USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=12 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=-0.00391 K(o=-2.9,f=-1.8) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -2.89! USER MOD Set 2.1: A 250 ASN : amide:sc= -0.704 K(o=-0.61,f=-9.4!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.0933 K(o=-0.61,f=-4.9!) USER MOD Set 3.1: A 238 GLN : amide:sc= -3.51! C(o=-3.5!,f=-9.2!) USER MOD Set 3.2: A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 242 GLN : amide:sc= -0.878 K(o=-0.88,f=0) USER MOD Single : A 247 TYR OH : rot 163:sc= -1.63 USER MOD Single : A 248 TYR OH : rot -30:sc= -1.38 USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ -134:sc= -2.03! (180deg=-4.66!) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot -171:sc= 0.816 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 28:sc= 0.0867 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 -162:sc= -0.243 (180deg=-0.958) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.083 -0.841 -6.274 1.00 15.00 N ATOM 2 CA GLY A 230 11.483 -1.119 -5.884 1.00 15.00 C ATOM 3 C GLY A 230 11.582 -1.598 -4.454 1.00 15.00 C ATOM 4 O GLY A 230 10.702 -2.319 -3.981 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.903 -1.873 -6.550 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.081 -0.216 -6.007 1.00 15.00 H new ATOM 10 N PRO A 231 12.655 -1.231 -3.743 1.00 15.00 N ATOM 11 CA PRO A 231 12.802 -1.542 -2.327 1.00 15.00 C ATOM 12 C PRO A 231 12.089 -0.514 -1.452 1.00 15.00 C ATOM 13 O PRO A 231 12.316 0.683 -1.584 1.00 15.00 O ATOM 14 CB PRO A 231 14.315 -1.480 -2.123 1.00 15.00 C ATOM 15 CG PRO A 231 14.793 -0.470 -3.116 1.00 15.00 C ATOM 16 CD PRO A 231 13.818 -0.492 -4.268 1.00 15.00 C ATOM 0 HA PRO A 231 12.365 -2.502 -2.053 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.565 -1.183 -1.105 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.777 -2.452 -2.294 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.838 0.522 -2.667 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.800 -0.711 -3.458 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.543 0.517 -4.576 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.244 -0.987 -5.141 1.00 15.00 H new ATOM 24 N LEU A 232 11.228 -0.984 -0.566 1.00 15.00 N ATOM 25 CA LEU A 232 10.442 -0.093 0.278 1.00 15.00 C ATOM 26 C LEU A 232 11.067 0.073 1.657 1.00 15.00 C ATOM 27 O LEU A 232 11.883 -0.747 2.067 1.00 15.00 O ATOM 28 CB LEU A 232 8.973 -0.519 0.420 1.00 15.00 C ATOM 29 CG LEU A 232 8.076 -0.216 -0.779 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.124 1.247 -1.159 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.438 -1.071 -1.976 1.00 15.00 C ATOM 0 H LEU A 232 11.054 -1.977 -0.410 1.00 15.00 H new ATOM 0 HA LEU A 232 10.450 0.867 -0.238 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.942 -1.592 0.612 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.554 -0.026 1.297 1.00 15.00 H new ATOM 0 HG LEU A 232 7.058 -0.459 -0.474 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.473 1.422 -2.016 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.787 1.853 -0.318 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.146 1.522 -1.418 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.779 -0.828 -2.809 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.472 -0.877 -2.262 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.324 -2.124 -1.719 1.00 15.00 H new ATOM 43 N PRO A 233 10.688 1.145 2.397 1.00 15.00 N ATOM 44 CA PRO A 233 11.234 1.458 3.739 1.00 15.00 C ATOM 45 C PRO A 233 11.010 0.336 4.759 1.00 15.00 C ATOM 46 O PRO A 233 11.476 0.426 5.897 1.00 15.00 O ATOM 47 CB PRO A 233 10.431 2.705 4.133 1.00 15.00 C ATOM 48 CG PRO A 233 10.144 3.338 2.829 1.00 15.00 C ATOM 49 CD PRO A 233 9.705 2.182 1.998 1.00 15.00 C ATOM 0 HA PRO A 233 12.315 1.594 3.721 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.516 2.445 4.666 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.003 3.365 4.785 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.367 4.098 2.909 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.025 3.826 2.412 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.680 1.883 2.219 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.750 2.402 0.931 1.00 15.00 H new ATOM 57 N ASP A 234 10.205 -0.654 4.359 1.00 15.00 N ATOM 58 CA ASP A 234 9.971 -1.888 5.127 1.00 15.00 C ATOM 59 C ASP A 234 8.831 -1.705 6.106 1.00 15.00 C ATOM 60 O ASP A 234 8.566 -2.566 6.943 1.00 15.00 O ATOM 61 CB ASP A 234 11.231 -2.370 5.866 1.00 15.00 C ATOM 62 CG ASP A 234 12.354 -2.770 4.932 1.00 15.00 C ATOM 63 OD1 ASP A 234 12.294 -3.885 4.369 1.00 15.00 O ATOM 64 OD2 ASP A 234 13.310 -1.981 4.768 1.00 15.00 O1- ATOM 0 H ASP A 234 9.689 -0.623 3.480 1.00 15.00 H new ATOM 0 HA ASP A 234 9.702 -2.659 4.404 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.582 -1.578 6.527 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.972 -3.220 6.497 1.00 15.00 H new ATOM 69 N GLY A 235 8.131 -0.595 5.971 1.00 15.00 N ATOM 70 CA GLY A 235 6.927 -0.394 6.740 1.00 15.00 C ATOM 71 C GLY A 235 5.710 -0.883 5.990 1.00 15.00 C ATOM 72 O GLY A 235 4.724 -1.310 6.593 1.00 15.00 O ATOM 0 H GLY A 235 8.375 0.171 5.343 1.00 15.00 H new ATOM 0 HA2 GLY A 235 7.007 -0.921 7.691 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.813 0.665 6.972 1.00 15.00 H new ATOM 76 N TRP A 236 5.794 -0.856 4.666 1.00 15.00 N ATOM 77 CA TRP A 236 4.655 -1.185 3.829 1.00 15.00 C ATOM 78 C TRP A 236 4.959 -2.152 2.698 1.00 15.00 C ATOM 79 O TRP A 236 6.059 -2.178 2.144 1.00 15.00 O ATOM 80 CB TRP A 236 3.964 0.071 3.290 1.00 15.00 C ATOM 81 CG TRP A 236 4.823 1.289 3.078 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.161 1.373 2.798 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.349 2.635 3.150 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.531 2.690 2.700 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.437 3.482 2.913 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.098 