USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=16 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= 0.483 F(o=-2.6,f=-1.6) USER MOD Set 1.2: B 211 TYR OH : rot -14:sc= -2.05! USER MOD Set 2.1: A 250 ASN : amide:sc= 0.0411 K(o=0.17,f=-12!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.13 K(o=0.17,f=-5.3!) USER MOD Set 3.1: A 238 GLN :FLIP amide:sc= -1.55! C(o=-3.8!,f=-2.6!) USER MOD Set 3.2: A 248 TYR OH : rot -56:sc= -1.05 USER MOD Single : A 240 MET CE :methyl 156:sc= -0.246 (180deg=-0.986) USER MOD Single : A 241 THR OG1 : rot 83:sc= 0.136 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot 150:sc= -1 USER MOD Single : A 252 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.12) USER MOD Single : A 254 LYS NZ :NH3+ -151:sc= -1.54 (180deg=-3.46!) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 256 THR OG1 : rot -164:sc= 0.0869 USER MOD Single : A 257 SER OG : rot 134:sc= 0.409 USER MOD Single : B 206 SER OG : rot -34:sc= 0.187 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= -0.0444 (180deg=-0.462) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.565 -0.751 -6.189 1.00 15.00 N ATOM 2 CA GLY A 230 10.931 -1.299 -6.025 1.00 15.00 C ATOM 3 C GLY A 230 11.147 -1.861 -4.636 1.00 15.00 C ATOM 4 O GLY A 230 10.305 -2.609 -4.135 1.00 15.00 O ATOM 0 HA2 GLY A 230 11.100 -2.082 -6.764 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.663 -0.515 -6.218 1.00 15.00 H new ATOM 10 N PRO A 231 12.278 -1.540 -3.991 1.00 15.00 N ATOM 11 CA PRO A 231 12.551 -1.958 -2.622 1.00 15.00 C ATOM 12 C PRO A 231 11.989 -0.975 -1.597 1.00 15.00 C ATOM 13 O PRO A 231 12.462 0.157 -1.481 1.00 15.00 O ATOM 14 CB PRO A 231 14.077 -1.984 -2.570 1.00 15.00 C ATOM 15 CG PRO A 231 14.524 -0.957 -3.565 1.00 15.00 C ATOM 16 CD PRO A 231 13.394 -0.755 -4.551 1.00 15.00 C ATOM 0 HA PRO A 231 12.087 -2.913 -2.377 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.441 -1.747 -1.570 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.462 -2.971 -2.824 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.768 -0.020 -3.065 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.426 -1.289 -4.079 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.132 0.299 -4.645 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.667 -1.105 -5.546 1.00 15.00 H new ATOM 24 N LEU A 232 10.966 -1.401 -0.868 1.00 15.00 N ATOM 25 CA LEU A 232 10.307 -0.522 0.088 1.00 15.00 C ATOM 26 C LEU A 232 11.016 -0.510 1.432 1.00 15.00 C ATOM 27 O LEU A 232 11.787 -1.419 1.740 1.00 15.00 O ATOM 28 CB LEU A 232 8.817 -0.834 0.300 1.00 15.00 C ATOM 29 CG LEU A 232 7.897 -0.396 -0.830 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.066 1.075 -1.140 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.117 -1.229 -2.079 1.00 15.00 C ATOM 0 H LEU A 232 10.577 -2.343 -0.920 1.00 15.00 H new ATOM 0 HA LEU A 232 10.369 0.467 -0.365 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.704 -1.909 0.443 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.489 -0.353 1.222 1.00 15.00 H new ATOM 0 HG LEU A 232 6.874 -0.557 -0.491 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.395 1.355 -1.952 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.829 1.663 -0.253 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.096 1.268 -1.439 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.444 -0.889 -2.866 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.149 -1.120 -2.412 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.916 -2.277 -1.857 1.00 15.00 H new ATOM 43 N PRO A 233 10.759 0.528 2.260 1.00 15.00 N ATOM 44 CA PRO A 233 11.376 0.680 3.594 1.00 15.00 C ATOM 45 C PRO A 233 11.067 -0.494 4.532 1.00 15.00 C ATOM 46 O PRO A 233 11.594 -0.559 5.642 1.00 15.00 O ATOM 47 CB PRO A 233 10.710 1.961 4.115 1.00 15.00 C ATOM 48 CG PRO A 233 10.417 2.719 2.877 1.00 15.00 C ATOM 49 CD PRO A 233 9.851 1.673 1.986 1.00 15.00 C ATOM 0 HA PRO A 233 12.464 0.715 3.544 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.802 1.743 4.677 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.371 2.517 4.780 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.708 3.528 3.055 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.315 3.169 2.455 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.814 1.442 2.231 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.872 1.972 0.938 1.00 15.00 H new ATOM 57 N ASP A 234 10.152 -1.365 4.089 1.00 15.00 N ATOM 58 CA ASP A 234 9.725 -2.563 4.831 1.00 15.00 C ATOM 59 C ASP A 234 8.682 -2.205 5.871 1.00 15.00 C ATOM 60 O ASP A 234 8.288 -3.029 6.694 1.00 15.00 O ATOM 61 CB ASP A 234 10.900 -3.306 5.491 1.00 15.00 C ATOM 62 CG ASP A 234 11.762 -4.062 4.498 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.204 -4.690 3.569 1.00 15.00 O ATOM 64 OD2 ASP A 234 13.003 -4.065 4.659 1.00 15.00 O1- ATOM 0 H ASP A 234 9.679 -1.258 3.192 1.00 15.00 H new ATOM 0 HA ASP A 234 9.287 -3.242 4.099 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.520 -2.588 6.028 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.510 -4.006 6.230 1.00 15.00 H new ATOM 69 N GLY A 235 8.201 -0.977 5.798 1.00 15.00 N ATOM 70 CA GLY A 235 7.083 -0.579 6.617 1.00 15.00 C ATOM 71 C GLY A 235 5.777 -0.921 5.940 1.00 15.00 C ATOM 72 O GLY A 235 4.771 -1.181 6.596 1.00 15.00 O ATOM 0 H GLY A 235 8.566 -0.248 5.185 1.00 15.00 H new ATOM 0 HA2 GLY A 235 7.139 -1.078 7.584 1.00 15.00 H new ATOM 0 HA3 GLY A 235 7.129 0.493 6.808 1.00 15.00 H new ATOM 76 N TRP A 236 5.813 -0.962 4.613 1.00 15.00 N ATOM 77 CA TRP A 236 4.616 -1.188 3.819 1.00 15.00 C ATOM 78 C TRP A 236 4.777 -2.158 2.668 1.00 15.00 C ATOM 79 O TRP A 236 5.839 -2.284 2.061 1.00 15.00 O ATOM 80 CB TRP A 236 3.974 0.124 3.358 1.00 15.00 C ATOM 81 CG TRP A 236 4.894 1.296 3.161 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.219 1.318 2.823 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.506 2.657 3.343 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.671 2.619 2.813 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.633 