USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 288 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 485 MET CE :methyl -166:sc= -1.68 (180deg=-1.94!) USER MOD Single : A 490 ASN : amide:sc= -3.31! C(o=-3.3!,f=-11!) USER MOD Single : A 496 TYR OH : rot 30:sc= 0 USER MOD Single : A 498 HIS : +bothHN:sc= -5.91! C(o=-5.9!,f=-9.8!) USER MOD Single : A 499 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 500 THR OG1 : rot -52:sc= -0.329 USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 502 THR OG1 : rot 180:sc= 0 USER MOD Single : A 503 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 504 THR OG1 : rot 170:sc= -0.0241 USER MOD Single : B 206 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 29 N PHE A 478 -10.400 0.290 3.071 1.00 15.00 N ATOM 30 CA PHE A 478 -10.648 0.476 1.627 1.00 15.00 C ATOM 31 C PHE A 478 -10.233 -0.855 1.063 1.00 15.00 C ATOM 32 O PHE A 478 -10.704 -1.353 0.043 1.00 15.00 O ATOM 33 CB PHE A 478 -9.585 1.289 0.888 1.00 15.00 C ATOM 34 CG PHE A 478 -8.849 2.246 1.721 1.00 15.00 C ATOM 35 CD1 PHE A 478 -9.403 2.965 2.758 1.00 15.00 C ATOM 36 CD2 PHE A 478 -7.475 2.215 1.571 1.00 15.00 C ATOM 37 CE1 PHE A 478 -8.570 3.621 3.634 1.00 15.00 C ATOM 38 CE2 PHE A 478 -6.678 2.887 2.391 1.00 15.00 C ATOM 39 CZ PHE A 478 -7.203 3.570 3.426 1.00 15.00 C ATOM 0 HA PHE A 478 -11.648 0.897 1.522 1.00 15.00 H new ATOM 0 HB2 PHE A 478 -8.872 0.600 0.435 1.00 15.00 H new ATOM 0 HB3 PHE A 478 -10.065 1.832 0.074 1.00 15.00 H new ATOM 0 HD1 PHE A 478 -10.475 3.013 2.881 1.00 15.00 H new ATOM 0 HD2 PHE A 478 -7.042 1.633 0.771 1.00 15.00 H new ATOM 0 HE1 PHE A 478 -8.977 4.168 4.472 1.00 15.00 H new ATOM 0 HE2 PHE A 478 -5.610 2.886 2.229 1.00 15.00 H new ATOM 0 HZ PHE A 478 -6.544 4.088 4.107 1.00 15.00 H new ATOM 49 N LEU A 479 -9.247 -1.352 1.804 1.00 15.00 N ATOM 50 CA LEU A 479 -8.028 -1.875 1.252 1.00 15.00 C ATOM 51 C LEU A 479 -7.727 -3.260 1.846 1.00 15.00 C ATOM 52 O LEU A 479 -7.980 -3.495 3.027 1.00 15.00 O ATOM 53 CB LEU A 479 -6.943 -0.762 1.521 1.00 15.00 C ATOM 54 CG LEU A 479 -5.567 -0.938 0.882 1.00 15.00 C ATOM 55 CD1 LEU A 479 -5.570 -0.299 -0.485 1.00 15.00 C ATOM 56 CD2 LEU A 479 -4.469 -0.293 1.707 1.00 15.00 C ATOM 0 H LEU A 479 -9.286 -1.398 2.822 1.00 15.00 H new ATOM 0 HA LEU A 479 -8.068 -2.067 0.180 1.00 15.00 H new ATOM 0 HB2 LEU A 479 -7.350 0.191 1.182 1.00 15.00 H new ATOM 0 HB3 LEU A 479 -6.804 -0.684 2.599 1.00 15.00 H new ATOM 0 HG LEU A 479 -5.368 -2.008 0.820 1.00 15.00 H new ATOM 0 HD11 LEU A 479 -4.590 -0.422 -0.946 1.00 15.00 H new ATOM 0 HD12 LEU A 479 -6.326 -0.776 -1.108 1.00 15.00 H new ATOM 0 HD13 LEU A 479 -5.796 0.763 -0.390 1.00 15.00 H new ATOM 0 HD21 LEU A 479 -3.508 -0.443 1.215 1.00 15.00 H new ATOM 0 HD22 LEU A 479 -4.665 0.775 1.802 1.00 15.00 H new ATOM 0 HD23 LEU A 479 -4.444 -0.747 2.698 1.00 15.00 H new ATOM 68 N PRO A 480 -7.152 -4.170 1.024 1.00 15.00 N ATOM 69 CA PRO A 480 -7.044 -5.619 1.339 1.00 15.00 C ATOM 70 C PRO A 480 -6.243 -5.895 2.635 1.00 15.00 C ATOM 71 O PRO A 480 -5.623 -4.992 3.194 1.00 15.00 O ATOM 72 CB PRO A 480 -6.284 -6.198 0.123 1.00 15.00 C ATOM 73 CG PRO A 480 -6.220 -5.134 -0.920 1.00 15.00 C ATOM 74 CD PRO A 480 -6.544 -3.824 -0.272 1.00 15.00 C ATOM 0 HA PRO A 480 -8.026 -6.061 1.508 1.00 15.00 H new ATOM 0 HB2 PRO A 480 -5.281 -6.511 0.412 1.00 15.00 H new ATOM 0 HB3 PRO A 480 -6.794 -7.081 -0.262 1.00 15.00 H new ATOM 0 HG2 PRO A 480 -5.227 -5.101 -1.369 1.00 15.00 H new ATOM 0 HG3 PRO A 480 -6.926 -5.346 -1.723 1.00 15.00 H new ATOM 0 HD2 PRO A 480 -5.647 -3.220 -0.137 1.00 15.00 H new ATOM 0 HD3 PRO A 480 -7.231 -3.241 -0.885 1.00 15.00 H new ATOM 82 N PRO A 481 -6.227 -7.158 3.115 1.00 15.00 N ATOM 83 CA PRO A 481 -5.498 -7.563 4.341 1.00 15.00 C ATOM 84 C PRO A 481 -3.970 -7.656 4.161 1.00 15.00 C ATOM 85 O PRO A 481 -3.295 -8.402 4.872 1.00 15.00 O ATOM 86 CB PRO A 481 -6.069 -8.957 4.649 1.00 15.00 C ATOM 87 CG PRO A 481 -7.249 -9.120 3.752 1.00 15.00 C ATOM 88 CD PRO A 481 -6.954 -8.293 2.541 1.00 15.00 C ATOM 0 HA PRO A 481 -5.634 -6.825 5.132 1.00 15.00 H new ATOM 0 HB2 PRO A 481 -5.327 -9.733 4.464 1.00 15.00 H new ATOM 0 HB3 PRO A 481 -6.360 -9.038 5.696 1.00 15.00 H new ATOM 0 HG2 PRO A 481 -7.396 -10.166 3.485 1.00 