USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 250 ASN : amide:sc= -0.964 K(o=-0.94,f=-11!) USER MOD Set 1.2: A 253 ASN : amide:sc= 0.0216 K(o=-0.94,f=-3.4) USER MOD Set 2.1: A 238 GLN : amide:sc= -1.15 K(o=-2.8,f=-3.6!) USER MOD Set 2.2: A 248 TYR OH : rot -44:sc= -1.67! USER MOD Single : A 240 MET CE :methyl -161:sc= -0.214 (180deg=-1) USER MOD Single : A 241 THR OG1 : rot -160:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 247 TYR OH : rot 90:sc= -3.92! USER MOD Single : A 251 HIS : no HE2:sc= -5.51! C(o=-5.5!,f=-8.1!) USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00982) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 SER OG : rot -179:sc= 0.00417 USER MOD Single : B 206 SER OG : rot 156:sc= 1.21 USER MOD Single : B 211 TYR OH : rot 180:sc= -2.27! 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 161:sc= -0.0708 (180deg=-0.563) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.268 -1.309 -6.169 1.00 15.00 N ATOM 2 CA GLY A 230 10.552 -2.039 -6.053 1.00 15.00 C ATOM 3 C GLY A 230 10.867 -2.397 -4.616 1.00 15.00 C ATOM 4 O GLY A 230 10.104 -3.118 -3.972 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.509 -2.948 -6.653 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.357 -1.426 -6.460 1.00 15.00 H new ATOM 10 N PRO A 231 11.997 -1.914 -4.085 1.00 15.00 N ATOM 11 CA PRO A 231 12.363 -2.104 -2.691 1.00 15.00 C ATOM 12 C PRO A 231 11.731 -1.041 -1.801 1.00 15.00 C ATOM 13 O PRO A 231 11.972 0.147 -1.978 1.00 15.00 O ATOM 14 CB PRO A 231 13.895 -1.965 -2.695 1.00 15.00 C ATOM 15 CG PRO A 231 14.280 -1.584 -4.096 1.00 15.00 C ATOM 16 CD PRO A 231 13.022 -1.150 -4.793 1.00 15.00 C ATOM 0 HA PRO A 231 12.020 -3.061 -2.298 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.218 -1.206 -1.983 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.371 -2.901 -2.402 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.015 -0.779 -4.089 1.00 15.00 H new ATOM 0 HG3 PRO A 231 14.737 -2.428 -4.614 1.00 15.00 H new ATOM 0 HD2 PRO A 231 12.860 -0.075 -4.708 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.044 -1.386 -5.857 1.00 15.00 H new ATOM 24 N LEU A 232 10.915 -1.468 -0.855 1.00 15.00 N ATOM 25 CA LEU A 232 10.214 -0.541 0.022 1.00 15.00 C ATOM 26 C LEU A 232 10.878 -0.459 1.381 1.00 15.00 C ATOM 27 O LEU A 232 11.660 -1.337 1.740 1.00 15.00 O ATOM 28 CB LEU A 232 8.724 -0.851 0.209 1.00 15.00 C ATOM 29 CG LEU A 232 7.821 -0.450 -0.948 1.00 15.00 C ATOM 30 CD1 LEU A 232 7.912 1.026 -1.254 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.122 -1.257 -2.193 1.00 15.00 C ATOM 0 H LEU A 232 10.719 -2.452 -0.672 1.00 15.00 H new ATOM 0 HA LEU A 232 10.278 0.420 -0.488 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.612 -1.922 0.380 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.376 -0.346 1.110 1.00 15.00 H new ATOM 0 HG LEU A 232 6.801 -0.666 -0.631 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.251 1.266 -2.086 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.613 1.599 -0.376 1.00 15.00 H new ATOM 0 HD13 LEU A 232 8.938 1.280 -1.521 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.458 -0.944 -2.999 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.157 -1.093 -2.491 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.967 -2.316 -1.986 1.00 15.00 H new ATOM 43 N PRO A 233 10.595 0.611 2.153 1.00 15.00 N ATOM 44 CA PRO A 233 11.161 0.815 3.500 1.00 15.00 C ATOM 45 C PRO A 233 10.813 -0.328 4.459 1.00 15.00 C ATOM 46 O PRO A 233 11.271 -0.350 5.600 1.00 15.00 O ATOM 47 CB PRO A 233 10.490 2.118 3.943 1.00 15.00 C ATOM 48 CG PRO A 233 10.260 2.823 2.661 1.00 15.00 C ATOM 49 CD PRO A 233 9.699 1.741 1.805 1.00 15.00 C ATOM 0 HA PRO A 233 12.250 0.850 3.498 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.557 1.932 4.475 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.129 2.694 4.612 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.565 3.656 2.773 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.183 3.231 2.249 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.656 1.528 2.040 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.742 1.990 0.745 1.00 15.00 H new ATOM 57 N ASP A 234 9.911 -1.204 4.003 1.00 15.00 N ATOM 58 CA ASP A 234 9.580 -2.470 4.680 1.00 15.00 C ATOM 59 C ASP A 234 8.515 -2.263 5.735 1.00 15.00 C ATOM 60 O ASP A 234 8.208 -3.164 6.514 1.00 15.00 O ATOM 61 CB ASP A 234 10.822 -3.141 5.293 1.00 15.00 C ATOM 62 CG ASP A 234 11.856 -3.534 4.254 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.527 -4.329 3.347 1.00 15.00 O ATOM 64 OD2 ASP A 234 13.006 -3.051 4.340 1.00 15.00 O1- ATOM 0 H ASP A 234 9.382 -1.055 3.144 1.00 15.00 H new ATOM 0 HA ASP A 234 9.187 -3.142 3.917 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.278 -2.461 6.012 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.514 -4.029 5.845 1.00 15.00 H new ATOM 69 N GLY A 235 7.929 -1.081 5.737 1.00 15.00 N ATOM 70 CA GLY A 235 6.789 -0.833 6.584 1.00 15.00 C ATOM 71 C GLY A 235 5.492 -1.137 5.866 1.00 15.00 C ATOM 72 O GLY A 235 4.461 -1.355 6.493 1.00 15.00 O ATOM 0 H GLY A 235 8.223 -0.288 5.167 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.861 -1.445 7.483 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.793 0.208 6.906 1.00 15.00 H new ATOM 76 N TRP A 236 5.558 -1.179 4.538 1.00 15.00 N ATOM 77 CA TRP A 236 4.366 -1.326 3.713 1.00 15.00 C ATOM 78 C TRP A 236 4.505 -2.295 2.557 1.00 15.00 C ATOM 79 O TRP A 236 5.573 -2.466 1.972 1.00 15.00 O ATOM 80 CB TRP A 236 3.830 0.025 3.236 1.00 15.00 C ATOM 81 CG TRP A 236 4.827 1.132 3.052 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.162 1.063 2.760 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.520 2.521 3.185 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.688 