12.721 1.00 0.00 H ATOM 778 N ASP A 534 73.913 -2.735 14.717 1.00 16.06 N ATOM 779 CA ASP A 534 74.574 -3.947 15.203 1.00 17.85 C ATOM 780 C ASP A 534 76.051 -3.912 14.818 1.00 17.33 C ATOM 781 O ASP A 534 76.931 -4.275 15.614 1.00 16.91 O ATOM 782 CB ASP A 534 73.918 -5.188 14.588 1.00 20.27 C ATOM 783 CG ASP A 534 74.376 -6.471 15.241 1.00 23.36 C ATOM 784 OD1 ASP A 534 74.763 -7.402 14.510 1.00 25.35 O ATOM 785 OD2 ASP A 534 74.340 -6.550 16.487 1.00 26.01 O ATOM 786 HA ASP A 534 74.477 -3.992 16.288 1.00 0.00 H ATOM 787 HB2 ASP A 534 72.837 -5.105 14.702 1.00 0.00 H ATOM 788 HB3 ASP A 534 74.169 -5.227 13.528 1.00 0.00 H ATOM 789 H ASP A 534 73.123 -2.823 14.047 1.00 0.00 H ATOM 790 N GLN A 535 76.318 -3.485 13.589 1.00 17.93 N ATOM 791 CA GLN A 535 77.681 -3.385 13.083 1.00 18.48 C ATOM 792 C GLN A 535 78.479 -2.458 13.991 1.00 17.88 C ATOM 793 O GLN A 535 79.579 -2.799 14.437 1.00 17.49 O ATOM 794 CB GLN A 535 77.674 -2.833 11.654 1.00 20.31 C ATOM 795 CG GLN A 535 79.051 -2.707 11.030 1.00 24.58 C ATOM 796 CD GLN A 535 79.782 -4.033 10.963 1.00 25.98 C ATOM 797 OE1 GLN A 535 79.298 -4.992 10.357 1.00 28.39 O ATOM 798 NE2 GLN A 535 80.957 -4.094 11.581 1.00 28.04 N ATOM 799 HA GLN A 535 78.138 -4.374 13.072 1.00 0.00 H ATOM 800 HB2 GLN A 535 77.076 -3.500 11.032 1.00 0.00 H ATOM 801 HB3 GLN A 535 77.214 -1.845 11.671 1.00 0.00 H ATOM 802 HG2 GLN A 535 78.942 -2.316 10.018 1.00 0.00 H ATOM 803 HG3 GLN A 535 79.642 -2.011 11.625 1.00 0.00 H ATOM 804 HE22 GLN A 535 81.326 -3.259 12.080 1.00 0.00 H ATOM 805 HE21 GLN A 535 81.507 -4.976 11.566 1.00 0.00 H ATOM 806 H GLN A 535 75.529 -3.213 12.968 1.00 0.00 H ATOM 807 N MET A 536 77.912 -1.293 14.276 1.00 17.07 N ATOM 808 CA MET A 536 78.564 -0.313 15.136 1.00 17.80 C ATOM 809 C MET A 536 78.746 -0.801 16.567 1.00 18.49 C ATOM 810 O MET A 536 79.747 -0.485 17.209 1.00 17.94 O ATOM 811 CB MET A 536 77.780 1.000 15.113 1.00 16.71 C ATOM 812 CG MET A 536 77.818 1.669 13.741 1.00 16.25 C ATOM 813 SD MET A 536 77.238 3.372 13.738 1.00 18.79 S ATOM 814 CE MET A 536 75.540 3.095 13.756 1.00 15.93 C ATOM 815 HA MET A 536 79.566 -0.153 14.737 1.00 0.00 H ATOM 816 HB2 MET A 536 76.742 0.794 15.375 1.00 0.00 H ATOM 817 HB3 MET A 536 78.211 1.680 15.848 1.00 0.00 H ATOM 818 HG2 MET A 536 77.191 1.092 13.061 1.00 0.00 H ATOM 819 HG3 MET A 536 78.847 1.657 13.382 1.00 0.00 H ATOM 820 HE1 MET A 536 75.257 2.525 12.871 1.00 0.00 H ATOM 821 HE2 MET A 536 75.274 2.534 14.652 1.00 0.00 H ATOM 822 HE3 MET A 536 75.017 4.051 13.756 1.00 0.00 H ATOM 823 H MET A 536 76.978 -1.073 13.875 1.00 0.00 H ATOM 824 N LEU A 537 77.785 -1.572 17.066 1.00 19.29 N ATOM 825 CA LEU A 537 77.857 -2.102 18.424 1.00 20.62 C ATOM 826 C LEU A 537 78.918 -3.198 18.511 1.00 21.14 C ATOM 827 O LEU A 537 79.604 -3.328 19.524 1.00 21.25 O ATOM 828 CB LEU A 537 76.496 -2.665 18.850 1.00 20.82 C ATOM 829 CG LEU A 537 76.353 -3.074 20.320 1.00 21.03 C ATOM 830 CD1 LEU A 537 76.444 -1.842 21.207 1.00 20.76 C ATOM 831 CD2 LEU A 537 75.020 -3.776 20.532 1.00 21.33 C ATOM 832 HA LEU A 537 78.131 -1.288 19.096 1.00 0.00 H ATOM 833 HB2 LEU A 537 75.744 -1.904 18.643 1.00 0.00 H ATOM 834 HB3 LEU A 537 76.297 -3.546 18.240 1.00 0.00 H ATOM 835 HG LEU A 537 77.158 -3.760 20.584 1.00 0.00 H ATOM 836 HD21 LEU A 537 74.208 -3.100 20.265 1.00 0.00 H ATOM 837 HD22 LEU A 537 74.975 -4.666 19.904 1.00 0.00 H ATOM 838 HD23 LEU A 537 74.925 -4.064 21.579 1.00 0.00 H ATOM 839 HD11 LEU A 537 77.410 -1.359 21.058 1.00 0.00 H ATOM 840 HD12 LEU A 537 75.645 -1.148 20.945 1.00 0.00 H ATOM 841 HD13 LEU A 537 76.342 -2.139 22.251 1.00 0.00 H ATOM 842 H LEU A 537 76.962 -1.803 16.474 1.00 0.00 H ATOM 843 N LYS A 538 79.042 -3.988 17.447 1.00 22.32 N ATOM 844 CA LYS A 538 80.024 -5.066 17.402 1.00 24.12 C ATOM 845 C LYS A 538 81.434 -4.514 17.509 1.00 25.24 C ATOM 846 O LYS A 538 82.283 -5.087 18.193 1.00 26.19 O ATOM 847 CB LYS A 538 79.891 -5.867 16.105 1.00 24.57 C ATOM 848 CG LYS A 538 78.714 -6.822 16.079 1.00 25.85 C ATOM 849 CD LYS A 538 78.658 -7.578 14.761 1.00 26.72 C ATOM 850 CE LYS A 538 77.549 -8.613 14.770 1.00 27.53 C ATOM 851 NZ LYS A 538 77.394 -9.278 13.450 1.00 28.18 N ATOM 852 HA LYS A 538 79.832 -5.724 18.250 1.00 0.00 H ATOM 853 HB2 LYS A 538 79.779 -5.164 15.279 1.00 0.00 H ATOM 854 HB3 LYS A 538 80.804 -6.446 15.966 1.00 0.00 H ATOM 855 HG2 LYS A 538 78.815 -7.536 16.896 1.00 0.00 H ATOM 856 HG3 LYS A 538 77.791 -6.255 16.205 1.00 0.00 H ATOM 857 HD2 LYS A 538 78.478 -6.870 13.952 1.00 0.00 H ATOM 858 HD3 LYS A 538 79.612 -8.080 14.597 1.00 0.00 H ATOM 859 HE2 LYS A 538 76.611 -8.121 15.028 1.00 0.00 H ATOM 860 HE3 LYS A 538 77.780 -9.369 15.520 1.00 0.00 H ATOM 861 HZ1 LYS A 538 77.166 -8.565 12.728 1.00 0.00 H ATOM 862 HZ2 LYS A 538 78.282 -9.756 13.198 1.00 0.00 H ATOM 863 HZ3 LYS A 538 76.625 -9.977 13.503 1.00 0.00 H ATOM 864 H LYS A 538 78.423 -3.833 16.626 1.00 0.00 H ATOM 865 N LYS A 539 81.693 -3.399 16.838 1.00 26.83 N ATOM 866 CA LYS A 539 83.021 -2.806 16.889 1.00 27.58 C ATOM 867 C LYS A 539 83.194 -2.052 18.201 1.00 28.05 C ATOM 868 O LYS A 539 84.290 -1.602 18.530 1.00 28.15 O ATOM 869 CB LYS A 539 83.245 -1.858 15.703 1.00 27.98 C ATOM 870 CG LYS A 539 82.550 -0.522 15.817 1.00 28.52 C ATOM 871 CD LYS A 539 83.128 0.468 14.812 1.00 29.74 C ATOM 872 CE LYS A 539 82.783 1.889 15.202 1.00 29.65 C ATOM 873 NZ LYS A 539 83.370 2.912 14.292 1.00 30.38 N ATOM 874 HA LYS A 539 83.760 -3.605 16.828 1.00 0.00 H ATOM 875 HB2 LYS A 539 84.316 -1.676 15.612 1.00 0.00 H ATOM 876 HB3 LYS A 539 82.884 -2.352 14.801 1.00 0.00 H ATOM 877 HG2 LYS A 539 81.486 -0.653 15.621 1.00 0.00 H ATOM 878 HG3 LYS A 539 82.687 -0.131 16.825 1.00 0.00 H ATOM 879 HD2 LYS A 539 84.212 0.358 14.783 1.00 0.00 H ATOM 880 HD3 LYS A 539 82.716 0.258 13.825 1.00 0.00 H ATOM 881 HE2 LYS A 539 83.154 2.070 16.211 1.00 0.00 H ATOM 882 HE3 LYS A 539 81.698 1.997 15.190 1.00 0.00 H ATOM 883 HZ1 LYS A 539 84.407 2.828 14.301 1.00 0.00 H ATOM 884 HZ2 LYS A 539 83.017 2.758 13.326 1.00 0.00 H ATOM 885 HZ3 LYS A 539 83.095 3.861 14.616 1.00 0.00 H ATOM 886 H LYS A 539 80.945 -2.948 16.274 1.00 0.00 H ATOM 887 N GLU A 540 82.101 -1.933 18.950 1.00 28.56 N ATOM 888 CA GLU A 540 82.102 -1.250 20.239 1.00 28.82 C ATOM 889 C GLU A 540 82.683 -2.152 21.317 1.00 29.39 C ATOM 890 O GLU A 540 83.400 -1.688 22.210 1.00 29.96 O ATOM 891 CB GLU A 540 80.676 -0.856 20.620 1.00 28.44 C ATOM 892 CG GLU A 540 80.539 -0.222 21.992 1.00 27.66 C ATOM 893 CD GLU A 540 81.366 1.033 22.123 1.00 27.08 C ATOM 894 OE1 GLU A 540 81.452 1.786 21.126 1.00 26.78 O ATOM 895 OE2 GLU A 540 81.917 1.276 23.220 1.00 26.61 O ATOM 896 HA GLU A 540 82.718 -0.354 20.156 1.00 0.00 H ATOM 897 HB2 GLU A 540 80.310 -0.145 19.879 1.00 0.00 H ATOM 898 HB3 GLU A 540 80.058 -1.753 20.597 1.00 0.00 H ATOM 899 HG2 GLU A 540 79.492 0.028 22.161 1.00 0.00 H ATOM 900 HG3 GLU A 540 80.866 -0.939 22.745 1.00 0.00 H ATOM 901 H GLU A 540 81.211 -2.343 18.603 1.00 0.00 H ATOM 902 N GLU A 541 82.365 -3.441 21.232 1.00 30.16 N ATOM 903 CA GLU A 541 82.861 -4.418 22.193 1.00 30.61 C ATOM 904 C GLU A 541 84.296 -4.773 21.824 1.00 31.05 C ATOM 905 O GLU A 541 84.937 -5.596 22.482 1.00 31.46 O ATOM 906 CB GLU A 541 81.987 -5.669 22.175 1.00 30.70 C ATOM 907 HA GLU A 541 82.829 -3.997 23.198 1.00 0.00 H ATOM 908 HB2 GLU A 541 80.964 -5.400 22.436 1.00 0.00 H ATOM 909 HB3 GLU A 541 82.005 -6.109 21.178 1.00 0.00 H ATOM 910 H GLU A 541 81.746 -3.760 20.459 1.00 0.00 H ATOM 911 N ALA A 542 84.793 -4.144 20.762 1.00 31.29 N ATOM 912 CA ALA A 542 86.151 -4.379 20.292 1.00 31.20 C ATOM 913 C ALA A 542 87.023 -3.142 20.504 1.00 31.58 C ATOM 914 O ALA A 542 88.068 -3.214 21.153 1.00 31.97 O ATOM 915 CB ALA A 542 86.133 -4.764 18.813 1.00 30.84 C ATOM 916 HA ALA A 542 86.577 -5.199 20.869 1.00 0.00 H ATOM 917 HB1 ALA A 542 85.545 -5.673 18.683 1.00 0.00 H ATOM 918 HB2 ALA A 542 85.687 -3.955 18.234 1.00 0.00 H ATOM 919 HB3 ALA A 542 87.154 -4.938 18.472 1.00 0.00 H ATOM 920 H ALA A 542 84.193 -3.464 20.252 1.00 0.00 H ATOM 921 N ILE A 543 86.589 -2.010 19.954 1.00 31.70 N ATOM 922 CA ILE A 543 87.332 -0.757 20.079 1.00 32.27 C ATOM 923 C ILE A 543 87.714 -0.481 21.530 1.00 32.13 C ATOM 924 O ILE A 543 88.890 -0.133 21.778 1.00 32.75 O ATOM 925 CB ILE A 543 86.507 0.400 19.526 1.00 31.49 C ATOM 926 HA ILE A 543 88.251 -0.852 19.500 1.00 0.00 H ATOM 927 OXT ILE A 543 86.829 -0.609 22.402 1.00 33.32 O ATOM 928 HB ILE A 543 86.287 0.218 18.474 1.00 0.00 H ATOM 929 H ILE A 543 85.696 -2.017 19.420 1.00 0.00 H TER 930 ILE A 543 ATOM 931 N HIS B 484 76.452 -5.193 34.349 1.00 24.58 N ATOM 932 CA HIS B 484 75.653 -4.388 35.317 1.00 23.77 C ATOM 933 C HIS B 484 75.473 -2.971 34.779 1.00 22.76 C ATOM 934 O HIS B 484 76.171 -2.555 33.850 1.00 24.14 O ATOM 935 CB HIS B 484 76.375 -4.327 36.665 1.00 25.17 C ATOM 936 CG HIS B 484 76.878 -5.655 37.138 1.00 25.72 C ATOM 937 ND1 HIS B 484 76.060 -6.604 37.711 1.00 27.33 N ATOM 938 CD2 HIS B 484 78.120 -6.196 37.114 1.00 26.35 C ATOM 939 CE1 HIS B 484 76.775 -7.671 38.023 1.00 26.96 C ATOM 940 NE2 HIS B 484 78.029 -7.448 37.670 1.00 27.28 N ATOM 941 HA HIS B 484 74.678 -4.857 35.449 1.00 0.00 H ATOM 942 HB2 HIS B 484 77.224 -3.651 36.571 1.00 0.00 H ATOM 943 HB3 HIS B 484 75.682 -3.936 37.410 1.00 0.00 H ATOM 944 HD2 HIS B 484 79.023 -5.725 36.726 1.00 0.00 H ATOM 945 HE1 HIS B 484 76.395 -8.579 38.491 1.00 0.00 H ATOM 946 HN3 HIS B 484 77.384 -4.751 34.219 1.00 0.00 H ATOM 947 HN2 HIS B 484 75.954 -5.230 33.437 1.00 0.00 H ATOM 948 HN1 HIS B 484 76.573 -6.158 34.719 1.00 0.00 H ATOM 949 N MET B 485 74.523 -2.241 35.358 1.00 20.51 N ATOM 950 CA MET B 485 74.252 -0.862 34.960 1.00 19.59 C ATOM 951 C MET B 485 73.460 -0.126 36.033 1.00 17.62 C ATOM 952 O MET B 485 72.569 -0.689 36.675 1.00 18.42 O ATOM 953 CB MET B 485 73.458 -0.811 33.646 1.00 21.63 C ATOM 954 CG MET B 485 73.228 0.599 33.104 1.00 23.57 C ATOM 955 SD MET B 485 74.596 1.258 32.126 1.00 26.22 S ATOM 956 CE MET B 485 74.213 0.440 30.558 1.00 25.84 C ATOM 957 HA MET B 485 75.218 -0.377 34.822 1.00 0.00 H ATOM 958 HB2 MET B 485 74.004 -1.381 32.894 1.00 0.00 H ATOM 959 HB3 MET B 485 72.486 -1.274 33.816 1.00 0.00 H ATOM 960 HG2 MET B 485 73.061 1.266 33.950 1.00 0.00 H ATOM 961 HG3 MET B 485 72.337 0.581 32.476 1.00 0.00 H ATOM 962 HE1 MET B 485 74.232 -0.641 