3.456 3.126 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.299 3.269 3.675 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.592 4.845 3.241 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.253 4.643 3.784 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.395 5.419 3.572 1.00 15.00 C ATOM 0 H TRP A 236 6.664 -0.841 4.064 1.00 15.00 H new ATOM 0 HA TRP A 236 3.933 -1.685 4.508 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.456 -0.063 2.417 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.216 0.406 4.088 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.819 0.449 2.598 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.626 2.912 2.606 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.412 2.676 3.844 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.474 5.446 3.075 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.321 5.126 4.037 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.332 6.493 3.671 1.00 15.00 H new ATOM 100 N GLU A 237 3.656 -2.812 2.384 1.00 15.00 N ATOM 101 CA GLU A 237 3.558 -3.894 1.430 1.00 15.00 C ATOM 102 C GLU A 237 2.621 -3.472 0.298 1.00 15.00 C ATOM 103 O GLU A 237 1.549 -2.920 0.559 1.00 15.00 O ATOM 104 CB GLU A 237 2.986 -5.111 2.163 1.00 15.00 C ATOM 105 CG GLU A 237 2.827 -6.344 1.303 1.00 15.00 C ATOM 106 CD GLU A 237 4.132 -7.070 1.082 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.990 -6.557 0.338 1.00 15.00 O ATOM 108 OE2 GLU A 237 4.302 -8.167 1.656 1.00 15.00 O1- ATOM 0 H GLU A 237 2.766 -2.591 2.830 1.00 15.00 H new ATOM 0 HA GLU A 237 4.533 -4.138 1.008 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.637 -5.352 3.004 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.014 -4.845 2.578 1.00 15.00 H new ATOM 0 HG2 GLU A 237 2.114 -7.021 1.773 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.407 -6.058 0.339 1.00 15.00 H new ATOM 115 N GLN A 238 3.004 -3.740 -0.944 1.00 15.00 N ATOM 116 CA GLN A 238 2.194 -3.328 -2.085 1.00 15.00 C ATOM 117 C GLN A 238 1.195 -4.432 -2.453 1.00 15.00 C ATOM 118 O GLN A 238 1.592 -5.501 -2.914 1.00 15.00 O ATOM 119 CB GLN A 238 3.086 -3.012 -3.292 1.00 15.00 C ATOM 120 CG GLN A 238 2.353 -2.356 -4.446 1.00 15.00 C ATOM 121 CD GLN A 238 3.154 -2.409 -5.730 1.00 15.00 C ATOM 122 OE1 GLN A 238 4.038 -1.445 -5.923 1.00 15.00 O flip ATOM 123 NE2 GLN A 238 3.003 -3.329 -6.533 1.00 15.00 N flip ATOM 0 H GLN A 238 3.862 -4.236 -1.187 1.00 15.00 H new ATOM 0 HA GLN A 238 1.645 -2.428 -1.808 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.896 -2.357 -2.971 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.544 -3.936 -3.644 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.394 -2.853 -4.596 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.138 -1.317 -4.195 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.311 -4.056 -6.351 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.570 -3.365 -7.380 1.00 15.00 H new ATOM 132 N ALA A 239 -0.094 -4.188 -2.224 1.00 15.00 N ATOM 133 CA ALA A 239 -1.123 -5.161 -2.552 1.00 15.00 C ATOM 134 C ALA A 239 -1.909 -4.707 -3.775 1.00 15.00 C ATOM 135 O ALA A 239 -2.051 -3.509 -4.016 1.00 15.00 O ATOM 136 CB ALA A 239 -2.050 -5.372 -1.366 1.00 15.00 C ATOM 0 H ALA A 239 -0.446 -3.324 -1.813 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.643 -6.112 -2.785 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.815 -6.103 -1.628 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.475 -5.737 -0.515 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.526 -4.427 -1.104 1.00 15.00 H new ATOM 142 N MET A 240 -2.412 -5.659 -4.545 1.00 15.00 N ATOM 143 CA MET A 240 -3.133 -5.350 -5.773 1.00 15.00 C ATOM 144 C MET A 240 -4.635 -5.532 -5.583 1.00 15.00 C ATOM 145 O MET A 240 -5.086 -6.583 -5.128 1.00 15.00 O ATOM 146 CB MET A 240 -2.664 -6.252 -6.924 1.00 15.00 C ATOM 147 CG MET A 240 -1.216 -6.043 -7.348 1.00 15.00 C ATOM 148 SD MET A 240 -0.022 -6.812 -6.230 1.00 15.00 S ATOM 149 CE MET A 240 -0.451 -8.542 -6.412 1.00 15.00 C ATOM 0 H MET A 240 -2.335 -6.656 -4.342 1.00 15.00 H new ATOM 0 HA MET A 240 -2.924 -4.309 -6.020 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.795 -7.293 -6.628 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.309 -6.082 -7.786 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.077 -6.448 -8.350 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.013 -4.974 -7.405 1.00 15.00 H new ATOM 0 HE1 MET A 240 0.409 -9.159 -6.154 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.282 -8.783 -5.749 1.00 15.00 H new ATOM 0 HE3 MET A 240 -0.742 -8.738 -7.444 1.00 15.00 H new ATOM 159 N THR A 241 -5.411 -4.513 -5.936 1.00 15.00 N ATOM 160 CA THR A 241 -6.856 -4.638 -5.928 1.00 15.00 C ATOM 161 C THR A 241 -7.365 -4.796 -7.363 1.00 15.00 C ATOM 162 O THR A 241 -6.801 -4.219 -8.301 1.00 15.00 O ATOM 163 CB THR A 241 -7.550 -3.442 -5.228 1.00 15.00 C ATOM 164 OG1 THR A 241 -8.941 -3.731 -5.021 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.420 -2.159 -6.037 1.00 15.00 C ATOM 0 H THR A 241 -5.063 -3.600 -6.228 1.00 15.00 H new ATOM 0 HA THR A 241 -7.110 -5.526 -5.350 1.00 15.00 H new ATOM 0 HB THR A 241 -7.052 -3.293 -4.270 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.047 -4.264 -4.205 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.920 -1.345 -5.511 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.365 -1.915 -6.165 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.882 -2.297 -7.015 1.00 15.00 H new ATOM 173 N GLN A 242 -8.437 -5.570 -7.517 1.00 15.00 N ATOM 174 CA GLN A 242 -8.941 -5.974 -8.832 1.00 15.00 C ATOM 175 C GLN A 242 -9.332 -4.775 -9.694 1.00 15.00 C ATOM 176 O GLN A 242 -9.341 -4.855 -10.923 1.00 15.00 O ATOM 177 CB GLN A 242 -10.146 -6.893 -8.665 1.00 15.00 C ATOM 178 CG GLN A 242 -10.672 -7.446 -9.973 1.00 15.00 C ATOM 179 CD GLN A 242 -9.794 -8.548 -10.533 1.00 15.00 C ATOM 180 OE1 GLN A 242 -8.850 -8.293 -11.284 1.00 15.00 O ATOM 181 NE2 GLN A 242 -10.100 -9.783 -10.172 1.00 15.00 N