2.326 2.712 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.702 3.236 2.969 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.347 3.225 3.470 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.750 4.626 3.034 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.394 4.601 3.530 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.589 5.290 3.314 1.00 15.00 C ATOM 0 H TRP A 236 6.428 -1.113 4.010 1.00 15.00 H new ATOM 0 HA TRP A 236 3.632 -1.778 4.380 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.319 -0.131 2.286 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.079 0.362 3.951 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.716 0.151 2.593 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.663 2.552 2.515 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.419 2.699 3.640 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.673 5.161 2.869 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.493 5.155 3.747 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.596 6.369 3.369 1.00 15.00 H new ATOM 100 N GLU A 237 3.359 -2.884 2.233 1.00 15.00 N ATOM 101 CA GLU A 237 3.250 -3.993 1.304 1.00 15.00 C ATOM 102 C GLU A 237 2.364 -3.538 0.138 1.00 15.00 C ATOM 103 O GLU A 237 1.339 -2.891 0.370 1.00 15.00 O ATOM 104 CB GLU A 237 2.565 -5.143 2.055 1.00 15.00 C ATOM 105 CG GLU A 237 2.942 -6.562 1.649 1.00 15.00 C ATOM 106 CD GLU A 237 3.192 -6.772 0.164 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.124 -6.153 -0.392 1.00 15.00 O ATOM 108 OE2 GLU A 237 2.477 -7.591 -0.446 1.00 15.00 O1- ATOM 0 H GLU A 237 2.461 -2.594 2.621 1.00 15.00 H new ATOM 0 HA GLU A 237 4.221 -4.312 0.926 1.00 15.00 H new ATOM 0 HB2 GLU A 237 2.779 -5.027 3.117 1.00 15.00 H new ATOM 0 HB3 GLU A 237 1.488 -5.032 1.933 1.00 15.00 H new ATOM 0 HG2 GLU A 237 3.840 -6.852 2.196 1.00 15.00 H new ATOM 0 HG3 GLU A 237 2.145 -7.236 1.965 1.00 15.00 H new ATOM 115 N GLN A 238 2.723 -3.883 -1.090 1.00 15.00 N ATOM 116 CA GLN A 238 1.947 -3.451 -2.251 1.00 15.00 C ATOM 117 C GLN A 238 0.854 -4.477 -2.582 1.00 15.00 C ATOM 118 O GLN A 238 1.147 -5.566 -3.078 1.00 15.00 O ATOM 119 CB GLN A 238 2.855 -3.238 -3.470 1.00 15.00 C ATOM 120 CG GLN A 238 2.107 -2.864 -4.741 1.00 15.00 C ATOM 121 CD GLN A 238 3.030 -2.680 -5.930 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.506 -1.577 -6.196 1.00 15.00 O ATOM 123 NE2 GLN A 238 3.299 -3.760 -6.647 1.00 15.00 N ATOM 0 H GLN A 238 3.538 -4.455 -1.311 1.00 15.00 H new ATOM 0 HA GLN A 238 1.474 -2.501 -2.003 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.576 -2.453 -3.241 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.424 -4.150 -3.650 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.377 -3.640 -4.970 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.550 -1.942 -4.572 1.00 15.00 H new ATOM 0 HE21 GLN A 238 2.884 -4.657 -6.394 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.921 -3.695 -7.453 1.00 15.00 H new ATOM 132 N ALA A 239 -0.399 -4.144 -2.279 1.00 15.00 N ATOM 133 CA ALA A 239 -1.519 -5.025 -2.566 1.00 15.00 C ATOM 134 C ALA A 239 -2.267 -4.541 -3.804 1.00 15.00 C ATOM 135 O ALA A 239 -2.284 -3.348 -4.101 1.00 15.00 O ATOM 136 CB ALA A 239 -2.449 -5.109 -1.364 1.00 15.00 C ATOM 0 H ALA A 239 -0.661 -3.265 -1.833 1.00 15.00 H new ATOM 0 HA ALA A 239 -1.138 -6.026 -2.768 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -3.283 -5.772 -1.595 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.901 -5.500 -0.507 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.830 -4.115 -1.129 1.00 15.00 H new ATOM 142 N MET A 240 -2.867 -5.465 -4.534 1.00 15.00 N ATOM 143 CA MET A 240 -3.523 -5.136 -5.793 1.00 15.00 C ATOM 144 C MET A 240 -5.036 -5.297 -5.684 1.00 15.00 C ATOM 145 O MET A 240 -5.521 -6.331 -5.225 1.00 15.00 O ATOM 146 CB MET A 240 -2.993 -6.049 -6.900 1.00 15.00 C ATOM 147 CG MET A 240 -1.488 -5.958 -7.101 1.00 15.00 C ATOM 148 SD MET A 240 -0.880 -7.136 -8.324 1.00 15.00 S ATOM 149 CE MET A 240 -1.337 -8.688 -7.554 1.00 15.00 C ATOM 0 H MET A 240 -2.915 -6.451 -4.278 1.00 15.00 H new ATOM 0 HA MET A 240 -3.304 -4.095 -6.030 1.00 15.00 H new ATOM 0 HB2 MET A 240 -3.257 -7.080 -6.666 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.491 -5.797 -7.836 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.227 -4.947 -7.415 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.987 -6.136 -6.150 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.753 -9.497 -7.992 1.00 15.00 H new ATOM 0 HE2 MET A 240 -1.138 -8.635 -6.484 1.00 15.00 H new ATOM 0 HE3 MET A 240 -2.398 -8.877 -7.717 1.00 15.00 H new ATOM 159 N THR A 241 -5.780 -4.281 -6.105 1.00 15.00 N ATOM 160 CA THR A 241 -7.228 -4.397 -6.183 1.00 15.00 C ATOM 161 C THR A 241 -7.690 -4.305 -7.635 1.00 15.00 C ATOM 162 O THR A 241 -7.158 -3.508 -8.427 1.00 15.00 O ATOM 163 CB THR A 241 -7.966 -3.341 -5.322 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.386 -3.520 -5.428 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.612 -1.923 -5.740 1.00 15.00 C ATOM 0 H THR A 241 -5.408 -3.377 -6.395 1.00 15.00 H new ATOM 0 HA THR A 241 -7.486 -5.375 -5.776 1.00 15.00 H new ATOM 0 HB THR A 241 -7.646 -3.485 -4.290 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.841 -2.694 -5.160 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.150 -1.213 -5.112 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.539 -1.767 -5.626 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.892 -1.770 -6.782 1.00 15.00 H new ATOM 173 N GLN A 242 -8.695 -5.118 -7.967 1.00 15.00 N ATOM 174 CA GLN A 242 -9.198 -5.240 -9.333 1.00 15.00 C ATOM 175 C GLN A 242 -9.856 -3.942 -9.792 1.00 15.00 C ATOM 176 O GLN A 242 -10.176 -3.776 -10.971 1.00 15.00 O ATOM 