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= 0.0576 X(o=-2.1,f=-2.1) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -2.39! USER MOD Set 1.3: B 214 TYR OH : rot 180:sc= 0.192 USER MOD Set 2.1: A 250 ASN : amide:sc= -0.864! C(o=0.78!,f=-3.3!) USER MOD Set 2.2: A 253 ASN : amide:sc= 0.683 K(o=0.78,f=-3.3) USER MOD Set 2.3: A 255 THR OG1 : rot 180:sc= 0.964 USER MOD Single : A 238 GLN : amide:sc= -2.91! C(o=-2.9!,f=-5.3!) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 95:sc= 1.06 USER MOD Single : A 242 GLN : amide:sc= 0.498 K(o=0.5,f=-0.17) USER MOD Single : A 247 TYR OH : rot 90:sc= -1.03 USER MOD Single : A 248 TYR OH : rot -15:sc= -1.02 USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ -161:sc= -0.0477 (180deg=-0.304) USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 SER OG : rot 180:sc=-0.00288 USER MOD Single : B 206 SER OG : rot 39:sc= 0.0822 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 139:sc= -0.183 (180deg=-0.886) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 10.339 -0.720 -6.080 1.00 15.00 N ATOM 2 CA GLY A 230 11.694 -1.137 -5.657 1.00 15.00 C ATOM 3 C GLY A 230 11.695 -1.712 -4.265 1.00 15.00 C ATOM 4 O GLY A 230 10.705 -2.306 -3.845 1.00 15.00 O ATOM 0 HA2 GLY A 230 12.081 -1.878 -6.356 1.00 15.00 H new ATOM 0 HA3 GLY A 230 12.367 -0.280 -5.696 1.00 15.00 H new ATOM 10 N PRO A 231 12.800 -1.568 -3.524 1.00 15.00 N ATOM 11 CA PRO A 231 12.872 -1.985 -2.131 1.00 15.00 C ATOM 12 C PRO A 231 12.177 -0.980 -1.222 1.00 15.00 C ATOM 13 O PRO A 231 12.604 0.171 -1.116 1.00 15.00 O ATOM 14 CB PRO A 231 14.379 -2.036 -1.831 1.00 15.00 C ATOM 15 CG PRO A 231 15.070 -1.738 -3.126 1.00 15.00 C ATOM 16 CD PRO A 231 14.073 -1.008 -3.980 1.00 15.00 C ATOM 0 HA PRO A 231 12.376 -2.940 -1.959 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.649 -1.306 -1.068 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.668 -3.016 -1.451 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.959 -1.130 -2.961 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.398 -2.657 -3.612 1.00 15.00 H new ATOM 0 HD2 PRO A 231 14.120 0.070 -3.828 1.00 15.00 H new ATOM 0 HD3 PRO A 231 14.239 -1.188 -5.042 1.00 15.00 H new ATOM 24 N LEU A 232 11.085 -1.398 -0.599 1.00 15.00 N ATOM 25 CA LEU A 232 10.330 -0.508 0.267 1.00 15.00 C ATOM 26 C LEU A 232 10.925 -0.465 1.667 1.00 15.00 C ATOM 27 O LEU A 232 11.664 -1.369 2.055 1.00 15.00 O ATOM 28 CB LEU A 232 8.835 -0.848 0.359 1.00 15.00 C ATOM 29 CG LEU A 232 7.988 -0.444 -0.844 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.117 1.030 -1.144 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.342 -1.255 -2.074 1.00 15.00 C ATOM 0 H LEU A 232 10.705 -2.341 -0.677 1.00 15.00 H new ATOM 0 HA LEU A 232 10.407 0.473 -0.201 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.734 -1.923 0.506 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.426 -0.365 1.247 1.00 15.00 H new ATOM 0 HG LEU A 232 6.951 -0.653 -0.581 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.500 1.281 -2.007 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.786 1.607 -0.281 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.158 1.267 -1.361 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.718 -0.939 -2.910 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.391 -1.097 -2.324 1.00 15.00 H new ATOM 0 HD23 LEU A 232 8.172 -2.313 -1.874 1.00 15.00 H new ATOM 43 N PRO A 233 10.601 0.583 2.455 1.00 15.00 N ATOM 44 CA PRO A 233 11.121 0.760 3.826 1.00 15.00 C ATOM 45 C PRO A 233 10.756 -0.404 4.760 1.00 15.00 C ATOM 46 O PRO A 233 11.205 -0.447 5.904 1.00 15.00 O ATOM 47 CB PRO A 233 10.447 2.069 4.265 1.00 15.00 C ATOM 48 CG PRO A 233 10.245 2.786 2.980 1.00 15.00 C ATOM 49 CD PRO A 233 9.705 1.712 2.102 1.00 15.00 C ATOM 0 HA PRO A 233 12.210 0.787 3.863 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.503 1.885 4.778 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.076 2.637 4.950 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.547 3.617 3.083 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.177 3.198 2.593 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.659 1.491 2.316 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.766 1.973 1.045 1.00 15.00 H new ATOM 57 N ASP A 234 9.877 -1.289 4.267 1.00 15.00 N ATOM 58 CA ASP A 234 9.494 -2.548 4.939 1.00 15.00 C ATOM 59 C ASP A 234 8.362 -2.335 5.923 1.00 15.00 C ATOM 60 O ASP A 234 7.996 -3.240 6.672 1.00 15.00 O ATOM 61 CB ASP A 234 10.675 -3.225 5.650 1.00 15.00 C ATOM 62 CG ASP A 234 11.703 -3.793 4.694 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.382 -4.753 3.961 1.00 15.00 O ATOM 64 OD2 ASP A 234 12.850 -3.302 4.693 1.00 15.00 O1- ATOM 0 H ASP A 234 9.402 -1.151 3.375 1.00 15.00 H new ATOM 0 HA ASP A 234 9.155 -3.214 4.145 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.159 -2.501 6.305 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.297 -4.027 6.285 1.00 15.00 H new ATOM 69 N GLY A 235 7.777 -1.157 5.887 1.00 15.00 N ATOM 70 CA GLY A 235 6.569 -0.926 6.642 1.00 15.00 C ATOM 71 C GLY A 235 5.353 -1.312 5.834 1.00 15.00 C ATOM 72 O GLY A 235 4.358 -1.802 6.370 1.00 15.00 O ATOM 0 H GLY A 235 8.113 -0.357 5.351 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.596 -1.503 7.566 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.506 0.125 6.924 1.00 15.00 H new ATOM 76 N TRP A 236 5.466 -1.136 4.525 1.00 15.00 N ATOM 77 CA TRP A 236 4.356 -1.338 3.619 1.00 15.00 C ATOM 78 C TRP A 236 4.652 -2.287 2.471 1.00 15.00 C ATOM 79 O TRP A 236 5.763 -2.336 1.940 1.00 15.00 O ATOM 80 CB TRP A 236 3.807 -0.003 3.107 1.00 15.00 C ATOM 81 CG TRP A 236 4.785 1.140 3.011 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.141 1.112 2.805 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.437 2.522 3.152 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.637 2.389 2.819 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.615 3.270 3.030 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.234 