USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=13 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 :FLIP no HD1:sc= 0.367 F(o=-0.77,f=0.015) USER MOD Set 1.2: B 211 TYR OH : rot -22:sc= -0.352 USER MOD Set 2.1: A 250 ASN : amide:sc= 0.365 K(o=0.36,f=-11!) USER MOD Set 2.2: A 253 ASN :FLIP amide:sc= 0 F(o=-0.4,f=0.36) USER MOD Set 3.1: A 238 GLN :FLIP amide:sc= -1.2 F(o=-2.1!,f=-1.2) USER MOD Set 3.2: A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 58:sc= 0.00186 USER MOD Single : A 242 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.075) USER MOD Single : A 247 TYR OH : rot 165:sc= -2.06! USER MOD Single : A 248 TYR OH : rot -15:sc= -0.974 USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 SER OG : rot 158:sc= 0.45 USER MOD Single : B 206 SER OG : rot 35:sc= 0.188 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.242 -0.719 -6.439 1.00 15.00 N ATOM 2 CA GLY A 230 11.551 -1.164 -5.905 1.00 15.00 C ATOM 3 C GLY A 230 11.413 -1.818 -4.547 1.00 15.00 C ATOM 4 O GLY A 230 10.327 -2.266 -4.186 1.00 15.00 O ATOM 0 HA2 GLY A 230 12.007 -1.867 -6.602 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.222 -0.309 -5.830 1.00 15.00 H new ATOM 10 N PRO A 231 12.507 -1.923 -3.781 1.00 15.00 N ATOM 11 CA PRO A 231 12.467 -2.419 -2.409 1.00 15.00 C ATOM 12 C PRO A 231 11.962 -1.343 -1.452 1.00 15.00 C ATOM 13 O PRO A 231 12.592 -0.294 -1.296 1.00 15.00 O ATOM 14 CB PRO A 231 13.929 -2.783 -2.098 1.00 15.00 C ATOM 15 CG PRO A 231 14.687 -2.556 -3.371 1.00 15.00 C ATOM 16 CD PRO A 231 13.873 -1.592 -4.185 1.00 15.00 C ATOM 0 HA PRO A 231 11.790 -3.265 -2.293 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.323 -2.163 -1.293 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.013 -3.820 -1.773 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.678 -2.150 -3.166 1.00 15.00 H new ATOM 0 HG3 PRO A 231 14.831 -3.493 -3.909 1.00 15.00 H new ATOM 0 HD2 PRO A 231 14.124 -0.556 -3.960 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.026 -1.732 -5.255 1.00 15.00 H new ATOM 24 N LEU A 232 10.818 -1.594 -0.840 1.00 15.00 N ATOM 25 CA LEU A 232 10.186 -0.611 0.030 1.00 15.00 C ATOM 26 C LEU A 232 10.864 -0.551 1.397 1.00 15.00 C ATOM 27 O LEU A 232 11.541 -1.497 1.796 1.00 15.00 O ATOM 28 CB LEU A 232 8.681 -0.856 0.214 1.00 15.00 C ATOM 29 CG LEU A 232 7.783 -0.428 -0.947 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.913 1.044 -1.266 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.059 -1.241 -2.191 1.00 15.00 C ATOM 0 H LEU A 232 10.305 -2.471 -0.928 1.00 15.00 H new ATOM 0 HA LEU A 232 10.309 0.348 -0.474 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.526 -1.920 0.393 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.355 -0.331 1.112 1.00 15.00 H new ATOM 0 HG LEU A 232 6.760 -0.614 -0.619 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.255 1.296 -2.097 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.634 1.632 -0.392 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.944 1.267 -1.539 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.403 -0.909 -2.995 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.098 -1.105 -2.491 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.876 -2.295 -1.985 1.00 15.00 H new ATOM 43 N PRO A 233 10.660 0.556 2.149 1.00 15.00 N ATOM 44 CA PRO A 233 11.313 0.807 3.457 1.00 15.00 C ATOM 45 C PRO A 233 11.018 -0.260 4.522 1.00 15.00 C ATOM 46 O PRO A 233 11.572 -0.203 5.619 1.00 15.00 O ATOM 47 CB PRO A 233 10.687 2.145 3.870 1.00 15.00 C ATOM 48 CG PRO A 233 10.414 2.801 2.574 1.00 15.00 C ATOM 49 CD PRO A 233 9.783 1.703 1.798 1.00 15.00 C ATOM 0 HA PRO A 233 12.400 0.798 3.373 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.775 2.002 4.449 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.366 2.735 4.485 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.749 3.658 2.683 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.326 3.163 2.100 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.747 1.534 2.093 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.780 1.906 0.727 1.00 15.00 H new ATOM 57 N ASP A 234 10.078 -1.160 4.209 1.00 15.00 N ATOM 58 CA ASP A 234 9.676 -2.277 5.089 1.00 15.00 C ATOM 59 C ASP A 234 8.595 -1.849 6.061 1.00 15.00 C ATOM 60 O ASP A 234 8.224 -2.598 6.964 1.00 15.00 O ATOM 61 CB ASP A 234 10.859 -2.880 5.871 1.00 15.00 C ATOM 62 CG ASP A 234 11.710 -3.820 5.044 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.264 -4.962 4.785 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 12.836 -3.433 4.669 1.00 15.00 O ATOM 0 H ASP A 234 9.565 -1.137 3.327 1.00 15.00 H new ATOM 0 HA ASP A 234 9.286 -3.050 4.427 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.485 -2.072 6.248 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.475 -3.417 6.738 1.00 15.00 H new ATOM 69 N GLY A 235 8.061 -0.660 5.842 1.00 15.00 N ATOM 70 CA GLY A 235 6.918 -0.217 6.609 1.00 15.00 C ATOM 71 C GLY A 235 5.621 -0.605 5.934 1.00 15.00 C ATOM 72 O GLY A 235 4.593 -0.776 6.585 1.00 15.00 O ATOM 0 H GLY A 235 8.398 0.007 5.147 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.956 -0.653 7.607 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.957 0.865 6.732 1.00 15.00 H new ATOM 76 N TRP A 236 5.689 -0.786 4.622 1.00 15.00 N ATOM 77 CA TRP A 236 4.509 -1.036 3.810 1.00 15.00 C ATOM 78 C TRP A 236 4.725 -2.039 2.697 1.00 15.00 C ATOM 79 O TRP A 236 5.810 -2.157 2.129 1.00 15.00 O ATOM 80 CB TRP A 236 3.914 0.268 3.272 1.00 15.00 C ATOM 81 CG TRP A 236 4.882 1.397 3.049 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.215 1.360 2.724 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.549 2.773 3.189 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.713 2.640 2.675 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.706 3.522 2.956 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.367 3.439 3.499 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.718 4.912 3.030 