USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 366 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 251 HIS : no HD1:sc= -0.503 X(o=-2.5,f=-2) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -1.99! USER MOD Set 2.1: A 250 ASN : amide:sc= 0.694 K(o=0.73,f=-13!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.0368 K(o=0.73,f=-4.1!) USER MOD Set 3.1: A 238 GLN : amide:sc= -2.81! C(o=-5.5!,f=-5.1!) USER MOD Set 3.2: A 240 MET CE :methyl -130:sc= 0 (180deg=0) USER MOD Set 3.3: A 248 TYR OH : rot 165:sc= -2.69! USER MOD Single : A 241 THR OG1 : rot 62:sc= 0.733 USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 247 TYR OH : rot 165:sc= -1.5! USER MOD Single : A 252 LYS NZ :NH3+ -144:sc= -1.12 (180deg=-3.45!) USER MOD Single : A 254 LYS NZ :NH3+ -106:sc= -2.11! (180deg=-4.74!) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot -32:sc= 0.29 USER MOD Single : B 212 SER OG : rot 180:sc=0.000259 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 163:sc= -0.0712 (180deg=-0.474) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.208 -0.067 -6.171 1.00 15.00 N ATOM 2 CA GLY A 230 11.463 -0.807 -5.904 1.00 15.00 C ATOM 3 C GLY A 230 11.498 -1.362 -4.499 1.00 15.00 C ATOM 4 O GLY A 230 10.548 -2.014 -4.067 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.563 -1.623 -6.620 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.315 -0.144 -6.055 1.00 15.00 H new ATOM 10 N PRO A 231 12.590 -1.129 -3.759 1.00 15.00 N ATOM 11 CA PRO A 231 12.709 -1.542 -2.367 1.00 15.00 C ATOM 12 C PRO A 231 12.012 -0.562 -1.428 1.00 15.00 C ATOM 13 O PRO A 231 12.451 0.579 -1.262 1.00 15.00 O ATOM 14 CB PRO A 231 14.224 -1.549 -2.108 1.00 15.00 C ATOM 15 CG PRO A 231 14.870 -1.141 -3.399 1.00 15.00 C ATOM 16 CD PRO A 231 13.809 -0.461 -4.216 1.00 15.00 C ATOM 0 HA PRO A 231 12.240 -2.509 -2.187 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.485 -0.858 -1.306 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.562 -2.538 -1.799 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.708 -0.469 -3.217 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.266 -2.010 -3.925 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.779 0.613 -4.031 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.970 -0.596 -5.286 1.00 15.00 H new ATOM 24 N LEU A 232 10.914 -1.003 -0.836 1.00 15.00 N ATOM 25 CA LEU A 232 10.127 -0.159 0.055 1.00 15.00 C ATOM 26 C LEU A 232 10.780 -0.037 1.418 1.00 15.00 C ATOM 27 O LEU A 232 11.625 -0.853 1.775 1.00 15.00 O ATOM 28 CB LEU A 232 8.677 -0.616 0.254 1.00 15.00 C ATOM 29 CG LEU A 232 7.701 -0.310 -0.877 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.269 1.145 -0.936 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.257 -0.739 -2.214 1.00 15.00 C ATOM 0 H LEU A 232 10.544 -1.946 -0.956 1.00 15.00 H new ATOM 0 HA LEU A 232 10.097 0.806 -0.451 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.679 -1.693 0.419 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.297 -0.155 1.166 1.00 15.00 H new ATOM 0 HG LEU A 232 6.808 -0.894 -0.652 1.00 15.00 H new ATOM 0 HD11 LEU A 232 6.576 1.285 -1.765 1.00 15.00 H new ATOM 0 HD12 LEU A 232 6.777 1.417 -0.002 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.144 1.779 -1.083 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.537 -0.507 -2.999 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.189 -0.208 -2.408 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.447 -1.812 -2.202 1.00 15.00 H new ATOM 43 N PRO A 233 10.394 0.990 2.202 1.00 15.00 N ATOM 44 CA PRO A 233 10.968 1.270 3.535 1.00 15.00 C ATOM 45 C PRO A 233 10.793 0.107 4.523 1.00 15.00 C ATOM 46 O PRO A 233 11.298 0.158 5.646 1.00 15.00 O ATOM 47 CB PRO A 233 10.136 2.482 3.981 1.00 15.00 C ATOM 48 CG PRO A 233 9.804 3.142 2.700 1.00 15.00 C ATOM 49 CD PRO A 233 9.336 1.979 1.891 1.00 15.00 C ATOM 0 HA PRO A 233 12.045 1.433 3.502 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.241 2.180 4.524 1.00 15.00 H new ATOM 0 HB3 PRO A 233 10.702 3.140 4.640 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.030 3.901 2.816 1.00 15.00 H new ATOM 0 HG3 PRO A 233 10.668 3.633 2.253 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.346 1.636 2.192 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.283 2.209 0.827 1.00 15.00 H new ATOM 57 N ASP A 234 9.997 -0.887 4.111 1.00 15.00 N ATOM 58 CA ASP A 234 9.777 -2.127 4.873 1.00 15.00 C ATOM 59 C ASP A 234 8.728 -1.933 5.951 1.00 15.00 C ATOM 60 O ASP A 234 8.505 -2.810 6.787 1.00 15.00 O ATOM 61 CB ASP A 234 11.076 -2.666 5.489 1.00 15.00 C ATOM 62 CG ASP A 234 11.962 -3.378 4.486 1.00 15.00 C ATOM 63 OD1 ASP A 234 12.815 -2.717 3.859 1.00 15.00 O ATOM 64 OD2 ASP A 234 11.825 -4.611 4.338 1.00 15.00 O1- ATOM 0 H ASP A 234 9.482 -0.855 3.231 1.00 15.00 H new ATOM 0 HA ASP A 234 9.413 -2.868 4.162 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.631 -1.839 5.932 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.829 -3.353 6.298 1.00 15.00 H new ATOM 69 N GLY A 235 8.058 -0.798 5.902 1.00 15.00 N ATOM 70 CA GLY A 235 6.919 -0.584 6.763 1.00 15.00 C ATOM 71 C GLY A 235 5.646 -1.060 6.102 1.00 15.00 C ATOM 72 O GLY A 235 4.645 -1.314 6.767 1.00 15.00 O ATOM 0 H GLY A 235 8.282 -0.020 5.282 1.00 15.00 H new ATOM 0 HA2 GLY A 235 7.065 -1.114 7.704 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.834 0.476 7.004 1.00 15.00 H new ATOM 76 N TRP A 236 5.704 -1.221 4.786 1.00 15.00 N ATOM 77 CA TRP A 236 4.526 -1.561 4.005 1.00 15.00 C ATOM 78 C TRP A 236 4.798 -2.533 2.874 1.00 15.00 C ATOM 79 O TRP A 236 5.879 -2.553 2.285 1.00 15.00 O ATOM 80 CB TRP A 236 3.824 -0.312 3.463 1.00 15.00 C ATOM 81 CG TRP A 236 4.694 0.878 3.188 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.011 0.913 2.829 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.269 2.240 3.271 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.418 2.210 2.698 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.372 3.044 2.965 