3.196 3.371 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.630 4.660 3.127 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.246 4.573 3.464 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.438 5.293 3.344 1.00 15.00 C ATOM 0 H TRP A 236 6.331 -0.849 4.066 1.00 15.00 H new ATOM 0 HA TRP A 236 3.585 -1.831 4.212 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.379 -0.168 2.118 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.990 0.302 3.761 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.729 0.218 2.655 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.617 2.642 2.692 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.308 2.648 3.466 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.550 5.217 3.034 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.320 5.102 3.632 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.417 6.370 3.424 1.00 15.00 H new ATOM 100 N GLU A 237 3.603 -3.010 2.085 1.00 15.00 N ATOM 101 CA GLU A 237 3.670 -4.044 1.072 1.00 15.00 C ATOM 102 C GLU A 237 2.694 -3.658 -0.045 1.00 15.00 C ATOM 103 O GLU A 237 1.611 -3.146 0.239 1.00 15.00 O ATOM 104 CB GLU A 237 3.254 -5.370 1.721 1.00 15.00 C ATOM 105 CG GLU A 237 3.903 -6.617 1.131 1.00 15.00 C ATOM 106 CD GLU A 237 3.765 -6.736 -0.370 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.649 -6.224 -1.093 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 2.788 -7.349 -0.835 1.00 15.00 O ATOM 0 H GLU A 237 2.670 -2.887 2.478 1.00 15.00 H new ATOM 0 HA GLU A 237 4.673 -4.150 0.658 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.492 -5.325 2.784 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.172 -5.471 1.640 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.962 -6.618 1.389 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.461 -7.498 1.596 1.00 15.00 H new ATOM 115 N GLN A 238 3.056 -3.916 -1.290 1.00 15.00 N ATOM 116 CA GLN A 238 2.253 -3.477 -2.427 1.00 15.00 C ATOM 117 C GLN A 238 1.217 -4.543 -2.808 1.00 15.00 C ATOM 118 O GLN A 238 1.566 -5.576 -3.379 1.00 15.00 O ATOM 119 CB GLN A 238 3.173 -3.179 -3.613 1.00 15.00 C ATOM 120 CG GLN A 238 2.468 -2.649 -4.850 1.00 15.00 C ATOM 121 CD GLN A 238 3.421 -2.507 -6.024 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.262 -1.633 -6.875 1.00 15.00 O ATOM 123 NE2 GLN A 238 4.420 -3.376 -6.080 1.00 15.00 N ATOM 0 H GLN A 238 3.901 -4.428 -1.543 1.00 15.00 H new ATOM 0 HA GLN A 238 1.714 -2.571 -2.151 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.922 -2.452 -3.300 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.706 -4.092 -3.879 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.655 -3.322 -5.121 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.020 -1.681 -4.626 1.00 15.00 H new ATOM 0 HE21 GLN A 238 4.519 -4.087 -5.355 1.00 15.00 H new ATOM 0 HE22 GLN A 238 5.090 -3.334 -6.848 1.00 15.00 H new ATOM 132 N ALA A 239 -0.049 -4.304 -2.472 1.00 15.00 N ATOM 133 CA ALA A 239 -1.114 -5.254 -2.768 1.00 15.00 C ATOM 134 C ALA A 239 -1.966 -4.759 -3.932 1.00 15.00 C ATOM 135 O ALA A 239 -2.103 -3.556 -4.138 1.00 15.00 O ATOM 136 CB ALA A 239 -1.976 -5.482 -1.534 1.00 15.00 C ATOM 0 H ALA A 239 -0.361 -3.459 -1.994 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.661 -6.203 -3.055 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.767 -6.194 -1.769 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.359 -5.879 -0.728 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.419 -4.537 -1.220 1.00 15.00 H new ATOM 142 N MET A 240 -2.527 -5.686 -4.693 1.00 15.00 N ATOM 143 CA MET A 240 -3.313 -5.335 -5.873 1.00 15.00 C ATOM 144 C MET A 240 -4.806 -5.530 -5.616 1.00 15.00 C ATOM 145 O MET A 240 -5.226 -6.577 -5.120 1.00 15.00 O ATOM 146 CB MET A 240 -2.887 -6.194 -7.075 1.00 15.00 C ATOM 147 CG MET A 240 -1.429 -6.025 -7.487 1.00 15.00 C ATOM 148 SD MET A 240 -0.276 -6.834 -6.359 1.00 15.00 S ATOM 149 CE MET A 240 1.292 -6.368 -7.085 1.00 15.00 C ATOM 0 H MET A 240 -2.454 -6.688 -4.517 1.00 15.00 H new ATOM 0 HA MET A 240 -3.129 -4.284 -6.094 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.065 -7.243 -6.837 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.523 -5.947 -7.925 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.292 -6.430 -8.490 1.00 15.00 H new ATOM 0 HG3 MET A 240 -1.193 -4.962 -7.538 1.00 15.00 H new ATOM 0 HE1 MET A 240 2.106 -6.794 -6.498 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.346 -6.744 -8.107 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.381 -5.282 -7.093 1.00 15.00 H new ATOM 159 N THR A 241 -5.606 -4.527 -5.964 1.00 15.00 N ATOM 160 CA THR A 241 -7.054 -4.646 -5.867 1.00 15.00 C ATOM 161 C THR A 241 -7.699 -4.499 -7.247 1.00 15.00 C ATOM 162 O THR A 241 -7.193 -3.767 -8.112 1.00 15.00 O ATOM 163 CB THR A 241 -7.663 -3.619 -4.882 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.062 -3.874 -4.713 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.463 -2.188 -5.362 1.00 15.00 C ATOM 0 H THR A 241 -5.277 -3.627 -6.314 1.00 15.00 H new ATOM 0 HA THR A 241 -7.266 -5.641 -5.475 1.00 15.00 H new ATOM 0 HB THR A 241 -7.146 -3.731 -3.929 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.199 -4.432 -3.919 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.905 -1.498 -4.643 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.397 -1.981 -5.456 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.944 -2.059 -6.331 1.00 15.00 H new ATOM 173 N GLN A 242 -8.828 -5.187 -7.434 1.00 15.00 N ATOM 174 CA GLN A 242 -9.501 -5.265 -8.731 1.00 15.00 C ATOM 175 C GLN A 242 -10.043 -3.903 -9.169 1.00 15.00 C ATOM 176 O GLN A 242 -10.486 -3.739 -10.306 1.00 15.00 O ATOM 177 CB GLN A 242 -10.623 -6.310 -8.702 1.00 15.00 C ATOM 178 CG GLN A 242 -11.174 -6.638 -10.085 1.00 15.00 C ATOM 179 CD GLN A 242 -12.096 -7.841 -10.098 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.160 -8.571 -11.088 1.00 15.00 O ATOM 181 NE2 GLN A 242 -12.839 -8.046 -9.024 1.00 15.00 N ATOM 0 