177 CB GLN A 242 -10.188 -6.404 -9.430 1.00 15.00 C ATOM 178 CG GLN A 242 -10.555 -6.785 -10.856 1.00 15.00 C ATOM 179 CD GLN A 242 -11.520 -7.949 -10.912 1.00 15.00 C ATOM 180 OE1 GLN A 242 -11.110 -9.109 -10.950 1.00 15.00 O ATOM 181 NE2 GLN A 242 -12.810 -7.649 -10.940 1.00 15.00 N ATOM 0 H GLN A 242 -9.182 -5.710 -7.294 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.353 -5.440 -9.991 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.761 -7.274 -8.931 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.097 -6.141 -8.889 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -10.999 -5.924 -11.356 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -9.649 -7.041 -11.405 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -13.108 -6.674 -10.907 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -13.506 -8.393 -10.995 1.00 15.00 H new ATOM 190 N ASP A 243 -10.050 -3.021 -8.852 1.00 15.00 N ATOM 191 CA ASP A 243 -10.603 -1.706 -9.159 1.00 15.00 C ATOM 192 C ASP A 243 -9.641 -0.919 -10.057 1.00 15.00 C ATOM 193 O ASP A 243 -9.946 0.184 -10.512 1.00 15.00 O ATOM 194 CB ASP A 243 -10.885 -0.940 -7.866 1.00 15.00 C ATOM 195 CG ASP A 243 -11.766 0.274 -8.087 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.905 0.104 -8.574 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -11.331 1.399 -7.769 1.00 15.00 O ATOM 0 H ASP A 243 -9.831 -3.163 -7.866 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.542 -1.835 -9.697 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.365 -1.607 -7.150 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.941 -0.623 -7.423 1.00 15.00 H new ATOM 202 N GLY A 244 -8.469 -1.504 -10.295 1.00 15.00 N ATOM 203 CA GLY A 244 -7.539 -0.964 -11.265 1.00 15.00 C ATOM 204 C GLY A 244 -6.422 -0.147 -10.655 1.00 15.00 C ATOM 205 O GLY A 244 -5.823 0.681 -11.339 1.00 15.00 O ATOM 0 H GLY A 244 -8.148 -2.351 -9.826 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -7.105 -1.786 -11.834 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -8.087 -0.341 -11.972 1.00 15.00 H new ATOM 209 N GLU A 245 -6.115 -0.379 -9.384 1.00 15.00 N ATOM 210 CA GLU A 245 -5.078 0.394 -8.708 1.00 15.00 C ATOM 211 C GLU A 245 -4.383 -0.450 -7.647 1.00 15.00 C ATOM 212 O GLU A 245 -5.010 -1.274 -6.983 1.00 15.00 O ATOM 213 CB GLU A 245 -5.662 1.673 -8.077 1.00 15.00 C ATOM 214 CG GLU A 245 -6.121 2.709 -9.099 1.00 15.00 C ATOM 215 CD GLU A 245 -6.447 4.062 -8.494 1.00 15.00 C ATOM 216 OE1 GLU A 245 -5.510 4.864 -8.281 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -7.639 4.345 -8.262 1.00 15.00 O ATOM 0 H GLU A 245 -6.564 -1.089 -8.805 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.341 0.689 -9.455 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.507 1.402 -7.444 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -4.910 2.124 -7.429 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.341 2.835 -9.850 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.003 2.330 -9.616 1.00 15.00 H new ATOM 224 N ILE A 246 -3.085 -0.245 -7.499 1.00 15.00 N ATOM 225 CA ILE A 246 -2.307 -0.942 -6.484 1.00 15.00 C ATOM 226 C ILE A 246 -2.063 -0.020 -5.297 1.00 15.00 C ATOM 227 O ILE A 246 -1.769 1.160 -5.476 1.00 15.00 O ATOM 228 CB ILE A 246 -0.961 -1.451 -7.050 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.154 -0.297 -7.656 1.00 15.00 C ATOM 230 CG2 ILE A 246 -1.204 -2.538 -8.087 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.118 -0.734 -8.352 1.00 15.00 C ATOM 0 H ILE A 246 -2.543 0.402 -8.072 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.879 -1.811 -6.158 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.380 -1.875 -6.231 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.782 0.236 -8.370 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.101 0.409 -6.866 1.00 15.00 H new ATOM 0 HG21 ILE A 246 -0.249 -2.888 -8.478 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.734 -3.371 -7.624 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.804 -2.135 -8.903 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.632 0.140 -8.754 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.768 -1.241 -7.638 1.00 15.00 H new ATOM 0 HD13 ILE A 246 0.872 -1.416 -9.166 1.00 15.00 H new ATOM 243 N TYR A 247 -2.200 -0.553 -4.093 1.00 15.00 N ATOM 244 CA TYR A 247 -2.144 0.269 -2.894 1.00 15.00 C ATOM 245 C TYR A 247 -1.171 -0.322 -1.856 1.00 15.00 C ATOM 246 O TYR A 247 -1.165 -1.532 -1.624 1.00 15.00 O ATOM 247 CB TYR A 247 -3.551 0.416 -2.284 1.00 15.00 C ATOM 248 CG TYR A 247 -4.238 -0.895 -1.937 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.701 -1.745 -2.934 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.421 -1.281 -0.610 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.322 -2.937 -2.625 1.00 15.00 C ATOM 252 CE2 TYR A 247 -5.044 -2.480 -0.294 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.490 -3.300 -1.309 1.00 15.00 C ATOM 254 OH TYR A 247 -6.102 -4.495 -1.009 1.00 15.00 O ATOM 0 H TYR A 247 -2.350 -1.547 -3.920 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.774 1.254 -3.178 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.478 1.021 -1.381 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.180 0.964 -2.985 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.572 -1.467 -3.970 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -4.073 -0.637 0.184 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.676 -3.584 -3.414 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -5.178 -2.768 0.738 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.427 -5.203 -0.951 1.00 15.00 H new ATOM 264 N TYR A 248 -0.365 0.532 -1.225 1.00 15.00 N ATOM 265 CA TYR A 248 0.542 0.113 -0.171 1.00 15.00 C ATOM 266 C TYR A 248 -0.108 0.284 