ATOM 0 H GLN A 242 -8.982 -5.936 -6.736 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.134 -6.500 -9.341 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.872 -7.723 -8.013 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.944 -6.345 -8.165 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.680 -7.831 -9.821 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.745 -6.639 -10.702 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -10.889 -9.951 -9.548 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -9.546 -10.567 -10.517 1.00 15.00 H new ATOM 190 N ASP A 243 -9.669 -3.678 -9.035 1.00 15.00 N ATOM 191 CA ASP A 243 -10.033 -2.434 -9.719 1.00 15.00 C ATOM 192 C ASP A 243 -8.884 -1.922 -10.597 1.00 15.00 C ATOM 193 O ASP A 243 -9.068 -1.034 -11.432 1.00 15.00 O ATOM 194 CB ASP A 243 -10.432 -1.368 -8.690 1.00 15.00 C ATOM 195 CG ASP A 243 -10.923 -0.081 -9.327 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.026 -0.083 -9.908 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -10.213 0.944 -9.234 1.00 15.00 O ATOM 0 H ASP A 243 -9.700 -3.618 -8.017 1.00 15.00 H new ATOM 0 HA ASP A 243 -10.882 -2.641 -10.370 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.214 -1.769 -8.045 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.575 -1.148 -8.053 1.00 15.00 H new ATOM 202 N GLY A 244 -7.701 -2.496 -10.409 1.00 15.00 N ATOM 203 CA GLY A 244 -6.565 -2.153 -11.244 1.00 15.00 C ATOM 204 C GLY A 244 -5.606 -1.177 -10.592 1.00 15.00 C ATOM 205 O GLY A 244 -4.948 -0.403 -11.287 1.00 15.00 O ATOM 0 H GLY A 244 -7.508 -3.195 -9.691 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.025 -3.064 -11.500 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -6.928 -1.724 -12.178 1.00 15.00 H new ATOM 209 N GLU A 245 -5.501 -1.220 -9.269 1.00 15.00 N ATOM 210 CA GLU A 245 -4.602 -0.326 -8.556 1.00 15.00 C ATOM 211 C GLU A 245 -3.884 -1.053 -7.433 1.00 15.00 C ATOM 212 O GLU A 245 -4.428 -1.970 -6.815 1.00 15.00 O ATOM 213 CB GLU A 245 -5.341 0.888 -7.987 1.00 15.00 C ATOM 214 CG GLU A 245 -5.775 1.895 -9.038 1.00 15.00 C ATOM 215 CD GLU A 245 -5.998 3.274 -8.461 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.996 3.986 -8.228 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -7.165 3.656 -8.242 1.00 15.00 O ATOM 0 H GLU A 245 -6.025 -1.861 -8.673 1.00 15.00 H new ATOM 0 HA GLU A 245 -3.868 0.025 -9.282 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.221 0.543 -7.444 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.696 1.388 -7.264 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.017 1.950 -9.819 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.695 1.549 -9.510 1.00 15.00 H new ATOM 224 N ILE A 246 -2.669 -0.622 -7.170 1.00 15.00 N ATOM 225 CA ILE A 246 -1.873 -1.172 -6.091 1.00 15.00 C ATOM 226 C ILE A 246 -1.850 -0.202 -4.914 1.00 15.00 C ATOM 227 O ILE A 246 -1.774 1.011 -5.108 1.00 15.00 O ATOM 228 CB ILE A 246 -0.436 -1.468 -6.569 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.190 -0.212 -7.191 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.444 -2.622 -7.561 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.465 -0.475 -7.968 1.00 15.00 C ATOM 0 H ILE A 246 -2.205 0.118 -7.696 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.325 -2.110 -5.769 1.00 15.00 H new ATOM 0 HB ILE A 246 0.171 -1.757 -5.711 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.538 0.253 -7.856 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.402 0.506 -6.398 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.575 -2.824 -7.893 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -0.852 -3.512 -7.081 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.060 -2.359 -8.421 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.843 0.463 -8.375 1.00 15.00 H new ATOM 0 HD12 ILE A 246 2.212 -0.910 -7.304 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.258 -1.167 -8.784 1.00 15.00 H new ATOM 243 N TYR A 247 -1.950 -0.732 -3.706 1.00 15.00 N ATOM 244 CA TYR A 247 -1.983 0.097 -2.510 1.00 15.00 C ATOM 245 C TYR A 247 -1.019 -0.451 -1.451 1.00 15.00 C ATOM 246 O TYR A 247 -0.944 -1.665 -1.247 1.00 15.00 O ATOM 247 CB TYR A 247 -3.416 0.179 -1.948 1.00 15.00 C ATOM 248 CG TYR A 247 -4.028 -1.155 -1.550 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.524 -2.028 -2.511 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.117 -1.534 -0.212 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.088 -3.237 -2.155 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.682 -2.747 0.153 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.165 -3.592 -0.825 1.00 15.00 C ATOM 254 OH TYR A 247 -5.723 -4.799 -0.474 1.00 15.00 O ATOM 0 H TYR A 247 -2.010 -1.734 -3.526 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.662 1.103 -2.779 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.411 0.834 -1.077 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.057 0.647 -2.695 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.467 -1.756 -3.555 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.740 -0.872 0.554 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.468 -3.903 -2.916 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.743 -3.028 1.194 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.306 -5.124 0.351 1.00 15.00 H new ATOM 264 N TYR A 248 -0.290 0.434 -0.773 1.00 15.00 N ATOM 265 CA TYR A 248 0.642 0.030 0.263 1.00 15.00 C ATOM 266 C TYR A 248 -0.014 0.064 1.628 1.00 15.00 C ATOM 267 O TYR A 248 -0.444 1.122 2.095 1.00 15.00 O ATOM 268 CB TYR A 248 1.872 0.939 0.282 1.00 15.00 C ATOM 269 CG TYR A 248 2.861 0.626 -0.802 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.704 1.132 -2.085 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.945 -0.194 -0.546 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.602 0.824 -3.083 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.842 -0.501 -1.538 1.00 15.00 C ATOM 274 CZ TYR A 248 4.668 0.006 -2.804 1.00 15.00 C ATOM 275 OH TYR A 248 5.564 -0.310 -3.799 1.00 15.00 O ATOM 0 H TYR A 248 -0.332 1.441 -0.929 1.00 15.00 H new ATOM 0 HA TYR A 248 0.951 -0.990 0.036 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.550 1.976 0.182 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.365 0.851 1.250 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.866 1.777 -2.304 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.087 -0.597 0.446 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.468 1.223 -4.078 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.685 -1.141 -1.324 1.00 15.00 H new ATOM 0 HH TYR A 248 5.085 -0.707 -4.556 1.00 15.00 H new ATOM 285 N ILE A 249 -0.096 -1.090 2.256 1.00 15.00 N ATOM 286 CA ILE A 249 -0.538 -1.173 3.629 1.00 15.00 C ATOM 287 C ILE A 249 0.669 -1.097 4.557 1.00 15.00 C ATOM 288 O ILE A 249 1.517 -1.992 4.568 1.00 15.00 O ATOM 289 CB ILE A 249 -1.343 -2.468 3.892 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.621 -3.686 3.304 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.745 -2.342 3.313 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.340 -4.997 3.545 1.00 15.00 C ATOM 0 H ILE A 249 0.140 -1.988 1.833 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.203 -0.332 3.827 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.424 -2.613 4.969 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.499 -3.541 2.231 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.379 -3.746 3.733 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.302 -3.259 3.504 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.258 -1.502 3.781 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.681 -2.174 2.238 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.769 -5.812 3.100 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.439 -5.166 4.617 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.330 -4.958 3.091 1.00 15.00 H new ATOM 304 N ASN A 250 0.757 -0.019 5.322 1.00 15.00 N ATOM 305 CA ASN A 250 1.893 0.189 6.203 1.00 15.00 C ATOM 306 C ASN A 250 1.592 -0.440 7.568 1.00 15.00 C ATOM 307 O ASN A 250 0.795 0.117 8.329 1.00 15.00 O ATOM 308 CB ASN A 250 2.192 1.685 6.373 1.00 15.00 C ATOM 309 CG ASN A 250 3.454 1.954 7.185 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.843 1.167 8.045 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.097 3.079 6.923 1.00 15.00 N ATOM 0 H ASN A 250 0.057 0.722 5.350 1.00 15.00 H new ATOM 0 HA ASN A 250 2.771 -0.283 5.761 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.296 2.143 5.389 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.344 2.166 6.861 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.943 3.315 7.441 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.747 3.710 6.202 1.00 15.00 H new ATOM 318 N HIS A 251 2.204 -1.605 7.871 1.00 15.00 N ATOM 319 CA HIS A 251 1.921 -2.329 9.099 1.00 15.00 C ATOM 320 C HIS A 251 2.571 -1.658 10.308 1.00 15.00 C ATOM 321 O HIS A 251 2.223 -1.956 11.451 1.00 15.00 O ATOM 322 CB HIS A 251 2.409 -3.781 8.988 1.00 15.00 C ATOM 323 CG HIS A 251 1.590 -4.662 8.081 1.00 15.00 C ATOM 324 ND1 HIS A 251 0.489 -5.406 8.342 1.00 15.00 N flip ATOM 325 CD2 HIS A 251 1.891 -4.891 6.750 1.00 15.00 C flip ATOM 326 CE1 HIS A 251 0.151 -6.066 7.183 1.00 15.00 C flip ATOM 327 NE2 HIS A 251 1.014 -5.734 6.242 1.00 15.00 N flip ATOM 0 H HIS A 251 2.897 -2.053 7.271 1.00 15.00 H new ATOM 0 HA HIS A 251 0.841 -2.320 9.244 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.439 -3.776 8.631 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.419 -4.222 9.985 1.00 15.00 H new ATOM 0 HD2 HIS A 251 2.716 -4.448 6.211 1.00 15.00 H new ATOM 0 HE1 HIS A 251 -0.682 -6.743 7.064 1.00 15.00 H new ATOM 0 HE2 HIS A 251 1.004 -6.074 5.280 1.00 15.00 H new ATOM 336 N LYS A 252 3.529 -0.771 10.061 1.00 15.00 N ATOM 337 CA LYS A 252 4.218 -0.077 11.149 1.00 15.00 C ATOM 338 C LYS A 252 3.527 1.236 11.534 1.00 15.00 C ATOM 339 O LYS A 252 3.606 1.666 12.687 1.00 15.00 O ATOM 340 CB LYS A 252 5.686 0.204 10.799 1.00 15.00 C ATOM 341 CG LYS A 252 6.635 -0.960 11.058 1.00 15.00 C ATOM 342 CD LYS A 252 6.554 -2.033 9.984 1.00 15.00 C ATOM 343 CE LYS A 252 7.556 -3.146 10.255 1.00 15.00 C ATOM 344 NZ LYS A 252 7.674 -4.095 9.117 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.846 -0.515 9.126 1.00 15.00 H new ATOM 0 HA LYS A 252 4.177 -0.749 12.006 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.748 0.479 9.746 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.024 1.066 11.374 1.00 15.00 H new ATOM 0 HG2 LYS A 252 7.657 -0.585 11.115 1.00 15.00 H new ATOM 0 HG3 LYS A 252 6.404 -1.403 12.027 1.00 15.00 H new ATOM 0 HD2 LYS A 252 5.546 -2.446 9.951 1.00 15.00 H new ATOM 0 HD3 LYS A 252 6.750 -1.591 9.007 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.533 -2.709 10.462 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.255 -3.692 11.149 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.190 -4.944 9.425 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.724 -4.366 8.791 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.190 -3.640 8.337 1.00 15.00 H new ATOM 358 N ASN A 253 2.877 1.890 10.577 1.00 15.00 N ATOM 359 CA ASN A 253 2.248 3.184 10.835 1.00 15.00 C ATOM 360 C ASN A 253 0.730 3.111 10.719 1.00 15.00 C ATOM 361 O ASN A 253 0.039 4.087 11.015 1.00 15.00 O ATOM 362 CB ASN A 253 2.782 4.249 9.871 1.00 15.00 C ATOM 363 CG ASN A 253 4.242 4.589 10.104 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.137 3.963 9.535 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.491 5.591 10.935 1.00 15.00 N ATOM 0 H ASN A 253 2.771 1.550 9.621 1.00 15.00 H new ATOM 0 HA ASN A 253 2.500 3.461 11.859 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.657 3.898 8.847 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.184 5.155 9.973 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.454 5.870 11.124 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.720 6.083 11.386 1.00 15.00 H new ATOM 372 N LYS A 254 0.216 1.961 10.276 1.00 15.00 N ATOM 373 CA LYS