3.201 3.396 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.313 4.869 2.919 1.00 15.00 C ATOM 88 CZ3 TRP A 236 2.973 4.575 3.400 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.078 5.397 3.164 1.00 15.00 C ATOM 0 H TRP A 236 6.640 -0.609 4.152 1.00 15.00 H new ATOM 0 HA TRP A 236 3.971 -1.711 4.495 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.496 -0.182 2.339 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.162 0.338 3.979 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.824 0.530 2.673 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.473 3.026 2.500 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.239 2.572 3.581 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.166 5.506 2.736 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.008 5.021 3.588 1.00 15.00 H new ATOM 0 HH2 TRP A 236 3.953 6.470 3.176 1.00 15.00 H new ATOM 100 N GLU A 237 3.923 -2.911 2.360 1.00 15.00 N ATOM 101 CA GLU A 237 3.961 -3.946 1.346 1.00 15.00 C ATOM 102 C GLU A 237 2.913 -3.628 0.276 1.00 15.00 C ATOM 103 O GLU A 237 1.825 -3.148 0.604 1.00 15.00 O ATOM 104 CB GLU A 237 3.655 -5.289 2.018 1.00 15.00 C ATOM 105 CG GLU A 237 3.423 -6.439 1.058 1.00 15.00 C ATOM 106 CD GLU A 237 4.653 -6.797 0.255 1.00 15.00 C ATOM 107 OE1 GLU A 237 5.447 -7.634 0.730 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.825 -6.254 -0.858 1.00 15.00 O ATOM 0 H GLU A 237 3.008 -2.816 2.800 1.00 15.00 H new ATOM 0 HA GLU A 237 4.942 -3.995 0.873 1.00 15.00 H new ATOM 0 HB2 GLU A 237 4.483 -5.546 2.679 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.771 -5.173 2.645 1.00 15.00 H new ATOM 0 HG2 GLU A 237 3.096 -7.314 1.620 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.614 -6.178 0.376 1.00 15.00 H new ATOM 115 N GLN A 238 3.221 -3.915 -0.984 1.00 15.00 N ATOM 116 CA GLN A 238 2.322 -3.574 -2.082 1.00 15.00 C ATOM 117 C GLN A 238 1.345 -4.728 -2.358 1.00 15.00 C ATOM 118 O GLN A 238 1.768 -5.877 -2.522 1.00 15.00 O ATOM 119 CB GLN A 238 3.132 -3.208 -3.341 1.00 15.00 C ATOM 120 CG GLN A 238 2.295 -2.954 -4.588 1.00 15.00 C ATOM 121 CD GLN A 238 1.943 -4.227 -5.341 1.00 15.00 C ATOM 122 OE1 GLN A 238 0.890 -4.319 -5.961 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.827 -5.216 -5.299 1.00 15.00 N ATOM 0 H GLN A 238 4.082 -4.381 -1.270 1.00 15.00 H new ATOM 0 HA GLN A 238 1.732 -2.703 -1.797 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.723 -2.317 -3.129 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.835 -4.014 -3.551 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.376 -2.442 -4.303 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.840 -2.284 -5.254 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.693 -5.104 -4.772 1.00 15.00 H new ATOM 0 HE22 GLN A 238 2.640 -6.088 -5.793 1.00 15.00 H new ATOM 132 N ALA A 239 0.044 -4.422 -2.407 1.00 15.00 N ATOM 133 CA ALA A 239 -0.969 -5.409 -2.739 1.00 15.00 C ATOM 134 C ALA A 239 -1.816 -4.910 -3.906 1.00 15.00 C ATOM 135 O ALA A 239 -2.004 -3.703 -4.070 1.00 15.00 O ATOM 136 CB ALA A 239 -1.843 -5.699 -1.526 1.00 15.00 C ATOM 0 H ALA A 239 -0.326 -3.490 -2.218 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.478 -6.336 -3.035 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.597 -6.440 -1.790 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.224 -6.084 -0.715 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.334 -4.781 -1.203 1.00 15.00 H new ATOM 142 N MET A 240 -2.322 -5.832 -4.709 1.00 15.00 N ATOM 143 CA MET A 240 -3.086 -5.471 -5.896 1.00 15.00 C ATOM 144 C MET A 240 -4.572 -5.735 -5.692 1.00 15.00 C ATOM 145 O MET A 240 -4.969 -6.867 -5.412 1.00 15.00 O ATOM 146 CB MET A 240 -2.604 -6.276 -7.109 1.00 15.00 C ATOM 147 CG MET A 240 -1.126 -6.116 -7.415 1.00 15.00 C ATOM 148 SD MET A 240 -0.625 -6.981 -8.918 1.00 15.00 S ATOM 149 CE MET A 240 1.124 -6.591 -8.961 1.00 15.00 C ATOM 0 H MET A 240 -2.218 -6.836 -4.562 1.00 15.00 H new ATOM 0 HA MET A 240 -2.932 -4.407 -6.073 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.816 -7.331 -6.938 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.179 -5.973 -7.984 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.893 -5.056 -7.517 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.543 -6.491 -6.574 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.579 -7.055 -9.836 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.255 -5.510 -9.015 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.604 -6.970 -8.058 1.00 15.00 H new ATOM 159 N THR A 241 -5.396 -4.705 -5.835 1.00 15.00 N ATOM 160 CA THR A 241 -6.834 -4.903 -5.836 1.00 15.00 C ATOM 161 C THR A 241 -7.341 -4.960 -7.273 1.00 15.00 C ATOM 162 O THR A 241 -6.922 -4.167 -8.131 1.00 15.00 O ATOM 163 CB THR A 241 -7.609 -3.828 -5.033 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.011 -4.122 -5.061 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.379 -2.426 -5.578 1.00 15.00 C ATOM 0 H THR A 241 -5.096 -3.737 -5.950 1.00 15.00 H new ATOM 0 HA THR A 241 -7.023 -5.850 -5.330 1.00 15.00 H new ATOM 0 HB THR A 241 -7.235 -3.854 -4.009 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.281 -4.509 -4.202 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.943 -1.707 -4.983 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.317 -2.186 -5.527 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.712 -2.379 -6.615 1.00 15.00 H new ATOM 173 N GLN A 242 -8.253 -5.897 -7.523 1.00 15.00 N ATOM 174 CA GLN A 242 -8.730 -6.186 -8.868 1.00 15.00 C ATOM 175 C GLN A 242 -9.498 -5.003 -9.452 1.00 15.00 C ATOM 176 O GLN A 242 -9.826 -4.987 -10.640 1.00 15.00 O ATOM 177 CB GLN A 242 -9.599 -7.445 -8.856 1.00 15.00 C ATOM 178 CG GLN A 242 -9.979 -7.943 -10.240 1.00 15.00 C ATOM 179 CD GLN A 242 -10.813 -9.206 -10.205 1.00 15.00 C ATOM 180 OE1 GLN A 242 -10.734 -10.038 -11.111 1.00 15.00 O ATOM 181 NE2 GLN A 242 -11.627 -9.359 -9.172 1.00 15.00 N ATOM 0 H GLN A 242 -8.680 -6.475 -6.799 1.00 15.00 H new ATOM 0 HA GLN A 242 -7.865 -6.361 -9.507 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.067 -8.237 -8.329 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.509 -7.241 -8.291 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -10.533 -7.163 -10.762 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.072 -8.129 -10.815 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -11.664 -8.648 -8.442 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -12.217 -10.188 -9.106 1.00 15.00 H new ATOM 190 N ASP A 243 -9.790 -4.013 -8.613 1.00 15.00 N ATOM 191 CA ASP A 243 -10.459 -2.795 -9.067 1.00 15.00 C ATOM 192 C ASP A 243 -9.553 -2.011 -10.021 1.00 15.00 C ATOM 193 O ASP A 243 -9.985 -1.057 -10.663 1.00 15.00 O ATOM 194 CB ASP A 243 -10.873 -1.922 -7.877 1.00 15.00 C ATOM 195 CG ASP A 243 -11.846 -0.830 -8.278 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.884 -1.153 -8.896 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -11.582 0.355 -7.986 1.00 15.00 O ATOM 0 H ASP A 243 -9.575 -4.029 -7.616 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.362 -3.083 -9.605 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.329 -2.549 -7.110 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.985 -1.470 -7.434 1.00 15.00 H new ATOM 202 N GLY A 244 -8.296 -2.438 -10.110 1.00 15.00 N ATOM 203 CA GLY A 244 -7.385 -1.876 -11.092 1.00 15.00 C ATOM 204 C GLY A 244 -6.336 -0.936 -10.524 1.00 15.00 C ATOM 205 O GLY A 244 -5.818 -0.090 -11.252 1.00 15.00 O ATOM 0 H GLY A 244 -7.892 -3.164 -9.519 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.880 -2.693 -11.607 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.967 -1.338 -11.841 1.00 15.00 H new ATOM 209 N GLU A 245 -5.998 -1.076 -9.243 1.00 15.00 N ATOM 210 CA GLU A 245 -4.966 -0.237 -8.636 1.00 15.00 C ATOM 211 C GLU A 245 -4.221 -1.015 -7.561 1.00 15.00 C ATOM 212 O GLU A 245 -4.782 -1.899 -6.916 1.00 15.00 O ATOM 213 CB GLU A 245 -5.560 1.047 -8.031 1.00 15.00 C ATOM 214 CG GLU A 245 -6.120 2.019 -9.063 1.00 15.00 C ATOM 215 CD GLU A 245 -5.854 3.475 -8.732 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.757 3.975 -9.072 1.00 15.00 O ATOM 217 OE2 GLU A 245 -6.747 4.137 -8.162 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.419 -1.756 -8.610 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.272 0.052 -9.425 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.354 0.775 -7.336 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.788 1.554 -7.451 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.687 1.791 -10.037 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.196 1.865 -9.149 1.00 15.00 H new ATOM 224 N ILE A 246 -2.958 -0.681 -7.363 1.00 15.00 N ATOM 225 CA ILE A 246 -2.153 -1.326 -6.339 1.00 15.00 C ATOM 226 C ILE A 246 -1.924 -0.361 -5.179 1.00 15.00 C ATOM 227 O ILE A 246 -1.798 0.844 -5.389 1.00 15.00 O ATOM 228 CB ILE A 246 -0.801 -1.814 -6.905 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.072 -0.635 -7.349 1.00 15.00 C ATOM 230 CG2 ILE A 246 -1.041 -2.760 -8.072 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.418 -1.052 -7.907 1.00 15.00 C ATOM 0 H ILE A 246 -2.466 0.034 -7.899 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.696 -2.201 -5.981 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.270 -2.345 -6.114 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.464 -0.062 -8.106 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.230 0.029 -6.499 1.00 15.00 H new ATOM 0 HG21 ILE A 246 -0.084 -3.101 -8.467 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.619 -3.619 -7.731 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.592 -2.239 -8.855 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.981 -0.166 -8.200 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.974 -1.599 -7.146 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.269 -1.691 -8.777 1.00 15.00 H new ATOM 243 N TYR A 247 -1.890 -0.883 -3.961 1.00 15.00 N ATOM 244 CA TYR A 247 -1.794 -0.036 -2.778 1.00 15.00 C ATOM 245 C TYR A 247 -0.815 -0.617 -1.751 1.00 15.00 C ATOM 246 O TYR A 247 -0.687 -1.836 -1.621 1.00 15.00 O ATOM 247 CB TYR A 247 -3.179 0.151 -2.132 1.00 15.00 C ATOM 248 CG TYR A 247 -3.850 -1.139 -1.698 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.369 -2.026 -2.633 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.967 -1.468 -0.350 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.978 -3.202 -2.242 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.577 -2.644 0.046 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.077 -3.506 -0.903 1.00 15.00 C ATOM 254 OH TYR A 247 -5.683 -4.676 -0.510 1.00 15.00 O ATOM 0 H TYR A 247 -1.927 -1.883 -3.765 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.416 0.934 -3.100 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.076 0.802 -1.264 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.830 0.664 -2.840 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.295 -1.791 -3.685 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.575 -0.794 0.398 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.375 -3.880 -2.983 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.661 -2.885 1.095 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.441 -4.874 0.419 1.00 15.00 H new ATOM 264 N TYR A 248 -0.150 0.263 -1.010 1.00 15.00 N ATOM 265 CA TYR A 248 0.766 -0.129 0.048 1.00 15.00 C ATOM 266 C TYR A 248 0.091 -0.054 1.404 1.00 15.00 C ATOM 267 O TYR A 248 -0.370 1.013 1.821 1.00 15.00 O ATOM 268 CB TYR A 248 1.999 0.777 0.059 1.00 15.00 C ATOM 269 CG TYR A 248 3.015 0.437 -0.997 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.855 0.854 -2.310 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.138 -0.302 -0.674 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.790 0.537 -3.272 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.073 -0.620 -1.629 1.00 15.00 C ATOM 274 CZ TYR A 248 4.894 -0.200 -2.927 1.00 15.00 C ATOM 275 OH TYR A 248 5.825 -0.523 -3.885 1.00 15.00 O ATOM 0 