30.699 1.00 0.00 H ATOM 963 HE2 MET B 485 73.222 0.747 30.222 1.00 0.00 H ATOM 964 HE3 MET B 485 74.955 0.723 29.811 1.00 0.00 H ATOM 965 H MET B 485 73.955 -2.666 36.119 1.00 0.00 H ATOM 966 N ILE B 486 73.802 1.134 36.246 1.00 14.47 N ATOM 967 CA ILE B 486 73.092 1.960 37.206 1.00 13.96 C ATOM 968 C ILE B 486 72.347 3.005 36.388 1.00 13.88 C ATOM 969 O ILE B 486 72.959 3.918 35.813 1.00 15.58 O ATOM 970 CB ILE B 486 74.071 2.644 38.168 1.00 13.95 C ATOM 971 CG1 ILE B 486 74.760 1.586 39.030 1.00 14.51 C ATOM 972 CG2 ILE B 486 73.340 3.651 39.040 1.00 16.00 C ATOM 973 CD1 ILE B 486 75.912 2.138 39.856 1.00 14.99 C ATOM 974 HA ILE B 486 72.414 1.361 37.813 1.00 0.00 H ATOM 975 HB ILE B 486 74.825 3.180 37.592 1.00 0.00 H ATOM 976 HG12 ILE B 486 74.022 1.158 39.708 1.00 0.00 H ATOM 977 HG13 ILE B 486 75.147 0.805 38.376 1.00 0.00 H ATOM 978 HD11 ILE B 486 76.665 2.561 39.191 1.00 0.00 H ATOM 979 HD12 ILE B 486 75.539 2.914 40.524 1.00 0.00 H ATOM 980 HD13 ILE B 486 76.355 1.333 40.443 1.00 0.00 H ATOM 981 HG21 ILE B 486 72.876 4.408 38.408 1.00 0.00 H ATOM 982 HG22 ILE B 486 72.572 3.138 39.619 1.00 0.00 H ATOM 983 HG23 ILE B 486 74.050 4.127 39.716 1.00 0.00 H ATOM 984 H ILE B 486 74.597 1.542 35.714 1.00 0.00 H ATOM 985 N HIS B 487 71.027 2.863 36.317 1.00 12.13 N ATOM 986 CA HIS B 487 70.231 3.798 35.537 1.00 12.30 C ATOM 987 C HIS B 487 69.760 5.000 36.327 1.00 12.38 C ATOM 988 O HIS B 487 69.553 4.925 37.534 1.00 13.26 O ATOM 989 CB HIS B 487 69.019 3.106 34.917 1.00 11.04 C ATOM 990 CG HIS B 487 69.344 2.315 33.688 1.00 11.18 C ATOM 991 ND1 HIS B 487 69.679 0.979 33.728 1.00 11.88 N ATOM 992 CD2 HIS B 487 69.401 2.680 32.384 1.00 11.77 C ATOM 993 CE1 HIS B 487 69.926 0.553 32.500 1.00 11.21 C ATOM 994 NE2 HIS B 487 69.764 1.565 31.666 1.00 11.32 N ATOM 995 HA HIS B 487 70.899 4.160 34.755 1.00 0.00 H ATOM 996 HB2 HIS B 487 68.591 2.431 35.658 1.00 0.00 H ATOM 997 HB3 HIS B 487 68.285 3.867 34.653 1.00 0.00 H ATOM 998 HD2 HIS B 487 69.197 3.672 31.980 1.00 0.00 H ATOM 999 HE1 HIS B 487 70.214 -0.461 32.223 1.00 0.00 H ATOM 1000 H HIS B 487 70.562 2.081 36.821 1.00 0.00 H ATOM 1001 N GLU B 488 69.613 6.119 35.635 1.00 12.08 N ATOM 1002 CA GLU B 488 69.137 7.340 36.266 1.00 12.11 C ATOM 1003 C GLU B 488 67.665 7.193 36.672 1.00 11.03 C ATOM 1004 O GLU B 488 66.985 6.263 36.231 1.00 10.52 O ATOM 1005 CB GLU B 488 69.333 8.528 35.315 1.00 12.24 C ATOM 1006 CG GLU B 488 70.810 8.752 34.933 1.00 15.65 C ATOM 1007 CD GLU B 488 71.059 10.067 34.228 1.00 18.23 C ATOM 1008 OE1 GLU B 488 70.336 10.383 33.271 1.00 19.41 O ATOM 1009 OE2 GLU B 488 71.998 10.796 34.629 1.00 21.56 O ATOM 1010 HA GLU B 488 69.716 7.525 37.171 1.00 0.00 H ATOM 1011 HB2 GLU B 488 68.762 8.344 34.405 1.00 0.00 H ATOM 1012 HB3 GLU B 488 68.958 9.429 35.801 1.00 0.00 H ATOM 1013 HG2 GLU B 488 71.409 8.730 35.843 1.00 0.00 H ATOM 1014 HG3 GLU B 488 71.123 7.942 34.274 1.00 0.00 H ATOM 1015 H GLU B 488 69.842 6.125 34.621 1.00 0.00 H ATOM 1016 N ASP B 489 67.199 8.110 37.518 1.00 11.16 N ATOM 1017 CA ASP B 489 65.833 8.106 38.035 1.00 12.57 C ATOM 1018 C ASP B 489 64.944 9.162 37.418 1.00 12.41 C ATOM 1019 O ASP B 489 63.774 9.260 37.785 1.00 12.99 O ATOM 1020 CB ASP B 489 65.833 8.333 39.550 1.00 13.55 C ATOM 1021 CG ASP B 489 66.067 7.070 40.341 1.00 17.29 C ATOM 1022 OD1 ASP B 489 66.162 5.976 39.739 1.00 19.73 O ATOM 1023 OD2 ASP B 489 66.152 7.185 41.589 1.00 18.54 O ATOM 1024 HA ASP B 489 65.433 7.127 37.773 1.00 0.00 H ATOM 1025 HB2 ASP B 489 66.621 9.046 39.794 1.00 0.00 H ATOM 1026 HB3 ASP B 489 64.867 8.749 39.838 1.00 0.00 H ATOM 1027 H ASP B 489 67.841 8.868 37.826 1.00 0.00 H ATOM 1028 N PHE B 490 65.490 9.962 36.511 1.00 10.91 N ATOM 1029 CA PHE B 490 64.719 11.021 35.873 1.00 11.16 C ATOM 1030 C PHE B 490 64.912 10.940 34.361 1.00 9.66 C ATOM 1031 O PHE B 490 65.997 10.625 33.884 1.00 12.04 O ATOM 1032 CB PHE B 490 65.187 12.410 36.347 1.00 12.81 C ATOM 1033 CG PHE B 490 64.957 12.686 37.814 1.00 14.62 C ATOM 1034 CD1 PHE B 490 65.971 12.504 38.749 1.00 15.70 C ATOM 1035 CD2 PHE B 490 63.723 13.143 38.249 1.00 14.48 C ATOM 1036 CE1 PHE B 490 65.754 12.774 40.104 1.00 15.67 C ATOM 1037 CE2 PHE B 490 63.493 13.416 39.602 1.00 15.11 C ATOM 1038 CZ PHE B 490 64.511 13.232 40.529 1.00 15.56 C ATOM 1039 HA PHE B 490 63.671 10.888 36.141 1.00 0.00 H ATOM 1040 HB2 PHE B 490 66.255 12.495 36.149 1.00 0.00 H ATOM 1041 HB3 PHE B 490 64.651 13.164 35.771 1.00 0.00 H ATOM 1042 HD2 PHE B 490 62.920 13.292 37.527 1.00 0.00 H ATOM 1043 HE2 PHE B 490 62.516 13.773 39.928 1.00 0.00 H ATOM 1044 HZ PHE B 490 64.337 13.445 41.584 1.00 0.00 H ATOM 1045 HE1 PHE B 490 66.557 12.626 40.826 1.00 0.00 H ATOM 1046 HD1 PHE B 490 66.947 12.146 38.421 1.00 0.00 H ATOM 1047 H PHE B 490 66.488 9.830 36.250 1.00 0.00 H ATOM 1048 N CYS B 491 63.856 11.231 33.617 1.00 8.36 N ATOM 1049 CA CYS B 491 63.866 11.220 32.156 1.00 7.23 C ATOM 1050 C CYS B 491 64.904 12.188 31.598 1.00 8.04 C ATOM 1051 O CYS B 491 64.994 13.339 32.042 1.00 9.33 O ATOM 1052 CB CYS B 491 62.453 11.576 31.666 1.00 7.81 C ATOM 1053 SG CYS B 491 62.268 11.792 29.858 1.00 7.47 S ATOM 1054 HA CYS B 491 64.144 10.229 31.798 1.00 0.00 H ATOM 1055 HB2 CYS B 491 62.157 12.509 32.147 1.00 0.00 H ATOM 1056 HB3 CYS B 491 61.779 10.778 31.978 1.00 0.00 H ATOM 1057 HG CYS B 491 60.957 12.107 29.566 1.00 0.00 H ATOM 1058 H CYS B 491 62.970 11.481 34.100 1.00 0.00 H ATOM 1059 N SER B 492 65.682 11.725 30.626 1.00 7.77 N ATOM 1060 CA SER B 492 66.711 12.582 30.031 1.00 9.51 C ATOM 1061 C SER B 492 66.160 13.797 29.309 1.00 10.98 C ATOM 1062 O SER B 492 66.850 14.802 29.157 1.00 12.40 O ATOM 1063 CB SER B 492 67.578 11.777 29.069 1.00 11.34 C ATOM 1064 OG SER B 492 68.620 11.126 29.760 1.00 13.29 O ATOM 1065 HA SER B 492 67.304 12.954 30.867 1.00 0.00 H ATOM 1066 HB2 SER B 492 68.007 12.449 28.326 1.00 0.00 H ATOM 1067 HB3 SER B 492 66.960 11.031 28.569 1.00 0.00 H ATOM 1068 HG SER B 492 68.234 10.511 30.434 1.00 0.00 H ATOM 1069 H SER B 492 65.560 10.750 30.286 1.00 0.00 H ATOM 1070 N VAL B 493 64.912 13.726 28.868 1.00 9.80 N ATOM 1071 CA VAL B 493 64.328 14.868 28.175 1.00 10.55 C ATOM 1072 C VAL B 493 63.694 15.890 29.125 1.00 10.60 C ATOM 1073 O VAL B 493 64.082 17.062 29.151 1.00 11.08 O ATOM 1074 CB VAL B 493 63.279 14.388 27.132 1.00 10.25 C ATOM 1075 CG1 VAL B 493 62.540 15.566 26.539 1.00 10.87 C ATOM 1076 CG2 VAL B 493 63.975 13.595 26.027 1.00 10.93 C ATOM 1077 HA VAL B 493 65.149 15.375 27.668 1.00 0.00 H ATOM 1078 HB VAL B 493 62.555 13.746 27.634 1.00 0.00 H ATOM 1079 HG11 VAL B 493 62.027 16.108 27.333 1.00 0.00 H ATOM 1080 HG12 VAL B 493 63.251 16.229 26.046 1.00 0.00 H ATOM 1081 HG13 VAL B 493 61.811 15.208 25.812 1.00 0.00 H ATOM 1082 HG21 VAL B 493 64.711 14.230 25.534 1.00 0.00 H ATOM 1083 HG22 VAL B 493 64.474 12.729 26.462 1.00 0.00 H ATOM 1084 HG23 VAL B 493 63.235 13.262 25.300 1.00 0.00 H ATOM 1085 H VAL B 493 64.353 12.861 29.015 1.00 0.00 H ATOM 1086 N CYS B 494 62.754 15.442 29.947 1.00 9.31 N ATOM 1087 CA CYS B 494 62.040 16.352 30.830 1.00 9.60 C ATOM 1088 C CYS B 494 62.509 16.433 32.266 1.00 11.11 C ATOM 1089 O CYS B 494 62.059 17.301 33.003 1.00 10.32 O ATOM 1090 CB CYS B 494 60.547 16.004 30.817 1.00 8.62 C ATOM 1091 SG CYS B 494 60.155 14.411 31.599 1.00 8.24 S ATOM 1092 HA CYS B 494 62.254 17.338 30.418 1.00 0.00 H ATOM 1093 HB2 CYS B 494 60.211 15.970 29.781 1.00 0.00 H ATOM 1094 HB3 CYS B 494 60.007 16.789 31.347 1.00 0.00 H ATOM 1095 HG CYS B 494 60.817 13.399 30.934 1.00 0.00 H ATOM 1096 H CYS B 494 62.525 14.428 29.960 1.00 0.00 H ATOM 1097 N ARG B 495 63.382 15.512 32.661 1.00 10.66 N ATOM 1098 CA ARG B 495 63.929 15.441 34.005 1.00 11.94 C ATOM 1099 C ARG B 495 62.895 15.147 35.092 1.00 11.84 C ATOM 1100 O ARG B 495 63.061 15.552 36.241 1.00 12.66 O ATOM 1101 CB ARG B 495 64.721 16.716 34.347 1.00 14.01 C ATOM 1102 CG ARG B 495 65.891 16.978 33.401 1.00 18.86 C ATOM 1103 CD ARG B 495 66.825 15.788 33.309 1.00 21.58 C ATOM 1104 NE ARG B 495 67.772 15.930 32.204 1.00 25.43 N ATOM 1105 CZ ARG B 495 68.580 14.961 31.787 1.00 25.83 C ATOM 1106 NH1 ARG B 495 68.558 13.777 32.384 1.00 27.56 N ATOM 1107 NH2 ARG B 495 69.403 15.172 30.769 1.00 27.08 N ATOM 1108 HA ARG B 495 64.603 14.584 33.995 1.00 0.00 H ATOM 1109 HB2 ARG B 495 64.042 17.567 34.300 1.00 0.00 H ATOM 1110 HB3 ARG B 495 65.111 16.619 35.360 1.00 0.00 H ATOM 1111 HG2 ARG B 495 65.499 17.195 32.408 1.00 0.00 H ATOM 1112 HG3 ARG B 495 66.452 17.839 33.765 1.00 0.00 H ATOM 1113 HD2 ARG B 495 66.234 14.885 33.155 1.00 0.00 H ATOM 1114 HD3 ARG B 495 67.381 15.701 34.243 1.00 0.00 H ATOM 1115 HE ARG B 495 67.816 16.846 31.714 1.00 0.00 H ATOM 1116 HH12 ARG B 495 69.190 13.018 32.058 1.00 0.00 H ATOM 1117 HH11 ARG B 495 67.908 13.607 33.178 1.00 0.00 H ATOM 1118 HH22 ARG B 495 70.034 14.412 30.445 1.00 0.00 H ATOM 1119 HH21 ARG B 495 69.417 16.098 30.295 1.00 0.00 H ATOM 1120 H ARG B 495 63.691 14.801 31.968 1.00 0.00 H ATOM 1121 N LYS B 496 61.836 14.431 34.724 1.00 10.75 N ATOM 1122 CA LYS B 496 60.811 14.017 35.690 1.00 9.33 C ATOM 1123 C LYS B 496 60.855 12.494 35.765 1.00 7.97 C ATOM 1124 O LYS B 496 61.323 11.832 34.837 1.00 9.24 O ATOM 1125 CB LYS B 496 59.401 14.422 35.246 1.00 10.99 C ATOM 1126 CG LYS B 496 59.235 15.878 34.821 1.00 13.53 C ATOM 1127 CD LYS B 496 59.349 16.810 35.996 1.00 14.22 C ATOM 1128 CE LYS B 496 58.941 18.234 35.612 1.00 15.48 C ATOM 1129 NZ LYS B 496 59.126 19.147 36.749 1.00 16.94 N ATOM 1130 HA LYS B 496 61.016 14.498 36.646 1.00 0.00 H ATOM 1131 HB2 LYS B 496 59.121 13.792 34.401 1.00 0.00 H ATOM 1132 HB3 LYS B 496 58.721 14.236 36.077 1.00 0.00 H ATOM 1133 HG2 LYS B 496 60.009 16.126 34.095 1.00 0.00 H ATOM 1134 HG3 LYS B 496 58.254 16.004 34.362 1.00 0.00 H ATOM 1135 HD2 LYS B 496 58.698 16.456 36.796 1.00 0.00 H ATOM 1136 HD3 LYS B 496 60.381 16.817 36.346 1.00 0.00 H ATOM 1137 HE2 LYS B 496 57.892 18.239 35.314 1.00 0.00 H ATOM 1138 HE3 LYS B 496 59.556 18.571 34.777 1.00 0.00 H ATOM 1139 HZ1 LYS B 496 58.538 18.830 37.546 1.00 0.00 H ATOM 1140 HZ2 LYS B 496 60.126 19.147 37.033 1.00 0.00 H ATOM 1141 HZ3 LYS B 496 58.844 20.108 36.470 1.00 0.00 H ATOM 1142 H LYS B 496 61.731 14.157 33.726 1.00 0.00 H ATOM 1143 N SER B 497 60.362 11.934 36.868 1.00 8.49 N ATOM 1144 CA SER B 497 60.332 10.487 37.013 1.00 7.95 C ATOM 1145 