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.373 4.815 3.567 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.545 5.541 3.337 1.00 15.00 C ATOM 0 H TRP A 236 6.561 -0.764 4.093 1.00 15.00 H new ATOM 0 HA TRP A 236 3.787 -1.497 4.484 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.415 0.053 2.327 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.146 0.607 3.968 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.785 0.462 2.536 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.678 2.892 2.463 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.458 2.885 3.684 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.623 5.473 2.851 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.459 5.340 3.801 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.523 6.619 3.403 1.00 15.00 H new ATOM 100 N GLU A 237 3.632 -2.724 2.390 1.00 15.00 N ATOM 101 CA GLU A 237 3.621 -3.850 1.482 1.00 15.00 C ATOM 102 C GLU A 237 2.546 -3.585 0.419 1.00 15.00 C ATOM 103 O GLU A 237 1.451 -3.124 0.755 1.00 15.00 O ATOM 104 CB GLU A 237 3.295 -5.100 2.311 1.00 15.00 C ATOM 105 CG GLU A 237 3.903 -6.388 1.796 1.00 15.00 C ATOM 106 CD GLU A 237 3.345 -6.839 0.471 1.00 15.00 C ATOM 107 OE1 GLU A 237 2.330 -7.564 0.476 1.00 15.00 O ATOM 108 OE2 GLU A 237 3.936 -6.492 -0.572 1.00 15.00 O1- ATOM 0 H GLU A 237 2.714 -2.504 2.775 1.00 15.00 H new ATOM 0 HA GLU A 237 4.578 -3.994 0.980 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.637 -4.938 3.333 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.212 -5.218 2.352 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.981 -6.257 1.700 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.743 -7.174 2.533 1.00 15.00 H new ATOM 115 N GLN A 238 2.845 -3.867 -0.843 1.00 15.00 N ATOM 116 CA GLN A 238 1.948 -3.493 -1.936 1.00 15.00 C ATOM 117 C GLN A 238 0.976 -4.629 -2.294 1.00 15.00 C ATOM 118 O GLN A 238 1.403 -5.730 -2.637 1.00 15.00 O ATOM 119 CB GLN A 238 2.761 -3.047 -3.168 1.00 15.00 C ATOM 120 CG GLN A 238 1.965 -2.975 -4.462 1.00 15.00 C ATOM 121 CD GLN A 238 2.084 -4.240 -5.297 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.243 -4.884 -5.241 1.00 15.00 O flip ATOM 123 NE2 GLN A 238 1.151 -4.625 -6.000 1.00 15.00 N flip ATOM 0 H GLN A 238 3.694 -4.350 -1.137 1.00 15.00 H new ATOM 0 HA GLN A 238 1.342 -2.653 -1.597 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.191 -2.066 -2.967 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.593 -3.737 -3.307 1.00 15.00 H new ATOM 0 HG2 GLN A 238 0.915 -2.797 -4.228 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.310 -2.124 -5.049 1.00 15.00 H new ATOM 0 HE21 GLN A 238 0.275 -4.102 -6.016 1.00 15.00 H new ATOM 0 HE22 GLN A 238 1.253 -5.467 -6.567 1.00 15.00 H new ATOM 132 N ALA A 239 -0.331 -4.358 -2.221 1.00 15.00 N ATOM 133 CA ALA A 239 -1.343 -5.321 -2.624 1.00 15.00 C ATOM 134 C ALA A 239 -2.164 -4.747 -3.774 1.00 15.00 C ATOM 135 O ALA A 239 -2.313 -3.530 -3.890 1.00 15.00 O ATOM 136 CB ALA A 239 -2.236 -5.680 -1.446 1.00 15.00 C ATOM 0 H ALA A 239 -0.708 -3.472 -1.883 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.854 -6.235 -2.963 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.988 -6.402 -1.766 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.631 -6.115 -0.650 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.730 -4.781 -1.077 1.00 15.00 H new ATOM 142 N MET A 240 -2.672 -5.613 -4.637 1.00 15.00 N ATOM 143 CA MET A 240 -3.430 -5.169 -5.802 1.00 15.00 C ATOM 144 C MET A 240 -4.929 -5.217 -5.521 1.00 15.00 C ATOM 145 O MET A 240 -5.445 -6.234 -5.060 1.00 15.00 O ATOM 146 CB MET A 240 -3.106 -6.049 -7.014 1.00 15.00 C ATOM 147 CG MET A 240 -1.629 -6.086 -7.367 1.00 15.00 C ATOM 148 SD MET A 240 -1.292 -7.027 -8.869 1.00 15.00 S ATOM 149 CE MET A 240 0.496 -6.925 -8.930 1.00 15.00 C ATOM 0 H MET A 240 -2.575 -6.625 -4.555 1.00 15.00 H new ATOM 0 HA MET A 240 -3.145 -4.139 -6.019 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.448 -7.065 -6.816 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.667 -5.686 -7.875 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.265 -5.066 -7.493 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.073 -6.523 -6.538 1.00 15.00 H new ATOM 0 HE1 MET A 240 0.861 -7.461 -9.806 1.00 15.00 H new ATOM 0 HE2 MET A 240 0.799 -5.880 -8.991 1.00 15.00 H new ATOM 0 HE3 MET A 240 0.917 -7.373 -8.030 1.00 15.00 H new ATOM 159 N THR A 241 -5.625 -4.123 -5.805 1.00 15.00 N ATOM 160 CA THR A 241 -7.069 -4.097 -5.655 1.00 15.00 C ATOM 161 C THR A 241 -7.740 -4.264 -7.022 1.00 15.00 C ATOM 162 O THR A 241 -7.196 -3.836 -8.053 1.00 15.00 O ATOM 163 CB THR A 241 -7.570 -2.814 -4.949 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.947 -2.965 -4.587 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.416 -1.585 -5.834 1.00 15.00 C ATOM 0 H THR A 241 -5.214 -3.250 -6.138 1.00 15.00 H new ATOM 0 HA THR A 241 -7.346 -4.933 -5.013 1.00 15.00 H new ATOM 0 HB THR A 241 -6.960 -2.670 -4.057 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.047 -3.743 -4.000 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.779 -0.706 -5.302 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.365 -1.448 -6.087 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.994 -1.720 -6.748 1.00 15.00 H new ATOM 173 N GLN A 242 -8.932 -4.863 -7.007 1.00 15.00 N ATOM 174 CA GLN A 242 -9.600 -5.354 -8.216 1.00 15.00 C ATOM 175 C GLN A 242 -9.964 -4.235 -9.198 1.00 15.00 C ATOM 176 O GLN A 242 -10.319 -4.501 -10.349 1.00 15.00 O ATOM 177 CB GLN A 242 -10.856 -6.138 -7.818 1.00 15.00 C ATOM 178 CG GLN A 242 -11.536 -6.851 -8.976 1.00 15.00 C ATOM 179 CD GLN A 242 -12.776 -7.618 -8.557 1.00 15.00 C ATOM 180 OE1 GLN A 242 -13.113 -8.641 -9.152 1.00 15.00 O ATOM 181 NE2 GLN A 242 -13.482 -7.122 -7.554 1.00 15.00 N ATOM 0 H GLN A 242 -9.465 -5.022 -6.152 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.895 -6.003 -8.736 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.587 -6.874 -7.060 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.568 -5.453 -7.359 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.809 -6.119 -9.736 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.828 -7.540 -9.437 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -13.172 -6.272 -7.084 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -14.336 -7.590 -7.251 1.00 15.00 H new ATOM 190 N ASP A 243 -9.884 -2.987 -8.760 1.00 15.00 N ATOM 191 CA ASP A 243 -10.214 -1.868 -9.638 1.00 15.00 C ATOM 192 C ASP A 243 -9.024 -1.517 -10.534 1.00 15.00 C ATOM 193 O ASP A 243 -9.104 -0.624 -11.379 1.00 15.00 O ATOM 194 CB ASP A 243 -10.658 -0.646 -8.832 1.00 15.00 C ATOM 195 CG ASP A 243 -11.415 0.359 -9.683 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.476 -0.006 -10.235 1.00 15.00 O ATOM 197 OD2 ASP A 243 -10.964 1.518 -9.794 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.598 -2.723 -7.817 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.047 -2.174 -10.272 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.291 -0.969 -8.005 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.784 -0.164 -8.395 1.00 15.00 H new ATOM 202 N GLY A 244 -7.922 -2.236 -10.347 1.00 15.00 N ATOM 203 CA GLY A 244 -6.765 -2.066 -11.208 1.00 15.00 C ATOM 204 C GLY A 244 -5.739 -1.105 -10.644 1.00 15.00 C ATOM 205 O GLY A 244 -5.040 -0.428 -11.398 1.00 15.00 O ATOM 0 H GLY A 244 -7.809 -2.935 -9.613 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.295 -3.036 -11.370 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.095 -1.705 -12.182 1.00 15.00 H new ATOM 209 N GLU A 245 -5.632 -1.054 -9.324 1.00 15.00 N ATOM 210 CA GLU A 245 -4.670 -0.169 -8.671 1.00 15.00 C ATOM 211 C GLU A 245 -3.991 -0.891 -7.517 1.00 15.00 C ATOM 212 O GLU A 245 -4.587 -1.761 -6.885 1.00 15.00 O ATOM 213 CB GLU A 245 -5.347 1.116 -8.165 1.00 15.00 C ATOM 214 CG GLU A 245 -5.816 2.051 -9.274 1.00 15.00 C ATOM 215 CD GLU A 245 -6.208 3.426 -8.767 1.00 15.00 C ATOM 216 OE1 GLU A 245 -5.323 4.305 -8.691 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -7.398 3.641 -8.462 1.00 15.00 O ATOM 0 H GLU A 245 -6.196 -1.612 -8.683 1.00 15.00 H new ATOM 0 HA GLU A 245 -3.919 0.113 -9.409 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.203 0.844 -7.548 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.649 1.653 -7.523 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.022 2.156 -10.013 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.668 1.602 -9.784 1.00 15.00 H new ATOM 224 N ILE A 246 -2.748 -0.531 -7.239 1.00 15.00 N ATOM 225 CA ILE A 246 -1.997 -1.164 -6.166 1.00 15.00 C ATOM 226 C ILE A 246 -1.842 -0.207 -4.986 1.00 15.00 C ATOM 227 O ILE A 246 -1.672 0.996 -5.179 1.00 15.00 O ATOM 228 CB ILE A 246 -0.612 -1.640 -6.657 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.215 -0.467 -7.196 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.779 -2.708 -7.729 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.582 -0.873 -7.713 1.00 15.00 C ATOM 0 H ILE A 246 -2.238 0.196 -7.741 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.557 -2.040 -5.837 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.076 -2.067 -5.810 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.339 0.018 -8.000 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.340 0.272 -6.405 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.202 -3.038 -8.070 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.324 -3.557 -7.315 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.335 -2.295 -8.571 1.00 15.00 H new ATOM 0 HD11 ILE A 246 2.109 0.008 -8.078 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.155 -1.331 -6.906 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.465 -1.589 -8.527 1.00 15.00 H new ATOM 243 N TYR A 247 -1.915 -0.736 -3.769 1.00 15.00 N ATOM 244 CA TYR A 247 -1.875 0.098 -2.574 1.00 15.00 C ATOM 245 C TYR A 247 -0.923 -0.483 -1.521 1.00 15.00 C ATOM 246 O TYR A 247 -0.788 -1.702 -1.398 1.00 15.00 O ATOM 247 CB TYR A 247 -3.289 0.257 -1.991 1.00 15.00 C ATOM 248 CG TYR A 247 -3.941 -1.041 -1.556 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.510 -1.902 -2.485 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.986 -1.402 -0.214 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.106 -3.083 -2.093 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.579 -2.587 0.188 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.135 -3.422 -0.756 1.00 15.00 C ATOM 254 OH TYR A 247 -5.723 -4.597 -0.359 1.00 15.00 O ATOM 0 H TYR A 247 -2.002 -1.735 -3.585 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.497 1.080 -2.859 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.241 0.929 -1.134 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.924 0.735 -2.737 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.486 -1.643 -3.533 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.551 -0.747 0.527 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.548 -3.739 -2.829 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.605 -2.855 1.234 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.456 -4.802 0.561 1.00 15.00 H new ATOM 264 N TYR A 248 -0.294 0.396 -0.748 1.00 15.00 N ATOM 265 CA TYR A 248 0.657 0.005 0.280 1.00 15.00 C ATOM 266 C TYR A 248 0.038 0.079 1.663 1.00 15.00 C ATOM 267 O TYR A 248 -0.367 1.151 2.120 1.00 15.00 O ATOM 268 CB TYR A 248 1.896 0.901 0.229 1.00 15.00 C ATOM 269 CG TYR A 248 2.836 0.533 -0.883 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.627 0.992 -2.175 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.918 -0.295 -0.647 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.471 0.629 -3.204 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.765 -0.655 -1.667 1.00 15.00 C ATOM 274 CZ TYR A 248 4.538 -0.196 -2.946 1.00 15.00 C ATOM 275 OH TYR A 248 5.378 -0.570 -3.970 1.00 15.00 O ATOM 0 H TYR A 248 -0.432 1.404 -0.819 1.00 15.00 H new ATOM 0 HA TYR A 248 0.945 -1.028 