H TYR A 248 -0.234 1.273 -1.129 1.00 15.00 H new ATOM 0 HA TYR A 248 1.070 -1.157 -0.148 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.680 1.810 -0.077 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.473 0.717 1.038 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.986 1.435 -2.582 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.282 -0.634 0.344 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.654 0.867 -4.291 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.946 -1.198 -1.362 1.00 15.00 H new ATOM 0 HH TYR A 248 5.384 -0.602 -4.756 1.00 15.00 H new ATOM 285 N ILE A 249 0.032 -1.182 2.086 1.00 15.00 N ATOM 286 CA ILE A 249 -0.446 -1.213 3.451 1.00 15.00 C ATOM 287 C ILE A 249 0.735 -1.112 4.408 1.00 15.00 C ATOM 288 O ILE A 249 1.603 -1.992 4.442 1.00 15.00 O ATOM 289 CB ILE A 249 -1.270 -2.486 3.747 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.573 -3.734 3.188 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.672 -2.347 3.172 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.326 -5.022 3.447 1.00 15.00 C ATOM 0 H ILE A 249 0.310 -2.090 1.714 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.109 -0.360 3.594 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.347 -2.604 4.828 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.438 -3.613 2.113 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.422 -3.811 3.627 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.244 -3.250 3.386 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.167 -1.488 3.624 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.610 -2.204 2.093 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.772 -5.859 3.023 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.438 -5.168 4.521 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.311 -4.967 2.984 1.00 15.00 H new ATOM 304 N ASN A 250 0.777 -0.034 5.172 1.00 15.00 N ATOM 305 CA ASN A 250 1.885 0.206 6.081 1.00 15.00 C ATOM 306 C ASN A 250 1.568 -0.432 7.441 1.00 15.00 C ATOM 307 O ASN A 250 0.688 0.059 8.151 1.00 15.00 O ATOM 308 CB ASN A 250 2.126 1.711 6.254 1.00 15.00 C ATOM 309 CG ASN A 250 3.381 2.025 7.053 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.819 1.239 7.894 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.963 3.186 6.804 1.00 15.00 N ATOM 0 H ASN A 250 0.057 0.689 5.181 1.00 15.00 H new ATOM 0 HA ASN A 250 2.789 -0.240 5.666 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.202 2.176 5.271 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.264 2.156 6.752 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.803 3.456 7.316 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.572 3.812 6.100 1.00 15.00 H new ATOM 318 N HIS A 251 2.264 -1.523 7.804 1.00 15.00 N ATOM 319 CA HIS A 251 1.936 -2.274 9.005 1.00 15.00 C ATOM 320 C HIS A 251 2.550 -1.626 10.238 1.00 15.00 C ATOM 321 O HIS A 251 2.154 -1.913 11.367 1.00 15.00 O ATOM 322 CB HIS A 251 2.432 -3.722 8.879 1.00 15.00 C ATOM 323 CG HIS A 251 1.726 -4.533 7.828 1.00 15.00 C ATOM 324 ND1 HIS A 251 2.177 -4.656 6.526 1.00 15.00 N ATOM 325 CD2 HIS A 251 0.607 -5.289 7.902 1.00 15.00 C ATOM 326 CE1 HIS A 251 1.367 -5.451 5.859 1.00 15.00 C ATOM 327 NE2 HIS A 251 0.405 -5.853 6.667 1.00 15.00 N ATOM 0 H HIS A 251 3.054 -1.896 7.277 1.00 15.00 H new ATOM 0 HA HIS A 251 0.852 -2.273 9.117 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.499 -3.709 8.655 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.315 -4.218 9.842 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -0.015 -5.424 8.775 1.00 15.00 H new ATOM 0 HE1 HIS A 251 1.473 -5.729 4.821 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -0.361 -6.478 6.416 1.00 15.00 H new ATOM 336 N LYS A 252 3.544 -0.778 10.019 1.00 15.00 N ATOM 337 CA LYS A 252 4.227 -0.114 11.122 1.00 15.00 C ATOM 338 C LYS A 252 3.610 1.246 11.459 1.00 15.00 C ATOM 339 O LYS A 252 3.823 1.771 12.552 1.00 15.00 O ATOM 340 CB LYS A 252 5.714 0.039 10.807 1.00 15.00 C ATOM 341 CG LYS A 252 6.405 -1.288 10.544 1.00 15.00 C ATOM 342 CD LYS A 252 7.897 -1.117 10.323 1.00 15.00 C ATOM 343 CE LYS A 252 8.566 -2.453 10.045 1.00 15.00 C ATOM 344 NZ LYS A 252 10.036 -2.319 9.895 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.895 -0.534 9.093 1.00 15.00 H new ATOM 0 HA LYS A 252 4.106 -0.745 12.002 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.831 0.682 9.935 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.207 0.540 11.640 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.238 -1.958 11.388 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.960 -1.761 9.668 1.00 15.00 H new ATOM 0 HD2 LYS A 252 8.068 -0.440 9.486 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.348 -0.657 11.203 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.346 -3.144 10.858 1.00 15.00 H new ATOM 0 HE3 LYS A 252 8.147 -2.886 9.137 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 10.452 -3.253 9.707 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 10.247 -1.680 9.102 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 10.440 -1.930 10.771 1.00 15.00 H new ATOM 358 N ASN A 253 2.874 1.835 10.522 1.00 15.00 N ATOM 359 CA ASN A 253 2.224 3.117 10.773 1.00 15.00 C ATOM 360 C ASN A 253 0.706 3.019 10.663 1.00 15.00 C ATOM 361 O ASN A 253 -0.001 3.975 10.989 1.00 15.00 O ATOM 362 CB ASN A 253 2.747 4.190 9.812 1.00 15.00 C ATOM 363 CG ASN A 253 4.205 4.530 10.053 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.104 3.918 9.477 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.449 5.508 10.911 1.00 15.00 N ATOM 0 H ASN A 253 2.713 1.450 9.591 1.00 15.00 H new ATOM 0 HA ASN A 253 2.469 3.402 11.796 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.624 3.844 8.786 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.145 5.092 9.919 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.411 5.779 11.115 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.675 5.991 11.368 1.00 15.00 H new ATOM 372 N LYS A 254 0.204 