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.056 2.852 3.580 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.304 4.432 2.963 1.00 15.00 C ATOM 88 CZ3 TRP A 236 2.983 4.230 3.576 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.104 5.009 3.273 1.00 15.00 C ATOM 0 H TRP A 236 6.558 -1.121 4.238 1.00 15.00 H new ATOM 0 HA TRP A 236 3.864 -2.069 4.706 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.313 -0.582 2.539 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.056 -0.015 4.177 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.636 0.046 2.672 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.359 2.509 2.440 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.187 2.257 3.819 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.169 5.034 2.725 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.046 4.714 3.810 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.020 6.086 3.284 1.00 15.00 H new ATOM 100 N GLU A 237 3.763 -3.308 2.577 1.00 15.00 N ATOM 101 CA GLU A 237 3.779 -4.318 1.540 1.00 15.00 C ATOM 102 C GLU A 237 2.799 -3.909 0.437 1.00 15.00 C ATOM 103 O GLU A 237 1.740 -3.347 0.728 1.00 15.00 O ATOM 104 CB GLU A 237 3.367 -5.653 2.175 1.00 15.00 C ATOM 105 CG GLU A 237 3.214 -6.804 1.200 1.00 15.00 C ATOM 106 CD GLU A 237 4.520 -7.207 0.544 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.233 -8.062 1.110 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.833 -6.685 -0.547 1.00 15.00 O ATOM 0 H GLU A 237 2.870 -3.246 3.066 1.00 15.00 H new ATOM 0 HA GLU A 237 4.770 -4.420 1.098 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.110 -5.927 2.924 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.422 -5.513 2.700 1.00 15.00 H new ATOM 0 HG2 GLU A 237 2.798 -7.664 1.725 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.498 -6.525 0.427 1.00 15.00 H new ATOM 115 N GLN A 238 3.131 -4.210 -0.813 1.00 15.00 N ATOM 116 CA GLN A 238 2.304 -3.798 -1.944 1.00 15.00 C ATOM 117 C GLN A 238 1.252 -4.873 -2.258 1.00 15.00 C ATOM 118 O GLN A 238 1.594 -6.000 -2.619 1.00 15.00 O ATOM 119 CB GLN A 238 3.190 -3.530 -3.176 1.00 15.00 C ATOM 120 CG GLN A 238 2.445 -3.466 -4.498 1.00 15.00 C ATOM 121 CD GLN A 238 3.383 -3.565 -5.689 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.013 -4.085 -6.742 1.00 15.00 O ATOM 123 NE2 GLN A 238 4.601 -3.063 -5.540 1.00 15.00 N ATOM 0 H GLN A 238 3.966 -4.737 -1.070 1.00 15.00 H new ATOM 0 HA GLN A 238 1.783 -2.877 -1.682 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.718 -2.588 -3.027 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.946 -4.313 -3.239 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.717 -4.276 -4.543 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.887 -2.532 -4.554 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.873 -2.639 -4.653 1.00 15.00 H new ATOM 0 HE22 GLN A 238 5.266 -3.100 -6.313 1.00 15.00 H new ATOM 132 N ALA A 239 -0.029 -4.533 -2.091 1.00 15.00 N ATOM 133 CA ALA A 239 -1.111 -5.457 -2.391 1.00 15.00 C ATOM 134 C ALA A 239 -1.905 -4.958 -3.591 1.00 15.00 C ATOM 135 O ALA A 239 -1.985 -3.756 -3.831 1.00 15.00 O ATOM 136 CB ALA A 239 -2.015 -5.625 -1.178 1.00 15.00 C ATOM 0 H ALA A 239 -0.336 -3.622 -1.749 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.687 -6.431 -2.637 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.820 -6.319 -1.418 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.434 -6.017 -0.343 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.439 -4.659 -0.903 1.00 15.00 H new ATOM 142 N MET A 240 -2.475 -5.878 -4.349 1.00 15.00 N ATOM 143 CA MET A 240 -3.206 -5.523 -5.556 1.00 15.00 C ATOM 144 C MET A 240 -4.710 -5.633 -5.330 1.00 15.00 C ATOM 145 O MET A 240 -5.208 -6.687 -4.934 1.00 15.00 O ATOM 146 CB MET A 240 -2.799 -6.433 -6.726 1.00 15.00 C ATOM 147 CG MET A 240 -1.317 -6.382 -7.083 1.00 15.00 C ATOM 148 SD MET A 240 -0.274 -7.245 -5.889 1.00 15.00 S ATOM 149 CE MET A 240 1.354 -6.923 -6.563 1.00 15.00 C ATOM 0 H MET A 240 -2.447 -6.878 -4.151 1.00 15.00 H new ATOM 0 HA MET A 240 -2.957 -4.491 -5.802 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.065 -7.461 -6.479 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.381 -6.155 -7.605 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.171 -6.822 -8.069 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.000 -5.341 -7.148 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.908 -7.859 -6.638 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.256 -6.478 -7.553 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.890 -6.236 -5.908 1.00 15.00 H new ATOM 159 N THR A 241 -5.429 -4.546 -5.579 1.00 15.00 N ATOM 160 CA THR A 241 -6.880 -4.567 -5.506 1.00 15.00 C ATOM 161 C THR A 241 -7.460 -4.929 -6.869 1.00 15.00 C ATOM 162 O THR A 241 -6.879 -4.592 -7.912 1.00 15.00 O ATOM 163 CB THR A 241 -7.476 -3.218 -5.024 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.906 -3.307 -4.963 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.089 -2.069 -5.945 1.00 15.00 C ATOM 0 H THR A 241 -5.030 -3.642 -5.832 1.00 15.00 H new ATOM 0 HA THR A 241 -7.153 -5.321 -4.767 1.00 15.00 H new ATOM 0 HB THR A 241 -7.069 -3.017 -4.033 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.164 -3.992 -4.311 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.526 -1.142 -5.573 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.003 -1.974 -5.972 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.460 -2.268 -6.950 1.00 15.00 H new ATOM 173 N GLN A 242 -8.620 -5.586 -6.843 1.00 15.00 N ATOM 174 CA GLN A 242 -9.256 -6.131 -8.042 1.00 15.00 C ATOM 175 C GLN A 242 -9.681 -5.025 -9.010 1.00 15.00 C ATOM 176 O GLN A 242 -10.084 -5.295 -10.139 1.00 15.00 O ATOM 177 CB GLN A 242 -10.465 -6.982 -7.643 1.00 15.00 C ATOM 178 CG GLN A 242 -10.976 -7.889 -8.751 1.00 15.00 C ATOM 179 CD GLN A 242 -12.200 -8.683 -8.340 1.00 15.00 C ATOM 180 OE1 GLN A 242 -13.014 -8.226 -7.535 1.00 15.00 O ATOM 181 NE2 GLN A 242 -12.335 -9.884 -8.880 1.00 15.00 N ATOM 0 H GLN A 242 -9.147 -5.756 -5.986 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.526 -6.754 -8.559 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.197 -7.594 -6.781 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.273 -6.322 -7.327 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.216 -7.286 -9.627 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.184 -8.577 -9.046 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -11.639 -10.226 -9.543 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -13.135 -10.467 -8.633 1.00 15.00 H new ATOM 190 N ASP A 243 -9.610 -3.780 -8.561 1.00 15.00 N ATOM 191 CA ASP A 243 -9.905 -2.644 -9.427 1.00 15.00 C ATOM 192 C ASP A 243 -8.773 -2.447 -10.433 1.00 15.00 C ATOM 193 O ASP A 243 -8.933 -1.776 -11.450 1.00 15.00 O ATOM 194 CB ASP A 243 -10.106 -1.372 -8.596 1.00 15.00 C ATOM 195 CG ASP A 243 -10.530 -0.178 -9.431 1.00 15.00 C ATOM 196 OD1 ASP A 243 -11.746 0.009 -9.631 1.00 15.00 O ATOM 197 OD2 ASP A 243 -9.653 0.600 -9.858 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.352 -3.530 -7.606 1.00 15.00 H new ATOM 0 HA ASP A 243 -10.828 -2.849 -9.969 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -10.860 -1.560 -7.832 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.178 -1.134 -8.077 1.00 15.00 H new ATOM 202 N GLY A 244 -7.628 -3.055 -10.147 1.00 15.00 N ATOM 203 CA GLY A 244 -6.479 -2.929 -11.022 1.00 15.00 C ATOM 204 C GLY A 244 -5.489 -1.884 -10.541 1.00 15.00 C ATOM 205 O GLY A 244 -4.933 -1.135 -11.343 1.00 15.00 O ATOM 0 H GLY A 244 -7.475 -3.635 -9.322 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -5.976 -3.893 -11.096 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -6.818 -2.668 -12.025 1.00 15.00 H new ATOM 209 N GLU A 245 -5.269 -1.835 -9.231 1.00 15.00 N ATOM 210 CA GLU A 245 -4.328 -0.879 -8.645 1.00 15.00 C ATOM 211 C GLU A 245 -3.612 -1.507 -7.461 1.00 15.00 C ATOM 212 O GLU A 245 -4.169 -2.357 -6.771 1.00 15.00 O ATOM 213 CB GLU A 245 -5.037 0.397 -8.181 1.00 15.00 C ATOM 214 CG GLU A 245 -5.537 1.285 -9.307 1.00 15.00 C ATOM 215 CD GLU A 245 -6.042 2.618 -8.804 1.00 15.00 C ATOM 216 OE1 GLU A 245 -7.194 2.687 -8.339 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -5.287 3.609 -8.868 1.00 15.00 O ATOM 0 H GLU A 245 -5.728 -2.444 -8.553 1.00 15.00 H new ATOM 0 HA GLU A 245 -3.608 -0.614 -9.419 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -5.882 0.119 -7.552 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.352 0.972 -7.559 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -4.731 1.450 -10.022 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.337 0.774 -9.842 1.00 15.00 H new ATOM 224 N ILE A 246 -2.386 -1.080 -7.216 1.00 15.00 N ATOM 225 CA ILE A 246 -1.626 -1.583 -6.085 1.00 15.00 C ATOM 226 C ILE A 246 -1.574 -0.534 -4.981 1.00 15.00 C ATOM 227 O ILE A 246 -1.549 0.665 -5.253 1.00 15.00 O ATOM 228 CB ILE A 246 -0.195 -1.995 -6.492 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.648 -0.769 -6.865 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.243 -2.988 -7.647 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.947 -1.107 -7.565 1.00 15.00 C ATOM 0 H ILE A 246 -1.896 -0.388 -7.783 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.134 -2.474 -5.716 1.00 15.00 H new ATOM 0 HB ILE A 246 0.279 -2.476 -5.637 1.00 15.00 H new ATOM 0 HG12 ILE A 246 0.058 -0.117 -7.510 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.871 -0.205 -5.960 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.772 -3.271 -7.926 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -0.797 -3.876 -7.341 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -0.739 -2.528 -8.502 1.00 15.00 H new ATOM 0 HD11 ILE A 246 2.486 -0.188 -7.796 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.559 -1.733 -6.915 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.733 -1.644 -8.489 1.00 15.00 H new ATOM 243 N TYR A 247 -1.588 -0.990 -3.742 1.00 15.00 N ATOM 244 CA TYR A 247 -1.561 -0.096 -2.598 1.00 15.00 C ATOM 245 C TYR A 247 -0.650 -0.668 -1.504 1.00 15.00 C ATOM 246 O TYR A 247 -0.644 -1.879 -1.266 1.00 15.00 O ATOM 247 CB TYR A 247 -2.984 0.124 -2.050 1.00 15.00 C ATOM 248 CG TYR A 247 -3.713 -1.150 -1.680 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.247 -1.978 -2.658 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.859 -1.529 -0.351 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.901 -3.145 -2.327 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.513 -2.702 -0.010 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.031 -3.503 -1.005 1.00 15.00 C ATOM 254 OH TYR A 247 -5.677 -4.670 -0.677 1.00 15.00 O ATOM 0 H TYR A 247 -1.618 -1.981 -3.501 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.164 0.867 -2.918 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -2.927 0.765 -1.170 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.570 0.660 -2.797 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.148 -1.702 -3.698 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.456 -0.899 0.428 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.310 -3.776 -3.102 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.616 -2.986 1.027 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.480 -4.902 0.255 1.00 15.00 H new ATOM 264 N TYR A 248 0.105 0.197 -0.837 1.00 15.00 N ATOM 265 CA TYR A 248 0.997 -0.218 0.226 1.00 15.00 C ATOM 266 C TYR A 248 0.302 -0.154 1.574 1.00 15.00 C ATOM 267 O TYR A 248 -0.089 0.922 2.035 1.00 15.00 O ATOM 268 CB TYR A 248 2.253 0.656 0.248 1.00 15.00 C ATOM 269 CG TYR A 248 3.225 0.297 -0.841 1.00 15.00 C ATOM 270 CD1 TYR A 248 4.041 -0.812 -0.710 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.310 1.041 -2.011 1.00 15.00 C ATOM 272 CE1 TYR A 248 4.911 -1.174 -1.712 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.174 0.675 -3.020 1.00 15.00 C ATOM 274 CZ TYR A 248 4.966 -0.432 -2.870 1.00 15.00 C ATOM 275 