0.084 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.584 1.938 0.106 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.424 0.838 1.181 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.790 1.644 -2.379 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.100 -0.663 0.352 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.294 0.991 -4.206 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.609 -1.298 -1.466 1.00 15.00 H new ATOM 0 HH TYR A 248 4.953 -0.372 -4.831 1.00 15.00 H new ATOM 285 N ILE A 249 -0.036 -1.064 2.323 1.00 15.00 N ATOM 286 CA ILE A 249 -0.494 -1.122 3.695 1.00 15.00 C ATOM 287 C ILE A 249 0.691 -0.963 4.645 1.00 15.00 C ATOM 288 O ILE A 249 1.559 -1.835 4.731 1.00 15.00 O ATOM 289 CB ILE A 249 -1.232 -2.452 3.979 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.375 -3.653 3.558 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.569 -2.478 3.254 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.049 -4.991 3.774 1.00 15.00 C ATOM 0 H ILE A 249 0.218 -1.968 1.925 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.197 -0.305 3.857 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.412 -2.521 5.052 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.118 -3.552 2.503 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.560 -3.634 4.117 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.078 -3.419 3.462 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.186 -1.648 3.599 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.403 -2.385 2.181 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.382 -5.791 3.453 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.281 -5.115 4.832 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.970 -5.032 3.193 1.00 15.00 H new ATOM 304 N ASN A 250 0.754 0.165 5.335 1.00 15.00 N ATOM 305 CA ASN A 250 1.862 0.416 6.244 1.00 15.00 C ATOM 306 C ASN A 250 1.513 -0.112 7.647 1.00 15.00 C ATOM 307 O ASN A 250 0.767 0.542 8.379 1.00 15.00 O ATOM 308 CB ASN A 250 2.207 1.914 6.284 1.00 15.00 C ATOM 309 CG ASN A 250 3.453 2.223 7.099 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.715 1.612 8.132 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.240 3.174 6.628 1.00 15.00 N ATOM 0 H ASN A 250 0.061 0.912 5.285 1.00 15.00 H new ATOM 0 HA ASN A 250 2.744 -0.113 5.883 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.349 2.274 5.265 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.363 2.463 6.701 1.00 15.00 H new ATOM 0 HD21 ASN A 250 5.096 3.421 7.125 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.992 3.661 5.767 1.00 15.00 H new ATOM 318 N HIS A 251 2.010 -1.314 8.008 1.00 15.00 N ATOM 319 CA HIS A 251 1.697 -1.925 9.298 1.00 15.00 C ATOM 320 C HIS A 251 2.356 -1.181 10.449 1.00 15.00 C ATOM 321 O HIS A 251 1.962 -1.341 11.601 1.00 15.00 O ATOM 322 CB HIS A 251 2.145 -3.393 9.330 1.00 15.00 C ATOM 323 CG HIS A 251 1.237 -4.339 8.596 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.087 -4.935 8.985 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 1.491 -4.800 7.320 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 -0.330 -5.731 7.952 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 0.533 -5.637 6.960 1.00 15.00 N flip ATOM 0 H HIS A 251 2.628 -1.872 7.419 1.00 15.00 H new ATOM 0 HA HIS A 251 0.615 -1.869 9.419 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.145 -3.464 8.902 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.220 -3.714 10.369 1.00 15.00 H new ATOM 0 HD2 HIS A 251 2.339 -4.521 6.712 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -1.223 -6.339 7.950 1.00 15.00 H new ATOM 0 HE2 HIS A 251 0.472 -6.126 6.067 1.00 15.00 H new ATOM 336 N LYS A 252 3.362 -0.377 10.139 1.00 15.00 N ATOM 337 CA LYS A 252 4.123 0.316 11.167 1.00 15.00 C ATOM 338 C LYS A 252 3.399 1.584 11.619 1.00 15.00 C ATOM 339 O LYS A 252 3.624 2.074 12.729 1.00 15.00 O ATOM 340 CB LYS A 252 5.521 0.677 10.646 1.00 15.00 C ATOM 341 CG LYS A 252 6.263 -0.480 9.980 1.00 15.00 C ATOM 342 CD LYS A 252 7.096 -1.299 10.962 1.00 15.00 C ATOM 343 CE LYS A 252 6.245 -2.037 11.984 1.00 15.00 C ATOM 344 NZ LYS A 252 7.059 -2.987 12.785 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.670 -0.189 9.185 1.00 15.00 H new ATOM 0 HA LYS A 252 4.221 -0.354 12.021 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.429 1.494 9.930 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.121 1.047 11.477 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.541 -1.134 9.491 1.00 15.00 H new ATOM 0 HG3 LYS A 252 6.915 -0.086 9.200 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.697 -2.020 10.408 1.00 15.00 H new ATOM 0 HD3 LYS A 252 7.789 -0.638 11.482 1.00 15.00 H new ATOM 0 HE2 LYS A 252 5.766 -1.317 12.648 1.00 15.00 H new ATOM 0 HE3 LYS A 252 5.449 -2.579 11.473 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 6.449 -3.474 13.472 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 7.496 -3.688 12.153 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 7.803 -2.466 13.291 1.00 15.00 H new ATOM 358 N ASN A 253 2.553 2.133 10.748 1.00 15.00 N ATOM 359 CA ASN A 253 1.866 3.389 11.046 1.00 15.00 C ATOM 360 C ASN A 253 0.342 3.275 10.943 1.00 15.00 C ATOM 361 O ASN A 253 -0.364 4.225 11.291 1.00 15.00 O ATOM 362 CB ASN A 253 2.347 4.498 10.106 1.00 15.00 C ATOM 363 CG ASN A 253 3.798 4.876 10.333 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.703 4.199 9.646 1.00 15.00 O flip ATOM 365 ND2 ASN A 253 4.102 5.774 11.119 1.00 15.00 N flip ATOM 0 H ASN A 253 2.328 1.732 9.838 1.00 15.00 H new ATOM 0 HA ASN A 253 2.112 3.633 12.079 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.219 4.173 9.073 1.00 15.00 H new ATOM 0 HB3 ASN A 253 1.721 5.380 10.243 1.00 15.00 H new ATOM 0 HD21 ASN A 253 3.374 6.273 11.630 1.00 15.00 H new ATOM 0 HD22 ASN A 253 5.082 6.019 11.259 1.00 15.00 H new ATOM 372 N LYS A 254 -0.161 2.131 10.462 1.00 15.00 N ATOM 373 CA LYS A 254 -1.602 1.936 10.258 1.00 15.00 C ATOM 374 