1.192 1.00 15.00 C ATOM 267 O TYR A 248 -0.490 1.391 1.581 1.00 15.00 O ATOM 268 CB TYR A 248 1.832 0.934 -0.205 1.00 15.00 C ATOM 269 CG TYR A 248 2.832 0.470 -1.230 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.713 0.825 -2.566 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.906 -0.320 -0.854 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.636 0.400 -3.499 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.827 -0.747 -1.781 1.00 15.00 C ATOM 274 CZ TYR A 248 4.689 -0.385 -3.103 1.00 15.00 C ATOM 275 OH TYR A 248 5.611 -0.815 -4.031 1.00 15.00 O ATOM 0 H TYR A 248 -0.327 1.530 -1.434 1.00 15.00 H new ATOM 0 HA TYR A 248 0.776 -0.938 -0.338 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.581 1.976 -0.404 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.297 0.901 0.780 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.885 1.443 -2.880 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.021 -0.604 0.181 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.530 0.684 -4.536 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.657 -1.365 -1.473 1.00 15.00 H new ATOM 0 HH TYR A 248 5.146 -1.118 -4.838 1.00 15.00 H new ATOM 285 N ILE A 249 -0.237 -0.813 1.912 1.00 15.00 N ATOM 286 CA ILE A 249 -0.702 -0.762 3.283 1.00 15.00 C ATOM 287 C ILE A 249 0.497 -0.781 4.227 1.00 15.00 C ATOM 288 O ILE A 249 1.313 -1.703 4.177 1.00 15.00 O ATOM 289 CB ILE A 249 -1.658 -1.936 3.610 1.00 15.00 C ATOM 290 CG1 ILE A 249 -1.020 -3.283 3.247 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.978 -1.758 2.878 1.00 15.00 C ATOM 292 CD1 ILE A 249 -1.865 -4.484 3.619 1.00 15.00 C ATOM 0 H ILE A 249 -0.026 -1.750 1.570 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.264 0.162 3.417 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.848 -1.933 4.683 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.827 -3.305 2.174 1.00 15.00 H new ATOM 0 HG13 ILE A 249 -0.054 -3.362 3.746 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.641 -2.590 3.116 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.443 -0.822 3.189 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.798 -1.734 1.803 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -1.346 -5.398 3.330 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -2.036 -4.489 4.695 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -2.822 -4.431 3.099 1.00 15.00 H new ATOM 304 N ASN A 250 0.627 0.243 5.061 1.00 15.00 N ATOM 305 CA ASN A 250 1.755 0.316 5.983 1.00 15.00 C ATOM 306 C ASN A 250 1.383 -0.381 7.303 1.00 15.00 C ATOM 307 O ASN A 250 0.467 0.071 7.989 1.00 15.00 O ATOM 308 CB ASN A 250 2.164 1.773 6.236 1.00 15.00 C ATOM 309 CG ASN A 250 3.410 1.905 7.102 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.687 1.070 7.964 1.00 15.00 O ATOM 311 ND2 ASN A 250 4.180 2.958 6.877 1.00 15.00 N ATOM 0 H ASN A 250 -0.025 1.025 5.119 1.00 15.00 H new ATOM 0 HA ASN A 250 2.609 -0.193 5.537 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.340 2.265 5.280 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.338 2.297 6.717 1.00 15.00 H new ATOM 0 HD21 ASN A 250 5.029 3.095 7.425 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.924 3.632 6.156 1.00 15.00 H new ATOM 318 N HIS A 251 2.099 -1.460 7.673 1.00 15.00 N ATOM 319 CA HIS A 251 1.687 -2.318 8.777 1.00 15.00 C ATOM 320 C HIS A 251 2.225 -1.774 10.089 1.00 15.00 C ATOM 321 O HIS A 251 1.679 -2.030 11.163 1.00 15.00 O ATOM 322 CB HIS A 251 2.206 -3.761 8.592 1.00 15.00 C ATOM 323 CG HIS A 251 2.058 -4.338 7.207 1.00 15.00 C ATOM 324 ND1 HIS A 251 1.626 -5.622 6.960 1.00 15.00 N ATOM 325 CD2 HIS A 251 2.364 -3.820 5.998 1.00 15.00 C ATOM 326 CE1 HIS A 251 1.680 -5.864 5.669 1.00 15.00 C ATOM 327 NE2 HIS A 251 2.127 -4.788 5.058 1.00 15.00 N ATOM 0 H HIS A 251 2.964 -1.750 7.217 1.00 15.00 H new ATOM 0 HA HIS A 251 0.597 -2.332 8.792 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.261 -3.785 8.865 1.00 15.00 H new ATOM 0 HB3 HIS A 251 1.680 -4.409 9.293 1.00 15.00 H new ATOM 0 HD1 HIS A 251 1.312 -6.284 7.670 1.00 15.00 H new ATOM 0 HD2 HIS A 251 2.730 -2.822 5.807 1.00 15.00 H new ATOM 0 HE1 HIS A 251 1.403 -6.792 5.190 1.00 15.00 H new ATOM 336 N LYS A 252 3.332 -1.056 9.992 1.00 15.00 N ATOM 337 CA LYS A 252 4.006 -0.530 11.169 1.00 15.00 C ATOM 338 C LYS A 252 3.491 0.857 11.557 1.00 15.00 C ATOM 339 O LYS A 252 3.663 1.289 12.695 1.00 15.00 O ATOM 340 CB LYS A 252 5.516 -0.493 10.926 1.00 15.00 C ATOM 341 CG LYS A 252 6.080 -1.836 10.489 1.00 15.00 C ATOM 342 CD LYS A 252 7.571 -1.761 10.218 1.00 15.00 C ATOM 343 CE LYS A 252 8.103 -3.080 9.683 1.00 15.00 C ATOM 344 NZ LYS A 252 9.574 -3.046 9.474 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.784 -0.823 9.108 1.00 15.00 H new ATOM 0 HA LYS A 252 3.787 -1.196 12.004 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.738 0.254 10.163 1.00 15.00 H new ATOM 0 HB3 LYS A 252 6.018 -0.174 11.840 1.00 15.00 H new ATOM 0 HG2 LYS A 252 5.888 -2.580 11.263 1.00 15.00 H new ATOM 0 HG3 LYS A 252 5.564 -2.172 9.590 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.772 -0.967 9.499 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.097 -1.500 11.136 1.00 15.00 H new ATOM 0 HE2 LYS A 252 7.855 -3.880 10.380 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.609 -3.314 8.740 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 9.894 -3.966 9.109 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 9.810 -2.300 8.789 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 10.049 -2.849 10.378 1.00 15.00 H new ATOM 358 N ASN A 253 2.892 1.567 10.608 1.00 15.00 N ATOM 359 CA ASN A 253 2.327 2.881 10.889 1.00 15.00 C ATOM 360 C ASN A 253 0.812 2.871 10.754 1.00 15.00 C ATOM 361 O ASN A 253 0.156 3.851 11.103 