USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 390 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 Set 1.1: A 301 HIS : no HE2:sc= 0.409! C(o=1.3!,f=-9.9!) USER MOD Set 1.2: B 211 TYR OH : rot 27:sc= 0.938! USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 291 THR OG1 : rot -150:sc= -0.725 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= 0 USER MOD Single : A 302 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 303 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 305 THR OG1 : rot 72:sc= -0.998! USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 307 GLN : amide:sc= 1.04 K(o=1,f=-0.047) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : A 314 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-6.5!) USER MOD Single : B 206 SER OG : rot 180:sc= 0.00765 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 168:sc= -0.079 (180deg=-0.397) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 17.054 5.294 -4.137 1.00 15.00 N ATOM 2 CA GLY A 280 16.437 6.447 -4.832 1.00 15.00 C ATOM 3 C GLY A 280 15.074 6.784 -4.264 1.00 15.00 C ATOM 4 O GLY A 280 14.743 6.361 -3.155 1.00 15.00 O ATOM 0 HA2 GLY A 280 17.091 7.315 -4.747 1.00 15.00 H new ATOM 0 HA3 GLY A 280 16.342 6.223 -5.894 1.00 15.00 H new ATOM 10 N PRO A 281 14.264 7.553 -5.001 1.00 15.00 N ATOM 11 CA PRO A 281 12.934 7.966 -4.555 1.00 15.00 C ATOM 12 C PRO A 281 11.874 6.893 -4.792 1.00 15.00 C ATOM 13 O PRO A 281 12.083 5.950 -5.560 1.00 15.00 O ATOM 14 CB PRO A 281 12.658 9.189 -5.425 1.00 15.00 C ATOM 15 CG PRO A 281 13.380 8.914 -6.699 1.00 15.00 C ATOM 16 CD PRO A 281 14.586 8.086 -6.338 1.00 15.00 C ATOM 0 HA PRO A 281 12.898 8.157 -3.483 1.00 15.00 H new ATOM 0 HB2 PRO A 281 11.590 9.321 -5.595 1.00 15.00 H new ATOM 0 HB3 PRO A 281 13.021 10.102 -4.953 1.00 15.00 H new ATOM 0 HG2 PRO A 281 12.739 8.380 -7.401 1.00 15.00 H new ATOM 0 HG3 PRO A 281 13.679 9.843 -7.184 1.00 15.00 H new ATOM 0 HD2 PRO A 281 14.750 7.285 -7.058 1.00 15.00 H new ATOM 0 HD3 PRO A 281 15.494 8.689 -6.320 1.00 15.00 H new ATOM 24 N LEU A 282 10.728 7.057 -4.147 1.00 15.00 N ATOM 25 CA LEU A 282 9.619 6.130 -4.304 1.00 15.00 C ATOM 26 C LEU A 282 8.828 6.472 -5.566 1.00 15.00 C ATOM 27 O LEU A 282 8.325 7.591 -5.705 1.00 15.00 O ATOM 28 CB LEU A 282 8.706 6.194 -3.074 1.00 15.00 C ATOM 29 CG LEU A 282 7.564 5.175 -3.048 1.00 15.00 C ATOM 30 CD1 LEU A 282 8.107 3.761 -2.897 1.00 15.00 C ATOM 31 CD2 LEU A 282 6.591 5.495 -1.924 1.00 15.00 C ATOM 0 H LEU A 282 10.542 7.829 -3.506 1.00 15.00 H new ATOM 0 HA LEU A 282 10.012 5.118 -4.399 1.00 15.00 H new ATOM 0 HB2 LEU A 282 9.316 6.052 -2.182 1.00 15.00 H new ATOM 0 HB3 LEU A 282 8.278 7.195 -3.012 1.00 15.00 H new ATOM 0 HG LEU A 282 7.030 5.236 -3.996 1.00 15.00 H new ATOM 0 HD11 LEU A 282 7.278 3.053 -2.881 1.00 15.00 H new ATOM 0 HD12 LEU A 282 8.764 3.532 -3.736 1.00 15.00 H new ATOM 0 HD13 LEU A 282 8.668 3.684 -1.966 1.00 15.00 H new ATOM 0 HD21 LEU A 282 5.785 4.761 -1.920 1.00 15.00 H new ATOM 0 HD22 LEU A 282 7.115 5.464 -0.969 1.00 15.00 H new ATOM 0 HD23 LEU A 282 6.174 6.490 -2.076 1.00 15.00 H new ATOM 43 N PRO A 283 8.735 5.518 -6.509 1.00 15.00 N ATOM 44 CA PRO A 283 7.981 5.697 -7.757 1.00 15.00 C ATOM 45 C PRO A 283 6.525 6.081 -7.501 1.00 15.00 C ATOM 46 O PRO A 283 5.883 5.536 -6.602 1.00 15.00 O ATOM 47 CB PRO A 283 8.056 4.318 -8.422 1.00 15.00 C ATOM 48 CG PRO A 283 9.268 3.678 -7.840 1.00 15.00 C ATOM 49 CD PRO A 283 9.370 4.192 -6.434 1.00 15.00 C ATOM 0 HA PRO A 283 8.390 6.502 -8.367 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.161 3.731 -8.216 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.137 4.406 -9.505 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.180 2.592 -7.853 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.158 3.933 -8.415 1.00 15.00 H new ATOM 0 HD2 PRO A 283 8.855 3.539 -5.729 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.407 4.261 -6.106 1.00 15.00 H new ATOM 57 N PRO A 284 5.975 7.001 -8.317 1.00 15.00 N ATOM 58 CA PRO A 284 4.601 7.511 -8.151 1.00 15.00 C ATOM 59 C PRO A 284 3.531 6.434 -8.341 1.00 15.00 C ATOM 60 O PRO A 284 2.341 6.684 -8.149 1.00 15.00 O ATOM 61 CB PRO A 284 4.479 8.589 -9.234 1.00 15.00 C ATOM 62 CG PRO A 284 5.522 8.242 -10.238 1.00 15.00 C ATOM 63 CD PRO A 284 6.654 7.630 -9.464 1.00 15.00 C ATOM 0 HA PRO A 284 4.437 7.883 -7.139 1.00 15.00 H new ATOM 0 HB2 PRO A 284 3.485 8.589 -9.681 1.00 15.00 H new ATOM 0 HB3 PRO A 284 4.643 9.584 -8.821 1.00 15.00 H new ATOM 0 HG2 PRO A 284 5.133 7.543 -10.979 1.00 15.00 H new ATOM 0 HG3 PRO A 284 5.853 9.128 -10.779 1.00 15.00 H new ATOM 0 HD2 PRO A 284 7.200 6.898 -10.060 1.00 15.00 H new ATOM 0 HD3 PRO A 284 7.375 8.382 -9.143 1.00 15.00 H new ATOM 71 N GLY A 285 3.957 5.243 -8.738 1.00 15.00 N ATOM 72 CA GLY A 285 3.041 4.130 -8.842 1.00 15.00 C ATOM 73 C GLY A 285 2.745 3.534 -7.483 1.00 15.00 C ATOM 74 O GLY A 285 1.745 2.837 -7.300 1.00 15.00 O ATOM 0 H GLY A 285 4.922 5.030 -8.990 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.112 4.462 -9.306 1.00 15.00 H new ATOM 0 HA3 GLY A 285 3.466 3.365 -9.492 1.00 15.00 H new ATOM 78 N TRP A 286 3.620 3.828 -6.527 1.00 15.00 N ATOM 79 CA TRP A 286 3.475 3.341 -5.166 1.00 15.00 C ATOM 80 C TRP A 286 2.773 4.370 -4.294 1.00 15.00 C ATOM 81 O TRP A 286 3.376 5.357 -3.873 1.00 15.00 O ATOM 82 CB TRP A 286 4.849 2.979 -4.574 1.00 15.00 C ATOM 83 CG TRP A 286 5.329 1.640 -5.029 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.686 1.290 -6.298 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.478 0.463 -4.225 1.00 15.00 C ATOM 86 NE1 TRP A 286 6.017 -0.041 -6.344 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.894 -0.573 -5.089 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.291 0.169 -2.866 1.00 15.00 C ATOM 89 CZ2 TRP A 286 6.113 -1.872 -4.644 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.507 -1.122 -2.437 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.904 -2.130 -3.320 1.00 15.00 C ATOM 0 H TRP A 286 4.445 4.408 -6.676 1.00 15.00 H new ATOM 0 HA TRP A 286 2.860 2.441 -5.191 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.576 3.739 -4.859 