H GLN A 242 -9.300 -5.704 -6.692 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.758 -5.576 -9.466 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.248 -7.224 -8.241 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.434 -5.945 -8.072 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.714 -5.772 -10.467 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.342 -6.820 -10.765 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -12.760 -7.421 -8.222 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -13.492 -8.829 -8.997 1.00 15.00 H new ATOM 190 N ASP A 243 -10.017 -2.928 -8.261 1.00 15.00 N ATOM 191 CA ASP A 243 -10.382 -1.550 -8.601 1.00 15.00 C ATOM 192 C ASP A 243 -9.417 -0.990 -9.656 1.00 15.00 C ATOM 193 O ASP A 243 -9.636 0.084 -10.216 1.00 15.00 O ATOM 194 CB ASP A 243 -10.383 -0.667 -7.345 1.00 15.00 C ATOM 195 CG ASP A 243 -10.875 0.749 -7.610 1.00 15.00 C ATOM 196 OD1 ASP A 243 -11.967 0.905 -8.200 1.00 15.00 O ATOM 197 OD2 ASP A 243 -10.182 1.712 -7.215 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.748 -3.064 -7.287 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.389 -1.549 -9.018 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.014 -1.128 -6.585 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.373 -0.624 -6.938 1.00 15.00 H new ATOM 202 N GLY A 244 -8.356 -1.748 -9.928 1.00 15.00 N ATOM 203 CA GLY A 244 -7.411 -1.383 -10.964 1.00 15.00 C ATOM 204 C GLY A 244 -6.210 -0.635 -10.430 1.00 15.00 C ATOM 205 O GLY A 244 -5.496 0.019 -11.190 1.00 15.00 O ATOM 0 H GLY A 244 -8.135 -2.617 -9.442 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -7.073 -2.285 -11.474 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.915 -0.766 -11.708 1.00 15.00 H new ATOM 209 N GLU A 245 -5.965 -0.753 -9.133 1.00 15.00 N ATOM 210 CA GLU A 245 -4.929 0.032 -8.479 1.00 15.00 C ATOM 211 C GLU A 245 -4.177 -0.821 -7.467 1.00 15.00 C ATOM 212 O GLU A 245 -4.742 -1.748 -6.883 1.00 15.00 O ATOM 213 CB GLU A 245 -5.545 1.237 -7.761 1.00 15.00 C ATOM 214 CG GLU A 245 -6.261 2.225 -8.673 1.00 15.00 C ATOM 215 CD GLU A 245 -5.331 2.899 -9.660 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.308 3.472 -9.230 1.00 15.00 O ATOM 217 OE2 GLU A 245 -5.626 2.881 -10.872 1.00 15.00 O1- ATOM 0 H GLU A 245 -6.470 -1.386 -8.513 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.236 0.382 -9.244 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.252 0.875 -7.014 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.757 1.765 -7.224 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -7.046 1.703 -9.220 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.749 2.986 -8.064 1.00 15.00 H new ATOM 224 N ILE A 246 -2.909 -0.508 -7.256 1.00 15.00 N ATOM 225 CA ILE A 246 -2.134 -1.164 -6.217 1.00 15.00 C ATOM 226 C ILE A 246 -1.981 -0.226 -5.026 1.00 15.00 C ATOM 227 O ILE A 246 -1.872 0.985 -5.197 1.00 15.00 O ATOM 228 CB ILE A 246 -0.736 -1.635 -6.705 1.00 15.00 C ATOM 229 CG1 ILE A 246 0.221 -0.454 -6.952 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.875 -2.484 -7.962 1.00 15.00 C ATOM 231 CD1 ILE A 246 -0.093 0.385 -8.175 1.00 15.00 C ATOM 0 H ILE A 246 -2.396 0.194 -7.789 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.682 -2.061 -5.926 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.299 -2.241 -5.911 1.00 15.00 H new ATOM 0 HG12 ILE A 246 0.209 0.193 -6.075 1.00 15.00 H new ATOM 0 HG13 ILE A 246 1.235 -0.842 -7.048 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.112 -2.808 -8.293 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.489 -3.358 -7.745 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.347 -1.895 -8.748 1.00 15.00 H new ATOM 0 HD11 ILE A 246 0.637 1.190 -8.261 1.00 15.00 H new ATOM 0 HD12 ILE A 246 -0.050 -0.241 -9.066 1.00 15.00 H new ATOM 0 HD13 ILE A 246 -1.092 0.810 -8.078 1.00 15.00 H new ATOM 243 N TYR A 247 -1.999 -0.781 -3.827 1.00 15.00 N ATOM 244 CA TYR A 247 -1.942 0.026 -2.621 1.00 15.00 C ATOM 245 C TYR A 247 -0.945 -0.571 -1.617 1.00 15.00 C ATOM 246 O TYR A 247 -0.886 -1.792 -1.447 1.00 15.00 O ATOM 247 CB TYR A 247 -3.340 0.140 -1.982 1.00 15.00 C ATOM 248 CG TYR A 247 -3.957 -1.182 -1.559 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.405 -2.098 -2.504 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.095 -1.511 -0.213 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.967 -3.300 -2.124 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.658 -2.714 0.175 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.090 -3.604 -0.786 1.00 15.00 C ATOM 254 OH TYR A 247 -5.649 -4.803 -0.409 1.00 15.00 O ATOM 0 H TYR A 247 -2.053 -1.786 -3.663 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.601 1.025 -2.894 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.273 0.789 -1.109 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.010 0.627 -2.691 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.312 -1.865 -3.554 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.757 -0.815 0.541 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.309 -3.999 -2.873 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.758 -2.954 1.223 1.00 15.00 H new ATOM 0 HH TYR A 247 -4.946 -5.482 -0.333 1.00 15.00 H new ATOM 264 N TYR A 248 -0.176 0.284 -0.950 1.00 15.00 N ATOM 265 CA TYR A 248 0.775 -0.154 0.054 1.00 15.00 C ATOM 266 C TYR A 248 0.138 -0.165 1.438 1.00 15.00 C ATOM 267 O TYR A 248 -0.326 0.865 1.933 1.00 15.00 O ATOM 268 CB TYR A 248 2.005 0.757 0.060 1.00 15.00 C ATOM 269 CG TYR A 248 3.005 0.422 -1.015 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.867 0.908 -2.309 1.00 15.00 C ATOM 271 CD2 TYR A 248 4.087 -0.395 -0.737 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.780 0.585 -3.292 1.00 15.00 C ATOM 273 CE2 TYR A 248 5.003 -0.716 -1.712 1.00 15.00 C ATOM 274 CZ TYR A 248 4.845 -0.224 -2.988 1.00 15.00 C ATOM 275 OH TYR A 248 5.753 -0.556 -3.966 1.00 15.00 O ATOM 0 H TYR A 248 -0.197 1.294 -1.092 1.00 15.00 H new ATOM 0 HA TYR A 