C LYS A 254 -2.101 2.874 9.149 1.00 15.00 C ATOM 375 O LYS A 254 -3.280 3.221 9.082 1.00 15.00 O ATOM 376 CB LYS A 254 -2.353 2.188 11.579 1.00 15.00 C ATOM 377 CG LYS A 254 -3.802 1.725 11.596 1.00 15.00 C ATOM 378 CD LYS A 254 -4.487 2.109 12.899 1.00 15.00 C ATOM 379 CE LYS A 254 -3.809 1.469 14.099 1.00 15.00 C ATOM 380 NZ LYS A 254 -4.371 1.964 15.384 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.410 1.325 10.206 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.793 0.909 9.947 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.818 1.686 12.385 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.326 3.256 11.796 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -4.338 2.168 10.756 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.843 0.644 11.466 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.476 3.193 13.010 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -5.532 1.802 12.865 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -3.924 0.386 14.046 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -2.740 1.678 14.066 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -3.882 1.503 16.177 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.239 2.994 15.447 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.386 1.742 15.427 1.00 15.00 H new ATOM 394 N THR A 255 -1.202 3.227 8.238 1.00 15.00 N ATOM 395 CA THR A 255 -1.500 4.217 7.206 1.00 15.00 C ATOM 396 C THR A 255 -1.492 3.576 5.808 1.00 15.00 C ATOM 397 O THR A 255 -0.740 2.629 5.569 1.00 15.00 O ATOM 398 CB THR A 255 -0.459 5.358 7.263 1.00 15.00 C ATOM 399 OG1 THR A 255 -0.320 5.817 8.614 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.846 6.533 6.376 1.00 15.00 C ATOM 0 H THR A 255 -0.258 2.842 8.192 1.00 15.00 H new ATOM 0 HA THR A 255 -2.496 4.619 7.393 1.00 15.00 H new ATOM 0 HB THR A 255 0.485 4.956 6.896 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.342 6.539 8.648 1.00 15.00 H new ATOM 0 HG21 THR A 255 -0.085 7.310 6.449 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.925 6.198 5.342 1.00 15.00 H new ATOM 0 HG23 THR A 255 -1.806 6.934 6.701 1.00 15.00 H new ATOM 408 N THR A 256 -2.334 4.068 4.892 1.00 15.00 N ATOM 409 CA THR A 256 -2.328 3.578 3.521 1.00 15.00 C ATOM 410 C THR A 256 -1.790 4.640 2.560 1.00 15.00 C ATOM 411 O THR A 256 -2.212 5.797 2.600 1.00 15.00 O ATOM 412 CB THR A 256 -3.743 3.170 3.058 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.471 2.586 4.147 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.658 2.165 1.917 1.00 15.00 C ATOM 0 H THR A 256 -3.020 4.799 5.079 1.00 15.00 H new ATOM 0 HA THR A 256 -1.678 2.703 3.505 1.00 15.00 H new ATOM 0 HB THR A 256 -4.261 4.065 2.713 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.367 2.332 3.843 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.664 1.887 1.601 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.125 2.612 1.078 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.125 1.276 2.254 1.00 15.00 H new ATOM 422 N SER A 257 -0.865 4.237 1.703 1.00 15.00 N ATOM 423 CA SER A 257 -0.331 5.110 0.662 1.00 15.00 C ATOM 424 C SER A 257 -0.378 4.381 -0.672 1.00 15.00 C ATOM 425 O SER A 257 -0.273 3.170 -0.704 1.00 15.00 O ATOM 426 CB SER A 257 1.100 5.525 1.000 1.00 15.00 C ATOM 427 OG SER A 257 1.127 6.317 2.174 1.00 15.00 O ATOM 0 H SER A 257 -0.463 3.300 1.707 1.00 15.00 H new ATOM 0 HA SER A 257 -0.937 6.014 0.598 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.718 4.638 1.139 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.528 6.084 0.168 1.00 15.00 H new ATOM 0 HG SER A 257 2.021 6.281 2.573 1.00 15.00 H new ATOM 433 N TRP A 258 -0.530 5.110 -1.766 1.00 15.00 N ATOM 434 CA TRP A 258 -0.728 4.483 -3.070 1.00 15.00 C ATOM 435 C TRP A 258 0.526 3.792 -3.610 1.00 15.00 C ATOM 436 O TRP A 258 0.570 2.570 -3.720 1.00 15.00 O ATOM 437 CB TRP A 258 -1.215 5.509 -4.091 1.00 15.00 C ATOM 438 CG TRP A 258 -2.697 5.698 -4.089 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.379 6.843 -3.802 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.684 4.706 -4.395 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.729 6.625 -3.919 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.942 5.321 -4.282 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.626 3.357 -4.755 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.131 4.634 -4.520 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -4.803 2.677 -4.990 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.041 3.316 -4.873 1.00 15.00 C ATOM 0 H TRP A 258 -0.521 6.130 -1.781 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.483 3.712 -2.917 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.735 6.466 -3.889 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.898 5.197 -5.086 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.924 7.782 -3.524 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.457 7.322 -3.761 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.674 2.855 -4.848 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.089 5.125 -4.429 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -4.768 1.634 -5.269 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -6.945 2.757 -5.065 1.00 15.00 H new ATOM 457 N LEU A 259 1.532 4.581 -3.947 1.00 15.00 N ATOM 458 CA LEU A 259 2.650 4.096 -4.751 1.00 15.00 C ATOM 459 C LEU A 259 3.997 4.212 -4.054 1.00 15.00 C ATOM 460 O LEU A 259 4.161 4.979 -3.106 1.00 15.00 O ATOM 461 CB LEU A 259 2.671 4.772 -6.119 1.00 15.00 C ATOM 462 CG LEU A 259 1.759 4.102 -7.145 1.00 15.00 C ATOM 463 CD1 LEU A 259 1.856 4.800 -8.492 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.114 2.622 -7.269 1.00 15.00 C ATOM 0 H LEU A 259 1.601 5.562 -3.678 1.00 15.00 H new ATOM 0 HA LEU A 259 2.483 3.028 -4.892 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.372 5.814 -6.005 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.693 4.773 -6.499 1.00 15.00 H new ATOM 0 HG LEU A 259 0.727 4.185 -6.804 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.198 4.305 -9.206 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.556 5.842 -8.384 1.00 15.00 H new ATOM 0 HD13 LEU A 259 2.884 4.753 -8.853 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.459 2.151 -8.002 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.151 2.522 -7.591 1.00 15.00 H new ATOM 0 HD23 LEU A 259 1.986 2.135 -6.302 1.00 15.00 H new ATOM 476 N ASP A 260 4.951 3.436 -4.568 1.00 15.00 N ATOM 477 CA ASP A 260 6.269 3.249 -3.965 1.00 15.00 C ATOM 478 C ASP A 260 6.997 4.585 -3.832 1.00 15.00 C ATOM 479 O ASP A 260 7.334 5.236 -4.824 1.00 15.00 O ATOM 480 CB ASP A 260 7.071 2.288 -4.863 1.00 15.00 C ATOM 481 CG ASP A 260 8.491 1.992 -4.399 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.111 2.844 -3.736 1.00 15.00 O ATOM 483 OD2 ASP A 260 9.004 0.900 -4.736 1.00 15.00 O1- ATOM 0 H ASP A 260 4.826 2.910 -5.433 1.00 15.00 H new ATOM 0 HA ASP A 260 6.164 2.831 -2.964 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.527 1.346 -4.935 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.115 2.709 -5.868 1.00 15.00 H new ATOM 488 N PRO A 261 7.205 5.015 -2.580 1.00 15.00 N ATOM 489 CA PRO A 261 7.839 6.291 -2.254 1.00 15.00 C ATOM 490 C PRO A 261 9.357 6.236 -2.353 1.00 15.00 C ATOM 491 O PRO A 261 10.034 7.264 -2.371 1.00 15.00 O ATOM 492 CB PRO A 261 7.404 6.514 -0.812 1.00 15.00 C ATOM 493 CG PRO A 261 7.323 5.142 -0.242 1.00 15.00 C ATOM 494 CD PRO A 261 6.830 4.268 -1.362 1.00 15.00 C ATOM 0 HA PRO A 261 7.549 7.086 -2.941 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.122 7.129 -0.270 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.443 7.025 -0.760 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.297 4.808 0.116 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.642 5.110 0.609 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.297 3.283 -1.337 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.753 4.112 -1.304 1.00 15.00 H new ATOM 502 N ARG A 262 9.880 5.024 -2.399 1.00 15.00 N ATOM 503 CA ARG A 262 11.308 4.793 -2.467 1.00 15.00 C ATOM 504 C ARG A 262 11.783 4.986 -3.910 1.00 15.00 C ATOM 505 O ARG A 262 12.980 5.023 -4.197 1.00 15.00 O ATOM 506 CB ARG A 262 11.630 3.400 -1.876 1.00 15.00 C ATOM 507 CG ARG A 262 13.093 2.975 -1.935 1.00 15.00 C ATOM 508 CD ARG A 262 13.447 2.306 -3.254 1.00 15.00 C ATOM 509 NE ARG A 262 14.843 1.878 -3.291 1.00 15.00 N ATOM 510 CZ ARG A 262 15.807 2.527 -3.941 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.554 3.700 -4.510 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 17.030 2.019 -3.993 1.00 15.00 N ATOM 0 H ARG A 262 9.322 4.170 -2.390 1.00 15.00 H new ATOM 0 HA ARG A 262 11.858 5.516 -1.864 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.309 3.385 -0.834 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.034 2.656 -2.404 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.729 3.849 -1.791 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.303 2.289 -1.114 1.00 15.00 H new ATOM 0 HD2 ARG A 262 12.799 1.443 -3.409 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.258 2.998 -4.074 1.00 15.00 H new ATOM 0 HE ARG A 262 15.095 1.028 -2.787 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.620 4.105 -4.450 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.294 4.196 -5.007 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.233 1.131 -3.535 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.768 2.516 -4.491 1.00 15.00 H new ATOM 526 N LEU A 263 10.823 5.109 -4.823 1.00 15.00 N ATOM 527 CA LEU A 263 11.123 5.452 -6.210 1.00 15.00 C ATOM 528 C LEU A 263 11.533 6.919 -6.345 1.00 15.00 C ATOM 529 O LEU A 263 12.109 7.316 -7.359 1.00 15.00 O ATOM 530 CB LEU A 263 9.919 5.185 -7.120 1.00 15.00 C ATOM 531 CG LEU A 263 9.471 3.727 -7.216 1.00 15.00 C ATOM 532 CD1 LEU A 263 8.293 3.598 -8.169 1.00 15.00 C ATOM 533 CD2 LEU A 263 10.621 2.842 -7.673 1.00 15.00 C ATOM 0 H LEU A 263 9.831 4.976 -4.627 1.00 15.00 H new ATOM 0 HA LEU A 263 11.955 4.819 -6.518 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.079 5.781 -6.764 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.159 5.539 -8.123 1.00 15.00 H new ATOM 0 HG LEU A 263 9.157 3.398 -6.226 1.00 15.00 H new ATOM 0 HD11 LEU A 263 7.985 2.554 -8.227 1.00 15.00 H new ATOM 0 HD12 LEU A 263 7.462 4.202 -7.804 1.00 15.00 H new ATOM 0 HD13 LEU A 263 8.587 3.945 -9.160 1.00 15.00 H new ATOM 0 HD21 LEU A 263 10.282 1.808 -7.735 1.00 15.00 H new ATOM 0 HD22 LEU A 263 10.965 3.170 -8.654 1.00 15.00 H new ATOM 0 HD23 LEU A 263 11.441 2.913 -6.958 1.00 15.00 H new ATOM 545 N ASP A 264 11.202 7.726 -5.337 1.00 15.00 N ATOM 546 CA ASP A 264 11.518 9.159 -5.369 1.00 15.00 C ATOM 547 C ASP A 264 13.029 9.455 -5.365 1.00 15.00 C ATOM 548 O ASP A 264 13.493 10.250 -6.182 1.00 15.00 O ATOM 549 CB ASP A 264 10.833 9.895 -4.211 1.00 15.00 C ATOM 550 CG ASP A 264 11.065 11.395 -4.254 1.00 15.00 C ATOM 551 OD1 ASP A 264 12.053 11.872 -3.658 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 10.243 12.107 -4.871 1.00 15.00 O ATOM 0 H ASP A 264 10.719 7.418 -4.493 1.00 15.00 H new ATOM 0 HA ASP A 264 11.129 9.529 -6.318 1.00 15.00 H new ATOM 0 HB2 ASP A 264 9.762 9.696 -4.242 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.204 9.501 -3.265 1.00 15.00 H new ATOM 557 N PRO A 265 13.816 8.865 -4.441 1.00 15.00 N ATOM 558 CA PRO A 265 15.277 9.012 -4.432 1.00 15.00 C ATOM 559 C PRO A 265 15.930 8.482 -5.708 1.00 15.00 C ATOM 560 O PRO A 265 16.563 9.282 -6.427 1.00 15.00 O ATOM 561 CB PRO A 265 15.732 8.191 -3.220 1.00 15.00 C ATOM 562 CG PRO A 265 14.579 7.311 -2.886 1.00 15.00 C ATOM 563 CD PRO A 265 13.351 8.065 -3.305 1.00 15.00 C ATOM 564 OXT PRO A 265 15.803 7.272 -5.992 1.00 15.00 O ATOM 0 HA PRO A 265 15.566 10.062 -4.378 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.620 7.604 -3.454 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.989 8.838 -2.381 