1.868 10.201 1.00 15.00 N ATOM 373 CA LYS A 254 -1.235 1.639 10.089 1.00 15.00 C ATOM 374 C LYS A 254 -1.842 2.620 9.070 1.00 15.00 C ATOM 375 O LYS A 254 -2.975 3.085 9.204 1.00 15.00 O ATOM 376 CB LYS A 254 -1.866 1.770 11.488 1.00 15.00 C ATOM 377 CG LYS A 254 -3.365 1.526 11.560 1.00 15.00 C ATOM 378 CD LYS A 254 -3.900 1.689 12.980 1.00 15.00 C ATOM 379 CE LYS A 254 -3.802 3.128 13.488 1.00 15.00 C ATOM 380 NZ LYS A 254 -2.413 3.523 13.856 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.778 1.081 9.899 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.441 0.634 9.720 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.369 1.068 12.158 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.661 2.771 11.867 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.878 2.222 10.896 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.587 0.521 11.201 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.941 1.368 13.010 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.344 1.033 13.650 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -4.175 3.805 12.719 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -4.449 3.245 14.357 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -2.422 4.009 14.775 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -1.816 2.674 13.920 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -2.030 4.162 13.130 1.00 15.00 H new ATOM 394 N THR A 255 -1.089 2.874 8.007 1.00 15.00 N ATOM 395 CA THR A 255 -1.481 3.858 7.002 1.00 15.00 C ATOM 396 C THR A 255 -1.465 3.254 5.594 1.00 15.00 C ATOM 397 O THR A 255 -0.710 2.324 5.328 1.00 15.00 O ATOM 398 CB THR A 255 -0.550 5.087 7.036 1.00 15.00 C ATOM 399 OG1 THR A 255 0.818 4.666 7.075 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.845 5.967 8.239 1.00 15.00 C ATOM 0 H THR A 255 -0.200 2.411 7.817 1.00 15.00 H new ATOM 0 HA THR A 255 -2.497 4.170 7.242 1.00 15.00 H new ATOM 0 HB THR A 255 -0.729 5.668 6.131 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.402 5.453 7.095 1.00 15.00 H new ATOM 0 HG21 THR A 255 -0.173 6.825 8.236 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.877 6.314 8.191 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.697 5.394 9.154 1.00 15.00 H new ATOM 408 N THR A 256 -2.317 3.754 4.702 1.00 15.00 N ATOM 409 CA THR A 256 -2.322 3.283 3.322 1.00 15.00 C ATOM 410 C THR A 256 -1.786 4.368 2.385 1.00 15.00 C ATOM 411 O THR A 256 -2.143 5.538 2.514 1.00 15.00 O ATOM 412 CB THR A 256 -3.743 2.890 2.864 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.481 2.327 3.960 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.676 1.874 1.731 1.00 15.00 C ATOM 0 H THR A 256 -3.006 4.478 4.908 1.00 15.00 H new ATOM 0 HA THR A 256 -1.680 2.403 3.280 1.00 15.00 H new ATOM 0 HB THR A 256 -4.247 3.790 2.511 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.323 1.952 3.629 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.686 1.608 1.421 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.139 2.306 0.887 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.155 0.980 2.074 1.00 15.00 H new ATOM 422 N SER A 257 -0.920 3.978 1.461 1.00 15.00 N ATOM 423 CA SER A 257 -0.406 4.892 0.447 1.00 15.00 C ATOM 424 C SER A 257 -0.309 4.155 -0.881 1.00 15.00 C ATOM 425 O SER A 257 0.140 3.024 -0.914 1.00 15.00 O ATOM 426 CB SER A 257 0.965 5.437 0.858 1.00 15.00 C ATOM 427 OG SER A 257 1.438 6.399 -0.073 1.00 15.00 O ATOM 0 H SER A 257 -0.555 3.028 1.391 1.00 15.00 H new ATOM 0 HA SER A 257 -1.086 5.738 0.345 1.00 15.00 H new ATOM 0 HB2 SER A 257 0.897 5.888 1.848 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.678 4.616 0.930 1.00 15.00 H new ATOM 0 HG SER A 257 2.314 6.731 0.216 1.00 15.00 H new ATOM 433 N TRP A 258 -0.709 4.801 -1.968 1.00 15.00 N ATOM 434 CA TRP A 258 -0.844 4.127 -3.260 1.00 15.00 C ATOM 435 C TRP A 258 0.466 3.511 -3.775 1.00 15.00 C ATOM 436 O TRP A 258 0.589 2.291 -3.867 1.00 15.00 O ATOM 437 CB TRP A 258 -1.401 5.092 -4.311 1.00 15.00 C ATOM 438 CG TRP A 258 -2.888 5.294 -4.228 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.547 6.456 -3.943 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.899 4.302 -4.443 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.907 6.247 -3.971 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.147 4.931 -4.277 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.870 2.943 -4.761 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.352 4.243 -4.423 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.064 2.264 -4.902 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.290 2.914 -4.736 1.00 15.00 C ATOM 0 H TRP A 258 -0.947 5.793 -1.984 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.538 3.303 -3.095 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.907 6.057 -4.201 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.150 4.717 -5.303 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -3.070 7.401 -3.727 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.620 6.955 -3.793 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.929 2.431 -4.895 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.300 4.743 -4.293 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.050 1.212 -5.145 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.206 2.355 -4.857 1.00 15.00 H new ATOM 457 N LEU A 259 1.441 4.352 -4.100 1.00 15.00 N ATOM 458 CA LEU A 259 2.602 3.915 -4.878 1.00 15.00 C ATOM 459 C LEU A 259 3.932 4.098 -4.160 1.00 15.00 C ATOM 460 O LEU A 259 4.047 4.874 -3.212 1.00 15.00 O ATOM 461 CB LEU A 259 2.626 4.579 -6.249 1.00 15.00 C ATOM 462 CG LEU A 259 1.770 3.862 -7.295 1.00 15.00 C ATOM 463 CD1 LEU A 259 1.909 4.529 -8.653 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.159 2.386 -7.371 1.00 15.00 C ATOM 0 H LEU A 259 1.454 5.338 -3.839 1.00 15.00 H new ATOM 0 HA LEU A 259 2.481 2.840 -5.008 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.278 5.607 -6.151 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.656 