1.00 15.00 O ATOM 362 CB ASN A 253 2.915 3.937 9.951 1.00 15.00 C ATOM 363 CG ASN A 253 4.377 4.225 10.228 1.00 15.00 C ATOM 364 OD1 ASN A 253 5.269 3.575 9.679 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.635 5.211 11.072 1.00 15.00 N ATOM 0 H ASN A 253 2.785 1.257 9.642 1.00 15.00 H new ATOM 0 HA ASN A 253 2.585 3.132 11.918 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.805 3.601 8.920 1.00 15.00 H new ATOM 0 HB3 ASN A 253 2.344 4.860 10.048 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.601 5.457 11.289 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.868 5.725 11.506 1.00 15.00 H new ATOM 372 N LYS A 254 0.263 1.772 10.228 1.00 15.00 N ATOM 373 CA LYS A 254 -1.186 1.627 10.057 1.00 15.00 C ATOM 374 C LYS A 254 -1.712 2.703 9.090 1.00 15.00 C ATOM 375 O LYS A 254 -2.849 3.160 9.188 1.00 15.00 O ATOM 376 CB LYS A 254 -1.866 1.709 11.438 1.00 15.00 C ATOM 377 CG LYS A 254 -3.366 1.443 11.443 1.00 15.00 C ATOM 378 CD LYS A 254 -3.929 1.469 12.858 1.00 15.00 C ATOM 379 CE LYS A 254 -3.685 2.808 13.543 1.00 15.00 C ATOM 380 NZ LYS A 254 -4.457 3.913 12.913 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.803 0.966 9.912 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.420 0.657 9.619 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.385 0.993 12.104 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -1.688 2.701 11.854 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.872 2.192 10.834 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.567 0.473 10.987 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.000 1.267 12.826 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.472 0.672 13.445 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -3.958 2.731 14.595 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -2.621 3.044 13.507 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -4.312 4.790 13.453 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.131 4.051 11.935 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.469 3.672 12.910 1.00 15.00 H new ATOM 394 N THR A 255 -0.890 3.046 8.104 1.00 15.00 N ATOM 395 CA THR A 255 -1.199 4.152 7.202 1.00 15.00 C ATOM 396 C THR A 255 -1.389 3.670 5.761 1.00 15.00 C ATOM 397 O THR A 255 -0.807 2.662 5.356 1.00 15.00 O ATOM 398 CB THR A 255 -0.102 5.235 7.248 1.00 15.00 C ATOM 399 OG1 THR A 255 1.198 4.637 7.145 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.189 6.046 8.532 1.00 15.00 C ATOM 0 H THR A 255 -0.006 2.576 7.908 1.00 15.00 H new ATOM 0 HA THR A 255 -2.137 4.587 7.547 1.00 15.00 H new ATOM 0 HB THR A 255 -0.259 5.903 6.401 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.883 5.337 7.174 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.596 6.802 8.538 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.163 6.533 8.590 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.063 5.385 9.389 1.00 15.00 H new ATOM 408 N THR A 256 -2.223 4.375 4.991 1.00 15.00 N ATOM 409 CA THR A 256 -2.483 3.991 3.611 1.00 15.00 C ATOM 410 C THR A 256 -1.807 4.967 2.640 1.00 15.00 C ATOM 411 O THR A 256 -1.913 6.186 2.793 1.00 15.00 O ATOM 412 CB THR A 256 -4.000 3.940 3.322 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.708 3.602 4.527 1.00 15.00 O ATOM 414 CG2 THR A 256 -4.294 2.893 2.260 1.00 15.00 C ATOM 0 H THR A 256 -2.724 5.208 5.302 1.00 15.00 H new ATOM 0 HA THR A 256 -2.066 2.994 3.464 1.00 15.00 H new ATOM 0 HB THR A 256 -4.325 4.917 2.964 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.670 3.572 4.343 1.00 15.00 H new ATOM 0 HG21 THR A 256 -5.366 2.865 2.064 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.763 3.147 1.342 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.964 1.915 2.612 1.00 15.00 H new ATOM 422 N SER A 257 -1.085 4.426 1.666 1.00 15.00 N ATOM 423 CA SER A 257 -0.431 5.232 0.637 1.00 15.00 C ATOM 424 C SER A 257 -0.388 4.448 -0.669 1.00 15.00 C ATOM 425 O SER A 257 -0.207 3.246 -0.648 1.00 15.00 O ATOM 426 CB SER A 257 0.980 5.614 1.088 1.00 15.00 C ATOM 427 OG SER A 257 0.936 6.359 2.295 1.00 15.00 O ATOM 0 H SER A 257 -0.936 3.422 1.565 1.00 15.00 H new ATOM 0 HA SER A 257 -0.997 6.150 0.478 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.577 4.714 1.232 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.470 6.200 0.310 1.00 15.00 H new ATOM 0 HG SER A 257 1.846 6.606 2.560 1.00 15.00 H new ATOM 433 N TRP A 258 -0.535 5.126 -1.797 1.00 15.00 N ATOM 434 CA TRP A 258 -0.713 4.444 -3.080 1.00 15.00 C ATOM 435 C TRP A 258 0.546 3.750 -3.594 1.00 15.00 C ATOM 436 O TRP A 258 0.600 2.527 -3.660 1.00 15.00 O ATOM 437 CB TRP A 258 -1.213 5.421 -4.142 1.00 15.00 C ATOM 438 CG TRP A 258 -2.687 5.658 -4.081 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.321 6.818 -3.751 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.717 4.700 -4.355 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.679 6.643 -3.815 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.948 5.350 -4.181 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.716 3.357 -4.735 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.168 4.704 -4.372 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -4.925 2.715 -4.924 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.135 3.389 -4.743 1.00 15.00 C ATOM 0 H TRP A 258 -0.535 6.144 -1.855 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.453 3.666 -2.894 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.694 6.372 -4.024 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -0.954 5.037 -5.129 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.827 7.739 -3.479 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.378 7.360 -3.621 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.785 2.828 -4.879 