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.787 2.989 -3.486 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.705 1.962 -7.143 1.00 15.00 H new ATOM 0 HE1 TRP A 286 6.308 -0.551 -7.178 1.00 15.00 H new ATOM 0 HE3 TRP A 286 4.985 0.938 -2.172 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.437 -2.649 -5.321 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.366 -1.361 -1.393 1.00 15.00 H new ATOM 0 HH2 TRP A 286 6.048 -3.133 -2.947 1.00 15.00 H new ATOM 102 N GLU A 287 1.483 4.159 -4.065 1.00 15.00 N ATOM 103 CA GLU A 287 0.729 5.009 -3.167 1.00 15.00 C ATOM 104 C GLU A 287 0.790 4.414 -1.767 1.00 15.00 C ATOM 105 O GLU A 287 0.298 3.309 -1.518 1.00 15.00 O ATOM 106 CB GLU A 287 -0.710 5.156 -3.670 1.00 15.00 C ATOM 107 CG GLU A 287 -1.679 5.746 -2.658 1.00 15.00 C ATOM 108 CD GLU A 287 -1.332 7.164 -2.258 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.790 8.101 -2.942 1.00 15.00 O ATOM 110 OE2 GLU A 287 -0.615 7.343 -1.252 1.00 15.00 O1- ATOM 0 H GLU A 287 0.942 3.406 -4.491 1.00 15.00 H new ATOM 0 HA GLU A 287 1.159 6.010 -3.134 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.707 5.786 -4.560 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -1.076 4.176 -3.975 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.686 5.729 -3.076 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.693 5.117 -1.768 1.00 15.00 H new ATOM 117 N VAL A 288 1.432 5.142 -0.869 1.00 15.00 N ATOM 118 CA VAL A 288 1.745 4.638 0.456 1.00 15.00 C ATOM 119 C VAL A 288 0.745 5.138 1.500 1.00 15.00 C ATOM 120 O VAL A 288 0.734 6.313 1.877 1.00 15.00 O ATOM 121 CB VAL A 288 3.194 5.013 0.858 1.00 15.00 C ATOM 122 CG1 VAL A 288 3.449 6.506 0.694 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.495 4.573 2.279 1.00 15.00 C ATOM 0 H VAL A 288 1.750 6.096 -1.038 1.00 15.00 H new ATOM 0 HA VAL A 288 1.667 3.551 0.421 1.00 15.00 H new ATOM 0 HB VAL A 288 3.867 4.483 0.185 1.00 15.00 H new ATOM 0 HG11 VAL A 288 4.474 6.734 0.985 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.295 6.789 -0.347 1.00 15.00 H new ATOM 0 HG13 VAL A 288 2.760 7.065 1.327 1.00 15.00 H new ATOM 0 HG21 VAL A 288 4.518 4.848 2.536 1.00 15.00 H new ATOM 0 HG22 VAL A 288 2.804 5.062 2.965 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.379 3.492 2.357 1.00 15.00 H new ATOM 133 N ARG A 289 -0.103 4.235 1.963 1.00 15.00 N ATOM 134 CA ARG A 289 -1.124 4.579 2.938 1.00 15.00 C ATOM 135 C ARG A 289 -0.975 3.721 4.190 1.00 15.00 C ATOM 136 O ARG A 289 -0.589 2.557 4.111 1.00 15.00 O ATOM 137 CB ARG A 289 -2.515 4.413 2.315 1.00 15.00 C ATOM 138 CG ARG A 289 -2.771 5.343 1.142 1.00 15.00 C ATOM 139 CD ARG A 289 -2.454 6.790 1.488 1.00 15.00 C ATOM 140 NE ARG A 289 -3.313 7.311 2.552 1.00 15.00 N ATOM 141 CZ ARG A 289 -3.035 8.406 3.263 1.00 15.00 C ATOM 142 NH1 ARG A 289 -1.928 9.097 3.013 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -3.886 8.827 4.195 1.00 15.00 N ATOM 0 H ARG A 289 -0.104 3.256 1.678 1.00 15.00 H new ATOM 0 HA ARG A 289 -1.001 5.621 3.232 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.634 3.382 1.983 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -3.270 4.591 3.080 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -2.164 5.031 0.292 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.814 5.263 0.836 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -1.411 6.867 1.796 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -2.569 7.407 0.597 1.00 15.00 H new ATOM 0 HE ARG A 289 -4.175 6.808 2.763 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -1.291 8.791 2.278 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -1.715 9.934 3.556 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -4.750 8.313 4.366 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -3.674 9.664 4.739 1.00 15.00 H new ATOM 157 N SER A 290 -1.286 4.297 5.341 1.00 15.00 N ATOM 158 CA SER A 290 -1.110 3.618 6.618 1.00 15.00 C ATOM 159 C SER A 290 -2.410 3.598 7.426 1.00 15.00 C ATOM 160 O SER A 290 -3.208 4.532 7.354 1.00 15.00 O ATOM 161 CB SER A 290 -0.002 4.317 7.406 1.00 15.00 C ATOM 162 OG SER A 290 -0.102 5.729 7.287 1.00 15.00 O ATOM 0 H SER A 290 -1.665 5.241 5.418 1.00 15.00 H new ATOM 0 HA SER A 290 -0.831 2.582 6.428 1.00 15.00 H new ATOM 0 HB2 SER A 290 -0.063 4.032 8.456 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.971 3.986 7.043 1.00 15.00 H new ATOM 0 HG SER A 290 0.617 6.152 7.801 1.00 15.00 H new ATOM 168 N THR A 291 -2.608 2.533 8.196 1.00 15.00 N ATOM 169 CA THR A 291 -3.773 2.410 9.067 1.00 15.00 C ATOM 170 C THR A 291 -3.385 2.661 10.522 1.00 15.00 C ATOM 171 O THR A 291 -2.255 2.367 10.928 1.00 15.00 O ATOM 172 CB THR A 291 -4.438 1.019 8.958 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.437 -0.009 8.971 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.276 0.908 7.694 1.00 15.00 C ATOM 0 H THR A 291 -1.972 1.737 8.235 1.00 15.00 H new ATOM 0 HA THR A 291 -4.491 3.161 8.737 1.00 15.00 H new ATOM 0 HB THR A 291 -5.097 0.893 9.817 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.752 -0.779 8.452 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.731 -0.081 7.645 1.00 15.00 H new ATOM 0 HG22 THR A 291 -6.058 1.667 7.708 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.640 1.059 6.822 1.00 15.00 H new ATOM 182 N VAL A 292 -4.334 3.181 11.302 1.00 15.00 N ATOM 183 CA VAL A 292 -4.100 3.545 12.704 1.00 15.00 C ATOM 184 C VAL A 292 -3.702 2.325 13.544 1.00 15.00 C ATOM 185 O VAL A 292 -3.200 2.457 14.661 1.00 15.00 O ATOM 186 CB VAL A 292 -5.354 4.218 13.319 1.00 15.00 C ATOM 187 CG1 VAL A 292 -6.490 3.215 13.490 1.00 15.00 C ATOM 188 CG2 VAL A 292 -5.019 4.892 14.644 1.00 15.00 C ATOM 0 H VAL A 292 -5.285 3.362 10.982 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.274 4.256 12.717 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.691 4.988 12.625 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -7.356 3.716 13.923 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -6.759 2.801 12.518 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -6.168 2.410 14.151 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -5.916 5.356 