248 1.083 -1.169 -0.197 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.682 1.791 -0.064 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.493 0.690 1.033 1.00 15.00 H new ATOM 0 HD1 TYR A 248 2.032 1.549 -2.550 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.214 -0.787 0.261 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.657 0.967 -4.295 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.844 -1.352 -1.477 1.00 15.00 H new ATOM 0 HH TYR A 248 5.377 -0.345 -4.846 1.00 15.00 H new ATOM 285 N ILE A 249 0.112 -1.336 2.050 1.00 15.00 N ATOM 286 CA ILE A 249 -0.386 -1.487 3.404 1.00 15.00 C ATOM 287 C ILE A 249 0.750 -1.304 4.409 1.00 15.00 C ATOM 288 O ILE A 249 1.602 -2.182 4.566 1.00 15.00 O ATOM 289 CB ILE A 249 -1.039 -2.875 3.596 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.161 -3.963 2.961 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.441 -2.886 3.001 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.720 -5.365 3.066 1.00 15.00 C ATOM 0 H ILE A 249 0.434 -2.205 1.624 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.142 -0.721 3.576 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.124 -3.084 4.662 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.013 -3.723 1.908 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.821 -3.941 3.434 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -2.889 -3.869 3.143 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.053 -2.133 3.498 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.386 -2.663 1.935 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.034 -6.067 2.591 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -0.841 -5.631 4.116 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.688 -5.409 2.566 1.00 15.00 H new ATOM 304 N ASN A 250 0.774 -0.157 5.082 1.00 15.00 N ATOM 305 CA ASN A 250 1.855 0.144 6.011 1.00 15.00 C ATOM 306 C ASN A 250 1.508 -0.362 7.419 1.00 15.00 C ATOM 307 O ASN A 250 0.646 0.217 8.080 1.00 15.00 O ATOM 308 CB ASN A 250 2.131 1.645 6.056 1.00 15.00 C ATOM 309 CG ASN A 250 3.261 2.003 7.003 1.00 15.00 C ATOM 310 OD1 ASN A 250 4.119 1.177 7.317 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.277 3.240 7.454 1.00 15.00 N ATOM 0 H ASN A 250 0.065 0.571 5.002 1.00 15.00 H new ATOM 0 HA ASN A 250 2.752 -0.365 5.659 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.377 1.995 5.054 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.225 2.168 6.363 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.018 3.543 8.086 1.00 15.00 H new ATOM 0 HD22 ASN A 250 2.548 3.895 7.171 1.00 15.00 H new ATOM 318 N HIS A 251 2.168 -1.438 7.885 1.00 15.00 N ATOM 319 CA HIS A 251 1.807 -2.074 9.141 1.00 15.00 C ATOM 320 C HIS A 251 2.501 -1.397 10.314 1.00 15.00 C ATOM 321 O HIS A 251 2.156 -1.630 11.472 1.00 15.00 O ATOM 322 CB HIS A 251 2.192 -3.562 9.108 1.00 15.00 C ATOM 323 CG HIS A 251 1.537 -4.343 8.004 1.00 15.00 C ATOM 324 ND1 HIS A 251 2.105 -4.513 6.756 1.00 15.00 N ATOM 325 CD2 HIS A 251 0.355 -5.006 7.966 1.00 15.00 C ATOM 326 CE1 HIS A 251 1.299 -5.241 6.005 1.00 15.00 C ATOM 327 NE2 HIS A 251 0.232 -5.553 6.713 1.00 15.00 N ATOM 0 H HIS A 251 2.952 -1.877 7.402 1.00 15.00 H new ATOM 0 HA HIS A 251 0.729 -1.978 9.271 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.274 -3.644 9.003 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.929 -4.015 10.064 1.00 15.00 H new ATOM 0 HD2 HIS A 251 -0.358 -5.089 8.773 1.00 15.00 H new ATOM 0 HE1 HIS A 251 1.483 -5.532 4.981 1.00 15.00 H new ATOM 0 HE2 HIS A 251 -0.556 -6.110 6.384 1.00 15.00 H new ATOM 336 N LYS A 252 3.488 -0.565 10.013 1.00 15.00 N ATOM 337 CA LYS A 252 4.275 0.073 11.059 1.00 15.00 C ATOM 338 C LYS A 252 3.608 1.348 11.557 1.00 15.00 C ATOM 339 O LYS A 252 3.674 1.665 12.744 1.00 15.00 O ATOM 340 CB LYS A 252 5.697 0.364 10.572 1.00 15.00 C ATOM 341 CG LYS A 252 6.482 -0.889 10.212 1.00 15.00 C ATOM 342 CD LYS A 252 6.647 -1.815 11.412 1.00 15.00 C ATOM 343 CE LYS A 252 7.528 -1.194 12.488 1.00 15.00 C ATOM 344 NZ LYS A 252 7.608 -2.043 13.708 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.761 -0.317 9.062 1.00 15.00 H new ATOM 0 HA LYS A 252 4.334 -0.623 11.896 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.648 1.016 9.700 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.234 0.910 11.348 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.971 -1.421 9.410 1.00 15.00 H new ATOM 0 HG3 LYS A 252 7.464 -0.607 9.832 1.00 15.00 H new ATOM 0 HD2 LYS A 252 5.668 -2.044 11.832 1.00 15.00 H new ATOM 0 HD3 LYS A 252 7.083 -2.759 11.085 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.530 -1.038 12.089 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.135 -0.213 12.755 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 8.218 -1.581 14.413 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 6.655 -2.171 14.105 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.007 -2.971 13.460 1.00 15.00 H new ATOM 358 N ASN A 253 2.976 2.084 10.651 1.00 15.00 N ATOM 359 CA ASN A 253 2.295 3.320 11.026 1.00 15.00 C ATOM 360 C ASN A 253 0.789 3.182 10.862 1.00 15.00 C ATOM 361 O ASN A 253 0.039 4.096 11.212 1.00 15.00 O ATOM 362 CB ASN A 253 2.797 4.507 10.195 1.00 15.00 C ATOM 363 CG ASN A 253 4.293 4.722 10.321 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.075 4.151 9.561 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.696 5.555 11.267 1.00 15.00 N ATOM 0 H ASN A 253 2.920 1.851 9.660 1.00 15.00 H new ATOM 0 HA ASN A 253 2.522 3.509 12.075 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.545 4.343 9.147 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.277 5.411 10.511 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.691 5.746 11.389 1.00 15.00 H new ATOM 0 HD22 ASN A 253 4.012 6.006 11.874 1.00 15.00 H new ATOM 372 N LYS A 254 0.353 2.041 10.315 1.00 15.00 N ATOM 373 CA LYS A 254 -1.074 1.755 10.146 1.00 15.00 C ATOM 374 C LYS A 254 -1.692 2.745 9.145 1.00 15.00 C ATOM 375 O LYS A 254 -2.858 