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.105 5.223 -4.232 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -4.935 1.675 -5.216 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.064 2.860 -4.899 1.00 15.00 H new ATOM 457 N LEU A 259 1.551 4.532 -3.954 1.00 15.00 N ATOM 458 CA LEU A 259 2.667 4.029 -4.747 1.00 15.00 C ATOM 459 C LEU A 259 4.014 4.157 -4.055 1.00 15.00 C ATOM 460 O LEU A 259 4.177 4.937 -3.117 1.00 15.00 O ATOM 461 CB LEU A 259 2.700 4.670 -6.131 1.00 15.00 C ATOM 462 CG LEU A 259 1.832 3.955 -7.168 1.00 15.00 C ATOM 463 CD1 LEU A 259 1.990 4.593 -8.541 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.185 2.471 -7.211 1.00 15.00 C ATOM 0 H LEU A 259 1.619 5.520 -3.710 1.00 15.00 H new ATOM 0 HA LEU A 259 2.487 2.960 -4.863 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.371 5.706 -6.048 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.730 4.690 -6.486 1.00 15.00 H new ATOM 0 HG LEU A 259 0.787 4.055 -6.876 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.363 4.067 -9.261 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.688 5.639 -8.493 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.032 4.530 -8.854 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.562 1.970 -7.952 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.235 2.354 -7.481 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.011 2.027 -6.231 1.00 15.00 H new ATOM 476 N ASP A 260 4.966 3.370 -4.559 1.00 15.00 N ATOM 477 CA ASP A 260 6.281 3.174 -3.944 1.00 15.00 C ATOM 478 C ASP A 260 7.035 4.497 -3.817 1.00 15.00 C ATOM 479 O ASP A 260 7.431 5.111 -4.811 1.00 15.00 O ATOM 480 CB ASP A 260 7.086 2.202 -4.825 1.00 15.00 C ATOM 481 CG ASP A 260 8.477 1.871 -4.304 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.088 2.704 -3.603 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 8.963 0.760 -4.605 1.00 15.00 O ATOM 0 H ASP A 260 4.843 2.841 -5.422 1.00 15.00 H new ATOM 0 HA ASP A 260 6.150 2.768 -2.941 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.522 1.275 -4.928 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.180 2.631 -5.823 1.00 15.00 H new ATOM 488 N PRO A 261 7.201 4.953 -2.567 1.00 15.00 N ATOM 489 CA PRO A 261 7.866 6.214 -2.242 1.00 15.00 C ATOM 490 C PRO A 261 9.391 6.123 -2.254 1.00 15.00 C ATOM 491 O PRO A 261 10.080 7.139 -2.214 1.00 15.00 O ATOM 492 CB PRO A 261 7.363 6.485 -0.829 1.00 15.00 C ATOM 493 CG PRO A 261 7.226 5.131 -0.231 1.00 15.00 C ATOM 494 CD PRO A 261 6.744 4.251 -1.350 1.00 15.00 C ATOM 0 HA PRO A 261 7.643 6.993 -2.971 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.065 7.101 -0.267 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.411 7.015 -0.839 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.178 4.778 0.165 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.518 5.137 0.598 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.167 3.249 -1.283 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.660 4.141 -1.334 1.00 15.00 H new ATOM 502 N ARG A 262 9.917 4.909 -2.297 1.00 15.00 N ATOM 503 CA ARG A 262 11.347 4.694 -2.139 1.00 15.00 C ATOM 504 C ARG A 262 12.093 4.983 -3.445 1.00 15.00 C ATOM 505 O ARG A 262 13.323 5.052 -3.477 1.00 15.00 O ATOM 506 CB ARG A 262 11.614 3.273 -1.611 1.00 15.00 C ATOM 507 CG ARG A 262 13.087 2.879 -1.571 1.00 15.00 C ATOM 508 CD ARG A 262 13.867 3.734 -0.590 1.00 15.00 C ATOM 509 NE ARG A 262 15.307 3.504 -0.688 1.00 15.00 N ATOM 510 CZ ARG A 262 16.221 4.281 -0.113 1.00 15.00 C ATOM 511 NH1 ARG A 262 15.842 5.291 0.663 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 17.511 4.041 -0.307 1.00 15.00 N ATOM 0 H ARG A 262 9.375 4.057 -2.440 1.00 15.00 H new ATOM 0 HA ARG A 262 11.733 5.396 -1.399 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.201 3.189 -0.606 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.077 2.560 -2.237 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.176 1.829 -1.291 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.519 2.981 -2.567 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.654 4.786 -0.778 1.00 15.00 H new ATOM 0 HD3 ARG A 262 13.533 3.517 0.425 1.00 15.00 H new ATOM 0 HE ARG A 262 15.630 2.701 -1.228 1.00 15.00 H new ATOM 0 HH11 ARG A 262 14.850 5.471 0.818 1.00 15.00 H new ATOM 0 HH12 ARG A 262 16.543 5.886 1.104 1.00 15.00 H new ATOM 0 HH21 ARG A 262 17.802 3.261 -0.897 1.00 15.00 H new ATOM 0 HH22 ARG A 262 18.212 4.636 0.134 1.00 15.00 H new ATOM 526 N LEU A 263 11.346 5.168 -4.519 1.00 15.00 N ATOM 527 CA LEU A 263 11.940 5.533 -5.797 1.00 15.00 C ATOM 528 C LEU A 263 12.268 7.026 -5.860 1.00 15.00 C ATOM 529 O LEU A 263 13.036 7.459 -6.719 1.00 15.00 O ATOM 530 CB LEU A 263 11.012 5.155 -6.957 1.00 15.00 C ATOM 531 CG LEU A 263 11.178 3.734 -7.513 1.00 15.00 C ATOM 532 CD1 LEU A 263 12.563 3.554 -8.111 1.00 15.00 C ATOM 533 CD2 LEU A 263 10.930 2.691 -6.438 1.00 15.00 C ATOM 0 H LEU A 263 10.331 5.072 -4.534 1.00 15.00 H new ATOM 0 HA LEU A 263 12.872 4.975 -5.890 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.981 5.277 -6.626 1.00 15.00 H new ATOM 0 HB3 LEU A 263 11.171 5.863 -7.770 1.00 15.00 H new ATOM 0 HG LEU A 263 10.435 3.594 -8.298 1.00 15.00 H new ATOM 0 HD11 LEU A 263 12.662 2.541 -8.500 1.00 15.00 H new ATOM 0 HD12 LEU A 263 12.705 4.269 -8.921 1.00 15.00 H new ATOM 0 HD13 LEU A 263 13.316 3.723 -7.341 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.055 1.695 -6.862 1.00 15.00 H new ATOM 0 HD22 LEU A 263 11.642 2.831 -5.624 1.00 15.00 H new ATOM 0 HD23 LEU A 263 9.915 2.798 -6.055 1.00 15.00 H new ATOM 545 N ASP A 264 11.678 7.814 -4.964 1.00 15.00 N ATOM 546 CA ASP A 264 11.870 9.268 -4.998 1.00 15.00 C ATOM 547 C ASP A 264 13.241 9.760 -4.475 1.00 15.00 C ATOM 548 O ASP A 264 13.776 