15.053 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -4.643 4.148 15.346 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -4.258 5.655 14.482 1.00 15.00 H new ATOM 198 N SER A 293 -3.925 1.138 12.996 1.00 15.00 N ATOM 199 CA SER A 293 -3.499 -0.100 13.630 1.00 15.00 C ATOM 200 C SER A 293 -1.971 -0.183 13.693 1.00 15.00 C ATOM 201 O SER A 293 -1.413 -1.017 14.403 1.00 15.00 O ATOM 202 CB SER A 293 -4.059 -1.301 12.868 1.00 15.00 C ATOM 203 OG SER A 293 -5.464 -1.193 12.720 1.00 15.00 O ATOM 0 H SER A 293 -4.404 1.007 12.105 1.00 15.00 H new ATOM 0 HA SER A 293 -3.885 -0.113 14.649 1.00 15.00 H new ATOM 0 HB2 SER A 293 -3.589 -1.366 11.886 1.00 15.00 H new ATOM 0 HB3 SER A 293 -3.815 -2.221 13.400 1.00 15.00 H new ATOM 0 HG SER A 293 -5.802 -1.971 12.228 1.00 15.00 H new ATOM 209 N GLY A 294 -1.307 0.678 12.930 1.00 15.00 N ATOM 210 CA GLY A 294 0.136 0.623 12.827 1.00 15.00 C ATOM 211 C GLY A 294 0.568 -0.275 11.696 1.00 15.00 C ATOM 212 O GLY A 294 1.651 -0.856 11.720 1.00 15.00 O ATOM 0 H GLY A 294 -1.746 1.416 12.379 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.530 1.627 12.669 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.557 0.259 13.765 1.00 15.00 H new ATOM 216 N ARG A 295 -0.290 -0.383 10.693 1.00 15.00 N ATOM 217 CA ARG A 295 -0.009 -1.225 9.544 1.00 15.00 C ATOM 218 C ARG A 295 0.092 -0.389 8.283 1.00 15.00 C ATOM 219 O ARG A 295 -0.792 0.415 7.986 1.00 15.00 O ATOM 220 CB ARG A 295 -1.094 -2.290 9.359 1.00 15.00 C ATOM 221 CG ARG A 295 -1.096 -3.357 10.437 1.00 15.00 C ATOM 222 CD ARG A 295 -2.059 -4.489 10.112 1.00 15.00 C ATOM 223 NE ARG A 295 -3.456 -4.052 10.126 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.489 -4.873 9.943 1.00 15.00 C ATOM 225 NH1 ARG A 295 -4.278 -6.170 9.758 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.733 -4.399 9.963 1.00 15.00 N ATOM 0 H ARG A 295 -1.186 0.102 10.653 1.00 15.00 H new ATOM 0 HA ARG A 295 0.944 -1.722 9.728 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -2.069 -1.803 9.342 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.959 -2.768 8.389 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -0.089 -3.759 10.552 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -1.372 -2.908 11.391 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.818 -4.897 9.130 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.926 -5.295 10.834 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.649 -3.063 10.285 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -3.326 -6.537 9.756 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -5.068 -6.800 9.618 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.897 -3.404 10.119 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.522 -5.030 9.823 1.00 15.00 H new ATOM 240 N ILE A 296 1.154 -0.607 7.533 1.00 15.00 N ATOM 241 CA ILE A 296 1.333 0.058 6.259 1.00 15.00 C ATOM 242 C ILE A 296 0.693 -0.808 5.180 1.00 15.00 C ATOM 243 O ILE A 296 0.687 -2.031 5.300 1.00 15.00 O ATOM 244 CB ILE A 296 2.836 0.283 5.960 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.022 1.164 4.725 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.565 -1.044 5.787 1.00 15.00 C ATOM 247 CD1 ILE A 296 2.526 2.579 4.919 1.00 15.00 C ATOM 0 H ILE A 296 1.910 -1.243 7.786 1.00 15.00 H new ATOM 0 HA ILE A 296 0.858 1.039 6.283 1.00 15.00 H new ATOM 0 HB ILE A 296 3.271 0.799 6.816 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.079 1.190 4.462 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.495 0.714 3.884 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.618 -0.856 5.578 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.475 -1.630 6.702 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.123 -1.596 4.957 1.00 15.00 H new ATOM 0 HD11 ILE A 296 2.688 3.150 4.005 1.00 15.00 H new ATOM 0 HD12 ILE A 296 1.461 2.563 5.153 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.070 3.046 5.740 1.00 15.00 H new ATOM 259 N TYR A 297 0.140 -0.195 4.147 1.00 15.00 N ATOM 260 CA TYR A 297 -0.607 -0.952 3.163 1.00 15.00 C ATOM 261 C TYR A 297 -0.507 -0.286 1.818 1.00 15.00 C ATOM 262 O TYR A 297 -0.761 0.912 1.662 1.00 15.00 O ATOM 263 CB TYR A 297 -2.077 -1.163 3.578 1.00 15.00 C ATOM 264 CG TYR A 297 -2.989 0.049 3.512 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.126 0.902 4.599 1.00 15.00 C ATOM 266 CD2 TYR A 297 -3.745 0.310 2.371 1.00 15.00 C ATOM 267 CE1 TYR A 297 -3.991 1.981 4.551 1.00 15.00 C ATOM 268 CE2 TYR A 297 -4.603 1.391 2.316 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.724 2.220 3.411 1.00 15.00 C ATOM 270 OH TYR A 297 -5.587 3.294 3.364 1.00 15.00 O ATOM 0 H TYR A 297 0.193 0.808 3.971 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.162 -1.945 3.098 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.500 -1.941 2.943 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -2.090 -1.543 4.600 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -2.550 0.721 5.494 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -3.659 -0.344 1.516 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.091 2.634 5.406 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -5.175 1.586 1.421 1.00 15.00 H new ATOM 0 HH TYR A 297 -6.027 3.322 2.489 1.00 15.00 H new ATOM 280 N PHE A 298 -0.098 -1.065 0.856 1.00 15.00 N ATOM 281 CA PHE A 298 0.119 -0.566 -0.458 1.00 15.00 C ATOM 282 C PHE A 298 -1.038 -0.725 -1.386 1.00 15.00 C ATOM 283 O PHE A 298 -1.748 -1.731 -1.388 1.00 15.00 O ATOM 284 CB PHE A 298 1.343 -1.200 -1.042 1.00 15.00 C ATOM 285 CG PHE A 298 2.512 -0.381 -0.718 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.564 0.911 -1.199 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.542 -0.866 0.058 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.628 1.711 -0.922 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.624 -0.069 0.332 1.00 15.00 C ATOM 290 CZ PHE A 298 4.658 1.219 -0.164 1.00 15.00 C ATOM 0 H PHE A 298 0.092 -2.061 0.968 1.00 15.00 H new ATOM 0 HA PHE A 298 0.254 0.510 -0.350 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.469 -2.208 -0.646 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.238 -1.293 -2.123 1.00 15.00 H new ATOM 0 HD1 PHE A 298 1.752 1.291 -1.801 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.497 -1.872 0.450 1.00 15.00 H new ATOM 0 HE1 PHE A 298 3.661 2.724 -1.296 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.441 -0.445 0.930 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.509 1.848 0.049 1.00 15.00 H new ATOM 300 N VAL A 299 -1.157 0.289 -2.207 1.00 15.00 N ATOM 301 CA VAL A 299 -2.112 0.330 -3.279 1.00 15.00 C ATOM 302 C VAL A 299 -1.401 0.885 -4.516 1.00 15.00 C ATOM 303 O VAL A 299 -1.119 2.083 -4.629 1.00 15.00 O ATOM 304 CB VAL A 299 -3.389 1.144 -2.901 1.00 15.00 C ATOM 305 CG1 VAL A 299 -4.181 0.432 -1.812 1.00 15.00 C ATOM 306 CG2 VAL A 299 -3.056 2.547 -2.430 1.00 15.00 C ATOM 0 H VAL A 299 -0.578 1.126 -2.144 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.477 -0.675 -3.491 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.989 1.218 -3.808 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -5.067 1.017 -1.564 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.485 -0.553 -2.168 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.559 0.321 -0.924 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.976 3.074 -2.179 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.416 2.493 -1.549 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.536 3.083 -3.224 1.00 15.00 H new ATOM 316 N ASP A 300 -1.013 -0.029 -5.393 1.00 15.00 N ATOM 317 CA ASP A 300 -0.220 0.323 -6.563 1.00 15.00 C ATOM 318 C ASP A 300 -1.129 0.645 -7.740 1.00 15.00 C ATOM 319 O ASP A 300 -2.093 -0.079 -8.011 1.00 15.00 O ATOM 320 CB ASP A 300 0.769 -0.809 -6.903 1.00 15.00 C ATOM 321 CG ASP A 300 0.536 -1.445 -8.261 1.00 15.00 C ATOM 322 OD1 ASP A 300 1.041 -0.914 -9.273 1.00 15.00 O ATOM 323 OD2 ASP A 300 -0.140 -2.488 -8.320 1.00 15.00 O1- ATOM 0 H ASP A 300 -1.235 -1.022 -5.317 1.00 15.00 H new ATOM 0 HA ASP A 300 0.364 1.216 -6.340 1.00 15.00 H new ATOM 0 HB2 ASP A 300 1.784 -0.413 -6.868 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.701 -1.580 -6.136 1.00 15.00 H new ATOM 328 N HIS A 301 -0.799 1.735 -8.432 1.00 15.00 N ATOM 329 CA HIS A 301 -1.635 2.269 -9.508 1.00 15.00 C ATOM 330 C HIS A 301 -1.442 1.537 -10.834 1.00 15.00 C ATOM 331 O HIS A 301 -2.255 1.684 -11.746 1.00 15.00 O ATOM 332 CB HIS A 301 -1.344 3.755 -9.739 1.00 15.00 C ATOM 333 CG HIS A 301 -2.040 4.693 -8.802 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.403 4.693 -8.612 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.558 5.715 -8.055 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.730 5.685 -7.805 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.629 6.318 -7.448 1.00 15.00 N ATOM 0 H HIS A 301 0.052 2.271 -8.264 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.664 2.123 -9.179 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.269 3.916 -9.657 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.627 4.010 -10.760 1.00 15.00 H new ATOM 0 HD1 HIS A 301 -4.057 4.031 -9.029 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.521 6.002 -7.956 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.732 5.937 -7.490 1.00 15.00 H new ATOM 346 N ASN A 302 -0.365 0.781 -10.965 1.00 15.00 N ATOM 347 CA ASN A 302 -0.056 0.150 -12.242 1.00 15.00 C ATOM 348 C ASN A 302 -0.740 -1.199 -12.351 1.00 15.00 C ATOM 349 O ASN A 302 -1.496 -1.455 -13.289 1.00 15.00 O ATOM 350 CB ASN A 302 1.456 -0.019 -12.430 1.00 15.00 C ATOM 351 CG ASN A 302 2.199 1.302 -12.452 1.00 15.00 C ATOM 352 OD1 ASN A 302 1.644 2.338 -12.817 1.00 15.00 O ATOM 353 ND2 ASN A 302 3.466 1.273 -12.070 1.00 15.00 N ATOM 0 H ASN A 302 0.302 0.590 -10.217 1.00 15.00 H new ATOM 0 HA ASN A 302 -0.429 0.805 -13.029 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.850 -0.638 -11.624 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.644 -0.551 -13.362 1.00 15.00 H new ATOM 0 HD21 ASN A 302 4.019 2.130 -12.071 1.00 15.00 H new ATOM 0 HD22 ASN A 302 3.890 0.393 -11.774 1.00 15.00 H new ATOM 360 N ASN A 303 -0.477 -2.055 -11.381 1.00 15.00 N ATOM 361 CA ASN A 303 -1.026 -3.404 -11.376 1.00 15.00 C ATOM 362 C ASN A 303 -2.356 -3.434 -10.629 1.00 15.00 C ATOM 363 O ASN A 303 -3.113 -4.400 -10.731 1.00 15.00 O ATOM 364 CB ASN A 303 -0.044 -4.390 -10.732 1.00 15.00 C ATOM 365 CG ASN A 303 1.362 -4.280 -11.294 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.719 -4.965 -12.254 1.00 15.00 O ATOM 367 ND2 ASN A 303 2.171 -3.409 -10.701 1.00 15.00 N ATOM 0 H ASN A 303 0.117 -1.841 -10.580 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.192 -3.705 -12.410 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.014 -4.214 -9.657 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.409 -5.406 -10.879 1.00 15.00 H new ATOM 0 HD21 ASN A 303 3.126 -3.289 -11.038 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.837 -2.861 -9.908 1.00 15.00 H new ATOM 374 N ARG A 304 -2.617 -2.365 -9.875 1.00 15.00 N ATOM 375 CA ARG A 304 -3.766 -2.276 -8.977 1.00 15.00 C ATOM 376 C ARG A 304 -3.675 -3.382 -7.936 1.00 15.00 C ATOM 377 O ARG A 304 -4.411 -4.370 -7.983 1.00 15.00 O ATOM 378 CB ARG A 304 -5.126 -2.311 -9.705 1.00 15.00 C ATOM 379 CG ARG A 304 -5.315 -1.217 -10.757 1.00 15.00 C ATOM 380 CD ARG A 304 -4.625 -1.539 -12.076 1.00 15.00 C ATOM 381 NE ARG A 304 -5.298 -2.619 -12.797 1.00 15.00 N ATOM 382 CZ ARG A 304 -4.773 -3.281 -13.828 1.00 15.00 C ATOM 383 NH1 ARG A 304 -3.544 -3.011 -14.253 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -5.484 -4.223 -14.433 1.00 15.00 N ATOM 0 H ARG A 304 -2.031 -1.530 -9.872 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.724 -1.300 -8.493 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.241 -3.282 -10.186 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -5.922 -2.226 -8.965 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -6.380 -1.072 -10.936 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.926 -0.276 -10.369 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -4.602 -0.646 -12.700 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -3.590 -1.821 -11.884 1.00 15.00 H new ATOM 0 HE ARG A 304 -6.234 -2.884 -12.490 