OH TYR A 248 5.810 -0.807 -3.890 1.00 15.00 O ATOM 0 H TYR A 248 0.113 1.200 -1.021 1.00 15.00 H new ATOM 0 HA TYR A 248 1.287 -1.251 0.033 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.965 1.702 0.143 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.744 0.556 1.216 1.00 15.00 H new ATOM 0 HD1 TYR A 248 3.994 -1.403 0.193 1.00 15.00 H new ATOM 0 HD2 TYR A 248 2.691 1.918 -2.131 1.00 15.00 H new ATOM 0 HE1 TYR A 248 5.549 -2.037 -1.591 1.00 15.00 H new ATOM 0 HE2 TYR A 248 4.226 1.260 -3.927 1.00 15.00 H new ATOM 0 HH TYR A 248 5.560 -0.335 -4.712 1.00 15.00 H new ATOM 285 N ILE A 249 0.131 -1.312 2.188 1.00 15.00 N ATOM 286 CA ILE A 249 -0.416 -1.390 3.526 1.00 15.00 C ATOM 287 C ILE A 249 0.711 -1.357 4.547 1.00 15.00 C ATOM 288 O ILE A 249 1.509 -2.292 4.637 1.00 15.00 O ATOM 289 CB ILE A 249 -1.270 -2.665 3.718 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.584 -3.880 3.077 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.660 -2.462 3.141 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.394 -5.159 3.152 1.00 15.00 C ATOM 0 H ILE A 249 0.366 -2.215 1.776 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.068 -0.529 3.674 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.367 -2.858 4.786 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.375 -3.656 2.031 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.376 -4.042 3.566 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.249 -3.368 3.284 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.147 -1.629 3.649 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.583 -2.243 2.076 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.840 -5.969 2.677 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.581 -5.410 4.196 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.344 -5.019 2.637 1.00 15.00 H new ATOM 304 N ASN A 250 0.775 -0.280 5.317 1.00 15.00 N ATOM 305 CA ASN A 250 1.841 -0.111 6.292 1.00 15.00 C ATOM 306 C ASN A 250 1.398 -0.728 7.619 1.00 15.00 C ATOM 307 O ASN A 250 0.623 -0.106 8.351 1.00 15.00 O ATOM 308 CB ASN A 250 2.165 1.377 6.486 1.00 15.00 C ATOM 309 CG ASN A 250 3.358 1.629 7.397 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.649 0.855 8.306 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.052 2.733 7.164 1.00 15.00 N ATOM 0 H ASN A 250 0.103 0.487 5.285 1.00 15.00 H new ATOM 0 HA ASN A 250 2.741 -0.610 5.933 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.361 1.827 5.513 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.291 1.879 6.900 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.856 2.963 7.748 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.782 3.353 6.401 1.00 15.00 H new ATOM 318 N HIS A 251 1.845 -1.967 7.910 1.00 15.00 N ATOM 319 CA HIS A 251 1.406 -2.691 9.095 1.00 15.00 C ATOM 320 C HIS A 251 2.037 -2.129 10.361 1.00 15.00 C ATOM 321 O HIS A 251 1.653 -2.492 11.473 1.00 15.00 O ATOM 322 CB HIS A 251 1.749 -4.182 8.968 1.00 15.00 C ATOM 323 CG HIS A 251 1.000 -4.903 7.884 1.00 15.00 C ATOM 324 ND1 HIS A 251 1.529 -5.166 6.635 1.00 15.00 N ATOM 325 CD2 HIS A 251 -0.240 -5.444 7.881 1.00 15.00 C ATOM 326 CE1 HIS A 251 0.647 -5.833 5.919 1.00 15.00 C ATOM 327 NE2 HIS A 251 -0.435 -6.016 6.649 1.00 15.00 N ATOM 0 H HIS A 251 2.511 -2.478 7.331 1.00 15.00 H new ATOM 0 HA HIS A 251 0.325 -2.570 9.169 1.00 15.00 H new ATOM 0 HB2 HIS A 251 2.818 -4.281 8.781 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.545 -4.671 9.920 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -0.946 -5.429 8.698 1.00 15.00 H new ATOM 0 HE1 HIS A 251 0.787 -6.173 4.904 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -1.279 -6.503 6.348 1.00 15.00 H new ATOM 336 N LYS A 252 3.017 -1.258 10.193 1.00 15.00 N ATOM 337 CA LYS A 252 3.705 -0.668 11.329 1.00 15.00 C ATOM 338 C LYS A 252 3.019 0.621 11.770 1.00 15.00 C ATOM 339 O LYS A 252 2.768 0.823 12.959 1.00 15.00 O ATOM 340 CB LYS A 252 5.174 -0.404 10.986 1.00 15.00 C ATOM 341 CG LYS A 252 5.955 -1.672 10.667 1.00 15.00 C ATOM 342 CD LYS A 252 7.381 -1.385 10.210 1.00 15.00 C ATOM 343 CE LYS A 252 8.300 -0.972 11.356 1.00 15.00 C ATOM 344 NZ LYS A 252 8.023 0.406 11.843 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.354 -0.944 9.283 1.00 15.00 H new ATOM 0 HA LYS A 252 3.663 -1.375 12.158 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.225 0.271 10.131 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.650 0.106 11.824 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.982 -2.309 11.551 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.433 -2.229 9.889 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.788 -2.273 9.727 1.00 15.00 H new ATOM 0 HD3 LYS A 252 7.365 -0.594 9.461 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.184 -1.675 12.181 1.00 15.00 H new ATOM 0 HE3 LYS A 252 9.337 -1.035 11.026 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.916 0.865 12.114 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 7.567 0.956 11.087 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.392 0.362 12.669 1.00 15.00 H new ATOM 358 N ASN A 253 2.711 1.489 10.816 1.00 15.00 N ATOM 359 CA ASN A 253 2.112 2.783 11.131 1.00 15.00 C ATOM 360 C ASN A 253 0.613 2.798 10.852 1.00 15.00 C ATOM 361 O ASN A 253 -0.054 3.799 11.110 1.00 15.00 O ATOM 362 CB ASN A 253 2.789 3.903 10.336 1.00 15.00 C ATOM 363 CG ASN A 253 4.266 4.039 10.649 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.114 3.462 9.969 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.582 4.788 11.693 1.00 15.00 N ATOM 0 H ASN A 253 2.864 1.324 9.821 1.00 15.00 H new ATOM 0 HA ASN A 253 2.264 2.951 12.197 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.665 3.711 9.270 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.289 4.847 10.550 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.559 4.904 11.960 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.848 5.249 12.230 1.00 15.00 H new ATOM 372 N LYS A 254 0.092 1.693 