10.730 -5.015 1.00 15.00 O ATOM 549 CB ASP A 264 10.703 10.006 -4.307 1.00 15.00 C ATOM 550 CG ASP A 264 11.045 10.598 -2.946 1.00 15.00 C ATOM 551 OD1 ASP A 264 11.650 11.691 -2.897 1.00 15.00 O ATOM 552 OD2 ASP A 264 10.672 9.997 -1.918 1.00 15.00 O1- ATOM 0 H ASP A 264 11.071 7.480 -4.215 1.00 15.00 H new ATOM 0 HA ASP A 264 11.871 9.524 -6.058 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.359 10.807 -4.961 1.00 15.00 H new ATOM 0 HB3 ASP A 264 9.871 9.312 -4.188 1.00 15.00 H new ATOM 557 N PRO A 265 13.824 9.153 -3.419 1.00 15.00 N ATOM 558 CA PRO A 265 15.153 9.540 -2.929 1.00 15.00 C ATOM 559 C PRO A 265 16.268 9.110 -3.881 1.00 15.00 C ATOM 560 O PRO A 265 16.674 9.930 -4.731 1.00 15.00 O ATOM 561 CB PRO A 265 15.271 8.806 -1.592 1.00 15.00 C ATOM 562 CG PRO A 265 14.372 7.629 -1.732 1.00 15.00 C ATOM 563 CD PRO A 265 13.241 8.080 -2.614 1.00 15.00 C ATOM 564 OXT PRO A 265 16.738 7.957 -3.781 1.00 15.00 O ATOM 0 HA PRO A 265 15.257 10.622 -2.842 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.299 8.499 -1.397 1.00 15.00 H new ATOM 0 HB3 PRO A 265 14.965 9.442 -0.762 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.900 6.784 -2.174 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.003 7.301 -0.760 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.874 7.266 -3.240 1.00 15.00 H new ATOM 0 HD3 PRO A 265 12.395 8.437 -2.027 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -7.655 8.983 -6.385 1.00 15.00 N ATOM 574 CA SER B 206 -8.574 8.132 -5.596 1.00 15.00 C ATOM 575 C SER B 206 -8.096 8.049 -4.149 1.00 15.00 C ATOM 576 O SER B 206 -6.895 8.012 -3.898 1.00 15.00 O ATOM 577 CB SER B 206 -8.615 6.721 -6.194 1.00 15.00 C ATOM 578 OG SER B 206 -8.787 6.752 -7.602 1.00 15.00 O ATOM 0 HA SER B 206 -9.571 8.571 -5.624 1.00 15.00 H new ATOM 0 HB2 SER B 206 -7.691 6.196 -5.952 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.430 6.157 -5.740 1.00 15.00 H new ATOM 0 HG SER B 206 -8.429 5.928 -7.994 1.00 15.00 H new ATOM 586 N PRO B 207 -9.016 8.031 -3.174 1.00 15.00 N ATOM 587 CA PRO B 207 -8.673 7.712 -1.785 1.00 15.00 C ATOM 588 C PRO B 207 -8.287 6.239 -1.669 1.00 15.00 C ATOM 589 O PRO B 207 -8.988 5.377 -2.203 1.00 15.00 O ATOM 590 CB PRO B 207 -9.967 7.998 -1.006 1.00 15.00 C ATOM 591 CG PRO B 207 -10.836 8.771 -1.944 1.00 15.00 C ATOM 592 CD PRO B 207 -10.445 8.337 -3.327 1.00 15.00 C ATOM 0 HA PRO B 207 -7.827 8.288 -1.410 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.451 7.072 -0.696 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -9.762 8.569 -0.101 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.890 8.568 -1.755 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.690 9.844 -1.816 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.013 7.466 -3.655 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.615 9.124 -4.062 1.00 15.00 H new ATOM 600 N PRO B 208 -7.174 5.914 -0.993 1.00 15.00 N ATOM 601 CA PRO B 208 -6.689 4.541 -0.913 1.00 15.00 C ATOM 602 C PRO B 208 -7.504 3.716 0.075 1.00 15.00 C ATOM 603 O PRO B 208 -7.778 4.171 1.187 1.00 15.00 O ATOM 604 CB PRO B 208 -5.236 4.696 -0.426 1.00 15.00 C ATOM 605 CG PRO B 208 -4.967 6.166 -0.429 1.00 15.00 C ATOM 606 CD PRO B 208 -6.301 6.815 -0.233 1.00 15.00 C ATOM 0 HA PRO B 208 -6.768 4.017 -1.865 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.110 4.276 0.572 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.544 4.169 -1.083 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -4.276 6.440 0.368 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.512 6.480 -1.368 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -6.581 6.868 0.819 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -6.324 7.833 -0.621 1.00 15.00 H new ATOM 614 N PRO B 209 -7.912 2.500 -0.331 1.00 15.00 N ATOM 615 CA PRO B 209 -8.669 1.584 0.523 1.00 15.00 C ATOM 616 C PRO B 209 -8.022 1.427 1.895 1.00 15.00 C ATOM 617 O PRO B 209 -6.845 1.084 1.997 1.00 15.00 O ATOM 618 CB PRO B 209 -8.645 0.251 -0.242 1.00 15.00 C ATOM 619 CG PRO B 209 -7.696 0.449 -1.378 1.00 15.00 C ATOM 620 CD PRO B 209 -7.673 1.922 -1.655 1.00 15.00 C ATOM 0 HA PRO B 209 -9.679 1.947 0.715 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.317 -0.564 0.403 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.639 -0.009 -0.604 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.701 0.086 -1.121 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.021 -0.107 -2.257 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.717 2.241 -2.070 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.444 2.212 -2.369 1.00 15.00 H new ATOM 628 N PRO B 210 -8.796 1.695 2.959 1.00 15.00 N ATOM 629 CA PRO B 210 -8.298 1.706 4.340 1.00 15.00 C ATOM 630 C PRO B 210 -7.486 0.467 4.702 1.00 15.00 C ATOM 631 O PRO B 210 -7.882 -0.661 4.409 1.00 15.00 O ATOM 632 CB PRO B 210 -9.582 1.760 5.168 1.00 15.00 C ATOM 633 CG PRO B 210 -10.557 2.460 4.291 1.00 15.00 C ATOM 634 CD PRO B 210 -10.236 2.015 2.893 1.00 15.00 C ATOM 0 HA PRO B 210 -7.613 2.537 4.511 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -9.929 0.760 5.429 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -9.430 2.299 6.103 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -11.581 2.201 4.559 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -10.466 3.542 4.389 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.828 1.147 2.602 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.441 2.800 2.164 1.00 15.00 H new ATOM 642 N TYR B 211 -6.367 0.703 5.381 1.00 15.00 N ATOM 643 CA TYR B 211 -5.448 -0.350 5.811 1.00 15.00 C ATOM 644 C TYR B 211 -6.132 -1.363 6.746 1.00 15.00 C ATOM 645 O TYR B 211 -5.572 -2.417 7.054 1.00 15.00 O ATOM 646 CB TYR B 211 -4.238 0.312 6.492 1.00 15.00 