15.00 H new ATOM 0 HG3 PRO A 481 -8.163 -8.784 4.242 1.00 15.00 H new ATOM 0 HD2 PRO A 481 -6.352 -8.837 1.813 1.00 15.00 H new ATOM 0 HD3 PRO A 481 -7.864 -7.978 2.031 1.00 15.00 H new ATOM 96 N GLY A 482 -3.429 -6.861 3.249 1.00 15.00 N ATOM 97 CA GLY A 482 -1.998 -6.824 3.016 1.00 15.00 C ATOM 98 C GLY A 482 -1.469 -5.473 3.325 1.00 15.00 C ATOM 99 O GLY A 482 -0.299 -5.221 3.178 1.00 15.00 O ATOM 0 H GLY A 482 -3.967 -6.229 2.656 1.00 15.00 H new ATOM 0 HA2 GLY A 482 -1.501 -7.569 3.637 1.00 15.00 H new ATOM 0 HA3 GLY A 482 -1.783 -7.079 1.978 1.00 15.00 H new ATOM 103 N TRP A 483 -2.334 -4.590 3.744 1.00 15.00 N ATOM 104 CA TRP A 483 -2.184 -3.244 3.283 1.00 15.00 C ATOM 105 C TRP A 483 -2.097 -2.176 4.329 1.00 15.00 C ATOM 106 O TRP A 483 -2.953 -2.015 5.196 1.00 15.00 O ATOM 107 CB TRP A 483 -3.281 -2.995 2.290 1.00 15.00 C ATOM 108 CG TRP A 483 -3.131 -3.952 1.175 1.00 15.00 C ATOM 109 CD1 TRP A 483 -3.791 -5.106 0.977 1.00 15.00 C ATOM 110 CD2 TRP A 483 -2.172 -3.896 0.162 1.00 15.00 C ATOM 111 NE1 TRP A 483 -3.302 -5.754 -0.107 1.00 15.00 N ATOM 112 CE2 TRP A 483 -2.335 -5.032 -0.615 1.00 15.00 C ATOM 113 CE3 TRP A 483 -1.206 -3.004 -0.180 1.00 15.00 C ATOM 114 CZ2 TRP A 483 -1.599 -5.313 -1.683 1.00 15.00 C ATOM 115 CZ3 TRP A 483 -0.442 -3.285 -1.268 1.00 15.00 C ATOM 116 CH2 TRP A 483 -0.635 -4.432 -2.019 1.00 15.00 C ATOM 0 H TRP A 483 -3.115 -4.768 4.375 1.00 15.00 H new ATOM 0 HA TRP A 483 -1.197 -3.166 2.827 1.00 15.00 H new ATOM 0 HB2 TRP A 483 -4.255 -3.115 2.764 1.00 15.00 H new ATOM 0 HB3 TRP A 483 -3.231 -1.971 1.920 1.00 15.00 H new ATOM 0 HD1 TRP A 483 -4.599 -5.466 1.596 1.00 15.00 H new ATOM 0 HE1 TRP A 483 -3.631 -6.650 -0.466 1.00 15.00 H new ATOM 0 HE3 TRP A 483 -1.051 -2.102 0.393 1.00 15.00 H new ATOM 0 HZ2 TRP A 483 -1.765 -6.211 -2.260 1.00 15.00 H new ATOM 0 HZ3 TRP A 483 0.337 -2.595 -1.555 1.00 15.00 H new ATOM 0 HH2 TRP A 483 -0.010 -4.622 -2.879 1.00 15.00 H new ATOM 127 N GLU A 484 -1.025 -1.440 4.167 1.00 15.00 N ATOM 128 CA GLU A 484 -0.741 -0.255 4.932 1.00 15.00 C ATOM 129 C GLU A 484 -1.021 0.946 4.050 1.00 15.00 C ATOM 130 O GLU A 484 -0.323 1.156 3.057 1.00 15.00 O ATOM 131 CB GLU A 484 0.738 -0.240 5.347 1.00 15.00 C ATOM 132 CG GLU A 484 1.000 0.168 6.778 1.00 15.00 C ATOM 133 CD GLU A 484 -0.112 -0.233 7.724 1.00 15.00 C ATOM 134 OE1 GLU A 484 -0.088 -1.385 8.218 1.00 15.00 O ATOM 135 OE2 GLU A 484 -1.015 0.588 7.969 1.00 15.00 O ATOM 0 H GLU A 484 -0.305 -1.657 3.478 1.00 15.00 H new ATOM 0 HA GLU A 484 -1.359 -0.232 5.830 1.00 15.00 H new ATOM 0 HB2 GLU A 484 1.154 -1.235 5.188 1.00 15.00 H new ATOM 0 HB3 GLU A 484 1.277 0.440 4.687 1.00 15.00 H new ATOM 0 HG2 GLU A 484 1.934 -0.283 7.113 1.00 15.00 H new ATOM 0 HG3 GLU A 484 1.134 1.249 6.822 1.00 15.00 H new ATOM 142 N MET A 485 -2.050 1.704 4.367 1.00 15.00 N ATOM 143 CA MET A 485 -2.292 2.938 3.659 1.00 15.00 C ATOM 144 C MET A 485 -1.561 4.050 4.366 1.00 15.00 C ATOM 145 O MET A 485 -1.955 4.477 5.453 1.00 15.00 O ATOM 146 CB MET A 485 -3.773 3.280 3.584 1.00 15.00 C ATOM 147 CG MET A 485 -4.071 4.501 2.712 1.00 15.00 C ATOM 148 SD MET A 485 -3.798 6.081 3.541 1.00 15.00 S ATOM 149 CE MET A 485 -4.335 7.213 2.260 1.00 15.00 C ATOM 0 H MET A 485 -2.724 1.489 5.102 1.00 15.00 H new ATOM 0 HA MET A 485 -1.932 2.817 2.637 1.00 15.00 H new ATOM 0 HB2 MET A 485 -4.317 2.421 3.192 1.00 15.00 H new ATOM 0 HB3 MET A 485 -4.148 3.462 4.591 1.00 15.00 H new ATOM 0 HG2 MET A 485 -3.447 4.458 1.820 1.00 15.00 H new ATOM 0 HG3 MET A 485 -5.108 4.452 2.378 1.00 15.00 H new ATOM 0 HE1 MET A 485 -4.005 8.223 2.505 1.00 15.00 H new ATOM 0 HE2 MET A 485 -3.905 6.912 1.305 1.00 15.00 H new ATOM 0 HE3 MET A 485 -5.423 7.194 2.190 1.00 15.00 H new ATOM 159 N ARG A 486 -0.463 4.469 3.785 1.00 15.00 N ATOM 160 CA ARG A 486 0.267 5.595 4.302 1.00 15.00 C ATOM 161 C ARG A 486 0.321 6.692 3.266 1.00 15.00 C ATOM 162 O ARG A 486 0.942 6.543 2.225 1.00 15.00 O ATOM 163 CB ARG A 486 1.679 5.198 4.738 1.00 15.00 C ATOM 164 CG ARG A 486 1.741 4.612 6.143 1.00 15.00 C ATOM 165 CD ARG A 486 1.312 5.637 7.185 1.00 15.00 C ATOM 166 NE ARG A 486 1.328 5.097 8.547 1.00 15.00 N ATOM 167 CZ ARG A 486 0.231 4.828 9.253 1.00 15.00 C ATOM 168 NH1 ARG A 486 -0.971 5.055 8.735 1.00 15.00 