3.131 9.250 1.00 15.00 O ATOM 376 CB LYS A 254 -1.755 1.809 11.528 1.00 15.00 C ATOM 377 CG LYS A 254 -3.206 1.359 11.560 1.00 15.00 C ATOM 378 CD LYS A 254 -3.690 1.199 12.989 1.00 15.00 C ATOM 379 CE LYS A 254 -5.203 1.098 13.069 1.00 15.00 C ATOM 380 NZ LYS A 254 -5.861 2.374 12.688 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.970 1.301 9.982 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.223 0.757 9.734 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.185 1.188 12.219 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.702 2.832 11.900 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.829 2.087 11.040 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.310 0.413 11.028 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -3.243 0.305 13.425 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.351 2.047 13.584 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -5.549 0.300 12.412 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.496 0.826 14.083 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -6.836 2.384 13.051 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -5.332 3.172 13.094 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.877 2.461 11.652 1.00 15.00 H new ATOM 394 N THR A 255 -0.910 3.091 8.126 1.00 15.00 N ATOM 395 CA THR A 255 -1.297 4.116 7.159 1.00 15.00 C ATOM 396 C THR A 255 -1.361 3.550 5.735 1.00 15.00 C ATOM 397 O THR A 255 -0.665 2.586 5.413 1.00 15.00 O ATOM 398 CB THR A 255 -0.326 5.316 7.193 1.00 15.00 C ATOM 399 OG1 THR A 255 1.028 4.865 7.064 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.477 6.109 8.481 1.00 15.00 C ATOM 0 H THR A 255 0.003 2.673 7.947 1.00 15.00 H new ATOM 0 HA THR A 255 -2.292 4.458 7.445 1.00 15.00 H new ATOM 0 HB THR A 255 -0.573 5.967 6.354 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.633 5.636 7.086 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.220 6.947 8.476 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.497 6.485 8.559 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.262 5.464 9.333 1.00 15.00 H new ATOM 408 N THR A 256 -2.226 4.114 4.892 1.00 15.00 N ATOM 409 CA THR A 256 -2.349 3.652 3.515 1.00 15.00 C ATOM 410 C THR A 256 -1.783 4.683 2.533 1.00 15.00 C ATOM 411 O THR A 256 -2.007 5.885 2.681 1.00 15.00 O ATOM 412 CB THR A 256 -3.820 3.363 3.163 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.502 2.891 4.334 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.907 2.304 2.072 1.00 15.00 C ATOM 0 H THR A 256 -2.846 4.885 5.138 1.00 15.00 H new ATOM 0 HA THR A 256 -1.773 2.731 3.429 1.00 15.00 H new ATOM 0 HB THR A 256 -4.284 4.281 2.803 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.439 2.707 4.115 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.953 2.111 1.835 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.392 2.658 1.179 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.438 1.384 2.420 1.00 15.00 H new ATOM 422 N SER A 257 -1.027 4.207 1.553 1.00 15.00 N ATOM 423 CA SER A 257 -0.482 5.055 0.496 1.00 15.00 C ATOM 424 C SER A 257 -0.353 4.230 -0.781 1.00 15.00 C ATOM 425 O SER A 257 -0.056 3.050 -0.713 1.00 15.00 O ATOM 426 CB SER A 257 0.877 5.620 0.924 1.00 15.00 C ATOM 427 OG SER A 257 0.746 6.395 2.108 1.00 15.00 O ATOM 0 H SER A 257 -0.773 3.223 1.466 1.00 15.00 H new ATOM 0 HA SER A 257 -1.150 5.896 0.311 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.579 4.804 1.093 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.289 6.235 0.124 1.00 15.00 H new ATOM 0 HG SER A 257 1.623 6.746 2.368 1.00 15.00 H new ATOM 433 N TRP A 258 -0.551 4.853 -1.935 1.00 15.00 N ATOM 434 CA TRP A 258 -0.677 4.113 -3.191 1.00 15.00 C ATOM 435 C TRP A 258 0.637 3.499 -3.672 1.00 15.00 C ATOM 436 O TRP A 258 0.750 2.284 -3.804 1.00 15.00 O ATOM 437 CB TRP A 258 -1.212 5.021 -4.297 1.00 15.00 C ATOM 438 CG TRP A 258 -2.661 5.364 -4.169 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.195 6.583 -3.871 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.769 4.476 -4.356 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.564 6.506 -3.867 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.942 5.224 -4.161 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.883 3.120 -4.671 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.211 4.664 -4.274 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.142 2.566 -4.782 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.290 3.335 -4.585 1.00 15.00 C ATOM 0 H TRP A 258 -0.628 5.866 -2.031 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.371 3.299 -2.981 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.632 5.944 -4.304 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.050 4.535 -5.259 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.624 7.477 -3.668 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.199 7.281 -3.675 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.001 2.516 -4.825 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.100 5.257 -4.122 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.241 1.519 -5.026 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.260 2.871 -4.680 1.00 15.00 H new ATOM 457 N LEU A 259 1.616 4.347 -3.946 1.00 15.00 N ATOM 458 CA LEU A 259 2.781 3.950 -4.725 1.00 15.00 C ATOM 459 C LEU A 259 4.097 4.101 -3.978 1.00 15.00 C ATOM 460 O LEU A 259 4.187 4.821 -2.984 1.00 15.00 O ATOM 461 CB LEU A 259 2.817 4.673 -6.062 1.00 15.00 C ATOM 462 CG LEU A 259 1.941 4.017 -7.128 1.00 15.00 C ATOM 463 CD1 LEU A 259 1.999 4.787 -8.433 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.380 2.572 -7.340 1.00 15.00 C ATOM 0 H LEU A 259 1.628 5.320 -3.639 1.00 15.00 H new ATOM 0 HA LEU A 259 2.669 2.882 -4.910 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.492 5.704 -5.919 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.846 4.710 -6.420 1.00 15.00 H new ATOM 0 HG LEU A 259 0.908 4.029 -6.781 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.366 4.297 -9.173 