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -2.991 -2.290 -13.789 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -3.153 -3.524 -15.043 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -6.427 -4.437 -14.109 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -5.088 -4.733 -15.222 1.00 15.00 H new ATOM 398 N THR A 305 -2.710 -3.236 -7.038 1.00 15.00 N ATOM 399 CA THR A 305 -2.405 -4.286 -6.069 1.00 15.00 C ATOM 400 C THR A 305 -2.443 -3.762 -4.636 1.00 15.00 C ATOM 401 O THR A 305 -2.148 -2.593 -4.388 1.00 15.00 O ATOM 402 CB THR A 305 -1.011 -4.885 -6.345 1.00 15.00 C ATOM 403 OG1 THR A 305 -0.801 -4.984 -7.757 1.00 15.00 O ATOM 404 CG2 THR A 305 -0.865 -6.265 -5.714 1.00 15.00 C ATOM 0 H THR A 305 -2.125 -2.404 -6.958 1.00 15.00 H new ATOM 0 HA THR A 305 -3.170 -5.055 -6.179 1.00 15.00 H new ATOM 0 HB THR A 305 -0.266 -4.225 -5.901 1.00 15.00 H new ATOM 0 HG1 THR A 305 -0.671 -4.088 -8.132 1.00 15.00 H new ATOM 0 HG21 THR A 305 0.129 -6.659 -5.927 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.001 -6.188 -4.635 1.00 15.00 H new ATOM 0 HG23 THR A 305 -1.618 -6.936 -6.128 1.00 15.00 H new ATOM 412 N THR A 306 -2.816 -4.633 -3.707 1.00 15.00 N ATOM 413 CA THR A 306 -2.808 -4.310 -2.290 1.00 15.00 C ATOM 414 C THR A 306 -1.831 -5.222 -1.543 1.00 15.00 C ATOM 415 O THR A 306 -1.976 -6.444 -1.560 1.00 15.00 O ATOM 416 CB THR A 306 -4.214 -4.462 -1.684 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.156 -3.701 -2.451 1.00 15.00 O ATOM 418 CG2 THR A 306 -4.232 -3.993 -0.239 1.00 15.00 C ATOM 0 H THR A 306 -3.131 -5.580 -3.916 1.00 15.00 H new ATOM 0 HA THR A 306 -2.490 -3.273 -2.185 1.00 15.00 H new ATOM 0 HB THR A 306 -4.489 -5.516 -1.709 1.00 15.00 H new ATOM 0 HG1 THR A 306 -6.050 -3.801 -2.063 1.00 15.00 H new ATOM 0 HG21 THR A 306 -5.236 -4.110 0.169 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.531 -4.589 0.346 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.942 -2.943 -0.194 1.00 15.00 H new ATOM 426 N GLN A 307 -0.830 -4.629 -0.901 1.00 15.00 N ATOM 427 CA GLN A 307 0.201 -5.400 -0.202 1.00 15.00 C ATOM 428 C GLN A 307 0.410 -4.890 1.223 1.00 15.00 C ATOM 429 O GLN A 307 0.603 -3.701 1.432 1.00 15.00 O ATOM 430 CB GLN A 307 1.527 -5.317 -0.964 1.00 15.00 C ATOM 431 CG GLN A 307 1.506 -6.001 -2.320 1.00 15.00 C ATOM 432 CD GLN A 307 1.405 -7.511 -2.211 1.00 15.00 C ATOM 433 OE1 GLN A 307 2.416 -8.209 -2.153 1.00 15.00 O ATOM 434 NE2 GLN A 307 0.188 -8.031 -2.169 1.00 15.00 N ATOM 0 H GLN A 307 -0.708 -3.618 -0.848 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.137 -6.435 -0.154 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.790 -4.268 -1.102 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.312 -5.765 -0.355 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.663 -5.625 -2.899 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.411 -5.740 -2.868 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -0.629 -7.422 -2.220 1.00 15.00 H new ATOM 0 HE22 GLN A 307 0.067 -9.040 -2.086 1.00 15.00 H new ATOM 443 N PHE A 308 0.385 -5.796 2.196 1.00 15.00 N ATOM 444 CA PHE A 308 0.726 -5.439 3.576 1.00 15.00 C ATOM 445 C PHE A 308 2.243 -5.473 3.777 1.00 15.00 C ATOM 446 O PHE A 308 2.756 -5.053 4.813 1.00 15.00 O ATOM 447 CB PHE A 308 0.041 -6.370 4.591 1.00 15.00 C ATOM 448 CG PHE A 308 -1.110 -5.735 5.335 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.161 -4.365 5.516 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.123 -6.509 5.875 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.198 -3.780 6.219 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.165 -5.929 6.572 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.203 -4.564 6.744 1.00 15.00 C ATOM 0 H PHE A 308 0.135 -6.775 2.060 1.00 15.00 H new ATOM 0 HA PHE A 308 0.362 -4.427 3.751 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.323 -7.254 4.068 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.783 -6.710 5.314 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.380 -3.744 5.103 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.098 -7.581 5.749 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.221 -2.709 6.357 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -3.950 -6.547 6.982 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.017 -4.109 7.288 1.00 15.00 H new ATOM 463 N THR A 309 2.949 -6.001 2.786 1.00 15.00 N ATOM 464 CA THR A 309 4.397 -6.085 2.834 1.00 15.00 C ATOM 465 C THR A 309 5.031 -4.824 2.248 1.00 15.00 C ATOM 466 O THR A 309 4.944 -4.582 1.043 1.00 15.00 O ATOM 467 CB THR A 309 4.907 -7.311 2.049 1.00 15.00 C ATOM 468 OG1 THR A 309 4.150 -8.478 2.403 1.00 15.00 O ATOM 469 CG2 THR A 309 6.380 -7.557 2.336 1.00 15.00 C ATOM 0 H THR A 309 2.535 -6.380 1.934 1.00 15.00 H new ATOM 0 HA THR A 309 4.682 -6.185 3.881 1.00 15.00 H new ATOM 0 HB THR A 309 4.782 -7.108 0.985 1.00 15.00 H new ATOM 0 HG1 THR A 309 4.482 -9.249 1.897 1.00 15.00 H new ATOM 0 HG21 THR A 309 6.720 -8.426 1.773 1.00 15.00 H new ATOM 0 HG22 THR A 309 6.959 -6.683 2.039 1.00 15.00 H new ATOM 0 HG23 THR A 309 6.518 -7.739 3.402 1.00 15.00 H new ATOM 477 N ASP A 310 5.650 -4.021 3.102 1.00 15.00 N ATOM 478 CA ASP A 310 6.373 -2.834 2.653 1.00 15.00 C ATOM 479 C ASP A 310 7.842 -3.192 2.421 1.00 15.00 C ATOM 480 O ASP A 310 8.560 -3.547 3.359 1.00 15.00 O ATOM 481 CB ASP A 310 6.257 -1.706 3.688 1.00 15.00 C ATOM 482 CG ASP A 310 6.816 -0.379 3.200 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.016 -0.316 2.875 1.00 15.00 O ATOM 484 OD2 ASP A 310 6.064 0.614 3.164 1.00 15.00 O1- ATOM 0 H ASP A 310 5.667 -4.168 4.111 1.00 15.00 H new ATOM 0 HA ASP A 310 5.934 -2.483 1.719 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.208 -1.574 3.955 1.00 15.00 H new ATOM 0 HB3 ASP A 310 6.782 -2.001 4.596 1.00 15.00 H new ATOM 489 N PRO A 311 8.303 -3.127 1.163 1.00 15.00 N ATOM 490 CA PRO A 311 9.679 -3.483 0.793 1.00 15.00 C ATOM 491 C PRO A 311 10.695 -2.434 1.236 1.00 15.00 C ATOM 492 O PRO A 311 11.902 -2.675 1.245 1.00 15.00 O ATOM 493 CB PRO A 311 9.617 -3.571 -0.730 1.00 15.00 C ATOM 494 CG PRO A 311 8.538 -2.619 -1.109 1.00 15.00 C ATOM 495 CD PRO A 311 7.514 -2.701 -0.008 1.00 15.00 C ATOM 0 HA PRO A 311 10.008 -4.404 1.274 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.569 -3.295 -1.184 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.388 -4.584 -1.061 1.00 15.00 H new ATOM 0 HG2 PRO A 311 8.927 -1.605 -1.207 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.100 -2.886 -2.071 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.030 -1.740 0.162 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.727 -3.417 -0.244 1.00 15.00 H new ATOM 503 N ARG A 312 10.191 -1.268 1.584 1.00 15.00 N ATOM 504 CA ARG A 312 11.017 -0.153 2.008 1.00 15.00 C ATOM 505 C ARG A 312 11.277 -0.239 3.512 1.00 15.00 C ATOM 506 O ARG A 312 12.181 0.405 4.043 1.00 15.00 O ATOM 507 CB ARG A 312 10.302 1.150 1.634 1.00 15.00 C ATOM 508 CG ARG A 312 10.765 2.386 2.379 1.00 15.00 C ATOM 509 CD ARG A 312 9.707 3.471 2.311 1.00 15.00 C ATOM 510 NE ARG A 312 8.401 2.969 2.747 1.00 15.00 N ATOM 511 CZ ARG A 312 7.425 3.736 3.230 1.00 15.00 C ATOM 512 NH1 ARG A 312 7.593 5.046 3.339 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 6.273 3.189 3.591 1.00 15.00 N ATOM 0 H ARG A 312 9.191 -1.065 1.581 1.00 15.00 H new ATOM 0 HA ARG A 312 11.985 -0.181 1.508 1.00 15.00 H new ATOM 0 HB2 ARG A 312 10.432 1.321 0.565 1.00 15.00 H new ATOM 0 HB3 ARG A 312 9.234 1.021 1.809 1.00 15.00 H new ATOM 0 HG2 ARG A 312 10.972 2.135 3.419 1.00 15.00 H new ATOM 0 HG3 ARG A 312 11.697 2.751 1.948 1.00 15.00 H new ATOM 0 HD2 ARG A 312 10.004 4.311 2.938 1.00 15.00 H new ATOM 0 HD3 ARG A 312 9.633 3.846 1.290 1.00 15.00 H new ATOM 0 HE ARG A 312 8.228 1.966 2.676 1.00 15.00 H new ATOM 0 HH11 ARG A 312 8.474 5.473 3.052 1.00 15.00 H new ATOM 0 HH12 ARG A 312 6.841 5.627 3.710 1.00 15.00 H new ATOM 0 HH21 ARG A 312 6.135 2.183 3.499 1.00 15.00 H new ATOM 0 HH22 ARG A 312 5.524 3.774 3.961 1.00 15.00 H new ATOM 527 N LEU A 313 10.472 -1.049 4.190 1.00 15.00 N ATOM 528 CA LEU A 313 10.567 -1.210 5.637 1.00 15.00 C ATOM 529 C LEU A 313 11.753 -2.096 6.031 1.00 15.00 C ATOM 530 O LEU A 313 12.182 -2.098 7.186 1.00 15.00 O ATOM 531 CB LEU A 313 9.244 -1.777 6.177 1.00 15.00 C ATOM 532 CG LEU A 313 9.183 -2.044 7.686 1.00 15.00 C ATOM 533 CD1 LEU A 313 7.838 -1.604 8.245 1.00 15.00 C ATOM 534 CD2 LEU A 313 9.407 -3.523 7.973 1.00 15.00 C ATOM 0 H LEU A 313 9.739 -1.610 3.756 1.00 15.00 H new ATOM 0 HA LEU A 313 10.744 -0.232 6.085 1.00 15.00 H new ATOM 0 HB2 LEU A 313 8.444 -1.082 5.920 1.00 15.00 H new ATOM 0 HB3 LEU A 313 9.034 -2.711 5.656 1.00 15.00 H new ATOM 0 HG LEU A 313 9.972 -1.469 8.171 1.00 15.00 H new ATOM 0 HD11 LEU A 313 7.808 -1.799 9.317 1.00 15.00 H new ATOM 0 HD12 LEU A 313 7.701 -0.537 8.066 1.00 15.00 H new ATOM 0 HD13 LEU A 313 7.040 -2.160 7.753 1.00 15.00 H new ATOM 0 HD21 LEU A 313 9.361 -3.696 9.048 1.00 15.00 H new ATOM 0 HD22 LEU A 313 8.635 -4.111 7.477 1.00 15.00 H new ATOM 0 HD23 LEU A 313 10.386 -3.822 7.599 1.00 15.00 H new ATOM 546 N HIS A 314 12.290 -2.846 5.079 1.00 15.00 N ATOM 547 CA HIS A 314 13.419 -3.722 5.373 1.00 15.00 C ATOM 548 C HIS A 314 14.651 -3.334 4.558 1.00 15.00 C ATOM 549 O HIS A 314 14.898 -3.949 3.504 1.00 15.00 O ATOM 550 CB HIS A 314 13.057 -5.210 5.173 1.00 15.00 C ATOM 551 CG HIS A 314 12.359 -5.551 3.881 1.00 15.00 C ATOM 552 ND1 HIS A 314 12.950 -5.435 2.646 1.00 15.00 N ATOM 553 CD2 HIS A 314 11.118 -6.047 3.651 1.00 15.00 C ATOM 554 CE1 HIS A 314 12.115 -5.844 1.713 1.00 15.00 C ATOM 555 NE2 HIS A 314 10.991 -6.224 2.294 1.00 15.00 N ATOM 556 OXT HIS A 314 15.374 -2.407 4.984 1.00 15.00 O ATOM 0 H HIS A 314 11.970 -2.868 4.111 1.00 15.00 H new ATOM 0 HA HIS A 314 13.665 -3.589 6.427 1.00 15.00 H new ATOM 0 HB2 HIS A 314 13.973 -5.798 5.235 1.00 15.00 H new ATOM 0 HB3 HIS A 314 12.421 -5.523 6.001 1.00 15.00 H new ATOM 0 HD1 HIS A 314 13.893 -5.085 2.477 1.00 15.00 H new ATOM 0 HD2 HIS A 314 10.368 -6.263 4.397 1.00 15.00 H new ATOM 0 HE1 HIS A 314 12.315 -5.865 0.652 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 2.524 -13.171 6.226 1.00 15.00 N ATOM 567 CA GLU B 203 1.844 -11.956 6.726 1.00 15.00 C ATOM 568 C GLU B 203 1.057 -12.269 7.991 1.00 15.00 C ATOM 569 O GLU B 203 1.224 -11.596 9.007 1.00 15.00 O ATOM 570 CB GLU B 203 0.898 -11.378 5.661 1.00 15.00 C ATOM 571 CG GLU B 203 1.598 -10.708 4.483 1.00 15.00 C ATOM 572 CD GLU B 203 2.437 -11.671 3.667 1.00 15.00 C ATOM 573 OE1 GLU B 203 3.553 -12.012 4.110 1.00 15.00 O ATOM 574 OE2 GLU B 203 1.980 -12.105 2.595 1.00 15.00 O1- ATOM 0 HA GLU B 203 2.610 -11.215 6.954 1.00 15.00 H new ATOM 0 HB2 GLU B 203 0.266 -12.181 5.282 1.00 15.00 H new ATOM 0 HB3 GLU B 203 0.239 -10.651 6.136 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.850 -10.249 3.837 1.00 15.00 H new ATOM 0 HG3 GLU B 203 2.235 -9.905 4.855 1.00 15.00 H new ATOM 583 N LEU B 204 0.190 -13.288 7.915 1.00 15.00 N ATOM 584 CA LEU B 204 -0.664 -13.679 9.043 1.00 15.00 C ATOM 585 C LEU B 204 -1.603 -12.538 9.416 1.00 15.00 C ATOM 586 O LEU B 204 -2.144 -12.493 10.523 1.00 15.00 O ATOM 587 CB LEU B 204 0.179 -14.080 10.266 1.00 15.00 C ATOM 588 CG LEU B 204 0.811 -15.478 10.229 1.00 15.00 C ATOM 589 CD1 LEU B 204 1.866 -15.585 9.137 1.00 15.00 C ATOM 590 CD2 LEU B 204 1.415 -15.813 11.583 1.00 15.00 C ATOM 0 H LEU B 204 0.062 -13.858 7.079 1.00 15.00 H new ATOM 0 HA LEU B 204 -1.252 -14.543 8.733 1.00 15.00 H new ATOM 0 HB2 LEU B 204 0.977 -13.347 10.386 1.00 15.00 H new ATOM 0 HB3 LEU B 204 -0.452 -14.013 11.153 1.00 15.00 H new ATOM 0 HG LEU B 204 0.024 -16.197 10.000 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.292 -16.588 9.140 1.00 15.00 H new ATOM 0 HD12 LEU B 204 1.408 -15.388 8.168 1.00 15.00 H new ATOM 0 HD13 LEU B 204 2.655 -14.855 9.320 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.861 -16.807 11.547 1.00 15.00 H new ATOM 0 HD22 LEU B 204 2.183 -15.080 11.830 1.00 15.00 H new ATOM 0 HD23 LEU B 204 0.635 -15.793 12.344 1.00 15.00 H new ATOM 602 N GLU B 205 -1.837 -11.652 8.462 1.00 15.00 N ATOM 603 CA GLU B 205 -2.574 -10.429 8.716 1.00 15.00 C ATOM 604 C GLU B 205 -4.044 -10.557 8.371 1.00 15.00 C ATOM 605 O GLU B 205 -4.424 -11.273 7.444 1.00 15.00 O ATOM 606 CB GLU B 205 -1.963 -9.278 7.923 