A 254 -1.226 1.765 10.107 1.00 15.00 C ATOM 374 C LYS A 254 -1.758 2.732 9.038 1.00 15.00 C ATOM 375 O LYS A 254 -2.897 3.197 9.097 1.00 15.00 O ATOM 376 CB LYS A 254 -1.938 1.961 11.462 1.00 15.00 C ATOM 377 CG LYS A 254 -3.407 1.556 11.476 1.00 15.00 C ATOM 378 CD LYS A 254 -4.028 1.687 12.863 1.00 15.00 C ATOM 379 CE LYS A 254 -4.391 3.127 13.216 1.00 15.00 C ATOM 380 NZ LYS A 254 -3.200 4.007 13.364 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.780 1.148 10.027 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.428 0.749 9.767 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.409 1.384 12.221 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.862 3.010 11.748 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.960 2.178 10.772 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.501 0.526 11.134 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -4.924 1.068 12.915 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.331 1.301 13.606 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.041 3.532 12.441 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -4.960 3.135 14.146 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -3.413 4.768 14.040 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -2.396 3.447 13.714 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -2.958 4.421 12.441 1.00 15.00 H new ATOM 394 N THR A 255 -0.940 2.972 8.020 1.00 15.00 N ATOM 395 CA THR A 255 -1.252 3.986 7.013 1.00 15.00 C ATOM 396 C THR A 255 -1.324 3.380 5.609 1.00 15.00 C ATOM 397 O THR A 255 -0.666 2.382 5.330 1.00 15.00 O ATOM 398 CB THR A 255 -0.212 5.128 7.018 1.00 15.00 C ATOM 399 OG1 THR A 255 1.116 4.598 6.914 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.329 5.963 8.282 1.00 15.00 C ATOM 0 H THR A 255 -0.058 2.482 7.868 1.00 15.00 H new ATOM 0 HA THR A 255 -2.229 4.393 7.275 1.00 15.00 H new ATOM 0 HB THR A 255 -0.412 5.765 6.157 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.763 5.334 6.917 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.414 6.760 8.261 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.327 6.398 8.340 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.158 5.330 9.153 1.00 15.00 H new ATOM 408 N THR A 256 -2.143 3.959 4.732 1.00 15.00 N ATOM 409 CA THR A 256 -2.229 3.487 3.359 1.00 15.00 C ATOM 410 C THR A 256 -1.718 4.555 2.386 1.00 15.00 C ATOM 411 O THR A 256 -2.122 5.715 2.455 1.00 15.00 O ATOM 412 CB THR A 256 -3.677 3.122 2.976 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.374 2.595 4.114 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.683 2.083 1.865 1.00 15.00 C ATOM 0 H THR A 256 -2.750 4.749 4.949 1.00 15.00 H new ATOM 0 HA THR A 256 -1.607 2.594 3.290 1.00 15.00 H new ATOM 0 HB THR A 256 -4.177 4.027 2.630 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.187 2.136 3.816 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.712 1.835 1.605 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.174 2.484 0.989 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.168 1.184 2.204 1.00 15.00 H new ATOM 422 N SER A 257 -0.821 4.162 1.495 1.00 15.00 N ATOM 423 CA SER A 257 -0.308 5.056 0.464 1.00 15.00 C ATOM 424 C SER A 257 -0.232 4.305 -0.859 1.00 15.00 C ATOM 425 O SER A 257 0.209 3.169 -0.886 1.00 15.00 O ATOM 426 CB SER A 257 1.073 5.579 0.863 1.00 15.00 C ATOM 427 OG SER A 257 1.008 6.308 2.078 1.00 15.00 O ATOM 0 H SER A 257 -0.429 3.221 1.464 1.00 15.00 H new ATOM 0 HA SER A 257 -0.978 5.909 0.353 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.765 4.744 0.972 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.467 6.217 0.072 1.00 15.00 H new ATOM 0 HG SER A 257 1.734 6.022 2.670 1.00 15.00 H new ATOM 433 N TRP A 258 -0.643 4.941 -1.947 1.00 15.00 N ATOM 434 CA TRP A 258 -0.771 4.258 -3.235 1.00 15.00 C ATOM 435 C TRP A 258 0.549 3.662 -3.738 1.00 15.00 C ATOM 436 O TRP A 258 0.653 2.453 -3.940 1.00 15.00 O ATOM 437 CB TRP A 258 -1.309 5.212 -4.301 1.00 15.00 C ATOM 438 CG TRP A 258 -2.786 5.467 -4.239 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.402 6.662 -4.010 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.832 4.508 -4.436 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.766 6.507 -4.061 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.055 5.194 -4.320 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.852 3.139 -4.701 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.284 4.552 -4.467 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.069 2.504 -4.842 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.270 3.211 -4.728 1.00 15.00 C ATOM 0 H TRP A 258 -0.895 5.929 -1.968 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.468 3.437 -3.065 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.787 6.165 -4.211 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.067 4.808 -5.284 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.892 7.594 -3.817 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.452 7.250 -3.928 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.930 2.585 -4.794 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.213 5.095 -4.378 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.094 1.443 -5.044 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.206 2.686 -4.849 1.00 15.00 H new ATOM 457 N LEU A 259 1.548 4.507 -3.946 1.00 15.00 N ATOM 458 CA LEU A 259 2.737 4.106 -4.692 1.00 15.00 C ATOM 459 C LEU A 259 4.034 4.206 -3.907 1.00 15.00 C ATOM 460 O LEU A 259 4.128 4.910 -2.901 1.00 15.00 O ATOM 461 CB LEU A 259 2.847 4.860 -6.012 1.00 15.00 C ATOM 462 CG LEU A 259 2.135 4.169 -7.175 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.373 4.923 -8.474 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.606 2.721 -7.291 1.00 15.00 C ATOM 0 H LEU A 259 1.562 5.471 -3.612 1.00 15.00 H new ATOM 0 HA LEU A 259 2.596 3.045 -4.897 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.431 5.860 -5.885 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.900 4.983 -6.264 1.00 15.00 