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.650 6.358 -3.410 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.555 7.087 -1.820 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.544 7.391 -3.592 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.971 8.693 -2.500 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -7.846 10.189 -5.160 1.00 15.00 N ATOM 574 CA SER B 206 -8.589 8.996 -4.707 1.00 15.00 C ATOM 575 C SER B 206 -7.997 8.470 -3.402 1.00 15.00 C ATOM 576 O SER B 206 -6.795 8.223 -3.320 1.00 15.00 O ATOM 577 CB SER B 206 -8.522 7.910 -5.784 1.00 15.00 C ATOM 578 OG SER B 206 -8.906 8.418 -7.053 1.00 15.00 O ATOM 0 HA SER B 206 -9.630 9.270 -4.534 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.509 7.513 -5.840 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.174 7.081 -5.509 1.00 15.00 H new ATOM 0 HG SER B 206 -8.604 9.346 -7.139 1.00 15.00 H new ATOM 586 N PRO B 207 -8.823 8.310 -2.360 1.00 15.00 N ATOM 587 CA PRO B 207 -8.377 7.750 -1.081 1.00 15.00 C ATOM 588 C PRO B 207 -8.041 6.264 -1.201 1.00 15.00 C ATOM 589 O PRO B 207 -8.821 5.488 -1.756 1.00 15.00 O ATOM 590 CB PRO B 207 -9.580 7.956 -0.158 1.00 15.00 C ATOM 591 CG PRO B 207 -10.755 8.046 -1.070 1.00 15.00 C ATOM 592 CD PRO B 207 -10.254 8.665 -2.344 1.00 15.00 C ATOM 0 HA PRO B 207 -7.467 8.226 -0.717 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.687 7.128 0.542 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.471 8.863 0.436 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.178 7.059 -1.257 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.545 8.653 -0.627 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.776 8.268 -3.215 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.400 9.745 -2.350 1.00 15.00 H new ATOM 600 N PRO B 208 -6.879 5.845 -0.679 1.00 15.00 N ATOM 601 CA PRO B 208 -6.439 4.453 -0.746 1.00 15.00 C ATOM 602 C PRO B 208 -7.268 3.560 0.171 1.00 15.00 C ATOM 603 O PRO B 208 -7.594 3.950 1.295 1.00 15.00 O ATOM 604 CB PRO B 208 -4.975 4.505 -0.273 1.00 15.00 C ATOM 605 CG PRO B 208 -4.620 5.954 -0.229 1.00 15.00 C ATOM 606 CD PRO B 208 -5.906 6.677 0.034 1.00 15.00 C ATOM 0 HA PRO B 208 -6.550 4.033 -1.746 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.863 4.044 0.708 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.322 3.962 -0.957 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.890 6.155 0.555 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.174 6.277 -1.170 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.127 6.740 1.099 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.885 7.698 -0.348 1.00 15.00 H new ATOM 614 N PRO B 209 -7.606 2.349 -0.303 1.00 15.00 N ATOM 615 CA PRO B 209 -8.399 1.373 0.453 1.00 15.00 C ATOM 616 C PRO B 209 -7.877 1.168 1.874 1.00 15.00 C ATOM 617 O PRO B 209 -6.666 1.156 2.105 1.00 15.00 O ATOM 618 CB PRO B 209 -8.253 0.074 -0.359 1.00 15.00 C ATOM 619 CG PRO B 209 -7.223 0.356 -1.403 1.00 15.00 C ATOM 620 CD PRO B 209 -7.256 1.835 -1.627 1.00 15.00 C ATOM 0 HA PRO B 209 -9.431 1.704 0.572 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -7.945 -0.753 0.280 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.202 -0.211 -0.814 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.235 0.033 -1.074 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.444 -0.183 -2.324 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.293 2.215 -1.968 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.994 2.115 -2.379 1.00 15.00 H new ATOM 628 N PRO B 210 -8.801 1.000 2.833 1.00 15.00 N ATOM 629 CA PRO B 210 -8.478 0.860 4.260 1.00 15.00 C ATOM 630 C PRO B 210 -7.388 -0.169 4.545 1.00 15.00 C ATOM 631 O PRO B 210 -7.376 -1.265 3.983 1.00 15.00 O ATOM 632 CB PRO B 210 -9.803 0.409 4.876 1.00 15.00 C ATOM 633 CG PRO B 210 -10.843 0.971 3.977 1.00 15.00 C ATOM 634 CD PRO B 210 -10.255 0.937 2.594 1.00 15.00 C ATOM 0 HA PRO B 210 -8.082 1.791 4.666 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.867 -0.678 4.926 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.915 0.782 5.894 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.760 0.384 4.026 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.101 1.990 4.267 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.535 0.028 2.062 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.599 1.778 1.991 1.00 15.00 H new ATOM 642 N TYR B 211 -6.496 0.193 5.456 1.00 15.00 N ATOM 643 CA TYR B 211 -5.394 -0.666 5.867 1.00 15.00 C ATOM 644 C TYR B 211 -5.887 -1.796 6.778 1.00 15.00 C ATOM 645 O TYR B 211 -5.169 -2.764 7.032 1.00 15.00 O ATOM 646 CB TYR B 211 -4.320 0.198 6.562 1.00 15.00 C ATOM 647 CG TYR B 211 -3.485 -0.520 7.601 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.420 -1.336 7.241 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.773 -0.374 8.951 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.671 -1.989 8.201 1.00 15.00 C ATOM 651 CE2 TYR B 211 -3.028 -1.021 9.912 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.981 -1.825 9.537 1.00 15.00 C ATOM 653 OH TYR B 211 -1.247 -2.474 10.503 1.00 15.00 O ATOM 0 H TYR B 211 -6.516 1.094 5.933 1.00 15.00 H new ATOM 0 HA TYR B 211 -4.954 -1.140 4.990 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.653 0.602 5.800 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.812 1.046 7.038 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.174 -1.462 6.197 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.595 0.258 9.253 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.848 -2.624 7.908 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -3.267 -0.896 10.958 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.802 -3.253 10.108 1.00 15.00 H new ATOM 663 N SER B 212 -7.122 -1.670 7.253 1.00 15.00 N ATOM 664 CA SER B 212 -7.701 -2.651 8.164 1.00 15.00 C ATOM 665 C SER B 212 -7.747 -4.040 7.526 1.00 15.00 C ATOM 666 O SER B 212 -7.293 -5.021 8.119 1.00 15.00 O ATOM 667 CB SER B 212 -9.107 -2.209 8.585 1.00 15.00 C ATOM 