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.646 5.805 -8.271 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.027 4.813 -8.795 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.752 2.109 -8.101 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.420 2.552 -7.666 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.282 2.021 -6.405 1.00 15.00 H new ATOM 476 N ASP A 260 5.105 3.393 -4.492 1.00 15.00 N ATOM 477 CA ASP A 260 6.409 3.245 -3.847 1.00 15.00 C ATOM 478 C ASP A 260 7.069 4.604 -3.640 1.00 15.00 C ATOM 479 O ASP A 260 7.414 5.306 -4.592 1.00 15.00 O ATOM 480 CB ASP A 260 7.297 2.367 -4.748 1.00 15.00 C ATOM 481 CG ASP A 260 8.686 2.082 -4.191 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.257 2.939 -3.489 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 9.216 0.988 -4.475 1.00 15.00 O ATOM 0 H ASP A 260 5.036 2.899 -5.382 1.00 15.00 H new ATOM 0 HA ASP A 260 6.280 2.781 -2.869 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.789 1.419 -4.922 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.402 2.855 -5.717 1.00 15.00 H new ATOM 488 N PRO A 261 7.233 4.982 -2.364 1.00 15.00 N ATOM 489 CA PRO A 261 7.789 6.270 -1.974 1.00 15.00 C ATOM 490 C PRO A 261 9.308 6.305 -2.047 1.00 15.00 C ATOM 491 O PRO A 261 9.919 7.374 -2.103 1.00 15.00 O ATOM 492 CB PRO A 261 7.320 6.409 -0.529 1.00 15.00 C ATOM 493 CG PRO A 261 7.270 5.010 -0.015 1.00 15.00 C ATOM 494 CD PRO A 261 6.883 4.156 -1.191 1.00 15.00 C ATOM 0 HA PRO A 261 7.466 7.075 -2.634 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.008 7.021 0.054 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.342 6.887 -0.474 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.236 4.706 0.388 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.544 4.916 0.793 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.425 3.210 -1.193 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.820 3.914 -1.176 1.00 15.00 H new ATOM 502 N ARG A 262 9.912 5.130 -2.037 1.00 15.00 N ATOM 503 CA ARG A 262 11.353 5.012 -1.982 1.00 15.00 C ATOM 504 C ARG A 262 11.956 5.230 -3.370 1.00 15.00 C ATOM 505 O ARG A 262 13.148 5.492 -3.510 1.00 15.00 O ATOM 506 CB ARG A 262 11.734 3.645 -1.362 1.00 15.00 C ATOM 507 CG ARG A 262 13.233 3.343 -1.314 1.00 15.00 C ATOM 508 CD ARG A 262 13.752 2.766 -2.623 1.00 15.00 C ATOM 509 NE ARG A 262 15.210 2.651 -2.636 1.00 15.00 N ATOM 510 CZ ARG A 262 16.009 3.399 -3.399 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.503 4.384 -4.124 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 17.317 3.182 -3.419 1.00 15.00 N ATOM 0 H ARG A 262 9.419 4.238 -2.067 1.00 15.00 H new ATOM 0 HA ARG A 262 11.771 5.787 -1.340 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.339 3.602 -0.347 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.239 2.857 -1.930 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.778 4.258 -1.083 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.433 2.640 -0.506 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.310 1.783 -2.785 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.432 3.400 -3.450 1.00 15.00 H new ATOM 0 HE ARG A 262 15.642 1.957 -2.025 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.501 4.572 -4.100 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.115 4.955 -4.707 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.719 2.439 -2.848 1.00 15.00 H new ATOM 0 HH22 ARG A 262 17.921 3.758 -4.005 1.00 15.00 H new ATOM 526 N LEU A 263 11.127 5.131 -4.400 1.00 15.00 N ATOM 527 CA LEU A 263 11.591 5.329 -5.770 1.00 15.00 C ATOM 528 C LEU A 263 11.714 6.808 -6.132 1.00 15.00 C ATOM 529 O LEU A 263 12.270 7.146 -7.176 1.00 15.00 O ATOM 530 CB LEU A 263 10.662 4.633 -6.768 1.00 15.00 C ATOM 531 CG LEU A 263 10.666 3.106 -6.707 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.735 2.533 -7.762 1.00 15.00 C ATOM 533 CD2 LEU A 263 12.077 2.563 -6.883 1.00 15.00 C ATOM 0 H LEU A 263 10.134 4.916 -4.316 1.00 15.00 H new ATOM 0 HA LEU A 263 12.584 4.884 -5.828 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.644 4.984 -6.598 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.942 4.941 -7.776 1.00 15.00 H new ATOM 0 HG LEU A 263 10.306 2.799 -5.725 1.00 15.00 H new ATOM 0 HD11 LEU A 263 9.748 1.444 -7.706 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.721 2.893 -7.587 1.00 15.00 H new ATOM 0 HD13 LEU A 263 10.067 2.850 -8.751 1.00 15.00 H new ATOM 0 HD21 LEU A 263 12.056 1.474 -6.836 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.470 2.877 -7.850 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.717 2.948 -6.089 1.00 15.00 H new ATOM 545 N ASP A 264 11.176 7.688 -5.292 1.00 15.00 N ATOM 546 CA ASP A 264 11.230 9.127 -5.572 1.00 15.00 C ATOM 547 C ASP A 264 12.666 9.679 -5.641 1.00 15.00 C ATOM 548 O ASP A 264 12.993 10.398 -6.584 1.00 15.00 O ATOM 549 CB ASP A 264 10.400 9.929 -4.563 1.00 15.00 C ATOM 550 CG ASP A 264 10.460 11.424 -4.827 1.00 15.00 C ATOM 551 OD1 ASP A 264 9.858 11.885 -5.822 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 11.115 12.146 -4.049 1.00 15.00 O ATOM 0 H ASP A 264 10.703 7.439 -4.423 1.00 15.00 H new ATOM 0 HA ASP A 264 10.793 9.249 -6.563 1.00 15.00 H new ATOM 0 HB2 ASP A 264 9.363 9.596 -4.603 1.00 15.00 H new ATOM 0 HB3 ASP A 264 10.761 9.725 -3.555 1.00 15.00 H new ATOM 557 N PRO A 265 13.531 9.399 -4.642 1.00 15.00 N ATOM 558 CA PRO A 265 14.944 9.798 -4.683 1.00 15.00 C ATOM 559 C PRO A 265 15.672 9.254 -5.914 1.00 15.00 C ATOM 560 O PRO A 265 15.898 10.037 -6.862 1.00 15.00 O ATOM 561 CB PRO A 265 15.542 9.208 -3.398 1.00 15.00 C ATOM 562 CG PRO A 265 14.534 8.226 -2.905 1.00 15.00 C ATOM 563 CD PRO A 265 13.203 8.725 -3.383 1.00 15.00 C ATOM 564 OXT PRO A 265 16.018 8.055 -5.934 1.00 15.00 O ATOM 0 HA PRO A 265 15.048 10.881 -4.748 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.498 8.723 -3.596 1.00 15.00 H new ATOM 0 HB3 PRO A 265 15.727 9.986 -2.658 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.739 