10.312 1.00 15.00 N ATOM 373 CA LYS A 254 -1.341 1.559 10.022 1.00 15.00 C ATOM 374 C LYS A 254 -1.746 2.541 8.915 1.00 15.00 C ATOM 375 O LYS A 254 -2.903 2.953 8.813 1.00 15.00 O ATOM 376 CB LYS A 254 -2.154 1.803 11.305 1.00 15.00 C ATOM 377 CG LYS A 254 -3.577 1.265 11.273 1.00 15.00 C ATOM 378 CD LYS A 254 -4.343 1.562 12.560 1.00 15.00 C ATOM 379 CE LYS A 254 -3.776 0.829 13.774 1.00 15.00 C ATOM 380 NZ LYS A 254 -2.487 1.405 14.246 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.644 0.872 10.065 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.549 0.549 9.670 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.627 1.347 12.144 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.191 2.875 11.496 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -4.109 1.703 10.428 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.551 0.188 11.110 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.323 2.635 12.749 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.388 1.281 12.428 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -4.503 0.864 14.586 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -3.629 -0.221 13.522 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -1.706 0.771 13.981 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -2.341 2.336 13.807 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -2.512 1.510 15.280 1.00 15.00 H new ATOM 394 N THR A 255 -0.796 2.847 8.042 1.00 15.00 N ATOM 395 CA THR A 255 -0.972 3.902 7.043 1.00 15.00 C ATOM 396 C THR A 255 -1.004 3.343 5.615 1.00 15.00 C ATOM 397 O THR A 255 -0.429 2.291 5.342 1.00 15.00 O ATOM 398 CB THR A 255 0.131 4.974 7.163 1.00 15.00 C ATOM 399 OG1 THR A 255 1.411 4.354 7.341 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.149 5.912 8.329 1.00 15.00 C ATOM 0 H THR A 255 0.110 2.379 8.002 1.00 15.00 H new ATOM 0 HA THR A 255 -1.938 4.365 7.245 1.00 15.00 H new ATOM 0 HB THR A 255 0.138 5.555 6.241 1.00 15.00 H new ATOM 0 HG1 THR A 255 2.102 5.045 7.414 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.642 6.659 8.393 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.106 6.410 8.174 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.184 5.340 9.256 1.00 15.00 H new ATOM 408 N THR A 256 -1.724 4.013 4.716 1.00 15.00 N ATOM 409 CA THR A 256 -1.832 3.556 3.337 1.00 15.00 C ATOM 410 C THR A 256 -1.237 4.576 2.362 1.00 15.00 C ATOM 411 O THR A 256 -1.353 5.785 2.566 1.00 15.00 O ATOM 412 CB THR A 256 -3.302 3.302 2.961 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.046 2.970 4.142 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.407 2.160 1.960 1.00 15.00 C ATOM 0 H THR A 256 -2.238 4.870 4.919 1.00 15.00 H new ATOM 0 HA THR A 256 -1.269 2.626 3.262 1.00 15.00 H new ATOM 0 HB THR A 256 -3.709 4.206 2.507 1.00 15.00 H new ATOM 0 HG1 THR A 256 -4.983 2.810 3.904 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.454 1.994 1.705 1.00 15.00 H new ATOM 0 HG22 THR A 256 -2.850 2.414 1.058 1.00 15.00 H new ATOM 0 HG23 THR A 256 -2.992 1.252 2.399 1.00 15.00 H new ATOM 422 N SER A 257 -0.594 4.074 1.315 1.00 15.00 N ATOM 423 CA SER A 257 -0.041 4.909 0.252 1.00 15.00 C ATOM 424 C SER A 257 -0.091 4.133 -1.057 1.00 15.00 C ATOM 425 O SER A 257 0.228 2.959 -1.072 1.00 15.00 O ATOM 426 CB SER A 257 1.405 5.299 0.581 1.00 15.00 C ATOM 427 OG SER A 257 1.975 6.097 -0.445 1.00 15.00 O ATOM 0 H SER A 257 -0.440 3.075 1.177 1.00 15.00 H new ATOM 0 HA SER A 257 -0.628 5.823 0.161 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.430 5.845 1.524 1.00 15.00 H new ATOM 0 HB3 SER A 257 2.004 4.398 0.718 1.00 15.00 H new ATOM 0 HG SER A 257 2.896 6.330 -0.204 1.00 15.00 H new ATOM 433 N TRP A 258 -0.472 4.788 -2.149 1.00 15.00 N ATOM 434 CA TRP A 258 -0.635 4.104 -3.433 1.00 15.00 C ATOM 435 C TRP A 258 0.668 3.453 -3.909 1.00 15.00 C ATOM 436 O TRP A 258 0.806 2.230 -3.902 1.00 15.00 O ATOM 437 CB TRP A 258 -1.127 5.082 -4.506 1.00 15.00 C ATOM 438 CG TRP A 258 -2.606 5.321 -4.504 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.248 6.509 -4.304 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.629 4.345 -4.734 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.607 6.333 -4.404 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.865 5.013 -4.667 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.619 2.973 -4.993 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.077 4.354 -4.853 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -4.823 2.320 -5.175 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.037 3.011 -5.107 1.00 15.00 C ATOM 0 H TRP A 258 -0.674 5.788 -2.174 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.375 3.318 -3.279 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.618 6.036 -4.369 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.835 4.703 -5.485 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.759 7.450 -4.097 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.309 7.065 -4.300 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.686 2.432 -5.050 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.016 4.885 -4.799 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -4.827 1.258 -5.373 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -6.961 2.473 -5.258 1.00 15.00 H new ATOM 457 N LEU A 259 1.625 4.282 -4.290 1.00 15.00 N ATOM 458 CA LEU A 259 2.840 3.813 -4.943 1.00 15.00 C ATOM 459 C LEU A 259 4.086 4.089 -4.126 1.00 15.00 C ATOM 460 O LEU A 259 4.082 4.927 -3.222 1.00 15.00 O ATOM 461 CB LEU A 259 2.978 4.384 -6.351 1.00 15.00 C ATOM 462 CG LEU A 259 2.395 3.485 -7.442 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.661 4.074 -8.818 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.976 2.076 -7.333 1.00 15.00 C ATOM 0 H LEU A 259 1.585 5.293 -4.158 1.00 15.00 H new ATOM 0 HA LEU A 259 2.743 2.730 -5.022 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.483 5.354 -6.390 1.00 15.00 H new ATOM 0 HB3 LEU A 259 4.034 4.557 -6.561 1.00 