N ATOM 169 NH2 ARG A 486 0.336 4.354 10.487 1.00 15.00 N ATOM 0 H ARG A 486 -0.056 4.044 2.952 1.00 15.00 H new ATOM 0 HA ARG A 486 -0.256 5.962 5.185 1.00 15.00 H new ATOM 0 HB2 ARG A 486 2.077 4.470 4.032 1.00 15.00 H new ATOM 0 HB3 ARG A 486 2.325 6.075 4.690 1.00 15.00 H new ATOM 0 HG2 ARG A 486 1.096 3.736 6.203 1.00 15.00 H new ATOM 0 HG3 ARG A 486 2.756 4.276 6.356 1.00 15.00 H new ATOM 0 HD2 ARG A 486 1.974 6.501 7.133 1.00 15.00 H new ATOM 0 HD3 ARG A 486 0.308 5.990 6.950 1.00 15.00 H new ATOM 0 HE ARG A 486 2.233 4.916 8.980 1.00 15.00 H new ATOM 0 HH11 ARG A 486 -1.057 5.437 7.793 1.00 15.00 H new ATOM 0 HH12 ARG A 486 -1.808 4.847 9.279 1.00 15.00 H new ATOM 0 HH21 ARG A 486 1.257 4.195 10.896 1.00 15.00 H new ATOM 0 HH22 ARG A 486 -0.504 4.148 11.027 1.00 15.00 H new ATOM 183 N ILE A 487 -0.373 7.771 3.549 1.00 15.00 N ATOM 184 CA ILE A 487 -0.268 8.978 2.760 1.00 15.00 C ATOM 185 C ILE A 487 0.831 9.813 3.355 1.00 15.00 C ATOM 186 O ILE A 487 0.765 10.257 4.503 1.00 15.00 O ATOM 187 CB ILE A 487 -1.603 9.727 2.686 1.00 15.00 C ATOM 188 CG1 ILE A 487 -1.395 11.135 2.096 1.00 15.00 C ATOM 189 CG2 ILE A 487 -2.286 9.726 4.038 1.00 15.00 C ATOM 190 CD1 ILE A 487 -2.634 12.005 2.134 1.00 15.00 C ATOM 0 H ILE A 487 -1.025 7.837 4.331 1.00 15.00 H new ATOM 0 HA ILE A 487 -0.022 8.736 1.726 1.00 15.00 H new ATOM 0 HB ILE A 487 -2.280 9.210 2.006 1.00 15.00 H new ATOM 0 HG12 ILE A 487 -0.596 11.634 2.644 1.00 15.00 H new ATOM 0 HG13 ILE A 487 -1.061 11.040 1.063 1.00 15.00 H new ATOM 0 HG21 ILE A 487 -3.233 10.262 3.968 1.00 15.00 H new ATOM 0 HG22 ILE A 487 -2.473 8.699 4.350 1.00 15.00 H new ATOM 0 HG23 ILE A 487 -1.645 10.217 4.770 1.00 15.00 H new ATOM 0 HD11 ILE A 487 -2.408 12.980 1.701 1.00 15.00 H new ATOM 0 HD12 ILE A 487 -3.430 11.530 1.561 1.00 15.00 H new ATOM 0 HD13 ILE A 487 -2.957 12.133 3.167 1.00 15.00 H new ATOM 202 N ALA A 488 1.852 10.010 2.557 1.00 15.00 N ATOM 203 CA ALA A 488 3.100 10.515 3.043 1.00 15.00 C ATOM 204 C ALA A 488 3.068 12.032 2.980 1.00 15.00 C ATOM 205 O ALA A 488 2.369 12.583 2.133 1.00 15.00 O ATOM 206 CB ALA A 488 4.242 9.992 2.198 1.00 15.00 C ATOM 0 H ALA A 488 1.835 9.823 1.554 1.00 15.00 H new ATOM 0 HA ALA A 488 3.252 10.186 4.071 1.00 15.00 H new ATOM 0 HB1 ALA A 488 5.185 10.384 2.579 1.00 15.00 H new ATOM 0 HB2 ALA A 488 4.258 8.903 2.241 1.00 15.00 H new ATOM 0 HB3 ALA A 488 4.107 10.312 1.165 1.00 15.00 H new ATOM 212 N PRO A 489 3.785 12.729 3.878 1.00 15.00 N ATOM 213 CA PRO A 489 3.755 14.202 3.966 1.00 15.00 C ATOM 214 C PRO A 489 4.154 14.918 2.667 1.00 15.00 C ATOM 215 O PRO A 489 4.136 16.148 2.598 1.00 15.00 O ATOM 216 CB PRO A 489 4.766 14.518 5.073 1.00 15.00 C ATOM 217 CG PRO A 489 4.866 13.265 5.869 1.00 15.00 C ATOM 218 CD PRO A 489 4.677 12.141 4.891 1.00 15.00 C ATOM 0 HA PRO A 489 2.742 14.553 4.163 1.00 15.00 H new ATOM 0 HB2 PRO A 489 5.733 14.800 4.656 1.00 15.00 H new ATOM 0 HB3 PRO A 489 4.429 15.352 5.689 1.00 15.00 H new ATOM 0 HG2 PRO A 489 5.834 13.193 6.365 1.00 15.00 H new ATOM 0 HG3 PRO A 489 4.106 13.236 6.649 1.00 15.00 H new ATOM 0 HD2 PRO A 489 5.624 11.820 4.457 1.00 15.00 H new ATOM 0 HD3 PRO A 489 4.230 11.266 5.363 1.00 15.00 H new ATOM 226 N ASN A 490 4.518 14.155 1.644 1.00 15.00 N ATOM 227 CA ASN A 490 4.870 14.712 0.354 1.00 15.00 C ATOM 228 C ASN A 490 3.711 14.550 -0.613 1.00 15.00 C ATOM 229 O ASN A 490 3.692 15.150 -1.687 1.00 15.00 O ATOM 230 CB ASN A 490 6.163 14.091 -0.216 1.00 15.00 C ATOM 231 CG ASN A 490 6.411 12.650 0.215 1.00 15.00 C ATOM 232 OD1 ASN A 490 6.083 12.246 1.328 1.00 15.00 O ATOM 233 ND2 ASN A 490 7.003 11.858 -0.654 1.00 15.00 N ATOM 0 H ASN A 490 4.576 13.138 1.689 1.00 15.00 H new ATOM 0 HA ASN A 490 5.071 15.774 0.492 1.00 15.00 H new ATOM 0 HB2 ASN A 490 6.121 14.130 -1.305 1.00 15.00 H new ATOM 0 HB3 ASN A 490 7.012 14.701 0.093 1.00 15.00 H new ATOM 0 HD21 ASN A 490 7.198 10.887 -0.409 1.00 15.00 H new ATOM 0 HD22 ASN A 490 7.266 12.215 -1.572 1.00 15.00 H new ATOM 240 N GLY A 491 2.760 13.703 -0.238 1.00 15.00 N ATOM 241 CA GLY A 491 1.593 13.485 -1.068 1.00 15.00 C ATOM 242 C GLY A 491 1.626 12.112 -1.671 1.00 15.00 C ATOM 243 O GLY A 491 1.196 11.897 -2.804 1.00 15.00 O ATOM 0 H GLY A 491 2.777 13.163 0.627 1.00 15.00 