C SER B 497 58.968 9.926 36.568 1.00 8.81 C ATOM 1146 O SER B 497 58.157 10.644 35.962 1.00 9.60 O ATOM 1147 CB SER B 497 60.658 10.090 38.463 1.00 8.70 C ATOM 1148 OG SER B 497 59.724 10.617 39.406 1.00 10.16 O ATOM 1149 HA SER B 497 61.094 10.052 36.366 1.00 0.00 H ATOM 1150 HB2 SER B 497 61.652 10.463 38.711 1.00 0.00 H ATOM 1151 HB3 SER B 497 60.651 9.002 38.536 1.00 0.00 H ATOM 1152 HG SER B 497 59.981 10.331 40.318 1.00 0.00 H ATOM 1153 H SER B 497 59.995 12.536 37.632 1.00 0.00 H ATOM 1154 N GLY B 498 58.743 8.642 36.841 1.00 8.53 N ATOM 1155 CA GLY B 498 57.506 7.963 36.490 1.00 9.84 C ATOM 1156 C GLY B 498 57.842 6.635 35.832 1.00 9.49 C ATOM 1157 O GLY B 498 58.704 5.912 36.310 1.00 8.97 O ATOM 1158 HA3 GLY B 498 56.933 8.580 35.798 1.00 0.00 H ATOM 1159 HA2 GLY B 498 56.917 7.787 37.390 1.00 0.00 H ATOM 1160 H GLY B 498 59.486 8.100 37.327 1.00 0.00 H ATOM 1161 N GLN B 499 57.147 6.304 34.749 1.00 9.14 N ATOM 1162 CA GLN B 499 57.422 5.081 33.988 1.00 8.16 C ATOM 1163 C GLN B 499 58.576 5.444 33.060 1.00 8.47 C ATOM 1164 O GLN B 499 58.427 6.291 32.168 1.00 8.81 O ATOM 1165 CB GLN B 499 56.204 4.675 33.169 1.00 9.42 C ATOM 1166 CG GLN B 499 56.455 3.506 32.238 1.00 10.17 C ATOM 1167 CD GLN B 499 55.301 3.322 31.289 1.00 11.93 C ATOM 1168 OE1 GLN B 499 54.933 4.244 30.560 1.00 13.27 O ATOM 1169 NE2 GLN B 499 54.722 2.138 31.285 1.00 13.19 N ATOM 1170 HA GLN B 499 57.662 4.242 34.641 1.00 0.00 H ATOM 1171 HB2 GLN B 499 55.403 4.402 33.856 1.00 0.00 H ATOM 1172 HB3 GLN B 499 55.891 5.531 32.570 1.00 0.00 H ATOM 1173 HG2 GLN B 499 57.363 3.694 31.665 1.00 0.00 H ATOM 1174 HG3 GLN B 499 56.581 2.599 32.829 1.00 0.00 H ATOM 1175 HE22 GLN B 499 55.067 1.388 31.918 1.00 0.00 H ATOM 1176 HE21 GLN B 499 53.920 1.953 30.649 1.00 0.00 H ATOM 1177 H GLN B 499 56.383 6.933 34.430 1.00 0.00 H ATOM 1178 N LEU B 500 59.720 4.799 33.266 1.00 8.03 N ATOM 1179 CA LEU B 500 60.903 5.141 32.498 1.00 8.62 C ATOM 1180 C LEU B 500 61.500 3.971 31.746 1.00 8.35 C ATOM 1181 O LEU B 500 61.819 2.937 32.328 1.00 10.33 O ATOM 1182 CB LEU B 500 61.952 5.753 33.448 1.00 8.34 C ATOM 1183 CG LEU B 500 61.502 6.999 34.231 1.00 7.73 C ATOM 1184 CD1 LEU B 500 62.390 7.213 35.439 1.00 9.29 C ATOM 1185 CD2 LEU B 500 61.502 8.212 33.316 1.00 9.38 C ATOM 1186 HA LEU B 500 60.598 5.859 31.737 1.00 0.00 H ATOM 1187 HB2 LEU B 500 62.235 4.988 34.171 1.00 0.00 H ATOM 1188 HB3 LEU B 500 62.822 6.028 32.852 1.00 0.00 H ATOM 1189 HG LEU B 500 60.485 6.849 34.594 1.00 0.00 H ATOM 1190 HD21 LEU B 500 62.508 8.374 32.929 1.00 0.00 H ATOM 1191 HD22 LEU B 500 60.816 8.040 32.487 1.00 0.00 H ATOM 1192 HD23 LEU B 500 61.182 9.089 33.878 1.00 0.00 H ATOM 1193 HD11 LEU B 500 62.330 6.342 36.092 1.00 0.00 H ATOM 1194 HD12 LEU B 500 63.420 7.352 35.111 1.00 0.00 H ATOM 1195 HD13 LEU B 500 62.057 8.098 35.981 1.00 0.00 H ATOM 1196 H LEU B 500 59.767 4.045 33.981 1.00 0.00 H ATOM 1197 N LEU B 501 61.627 4.138 30.438 1.00 7.31 N ATOM 1198 CA LEU B 501 62.241 3.123 29.593 1.00 7.46 C ATOM 1199 C LEU B 501 63.760 3.247 29.800 1.00 7.69 C ATOM 1200 O LEU B 501 64.327 4.330 29.663 1.00 7.81 O ATOM 1201 CB LEU B 501 61.886 3.379 28.120 1.00 8.00 C ATOM 1202 CG LEU B 501 62.438 2.357 27.121 1.00 8.04 C ATOM 1203 CD1 LEU B 501 61.792 0.983 27.396 1.00 8.78 C ATOM 1204 CD2 LEU B 501 62.180 2.801 25.673 1.00 8.44 C ATOM 1205 HA LEU B 501 61.887 2.125 29.851 1.00 0.00 H ATOM 1206 HB2 LEU B 501 60.800 3.382 28.032 1.00 0.00 H ATOM 1207 HB3 LEU B 501 62.274 4.360 27.846 1.00 0.00 H ATOM 1208 HG LEU B 501 63.518 2.282 27.249 1.00 0.00 H ATOM 1209 HD21 LEU B 501 61.107 2.902 25.511 1.00 0.00 H ATOM 1210 HD22 LEU B 501 62.667 3.760 25.496 1.00 0.00 H ATOM 1211 HD23 LEU B 501 62.583 2.055 24.988 1.00 0.00 H ATOM 1212 HD11 LEU B 501 62.029 0.668 28.412 1.00 0.00 H ATOM 1213 HD12 LEU B 501 60.711 1.062 27.282 1.00 0.00 H ATOM 1214 HD13 LEU B 501 62.181 0.252 26.688 1.00 0.00 H ATOM 1215 H LEU B 501 61.279 5.017 30.003 1.00 0.00 H ATOM 1216 N MET B 502 64.419 2.145 30.130 1.00 7.54 N ATOM 1217 CA MET B 502 65.864 2.148 30.365 1.00 7.89 C ATOM 1218 C MET B 502 66.647 1.812 29.101 1.00 7.92 C ATOM 1219 O MET B 502 66.338 0.845 28.386 1.00 9.67 O ATOM 1220 CB MET B 502 66.227 1.132 31.447 1.00 9.84 C ATOM 1221 CG MET B 502 65.574 1.449 32.782 1.00 10.34 C ATOM 1222 SD MET B 502 66.046 0.331 34.086 1.00 14.35 S ATOM 1223 CE MET B 502 65.001 -1.047 33.690 1.00 16.06 C ATOM 1224 HA MET B 502 66.132 3.155 30.685 1.00 0.00 H ATOM 1225 HB2 MET B 502 65.901 0.144 31.123 1.00 0.00 H ATOM 1226 HB3 MET B 502 67.309 1.131 31.578 1.00 0.00 H ATOM 1227 HG2 MET B 502 64.492 1.398 32.658 1.00 0.00 H ATOM 1228 HG3 MET B 502 65.858 2.460 33.074 1.00 0.00 H ATOM 1229 HE1 MET B 502 63.958 -0.733 33.728 1.00 0.00 H ATOM 1230 HE2 MET B 502 65.238 -1.405 32.688 1.00 0.00 H ATOM 1231 HE3 MET B 502 65.167 -1.847 34.412 1.00 0.00 H ATOM 1232 H MET B 502 63.894 1.252 30.225 1.00 0.00 H ATOM 1233 N CYS B 503 67.674 2.608 28.823 1.00 8.80 N ATOM 1234 CA CYS B 503 68.498 2.345 27.660 1.00 8.73 C ATOM 1235 C CYS B 503 69.319 1.080 27.906 1.00 9.24 C ATOM 1236 O CYS B 503 69.854 0.879 29.002 1.00 9.51 O ATOM 1237 CB CYS B 503 69.440 3.518 27.395 1.00 9.68 C ATOM 1238 SG CYS B 503 70.503 3.226 25.952 1.00 8.18 S ATOM 1239 HA CYS B 503 67.854 2.211 26.791 1.00 0.00 H ATOM 1240 HB2 CYS B 503 70.070 3.668 28.272 1.00 0.00 H ATOM 1241 HB3 CYS B 503 68.845 4.414 27.218 1.00 0.00 H ATOM 1242 HG CYS B 503 71.269 2.098 26.167 1.00 0.00 H ATOM 1243 H CYS B 503 67.886 3.419 29.439 1.00 0.00 H ATOM 1244 N ASP B 504 69.424 0.225 26.894 1.00 8.77 N ATOM 1245 CA ASP B 504 70.202 -0.996 27.061 1.00 10.37 C ATOM 1246 C ASP B 504 71.701 -0.797 26.934 1.00 10.95 C ATOM 1247 O ASP B 504 72.458 -1.729 27.193 1.00 12.92 O ATOM 1248 CB ASP B 504 69.726 -2.068 26.079 1.00 11.69 C ATOM 1249 CG ASP B 504 68.393 -2.649 26.481 1.00 11.75 C ATOM 1250 OD1 ASP B 504 68.207 -2.904 27.685 1.00 13.55 O ATOM 1251 OD2 ASP B 504 67.518 -2.847 25.608 1.00 13.86 O ATOM 1252 HA ASP B 504 70.028 -1.323 28.086 1.00 0.00 H ATOM 1253 HB2 ASP B 504 69.632 -1.622 25.089 1.00 0.00 H ATOM 1254 HB3 ASP B 504 70.464 -2.869 26.047 1.00 0.00 H ATOM 1255 H ASP B 504 68.954 0.426 25.988 1.00 0.00 H ATOM 1256 N THR B 505 72.134 0.404 26.565 1.00 10.77 N ATOM 1257 CA THR B 505 73.564 0.659 26.393 1.00 11.53 C ATOM 1258 C THR B 505 74.185 1.810 27.195 1.00 10.83 C ATOM 1259 O THR B 505 75.388 2.084 27.058 1.00 11.19 O ATOM 1260 CB THR B 505 73.892 0.828 24.887 1.00 11.61 C ATOM 1261 OG1 THR B 505 73.024 1.813 24.309 1.00 12.11 O ATOM 1262 CG2 THR B 505 73.694 -0.492 24.144 1.00 12.81 C ATOM 1263 HA THR B 505 74.032 -0.228 26.821 1.00 0.00 H ATOM 1264 HB THR B 505 74.932 1.143 24.797 1.00 0.00 H ATOM 1265 HG1 THR B 505 73.154 2.678 24.772 1.00 0.00 H ATOM 1266 HG23 THR B 505 74.348 -1.251 24.573 1.00 0.00 H ATOM 1267 HG21 THR B 505 72.656 -0.809 24.240 1.00 0.00 H ATOM 1268 HG22 THR B 505 73.937 -0.354 23.090 1.00 0.00 H ATOM 1269 H THR B 505 71.450 1.169 26.397 1.00 0.00 H ATOM 1270 N CYS B 506 73.387 2.499 28.005 1.00 9.77 N ATOM 1271 CA CYS B 506 73.904 3.563 28.870 1.00 9.68 C ATOM 1272 C CYS B 506 72.954 3.726 30.057 1.00 9.39 C ATOM 1273 O CYS B 506 71.937 3.035 30.143 1.00 10.72 O ATOM 1274 CB CYS B 506 74.096 4.893 28.133 1.00 8.70 C ATOM 1275 SG CYS B 506 72.600 5.888 27.879 1.00 9.94 S ATOM 1276 HA CYS B 506 74.896 3.273 29.215 1.00 0.00 H ATOM 1277 HB2 CYS B 506 74.520 4.673 27.153 1.00 0.00 H ATOM 1278 HB3 CYS B 506 74.802 5.493 28.707 1.00 0.00 H ATOM 1279 HG CYS B 506 71.690 5.166 27.134 1.00 0.00 H ATOM 1280 H CYS B 506 72.371 2.277 28.025 1.00 0.00 H ATOM 1281 N SER B 507 73.287 4.641 30.959 1.00 8.88 N ATOM 1282 CA SER B 507 72.502 4.882 32.165 1.00 9.19 C ATOM 1283 C SER B 507 71.250 5.733 31.998 1.00 9.39 C ATOM 1284 O SER B 507 70.491 5.903 32.954 1.00 8.79 O ATOM 1285 CB SER B 507 73.394 5.530 33.227 1.00 9.88 C ATOM 1286 OG SER B 507 73.957 6.730 32.738 1.00 9.42 O ATOM 1287 HA SER B 507 72.141 3.896 32.458 1.00 0.00 H ATOM 1288 HB2 SER B 507 74.195 4.840 33.492 1.00 0.00 H ATOM 1289 HB3 SER B 507 72.797 5.749 34.112 1.00 0.00 H ATOM 1290 HG SER B 507 74.503 6.534 31.936 1.00 0.00 H ATOM 1291 H SER B 507 74.143 5.210 30.800 1.00 0.00 H ATOM 1292 N ARG B 508 71.036 6.272 30.802 1.00 9.03 N ATOM 1293 CA ARG B 508 69.870 7.116 30.565 1.00 8.54 C ATOM 1294 C ARG B 508 68.525 6.402 30.536 1.00 7.21 C ATOM 1295 O ARG B 508 68.426 5.222 30.191 1.00 8.13 O ATOM 1296 CB ARG B 508 70.044 7.906 29.273 1.00 7.63 C ATOM 1297 CG ARG B 508 71.237 8.872 29.296 1.00 10.50 C ATOM 1298 CD ARG B 508 71.327 9.594 27.959 1.00 12.79 C ATOM 1299 NE ARG B 508 72.518 10.429 27.778 1.00 15.19 N ATOM 1300 CZ ARG B 508 73.726 9.983 27.432 1.00 17.50 C ATOM 1301 NH1 ARG B 508 73.944 8.690 27.230 1.00 16.41 N ATOM 1302 NH2 ARG B 508 74.714 10.851 27.240 1.00 19.21 N ATOM 1303 HA ARG B 508 69.832 7.770 31.436 1.00 0.00 H ATOM 1304 HB2 ARG B 508 70.188 7.200 28.455 1.00 0.00 H ATOM 1305 HB3 ARG B 508 69.136 8.484 29.098 1.00 0.00 H ATOM 1306 HG2 ARG B 508 71.100 9.601 30.095 1.00 0.00 H ATOM 1307 HG3 ARG B 508 72.156 8.312 29.470 1.00 0.00 H ATOM 1308 HD2 ARG B 508 70.449 10.233 27.861 1.00 0.00 H ATOM 1309 HD3 ARG B 508 71.318 8.843 27.169 1.00 0.00 H ATOM 1310 HE ARG B 508 72.412 11.452 27.932 1.00 0.00 H ATOM 1311 HH12 ARG B 508 74.892 8.358 26.961 1.00 0.00 H ATOM 1312 HH11 ARG B 508 73.167 8.008 27.341 1.00 0.00 H ATOM 1313 HH22 ARG B 508 75.659 10.512 26.970 1.00 0.00 H ATOM 1314 HH21 ARG B 508 74.542 11.870 27.360 1.00 0.00 H ATOM 1315 H ARG B 508 71.706 6.090 30.028 1.00 0.00 H ATOM 1316 N VAL B 509 67.487 7.140 30.930 1.00 7.32 N ATOM 1317 CA VAL B 509 66.113 6.629 30.913 1.00 6.35 C ATOM 1318 C VAL B 509 65.221 7.692 30.313 1.00 6.97 C ATOM 1319 O VAL B 509 65.520 8.887 30.388 1.00 6.71 O ATOM 1320 CB VAL B 509 65.645 6.235 32.329 1.00 8.14 C ATOM 1321 CG1 VAL B 509 66.633 5.257 32.939 1.00 8.10 C ATOM 1322 CG2 VAL B 509 65.479 7.461 33.208 1.00 9.80 C ATOM 1323 HA VAL B 509 66.063 5.724 30.308 1.00 0.00 H ATOM 1324 HB VAL B 509 64.671 5.752 32.256 1.00 0.00 H ATOM 1325 HG11 VAL B 509 66.692 4.365 32.315 1.00 0.00 H ATOM 1326 HG12 VAL B 509 67.616 5.725 32.999 1.00 0.00 H ATOM 1327 HG13 VAL B 509 66.299 4.981 33.939 1.00 0.00 H ATOM 1328 HG21 VAL B 509 66.433 7.982 33.287 1.00 0.00 H ATOM 1329 HG22 VAL B 