H new ATOM 0 HG LEU A 259 1.063 4.169 -6.980 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.858 4.415 -9.289 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.990 5.939 -8.380 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.442 4.956 -8.685 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.093 2.237 -8.122 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.681 2.701 -7.467 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.380 2.190 -6.366 1.00 15.00 H new ATOM 476 N ASP A 260 5.030 3.483 -4.419 1.00 15.00 N ATOM 477 CA ASP A 260 6.326 3.301 -3.771 1.00 15.00 C ATOM 478 C ASP A 260 7.025 4.640 -3.548 1.00 15.00 C ATOM 479 O ASP A 260 7.357 5.356 -4.496 1.00 15.00 O ATOM 480 CB ASP A 260 7.186 2.395 -4.672 1.00 15.00 C ATOM 481 CG ASP A 260 8.578 2.098 -4.138 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.233 3.003 -3.592 1.00 15.00 O ATOM 483 OD2 ASP A 260 9.026 0.947 -4.294 1.00 15.00 O1- ATOM 0 H ASP A 260 4.956 2.998 -5.313 1.00 15.00 H new ATOM 0 HA ASP A 260 6.183 2.843 -2.792 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.661 1.452 -4.821 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.281 2.865 -5.651 1.00 15.00 H new ATOM 488 N PRO A 261 7.217 4.994 -2.267 1.00 15.00 N ATOM 489 CA PRO A 261 7.837 6.253 -1.852 1.00 15.00 C ATOM 490 C PRO A 261 9.363 6.234 -1.926 1.00 15.00 C ATOM 491 O PRO A 261 10.013 7.278 -1.876 1.00 15.00 O ATOM 492 CB PRO A 261 7.378 6.392 -0.404 1.00 15.00 C ATOM 493 CG PRO A 261 7.237 4.992 0.082 1.00 15.00 C ATOM 494 CD PRO A 261 6.823 4.173 -1.107 1.00 15.00 C ATOM 0 HA PRO A 261 7.548 7.078 -2.503 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.104 6.947 0.190 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.433 6.932 -0.338 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.177 4.628 0.497 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.493 4.929 0.876 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.323 3.204 -1.117 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.750 3.979 -1.103 1.00 15.00 H new ATOM 502 N ARG A 262 9.933 5.044 -2.004 1.00 15.00 N ATOM 503 CA ARG A 262 11.377 4.896 -2.058 1.00 15.00 C ATOM 504 C ARG A 262 11.883 5.159 -3.477 1.00 15.00 C ATOM 505 O ARG A 262 13.069 5.399 -3.696 1.00 15.00 O ATOM 506 CB ARG A 262 11.792 3.511 -1.538 1.00 15.00 C ATOM 507 CG ARG A 262 13.272 3.187 -1.711 1.00 15.00 C ATOM 508 CD ARG A 262 14.159 4.192 -0.989 1.00 15.00 C ATOM 509 NE ARG A 262 13.874 4.251 0.442 1.00 15.00 N ATOM 510 CZ ARG A 262 13.547 5.368 1.090 1.00 15.00 C ATOM 511 NH1 ARG A 262 13.485 6.523 0.435 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 13.296 5.326 2.391 1.00 15.00 N ATOM 0 H ARG A 262 9.417 4.165 -2.031 1.00 15.00 H new ATOM 0 HA ARG A 262 11.841 5.636 -1.406 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.540 3.444 -0.480 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.204 2.752 -2.054 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.472 2.186 -1.329 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.521 3.179 -2.772 1.00 15.00 H new ATOM 0 HD2 ARG A 262 15.205 3.924 -1.139 1.00 15.00 H new ATOM 0 HD3 ARG A 262 14.017 5.180 -1.427 1.00 15.00 H new ATOM 0 HE ARG A 262 13.929 3.385 0.978 1.00 15.00 H new ATOM 0 HH11 ARG A 262 13.688 6.554 -0.564 1.00 15.00 H new ATOM 0 HH12 ARG A 262 13.235 7.378 0.932 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.354 4.440 2.893 1.00 15.00 H new ATOM 0 HH22 ARG A 262 13.045 6.180 2.890 1.00 15.00 H new ATOM 526 N LEU A 263 10.975 5.090 -4.441 1.00 15.00 N ATOM 527 CA LEU A 263 11.304 5.420 -5.821 1.00 15.00 C ATOM 528 C LEU A 263 11.306 6.932 -6.055 1.00 15.00 C ATOM 529 O LEU A 263 11.712 7.396 -7.119 1.00 15.00 O ATOM 530 CB LEU A 263 10.330 4.743 -6.788 1.00 15.00 C ATOM 531 CG LEU A 263 10.351 3.212 -6.768 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.394 2.654 -7.808 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.760 2.690 -7.005 1.00 15.00 C ATOM 0 H LEU A 263 10.006 4.809 -4.293 1.00 15.00 H new ATOM 0 HA LEU A 263 12.310 5.047 -6.011 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.320 5.080 -6.556 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.554 5.080 -7.800 1.00 15.00 H new ATOM 0 HG LEU A 263 10.025 2.878 -5.783 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.421 1.565 -7.780 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.382 2.997 -7.593 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.691 2.999 -8.798 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.752 1.600 -6.987 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.117 3.034 -7.976 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.422 3.061 -6.223 1.00 15.00 H new ATOM 545 N ASP A 264 10.826 7.696 -5.076 1.00 15.00 N ATOM 546 CA ASP A 264 10.782 9.158 -5.197 1.00 15.00 C ATOM 547 C ASP A 264 12.171 9.797 -5.368 1.00 15.00 C ATOM 548 O ASP A 264 12.354 10.631 -6.257 1.00 15.00 O ATOM 549 CB ASP A 264 10.059 9.803 -4.006 1.00 15.00 C ATOM 550 CG ASP A 264 8.550 9.733 -4.116 1.00 15.00 C ATOM 551 OD1 ASP A 264 7.968 8.691 -3.752 1.00 15.00 O ATOM 552 OD2 ASP A 264 7.932 10.734 -4.534 1.00 15.00 O1- ATOM 0 H ASP A 264 10.463 7.333 -4.194 1.00 15.00 H new ATOM 0 HA ASP A 264 10.218 9.354 -6.109 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.373 9.308 -3.087 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.363 10.847 -3.926 1.00 15.00 H new ATOM 557 N PRO A 265 13.155 9.459 -4.508 1.00 15.00 N ATOM 558 CA PRO A 265 14.532 9.951 -4.643 1.00 15.00 C ATOM 559 C PRO A 265 15.172 9.528 -5.962 1.00 15.00 C ATOM 560 O PRO A 265 15.579 10.416 -6.739 1.00 15.00 O ATOM 561 CB PRO A 265 15.275 9.319 -3.458 1.00 15.00 C ATOM 562 CG PRO A 265 14.410 8.192 -3.013 1.00 15.00 C ATOM 563 CD PRO A 265 13.004 8.611 -3.321 1.00 15.00 C ATOM 564 OXT PRO A 265 15.254 8.311 -6.225 1.00 15.00 O ATOM 0 HA PRO A 265 14.568 11.040 -4.643 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.262 8.965 -3.755 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.424 