1.00 15.00 C ATOM 607 CG GLU B 205 -0.748 -8.671 8.591 1.00 15.00 C ATOM 608 CD GLU B 205 -1.048 -8.278 10.020 1.00 15.00 C ATOM 609 OE1 GLU B 205 -1.959 -7.455 10.233 1.00 15.00 O ATOM 610 OE2 GLU B 205 -0.388 -8.801 10.940 1.00 15.00 O1- ATOM 0 H GLU B 205 -1.523 -11.760 7.497 1.00 15.00 H new ATOM 0 HA GLU B 205 -2.503 -10.228 9.785 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.684 -9.636 6.932 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.716 -8.503 7.781 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.075 -9.385 8.573 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -0.422 -7.795 8.031 1.00 15.00 H new ATOM 617 N SER B 206 -4.860 -9.848 9.136 1.00 15.00 N ATOM 618 CA SER B 206 -6.261 -9.660 8.811 1.00 15.00 C ATOM 619 C SER B 206 -6.373 -9.001 7.436 1.00 15.00 C ATOM 620 O SER B 206 -5.471 -8.261 7.038 1.00 15.00 O ATOM 621 CB SER B 206 -6.898 -8.777 9.881 1.00 15.00 C ATOM 622 OG SER B 206 -6.554 -9.233 11.179 1.00 15.00 O ATOM 0 H SER B 206 -4.568 -9.388 9.998 1.00 15.00 H new ATOM 0 HA SER B 206 -6.779 -10.619 8.783 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.567 -7.746 9.753 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.982 -8.781 9.764 1.00 15.00 H new ATOM 0 HG SER B 206 -6.970 -8.653 11.850 1.00 15.00 H new ATOM 628 N PRO B 207 -7.487 -9.227 6.718 1.00 15.00 N ATOM 629 CA PRO B 207 -7.661 -8.766 5.334 1.00 15.00 C ATOM 630 C PRO B 207 -7.302 -7.293 5.136 1.00 15.00 C ATOM 631 O PRO B 207 -7.884 -6.407 5.768 1.00 15.00 O ATOM 632 CB PRO B 207 -9.157 -8.994 5.058 1.00 15.00 C ATOM 633 CG PRO B 207 -9.766 -9.294 6.387 1.00 15.00 C ATOM 634 CD PRO B 207 -8.679 -9.935 7.193 1.00 15.00 C ATOM 0 HA PRO B 207 -6.998 -9.303 4.656 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.612 -8.112 4.608 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.306 -9.820 4.362 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.126 -8.384 6.868 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.623 -9.960 6.284 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.833 -9.802 8.264 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -8.615 -11.008 7.011 1.00 15.00 H new ATOM 642 N PRO B 208 -6.315 -7.027 4.264 1.00 15.00 N ATOM 643 CA PRO B 208 -5.872 -5.667 3.942 1.00 15.00 C ATOM 644 C PRO B 208 -6.969 -4.832 3.272 1.00 15.00 C ATOM 645 O PRO B 208 -7.917 -5.374 2.697 1.00 15.00 O ATOM 646 CB PRO B 208 -4.700 -5.885 2.973 1.00 15.00 C ATOM 647 CG PRO B 208 -4.865 -7.267 2.452 1.00 15.00 C ATOM 648 CD PRO B 208 -5.533 -8.047 3.547 1.00 15.00 C ATOM 0 HA PRO B 208 -5.602 -5.111 4.840 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.720 -5.156 2.163 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.743 -5.770 3.482 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.470 -7.272 1.545 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.900 -7.704 2.194 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.171 -8.835 3.147 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.804 -8.527 4.200 1.00 15.00 H new ATOM 656 N PRO B 209 -6.819 -3.498 3.304 1.00 15.00 N ATOM 657 CA PRO B 209 -7.805 -2.555 2.768 1.00 15.00 C ATOM 658 C PRO B 209 -7.840 -2.583 1.237 1.00 15.00 C ATOM 659 O PRO B 209 -6.796 -2.556 0.590 1.00 15.00 O ATOM 660 CB PRO B 209 -7.309 -1.184 3.272 1.00 15.00 C ATOM 661 CG PRO B 209 -6.216 -1.477 4.237 1.00 15.00 C ATOM 662 CD PRO B 209 -5.650 -2.799 3.839 1.00 15.00 C ATOM 0 HA PRO B 209 -8.819 -2.792 3.089 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.947 -0.571 2.446 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -8.115 -0.629 3.751 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.451 -0.701 4.206 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.597 -1.508 5.258 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.863 -2.695 3.092 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.216 -3.326 4.688 1.00 15.00 H new ATOM 670 N PRO B 210 -9.045 -2.638 0.646 1.00 15.00 N ATOM 671 CA PRO B 210 -9.222 -2.700 -0.814 1.00 15.00 C ATOM 672 C PRO B 210 -8.596 -1.503 -1.529 1.00 15.00 C ATOM 673 O PRO B 210 -8.669 -0.373 -1.039 1.00 15.00 O ATOM 674 CB PRO B 210 -10.747 -2.684 -0.991 1.00 15.00 C ATOM 675 CG PRO B 210 -11.295 -3.124 0.321 1.00 15.00 C ATOM 676 CD PRO B 210 -10.331 -2.631 1.360 1.00 15.00 C ATOM 0 HA PRO B 210 -8.736 -3.576 -1.243 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.103 -1.687 -1.253 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.058 -3.354 -1.793 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.290 -2.712 0.486 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.389 -4.209 0.360 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.592 -1.633 1.712 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.311 -3.282 2.234 1.00 15.00 H new ATOM 684 N TYR B 211 -8.015 -1.756 -2.701 1.00 15.00 N ATOM 685 CA TYR B 211 -7.349 -0.713 -3.473 1.00 15.00 C ATOM 686 C TYR B 211 -8.326 0.402 -3.835 1.00 15.00 C ATOM 687 O TYR B 211 -9.219 0.228 -4.664 1.00 15.00 O ATOM 688 CB TYR B 211 -6.689 -1.292 -4.749 1.00 15.00 C ATOM 689 CG TYR B 211 -6.179 -0.237 -5.727 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.682 0.984 -5.273 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.214 -0.447 -7.109 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.250 1.957 -6.156 1.00 15.00 C ATOM 693 CE2 TYR B 211 -5.770 0.531 -7.984 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.303 1.715 -7.506 1.00 15.00 C ATOM 695 OH TYR B 211 -4.895 2.663 -8.403 1.00 15.00 O ATOM 0 H TYR B 211 -7.993 -2.678 -3.136 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.561 -0.292 -2.848 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.856 -1.931 -4.455 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.412 -1.927 -5.262 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.633 1.174 -4.211 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.591 -1.381 -7.498 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -4.874 2.900 -5.786 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.795 0.352 -9.049 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.226 3.243 -7.984 1.00 