509 64.736 8.125 32.766 1.00 0.00 H ATOM 1330 HG23 VAL B 509 65.148 7.153 34.200 1.00 0.00 H ATOM 1331 H VAL B 509 67.658 8.111 31.261 1.00 0.00 H ATOM 1332 N TYR B 510 64.114 7.250 29.733 1.00 7.12 N ATOM 1333 CA TYR B 510 63.192 8.150 29.042 1.00 7.52 C ATOM 1334 C TYR B 510 61.748 7.753 29.192 1.00 7.56 C ATOM 1335 O TYR B 510 61.428 6.574 29.198 1.00 7.62 O ATOM 1336 CB TYR B 510 63.432 8.122 27.526 1.00 8.85 C ATOM 1337 CG TYR B 510 64.812 8.490 27.068 1.00 9.17 C ATOM 1338 CD1 TYR B 510 65.900 7.641 27.281 1.00 10.50 C ATOM 1339 CD2 TYR B 510 65.036 9.707 26.435 1.00 10.39 C ATOM 1340 CE1 TYR B 510 67.175 8.011 26.881 1.00 12.07 C ATOM 1341 CE2 TYR B 510 66.309 10.076 26.027 1.00 12.59 C ATOM 1342 CZ TYR B 510 67.364 9.229 26.259 1.00 11.80 C ATOM 1343 OH TYR B 510 68.629 9.629 25.885 1.00 16.50 O ATOM 1344 HA TYR B 510 63.379 9.125 29.493 1.00 0.00 H ATOM 1345 HB3 TYR B 510 62.731 8.818 27.065 1.00 0.00 H ATOM 1346 HB2 TYR B 510 63.223 7.112 27.174 1.00 0.00 H ATOM 1347 HD2 TYR B 510 64.199 10.381 26.257 1.00 0.00 H ATOM 1348 HE2 TYR B 510 66.470 11.031 25.526 1.00 0.00 H ATOM 1349 HE1 TYR B 510 68.021 7.346 27.056 1.00 0.00 H ATOM 1350 HD1 TYR B 510 65.745 6.678 27.767 1.00 0.00 H ATOM 1351 HH TYR B 510 69.280 8.919 26.115 1.00 0.00 H ATOM 1352 H TYR B 510 63.895 6.234 29.771 1.00 0.00 H ATOM 1353 N HIS B 511 60.866 8.739 29.305 1.00 6.92 N ATOM 1354 CA HIS B 511 59.446 8.431 29.268 1.00 7.11 C ATOM 1355 C HIS B 511 59.182 8.023 27.820 1.00 7.29 C ATOM 1356 O HIS B 511 59.761 8.589 26.879 1.00 7.16 O ATOM 1357 CB HIS B 511 58.600 9.668 29.526 1.00 7.07 C ATOM 1358 CG HIS B 511 58.624 10.137 30.938 1.00 7.84 C ATOM 1359 ND1 HIS B 511 59.178 11.341 31.300 1.00 7.47 N ATOM 1360 CD2 HIS B 511 58.171 9.565 32.080 1.00 8.22 C ATOM 1361 CE1 HIS B 511 59.068 11.493 32.611 1.00 7.06 C ATOM 1362 NE2 HIS B 511 58.461 10.428 33.107 1.00 8.44 N ATOM 1363 HA HIS B 511 59.200 7.678 30.016 1.00 0.00 H ATOM 1364 HB2 HIS B 511 58.969 10.474 28.891 1.00 0.00 H ATOM 1365 HB3 HIS B 511 57.568 9.439 29.258 1.00 0.00 H ATOM 1366 HD2 HIS B 511 57.670 8.601 32.167 1.00 0.00 H ATOM 1367 HE1 HIS B 511 59.419 12.351 33.184 1.00 0.00 H ATOM 1368 H HIS B 511 61.188 9.721 29.419 1.00 0.00 H ATOM 1369 N LEU B 512 58.281 7.077 27.616 1.00 7.61 N ATOM 1370 CA LEU B 512 57.949 6.654 26.262 1.00 9.50 C ATOM 1371 C LEU B 512 57.406 7.840 25.460 1.00 10.07 C ATOM 1372 O LEU B 512 57.703 7.971 24.272 1.00 10.49 O ATOM 1373 CB LEU B 512 56.892 5.547 26.300 1.00 10.96 C ATOM 1374 CG LEU B 512 57.374 4.208 26.862 1.00 13.66 C ATOM 1375 CD1 LEU B 512 56.200 3.274 27.051 1.00 14.66 C ATOM 1376 CD2 LEU B 512 58.389 3.596 25.940 1.00 14.36 C ATOM 1377 HA LEU B 512 58.853 6.276 25.786 1.00 0.00 H ATOM 1378 HB2 LEU B 512 56.062 5.893 26.916 1.00 0.00 H ATOM 1379 HB3 LEU B 512 56.541 5.379 25.282 1.00 0.00 H ATOM 1380 HG LEU B 512 57.844 4.378 27.831 1.00 0.00 H ATOM 1381 HD21 LEU B 512 57.937 3.432 24.962 1.00 0.00 H ATOM 1382 HD22 LEU B 512 59.240 4.270 25.840 1.00 0.00 H ATOM 1383 HD23 LEU B 512 58.724 2.644 26.351 1.00 0.00 H ATOM 1384 HD11 LEU B 512 55.490 3.721 27.747 1.00 0.00 H ATOM 1385 HD12 LEU B 512 55.713 3.106 26.091 1.00 0.00 H ATOM 1386 HD13 LEU B 512 56.554 2.324 27.451 1.00 0.00 H ATOM 1387 H LEU B 512 57.806 6.632 28.427 1.00 0.00 H ATOM 1388 N ASP B 513 56.636 8.704 26.115 1.00 10.79 N ATOM 1389 CA ASP B 513 56.046 9.861 25.440 1.00 12.49 C ATOM 1390 C ASP B 513 57.039 10.997 25.197 1.00 12.12 C ATOM 1391 O ASP B 513 56.726 11.978 24.516 1.00 14.27 O ATOM 1392 CB ASP B 513 54.823 10.345 26.226 1.00 15.55 C ATOM 1393 CG ASP B 513 53.639 9.409 26.073 1.00 18.23 C ATOM 1394 OD1 ASP B 513 53.191 9.232 24.918 1.00 20.87 O ATOM 1395 OD2 ASP B 513 53.168 8.848 27.086 1.00 21.71 O ATOM 1396 HA ASP B 513 55.736 9.534 24.448 1.00 0.00 H ATOM 1397 HB2 ASP B 513 55.086 10.409 27.282 1.00 0.00 H ATOM 1398 HB3 ASP B 513 54.540 11.333 25.863 1.00 0.00 H ATOM 1399 H ASP B 513 56.449 8.555 27.127 1.00 0.00 H ATOM 1400 N CYS B 514 58.239 10.867 25.743 1.00 10.44 N ATOM 1401 CA CYS B 514 59.268 11.881 25.516 1.00 11.24 C ATOM 1402 C CYS B 514 60.201 11.537 24.356 1.00 11.86 C ATOM 1403 O CYS B 514 61.123 12.291 24.054 1.00 13.32 O ATOM 1404 CB CYS B 514 60.089 12.103 26.789 1.00 11.94 C ATOM 1405 SG CYS B 514 59.193 13.076 27.995 1.00 10.52 S ATOM 1406 HA CYS B 514 58.743 12.797 25.246 1.00 0.00 H ATOM 1407 HB2 CYS B 514 61.010 12.624 26.529 1.00 0.00 H ATOM 1408 HB3 CYS B 514 60.332 11.135 27.226 1.00 0.00 H ATOM 1409 HG CYS B 514 59.975 13.246 29.119 1.00 0.00 H ATOM 1410 H CYS B 514 58.450 10.039 26.336 1.00 0.00 H ATOM 1411 N LEU B 515 59.956 10.398 23.713 1.00 10.92 N ATOM 1412 CA LEU B 515 60.748 9.954 22.574 1.00 11.77 C ATOM 1413 C LEU B 515 60.167 10.434 21.244 1.00 11.92 C ATOM 1414 O LEU B 515 59.045 10.936 21.192 1.00 12.21 O ATOM 1415 CB LEU B 515 60.821 8.435 22.568 1.00 10.18 C ATOM 1416 CG LEU B 515 61.553 7.827 23.765 1.00 11.09 C ATOM 1417 CD1 LEU B 515 61.486 6.325 23.667 1.00 11.10 C ATOM 1418 CD2 LEU B 515 63.013 8.281 23.801 1.00 9.40 C ATOM 1419 HA LEU B 515 61.743 10.386 22.679 1.00 0.00 H ATOM 1420 HB2 LEU B 515 59.803 8.046 22.558 1.00 0.00 H ATOM 1421 HB3 LEU B 515 61.337 8.123 21.660 1.00 0.00 H ATOM 1422 HG LEU B 515 61.072 8.164 24.683 1.00 0.00 H ATOM 1423 HD21 LEU B 515 63.513 7.964 22.886 1.00 0.00 H ATOM 1424 HD22 LEU B 515 63.052 9.367 23.881 1.00 0.00 H ATOM 1425 HD23 LEU B 515 63.510 7.834 24.662 1.00 0.00 H ATOM 1426 HD11 LEU B 515 60.443 6.008 23.672 1.00 0.00 H ATOM 1427 HD12 LEU B 515 61.961 6.001 22.741 1.00 0.00 H ATOM 1428 HD13 LEU B 515 62.006 5.883 24.517 1.00 0.00 H ATOM 1429 H LEU B 515 59.168 9.801 24.036 1.00 0.00 H ATOM 1430 N ASP B 516 60.942 10.265 20.176 1.00 14.47 N ATOM 1431 CA ASP B 516 60.525 10.665 18.832 1.00 16.88 C ATOM 1432 C ASP B 516 60.498 9.477 17.884 1.00 17.51 C ATOM 1433 O ASP B 516 61.541 8.964 17.480 1.00 19.33 O ATOM 1434 CB ASP B 516 61.472 11.718 18.262 1.00 19.80 C ATOM 1435 CG ASP B 516 61.842 12.767 19.280 1.00 21.85 C ATOM 1436 OD1 ASP B 516 60.930 13.226 19.996 1.00 25.00 O ATOM 1437 OD2 ASP B 516 63.034 13.131 19.370 1.00 23.46 O ATOM 1438 HA ASP B 516 59.520 11.078 18.921 1.00 0.00 H ATOM 1439 HB2 ASP B 516 62.382 11.224 17.921 1.00 0.00 H ATOM 1440 HB3 ASP B 516 60.986 12.206 17.417 1.00 0.00 H ATOM 1441 H ASP B 516 61.879 9.832 20.301 1.00 0.00 H ATOM 1442 N PRO B 517 59.301 9.021 17.513 1.00 16.73 N ATOM 1443 CA PRO B 517 58.000 9.541 17.925 1.00 16.27 C ATOM 1444 C PRO B 517 57.656 9.002 19.316 1.00 14.15 C ATOM 1445 O PRO B 517 58.357 8.127 19.840 1.00 14.65 O ATOM 1446 CB PRO B 517 57.067 8.977 16.858 1.00 16.89 C ATOM 1447 CG PRO B 517 57.672 7.626 16.608 1.00 17.45 C ATOM 1448 CD PRO B 517 59.151 7.923 16.539 1.00 17.19 C ATOM 1449 HA PRO B 517 57.945 10.627 17.999 1.00 0.00 H ATOM 1450 HD3 PRO B 517 59.742 7.054 16.830 1.00 0.00 H ATOM 1451 HD2 PRO B 517 59.443 8.241 15.538 1.00 0.00 H ATOM 1452 HG3 PRO B 517 57.313 7.203 15.670 1.00 0.00 H ATOM 1453 HG2 PRO B 517 57.448 6.939 17.424 1.00 0.00 H ATOM 1454 HB2 PRO B 517 56.045 8.893 17.228 1.00 0.00 H ATOM 1455 HB3 PRO B 517 57.077 9.590 15.957 1.00 0.00 H ATOM 1456 N PRO B 518 56.595 9.528 19.939 1.00 13.81 N ATOM 1457 CA PRO B 518 56.227 9.019 21.265 1.00 12.95 C ATOM 1458 C PRO B 518 55.921 7.524 21.082 1.00 12.17 C ATOM 1459 O PRO B 518 55.177 7.138 20.172 1.00 12.58 O ATOM 1460 CB PRO B 518 54.984 9.834 21.619 1.00 14.42 C ATOM 1461 CG PRO B 518 55.230 11.156 20.903 1.00 16.29 C ATOM 1462 CD PRO B 518 55.811 10.726 19.577 1.00 14.89 C ATOM 1463 HA PRO B 518 56.980 9.110 22.047 1.00 0.00 H ATOM 1464 HD3 PRO B 518 55.024 10.480 18.864 1.00 0.00 H ATOM 1465 HD2 PRO B 518 56.450 11.503 19.157 1.00 0.00 H ATOM 1466 HG3 PRO B 518 55.935 11.776 21.457 1.00 0.00 H ATOM 1467 HG2 PRO B 518 54.299 11.704 20.763 1.00 0.00 H ATOM 1468 HB2 PRO B 518 54.079 9.350 21.251 1.00 0.00 H ATOM 1469 HB3 PRO B 518 54.904 9.980 22.696 1.00 0.00 H ATOM 1470 N LEU B 519 56.498 6.673 21.923 1.00 10.18 N ATOM 1471 CA LEU B 519 56.276 5.248 21.767 1.00 10.14 C ATOM 1472 C LEU B 519 54.970 4.774 22.374 1.00 9.42 C ATOM 1473 O LEU B 519 54.593 5.191 23.474 1.00 12.15 O ATOM 1474 CB LEU B 519 57.439 4.446 22.353 1.00 11.46 C ATOM 1475 CG LEU B 519 58.750 4.592 21.569 1.00 10.74 C ATOM 1476 CD1 LEU B 519 59.765 3.587 22.108 1.00 12.58 C ATOM 1477 CD2 LEU B 519 58.524 4.321 20.064 1.00 11.61 C ATOM 1478 HA LEU B 519 56.213 5.073 20.693 1.00 0.00 H ATOM 1479 HB2 LEU B 519 57.610 4.785 23.375 1.00 0.00 H ATOM 1480 HB3 LEU B 519 57.160 3.392 22.363 1.00 0.00 H ATOM 1481 HG LEU B 519 59.118 5.611 21.689 1.00 0.00 H ATOM 1482 HD21 LEU B 519 58.146 3.307 19.931 1.00 0.00 H ATOM 1483 HD22 LEU B 519 57.799 5.035 19.673 1.00 0.00 H ATOM 1484 HD23 LEU B 519 59.468 4.431 19.531 1.00 0.00 H ATOM 1485 HD11 LEU B 519 59.944 3.784 23.165 1.00 0.00 H ATOM 1486 HD12 LEU B 519 59.374 2.577 21.987 1.00 0.00 H ATOM 1487 HD13 LEU B 519 60.700 3.685 21.556 1.00 0.00 H ATOM 1488 H LEU B 519 57.106 7.027 22.689 1.00 0.00 H ATOM 1489 N LYS B 520 54.286 3.897 21.642 1.00 9.59 N ATOM 1490 CA LYS B 520 53.009 3.359 22.090 1.00 9.82 C ATOM 1491 C LYS B 520 53.174 1.952 22.630 1.00 9.14 C ATOM 1492 O LYS B 520 52.194 1.305 23.018 1.00 9.12 O ATOM 1493 CB LYS B 520 51.985 3.364 20.947 1.00 10.38 C ATOM 1494 CG LYS B 520 51.715 4.740 20.350 1.00 14.06 C ATOM 1495 CD LYS B 520 51.375 5.752 21.424 1.00 18.21 C ATOM 1496 CE LYS B 520 51.483 7.166 20.879 1.00 20.63 C ATOM 1497 NZ LYS B 520 51.479 8.182 21.962 1.00 23.89 N ATOM 1498 HA LYS B 520 52.642 3.999 22.892 1.00 0.00 H ATOM 1499 HB2 LYS B 520 52.356 2.715 20.154 1.00 0.00 H ATOM 1500 HB3 LYS B 520 51.045 2.968 21.330 1.00 0.00 H ATOM 1501 HG2 LYS B 520 52.604 5.075 19.815 1.00 0.00 H ATOM 1502 HG3 LYS B 520 50.879 4.667 19.654 1.00 0.00 H ATOM 1503 HD2 LYS B 520 50.356 5.578 21.771 1.00 0.00 H ATOM 1504 HD3 LYS B 520 52.067 5.635 22.258 1.00 0.00 H ATOM 1505 HE2 LYS B 520 50.638 7.354 20.217 1.00 0.00 H ATOM 1506 HE3 LYS B 520 52.411 7.256 20.315 1.00 0.00 H ATOM 1507 HZ1 LYS B 520 50.593 8.108 22.502 1.00 0.00 H ATOM 1508 HZ2 LYS B 520 52.287 8.015 22.595 1.00 0.00 H ATOM 1509 HZ3 LYS B 520 51.554 9.132 21.545 1.00 0.00 H ATOM 1510 H LYS B 520 54.673 3.588 20.727 1.00 0.00 H ATOM 1511 N THR B 521 54.417 1.481 22.662 1.00 9.67 N ATOM 1512 CA THR B 521 54.718 