H new ATOM 0 HA2 GLY A 491 0.688 13.605 -0.472 1.00 15.00 H new ATOM 0 HA3 GLY A 491 1.556 14.235 -1.858 1.00 15.00 H new ATOM 247 N ARG A 492 2.145 11.177 -0.899 1.00 15.00 N ATOM 248 CA ARG A 492 2.388 9.840 -1.391 1.00 15.00 C ATOM 249 C ARG A 492 1.673 8.802 -0.549 1.00 15.00 C ATOM 250 O ARG A 492 2.168 8.400 0.490 1.00 15.00 O ATOM 251 CB ARG A 492 3.888 9.556 -1.395 1.00 15.00 C ATOM 252 CG ARG A 492 4.668 10.471 -2.309 1.00 15.00 C ATOM 253 CD ARG A 492 5.533 9.720 -3.301 1.00 15.00 C ATOM 254 NE ARG A 492 6.347 10.627 -4.115 1.00 15.00 N ATOM 255 CZ ARG A 492 6.390 10.620 -5.449 1.00 15.00 C ATOM 256 NH1 ARG A 492 5.677 9.740 -6.142 1.00 15.00 N ATOM 257 NH2 ARG A 492 7.151 11.503 -6.089 1.00 15.00 N ATOM 0 H ARG A 492 2.407 11.322 0.076 1.00 15.00 H new ATOM 0 HA ARG A 492 1.998 9.778 -2.407 1.00 15.00 H new ATOM 0 HB2 ARG A 492 4.272 9.655 -0.380 1.00 15.00 H new ATOM 0 HB3 ARG A 492 4.054 8.523 -1.699 1.00 15.00 H new ATOM 0 HG2 ARG A 492 3.973 11.111 -2.853 1.00 15.00 H new ATOM 0 HG3 ARG A 492 5.299 11.125 -1.707 1.00 15.00 H new ATOM 0 HD2 ARG A 492 6.185 9.030 -2.765 1.00 15.00 H new ATOM 0 HD3 ARG A 492 4.899 9.118 -3.952 1.00 15.00 H new ATOM 0 HE ARG A 492 6.922 11.313 -3.627 1.00 15.00 H new ATOM 0 HH11 ARG A 492 5.090 9.062 -5.655 1.00 15.00 H new ATOM 0 HH12 ARG A 492 5.716 9.742 -7.161 1.00 15.00 H new ATOM 0 HH21 ARG A 492 7.699 12.182 -5.561 1.00 15.00 H new ATOM 0 HH22 ARG A 492 7.187 11.501 -7.108 1.00 15.00 H new ATOM 271 N PRO A 493 0.477 8.386 -0.962 1.00 15.00 N ATOM 272 CA PRO A 493 -0.225 7.271 -0.349 1.00 15.00 C ATOM 273 C PRO A 493 0.158 5.992 -1.012 1.00 15.00 C ATOM 274 O PRO A 493 -0.277 5.665 -2.116 1.00 15.00 O ATOM 275 CB PRO A 493 -1.706 7.609 -0.572 1.00 15.00 C ATOM 276 CG PRO A 493 -1.684 8.976 -1.175 1.00 15.00 C ATOM 277 CD PRO A 493 -0.387 9.046 -1.926 1.00 15.00 C ATOM 0 HA PRO A 493 0.009 7.136 0.707 1.00 15.00 H new ATOM 0 HB2 PRO A 493 -2.183 6.888 -1.236 1.00 15.00 H new ATOM 0 HB3 PRO A 493 -2.263 7.596 0.365 1.00 15.00 H new ATOM 0 HG2 PRO A 493 -2.534 9.128 -1.840 1.00 15.00 H new ATOM 0 HG3 PRO A 493 -1.738 9.748 -0.407 1.00 15.00 H new ATOM 0 HD2 PRO A 493 -0.426 8.523 -2.882 1.00 15.00 H new ATOM 0 HD3 PRO A 493 -0.078 10.070 -2.135 1.00 15.00 H new ATOM 285 N PHE A 494 1.065 5.316 -0.338 1.00 15.00 N ATOM 286 CA PHE A 494 1.622 4.122 -0.846 1.00 15.00 C ATOM 287 C PHE A 494 0.688 3.053 -0.316 1.00 15.00 C ATOM 288 O PHE A 494 0.487 2.976 0.899 1.00 15.00 O ATOM 289 CB PHE A 494 2.982 3.832 -0.212 1.00 15.00 C ATOM 290 CG PHE A 494 3.783 5.018 0.263 1.00 15.00 C ATOM 291 CD1 PHE A 494 3.603 5.457 1.572 1.00 15.00 C ATOM 292 CD2 PHE A 494 4.729 5.655 -0.513 1.00 15.00 C ATOM 293 CE1 PHE A 494 4.328 6.478 2.083 1.00 15.00 C ATOM 294 CE2 PHE A 494 5.477 6.697 0.013 1.00 15.00 C ATOM 295 CZ PHE A 494 5.276 7.103 1.317 1.00 15.00 C ATOM 0 H PHE A 494 1.424 5.595 0.575 1.00 15.00 H new ATOM 0 HA PHE A 494 1.738 4.170 -1.929 1.00 15.00 H new ATOM 0 HB2 PHE A 494 2.825 3.167 0.637 1.00 15.00 H new ATOM 0 HB3 PHE A 494 3.584 3.285 -0.938 1.00 15.00 H new ATOM 0 HD1 PHE A 494 2.867 4.970 2.194 1.00 15.00 H new ATOM 0 HD2 PHE A 494 4.888 5.341 -1.534 1.00 15.00 H new ATOM 0 HE1 PHE A 494 4.159 6.802 3.099 1.00 15.00 H new ATOM 0 HE2 PHE A 494 6.218 7.192 -0.598 1.00 15.00 H new ATOM 0 HZ PHE A 494 5.863 7.909 1.731 1.00 15.00 H new ATOM 305 N PHE A 495 0.098 2.263 -1.156 1.00 15.00 N ATOM 306 CA PHE A 495 -0.661 1.144 -0.664 1.00 15.00 C ATOM 307 C PHE A 495 0.321 -0.020 -0.562 1.00 15.00 C ATOM 308 O PHE A 495 0.739 -0.566 -1.578 1.00 15.00 O ATOM 309 CB PHE A 495 -1.818 0.783 -1.599 1.00 15.00 C ATOM 310 CG PHE A 495 -2.868 1.853 -1.722 1.00 15.00 C ATOM 311 CD1 PHE A 495 -3.143 2.706 -0.664 1.00 15.00 C ATOM 312 CD2 PHE A 495 -3.582 2.004 -2.901 1.00 15.00 C ATOM 313 CE1 PHE A 495 -4.108 3.687 -0.782 1.00 15.00 C ATOM 314 CE2 PHE A 495 -4.548 2.983 -3.022 1.00 15.00 C ATOM 315 CZ PHE A 495 -4.811 3.825 -1.962 1.00 15.00 C ATOM 0 H PHE A 495 0.122 2.364 -2.171 1.00 15.00 H new ATOM 0 HA PHE A 495 -1.112 1.384 0.299 1.00 15.00 H new ATOM 0 HB2 PHE A 495 -1.417 0.568 -2.589 1.00 15.00 H new ATOM 0 HB3 PHE A 495 -2.288 -0.132 -1.240 1.00 15.00 H new ATOM 0 HD1 PHE A 495 -2.597 2.602 0.262 1.00 15.00 