4.623 -6.604 1.00 15.00 H new ATOM 0 HG LEU A 259 0.724 3.929 -6.995 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.292 4.003 -9.382 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.583 5.567 -8.584 1.00 15.00 H new ATOM 0 HD13 LEU A 259 2.952 4.496 -8.969 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.543 1.886 -8.118 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.209 2.300 -7.649 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.002 1.918 -6.399 1.00 15.00 H new ATOM 476 N ASP A 260 4.929 3.361 -4.660 1.00 15.00 N ATOM 477 CA ASP A 260 6.250 3.236 -4.038 1.00 15.00 C ATOM 478 C ASP A 260 6.928 4.596 -3.908 1.00 15.00 C ATOM 479 O ASP A 260 7.271 5.242 -4.903 1.00 15.00 O ATOM 480 CB ASP A 260 7.116 2.312 -4.913 1.00 15.00 C ATOM 481 CG ASP A 260 8.518 2.049 -4.374 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.070 2.903 -3.650 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.075 0.975 -4.693 1.00 15.00 O ATOM 0 H ASP A 260 4.838 2.825 -5.523 1.00 15.00 H new ATOM 0 HA ASP A 260 6.133 2.821 -3.037 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.602 1.358 -5.029 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.201 2.751 -5.907 1.00 15.00 H new ATOM 488 N PRO A 261 7.089 5.052 -2.657 1.00 15.00 N ATOM 489 CA PRO A 261 7.693 6.341 -2.342 1.00 15.00 C ATOM 490 C PRO A 261 9.219 6.325 -2.383 1.00 15.00 C ATOM 491 O PRO A 261 9.856 7.371 -2.524 1.00 15.00 O ATOM 492 CB PRO A 261 7.200 6.597 -0.921 1.00 15.00 C ATOM 493 CG PRO A 261 7.073 5.244 -0.312 1.00 15.00 C ATOM 494 CD PRO A 261 6.691 4.319 -1.437 1.00 15.00 C ATOM 0 HA PRO A 261 7.417 7.107 -3.067 1.00 15.00 H new ATOM 0 HB2 PRO A 261 7.903 7.217 -0.364 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.244 7.121 -0.922 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.011 4.933 0.148 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.316 5.238 0.472 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.208 3.363 -1.360 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.622 4.105 -1.431 1.00 15.00 H new ATOM 502 N ARG A 262 9.795 5.140 -2.239 1.00 15.00 N ATOM 503 CA ARG A 262 11.231 5.000 -2.036 1.00 15.00 C ATOM 504 C ARG A 262 12.000 5.109 -3.352 1.00 15.00 C ATOM 505 O ARG A 262 13.229 5.190 -3.365 1.00 15.00 O ATOM 506 CB ARG A 262 11.536 3.675 -1.327 1.00 15.00 C ATOM 507 CG ARG A 262 12.994 3.535 -0.916 1.00 15.00 C ATOM 508 CD ARG A 262 13.378 4.601 0.094 1.00 15.00 C ATOM 509 NE ARG A 262 14.824 4.719 0.257 1.00 15.00 N ATOM 510 CZ ARG A 262 15.410 5.704 0.933 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.671 6.583 1.593 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.731 5.800 0.971 1.00 15.00 N ATOM 0 H ARG A 262 9.286 4.256 -2.259 1.00 15.00 H new ATOM 0 HA ARG A 262 11.565 5.821 -1.402 1.00 15.00 H new ATOM 0 HB2 ARG A 262 10.906 3.591 -0.441 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.270 2.849 -1.986 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.162 2.546 -0.489 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.633 3.615 -1.795 1.00 15.00 H new ATOM 0 HD2 ARG A 262 12.971 5.561 -0.223 1.00 15.00 H new ATOM 0 HD3 ARG A 262 12.925 4.365 1.057 1.00 15.00 H new ATOM 0 HE ARG A 262 15.417 4.008 -0.170 1.00 15.00 H new ATOM 0 HH11 ARG A 262 13.654 6.504 1.583 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.119 7.339 2.112 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.306 5.116 0.480 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.172 6.558 1.491 1.00 15.00 H new ATOM 526 N LEU A 263 11.277 5.104 -4.459 1.00 15.00 N ATOM 527 CA LEU A 263 11.900 5.228 -5.773 1.00 15.00 C ATOM 528 C LEU A 263 12.235 6.682 -6.097 1.00 15.00 C ATOM 529 O LEU A 263 12.906 6.966 -7.091 1.00 15.00 O ATOM 530 CB LEU A 263 10.988 4.649 -6.856 1.00 15.00 C ATOM 531 CG LEU A 263 10.742 3.145 -6.755 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.800 2.688 -7.855 1.00 15.00 C ATOM 533 CD2 LEU A 263 12.057 2.383 -6.824 1.00 15.00 C ATOM 0 H LEU A 263 10.261 5.016 -4.478 1.00 15.00 H new ATOM 0 HA LEU A 263 12.831 4.662 -5.750 1.00 15.00 H new ATOM 0 HB2 LEU A 263 10.028 5.163 -6.814 1.00 15.00 H new ATOM 0 HB3 LEU A 263 11.424 4.866 -7.831 1.00 15.00 H new ATOM 0 HG LEU A 263 10.276 2.934 -5.793 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.635 1.614 -7.770 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.848 3.210 -7.759 1.00 15.00 H new ATOM 0 HD13 LEU A 263 10.240 2.911 -8.827 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.862 1.313 -6.750 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.552 2.597 -7.771 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.700 2.692 -6.000 1.00 15.00 H new ATOM 545 N ASP A 264 11.745 7.598 -5.267 1.00 15.00 N ATOM 546 CA ASP A 264 11.937 9.032 -5.499 1.00 15.00 C ATOM 547 C ASP A 264 13.415 9.467 -5.513 1.00 15.00 C ATOM 548 O ASP A 264 13.824 10.185 -6.426 1.00 15.00 O ATOM 549 CB ASP A 264 11.156 9.861 -4.476 1.00 15.00 C ATOM 550 CG ASP A 264 11.282 11.350 -4.727 1.00 15.00 C ATOM 551 OD1 ASP A 264 10.709 11.840 -5.724 1.00 15.00 O ATOM 552 OD2 ASP A 264 11.945 12.039 -3.924 1.00 15.00 O1- ATOM 0 H ASP A 264 11.211 7.376 -4.427 1.00 15.00 H new ATOM 0 HA ASP A 264 11.548 9.221 -6.499 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.104 9.577 -4.508 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.518 9.632 -3.474 1.00 15.00 H new ATOM 557 N PRO A 265 14.225 9.088 -4.498 1.00 15.00 N ATOM 558 CA PRO A 265 15.652 9.446 -4.444 1.00 15.00 C ATOM 559 C PRO A 265 16.432 8.972 -5.667 1.00 15.00 C ATOM 560 O PRO A 265 16.721 9.807 -6.553 1.00 15.00 O ATOM 561 CB PRO A 265 16.165 8.742 -3.179 1.00 15.00 C ATOM 562 CG PRO A 265 15.121 7.735 -2.837 1.00 15.00 C ATOM 563 CD PRO A 265 13.825 8.314 -3.320 1.00 15.00 C ATOM 564 OXT PRO A 265 16.772 7.771 -5.734 1.00 15.00 O ATOM 0 HA PRO A 265 15.785 10.528 -4.429 1.00 15.00 H new ATOM 0 HB2 PRO A 265 17.128 8.264 -3.358 1.00 15.00 H new ATOM 0 HB3 PRO A 265 16.308 9.452 -2.365 1.00 15.00 H new ATOM 0 HG2 PRO A 265 15.326 6.779 -3.319 1.00 15.00 H new ATOM 0 HG3 PRO A 265 15.091 7.551 -1.763 1.00 15.00 H new ATOM 0 HD2 PRO A 265 13.106 7.536 -3.574 1.00 15.00 H new ATOM 0 HD3 PRO A 265 13.358 8.944 -2.563 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -8.520 9.785 -5.176 1.00 15.00 N ATOM 574 CA SER B 206 -9.213 8.809 -4.309 1.00 15.00 C ATOM 575 C SER B 206 -8.300 8.361 -3.171 1.00 15.00 C ATOM 576 O SER B 206 -7.163 7.947 -3.406 1.00 15.00 O ATOM 577 CB SER B 206 -9.647 7.598 -5.137 1.00 15.00 C ATOM 578 OG SER B 206 -10.494 7.988 -6.207 1.00 15.00 O ATOM 0 HA SER B 206 -10.094 9.286 -3.879 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.768 7.090 -5.532 1.00 15.00 H new ATOM 0 HB3 SER B 206 -10.168 6.885 -4.498 1.00 15.00 H new ATOM 0 HG SER B 206 -10.287 8.910 -6.469 1.00 15.00 H new ATOM 586 N PRO B 207 -8.785 8.433 -1.921 1.00 15.00 N ATOM 587 CA PRO B 207 -8.033 7.958 -0.756 1.00 15.00 C ATOM 588 C PRO B 207 -7.838 6.446 -0.812 1.00 15.00 C ATOM 589 O PRO B 207 -8.760 5.711 -1.177 1.00 15.00 O ATOM 590 CB PRO B 207 -8.920 8.347 0.433 1.00 15.00 C ATOM 591 CG PRO B 207 -10.290 8.485 -0.135 1.00 15.00 C ATOM 592 CD PRO B 207 -10.107 8.967 -1.546 1.00 15.00 C ATOM 0 HA PRO B 207 -7.033 8.387 -0.698 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -8.891 7.586 1.212 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.585 9.280 0.886 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.819 7.532 -0.114 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.883 9.192 0.445 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.892 8.593 -2.203 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.132 10.055 -1.605 1.00 15.00 H new ATOM 600 N PRO B 208 -6.645 5.957 -0.446 1.00 15.00 N ATOM 601 CA PRO B 208 -6.332 4.534 -0.522 1.00 15.00 C ATOM 602 C PRO B 208 -7.155 3.731 0.480 1.00 15.00 C ATOM 603 O PRO B 208 -7.383 4.182 1.607 1.00 15.00 O ATOM 604 CB PRO B 208 -4.833 4.460 -0.192 1.00 15.00 C ATOM 605 CG PRO B 208 -4.340 5.869 -0.199 1.00 15.00 C ATOM 606 CD PRO B 208 -5.527 6.733 0.103 1.00 15.00 C ATOM 0 HA PRO B 208 -6.566 4.110 -1.499 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.670 3.994 0.780 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.301 3.857 -0.928 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.557 6.010 0.546 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.909 6.125 -1.167 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.641 6.904 1.174 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.445 7.712 -0.369 1.00 15.00 H new ATOM 614 N PRO B 209 -7.583 2.523 0.081 1.00 15.00 N ATOM 615 CA PRO B 209 -8.476 1.668 0.872 1.00 15.00 C ATOM 616 C PRO B 209 -8.028 1.507 2.321 1.00 15.00 C ATOM 617 O PRO B 209 -6.830 1.403 2.608 1.00 15.00 O ATOM 618 CB PRO B 209 -8.419 0.313 0.147 1.00 15.00 C ATOM 619 CG PRO B 209 -7.324 0.434 -0.860 1.00 15.00 C ATOM 620 CD PRO B 209 -7.236 1.890 -1.193 1.00 15.00 C ATOM 0 HA PRO B 209 -9.476 2.098 0.936 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.217 -0.497 0.848 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.370 0.088 -0.335 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.380 0.067 -0.457 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.543 -0.158 -1.749 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.238 2.171 -1.528 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.929 2.168 -1.987 1.00 15.00 H new ATOM 628 N PRO B 210 -9.001 1.477 3.248 1.00 15.00 N ATOM 629 CA PRO B 210 -8.746 1.343 4.683 1.00 15.00 C ATOM 630 C PRO B 210 -7.795 0.196 5.007 1.00 15.00 C ATOM 631 O PRO B 210 -7.970 -0.928 4.537 1.00 15.00 O ATOM 632 CB PRO B 210 -10.131 1.060 5.264 1.00 15.00 C ATOM 633 CG PRO B 210 -11.078 1.698 4.313 1.00 15.00 C ATOM 634 CD PRO B 210 -10.446 1.570 2.953 1.00 15.00 C ATOM 0 HA PRO B 210 -8.266 2.232 5.091 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.314 -0.011 5.346 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.233 1.479 6.265 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.050 1.205 4.340 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.244 2.744 4.570 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.805 0.686 2.426 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.672 2.431 2.323 1.00 15.00 H new ATOM 642 N TYR B 211 -6.800 0.493 5.831 1.00 15.00 N ATOM 643 CA TYR B 211 -5.801 -0.489 6.246 1.00 15.00 C ATOM 644 C TYR B 211 -6.431 -1.606 7.094 1.00 15.00 C ATOM 645 O TYR B 211 -5.791 -2.618 7.392 1.00 15.00 O ATOM 646 CB TYR B 211 -4.681 0.234 7.005 1.00 15.00 C ATOM 647 CG TYR B 211 -3.663 -0.670 7.660 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.900 -1.566 6.921 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.465 -0.615 9.029 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.972 -2.382 7.535 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.539 -1.421 9.653 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.792 -2.304 8.902 1.00 15.00 C ATOM 653 OH TYR B 211 -0.874 -3.121 9.516 1.00 15.00 O ATOM 0 H TYR B 211 -6.660 1.420 6.232 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.380 -0.972 5.364 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -4.163 0.897 6.312 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -5.131 0.864 7.772 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.035 -1.625 5.851 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.049 0.075 9.620 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.390 -3.078 6.950 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.399 -1.362 10.722 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.869 -2.941 10.479 1.00 15.00 H new ATOM 663 N SER B 212 -7.682 -1.411 7.485 1.00 15.00 N ATOM 664 CA SER B 212 -8.405 -2.396 8.273 1.00 15.00 C ATOM 665 C SER B 212 -8.518 -3.730 7.530 1.00 15.00 C ATOM 666 O SER B 212 -8.192 -4.782 8.083 1.00 15.00 O ATOM 667 CB SER B 212 -9.790 -1.862 8.621 1.00 15.00 C ATOM 668 OG SER B 212 -9.696 -0.591 9.246 1.00 15.00 O ATOM 0 H SER B 212 -8.220 -0.572 7.267 1.00 15.00 H new ATOM 0 HA SER B 212 -7.847 -2.576 9.192 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.393 -1.784 7.716 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.299 -2.562 9.284 1.00 15.00 H new ATOM 0 HG SER B 212 -10.595 -0.264 9.460 1.00 15.00 H new ATOM 674 N ARG B 213 -8.988 -3.696 6.288 1.00 15.00 N ATOM 675 CA ARG B 213 -9.073 -4.909 5.490 1.00 15.00 C ATOM 676 C ARG B 213 -8.915 -4.602 4.005 1.00 15.00 C ATOM 677 O ARG B 213 -9.034 -3.455 3.580 1.00 15.00 O ATOM 678 CB ARG B 213 -10.378 -5.655 5.733 1.00 15.00 C ATOM 679 CG ARG B 213 -10.262 -7.133 5.403 1.00 15.00 C ATOM 680 CD ARG B 213 -9.673 -7.930 6.557 1.00 15.00 C ATOM 681 NE ARG B 213 -10.385 -7.702 7.813 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.978 -8.660 8.520 1.00 15.00 C ATOM 683 NH1 ARG B 213 -11.096 -9.890 8.026 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.496 -8.372 9.706 1.00 15.00 N ATOM 0 H ARG B 213 -9.312 -2.851 5.818 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.252 -5.553 5.804 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.672 -5.539 6.776 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.168 -5.210 5.128 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.247 -7.528 5.156 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.637 -7.259 4.519 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.702 -8.992 6.314 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.624 -7.661 6.683 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.430 -6.748 8.170 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -10.730 -10.104 7.098 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -11.552 -10.619 8.575 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.438 -7.421 10.070 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.952 -9.101 10.254 1.00 15.00 H new ATOM 698 N TYR B 214 -8.673 -5.646 3.221 1.00 15.00 N ATOM 699 CA TYR B 214 -8.294 -5.498 1.825 1.00 15.00 C ATOM 700 C TYR B 214 -9.528 -5.481 0.938 1.00 15.00 C ATOM 701 O TYR B 214 -10.389 -6.357 1.042 1.00 15.00 O ATOM 702 CB TYR B 214 -7.375 -6.655 1.395 1.00 15.00 C ATOM 703 CG TYR B 214 -6.303 -7.014 2.408 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.980 -6.151 3.442 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.636 -8.229 2.341 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.036 -6.478 4.378 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.675 -8.564 3.276 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.380 -7.685 4.294 1.00 15.00 C ATOM 709 OH TYR B 214 -3.434 -8.015 5.235 1.00 15.00 O ATOM 0 H TYR B 214 -8.734 -6.614 3.535 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.761 -4.553 1.716 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.987 -7.537 1.203 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.894 -6.390 0.453 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.484 -5.198 3.511 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.871 -8.922 1.547 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.807 -5.791 5.179 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.158 -9.510 3.209 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.066 -8.901 5.033 1.00 15.00 H new ATOM 719 N PRO B 215 -9.627 -4.480 0.055 1.00 15.00 N ATOM 720 CA PRO B 215 -10.734 -4.367 -0.892 1.00 15.00 C ATOM 721 C PRO B 215 -10.709 -5.480 -1.937 1.00 15.00 C ATOM 722 O PRO B 215 -9.860 -5.492 -2.832 1.00 15.00 O ATOM 723 CB PRO B 215 -10.507 -3.005 -1.550 1.00 15.00 C ATOM 724 CG PRO B 215 -9.047 -2.756 -1.396 1.00 15.00 C ATOM 725 CD PRO B 215 -8.668 -3.373 -0.084 1.00 15.00 C ATOM 0 HA PRO B 215 -11.703 -4.455 -0.402 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.799 -3.018 -2.600 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.096 -2.227 -1.065 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.485 -3.203 -2.216 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.829 -1.688 -1.404 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.638 -3.730 -0.089 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.754 -2.660 0.736 1.00 15.00 H new ATOM 733 N MET B 216 -11.612 -6.434 -1.792 1.00 15.00 N ATOM 734 CA MET B 216 -11.712 -7.543 -2.730 1.00 15.00 C ATOM 735 C MET B 216 -12.900 -7.318 -3.659 1.00 15.00 C ATOM 736 O MET B 216 -13.123 -8.061 -4.614 1.00 15.00 O ATOM 737 CB MET B 216 -11.857 -8.863 -1.965 1.00 15.00 C ATOM 738 CG MET B 216 -11.755 -10.105 -2.839 1.00 15.00 C ATOM 739 SD MET B 216 -11.832 -11.632 -1.884 1.00 15.00 S ATOM 740 CE MET B 216 -10.397 -11.440 -0.828 1.00 15.00 C ATOM 0 H MET B 216 -12.290 -6.464 -1.031 1.00 15.00 H new ATOM 0 HA MET B 216 -10.805 -7.597 -3.332 1.00 15.00 H new ATOM 0 HB2 MET B 216 -11.087 -8.910 -1.195 1.00 15.00 H new ATOM 0 HB3 MET B 216 -12.820 -8.870 -1.454 1.00 15.00 H new ATOM 0 HG2 MET B 216 -12.563 -10.097 -3.571 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.819 -10.076 -3.397 1.00 15.00 H new ATOM 0 HE1 MET B 216 -10.118 -12.409 -0.414 1.00 15.00 H new ATOM 0 HE2 MET B 216 -9.567 -11.041 -1.411 1.00 15.00 H new ATOM 0 HE3 MET B 216 -10.633 -10.753 -0.015 1.00 15.00 H new ATOM 750 N ASP B 217 -13.657 -6.276 -3.359 1.00 15.00 N ATOM 751 CA ASP B 217 -14.812 -5.895 -4.156 1.00 15.00 C ATOM 752 C ASP B 217 -14.540 -4.581 -4.872 1.00 15.00 C ATOM 753 O ASP B 217 -14.374 -4.594 -6.112 1.00 15.00 O ATOM 754 CB ASP B 217 -16.047 -5.764 -3.260 1.00 15.00 C ATOM 755 CG ASP B 217 -17.260 -5.225 -3.993 1.00 15.00 C ATOM 756 OD1 ASP B 217 -17.807 -5.938 -4.859 1.00 15.00 O1- ATOM 757 OD2 ASP B 217 -17.680 -4.083 -3.696 1.00 15.00 O ATOM 758 OXT ASP B 217 -14.456 -3.542 -4.185 1.00 15.00 O ATOM 0 H ASP B 217 -13.489 -5.670 -2.556 1.00 15.00 H new ATOM 0 HA ASP B 217 -14.999 -6.668 -4.901 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -16.288 -6.740 -2.839 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -15.813 -5.105 -2.423 1.00 15.00 H new TER 763 ASP B 217