668 OG SER B 212 -9.731 -3.167 9.430 1.00 15.00 O ATOM 0 H SER B 212 -7.743 -0.895 7.021 1.00 15.00 H new ATOM 0 HA SER B 212 -7.067 -2.712 9.048 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.047 -1.252 9.103 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.720 -2.053 7.697 1.00 15.00 H new ATOM 0 HG SER B 212 -10.624 -2.851 9.679 1.00 15.00 H new ATOM 674 N ARG B 213 -8.296 -4.127 6.321 1.00 15.00 N ATOM 675 CA ARG B 213 -8.379 -5.397 5.623 1.00 15.00 C ATOM 676 C ARG B 213 -8.334 -5.181 4.117 1.00 15.00 C ATOM 677 O ARG B 213 -8.538 -4.068 3.639 1.00 15.00 O ATOM 678 CB ARG B 213 -9.634 -6.173 6.000 1.00 15.00 C ATOM 679 CG ARG B 213 -9.419 -7.670 5.891 1.00 15.00 C ATOM 680 CD ARG B 213 -8.764 -8.229 7.141 1.00 15.00 C ATOM 681 NE ARG B 213 -9.612 -8.087 8.324 1.00 15.00 N ATOM 682 CZ ARG B 213 -9.280 -8.537 9.534 1.00 15.00 C ATOM 683 NH1 ARG B 213 -8.145 -9.197 9.710 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -10.089 -8.340 10.566 1.00 15.00 N ATOM 0 H ARG B 213 -8.688 -3.335 5.811 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.517 -5.990 5.928 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.926 -5.920 7.019 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.456 -5.875 5.349 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.376 -8.165 5.728 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.795 -7.887 5.024 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.533 -9.283 6.987 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.817 -7.717 7.312 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.510 -7.616 8.217 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.523 -9.362 8.919 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.893 -9.540 10.637 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.970 -7.842 10.436 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.831 -8.686 11.490 1.00 15.00 H new ATOM 698 N TYR B 214 -8.096 -6.258 3.378 1.00 15.00 N ATOM 699 CA TYR B 214 -7.799 -6.168 1.955 1.00 15.00 C ATOM 700 C TYR B 214 -9.077 -6.235 1.132 1.00 15.00 C ATOM 701 O TYR B 214 -9.786 -7.244 1.147 1.00 15.00 O ATOM 702 CB TYR B 214 -6.859 -7.307 1.523 1.00 15.00 C ATOM 703 CG TYR B 214 -5.625 -7.479 2.392 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.343 -6.602 3.429 1.00 15.00 C ATOM 705 CD2 TYR B 214 -4.756 -8.541 2.186 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.242 -6.766 4.228 1.00 15.00 C ATOM 707 CE2 TYR B 214 -3.640 -8.714 2.982 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.389 -7.825 4.004 1.00 15.00 C ATOM 709 OH TYR B 214 -2.275 -7.992 4.799 1.00 15.00 O ATOM 0 H TYR B 214 -8.103 -7.210 3.745 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.309 -5.210 1.779 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.420 -8.242 1.524 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.541 -7.127 0.496 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.007 -5.770 3.611 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.955 -9.244 1.391 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.044 -6.069 5.029 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.969 -9.541 2.804 1.00 15.00 H new ATOM 0 HH TYR B 214 -1.782 -8.787 4.508 1.00 15.00 H new ATOM 719 N PRO B 215 -9.394 -5.146 0.421 1.00 15.00 N ATOM 720 CA PRO B 215 -10.545 -5.089 -0.475 1.00 15.00 C ATOM 721 C PRO B 215 -10.343 -5.945 -1.724 1.00 15.00 C ATOM 722 O PRO B 215 -9.557 -5.601 -2.608 1.00 15.00 O ATOM 723 CB PRO B 215 -10.634 -3.608 -0.848 1.00 15.00 C ATOM 724 CG PRO B 215 -9.240 -3.110 -0.704 1.00 15.00 C ATOM 725 CD PRO B 215 -8.656 -3.872 0.449 1.00 15.00 C ATOM 0 HA PRO B 215 -11.450 -5.476 -0.006 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.001 -3.475 -1.866 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.318 -3.072 -0.190 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.667 -3.279 -1.616 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.225 -2.037 -0.513 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.584 -4.025 0.328 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.798 -3.345 1.393 1.00 15.00 H new ATOM 733 N MET B 216 -11.029 -7.078 -1.770 1.00 15.00 N ATOM 734 CA MET B 216 -10.946 -7.977 -2.912 1.00 15.00 C ATOM 735 C MET B 216 -12.139 -7.737 -3.833 1.00 15.00 C ATOM 736 O MET B 216 -12.383 -8.481 -4.781 1.00 15.00 O ATOM 737 CB MET B 216 -10.908 -9.435 -2.434 1.00 15.00 C ATOM 738 CG MET B 216 -10.432 -10.415 -3.496 1.00 15.00 C ATOM 739 SD MET B 216 -10.273 -12.100 -2.873 1.00 15.00 S ATOM 740 CE MET B 216 -9.572 -12.921 -4.303 1.00 15.00 C ATOM 0 H MET B 216 -11.651 -7.397 -1.027 1.00 15.00 H new ATOM 0 HA MET B 216 -10.029 -7.780 -3.467 1.00 15.00 H new ATOM 0 HB2 MET B 216 -10.252 -9.507 -1.566 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.905 -9.726 -2.105 1.00 15.00 H new ATOM 0 HG2 MET B 216 -11.132 -10.406 -4.332 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.469 -10.084 -3.884 1.00 15.00 H new ATOM 0 HE1 MET B 216 -9.414 -13.975 -4.076 1.00 15.00 H new ATOM 0 HE2 MET B 216 -10.256 -12.830 -5.147 1.00 15.00 H new ATOM 0 HE3 MET B 216 -8.619 -12.458 -4.558 1.00 15.00 H new ATOM 750 N ASP B 217 -12.871 -6.673 -3.540 1.00 15.00 N ATOM 751 CA ASP B 217 -14.028 -6.287 -4.328 1.00 15.00 C ATOM 752 C ASP B 217 -13.824 -4.891 -4.898 1.00 15.00 C ATOM 753 O ASP B 217 -13.903 -3.919 -4.121 1.00 15.00 O ATOM 754 CB ASP B 217 -15.295 -6.329 -3.476 1.00 15.00 C ATOM 755 CG ASP B 217 -16.523 -5.863 -4.233 1.00 15.00 C ATOM 756 OD1 ASP B 217 -17.030 -6.629 -5.079 1.00 15.00 O ATOM 757 OD2 ASP B 217 -17.010 -4.747 -3.955 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -13.573 -4.778 -6.115 1.00 15.00 O ATOM 0 H ASP B 217 -12.679 -6.055 -2.751 1.00 15.00 H new ATOM 0 HA ASP B 217 -14.143 -6.994 -5.150 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -15.456 -7.347 -3.121 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -15.157 -5.703 -2.595 1.00 15.00 H new TER 763 ASP B 217