H new ATOM 0 HD2 PHE A 495 -3.380 1.348 -3.735 1.00 15.00 H new ATOM 0 HE1 PHE A 495 -4.313 4.346 0.049 1.00 15.00 H new ATOM 0 HE2 PHE A 495 -5.097 3.089 -3.946 1.00 15.00 H new ATOM 0 HZ PHE A 495 -5.566 4.592 -2.055 1.00 15.00 H new ATOM 325 N TYR A 496 0.767 -0.339 0.644 1.00 15.00 N ATOM 326 CA TYR A 496 1.864 -1.292 0.802 1.00 15.00 C ATOM 327 C TYR A 496 1.404 -2.642 1.376 1.00 15.00 C ATOM 328 O TYR A 496 0.757 -2.700 2.421 1.00 15.00 O ATOM 329 CB TYR A 496 3.000 -0.645 1.626 1.00 15.00 C ATOM 330 CG TYR A 496 3.807 -1.605 2.487 1.00 15.00 C ATOM 331 CD1 TYR A 496 3.410 -1.928 3.781 1.00 15.00 C ATOM 332 CD2 TYR A 496 4.977 -2.181 2.002 1.00 15.00 C ATOM 333 CE1 TYR A 496 4.151 -2.797 4.560 1.00 15.00 C ATOM 334 CE2 TYR A 496 5.720 -3.047 2.778 1.00 15.00 C ATOM 335 CZ TYR A 496 5.304 -3.352 4.053 1.00 15.00 C ATOM 336 OH TYR A 496 6.045 -4.213 4.826 1.00 15.00 O ATOM 0 H TYR A 496 0.396 0.039 1.516 1.00 15.00 H new ATOM 0 HA TYR A 496 2.254 -1.531 -0.188 1.00 15.00 H new ATOM 0 HB2 TYR A 496 3.680 -0.138 0.941 1.00 15.00 H new ATOM 0 HB3 TYR A 496 2.568 0.120 2.271 1.00 15.00 H new ATOM 0 HD1 TYR A 496 2.508 -1.492 4.184 1.00 15.00 H new ATOM 0 HD2 TYR A 496 5.309 -1.946 1.001 1.00 15.00 H new ATOM 0 HE1 TYR A 496 3.827 -3.039 5.561 1.00 15.00 H new ATOM 0 HE2 TYR A 496 6.626 -3.484 2.385 1.00 15.00 H new ATOM 0 HH TYR A 496 5.453 -4.689 5.445 1.00 15.00 H new ATOM 346 N ASP A 497 1.783 -3.726 0.679 1.00 15.00 N ATOM 347 CA ASP A 497 1.392 -5.097 1.045 1.00 15.00 C ATOM 348 C ASP A 497 2.456 -5.657 2.002 1.00 15.00 C ATOM 349 O ASP A 497 3.644 -5.564 1.702 1.00 15.00 O ATOM 350 CB ASP A 497 1.366 -5.994 -0.189 1.00 15.00 C ATOM 351 CG ASP A 497 0.951 -7.411 0.152 1.00 15.00 C ATOM 352 OD1 ASP A 497 -0.265 -7.698 0.174 1.00 15.00 O ATOM 353 OD2 ASP A 497 1.841 -8.243 0.402 1.00 15.00 O ATOM 0 H ASP A 497 2.369 -3.676 -0.154 1.00 15.00 H new ATOM 0 HA ASP A 497 0.403 -5.075 1.502 1.00 15.00 H new ATOM 0 HB2 ASP A 497 0.676 -5.580 -0.924 1.00 15.00 H new ATOM 0 HB3 ASP A 497 2.354 -6.006 -0.650 1.00 15.00 H new ATOM 358 N HIS A 498 2.056 -6.245 3.128 1.00 15.00 N ATOM 359 CA HIS A 498 3.027 -6.687 4.141 1.00 15.00 C ATOM 360 C HIS A 498 3.514 -8.100 3.851 1.00 15.00 C ATOM 361 O HIS A 498 4.448 -8.584 4.490 1.00 15.00 O ATOM 362 CB HIS A 498 2.434 -6.668 5.563 1.00 15.00 C ATOM 363 CG HIS A 498 1.791 -5.378 5.985 1.00 15.00 C ATOM 364 ND1 HIS A 498 1.221 -4.503 5.101 1.00 15.00 N ATOM 365 CD2 HIS A 498 1.539 -4.872 7.216 1.00 15.00 C ATOM 366 CE1 HIS A 498 0.636 -3.534 5.750 1.00 15.00 C ATOM 367 NE2 HIS A 498 0.814 -3.721 7.037 1.00 15.00 N ATOM 0 H HIS A 498 1.081 -6.427 3.365 1.00 15.00 H new ATOM 0 HA HIS A 498 3.857 -5.982 4.091 1.00 15.00 H new ATOM 0 HB2 HIS A 498 1.692 -7.463 5.638 1.00 15.00 H new ATOM 0 HB3 HIS A 498 3.228 -6.905 6.271 1.00 15.00 H new ATOM 0 HD1 HIS A 498 1.249 -4.595 4.086 1.00 15.00 H new ATOM 0 HD2 HIS A 498 1.850 -5.295 8.160 1.00 15.00 H new ATOM 0 HE1 HIS A 498 0.095 -2.714 5.302 1.00 15.00 H new ATOM 0 HE2 HIS A 498 0.471 -3.112 7.780 1.00 15.00 H new ATOM 376 N ASN A 499 2.877 -8.765 2.896 1.00 15.00 N ATOM 377 CA ASN A 499 3.186 -10.161 2.602 1.00 15.00 C ATOM 378 C ASN A 499 4.254 -10.250 1.529 1.00 15.00 C ATOM 379 O ASN A 499 4.999 -11.225 1.449 1.00 15.00 O ATOM 380 CB ASN A 499 1.935 -10.916 2.146 1.00 15.00 C ATOM 381 CG ASN A 499 0.757 -10.703 3.072 1.00 15.00 C ATOM 382 OD1 ASN A 499 0.606 -11.403 4.073 1.00 15.00 O ATOM 383 ND2 ASN A 499 -0.099 -9.747 2.735 1.00 15.00 N ATOM 0 H ASN A 499 2.144 -8.362 2.312 1.00 15.00 H new ATOM 0 HA ASN A 499 3.556 -10.622 3.518 1.00 15.00 H new ATOM 0 HB2 ASN A 499 1.666 -10.592 1.141 1.00 15.00 H new ATOM 0 HB3 ASN A 499 2.159 -11.981 2.088 1.00 15.00 H new ATOM 0 HD21 ASN A 499 -0.920 -9.570 3.314 1.00 15.00 H new ATOM 0 HD22 ASN A 499 0.064 -9.189 1.897 1.00 15.00 H new ATOM 390 N THR A 500 4.283 -9.245 0.675 1.00 15.00 N ATOM 391 CA THR A 500 5.291 -9.143 -0.362 1.00 15.00 C ATOM 392 C THR A 500 6.200 -7.946 -0.103 1.00 15.00 C ATOM 393 O THR A 500 7.213 -7.760 -0.781 1.00 15.00 O ATOM 394 CB THR A 500 4.635 -9.025 -1.753 1.00 15.00 C ATOM 395 OG1 THR A 500 3.533 -8.107 -1.698 1.00 15.00 O ATOM 396 CG2 THR A 500 4.145 -10.380 -2.237 1.00 15.00 C ATOM 0 H