10.042 -2.656 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.667 7.271 -3.536 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.536 7.999 -1.948 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.363 7.752 -3.520 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.556 9.158 -2.491 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -7.652 10.649 -4.827 1.00 15.00 N ATOM 574 CA SER B 206 -8.147 9.282 -4.586 1.00 15.00 C ATOM 575 C SER B 206 -7.621 8.751 -3.255 1.00 15.00 C ATOM 576 O SER B 206 -6.410 8.655 -3.049 1.00 15.00 O ATOM 577 CB SER B 206 -7.715 8.371 -5.735 1.00 15.00 C ATOM 578 OG SER B 206 -6.323 8.488 -5.987 1.00 15.00 O ATOM 0 HA SER B 206 -9.236 9.300 -4.537 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.958 7.336 -5.493 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.273 8.627 -6.635 1.00 15.00 H new ATOM 0 HG SER B 206 -6.036 9.410 -5.818 1.00 15.00 H new ATOM 586 N PRO B 207 -8.522 8.410 -2.326 1.00 15.00 N ATOM 587 CA PRO B 207 -8.136 7.844 -1.038 1.00 15.00 C ATOM 588 C PRO B 207 -7.817 6.356 -1.148 1.00 15.00 C ATOM 589 O PRO B 207 -8.600 5.588 -1.712 1.00 15.00 O ATOM 590 CB PRO B 207 -9.377 8.066 -0.177 1.00 15.00 C ATOM 591 CG PRO B 207 -10.516 8.036 -1.138 1.00 15.00 C ATOM 592 CD PRO B 207 -9.986 8.550 -2.454 1.00 15.00 C ATOM 0 HA PRO B 207 -7.234 8.303 -0.632 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.478 7.289 0.580 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.328 9.019 0.349 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.905 7.023 -1.246 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.339 8.657 -0.783 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.371 7.971 -3.293 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.275 9.587 -2.623 1.00 15.00 H new ATOM 600 N PRO B 208 -6.662 5.925 -0.628 1.00 15.00 N ATOM 601 CA PRO B 208 -6.291 4.517 -0.625 1.00 15.00 C ATOM 602 C PRO B 208 -7.150 3.742 0.365 1.00 15.00 C ATOM 603 O PRO B 208 -7.386 4.212 1.479 1.00 15.00 O ATOM 604 CB PRO B 208 -4.820 4.518 -0.183 1.00 15.00 C ATOM 605 CG PRO B 208 -4.390 5.947 -0.220 1.00 15.00 C ATOM 606 CD PRO B 208 -5.633 6.754 0.008 1.00 15.00 C ATOM 0 HA PRO B 208 -6.435 4.041 -1.595 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.712 4.102 0.819 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.210 3.908 -0.849 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.645 6.151 0.549 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.934 6.193 -1.179 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.831 6.906 1.069 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.567 7.742 -0.448 1.00 15.00 H new ATOM 614 N PRO B 209 -7.619 2.548 -0.028 1.00 15.00 N ATOM 615 CA PRO B 209 -8.482 1.708 0.806 1.00 15.00 C ATOM 616 C PRO B 209 -7.933 1.540 2.219 1.00 15.00 C ATOM 617 O PRO B 209 -6.733 1.336 2.409 1.00 15.00 O ATOM 618 CB PRO B 209 -8.494 0.356 0.074 1.00 15.00 C ATOM 619 CG PRO B 209 -7.464 0.466 -1.003 1.00 15.00 C ATOM 620 CD PRO B 209 -7.363 1.924 -1.325 1.00 15.00 C ATOM 0 HA PRO B 209 -9.472 2.146 0.931 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.260 -0.460 0.757 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.478 0.148 -0.346 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.504 0.072 -0.668 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.755 -0.109 -1.882 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.380 2.187 -1.716 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.095 2.227 -2.074 1.00 15.00 H new ATOM 628 N PRO B 210 -8.819 1.631 3.221 1.00 15.00 N ATOM 629 CA PRO B 210 -8.442 1.550 4.633 1.00 15.00 C ATOM 630 C PRO B 210 -7.539 0.361 4.936 1.00 15.00 C ATOM 631 O PRO B 210 -7.844 -0.774 4.574 1.00 15.00 O ATOM 632 CB PRO B 210 -9.785 1.394 5.347 1.00 15.00 C ATOM 633 CG PRO B 210 -10.767 2.061 4.449 1.00 15.00 C ATOM 634 CD PRO B 210 -10.274 1.818 3.050 1.00 15.00 C ATOM 0 HA PRO B 210 -7.869 2.422 4.948 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.035 0.344 5.497 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.767 1.861 6.332 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.767 1.649 4.588 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.829 3.128 4.662 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.742 0.939 2.607 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.496 2.661 2.395 1.00 15.00 H new ATOM 642 N TYR B 211 -6.438 0.640 5.624 1.00 15.00 N ATOM 643 CA TYR B 211 -5.472 -0.382 6.021 1.00 15.00 C ATOM 644 C TYR B 211 -6.109 -1.420 6.955 1.00 15.00 C ATOM 645 O TYR B 211 -5.523 -2.467 7.239 1.00 15.00 O ATOM 646 CB TYR B 211 -4.262 0.305 6.678 1.00 15.00 C ATOM 647 CG TYR B 211 -3.369 -0.600 7.495 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.574 -1.570 6.900 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.321 -0.470 8.871 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.759 -2.387 7.661 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.511 -1.276 9.640 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.732 -2.234 9.032 1.00 15.00 C ATOM 653 OH TYR B 211 -0.920 -3.041 9.795 1.00 15.00 O ATOM 0 H TYR B 211 -6.188 1.582 5.924 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.137 -0.925 5.137 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.662 0.771 5.897 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.625 1.106 7.321 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.593 -1.688 5.827 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.932 0.279 9.353 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.148 -3.140 7.186 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.487 -1.157 10.713 1.00 15.00 H new ATOM 0 HH TYR B 211 -0.611 -3.798 9.255 1.00 15.00 H new ATOM 663 N SER B 212 -7.324 -1.133 7.408 1.00 15.00 N ATOM 664 CA SER B 212 -8.025 -2.017 8.318 1.00 15.00 C ATOM 665 C SER B 212 -8.223 -3.393 7.677 1.00 15.00 C ATOM 666 O SER B 212 -7.907 -4.411 8.293 1.00 15.00 O ATOM 667 CB SER B 212 -9.372 -1.404 8.721 