0.155 23.176 1.00 9.59 C ATOM 1513 C THR B 521 56.111 0.144 23.783 1.00 8.49 C ATOM 1514 O THR B 521 56.940 1.006 23.474 1.00 9.50 O ATOM 1515 CB THR B 521 54.708 -0.903 22.020 1.00 9.11 C ATOM 1516 OG1 THR B 521 54.622 -2.229 22.566 1.00 9.40 O ATOM 1517 CG2 THR B 521 55.980 -0.788 21.136 1.00 11.69 C ATOM 1518 HA THR B 521 53.961 -0.092 23.920 1.00 0.00 H ATOM 1519 HB THR B 521 53.837 -0.705 21.396 1.00 0.00 H ATOM 1520 HG1 THR B 521 54.616 -2.889 21.828 1.00 0.00 H ATOM 1521 HG23 THR B 521 56.044 0.219 20.723 1.00 0.00 H ATOM 1522 HG21 THR B 521 56.862 -0.989 21.743 1.00 0.00 H ATOM 1523 HG22 THR B 521 55.923 -1.513 20.324 1.00 0.00 H ATOM 1524 H THR B 521 55.194 2.076 22.310 1.00 0.00 H ATOM 1525 N ILE B 522 56.366 -0.819 24.660 1.00 8.43 N ATOM 1526 CA ILE B 522 57.696 -0.968 25.241 1.00 8.40 C ATOM 1527 C ILE B 522 58.396 -1.916 24.272 1.00 8.44 C ATOM 1528 O ILE B 522 57.936 -3.037 24.055 1.00 8.50 O ATOM 1529 CB ILE B 522 57.658 -1.628 26.635 1.00 9.47 C ATOM 1530 CG1 ILE B 522 56.990 -0.679 27.628 1.00 9.63 C ATOM 1531 CG2 ILE B 522 59.074 -1.997 27.084 1.00 9.78 C ATOM 1532 CD1 ILE B 522 55.522 -0.495 27.386 1.00 11.01 C ATOM 1533 HA ILE B 522 58.183 -0.002 25.373 1.00 0.00 H ATOM 1534 HB ILE B 522 57.075 -2.548 26.590 1.00 0.00 H ATOM 1535 HG12 ILE B 522 57.127 -1.079 28.633 1.00 0.00 H ATOM 1536 HG13 ILE B 522 57.476 0.294 27.556 1.00 0.00 H ATOM 1537 HD11 ILE B 522 55.368 -0.085 26.388 1.00 0.00 H ATOM 1538 HD12 ILE B 522 55.018 -1.458 27.466 1.00 0.00 H ATOM 1539 HD13 ILE B 522 55.116 0.191 28.129 1.00 0.00 H ATOM 1540 HG21 ILE B 522 59.510 -2.695 26.370 1.00 0.00 H ATOM 1541 HG22 ILE B 522 59.685 -1.096 27.132 1.00 0.00 H ATOM 1542 HG23 ILE B 522 59.032 -2.462 28.069 1.00 0.00 H ATOM 1543 H ILE B 522 55.608 -1.476 24.937 1.00 0.00 H ATOM 1544 N PRO B 523 59.497 -1.472 23.650 1.00 8.00 N ATOM 1545 CA PRO B 523 60.219 -2.337 22.699 1.00 8.60 C ATOM 1546 C PRO B 523 60.422 -3.737 23.254 1.00 8.41 C ATOM 1547 O PRO B 523 60.704 -3.911 24.440 1.00 8.75 O ATOM 1548 CB PRO B 523 61.536 -1.592 22.473 1.00 9.60 C ATOM 1549 CG PRO B 523 61.105 -0.129 22.621 1.00 9.50 C ATOM 1550 CD PRO B 523 60.176 -0.171 23.813 1.00 9.24 C ATOM 1551 HA PRO B 523 59.675 -2.501 21.769 1.00 0.00 H ATOM 1552 HD3 PRO B 523 60.734 -0.133 24.748 1.00 0.00 H ATOM 1553 HD2 PRO B 523 59.462 0.652 23.784 1.00 0.00 H ATOM 1554 HG3 PRO B 523 60.584 0.219 21.729 1.00 0.00 H ATOM 1555 HG2 PRO B 523 61.963 0.515 22.814 1.00 0.00 H ATOM 1556 HB2 PRO B 523 62.279 -1.864 23.223 1.00 0.00 H ATOM 1557 HB3 PRO B 523 61.937 -1.788 21.479 1.00 0.00 H ATOM 1558 N LYS B 524 60.286 -4.748 22.403 1.00 8.66 N ATOM 1559 CA LYS B 524 60.434 -6.117 22.894 1.00 9.83 C ATOM 1560 C LYS B 524 61.887 -6.494 23.160 1.00 10.82 C ATOM 1561 O LYS B 524 62.208 -7.029 24.231 1.00 11.74 O ATOM 1562 CB LYS B 524 59.794 -7.118 21.918 1.00 12.52 C ATOM 1563 CG LYS B 524 59.640 -8.504 22.549 1.00 13.92 C ATOM 1564 CD LYS B 524 58.864 -9.491 21.689 1.00 16.78 C ATOM 1565 CE LYS B 524 58.915 -10.874 22.325 1.00 17.77 C ATOM 1566 NZ LYS B 524 58.068 -11.896 21.645 1.00 20.59 N ATOM 1567 HA LYS B 524 59.911 -6.163 23.849 1.00 0.00 H ATOM 1568 HB2 LYS B 524 58.810 -6.750 21.629 1.00 0.00 H ATOM 1569 HB3 LYS B 524 60.424 -7.201 21.032 1.00 0.00 H ATOM 1570 HG2 LYS B 524 60.635 -8.912 22.728 1.00 0.00 H ATOM 1571 HG3 LYS B 524 59.118 -8.393 23.499 1.00 0.00 H ATOM 1572 HD2 LYS B 524 57.827 -9.166 21.610 1.00 0.00 H ATOM 1573 HD3 LYS B 524 59.307 -9.532 20.694 1.00 0.00 H ATOM 1574 HE2 LYS B 524 58.581 -10.787 23.359 1.00 0.00 H ATOM 1575 HE3 LYS B 524 59.948 -11.220 22.307 1.00 0.00 H ATOM 1576 HZ1 LYS B 524 57.074 -11.589 21.664 1.00 0.00 H ATOM 1577 HZ2 LYS B 524 58.381 -12.003 20.659 1.00 0.00 H ATOM 1578 HZ3 LYS B 524 58.160 -12.806 22.140 1.00 0.00 H ATOM 1579 H LYS B 524 60.077 -4.568 21.400 1.00 0.00 H ATOM 1580 N GLY B 525 62.752 -6.209 22.189 1.00 10.34 N ATOM 1581 CA GLY B 525 64.160 -6.522 22.319 1.00 11.59 C ATOM 1582 C GLY B 525 65.010 -5.354 22.771 1.00 11.43 C ATOM 1583 O GLY B 525 64.569 -4.483 23.518 1.00 12.40 O ATOM 1584 HA3 GLY B 525 64.528 -6.859 21.350 1.00 0.00 H ATOM 1585 HA2 GLY B 525 64.267 -7.326 23.047 1.00 0.00 H ATOM 1586 H GLY B 525 62.410 -5.752 21.320 1.00 0.00 H ATOM 1587 N MET B 526 66.247 -5.341 22.310 1.00 12.33 N ATOM 1588 CA MET B 526 67.176 -4.289 22.665 1.00 13.22 C ATOM 1589 C MET B 526 66.695 -2.934 22.177 1.00 12.70 C ATOM 1590 O MET B 526 66.168 -2.809 21.076 1.00 13.19 O ATOM 1591 CB MET B 526 68.545 -4.579 22.054 1.00 16.21 C ATOM 1592 CG MET B 526 69.628 -3.616 22.494 1.00 18.36 C ATOM 1593 SD MET B 526 71.155 -4.030 21.662 1.00 23.26 S ATOM 1594 CE MET B 526 71.416 -5.641 22.306 1.00 22.74 C ATOM 1595 HA MET B 526 67.246 -4.262 23.752 1.00 0.00 H ATOM 1596 HB2 MET B 526 68.843 -5.587 22.342 1.00 0.00 H ATOM 1597 HB3 MET B 526 68.456 -4.524 20.969 1.00 0.00 H ATOM 1598 HG2 MET B 526 69.768 -3.692 23.572 1.00 0.00 H ATOM 1599 HG3 MET B 526 69.337 -2.597 22.237 1.00 0.00 H ATOM 1600 HE1 MET B 526 71.500 -5.588 23.391 1.00 0.00 H ATOM 1601 HE2 MET B 526 70.575 -6.279 22.037 1.00 0.00 H ATOM 1602 HE3 MET B 526 72.335 -6.053 21.889 1.00 0.00 H ATOM 1603 H MET B 526 66.561 -6.104 21.677 1.00 0.00 H ATOM 1604 N TRP B 527 66.871 -1.921 23.015 1.00 11.50 N ATOM 1605 CA TRP B 527 66.509 -0.557 22.656 1.00 9.50 C ATOM 1606 C TRP B 527 67.708 0.322 23.006 1.00 9.28 C ATOM 1607 O TRP B 527 68.173 0.311 24.155 1.00 9.61 O ATOM 1608 CB TRP B 527 65.277 -0.083 23.431 1.00 9.23 C ATOM 1609 CG TRP B 527 64.904 1.346 23.075 1.00 8.42 C ATOM 1610 CD1 TRP B 527 64.322 1.777 21.923 1.00 8.06 C ATOM 1611 CD2 TRP B 527 65.131 2.518 23.869 1.00 8.21 C ATOM 1612 NE1 TRP B 527 64.174 3.145 21.944 1.00 9.56 N ATOM 1613 CE2 TRP B 527 64.661 3.626 23.129 1.00 9.41 C ATOM 1614 CE3 TRP B 527 65.684 2.739 25.132 1.00 9.31 C ATOM 1615 CZ2 TRP B 527 64.733 4.938 23.615 1.00 10.28 C ATOM 1616 CZ3 TRP B 527 65.753 4.045 25.618 1.00 9.72 C ATOM 1617 CH2 TRP B 527 65.279 5.125 24.854 1.00 9.80 C ATOM 1618 HA TRP B 527 66.262 -0.501 21.596 1.00 0.00 H ATOM 1619 HB2 TRP B 527 64.438 -0.737 23.194 1.00 0.00 H ATOM 1620 HB3 TRP B 527 65.489 -0.137 24.499 1.00 0.00 H ATOM 1621 HE1 TRP B 527 63.759 3.720 21.183 1.00 0.00 H ATOM 1622 HD1 TRP B 527 64.016 1.130 21.100 1.00 0.00 H ATOM 1623 HZ2 TRP B 527 64.367 5.779 23.026 1.00 0.00 H ATOM 1624 HH2 TRP B 527 65.348 6.135 25.259 1.00 0.00 H ATOM 1625 HZ3 TRP B 527 66.180 4.230 26.604 1.00 0.00 H ATOM 1626 HE3 TRP B 527 66.055 1.905 25.728 1.00 0.00 H ATOM 1627 H TRP B 527 67.279 -2.106 23.954 1.00 0.00 H ATOM 1628 N ILE B 528 68.184 1.072 22.012 1.00 9.08 N ATOM 1629 CA ILE B 528 69.340 1.962 22.158 1.00 9.98 C ATOM 1630 C ILE B 528 68.817 3.388 22.076 1.00 9.74 C ATOM 1631 O ILE B 528 68.189 3.766 21.087 1.00 10.46 O ATOM 1632 CB ILE B 528 70.356 1.653 21.043 1.00 11.35 C ATOM 1633 CG1 ILE B 528 70.796 0.196 21.185 1.00 13.49 C ATOM 1634 CG2 ILE B 528 71.548 2.605 21.119 1.00 12.19 C ATOM 1635 CD1 ILE B 528 71.831 -0.226 20.165 1.00 14.35 C ATOM 1636 HA ILE B 528 69.852 1.821 23.110 1.00 0.00 H ATOM 1637 HB ILE B 528 69.896 1.799 20.066 1.00 0.00 H ATOM 1638 HG12 ILE B 528 71.217 0.058 22.181 1.00 0.00 H ATOM 1639 HG13 ILE B 528 69.919 -0.442 21.071 1.00 0.00 H ATOM 1640 HD11 ILE B 528 71.421 -0.105 19.162 1.00 0.00 H ATOM 1641 HD12 ILE B 528 72.720 0.395 20.273 1.00 0.00 H ATOM 1642 HD13 ILE B 528 72.095 -1.271 20.328 1.00 0.00 H ATOM 1643 HG21 ILE B 528 71.200 3.631 21.004 1.00 0.00 H ATOM 1644 HG22 ILE B 528 72.040 2.493 22.085 1.00 0.00 H ATOM 1645 HG23 ILE B 528 72.252 2.368 20.322 1.00 0.00 H ATOM 1646 H ILE B 528 67.712 1.023 21.087 1.00 0.00 H ATOM 1647 N CYS B 529 69.058 4.172 23.125 1.00 9.83 N ATOM 1648 CA CYS B 529 68.539 5.544 23.199 1.00 9.40 C ATOM 1649 C CYS B 529 69.123 6.510 22.165 1.00 10.51 C ATOM 1650 O CYS B 529 70.145 6.242 21.562 1.00 10.69 O ATOM 1651 CB CYS B 529 68.728 6.106 24.611 1.00 8.28 C ATOM 1652 SG CYS B 529 70.352 6.831 24.957 1.00 9.57 S ATOM 1653 HA CYS B 529 67.479 5.465 22.957 1.00 0.00 H ATOM 1654 HB2 CYS B 529 68.566 5.294 25.320 1.00 0.00 H ATOM 1655 HB3 CYS B 529 67.976 6.879 24.768 1.00 0.00 H ATOM 1656 HG CYS B 529 70.380 7.294 26.257 1.00 0.00 H ATOM 1657 H CYS B 529 69.629 3.803 23.912 1.00 0.00 H ATOM 1658 N PRO B 530 68.470 7.653 21.955 1.00 11.89 N ATOM 1659 CA PRO B 530 68.932 8.647 20.987 1.00 13.02 C ATOM 1660 C PRO B 530 70.354 9.130 21.202 1.00 13.71 C ATOM 1661 O PRO B 530 71.086 9.367 20.237 1.00 13.70 O ATOM 1662 CB PRO B 530 67.905 9.767 21.138 1.00 14.43 C ATOM 1663 CG PRO B 530 66.689 9.022 21.419 1.00 14.56 C ATOM 1664 CD PRO B 530 67.146 8.033 22.468 1.00 13.16 C ATOM 1665 HA PRO B 530 68.989 8.232 19.981 1.00 0.00 H ATOM 1666 HD3 PRO B 530 67.218 8.499 23.451 1.00 0.00 H ATOM 1667 HD2 PRO B 530 66.478 7.173 22.523 1.00 0.00 H ATOM 1668 HG3 PRO B 530 66.325 8.511 20.528 1.00 0.00 H ATOM 1669 HG2 PRO B 530 65.907 9.675 21.807 1.00 0.00 H ATOM 1670 HB2 PRO B 530 68.162 10.433 21.962 1.00 0.00 H ATOM 1671 HB3 PRO B 530 67.812 10.347 20.220 1.00 0.00 H ATOM 1672 N ARG B 531 70.755 9.277 22.457 1.00 13.56 N ATOM 1673 CA ARG B 531 72.110 9.730 22.728 1.00 13.59 C ATOM 1674 C ARG B 531 73.127 8.651 22.352 1.00 13.22 C ATOM 1675 O ARG B 531 74.211 8.966 21.837 1.00 12.89 O ATOM 1676 CB ARG B 531 72.251 10.133 24.205 1.00 15.26 C ATOM 1677 CG ARG B 531 71.221 11.166 24.662 1.00 18.87 C ATOM 1678 CD ARG B 531 71.021 12.277 23.629 1.00 24.07 C ATOM 1679 NE ARG B 531 69.663 12.300 23.078 1.00 26.91 N ATOM 1680 CZ ARG B 531 68.564 12.587 23.776 1.00 27.96 C ATOM 1681 NH1 ARG B 531 68.648 12.879 25.067 1.00 28.39 N ATOM 1682 NH2 ARG B 531 67.376 12.592 23.180 1.00 28.72 N ATOM 1683 HA ARG B 531 72.314 10.607 22.114 1.00 0.00 H ATOM 1684 HB2 ARG B 531 72.137 9.239 24.818 1.00 0.00 H ATOM 1685 HB3 ARG B 531 73.247 10.550 24.354 1.00 0.00 H ATOM 1686 HG2 ARG B 531 70.268 10.663 24.827 1.00 0.00 H ATOM 1687 HG3 ARG B 531 71.561 11.612 25.597 1.00 0.00 H ATOM 1688 HD2 ARG B 531 71.726 12.125 22.812 1.00 0.00 H ATOM 1689 HD3 ARG B 531 71.220 13.237 24.106 1.00 0.00 H ATOM 1690 HE ARG B 531 69.548 12.076 22.069 1.00 0.00 H ATOM 1691 HH12 ARG B 531 67.787 13.102 25.607 1.00 0.00 H ATOM 1692 HH11 ARG B 531 69.574 12.885 25.540 1.00 0.00 H ATOM 1693 HH22 ARG B 531 66.521 12.816 23.727 1.00 0.00 H ATOM 1694 HH21 ARG B 531 