7.228 -3.293 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.557 8.156 -1.817 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.498 7.908 -3.535 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.748 9.409 -2.666 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -8.223 9.409 -6.088 1.00 15.00 N ATOM 574 CA SER B 206 -8.814 8.296 -5.319 1.00 15.00 C ATOM 575 C SER B 206 -8.075 8.098 -3.996 1.00 15.00 C ATOM 576 O SER B 206 -6.861 7.918 -3.982 1.00 15.00 O ATOM 577 CB SER B 206 -8.753 7.007 -6.144 1.00 15.00 C ATOM 578 OG SER B 206 -9.434 7.156 -7.381 1.00 15.00 O ATOM 0 HA SER B 206 -9.854 8.540 -5.101 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.713 6.739 -6.329 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.197 6.188 -5.578 1.00 15.00 H new ATOM 0 HG SER B 206 -9.268 8.053 -7.740 1.00 15.00 H new ATOM 586 N PRO B 207 -8.794 8.148 -2.865 1.00 15.00 N ATOM 587 CA PRO B 207 -8.227 7.825 -1.552 1.00 15.00 C ATOM 588 C PRO B 207 -7.992 6.321 -1.425 1.00 15.00 C ATOM 589 O PRO B 207 -8.818 5.528 -1.880 1.00 15.00 O ATOM 590 CB PRO B 207 -9.310 8.284 -0.560 1.00 15.00 C ATOM 591 CG PRO B 207 -10.301 9.058 -1.368 1.00 15.00 C ATOM 592 CD PRO B 207 -10.207 8.527 -2.767 1.00 15.00 C ATOM 0 HA PRO B 207 -7.263 8.304 -1.380 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.783 7.430 -0.075 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.881 8.902 0.229 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.309 8.933 -0.971 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.077 10.124 -1.341 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.868 7.675 -2.923 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.478 9.280 -3.507 1.00 15.00 H new ATOM 600 N PRO B 208 -6.881 5.896 -0.801 1.00 15.00 N ATOM 601 CA PRO B 208 -6.533 4.482 -0.705 1.00 15.00 C ATOM 602 C PRO B 208 -7.412 3.759 0.311 1.00 15.00 C ATOM 603 O PRO B 208 -7.615 4.250 1.425 1.00 15.00 O ATOM 604 CB PRO B 208 -5.061 4.497 -0.250 1.00 15.00 C ATOM 605 CG PRO B 208 -4.637 5.929 -0.302 1.00 15.00 C ATOM 606 CD PRO B 208 -5.891 6.724 -0.106 1.00 15.00 C ATOM 0 HA PRO B 208 -6.681 3.952 -1.646 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.958 4.095 0.758 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.443 3.881 -0.903 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.906 6.151 0.476 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.168 6.165 -1.257 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.133 6.852 0.949 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.815 7.721 -0.539 1.00 15.00 H new ATOM 614 N PRO B 209 -7.949 2.592 -0.076 1.00 15.00 N ATOM 615 CA PRO B 209 -8.812 1.771 0.777 1.00 15.00 C ATOM 616 C PRO B 209 -8.221 1.556 2.165 1.00 15.00 C ATOM 617 O PRO B 209 -7.029 1.286 2.307 1.00 15.00 O ATOM 618 CB PRO B 209 -8.907 0.434 0.025 1.00 15.00 C ATOM 619 CG PRO B 209 -7.903 0.519 -1.078 1.00 15.00 C ATOM 620 CD PRO B 209 -7.776 1.975 -1.392 1.00 15.00 C ATOM 0 HA PRO B 209 -9.778 2.247 0.947 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.691 -0.404 0.688 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.911 0.277 -0.370 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.945 0.099 -0.770 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.232 -0.044 -1.952 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.807 2.214 -1.829 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.536 2.306 -2.100 1.00 15.00 H new ATOM 628 N PRO B 210 -9.069 1.665 3.200 1.00 15.00 N ATOM 629 CA PRO B 210 -8.644 1.575 4.600 1.00 15.00 C ATOM 630 C PRO B 210 -7.758 0.366 4.886 1.00 15.00 C ATOM 631 O PRO B 210 -8.118 -0.772 4.594 1.00 15.00 O ATOM 632 CB PRO B 210 -9.965 1.456 5.359 1.00 15.00 C ATOM 633 CG PRO B 210 -10.955 2.154 4.494 1.00 15.00 C ATOM 634 CD PRO B 210 -10.521 1.890 3.080 1.00 15.00 C ATOM 0 HA PRO B 210 -8.036 2.433 4.887 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.240 0.413 5.516 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.901 1.920 6.343 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.963 1.778 4.671 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.973 3.223 4.704 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -11.028 1.021 2.660 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.743 2.735 2.428 1.00 15.00 H new ATOM 642 N TYR B 211 -6.604 0.644 5.483 1.00 15.00 N ATOM 643 CA TYR B 211 -5.621 -0.372 5.855 1.00 15.00 C ATOM 644 C TYR B 211 -6.194 -1.409 6.833 1.00 15.00 C ATOM 645 O TYR B 211 -5.575 -2.442 7.097 1.00 15.00 O ATOM 646 CB TYR B 211 -4.384 0.332 6.441 1.00 15.00 C ATOM 647 CG TYR B 211 -3.478 -0.544 7.274 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.617 -1.464 6.689 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.494 -0.446 8.657 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.800 -2.263 7.466 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.680 -1.236 9.437 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.836 -2.142 8.842 1.00 15.00 C ATOM 653 OH TYR B 211 -1.024 -2.934 9.620 1.00 15.00 O ATOM 0 H TYR B 211 -6.320 1.593 5.726 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.338 -0.930 4.963 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.802 0.752 5.620 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.719 1.168 7.055 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.586 -1.556 5.613 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.157 0.263 9.131 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.137 -2.978 7.001 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.705 -1.144 10.513 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.171 -2.723 10.566 1.00 15.00 H new ATOM 663 N SER B 212 -7.388 -1.142 7.354 1.00 15.00 N ATOM 664 CA SER B 212 -7.999 -2.010 8.351 1.00 15.00 C ATOM 665 C SER B 212 -8.188 -3.421 7.790 1.00 15.00 C ATOM 666 O SER B 212 -7.974 -4.408 8.497 1.00 15.00 O ATOM 667 CB SER B 212 -9.344 -1.430 8.805 1.00 15.00 C ATOM 668 OG SER B 