15.00 H new ATOM 705 N SER B 212 -8.163 1.532 -3.172 1.00 15.00 N ATOM 706 CA SER B 212 -8.874 2.743 -3.523 1.00 15.00 C ATOM 707 C SER B 212 -7.924 3.620 -4.328 1.00 15.00 C ATOM 708 O SER B 212 -6.735 3.682 -4.014 1.00 15.00 O ATOM 709 CB SER B 212 -9.349 3.469 -2.257 1.00 15.00 C ATOM 710 OG SER B 212 -10.216 4.547 -2.576 1.00 15.00 O ATOM 0 H SER B 212 -7.534 1.634 -2.376 1.00 15.00 H new ATOM 0 HA SER B 212 -9.759 2.510 -4.115 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.865 2.766 -1.604 1.00 15.00 H new ATOM 0 HB3 SER B 212 -8.487 3.844 -1.705 1.00 15.00 H new ATOM 0 HG SER B 212 -10.504 4.990 -1.751 1.00 15.00 H new ATOM 716 N ARG B 213 -8.442 4.315 -5.334 1.00 15.00 N ATOM 717 CA ARG B 213 -7.599 5.051 -6.269 1.00 15.00 C ATOM 718 C ARG B 213 -6.765 6.102 -5.549 1.00 15.00 C ATOM 719 O ARG B 213 -5.539 6.031 -5.547 1.00 15.00 O ATOM 720 CB ARG B 213 -8.451 5.710 -7.356 1.00 15.00 C ATOM 721 CG ARG B 213 -9.009 4.735 -8.379 1.00 15.00 C ATOM 722 CD ARG B 213 -10.047 5.405 -9.260 1.00 15.00 C ATOM 723 NE ARG B 213 -11.284 5.668 -8.524 1.00 15.00 N ATOM 724 CZ ARG B 213 -11.763 6.882 -8.257 1.00 15.00 C ATOM 725 NH1 ARG B 213 -11.158 7.964 -8.731 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -12.863 7.009 -7.528 1.00 15.00 N ATOM 0 H ARG B 213 -9.442 4.384 -5.523 1.00 15.00 H new ATOM 0 HA ARG B 213 -6.920 4.338 -6.736 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.279 6.239 -6.884 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -7.849 6.457 -7.872 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -8.199 4.347 -8.996 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.456 3.883 -7.868 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.647 6.342 -9.648 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -10.261 4.770 -10.119 1.00 15.00 H new ATOM 0 HE ARG B 213 -11.817 4.865 -8.192 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -10.320 7.870 -9.304 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -11.531 8.890 -8.522 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -13.339 6.179 -7.174 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -13.233 7.937 -7.321 1.00 15.00 H new ATOM 740 N TYR B 214 -7.413 7.079 -4.939 1.00 15.00 N ATOM 741 CA TYR B 214 -6.680 8.103 -4.213 1.00 15.00 C ATOM 742 C TYR B 214 -7.074 8.132 -2.750 1.00 15.00 C ATOM 743 O TYR B 214 -8.059 8.760 -2.365 1.00 15.00 O ATOM 744 CB TYR B 214 -6.840 9.476 -4.871 1.00 15.00 C ATOM 745 CG TYR B 214 -6.040 9.591 -6.152 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.397 8.860 -7.278 1.00 15.00 C ATOM 747 CD2 TYR B 214 -4.908 10.393 -6.226 1.00 15.00 C ATOM 748 CE1 TYR B 214 -5.654 8.920 -8.437 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.161 10.467 -7.389 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.537 9.725 -8.490 1.00 15.00 C ATOM 751 OH TYR B 214 -3.790 9.784 -9.645 1.00 15.00 O ATOM 0 H TYR B 214 -8.427 7.186 -4.930 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.622 7.845 -4.257 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.894 9.654 -5.085 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.521 10.251 -4.174 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.275 8.232 -7.244 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.606 10.968 -5.363 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.946 8.339 -9.299 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.289 11.102 -7.434 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.037 10.398 -9.517 1.00 15.00 H new ATOM 761 N PRO B 215 -6.318 7.401 -1.925 1.00 15.00 N ATOM 762 CA PRO B 215 -6.535 7.325 -0.495 1.00 15.00 C ATOM 763 C PRO B 215 -5.688 8.344 0.260 1.00 15.00 C ATOM 764 O PRO B 215 -5.687 8.373 1.490 1.00 15.00 O ATOM 765 CB PRO B 215 -6.087 5.891 -0.163 1.00 15.00 C ATOM 766 CG PRO B 215 -5.220 5.444 -1.311 1.00 15.00 C ATOM 767 CD PRO B 215 -5.189 6.557 -2.323 1.00 15.00 C ATOM 0 HA PRO B 215 -7.564 7.543 -0.209 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.534 5.864 0.776 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.947 5.232 -0.045 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.213 5.216 -0.963 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.617 4.532 -1.757 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.247 7.104 -2.292 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.306 6.181 -3.339 1.00 15.00 H new ATOM 775 N MET B 216 -4.991 9.190 -0.492 1.00 15.00 N ATOM 776 CA MET B 216 -4.045 10.138 0.085 1.00 15.00 C ATOM 777 C MET B 216 -4.762 11.235 0.862 1.00 15.00 C ATOM 778 O MET B 216 -5.571 11.984 0.314 1.00 15.00 O ATOM 779 CB MET B 216 -3.157 10.760 -1.003 1.00 15.00 C ATOM 780 CG MET B 216 -3.919 11.493 -2.099 1.00 15.00 C ATOM 781 SD MET B 216 -2.834 12.451 -3.179 1.00 15.00 S ATOM 782 CE MET B 216 -1.720 11.177 -3.768 1.00 15.00 C ATOM 0 H MET B 216 -5.065 9.238 -1.508 1.00 15.00 H new ATOM 0 HA MET B 216 -3.413 9.583 0.779 1.00 15.00 H new ATOM 0 HB2 MET B 216 -2.463 11.456 -0.533 1.00 15.00 H new ATOM 0 HB3 MET B 216 -2.558 9.972 -1.459 1.00 15.00 H new ATOM 0 HG2 MET B 216 -4.474 10.770 -2.697 1.00 15.00 H new ATOM 0 HG3 MET B 216 -4.652 12.159 -1.644 1.00 15.00 H new ATOM 0 HE1 MET B 216 -1.132 11.564 -4.600 1.00 15.00 H new ATOM 0 HE2 MET B 216 -1.052 10.876 -2.961 1.00 15.00 H new ATOM 0 HE3 MET B 216 -2.297 10.315 -4.102 1.00 15.00 H new ATOM 792 N ASP B 217 -4.466 11.302 2.150 1.00 15.00 N ATOM 793 CA ASP B 217 -5.016 12.320 3.028 1.00 15.00 C ATOM 794 C ASP B 217 -4.293 12.264 4.362 1.00 15.00 C ATOM 795 O ASP B 217 -3.394 13.098 4.592 1.00 15.00 O ATOM 796 CB ASP B 217 -6.522 12.121 3.234 1.00 15.00 C ATOM 797 CG ASP B 217 -7.141 13.212 4.086 1.00 15.00 C ATOM 798 OD1 ASP B 217 -7.194 14.369 3.622 1.00 15.00 O ATOM 799 OD2 ASP B 217 -7.594 12.912 5.214 1.00 15.00 O1- ATOM 800 OXT ASP B 217 -4.577 11.336 5.145 1.00 15.00 O ATOM 0 H ASP B 217 -3.836 10.650 2.617 1.00 15.00 H new ATOM 0 HA ASP B 217 -4.872 13.298 2.568 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -7.018 12.097 2.264 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -6.696 11.154 3.705 1.00 15.00 H new TER 805 ASP B 217