15.00 H new ATOM 0 HG LEU A 259 1.316 3.424 -7.303 1.00 15.00 H new ATOM 0 HD11 LEU A 259 2.239 3.420 -9.581 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.199 5.059 -8.888 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.736 4.166 -8.973 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.553 1.446 -8.115 1.00 15.00 H new ATOM 0 HD22 LEU A 259 4.059 2.119 -7.448 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.731 1.656 -6.357 1.00 15.00 H new ATOM 476 N ASP A 260 5.145 3.353 -4.462 1.00 15.00 N ATOM 477 CA ASP A 260 6.390 3.341 -3.703 1.00 15.00 C ATOM 478 C ASP A 260 7.005 4.735 -3.630 1.00 15.00 C ATOM 479 O ASP A 260 7.460 5.294 -4.629 1.00 15.00 O ATOM 480 CB ASP A 260 7.371 2.361 -4.368 1.00 15.00 C ATOM 481 CG ASP A 260 8.762 2.360 -3.751 1.00 15.00 C ATOM 482 OD1 ASP A 260 8.948 2.953 -2.671 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.672 1.750 -4.353 1.00 15.00 O ATOM 0 H ASP A 260 5.160 2.742 -5.279 1.00 15.00 H new ATOM 0 HA ASP A 260 6.179 3.020 -2.683 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.958 1.354 -4.309 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.455 2.609 -5.426 1.00 15.00 H new ATOM 488 N PRO A 261 7.006 5.300 -2.416 1.00 15.00 N ATOM 489 CA PRO A 261 7.511 6.640 -2.149 1.00 15.00 C ATOM 490 C PRO A 261 9.026 6.674 -2.052 1.00 15.00 C ATOM 491 O PRO A 261 9.635 7.741 -1.974 1.00 15.00 O ATOM 492 CB PRO A 261 6.875 6.984 -0.807 1.00 15.00 C ATOM 493 CG PRO A 261 6.722 5.676 -0.112 1.00 15.00 C ATOM 494 CD PRO A 261 6.503 4.650 -1.191 1.00 15.00 C ATOM 0 HA PRO A 261 7.266 7.343 -2.945 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.504 7.665 -0.234 1.00 15.00 H new ATOM 0 HB3 PRO A 261 5.912 7.476 -0.940 1.00 15.00 H new ATOM 0 HG2 PRO A 261 7.610 5.441 0.474 1.00 15.00 H new ATOM 0 HG3 PRO A 261 5.880 5.699 0.580 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.044 3.728 -0.979 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.449 4.388 -1.283 1.00 15.00 H new ATOM 502 N ARG A 262 9.630 5.497 -2.018 1.00 15.00 N ATOM 503 CA ARG A 262 11.068 5.391 -1.939 1.00 15.00 C ATOM 504 C ARG A 262 11.660 5.601 -3.335 1.00 15.00 C ATOM 505 O ARG A 262 12.844 5.877 -3.488 1.00 15.00 O ATOM 506 CB ARG A 262 11.465 4.027 -1.341 1.00 15.00 C ATOM 507 CG ARG A 262 12.692 4.067 -0.430 1.00 15.00 C ATOM 508 CD ARG A 262 13.942 4.591 -1.127 1.00 15.00 C ATOM 509 NE ARG A 262 14.747 3.528 -1.732 1.00 15.00 N ATOM 510 CZ ARG A 262 15.427 3.667 -2.876 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.258 4.747 -3.629 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.253 2.713 -3.278 1.00 15.00 N ATOM 0 H ARG A 262 9.140 4.603 -2.044 1.00 15.00 H new ATOM 0 HA ARG A 262 11.469 6.160 -1.279 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.621 3.633 -0.775 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.656 3.329 -2.156 1.00 15.00 H new ATOM 0 HG2 ARG A 262 12.475 4.696 0.433 1.00 15.00 H new ATOM 0 HG3 ARG A 262 12.888 3.064 -0.052 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.650 5.302 -1.899 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.552 5.136 -0.406 1.00 15.00 H new ATOM 0 HE ARG A 262 14.792 2.629 -1.253 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.607 5.476 -3.336 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.779 4.848 -4.500 1.00 15.00 H new ATOM 0 HH21 ARG A 262 16.372 1.871 -2.715 1.00 15.00 H new ATOM 0 HH22 ARG A 262 16.771 2.821 -4.150 1.00 15.00 H new ATOM 526 N LEU A 263 10.816 5.483 -4.354 1.00 15.00 N ATOM 527 CA LEU A 263 11.238 5.746 -5.726 1.00 15.00 C ATOM 528 C LEU A 263 11.257 7.242 -6.029 1.00 15.00 C ATOM 529 O LEU A 263 11.775 7.663 -7.065 1.00 15.00 O ATOM 530 CB LEU A 263 10.325 5.035 -6.728 1.00 15.00 C ATOM 531 CG LEU A 263 10.425 3.512 -6.739 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.475 2.926 -7.771 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.856 3.071 -7.017 1.00 15.00 C ATOM 0 H LEU A 263 9.839 5.208 -4.257 1.00 15.00 H new ATOM 0 HA LEU A 263 12.251 5.357 -5.827 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.293 5.313 -6.514 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.554 5.404 -7.728 1.00 15.00 H new ATOM 0 HG LEU A 263 10.138 3.140 -5.755 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.558 1.839 -7.766 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.452 3.213 -7.528 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.733 3.306 -8.760 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.907 1.982 -7.021 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.172 3.452 -7.988 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.514 3.462 -6.242 1.00 15.00 H new ATOM 545 N ASP A 264 10.655 8.038 -5.148 1.00 15.00 N ATOM 546 CA ASP A 264 10.612 9.489 -5.340 1.00 15.00 C ATOM 547 C ASP A 264 12.012 10.127 -5.357 1.00 15.00 C ATOM 548 O ASP A 264 12.305 10.932 -6.244 1.00 15.00 O ATOM 549 CB ASP A 264 9.723 10.169 -4.293 1.00 15.00 C ATOM 550 CG ASP A 264 9.627 11.666 -4.508 1.00 15.00 C ATOM 551 OD1 ASP A 264 8.913 12.095 -5.439 1.00 15.00 O ATOM 552 OD2 ASP A 264 10.258 12.427 -3.747 1.00 15.00 O1- ATOM 0 H ASP A 264 10.193 7.708 -4.300 1.00 15.00 H new ATOM 0 HA ASP A 264 10.172 9.651 -6.324 1.00 15.00 H new ATOM 0 HB2 ASP A 264 8.724 9.734 -4.329 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.121 9.971 -3.298 1.00 15.00 H new ATOM 557 N PRO A 265 12.878 9.834 -4.364 1.00 15.00 N ATOM 558 CA PRO A 265 14.285 10.242 -4.401 1.00 15.00 C ATOM 559 C PRO A 265 15.013 9.660 -5.611 1.00 15.00 C ATOM 560 O PRO A 265 15.279 10.421 -6.561 1.00 15.00 O ATOM 561 CB PRO A 265 14.875 9.689 -3.096 1.00 15.00 C ATOM 562 CG PRO A 265 13.893 8.676 -2.619 1.00 15.00 C ATOM 563 CD PRO A 265 12.554 9.134 -3.116 1.00 15.00 C ATOM 564 OXT PRO A 265 15.295 8.440 -5.620 1.00 15.00 O ATOM 0 HA PRO A 265 14.390 11.323 -4.489 1.00 15.00 H new ATOM 0 HB2 PRO A 265 15.853 9.239 -3.266 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.012 