212 -9.865 -2.140 9.918 1.00 15.00 O ATOM 0 H SER B 212 -7.951 -0.330 7.101 1.00 15.00 H new ATOM 0 HA SER B 212 -7.335 -2.070 9.214 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.219 -0.380 9.068 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.056 -1.470 7.981 1.00 15.00 H new ATOM 0 HG SER B 212 -10.722 -1.746 10.185 1.00 15.00 H new ATOM 674 N ARG B 213 -8.617 -3.519 6.535 1.00 15.00 N ATOM 675 CA ARG B 213 -8.646 -4.806 5.856 1.00 15.00 C ATOM 676 C ARG B 213 -8.446 -4.632 4.355 1.00 15.00 C ATOM 677 O ARG B 213 -8.588 -3.533 3.828 1.00 15.00 O ATOM 678 CB ARG B 213 -9.931 -5.574 6.128 1.00 15.00 C ATOM 679 CG ARG B 213 -9.718 -7.071 6.004 1.00 15.00 C ATOM 680 CD ARG B 213 -9.201 -7.670 7.302 1.00 15.00 C ATOM 681 NE ARG B 213 -10.139 -7.483 8.408 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.185 -8.268 9.487 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.364 -9.307 9.602 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -11.065 -8.019 10.449 1.00 15.00 N ATOM 0 H ARG B 213 -8.945 -2.732 5.975 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.821 -5.393 6.260 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.293 -5.338 7.129 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.702 -5.255 5.427 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.657 -7.552 5.729 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -9.009 -7.273 5.201 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -9.016 -8.735 7.161 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.245 -7.212 7.557 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.798 -6.706 8.352 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.692 -9.510 8.862 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.406 -9.901 10.430 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.705 -7.229 10.363 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.102 -8.618 11.274 1.00 15.00 H new ATOM 698 N TYR B 214 -8.151 -5.731 3.673 1.00 15.00 N ATOM 699 CA TYR B 214 -7.753 -5.685 2.272 1.00 15.00 C ATOM 700 C TYR B 214 -8.971 -5.879 1.379 1.00 15.00 C ATOM 701 O TYR B 214 -9.622 -6.924 1.424 1.00 15.00 O ATOM 702 CB TYR B 214 -6.695 -6.767 1.972 1.00 15.00 C ATOM 703 CG TYR B 214 -5.535 -6.804 2.958 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.444 -5.883 3.989 1.00 15.00 C ATOM 705 CD2 TYR B 214 -4.548 -7.780 2.873 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.429 -5.921 4.903 1.00 15.00 C ATOM 707 CE2 TYR B 214 -3.510 -7.823 3.789 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.457 -6.890 4.804 1.00 15.00 C ATOM 709 OH TYR B 214 -2.438 -6.931 5.734 1.00 15.00 O ATOM 0 H TYR B 214 -8.180 -6.670 4.070 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.314 -4.709 2.067 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.182 -7.742 1.966 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.299 -6.602 0.970 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.197 -5.113 4.073 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.591 -8.514 2.082 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.390 -5.193 5.700 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.746 -8.583 3.709 1.00 15.00 H new ATOM 0 HH TYR B 214 -1.834 -7.674 5.525 1.00 15.00 H new ATOM 719 N PRO B 215 -9.310 -4.864 0.575 1.00 15.00 N ATOM 720 CA PRO B 215 -10.467 -4.916 -0.315 1.00 15.00 C ATOM 721 C PRO B 215 -10.235 -5.813 -1.529 1.00 15.00 C ATOM 722 O PRO B 215 -9.475 -5.468 -2.440 1.00 15.00 O ATOM 723 CB PRO B 215 -10.643 -3.460 -0.745 1.00 15.00 C ATOM 724 CG PRO B 215 -9.271 -2.884 -0.668 1.00 15.00 C ATOM 725 CD PRO B 215 -8.594 -3.578 0.480 1.00 15.00 C ATOM 0 HA PRO B 215 -11.342 -5.339 0.178 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.048 -3.390 -1.755 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.333 -2.932 -0.087 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.727 -3.047 -1.598 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.309 -1.807 -0.505 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.531 -3.724 0.290 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.677 -3.003 1.402 1.00 15.00 H new ATOM 733 N MET B 216 -10.866 -6.976 -1.520 1.00 15.00 N ATOM 734 CA MET B 216 -10.757 -7.909 -2.627 1.00 15.00 C ATOM 735 C MET B 216 -12.131 -8.184 -3.222 1.00 15.00 C ATOM 736 O MET B 216 -12.841 -9.088 -2.776 1.00 15.00 O ATOM 737 CB MET B 216 -10.104 -9.219 -2.176 1.00 15.00 C ATOM 738 CG MET B 216 -9.890 -10.217 -3.304 1.00 15.00 C ATOM 739 SD MET B 216 -9.313 -11.821 -2.712 1.00 15.00 S ATOM 740 CE MET B 216 -10.704 -12.326 -1.700 1.00 15.00 C ATOM 0 H MET B 216 -11.460 -7.296 -0.755 1.00 15.00 H new ATOM 0 HA MET B 216 -10.124 -7.458 -3.391 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.142 -8.995 -1.714 1.00 15.00 H new ATOM 0 HB3 MET B 216 -10.727 -9.679 -1.409 1.00 15.00 H new ATOM 0 HG2 MET B 216 -10.825 -10.350 -3.849 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.165 -9.812 -4.010 1.00 15.00 H new ATOM 0 HE1 MET B 216 -10.900 -13.387 -1.854 1.00 15.00 H new ATOM 0 HE2 MET B 216 -10.473 -12.149 -0.650 1.00 15.00 H new ATOM 0 HE3 MET B 216 -11.586 -11.750 -1.980 1.00 15.00 H new ATOM 750 N ASP B 217 -12.520 -7.342 -4.170 1.00 15.00 N ATOM 751 CA ASP B 217 -13.788 -7.469 -4.885 1.00 15.00 C ATOM 752 C ASP B 217 -13.930 -6.308 -5.850 1.00 15.00 C ATOM 753 O ASP B 217 -13.854 -6.533 -7.070 1.00 15.00 O ATOM 754 CB ASP B 217 -14.986 -7.489 -3.927 1.00 15.00 C ATOM 755 CG ASP B 217 -16.306 -7.659 -4.653 1.00 15.00 C ATOM 756 OD1 ASP B 217 -16.542 -8.746 -5.225 1.00 15.00 O ATOM 757 OD2 ASP B 217 -17.128 -6.718 -4.638 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -14.066 -5.161 -5.376 1.00 15.00 O ATOM 0 H ASP B 217 -11.961 -6.543 -4.469 1.00 15.00 H new ATOM 0 HA ASP B 217 -13.780 -8.416 -5.424 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -14.861 -8.301 -3.211 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -15.006 -6.561 -3.356 1.00 15.00 H new TER 763 ASP B 217