1.00 15.00 C ATOM 668 OG SER B 212 -9.978 -2.131 9.777 1.00 15.00 O ATOM 0 H SER B 212 -7.842 -0.291 7.156 1.00 15.00 H new ATOM 0 HA SER B 212 -7.423 -2.144 9.218 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.225 -0.369 9.028 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.039 -1.389 7.859 1.00 15.00 H new ATOM 0 HG SER B 212 -10.833 -1.715 10.012 1.00 15.00 H new ATOM 674 N ARG B 213 -8.750 -3.435 6.452 1.00 15.00 N ATOM 675 CA ARG B 213 -8.860 -4.695 5.727 1.00 15.00 C ATOM 676 C ARG B 213 -8.777 -4.484 4.212 1.00 15.00 C ATOM 677 O ARG B 213 -8.937 -3.368 3.725 1.00 15.00 O ATOM 678 CB ARG B 213 -10.125 -5.468 6.101 1.00 15.00 C ATOM 679 CG ARG B 213 -9.994 -6.958 5.803 1.00 15.00 C ATOM 680 CD ARG B 213 -9.159 -7.699 6.849 1.00 15.00 C ATOM 681 NE ARG B 213 -8.046 -6.909 7.375 1.00 15.00 N ATOM 682 CZ ARG B 213 -6.808 -7.375 7.531 1.00 15.00 C ATOM 683 NH1 ARG B 213 -6.507 -8.614 7.166 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -5.869 -6.594 8.045 1.00 15.00 N ATOM 0 H ARG B 213 -9.102 -2.621 5.949 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.007 -5.302 6.029 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.335 -5.328 7.161 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.974 -5.062 5.551 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.988 -7.403 5.756 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.539 -7.089 4.821 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.806 -7.995 7.675 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.767 -8.615 6.407 1.00 15.00 H new ATOM 0 HE ARG B 213 -8.229 -5.941 7.639 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.225 -9.216 6.763 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -5.557 -8.965 7.288 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -6.095 -5.638 8.320 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -4.920 -6.949 8.165 1.00 15.00 H new ATOM 698 N TYR B 214 -8.561 -5.577 3.482 1.00 15.00 N ATOM 699 CA TYR B 214 -8.215 -5.521 2.064 1.00 15.00 C ATOM 700 C TYR B 214 -9.470 -5.541 1.201 1.00 15.00 C ATOM 701 O TYR B 214 -10.298 -6.449 1.321 1.00 15.00 O ATOM 702 CB TYR B 214 -7.327 -6.721 1.672 1.00 15.00 C ATOM 703 CG TYR B 214 -6.150 -6.990 2.596 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.900 -6.184 3.692 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.304 -8.072 2.378 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.858 -6.434 4.544 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.244 -8.331 3.228 1.00 15.00 C ATOM 708 CZ TYR B 214 -4.027 -7.507 4.313 1.00 15.00 C ATOM 709 OH TYR B 214 -2.980 -7.760 5.172 1.00 15.00 O ATOM 0 H TYR B 214 -8.621 -6.524 3.856 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.671 -4.592 1.896 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.949 -7.615 1.634 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.946 -6.555 0.664 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.543 -5.337 3.880 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.477 -8.720 1.532 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.688 -5.791 5.395 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.591 -9.172 3.044 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.492 -8.553 4.868 1.00 15.00 H new ATOM 719 N PRO B 215 -9.614 -4.550 0.314 1.00 15.00 N ATOM 720 CA PRO B 215 -10.750 -4.464 -0.606 1.00 15.00 C ATOM 721 C PRO B 215 -10.686 -5.521 -1.707 1.00 15.00 C ATOM 722 O PRO B 215 -9.781 -5.512 -2.549 1.00 15.00 O ATOM 723 CB PRO B 215 -10.618 -3.060 -1.200 1.00 15.00 C ATOM 724 CG PRO B 215 -9.162 -2.756 -1.112 1.00 15.00 C ATOM 725 CD PRO B 215 -8.676 -3.428 0.140 1.00 15.00 C ATOM 0 HA PRO B 215 -11.700 -4.639 -0.101 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.968 -3.030 -2.232 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.210 -2.335 -0.641 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.631 -3.130 -1.987 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.989 -1.681 -1.070 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.648 -3.776 0.036 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.698 -2.751 0.994 1.00 15.00 H new ATOM 733 N MET B 216 -11.634 -6.444 -1.683 1.00 15.00 N ATOM 734 CA MET B 216 -11.683 -7.514 -2.666 1.00 15.00 C ATOM 735 C MET B 216 -13.124 -7.837 -3.034 1.00 15.00 C ATOM 736 O MET B 216 -13.868 -8.396 -2.228 1.00 15.00 O ATOM 737 CB MET B 216 -10.984 -8.768 -2.130 1.00 15.00 C ATOM 738 CG MET B 216 -11.032 -9.951 -3.085 1.00 15.00 C ATOM 739 SD MET B 216 -10.232 -11.421 -2.415 1.00 15.00 S ATOM 740 CE MET B 216 -8.529 -10.870 -2.325 1.00 15.00 C ATOM 0 H MET B 216 -12.383 -6.473 -0.991 1.00 15.00 H new ATOM 0 HA MET B 216 -11.161 -7.178 -3.562 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.943 -8.529 -1.915 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.447 -9.056 -1.186 1.00 15.00 H new ATOM 0 HG2 MET B 216 -12.071 -10.183 -3.318 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.549 -9.675 -4.023 1.00 15.00 H new ATOM 0 HE1 MET B 216 -7.871 -11.735 -2.241 1.00 15.00 H new ATOM 0 HE2 MET B 216 -8.280 -10.310 -3.226 1.00 15.00 H new ATOM 0 HE3 MET B 216 -8.399 -10.229 -1.453 1.00 15.00 H new ATOM 750 N ASP B 217 -13.518 -7.455 -4.238 1.00 15.00 N ATOM 751 CA ASP B 217 -14.862 -7.726 -4.732 1.00 15.00 C ATOM 752 C ASP B 217 -14.876 -7.681 -6.250 1.00 15.00 C ATOM 753 O ASP B 217 -14.958 -8.756 -6.879 1.00 15.00 O ATOM 754 CB ASP B 217 -15.868 -6.720 -4.167 1.00 15.00 C ATOM 755 CG ASP B 217 -17.257 -6.902 -4.746 1.00 15.00 C ATOM 756 OD1 ASP B 217 -17.903 -7.930 -4.452 1.00 15.00 O ATOM 757 OD2 ASP B 217 -17.718 -6.008 -5.489 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -14.771 -6.575 -6.812 1.00 15.00 O ATOM 0 H ASP B 217 -12.923 -6.953 -4.897 1.00 15.00 H new ATOM 0 HA ASP B 217 -15.154 -8.722 -4.399 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -15.913 -6.825 -3.083 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -15.521 -5.708 -4.375 1.00 15.00 H new TER 763 ASP B 217