67.302 12.372 22.166 1.00 0.00 H ATOM 1695 H ARG B 531 70.105 9.070 23.242 1.00 0.00 H ATOM 1696 N CYS B 532 72.806 7.386 22.603 1.00 11.99 N ATOM 1697 CA CYS B 532 73.717 6.308 22.230 1.00 11.73 C ATOM 1698 C CYS B 532 73.783 6.174 20.715 1.00 12.45 C ATOM 1699 O CYS B 532 74.842 5.899 20.165 1.00 12.61 O ATOM 1700 CB CYS B 532 73.279 4.979 22.843 1.00 10.12 C ATOM 1701 SG CYS B 532 73.708 4.826 24.579 1.00 10.02 S ATOM 1702 HA CYS B 532 74.705 6.558 22.616 1.00 0.00 H ATOM 1703 HB2 CYS B 532 73.760 4.169 22.294 1.00 0.00 H ATOM 1704 HB3 CYS B 532 72.197 4.891 22.744 1.00 0.00 H ATOM 1705 HG CYS B 532 73.278 3.603 25.051 1.00 0.00 H ATOM 1706 H CYS B 532 71.902 7.163 23.067 1.00 0.00 H ATOM 1707 N GLN B 533 72.650 6.367 20.045 1.00 13.19 N ATOM 1708 CA GLN B 533 72.594 6.298 18.588 1.00 15.04 C ATOM 1709 C GLN B 533 73.526 7.375 18.016 1.00 15.25 C ATOM 1710 O GLN B 533 74.279 7.134 17.066 1.00 14.90 O ATOM 1711 CB GLN B 533 71.163 6.554 18.106 1.00 16.00 C ATOM 1712 CG GLN B 533 70.153 5.504 18.521 1.00 18.50 C ATOM 1713 CD GLN B 533 70.327 4.222 17.748 1.00 20.07 C ATOM 1714 OE1 GLN B 533 71.104 4.160 16.787 1.00 22.83 O ATOM 1715 NE2 GLN B 533 69.597 3.188 18.148 1.00 20.41 N ATOM 1716 HA GLN B 533 72.906 5.309 18.252 1.00 0.00 H ATOM 1717 HB2 GLN B 533 70.837 7.514 18.506 1.00 0.00 H ATOM 1718 HB3 GLN B 533 71.175 6.601 17.017 1.00 0.00 H ATOM 1719 HG2 GLN B 533 70.277 5.295 19.584 1.00 0.00 H ATOM 1720 HG3 GLN B 533 69.149 5.890 18.343 1.00 0.00 H ATOM 1721 HE22 GLN B 533 68.957 3.287 18.962 1.00 0.00 H ATOM 1722 HE21 GLN B 533 69.665 2.279 17.648 1.00 0.00 H ATOM 1723 H GLN B 533 71.779 6.573 20.575 1.00 0.00 H ATOM 1724 N ASP B 534 73.464 8.567 18.602 1.00 15.94 N ATOM 1725 CA ASP B 534 74.309 9.675 18.168 1.00 17.59 C ATOM 1726 C ASP B 534 75.785 9.348 18.444 1.00 17.58 C ATOM 1727 O ASP B 534 76.651 9.598 17.606 1.00 17.54 O ATOM 1728 CB ASP B 534 73.908 10.951 18.911 1.00 20.62 C ATOM 1729 CG ASP B 534 74.620 12.180 18.386 1.00 22.65 C ATOM 1730 OD1 ASP B 534 74.730 13.171 19.141 1.00 25.82 O ATOM 1731 OD2 ASP B 534 75.057 12.161 17.215 1.00 25.72 O ATOM 1732 HA ASP B 534 74.176 9.829 17.097 1.00 0.00 H ATOM 1733 HB2 ASP B 534 72.833 11.096 18.801 1.00 0.00 H ATOM 1734 HB3 ASP B 534 74.151 10.831 19.967 1.00 0.00 H ATOM 1735 H ASP B 534 72.798 8.713 19.387 1.00 0.00 H ATOM 1736 N GLN B 535 76.071 8.783 19.613 1.00 16.36 N ATOM 1737 CA GLN B 535 77.447 8.433 19.963 1.00 17.07 C ATOM 1738 C GLN B 535 78.040 7.464 18.942 1.00 17.26 C ATOM 1739 O GLN B 535 79.182 7.644 18.502 1.00 16.80 O ATOM 1740 CB GLN B 535 77.506 7.806 21.361 1.00 17.01 C ATOM 1741 CG GLN B 535 78.896 7.298 21.750 1.00 18.58 C ATOM 1742 CD GLN B 535 79.894 8.413 21.968 1.00 19.25 C ATOM 1743 OE1 GLN B 535 79.899 9.053 23.018 1.00 20.68 O ATOM 1744 NE2 GLN B 535 80.743 8.662 20.967 1.00 19.52 N ATOM 1745 HA GLN B 535 78.034 9.351 19.958 1.00 0.00 H ATOM 1746 HB2 GLN B 535 77.198 8.557 22.088 1.00 0.00 H ATOM 1747 HB3 GLN B 535 76.812 6.966 21.391 1.00 0.00 H ATOM 1748 HG2 GLN B 535 78.810 6.723 22.672 1.00 0.00 H ATOM 1749 HG3 GLN B 535 79.265 6.652 20.954 1.00 0.00 H ATOM 1750 HE22 GLN B 535 80.702 8.094 20.097 1.00 0.00 H ATOM 1751 HE21 GLN B 535 81.445 9.424 21.058 1.00 0.00 H ATOM 1752 H GLN B 535 75.305 8.587 20.288 1.00 0.00 H ATOM 1753 N MET B 536 77.279 6.430 18.582 1.00 17.33 N ATOM 1754 CA MET B 536 77.743 5.446 17.604 1.00 18.57 C ATOM 1755 C MET B 536 78.050 6.135 16.280 1.00 18.48 C ATOM 1756 O MET B 536 79.082 5.881 15.660 1.00 18.07 O ATOM 1757 CB MET B 536 76.696 4.345 17.377 1.00 19.21 C ATOM 1758 CG MET B 536 76.488 3.401 18.562 1.00 20.31 C ATOM 1759 SD MET B 536 75.529 1.908 18.127 1.00 22.82 S ATOM 1760 CE MET B 536 73.883 2.577 18.011 1.00 22.06 C ATOM 1761 HA MET B 536 78.647 4.983 17.999 1.00 0.00 H ATOM 1762 HB2 MET B 536 75.743 4.824 17.154 1.00 0.00 H ATOM 1763 HB3 MET B 536 77.011 3.749 16.520 1.00 0.00 H ATOM 1764 HG2 MET B 536 75.956 3.940 19.346 1.00 0.00 H ATOM 1765 HG3 MET B 536 77.464 3.091 18.935 1.00 0.00 H ATOM 1766 HE1 MET B 536 73.600 3.011 18.970 1.00 0.00 H ATOM 1767 HE2 MET B 536 73.859 3.348 17.241 1.00 0.00 H ATOM 1768 HE3 MET B 536 73.186 1.780 17.751 1.00 0.00 H ATOM 1769 H MET B 536 76.335 6.321 19.006 1.00 0.00 H ATOM 1770 N LEU B 537 77.155 7.027 15.867 1.00 18.88 N ATOM 1771 CA LEU B 537 77.320 7.768 14.625 1.00 20.04 C ATOM 1772 C LEU B 537 78.591 8.584 14.630 1.00 20.17 C ATOM 1773 O LEU B 537 79.363 8.565 13.671 1.00 19.90 O ATOM 1774 CB LEU B 537 76.126 8.695 14.399 1.00 20.69 C ATOM 1775 CG LEU B 537 74.855 7.884 14.219 1.00 21.50 C ATOM 1776 CD1 LEU B 537 73.776 8.710 13.549 1.00 21.43 C ATOM 1777 CD2 LEU B 537 75.207 6.674 13.392 1.00 22.70 C ATOM 1778 HA LEU B 537 77.381 7.040 13.816 1.00 0.00 H ATOM 1779 HB2 LEU B 537 76.014 9.353 15.260 1.00 0.00 H ATOM 1780 HB3 LEU B 537 76.300 9.294 13.505 1.00 0.00 H ATOM 1781 HG LEU B 537 74.458 7.577 15.186 1.00 0.00 H ATOM 1782 HD21 LEU B 537 75.595 6.996 12.426 1.00 0.00 H ATOM 1783 HD22 LEU B 537 75.965 6.088 13.912 1.00 0.00 H ATOM 1784 HD23 LEU B 537 74.315 6.066 13.242 1.00 0.00 H ATOM 1785 HD11 LEU B 537 73.552 9.581 14.165 1.00 0.00 H ATOM 1786 HD12 LEU B 537 74.126 9.036 12.569 1.00 0.00 H ATOM 1787 HD13 LEU B 537 72.877 8.105 13.432 1.00 0.00 H ATOM 1788 H LEU B 537 76.311 7.201 16.449 1.00 0.00 H ATOM 1789 N LYS B 538 78.805 9.300 15.725 1.00 20.64 N ATOM 1790 CA LYS B 538 79.979 10.146 15.851 1.00 20.93 C ATOM 1791 C LYS B 538 81.280 9.351 15.770 1.00 21.46 C ATOM 1792 O LYS B 538 82.254 9.825 15.193 1.00 21.34 O ATOM 1793 CB LYS B 538 79.911 10.960 17.148 1.00 21.43 C ATOM 1794 CG LYS B 538 78.798 12.010 17.154 1.00 23.94 C ATOM 1795 CD LYS B 538 78.808 12.830 18.436 1.00 25.24 C ATOM 1796 CE LYS B 538 77.840 14.002 18.353 1.00 26.67 C ATOM 1797 NZ LYS B 538 77.788 14.775 19.626 1.00 27.73 N ATOM 1798 HA LYS B 538 79.980 10.832 15.004 1.00 0.00 H ATOM 1799 HB2 LYS B 538 79.742 10.274 17.978 1.00 0.00 H ATOM 1800 HB3 LYS B 538 80.865 11.468 17.287 1.00 0.00 H ATOM 1801 HG2 LYS B 538 78.938 12.679 16.305 1.00 0.00 H ATOM 1802 HG3 LYS B 538 77.836 11.506 17.063 1.00 0.00 H ATOM 1803 HD2 LYS B 538 78.519 12.189 19.269 1.00 0.00 H ATOM 1804 HD3 LYS B 538 79.815 13.212 18.605 1.00 0.00 H ATOM 1805 HE2 LYS B 538 76.843 13.620 18.132 1.00 0.00 H ATOM 1806 HE3 LYS B 538 78.160 14.667 17.550 1.00 0.00 H ATOM 1807 HZ1 LYS B 538 77.477 14.150 20.397 1.00 0.00 H ATOM 1808 HZ2 LYS B 538 78.734 15.149 19.842 1.00 0.00 H ATOM 1809 HZ3 LYS B 538 77.117 15.563 19.524 1.00 0.00 H ATOM 1810 H LYS B 538 78.121 9.255 16.507 1.00 0.00 H ATOM 1811 N LYS B 539 81.300 8.146 16.331 1.00 21.72 N ATOM 1812 CA LYS B 539 82.511 7.329 16.293 1.00 22.38 C ATOM 1813 C LYS B 539 82.854 6.977 14.847 1.00 22.84 C ATOM 1814 O LYS B 539 84.025 6.965 14.464 1.00 23.02 O ATOM 1815 CB LYS B 539 82.328 6.042 17.110 1.00 22.60 C ATOM 1816 CG LYS B 539 81.799 4.877 16.302 1.00 22.53 C ATOM 1817 CD LYS B 539 80.669 4.172 17.003 1.00 23.95 C ATOM 1818 CE LYS B 539 80.012 3.203 16.060 1.00 22.75 C ATOM 1819 NZ LYS B 539 80.083 1.842 16.633 1.00 23.79 N ATOM 1820 HA LYS B 539 83.327 7.904 16.731 1.00 0.00 H ATOM 1821 HB2 LYS B 539 83.294 5.760 17.529 1.00 0.00 H ATOM 1822 HB3 LYS B 539 81.628 6.245 17.920 1.00 0.00 H ATOM 1823 HG2 LYS B 539 81.441 5.248 15.342 1.00 0.00 H ATOM 1824 HG3 LYS B 539 82.609 4.166 16.137 1.00 0.00 H ATOM 1825 HD2 LYS B 539 81.059 3.631 17.865 1.00 0.00 H ATOM 1826 HD3 LYS B 539 79.936 4.906 17.337 1.00 0.00 H ATOM 1827 HE2 LYS B 539 80.528 3.222 15.100 1.00 0.00 H ATOM 1828 HE3 LYS B 539 78.969 3.484 15.916 1.00 0.00 H ATOM 1829 HZ1 LYS B 539 81.079 1.576 16.769 1.00 0.00 H ATOM 1830 HZ2 LYS B 539 79.590 1.827 17.549 1.00 0.00 H ATOM 1831 HZ3 LYS B 539 79.629 1.169 15.983 1.00 0.00 H ATOM 1832 H LYS B 539 80.447 7.782 16.801 1.00 0.00 H ATOM 1833 N GLU B 540 81.827 6.687 14.051 1.00 23.52 N ATOM 1834 CA GLU B 540 82.013 6.340 12.641 1.00 24.09 C ATOM 1835 C GLU B 540 82.511 7.530 11.828 1.00 24.89 C ATOM 1836 O GLU B 540 83.432 7.403 11.018 1.00 25.44 O ATOM 1837 CB GLU B 540 80.691 5.867 12.034 1.00 24.95 C ATOM 1838 CG GLU B 540 80.235 4.494 12.470 1.00 25.74 C ATOM 1839 CD GLU B 540 81.181 3.393 12.041 1.00 26.21 C ATOM 1840 OE1 GLU B 540 81.744 3.477 10.925 1.00 27.22 O ATOM 1841 OE2 GLU B 540 81.351 2.430 12.814 1.00 27.70 O ATOM 1842 HA GLU B 540 82.758 5.546 12.604 1.00 0.00 H ATOM 1843 HB2 GLU B 540 79.917 6.583 12.312 1.00 0.00 H ATOM 1844 HB3 GLU B 540 80.803 5.857 10.950 1.00 0.00 H ATOM 1845 HG2 GLU B 540 80.158 4.482 13.557 1.00 0.00 H ATOM 1846 HG3 GLU B 540 79.255 4.299 12.035 1.00 0.00 H ATOM 1847 H GLU B 540 80.864 6.708 14.443 1.00 0.00 H ATOM 1848 N GLU B 541 81.878 8.678 12.039 1.00 25.46 N ATOM 1849 CA GLU B 541 82.226 9.905 11.334 1.00 25.72 C ATOM 1850 C GLU B 541 83.641 10.383 11.654 1.00 26.60 C ATOM 1851 O GLU B 541 84.176 11.259 10.970 1.00 26.95 O ATOM 1852 CB GLU B 541 81.218 10.996 11.671 1.00 25.90 C ATOM 1853 HA GLU B 541 82.196 9.686 10.267 1.00 0.00 H ATOM 1854 HB2 GLU B 541 80.222 10.675 11.367 1.00 0.00 H ATOM 1855 HB3 GLU B 541 81.230 11.181 12.745 1.00 0.00 H ATOM 1856 H GLU B 541 81.104 8.702 12.734 1.00 0.00 H ATOM 1857 N ALA B 542 84.244 9.810 12.691 1.00 27.28 N ATOM 1858 CA ALA B 542 85.597 10.186 13.096 1.00 28.18 C ATOM 1859 C ALA B 542 86.607 9.074 12.809 1.00 28.86 C ATOM 1860 O ALA B 542 87.822 9.303 12.821 1.00 29.33 O ATOM 1861 CB ALA B 542 85.611 10.533 14.579 1.00 27.54 C ATOM 1862 HA ALA B 542 85.892 11.057 12.510 1.00 0.00 H ATOM 1863 HB1 ALA B 542 84.933 11.367 14.762 1.00 0.00 H ATOM 1864 HB2 ALA B 542 85.288 9.667 15.157 1.00 0.00 H ATOM 1865 HB3 ALA B 542 86.622 10.813 14.876 1.00 0.00 H ATOM 1866 H ALA B 542 83.740 9.075 13.228 1.00 0.00 H ATOM 1867 N ILE B 543 86.102 7.869 12.560 1.00 29.93 N ATOM 1868 CA ILE B 543 86.950 6.717 12.274 1.00 30.74 C ATOM 1869 C ILE B 543 87.246 6.650 10.787 1.00 31.17 C ATOM 1870 O ILE B 543 88.425 6.438 10.431 1.00 31.81 O ATOM 1871 CB ILE B 543 86.269 5.433 12.731 1.00 30.47 C ATOM 1872 HA ILE B 543 87.888 6.826 12.819 1.00 0.00 H ATOM 1873 OXT ILE B 543 86.289 6.799 9.997 1.00 31.80 O ATOM 1874 HB ILE B 543 86.085 5.483 13.804 1.00 0.00 H ATOM 1875 H ILE B 543 85.070 7.744 12.570 1.00 0.00 H TER 1876 ILE B 543 HETATM 1877 ZN ZN A 1 59.153 -6.882 6.508 1.00 9.31 ZN HETATM 1878 ZN ZN A 2 