10.481 -2.360 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.135 7.686 -3.005 1.00 15.00 H new ATOM 0 HG3 PRO A 265 13.902 8.605 -1.531 1.00 15.00 H new ATOM 0 HD2 PRO A 265 11.881 8.295 -3.289 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.064 9.794 -2.400 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -8.379 10.094 -5.645 1.00 15.00 N ATOM 574 CA SER B 206 -8.663 8.814 -4.970 1.00 15.00 C ATOM 575 C SER B 206 -7.689 8.561 -3.820 1.00 15.00 C ATOM 576 O SER B 206 -6.475 8.497 -4.020 1.00 15.00 O ATOM 577 CB SER B 206 -8.576 7.681 -5.990 1.00 15.00 C ATOM 578 OG SER B 206 -7.402 7.805 -6.780 1.00 15.00 O ATOM 0 HA SER B 206 -9.667 8.859 -4.548 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.574 6.721 -5.475 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.456 7.696 -6.633 1.00 15.00 H new ATOM 0 HG SER B 206 -7.178 8.753 -6.887 1.00 15.00 H new ATOM 586 N PRO B 207 -8.212 8.428 -2.594 1.00 15.00 N ATOM 587 CA PRO B 207 -7.420 8.036 -1.431 1.00 15.00 C ATOM 588 C PRO B 207 -7.191 6.528 -1.424 1.00 15.00 C ATOM 589 O PRO B 207 -8.053 5.771 -1.875 1.00 15.00 O ATOM 590 CB PRO B 207 -8.297 8.449 -0.234 1.00 15.00 C ATOM 591 CG PRO B 207 -9.512 9.110 -0.809 1.00 15.00 C ATOM 592 CD PRO B 207 -9.613 8.653 -2.235 1.00 15.00 C ATOM 0 HA PRO B 207 -6.434 8.500 -1.416 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -8.573 7.580 0.363 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -7.759 9.131 0.425 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.405 8.833 -0.249 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -9.425 10.195 -0.755 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.207 7.744 -2.329 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.079 9.406 -2.871 1.00 15.00 H new ATOM 600 N PRO B 208 -6.047 6.059 -0.904 1.00 15.00 N ATOM 601 CA PRO B 208 -5.747 4.633 -0.861 1.00 15.00 C ATOM 602 C PRO B 208 -6.682 3.910 0.103 1.00 15.00 C ATOM 603 O PRO B 208 -6.882 4.361 1.234 1.00 15.00 O ATOM 604 CB PRO B 208 -4.294 4.567 -0.367 1.00 15.00 C ATOM 605 CG PRO B 208 -3.779 5.965 -0.458 1.00 15.00 C ATOM 606 CD PRO B 208 -4.976 6.854 -0.291 1.00 15.00 C ATOM 0 HA PRO B 208 -5.880 4.150 -1.829 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.244 4.196 0.657 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.701 3.889 -0.981 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.037 6.159 0.316 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.292 6.141 -1.417 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.179 7.069 0.758 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.843 7.812 -0.793 1.00 15.00 H new ATOM 614 N PRO B 209 -7.266 2.788 -0.349 1.00 15.00 N ATOM 615 CA PRO B 209 -8.214 1.991 0.438 1.00 15.00 C ATOM 616 C PRO B 209 -7.699 1.695 1.841 1.00 15.00 C ATOM 617 O PRO B 209 -6.500 1.488 2.034 1.00 15.00 O ATOM 618 CB PRO B 209 -8.349 0.688 -0.365 1.00 15.00 C ATOM 619 CG PRO B 209 -7.290 0.748 -1.417 1.00 15.00 C ATOM 620 CD PRO B 209 -7.052 2.203 -1.671 1.00 15.00 C ATOM 0 HA PRO B 209 -9.158 2.517 0.583 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.214 -0.183 0.277 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.340 0.604 -0.812 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.377 0.255 -1.082 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.612 0.240 -2.326 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.044 2.392 -2.041 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.744 2.605 -2.411 1.00 15.00 H new ATOM 628 N PRO B 210 -8.610 1.652 2.828 1.00 15.00 N ATOM 629 CA PRO B 210 -8.255 1.445 4.234 1.00 15.00 C ATOM 630 C PRO B 210 -7.316 0.263 4.434 1.00 15.00 C ATOM 631 O PRO B 210 -7.599 -0.855 4.004 1.00 15.00 O ATOM 632 CB PRO B 210 -9.603 1.167 4.901 1.00 15.00 C ATOM 633 CG PRO B 210 -10.598 1.874 4.050 1.00 15.00 C ATOM 634 CD PRO B 210 -10.066 1.804 2.643 1.00 15.00 C ATOM 0 HA PRO B 210 -7.723 2.302 4.646 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.809 0.098 4.946 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.622 1.539 5.925 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.578 1.401 4.121 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.720 2.909 4.370 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.490 0.962 2.096 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.306 2.705 2.079 1.00 15.00 H new ATOM 642 N TYR B 211 -6.202 0.532 5.106 1.00 15.00 N ATOM 643 CA TYR B 211 -5.175 -0.473 5.375 1.00 15.00 C ATOM 644 C TYR B 211 -5.727 -1.652 6.188 1.00 15.00 C ATOM 645 O TYR B 211 -5.103 -2.712 6.272 1.00 15.00 O ATOM 646 CB TYR B 211 -3.994 0.204 6.100 1.00 15.00 C ATOM 647 CG TYR B 211 -3.295 -0.667 7.120 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.363 -1.622 6.739 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.588 -0.540 8.468 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.749 -2.428 7.675 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.973 -1.335 9.411 1.00 15.00 C ATOM 652 CZ TYR B 211 -2.055 -2.279 9.012 1.00 15.00 C ATOM 653 OH TYR B 211 -1.455 -3.087 9.947 1.00 15.00 O ATOM 0 H TYR B 211 -5.983 1.455 5.481 1.00 15.00 H new ATOM 0 HA TYR B 211 -4.831 -0.889 4.428 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.265 0.525 5.356 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.358 1.102 6.598 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.115 -1.736 5.694 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.312 0.196 8.786 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.032 -3.173 7.363 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -3.210 -1.218 10.458 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.780 -2.851 10.841 1.00 15.00 H new ATOM 663 N SER B 212 -6.904 -1.467 6.768 1.00 15.00 N ATOM 664 CA SER B 212 -7.501 -2.471 7.629 1.00 15.00 C ATOM 665 C SER B 212 -7.722 -3.786 6.883 1.00 15.00 C ATOM 666 O SER B 212 -7.343 -4.851 7.372 1.00 15.00 O ATOM 667 CB SER B 212 -8.826 -1.948 8.178 1.00 15.00 