THR A 500 3.610 -8.478 0.680 1.00 15.00 H new ATOM 0 HA THR A 500 5.893 -10.051 -0.343 1.00 15.00 H new ATOM 0 HB THR A 500 5.384 -8.655 -2.453 1.00 15.00 H new ATOM 0 HG1 THR A 500 2.930 -8.363 -0.970 1.00 15.00 H new ATOM 0 HG21 THR A 500 3.686 -10.271 -3.220 1.00 15.00 H new ATOM 0 HG22 THR A 500 4.987 -11.069 -2.304 1.00 15.00 H new ATOM 0 HG23 THR A 500 3.410 -10.773 -1.535 1.00 15.00 H new ATOM 404 N LYS A 501 5.821 -7.146 0.900 1.00 15.00 N ATOM 405 CA LYS A 501 6.575 -5.956 1.302 1.00 15.00 C ATOM 406 C LYS A 501 6.712 -4.979 0.143 1.00 15.00 C ATOM 407 O LYS A 501 7.703 -4.257 0.031 1.00 15.00 O ATOM 408 CB LYS A 501 7.950 -6.347 1.843 1.00 15.00 C ATOM 409 CG LYS A 501 7.882 -7.129 3.145 1.00 15.00 C ATOM 410 CD LYS A 501 9.264 -7.426 3.692 1.00 15.00 C ATOM 411 CE LYS A 501 9.179 -8.138 5.030 1.00 15.00 C ATOM 412 NZ LYS A 501 10.522 -8.454 5.574 1.00 15.00 N ATOM 0 H LYS A 501 4.981 -7.307 1.456 1.00 15.00 H new ATOM 0 HA LYS A 501 6.021 -5.459 2.098 1.00 15.00 H new ATOM 0 HB2 LYS A 501 8.471 -6.944 1.095 1.00 15.00 H new ATOM 0 HB3 LYS A 501 8.542 -5.445 1.999 1.00 15.00 H new ATOM 0 HG2 LYS A 501 7.313 -6.561 3.881 1.00 15.00 H new ATOM 0 HG3 LYS A 501 7.347 -8.064 2.981 1.00 15.00 H new ATOM 0 HD2 LYS A 501 9.815 -8.043 2.982 1.00 15.00 H new ATOM 0 HD3 LYS A 501 9.821 -6.496 3.806 1.00 15.00 H new ATOM 0 HE2 LYS A 501 8.637 -7.513 5.740 1.00 15.00 H new ATOM 0 HE3 LYS A 501 8.608 -9.059 4.916 1.00 15.00 H new ATOM 0 HZ1 LYS A 501 10.421 -8.940 6.488 1.00 15.00 H new ATOM 0 HZ2 LYS A 501 11.030 -9.071 4.908 1.00 15.00 H new ATOM 0 HZ3 LYS A 501 11.059 -7.573 5.707 1.00 15.00 H new ATOM 426 N THR A 502 5.681 -4.913 -0.681 1.00 15.00 N ATOM 427 CA THR A 502 5.714 -4.058 -1.851 1.00 15.00 C ATOM 428 C THR A 502 4.930 -2.768 -1.610 1.00 15.00 C ATOM 429 O THR A 502 3.788 -2.790 -1.142 1.00 15.00 O ATOM 430 CB THR A 502 5.171 -4.783 -3.108 1.00 15.00 C ATOM 431 OG1 THR A 502 5.287 -3.935 -4.255 1.00 15.00 O ATOM 432 CG2 THR A 502 3.716 -5.201 -2.932 1.00 15.00 C ATOM 0 H THR A 502 4.815 -5.439 -0.561 1.00 15.00 H new ATOM 0 HA THR A 502 6.759 -3.806 -2.032 1.00 15.00 H new ATOM 0 HB THR A 502 5.770 -5.683 -3.251 1.00 15.00 H new ATOM 0 HG1 THR A 502 4.943 -4.403 -5.044 1.00 15.00 H new ATOM 0 HG21 THR A 502 3.371 -5.706 -3.834 1.00 15.00 H new ATOM 0 HG22 THR A 502 3.632 -5.878 -2.082 1.00 15.00 H new ATOM 0 HG23 THR A 502 3.103 -4.318 -2.754 1.00 15.00 H new ATOM 440 N THR A 503 5.574 -1.647 -1.885 1.00 15.00 N ATOM 441 CA THR A 503 4.915 -0.359 -1.892 1.00 15.00 C ATOM 442 C THR A 503 4.381 -0.089 -3.297 1.00 15.00 C ATOM 443 O THR A 503 5.142 -0.083 -4.261 1.00 15.00 O ATOM 444 CB THR A 503 5.900 0.757 -1.477 1.00 15.00 C ATOM 445 OG1 THR A 503 7.226 0.411 -1.894 1.00 15.00 O ATOM 446 CG2 THR A 503 5.897 0.996 0.022 1.00 15.00 C ATOM 0 H THR A 503 6.568 -1.607 -2.109 1.00 15.00 H new ATOM 0 HA THR A 503 4.093 -0.369 -1.177 1.00 15.00 H new ATOM 0 HB THR A 503 5.574 1.676 -1.965 1.00 15.00 H new ATOM 0 HG1 THR A 503 7.848 1.122 -1.631 1.00 15.00 H new ATOM 0 HG21 THR A 503 6.604 1.789 0.265 1.00 15.00 H new ATOM 0 HG22 THR A 503 4.897 1.291 0.341 1.00 15.00 H new ATOM 0 HG23 THR A 503 6.187 0.080 0.537 1.00 15.00 H new ATOM 454 N THR A 504 3.080 0.092 -3.432 1.00 15.00 N ATOM 455 CA THR A 504 2.498 0.300 -4.747 1.00 15.00 C ATOM 456 C THR A 504 1.497 1.444 -4.716 1.00 15.00 C ATOM 457 O THR A 504 0.759 1.595 -3.759 1.00 15.00 O ATOM 458 CB THR A 504 1.812 -0.991 -5.255 1.00 15.00 C ATOM 459 OG1 THR A 504 1.582 -0.907 -6.666 1.00 15.00 O ATOM 460 CG2 THR A 504 0.489 -1.255 -4.553 1.00 15.00 C ATOM 0 H THR A 504 2.414 0.100 -2.660 1.00 15.00 H new ATOM 0 HA THR A 504 3.304 0.559 -5.434 1.00 15.00 H new ATOM 0 HB THR A 504 2.487 -1.817 -5.030 1.00 15.00 H new ATOM 0 HG1 THR A 504 1.299 -1.782 -7.004 1.00 15.00 H new ATOM 0 HG21 THR A 504 0.046 -2.171 -4.944 1.00 15.00 H new ATOM 0 HG22 THR A 504 0.661 -1.363 -3.482 1.00 15.00 H new ATOM 0 HG23 THR A 504 -0.189 -0.420 -4.730 1.00 15.00 H new ATOM 468 N TRP A 505 1.477 2.268 -5.746 1.00 15.00 N ATOM 469 CA TRP A 505 0.472 3.316 -5.818 1.00 15.00 C ATOM 470 C TRP A 505 -0.715 2.793 -6.622 1.00 15.00 C ATOM 471 O TRP A 505 -1.715 3.485 -6.817 1.00 15.00 O ATOM 472 CB TRP A 505 1.011 4.595 -6.467 1.00 15.00 C ATOM 473 CG TRP A 505 2.483 4.856 -6.278 1.00 15.00 C ATOM 474 CD1 TRP A 505 3.475 4.514 -7.157 1.00 15.00 C ATOM 475 CD2 TRP A 505 3.140 5.532 -5.180 1.00 15.00 C ATOM 476 NE1 TRP A 505 4.688 4.943 -6.696 1.00 15.00 N ATOM 477 CE2 TRP A 505 4.515 5.567 -5.498 1.00 15.00 C ATOM 478 CE3 TRP A 505 2.728 6.120 -3.963 1.00 15.00 C ATOM 479 CZ2 TRP A 505 5.456 6.159 -4.672 1.00 15.00 C ATOM 480 CZ3 TRP A 505 3.674 6.696 -3.159 1.00 15.00 C ATOM 481 CH2 TRP A 505 5.020 6.717 -3.515 1.00 15.00 C ATOM 0 H TRP A 505 2.129 2.237 -6.530 1.00 15.00 H new ATOM 0 HA TRP A 505 0.173 3.574 -4.802 1.00 15.00 H new ATOM 0 HB2 TRP A 505 0.803 4.553 -7.536 1.00 15.00 H new ATOM 0 HB3 TRP A 505 0.456 5.444 -6.068 1.00 15.00 H new ATOM 0 HD1 TRP A 505 3.321 3.981 -8.083 1.00 15.00 H new ATOM 0 HE1 TRP A 505 5.581 4.816 -7.173 1.00 15.00 H new ATOM 0 HE3 TRP A 505 1.688 6.115 -3.673 1.00 15.00 H new ATOM 0 HZ2 TRP A 505 6.502 6.176 -4.940 1.00 15.00 H new ATOM 0 HZ3 TRP A 505 3.369 7.145 -2.225 1.00 15.00 H new ATOM 0 HH2 TRP A 505 5.733 7.188 -2.855 1.00 15.00 H new ATOM 492 N GLU A 506 -0.579 1.554 -7.084 1.00 15.00 N ATOM 493 CA GLU A 506 -1.585 0.892 -7.902 1.00 15.00 C ATOM 494 C GLU A 506 -2.613 0.194 -7.018 1.00 15.00 C ATOM 495 O GLU A 506 -2.290 -0.246 -5.916 1.00 15.00 O ATOM 496 CB GLU A 506 -0.896 -0.111 -8.827 1.00 15.00 C ATOM 497 CG GLU A 506 0.091 0.545 -9.779 1.00 15.00 C ATOM 498 CD GLU A 506 1.069 -0.436 -10.386 1.00 15.00 C ATOM 499 OE1 GLU A 506 0.720 -1.088 -11.388 1.00 15.00 O ATOM 500 OE2 GLU A 506 2.204 -0.543 -9.874 1.00 15.00 O ATOM 0 H GLU A 506 0.241 0.977 -6.898 1.00 15.00 H new ATOM 0 HA GLU A 506 -2.110 1.633 -8.505 1.00 15.00 H new ATOM 0 HB2 GLU A 506 -0.373 -0.854 -8.224 1.00 15.00 H new ATOM 0 HB3 GLU A 506 -1.651 -0.644 -9.405 1.00 15.00 H new ATOM 0 HG2 GLU A 506 -0.459 1.042 -10.578 1.00 15.00 H new ATOM 0 HG3 GLU A 506 0.644 1.317 -9.244 1.00 15.00 H new ATOM 507 N ASP A 507 -3.845 0.094 -7.508 1.00 15.00 N ATOM 508 CA ASP A 507 -4.944 -0.479 -6.731 1.00 15.00 C ATOM 509 C ASP A 507 -4.686 -1.946 -6.364 1.00 15.00 C ATOM 510 O ASP A 507 -4.675 -2.815 -7.212 1.00 15.00 O ATOM 511 CB ASP A 507 -6.263 -0.357 -7.499 1.00 15.00 C ATOM 512 CG ASP A 507 -7.442 -0.897 -6.713 1.00 15.00 C ATOM 513 OD1 ASP A 507 -7.710 -2.109 -6.795 1.00 15.00 O ATOM 514 OD2 ASP A 507 -8.110 -0.109 -6.011 1.00 15.00 O ATOM 0 H ASP A 507 -4.110 0.403 -8.443 1.00 15.00 H new ATOM 0 HA ASP A 507 -5.012 0.088 -5.803 1.00 15.00 H new ATOM 0 HB2 ASP A 507 -6.442 0.690 -7.744 1.00 15.00 H new ATOM 0 HB3 ASP A 507 -6.182 -0.896 -8.443 1.00 15.00 H new ATOM 519 N PRO A 508 -4.492 -2.211 -5.068 1.00 15.00 N ATOM 520 CA PRO A 508 -4.211 -3.540 -4.497 1.00 15.00 C ATOM 521 C PRO A 508 -5.443 -4.351 -4.341 1.00 15.00 C ATOM 522 O PRO A 508 -5.405 -5.534 -4.022 1.00 15.00 O ATOM 523 CB PRO A 508 -3.614 -3.238 -3.133 1.00 15.00 C ATOM 524 CG PRO A 508 -3.632 -1.755 -2.991 1.00 15.00 C ATOM 525 CD PRO A 508 -4.573 -1.214 -4.012 1.00 15.00 C ATOM 0 HA PRO A 508 -3.552 -4.121 -5.142 1.00 15.00 H new ATOM 0 HB2 PRO A 508 -4.193 -3.712 -2.341 1.00 15.00 H new ATOM 0 HB3 PRO A 508 -2.597 -3.624 -3.059 1.00 15.00 H new ATOM 0 HG2 PRO A 508 -3.951 -1.471 -1.988 1.00 15.00 H new ATOM 0 HG3 PRO A 508 -2.633 -1.345 -3.136 1.00 15.00 H new ATOM 0 HD2 PRO A 508 -5.586 -1.117 -3.621 1.00 15.00 H new ATOM 0 HD3 PRO A 508 -4.271 -0.227 -4.361 1.00 15.00 H new ATOM 533 N ARG A 509 -6.534 -3.691 -4.550 1.00 15.00 N ATOM 534 CA ARG A 509 -7.807 -4.237 -4.311 1.00 15.00 C ATOM 535 C ARG A 509 -8.086 -5.073 -5.514 1.00 15.00 C ATOM 536 O ARG A 509 -9.063 -5.813 -5.599 1.00 15.00 O ATOM 537 CB ARG A 509 -8.785 -3.108 -4.039 1.00 15.00 C ATOM 538 CG ARG A 509 -8.171 -2.124 -3.050 1.00 15.00 C ATOM 539 CD ARG A 509 -9.157 -1.059 -2.605 1.00 15.00 C ATOM 540 NE ARG A 509 -9.497 -0.145 -3.696 1.00 15.00 N ATOM 541 CZ ARG A 509 -10.352 0.869 -3.576 1.00 15.00 C ATOM 542 NH1 ARG A 509 -11.012 1.052 -2.440 1.00 15.00 N ATOM 543 NH2 ARG A 509 -10.563 1.686 -4.601 1.00 15.00 N ATOM 0 H ARG A 509 -6.553 -2.733 -4.901 1.00 15.00 H new ATOM 0 HA ARG A 509 -7.889 -4.870 -3.428 1.00 15.00 H new ATOM 0 HB2 ARG A 509 -9.033 -2.597 -4.969 1.00 15.00 H new ATOM 0 HB3 ARG A 509 -9.716 -3.509 -3.638 1.00 15.00 H new ATOM 0 HG2 ARG A 509 -7.810 -2.668 -2.177 1.00 15.00 H new ATOM 0 HG3 ARG A 509 -7.305 -1.645 -3.508 1.00 15.00 H new ATOM 0 HD2 ARG A 509 -10.064 -1.536 -2.234 1.00 15.00 H new ATOM 0 HD3 ARG A 509 -8.732 -0.493 -1.776 1.00 15.00 H new ATOM 0 HE ARG A 509 -9.053 -0.293 -4.602 1.00 15.00 H new ATOM 0 HH11 ARG A 509 -10.865 0.416 -1.657 1.00 15.00 H new ATOM 0 HH12 ARG A 509 -11.666 1.829 -2.350 1.00 15.00 H new ATOM 0 HH21 ARG A 509 -10.070 1.537 -5.482 1.00 15.00 H new ATOM 0 HH22 ARG A 509 -11.218 2.462 -4.508 1.00 15.00 H new ATOM 557 N LEU A 510 -7.183 -4.896 -6.475 1.00 15.00 N ATOM 558 CA LEU A 510 -7.190 -5.698 -7.652 1.00 15.00 C ATOM 559 C LEU A 510 -7.000 -7.173 -7.271 1.00 15.00 C ATOM 560 O LEU A 510 -7.455 -8.085 -7.963 1.00 15.00 O ATOM 561 CB LEU A 510 -6.109 -5.263 -8.679 1.00 15.00 C ATOM 562 CG LEU A 510 -4.630 -5.584 -8.331 1.00 15.00 C ATOM 563 CD1 LEU A 510 -4.280 -7.044 -8.592 1.00 15.00 C ATOM 564 CD2 LEU A 510 -3.682 -4.700 -9.122 1.00 15.00 C ATOM 0 H LEU A 510 -6.442 -4.196 -6.443 1.00 15.00 H new ATOM 0 HA LEU A 510 -8.157 -5.560 -8.137 1.00 15.00 H new ATOM 0 HB2 LEU A 510 -6.341 -5.734 -9.634 1.00 15.00 H new ATOM 0 HB3 LEU A 510 -6.196 -4.186 -8.825 1.00 15.00 H new ATOM 0 HG LEU A 510 -4.516 -5.387 -7.265 1.00 15.00 H new ATOM 0 HD11 LEU A 510 -3.236 -7.220 -8.334 1.00 15.00 H new ATOM 0 HD12 LEU A 510 -4.917 -7.685 -7.983 1.00 15.00 H new ATOM 0 HD13 LEU A 510 -4.436 -7.273 -9.646 1.00 15.00 H new ATOM 0 HD21 LEU A 510 -2.653 -4.945 -8.860 1.00 15.00 H new ATOM 0 HD22 LEU A 510 -3.834 -4.866 -10.188 1.00 15.00 H new ATOM 0 HD23 LEU A 510 -3.878 -3.654 -8.886 1.00 15.00 H new ATOM 701 N PRO B 205 5.230 1.727 5.860 1.00 15.00 N ATOM 702 CA PRO B 205 5.606 2.101 4.492 1.00 15.00 C ATOM 703 C PRO B 205 5.732 3.610 4.289 1.00 15.00 C ATOM 704 O PRO B 205 4.726 4.310 4.213 1.00 15.00 O ATOM 705 CB PRO B 205 4.434 1.569 3.657 1.00 15.00 C ATOM 706 CG PRO B 205 3.310 1.463 4.613 1.00 15.00 C ATOM 707 CD PRO B 205 3.945 1.018 5.886 1.00 15.00 C ATOM 0 HA PRO B 205 6.583 1.699 4.226 1.00 15.00 H new ATOM 0 HB2 PRO B 205 4.194 2.245 2.836 1.00 15.00 H new ATOM 0 HB3 PRO B 205 4.670 0.601 3.214 1.00 15.00 H new ATOM 0 HG2 PRO B 205 2.802 2.419 4.736 1.00 15.00 H new ATOM 0 HG3 PRO B 205 2.563 0.747 4.270 1.00 15.00 H new ATOM 0 HD2 PRO B 205 3.347 1.291 6.756 1.00 15.00 H new ATOM 0 HD3 PRO B 205 4.078 -0.063 5.918 1.00 15.00 H new ATOM 715 N ASN B 206 6.957 4.117 4.280 1.00 15.00 N ATOM 716 CA ASN B 206 7.194 5.508 3.906 1.00 15.00 C ATOM 717 C ASN B 206 8.118 5.614 2.694 1.00 15.00 C ATOM 718 O ASN B 206 8.226 6.667 2.074 1.00 15.00 O ATOM 719 CB ASN B 206 7.723 6.315 5.096 1.00 15.00 C ATOM 720 CG ASN B 206 8.105 7.737 4.734 1.00 15.00 C ATOM 721 OD1 ASN B 206 9.273 8.038 4.487 1.00 15.00 O ATOM 722 ND2 ASN B 206 7.120 8.620 4.695 1.00 15.00 N ATOM 0 H ASN B 206 7.797 3.593 4.525 1.00 15.00 H new ATOM 0 HA ASN B 206 6.237 5.941 3.615 1.00 15.00 H new ATOM 0 HB2 ASN B 206 6.963 6.338 5.877 1.00 15.00 H new ATOM 0 HB3 ASN B 206 8.593 5.807 5.512 1.00 15.00 H new ATOM 0 HD21 ASN B 206 7.315 9.592 4.453 1.00 15.00 H new ATOM 0 HD22 ASN B 206 6.166 8.329 4.907 1.00 15.00 H new ATOM 729 N LEU B 207 8.797 4.525 2.366 1.00 15.00 N ATOM 730 CA LEU B 207 9.681 4.511 1.209 1.00 15.00 C ATOM 731 C LEU B 207 8.878 4.569 -0.093 1.00 15.00 C ATOM 732 O LEU B 207 8.194 3.611 -0.466 1.00 15.00 O ATOM 733 CB LEU B 207 10.604 3.277 1.223 1.00 15.00 C ATOM 734 CG LEU B 207 9.921 1.901 1.095 1.00 15.00 C ATOM 735 CD1 LEU B 207 10.940 0.846 0.707 1.00 15.00 C ATOM 736 CD2 LEU B 207 9.231 1.499 2.392 1.00 15.00 C ATOM 0 H LEU B 207 8.754 3.645 2.880 1.00 15.00 H new ATOM 0 HA LEU B 207 10.310 5.400 1.264 1.00 15.00 H new ATOM 0 HB2 LEU B 207 11.320 3.379 0.408 1.00 15.00 H new ATOM 0 HB3 LEU B 207 11.174 3.289 2.152 1.00 15.00 H new ATOM 0 HG LEU B 207 9.162 1.977 0.316 1.00 15.00 H new ATOM 0 HD11 LEU B 207 10.446 -0.122 0.619 1.00 15.00 H new ATOM 0 HD12 LEU B 207 11.392 1.111 -0.249 1.00 15.00 H new ATOM 0 HD13 LEU B 207 11.715 0.790 1.471 1.00 15.00 H new ATOM 0 HD21 LEU B 207 8.760 0.524 2.266 1.00 15.00 H new ATOM 0 HD22 LEU B 207 9.967 1.446 3.194 1.00 15.00 H new ATOM 0 HD23 LEU B 207 8.472 2.239 2.645 1.00 15.00 H new