71.815 0.012 7.371 1.00 12.17 ZN HETATM 1879 ZN ZN A 3 60.177 12.706 30.045 1.00 8.63 ZN HETATM 1880 ZN ZN A 4 71.783 5.169 25.818 1.00 9.07 ZN HETATM 1881 O HOH 5 56.358 0.006 5.633 1.00 13.17 O HETATM 1882 O HOH 6 59.561 -13.807 2.415 1.00 15.36 O HETATM 1883 O HOH 7 61.754 1.346 15.467 1.00 14.12 O HETATM 1884 O HOH 8 64.028 -3.052 14.638 1.00 14.47 O HETATM 1885 O HOH 9 64.402 -0.934 19.829 1.00 12.29 O HETATM 1886 O HOH 10 57.965 -4.250 19.504 1.00 14.70 O HETATM 1887 O HOH 11 55.030 -5.235 -3.362 1.00 15.46 O HETATM 1888 O HOH 12 65.116 -4.599 19.237 1.00 18.49 O HETATM 1889 O HOH 13 67.022 -6.745 -3.387 1.00 19.53 O HETATM 1890 O HOH 14 65.725 6.871 5.492 1.00 17.57 O HETATM 1891 O HOH 15 59.250 -3.994 -2.913 1.00 16.94 O HETATM 1892 O HOH 16 73.739 -3.775 6.418 1.00 20.39 O HETATM 1893 O HOH 17 58.625 -13.584 5.620 1.00 20.04 O HETATM 1894 O HOH 18 53.190 1.062 9.391 1.00 22.21 O HETATM 1895 O HOH 19 57.918 -5.548 14.113 1.00 21.92 O HETATM 1896 O HOH 20 54.047 -3.080 2.276 1.00 19.99 O HETATM 1897 O HOH 21 64.578 -3.679 -8.829 1.00 19.00 O HETATM 1898 O HOH 22 68.641 5.878 13.466 1.00 25.01 O HETATM 1899 O HOH 23 62.757 -7.772 18.746 1.00 29.29 O HETATM 1900 O HOH 24 66.886 -5.169 2.802 1.00 11.06 O HETATM 1901 O HOH 25 56.932 -3.541 -4.073 1.00 23.90 O HETATM 1902 O HOH 26 57.475 -6.705 18.361 1.00 19.46 O HETATM 1903 O HOH 27 61.843 3.962 15.391 1.00 30.04 O HETATM 1904 O HOH 28 67.633 -8.816 9.569 1.00 28.10 O HETATM 1905 O HOH 29 56.016 -12.503 6.328 1.00 26.12 O HETATM 1906 O HOH 30 65.783 -3.679 16.671 1.00 26.59 O HETATM 1907 O HOH 31 59.115 7.133 13.405 1.00 21.05 O HETATM 1908 O HOH 32 65.534 8.843 12.141 1.00 24.13 O HETATM 1909 O HOH 33 61.981 10.228 13.998 1.00 25.35 O HETATM 1910 O HOH 34 53.004 -4.990 -1.267 1.00 29.88 O HETATM 1911 O HOH 35 68.240 1.605 -5.475 1.00 26.51 O HETATM 1912 O HOH 36 74.658 -6.394 11.613 1.00 30.00 O HETATM 1913 O HOH 37 75.344 -1.437 1.807 1.00 29.32 O HETATM 1914 O HOH 38 67.659 -6.551 10.968 1.00 23.14 O HETATM 1915 O HOH 39 63.837 -4.907 12.767 1.00 24.21 O HETATM 1916 O HOH 40 62.366 3.783 17.585 1.00 30.59 O HETATM 1917 O HOH 41 60.465 -6.850 -3.109 1.00 20.79 O HETATM 1918 O HOH 42 66.469 5.566 14.878 1.00 28.11 O HETATM 1919 O HOH 43 54.965 -1.668 7.207 1.00 22.31 O HETATM 1920 O HOH 44 58.084 -6.985 16.087 1.00 19.73 O HETATM 1921 O HOH 45 65.801 -9.486 1.995 1.00 23.16 O HETATM 1922 O HOH 46 72.582 -6.545 2.398 1.00 28.92 O HETATM 1923 O HOH 47 61.182 -2.833 -3.507 1.00 24.05 O HETATM 1924 O HOH 48 70.706 7.190 14.392 1.00 26.91 O HETATM 1925 O HOH 49 77.666 1.635 9.426 1.00 27.46 O HETATM 1926 O HOH 50 56.724 6.212 30.059 1.00 9.70 O HETATM 1927 O HOH 51 58.110 -5.410 25.713 1.00 10.97 O HETATM 1928 O HOH 52 56.566 -4.089 22.009 1.00 11.96 O HETATM 1929 O HOH 53 55.132 7.970 33.811 1.00 13.62 O HETATM 1930 O HOH 54 65.976 -1.795 28.723 1.00 13.86 O HETATM 1931 O HOH 55 60.174 -7.297 26.207 1.00 13.18 O HETATM 1932 O HOH 56 66.804 0.910 19.444 1.00 17.45 O HETATM 1933 O HOH 57 64.576 18.693 27.142 1.00 14.35 O HETATM 1934 O HOH 58 82.465 10.144 23.444 1.00 18.55 O HETATM 1935 O HOH 59 71.018 12.519 29.185 1.00 22.84 O HETATM 1936 O HOH 60 66.411 5.587 20.007 1.00 19.47 O HETATM 1937 O HOH 61 53.432 8.111 18.254 1.00 19.14 O HETATM 1938 O HOH 62 74.772 6.025 36.703 1.00 17.54 O HETATM 1939 O HOH 63 69.623 -0.486 36.135 1.00 20.84 O HETATM 1940 O HOH 64 75.751 6.430 30.913 1.00 10.00 O HETATM 1941 O HOH 65 63.913 6.532 20.518 1.00 23.43 O HETATM 1942 O HOH 66 65.715 17.023 25.160 1.00 30.97 O HETATM 1943 O HOH 67 82.630 10.979 20.688 1.00 24.35 O HETATM 1944 O HOH 68 66.952 -7.294 20.173 1.00 31.72 O HETATM 1945 O HOH 69 60.931 6.780 19.379 1.00 24.84 O HETATM 1946 O HOH 70 62.355 13.867 22.111 1.00 31.62 O HETATM 1947 O HOH 71 65.650 3.201 18.467 1.00 21.43 O HETATM 1948 O HOH 72 62.530 4.559 19.868 1.00 27.98 O HETATM 1949 O HOH 73 64.092 11.669 22.630 1.00 28.55 O HETATM 1950 O HOH 74 68.059 9.845 32.141 1.00 10.29 O HETATM 1951 O HOH 75 72.960 5.383 15.504 1.00 25.61 O HETATM 1952 O HOH 76 55.740 0.134 32.928 1.00 20.99 O HETATM 1953 O HOH 77 69.588 -3.198 30.787 1.00 30.31 O HETATM 1954 O HOH 78 63.576 9.267 20.258 1.00 24.67 O HETATM 1955 O HOH 79 56.194 13.569 43.421 1.00 9.96 O HETATM 1956 O HOH 80 56.132 6.139 39.804 1.00 15.50 O HETATM 1957 O HOH 81 60.725 -6.492 28.833 1.00 18.95 O HETATM 1958 O HOH 82 62.712 11.844 45.810 1.00 21.23 O HETATM 1959 O HOH 83 58.957 -3.303 31.475 1.00 29.37 O HETATM 1960 O HOH 84 59.606 -0.662 38.645 1.00 23.81 O HETATM 1961 O HOH 85 52.883 3.052 35.605 1.00 17.48 O HETATM 1962 O HOH 86 56.093 4.383 41.863 1.00 24.90 O HETATM 1963 O HOH 87 58.395 -5.865 30.047 1.00 22.50 O HETATM 1964 O HOH 88 67.184 -2.918 30.713 1.00 32.79 O HETATM 1965 O HOH 89 62.745 14.900 43.402 1.00 22.58 O HETATM 1966 O HOH 90 56.266 -4.409 33.191 1.00 17.17 O HETATM 1967 O HOH 91 56.865 1.303 35.068 1.00 21.44 O HETATM 1968 O HOH 92 55.551 1.703 41.566 1.00 23.72 O HETATM 1969 N ALA A 93 63.119 -4.626 25.728 1.00 0.24 N HETATM 1970 CA ALA A 93 63.642 -3.528 26.586 1.00 0.06 C HETATM 1971 C ALA A 93 62.832 -3.527 27.865 1.00 0.23 C HETATM 1972 O ALA A 93 61.768 -4.131 27.919 1.00 -0.39 O HETATM 1973 N ALA A 93 63.324 -2.841 28.890 1.00 -0.26 N HETATM 1974 CA ALA A 93 62.635 -2.807 30.184 1.00 0.13 C HETATM 1975 C ALA A 93 62.339 -1.413 30.716 1.00 0.20 C HETATM 1976 O ALA A 93 63.064 -0.451 30.429 1.00 -0.39 O HETATM 1977 N ALA A 93 61.260 -1.315 31.482 1.00 -0.26 N HETATM 1978 CA ALA A 93 60.892 -0.059 32.116 1.00 0.16 C HETATM 1979 C ALA A 93 60.968 -0.267 33.608 1.00 0.21 C HETATM 1980 O ALA A 93 61.067 -1.394 34.098 1.00 -0.39 O HETATM 1981 N ALA A 93 60.923 0.843 34.326 1.00 -0.26 N HETATM 1982 CA ALA A 93 60.909 0.804 35.770 1.00 0.13 C HETATM 1983 C ALA A 93 59.993 1.933 36.171 1.00 0.20 C HETATM 1984 O ALA A 93 59.806 2.886 35.410 1.00 -0.39 O HETATM 1985 N ALA A 93 59.385 1.800 37.342 1.00 -0.26 N HETATM 1986 CA ALA A 93 58.504 2.826 37.859 1.00 0.13 C HETATM 1987 C ALA A 93 59.240 3.489 39.020 1.00 0.20 C HETATM 1988 O ALA A 93 59.589 2.832 40.006 1.00 -0.39 O HETATM 1989 N ALA A 93 59.492 4.789 38.893 1.00 -0.26 N HETATM 1990 CA ALA A 93 60.207 5.533 39.926 1.00 0.16 C HETATM 1991 C ALA A 93 59.413 6.780 40.283 1.00 0.21 C HETATM 1992 O ALA A 93 58.995 7.516 39.401 1.00 -0.39 O HETATM 1993 N ALA A 93 59.216 7.022 41.574 1.00 -0.26 N HETATM 1994 CA ALA A 93 58.455 8.184 42.017 1.00 0.13 C HETATM 1995 C ALA A 93 59.263 9.073 42.942 1.00 0.20 C HETATM 1996 O ALA A 93 59.302 8.855 44.156 1.00 -0.39 O HETATM 1997 N ALA A 93 59.909 10.074 42.364 1.00 -0.26 N HETATM 1998 CA ALA A 93 60.686 11.013 43.151 1.00 0.13 C HETATM 1999 C ALA A 93 59.711 12.044 43.726 1.00 0.20 C HETATM 2000 O ALA A 93 58.637 12.279 43.159 1.00 -0.39 O HETATM 2001 N ALA A 93 60.074 12.637 44.859 1.00 -0.26 N HETATM 2002 CA ALA A 93 59.204 13.588 45.548 1.00 0.13 C HETATM 2003 C ALA A 93 59.114 15.005 44.995 1.00 0.20 C HETATM 2004 O ALA A 93 60.066 15.518 44.400 1.00 -0.39 O HETATM 2005 N ALA A 93 57.963 15.640 45.229 1.00 -0.27 N HETATM 2006 CA ALA A 93 57.685 16.996 44.758 1.00 0.12 C HETATM 2007 C ALA A 93 57.454 17.950 45.925 1.00 0.06 C HETATM 2008 O ALA A 93 56.922 17.513 46.969 1.00 -0.57 O HETATM 2009 OXT ALA A 93 57.773 19.138 45.766 1.00 -0.57 O HETATM 2010 CB ALA A 93 56.430 16.999 43.873 1.00 0.08 C HETATM 2011 OG ALA A 93 56.592 16.141 42.749 1.00 -0.39 O HETATM 2012 H91 ALA A 93 56.750 15.254 43.050 1.00 0.21 H HETATM 2013 H89 ALA A 93 56.243 18.023 43.519 1.00 0.06 H HETATM 2014 H90 ALA A 93 55.571 16.654 44.467 1.00 0.06 H HETATM 2015 H88 ALA A 93 58.545 17.349 44.170 1.00 0.07 H HETATM 2016 H87 ALA A 93 57.256 15.165 45.752 1.00 0.19 H HETATM 2017 CB ALA A 93 59.587 13.633 47.035 1.00 -0.01 C HETATM 2018 CG ALA A 93 59.519 12.280 47.743 1.00 -0.04 C HETATM 2019 CD ALA A 93 60.106 12.360 49.147 1.00 -0.01 C HETATM 2020 CE ALA A 93 60.532 10.992 49.662 1.00 -0.04 C HETATM 2021 NZ ALA A 93 61.125 11.070 51.036 1.00 0.22 N HETATM 2022 H84 ALA A 93 61.393 10.147 51.339 1.00 0.20 H HETATM 2023 H85 ALA A 93 60.444 11.449 51.675 1.00 0.20 H HETATM 2024 H86 ALA A 93 61.937 11.667 51.018 1.00 0.20 H HETATM 2025 H82 ALA A 93 61.281 10.571 48.975 1.00 0.08 H HETATM 2026 H83 ALA A 93 59.651 10.334 49.692 1.00 0.08 H HETATM 2027 H80 ALA A 93 59.347 12.776 49.827 1.00 0.03 H HETATM 2028 H81 ALA A 93 60.984 13.022 49.128 1.00 0.03 H HETATM 2029 H78 ALA A 93 60.087 11.541 47.159 1.00 0.03 H HETATM 2030 H79 ALA A 93 58.468 11.964 47.812 1.00 0.03 H HETATM 2031 H76 ALA A 93 58.901 14.324 47.547 1.00 0.03 H HETATM 2032 H77 ALA A 93 60.617 14.012 47.114 1.00 0.03 H HETATM 2033 H75 ALA A 93 58.187 13.174 45.479 1.00 0.08 H HETATM 2034 H74 ALA A 93 60.969 12.426 45.252 1.00 0.19 H HETATM 2035 CB ALA A 93 61.770 11.657 42.284 1.00 -0.01 C HETATM 2036 CG ALA A 93 62.837 10.657 41.822 1.00 -0.02 C HETATM 2037 CD ALA A 93 63.604 10.044 43.007 1.00 0.06 C HETATM 2038 NE ALA A 93 64.542 10.994 43.596 1.00 -0.27 N HETATM 2039 CZ ALA A 93 65.847 11.014 43.336 1.00 0.29 C HETATM 2040 NH1 ALA A 93 66.627 11.923 43.904 1.00 -0.28 N HETATM 2041 H70 ALA A 93 67.637 11.935 43.700 1.00 0.26 H HETATM 2042 H71 ALA A 93 66.224 12.617 44.549 1.00 0.26 H HETATM 2043 NH2 ALA A 93 66.375 10.105 42.531 1.00 -0.28 N HETATM 2044 H72 ALA A 93 65.772 9.397 42.088 1.00 0.26 H HETATM 2045 H73 ALA A 93 67.389 10.106 42.348 1.00 0.26 H HETATM 2046 H69 ALA A 93 64.171 11.693 44.255 1.00 0.26 H HETATM 2047 H67 ALA A 93 64.163 9.165 42.653 1.00 0.07 H HETATM 2048 H68 ALA A 93 62.882 9.734 43.776 1.00 0.07 H HETATM 2049 H65 ALA A 93 63.552 11.177 41.167 1.00 0.03 H HETATM 2050 H66 ALA A 93 62.346 9.848 41.260 1.00 0.03 H HETATM 2051 H63 ALA A 93 62.261 12.450 42.867 1.00 0.03 H HETATM 2052 H64 ALA A 93 61.294 12.097 41.396 1.00 0.03 H HETATM 2053 H62 ALA A 93 61.174 10.480 43.980 1.00 0.08 H HETATM 2054 H61 ALA A 93 59.861 10.184 41.371 1.00 0.19 H HETATM 2055 CB ALA A 93 57.174 7.733 42.707 1.00 -0.02 C HETATM 2056 H58 ALA A 93 56.606 8.615 43.038 1.00 0.03 H HETATM 2057 H59 ALA A 93 57.426 7.111 43.578 1.00 0.03 H HETATM 2058 H60 ALA A 93 56.565 7.147 42.003 1.00 0.03 H HETATM 2059 H57 ALA A 93 58.183 8.774 41.129 1.00 0.08 H HETATM 2060 H56 ALA A 93 59.597 6.396 42.255 1.00 0.19 H HETATM 2061 CB ALA A 93 61.602 5.973 39.437 1.00 0.09 