C ATOM 668 OG SER B 212 -8.680 -0.623 8.660 1.00 15.00 O ATOM 0 H SER B 212 -7.466 -0.623 6.655 1.00 15.00 H new ATOM 0 HA SER B 212 -6.815 -2.669 8.453 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.585 -1.974 7.396 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.174 -2.597 8.982 1.00 15.00 H new ATOM 0 HG SER B 212 -9.540 -0.304 9.006 1.00 15.00 H new ATOM 674 N ARG B 213 -8.323 -3.714 5.701 1.00 15.00 N ATOM 675 CA ARG B 213 -8.638 -4.912 4.939 1.00 15.00 C ATOM 676 C ARG B 213 -8.618 -4.624 3.441 1.00 15.00 C ATOM 677 O ARG B 213 -8.656 -3.469 3.026 1.00 15.00 O ATOM 678 CB ARG B 213 -9.977 -5.514 5.363 1.00 15.00 C ATOM 679 CG ARG B 213 -10.085 -6.995 5.023 1.00 15.00 C ATOM 680 CD ARG B 213 -9.324 -7.888 6.007 1.00 15.00 C ATOM 681 NE ARG B 213 -8.051 -7.320 6.456 1.00 15.00 N ATOM 682 CZ ARG B 213 -7.072 -8.038 7.008 1.00 15.00 C ATOM 683 NH1 ARG B 213 -7.243 -9.332 7.237 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -5.935 -7.449 7.361 1.00 15.00 N ATOM 0 H ARG B 213 -8.600 -2.841 5.252 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.866 -5.651 5.155 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.108 -5.381 6.437 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.786 -4.972 4.874 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.136 -7.285 5.014 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.700 -7.161 4.017 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.955 -8.075 6.876 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.135 -8.853 5.537 1.00 15.00 H new ATOM 0 HE ARG B 213 -7.905 -6.317 6.340 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.125 -9.781 6.991 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.493 -9.879 7.659 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -5.811 -6.448 7.210 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -5.186 -7.998 7.783 1.00 15.00 H new ATOM 698 N TYR B 214 -8.594 -5.681 2.636 1.00 15.00 N ATOM 699 CA TYR B 214 -8.295 -5.559 1.216 1.00 15.00 C ATOM 700 C TYR B 214 -9.579 -5.322 0.430 1.00 15.00 C ATOM 701 O TYR B 214 -10.519 -6.120 0.501 1.00 15.00 O ATOM 702 CB TYR B 214 -7.624 -6.841 0.682 1.00 15.00 C ATOM 703 CG TYR B 214 -6.515 -7.418 1.551 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.037 -6.750 2.671 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.959 -8.657 1.249 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.048 -7.289 3.461 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.963 -9.205 2.035 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.512 -8.517 3.140 1.00 15.00 C ATOM 709 OH TYR B 214 -3.524 -9.061 3.929 1.00 15.00 O ATOM 0 H TYR B 214 -8.779 -6.635 2.946 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.615 -4.716 1.090 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.392 -7.603 0.552 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.214 -6.630 -0.305 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.451 -5.786 2.927 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.312 -9.200 0.385 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.694 -6.752 4.329 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.541 -10.167 1.784 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.256 -9.931 3.565 1.00 15.00 H new ATOM 719 N PRO B 215 -9.627 -4.214 -0.323 1.00 15.00 N ATOM 720 CA PRO B 215 -10.803 -3.830 -1.104 1.00 15.00 C ATOM 721 C PRO B 215 -11.114 -4.809 -2.231 1.00 15.00 C ATOM 722 O PRO B 215 -10.351 -4.941 -3.195 1.00 15.00 O ATOM 723 CB PRO B 215 -10.430 -2.460 -1.677 1.00 15.00 C ATOM 724 CG PRO B 215 -8.942 -2.442 -1.667 1.00 15.00 C ATOM 725 CD PRO B 215 -8.535 -3.237 -0.462 1.00 15.00 C ATOM 0 HA PRO B 215 -11.701 -3.820 -0.487 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.821 -2.332 -2.686 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -10.840 -1.652 -1.072 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.539 -2.881 -2.580 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.563 -1.422 -1.609 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.572 -3.727 -0.608 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.442 -2.608 0.423 1.00 15.00 H new ATOM 733 N MET B 216 -12.220 -5.514 -2.075 1.00 15.00 N ATOM 734 CA MET B 216 -12.723 -6.415 -3.103 1.00 15.00 C ATOM 735 C MET B 216 -14.245 -6.488 -3.009 1.00 15.00 C ATOM 736 O MET B 216 -14.926 -6.958 -3.923 1.00 15.00 O ATOM 737 CB MET B 216 -12.099 -7.808 -2.958 1.00 15.00 C ATOM 738 CG MET B 216 -12.444 -8.762 -4.092 1.00 15.00 C ATOM 739 SD MET B 216 -11.569 -10.335 -3.969 1.00 15.00 S ATOM 740 CE MET B 216 -12.183 -10.945 -2.400 1.00 15.00 C ATOM 0 H MET B 216 -12.796 -5.480 -1.234 1.00 15.00 H new ATOM 0 HA MET B 216 -12.445 -6.030 -4.084 1.00 15.00 H new ATOM 0 HB2 MET B 216 -11.015 -7.705 -2.900 1.00 15.00 H new ATOM 0 HB3 MET B 216 -12.428 -8.246 -2.016 1.00 15.00 H new ATOM 0 HG2 MET B 216 -13.518 -8.947 -4.091 1.00 15.00 H new ATOM 0 HG3 MET B 216 -12.203 -8.290 -5.044 1.00 15.00 H new ATOM 0 HE1 MET B 216 -11.983 -12.014 -2.322 1.00 15.00 H new ATOM 0 HE2 MET B 216 -11.682 -10.422 -1.585 1.00 15.00 H new ATOM 0 HE3 MET B 216 -13.257 -10.771 -2.337 1.00 15.00 H new ATOM 750 N ASP B 217 -14.763 -6.018 -1.885 1.00 15.00 N ATOM 751 CA ASP B 217 -16.194 -5.940 -1.658 1.00 15.00 C ATOM 752 C ASP B 217 -16.633 -4.485 -1.657 1.00 15.00 C ATOM 753 O ASP B 217 -16.211 -3.739 -0.747 1.00 15.00 O ATOM 754 CB ASP B 217 -16.567 -6.602 -0.328 1.00 15.00 C ATOM 755 CG ASP B 217 -18.020 -6.385 0.041 1.00 15.00 C ATOM 756 OD1 ASP B 217 -18.902 -6.937 -0.648 1.00 15.00 O1- ATOM 757 OD2 ASP B 217 -18.286 -5.668 1.026 1.00 15.00 O ATOM 758 OXT ASP B 217 -17.380 -4.087 -2.573 1.00 15.00 O ATOM 0 H ASP B 217 -14.200 -5.680 -1.104 1.00 15.00 H new ATOM 0 HA ASP B 217 -16.705 -6.471 -2.461 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -16.367 -7.672 -0.390 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -15.931 -6.204 0.463 1.00 15.00 H new TER 763 ASP B 217