C HETATM 2062 OG1 ALA A 93 62.385 4.819 39.085 1.00 -0.39 O HETATM 2063 H52 ALA A 93 63.242 5.099 38.785 1.00 0.21 H HETATM 2064 CG2 ALA A 93 62.314 6.755 40.513 1.00 -0.03 C HETATM 2065 H53 ALA A 93 63.306 7.061 40.149 1.00 0.03 H HETATM 2066 H54 ALA A 93 62.430 6.126 41.408 1.00 0.03 H HETATM 2067 H55 ALA A 93 61.725 7.649 40.767 1.00 0.03 H HETATM 2068 H51 ALA A 93 61.483 6.612 38.549 1.00 0.06 H HETATM 2069 H50 ALA A 93 60.318 4.896 40.816 1.00 0.08 H HETATM 2070 H49 ALA A 93 59.184 5.268 38.071 1.00 0.19 H HETATM 2071 CB ALA A 93 57.189 2.207 38.334 1.00 0.00 C HETATM 2072 CG ALA A 93 56.125 3.237 38.658 1.00 0.04 C HETATM 2073 CD ALA A 93 55.557 3.917 37.420 1.00 0.17 C HETATM 2074 OE1 ALA A 93 55.180 5.095 37.460 1.00 -0.40 O HETATM 2075 NE2 ALA A 93 55.466 3.171 36.325 1.00 -0.30 N HETATM 2076 H47 ALA A 93 55.100 3.564 35.481 1.00 0.18 H HETATM 2077 H48 ALA A 93 55.763 2.216 36.344 1.00 0.18 H HETATM 2078 H45 ALA A 93 56.568 4.006 39.308 1.00 0.05 H HETATM 2079 H46 ALA A 93 55.303 2.736 39.191 1.00 0.05 H HETATM 2080 H43 ALA A 93 57.389 1.615 39.239 1.00 0.03 H HETATM 2081 H44 ALA A 93 56.807 1.548 37.541 1.00 0.03 H HETATM 2082 H42 ALA A 93 58.292 3.569 37.076 1.00 0.08 H HETATM 2083 H41 ALA A 93 59.539 0.972 37.881 1.00 0.19 H HETATM 2084 CB ALA A 93 62.306 1.021 36.351 1.00 -0.01 C HETATM 2085 CG ALA A 93 62.880 2.399 36.150 1.00 -0.04 C HETATM 2086 CD ALA A 93 64.195 2.512 36.896 1.00 -0.01 C HETATM 2087 CE ALA A 93 64.825 3.874 36.716 1.00 -0.04 C HETATM 2088 NZ ALA A 93 66.011 4.024 37.609 1.00 0.22 N HETATM 2089 H38 ALA A 93 66.418 4.936 37.476 1.00 0.20 H HETATM 2090 H39 ALA A 93 66.692 3.316 37.384 1.00 0.20 H HETATM 2091 H40 ALA A 93 65.724 3.921 38.570 1.00 0.20 H HETATM 2092 H36 ALA A 93 64.086 4.650 36.963 1.00 0.08 H HETATM 2093 H37 ALA A 93 65.143 3.990 35.669 1.00 0.08 H HETATM 2094 H34 ALA A 93 64.887 1.746 36.516 1.00 0.03 H HETATM 2095 H35 ALA A 93 64.013 2.342 37.967 1.00 0.03 H HETATM 2096 H32 ALA A 93 62.174 3.150 36.535 1.00 0.03 H HETATM 2097 H33 ALA A 93 63.051 2.572 35.077 1.00 0.03 H HETATM 2098 H30 ALA A 93 62.987 0.297 35.879 1.00 0.03 H HETATM 2099 H31 ALA A 93 62.258 0.827 37.433 1.00 0.03 H HETATM 2100 H29 ALA A 93 60.515 -0.160 36.124 1.00 0.08 H HETATM 2101 H28 ALA A 93 60.898 1.727 33.860 1.00 0.19 H HETATM 2102 CB ALA A 93 59.451 0.362 31.827 1.00 0.09 C HETATM 2103 OG1 ALA A 93 58.554 -0.692 32.201 1.00 -0.39 O HETATM 2104 H24 ALA A 93 58.760 -1.474 31.702 1.00 0.21 H HETATM 2105 CG2 ALA A 93 59.274 0.697 30.371 1.00 -0.03 C HETATM 2106 H25 ALA A 93 58.231 0.996 30.188 1.00 0.03 H HETATM 2107 H26 ALA A 93 59.515 -0.185 29.760 1.00 0.03 H HETATM 2108 H27 ALA A 93 59.946 1.525 30.101 1.00 0.03 H HETATM 2109 H23 ALA A 93 59.218 1.256 32.424 1.00 0.06 H HETATM 2110 H22 ALA A 93 61.584 0.733 31.792 1.00 0.08 H HETATM 2111 H21 ALA A 93 60.688 -2.122 31.626 1.00 0.19 H HETATM 2112 CB ALA A 93 63.473 -3.548 31.235 1.00 -0.01 C HETATM 2113 CG ALA A 93 63.804 -4.976 30.865 1.00 -0.02 C HETATM 2114 CD ALA A 93 64.555 -5.647 31.995 1.00 0.06 C HETATM 2115 NE ALA A 93 65.826 -4.989 32.283 1.00 -0.27 N HETATM 2116 CZ ALA A 93 66.306 -4.801 33.510 1.00 0.29 C HETATM 2117 NH1 ALA A 93 65.621 -5.217 34.569 1.00 -0.28 N HETATM 2118 H17 ALA A 93 65.997 -5.069 35.516 1.00 0.26 H HETATM 2119 H18 ALA A 93 64.714 -5.688 34.443 1.00 0.26 H HETATM 2120 NH2 ALA A 93 67.472 -4.195 33.683 1.00 -0.28 N HETATM 2121 H19 ALA A 93 68.009 -3.869 32.867 1.00 0.26 H HETATM 2122 H20 ALA A 93 67.841 -4.050 34.634 1.00 0.26 H HETATM 2123 H16 ALA A 93 66.386 -4.649 31.488 1.00 0.26 H HETATM 2124 H14 ALA A 93 64.753 -6.692 31.716 1.00 0.07 H HETATM 2125 H15 ALA A 93 63.930 -5.621 32.900 1.00 0.07 H HETATM 2126 H12 ALA A 93 64.429 -4.981 29.960 1.00 0.03 H HETATM 2127 H13 ALA A 93 62.872 -5.527 30.671 1.00 0.03 H HETATM 2128 H10 ALA A 93 62.911 -3.558 32.181 1.00 0.03 H HETATM 2129 H11 ALA A 93 64.416 -3.000 31.374 1.00 0.03 H HETATM 2130 H9 ALA A 93 61.675 -3.330 30.061 1.00 0.08 H HETATM 2131 H8 ALA A 93 64.181 -2.338 28.777 1.00 0.19 H HETATM 2132 CB ALA A 93 63.513 -2.194 25.867 1.00 -0.00 C HETATM 2133 H5 ALA A 93 63.902 -1.391 26.511 1.00 0.03 H HETATM 2134 H6 ALA A 93 62.454 -2.001 25.640 1.00 0.03 H HETATM 2135 H7 ALA A 93 64.089 -2.225 24.930 1.00 0.03 H HETATM 2136 H4 ALA A 93 64.701 -3.711 26.819 1.00 0.11 H HETATM 2137 H1 ALA A 93 63.639 -4.654 24.865 1.00 0.20 H HETATM 2138 H2 ALA A 93 62.145 -4.461 25.528 1.00 0.20 H HETATM 2139 H3 ALA A 93 63.219 -5.506 26.210 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 107 106 111 1877 CONECT 145 144 149 1877 CONECT 292 291 296 1878 CONECT 329 328 333 1878 CONECT 413 412 415 1877 CONECT 459 458 463 1877 CONECT 706 705 710 1878 CONECT 755 754 759 1878 CONECT 931 932 946 947 948 CONECT 946 931 CONECT 947 931 CONECT 948 931 CONECT 1053 1052 1057 1879 CONECT 1091 1090 1095 1879 CONECT 1238 1237 1242 1880 CONECT 1275 1274 1279 1880 CONECT 1359 1358 1361 1879 CONECT 1405 1404 1409 1879 CONECT 1652 1651 1656 1880 CONECT 1701 1700 1705 1880 CONECT 1877 107 145 413 459 CONECT 1878 292 329 706 755 CONECT 1879 1053 1091 1359 1405 CONECT 1880 1238 1275 1652 1701 CONECT 1969 1970 2137 2138 2139 CONECT 1970 1969 1971 2132 2136 CONECT 1971 1970 1972 1973 CONECT 1972 1971 CONECT 1973 1971 1974 2131 CONECT 1974 1973 1975 2112 2130 CONECT 1975 1974 1976 1977 CONECT 1976 1975 CONECT 1977 1975 1978 2111 CONECT 1978 1977 1979 2102 2110 CONECT 1979 1978 1980 1981 CONECT 1980 1979 CONECT 1981 1979 1982 2101 CONECT 1982 1981 1983 2084 2100 CONECT 1983 1982 1984 1985 CONECT 1984 1983 CONECT 1985 1983 1986 2083 CONECT 1986 1985 1987 2071 2082 CONECT 1987 1986 1988 1989 CONECT 1988 1987 CONECT 1989 1987 1990 2070 CONECT 1990 1989 1991 2061 2069 CONECT 1991 1990 1992 1993 CONECT 1992 1991 CONECT 1993 1991 1994 2060 CONECT 1994 1993 1995 2055 2059 CONECT 1995 1994 1996 1997 CONECT 1996 1995 CONECT 1997 1995 1998 2054 CONECT 1998 1997 1999 2035 2053 CONECT 1999 1998 2000 2001 CONECT 2000 1999 CONECT 2001 1999 2002 2034 CONECT 2002 2001 2003 2017 2033 CONECT 2003 2002 2004 2005 CONECT 2004 2003 CONECT 2005 2003 2006 2016 CONECT 2006 2005 2007 2010 2015 CONECT 2007 2006 2008 2009 CONECT 2008 2007 CONECT 2009 2007 CONECT 2010 2006 2011 2013 2014 CONECT 2011 2010 2012 CONECT 2012 2011 CONECT 2013 2010 CONECT 2014 2010 CONECT 2015 2006 CONECT 2016 2005 CONECT 2017 2002 2018 2031 2032 CONECT 2018 2017 2019 2029 2030 CONECT 2019 2018 2020 2027 2028 CONECT 2020 2019 2021 2025 2026 CONECT 2021 2020 2022 2023 2024 CONECT 2022 2021 CONECT 2023 2021 CONECT 2024 2021 CONECT 2025 2020 CONECT 2026 2020 CONECT 2027 2019 CONECT 2028 2019 CONECT 2029 2018 CONECT 2030 2018 CONECT 2031 2017 CONECT 2032 2017 CONECT 2033 2002 CONECT 2034 2001 CONECT 2035 1998 2036 2051 2052 CONECT 2036 2035 2037 2049 2050 CONECT 2037 2036 2038 2047 2048 CONECT 2038 2037 2039 2046 CONECT 2039 2038 2040 2043 CONECT 2040 2039 2041 2042 CONECT 2041 2040 CONECT 2042 2040 CONECT 2043 2039 2044 2045 CONECT 2044 2043 CONECT 2045 2043 CONECT 2046 2038 CONECT 2047 2037 CONECT 2048 2037 CONECT 2049 2036 CONECT 2050 2036 CONECT 2051 2035 CONECT 2052 2035 CONECT 2053 1998 CONECT 2054 1997 CONECT 2055 1994 2056 2057 2058 CONECT 2056 2055 CONECT 2057 2055 CONECT 2058 2055 CONECT 2059 1994 CONECT 2060 1993 CONECT 2061 1990 2062 2064 2068 CONECT 2062 2061 2063 CONECT 2063 2062 CONECT 2064 2061 2065 2066 2067 CONECT 2065 2064 CONECT 2066 2064 CONECT 2067 2064 CONECT 2068 2061 CONECT 2069 1990 CONECT 2070 1989 CONECT 2071 1986 2072 2080 2081 CONECT 2072 2071 2073 2078 2079 CONECT 2073 2072 2074 2075 CONECT 2074 2073 CONECT 2075 2073 2076 2077 CONECT 2076 2075 CONECT 2077 2075 CONECT 2078 2072 CONECT 2079 2072 CONECT 2080 2071 CONECT 2081 2071 CONECT 2082 1986 CONECT 2083 1985 CONECT 2084 1982 2085 2098 2099 CONECT 2085 2084 2086 2096 2097 CONECT 2086 2085 2087 2094 2095 CONECT 2087 2086 2088 2092 2093 CONECT 2088 2087 2089 2090 2091 CONECT 2089 2088 CONECT 2090 2088 CONECT 2091 2088 CONECT 2092 2087 CONECT 2093 2087 CONECT 2094 2086 CONECT 2095 2086 CONECT 2096 2085 CONECT 2097 2085 CONECT 2098 2084 CONECT 2099 2084 CONECT 2100 1982 CONECT 2101 1981 CONECT 2102 1978 2103 2105 2109 CONECT 2103 2102 2104 CONECT 2104 2103 CONECT 2105 2102 2106 2107 2108 CONECT 2106 2105 CONECT 2107 2105 CONECT 2108 2105 CONECT 2109 2102 CONECT 2110 1978 CONECT 2111 1977 CONECT 2112 1974 2113 2128 2129 CONECT 2113 2112 2114 2126 2127 CONECT 2114 2113 2115 2124 2125 CONECT 2115 2114 2116 2123 CONECT 2116 2115 2117 2120 CONECT 2117 2116 2118 2119 CONECT 2118 2117 CONECT 2119 2117 CONECT 2120 2116 2121 2122 CONECT 2121 2120 CONECT 2122 2120 CONECT 2123 2115 CONECT 2124 2114 CONECT 2125 2114 CONECT 2126 2113 CONECT 2127 2113 CONECT 2128 2112 CONECT 2129 2112 CONECT 2130 1974 CONECT 2131 1973 CONECT 2132 1970 2133 2134 2135 CONECT 2133 2132 CONECT 2134 2132 CONECT 2135 2132 CONECT 2136 1970 CONECT 2137 1969 CONECT 2138 1969 CONECT 2139 1969 MASTER 0 0 0 0 0 0 0 0 2137 2 199 10 END
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Entry Information
PDB ID
2puy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
BHC80 PHD domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.43(Å)
Affinity (Kd/Ki/IC50)
Kd=30uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Nature Vol. 448: pp. 718-722
Ligand Properties
Formula
C
4
6
H
9
2
N
1
9
O
1
5
Molecular Weight
1151.340
Exact Mass
1150.700
No. of atoms
172
No. of bonds
171
Polar Surface Area
617.92
LOGP Value
-6.50 (
Computed with XLOGP3
)
-8.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCC[NH3+])CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C46H87N19O15/c1-22(49)35(70)58-29(14-10-20-56-46(53)54)40(75)65-34(25(4)68)43(78)62-27(12-6-8-18-48)37(72)61-30(15-16-32(50)69)41(76)64-33(24(3)67)42(77)57-23(2)36(71)59-28(13-9-19-55-45(51)52)38(73)60-26(11-5-7-17-47)39(74)63-31(21-66)44(79)80/h22-31,33-34,66-68H,5-21,47-49H2,1-4H3,(H2,50,69)(H,57,77)(H,58,70)(H,59,71)(H,60,73)(H,61,72)(H,62,78)(H,63,74)(H,64,76)(H,65,75)(H,79,80)(H4,51,52,55)(H4,53,54,56)/p+5/t22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,33-,34-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96BD5
Q6NXT2
Entrez Gene ID
NCBI Entrez Gene ID:
51317
440093
ASD
Information of known allosteric effects of PDB entries
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