C ATOM 647 CG TYR B 211 -3.368 -0.621 7.302 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.555 -1.566 6.693 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.369 -0.550 8.685 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.768 -2.418 7.443 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.587 -1.393 9.444 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.789 -2.328 8.820 1.00 15.00 C ATOM 653 OH TYR B 211 -1.010 -3.173 9.575 1.00 15.00 O ATOM 0 H TYR B 211 -6.068 1.640 5.652 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.118 -0.917 4.940 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.623 0.784 5.726 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.598 1.107 7.145 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.537 -1.637 5.615 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -3.994 0.180 9.178 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.141 -3.149 6.955 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.599 -1.322 10.522 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.141 -2.977 10.526 1.00 15.00 H new ATOM 663 N SER B 212 -7.340 -1.045 7.189 1.00 15.00 N ATOM 664 CA SER B 212 -8.091 -1.944 8.048 1.00 15.00 C ATOM 665 C SER B 212 -8.330 -3.277 7.333 1.00 15.00 C ATOM 666 O SER B 212 -7.936 -4.332 7.836 1.00 15.00 O ATOM 667 CB SER B 212 -9.414 -1.298 8.462 1.00 15.00 C ATOM 668 OG SER B 212 -10.033 -2.012 9.522 1.00 15.00 O ATOM 0 H SER B 212 -7.819 -0.172 6.967 1.00 15.00 H new ATOM 0 HA SER B 212 -7.513 -2.140 8.951 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.236 -0.268 8.771 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.086 -1.262 7.605 1.00 15.00 H new ATOM 0 HG SER B 212 -10.875 -1.573 9.764 1.00 15.00 H new ATOM 674 N ARG B 213 -8.967 -3.238 6.166 1.00 15.00 N ATOM 675 CA ARG B 213 -9.128 -4.442 5.364 1.00 15.00 C ATOM 676 C ARG B 213 -9.183 -4.117 3.871 1.00 15.00 C ATOM 677 O ARG B 213 -9.417 -2.974 3.479 1.00 15.00 O ATOM 678 CB ARG B 213 -10.346 -5.253 5.780 1.00 15.00 C ATOM 679 CG ARG B 213 -10.222 -6.698 5.342 1.00 15.00 C ATOM 680 CD ARG B 213 -9.103 -7.410 6.083 1.00 15.00 C ATOM 681 NE ARG B 213 -8.970 -8.801 5.656 1.00 15.00 N ATOM 682 CZ ARG B 213 -8.863 -9.828 6.496 1.00 15.00 C ATOM 683 NH1 ARG B 213 -8.887 -9.621 7.804 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -8.735 -11.059 6.029 1.00 15.00 N ATOM 0 H ARG B 213 -9.375 -2.396 5.760 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.247 -5.057 5.549 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.463 -5.208 6.863 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -11.244 -4.814 5.344 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -11.165 -7.215 5.520 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.033 -6.739 4.269 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.163 -6.886 5.912 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -9.297 -7.376 7.155 1.00 15.00 H new ATOM 0 HE ARG B 213 -8.958 -8.997 4.655 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.988 -8.674 8.169 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -8.805 -10.409 8.447 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -8.718 -11.223 5.022 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -8.653 -11.844 6.675 1.00 15.00 H new ATOM 698 N TYR B 214 -9.021 -5.150 3.050 1.00 15.00 N ATOM 699 CA TYR B 214 -8.667 -4.986 1.648 1.00 15.00 C ATOM 700 C TYR B 214 -9.882 -5.152 0.753 1.00 15.00 C ATOM 701 O TYR B 214 -10.760 -5.968 1.026 1.00 15.00 O ATOM 702 CB TYR B 214 -7.608 -6.034 1.255 1.00 15.00 C ATOM 703 CG TYR B 214 -6.705 -6.447 2.397 1.00 15.00 C ATOM 704 CD1 TYR B 214 -6.320 -5.531 3.360 1.00 15.00 C ATOM 705 CD2 TYR B 214 -6.276 -7.760 2.536 1.00 15.00 C ATOM 706 CE1 TYR B 214 -5.546 -5.897 4.424 1.00 15.00 C ATOM 707 CE2 TYR B 214 -5.482 -8.139 3.603 1.00 15.00 C ATOM 708 CZ TYR B 214 -5.123 -7.200 4.548 1.00 15.00 C ATOM 709 OH TYR B 214 -4.351 -7.568 5.627 1.00 15.00 O ATOM 0 H TYR B 214 -9.132 -6.122 3.339 1.00 15.00 H new ATOM 0 HA TYR B 214 -8.270 -3.980 1.515 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.112 -6.918 0.865 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.996 -5.633 0.447 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.639 -4.503 3.268 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.566 -8.496 1.801 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.266 -5.165 5.167 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.146 -9.161 3.696 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.137 -8.523 5.566 1.00 15.00 H new ATOM 719 N PRO B 215 -9.919 -4.402 -0.352 1.00 15.00 N ATOM 720 CA PRO B 215 -10.945 -4.548 -1.396 1.00 15.00 C ATOM 721 C PRO B 215 -10.767 -5.838 -2.206 1.00 15.00 C ATOM 722 O PRO B 215 -11.376 -6.013 -3.262 1.00 15.00 O ATOM 723 CB PRO B 215 -10.709 -3.322 -2.285 1.00 15.00 C ATOM 724 CG PRO B 215 -9.271 -2.990 -2.089 1.00 15.00 C ATOM 725 CD PRO B 215 -8.971 -3.319 -0.658 1.00 15.00 C ATOM 0 HA PRO B 215 -11.951 -4.608 -0.982 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.927 -3.542 -3.330 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.351 -2.491 -1.994 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.640 -3.568 -2.764 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.080 -1.937 -2.297 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.938 -3.641 -0.528 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -9.121 -2.457 -0.007 1.00 15.00 H new ATOM 733 N MET B 216 -9.926 -6.734 -1.702 1.00 15.00 N ATOM 734 CA MET B 216 -9.697 -8.028 -2.336 1.00 15.00 C ATOM 735 C MET B 216 -9.930 -9.163 -1.339 1.00 15.00 C ATOM 736 O MET B 216 -10.537 -10.180 -1.673 1.00 15.00 O ATOM 737 CB MET B 216 -8.272 -8.116 -2.898 1.00 15.00 C ATOM 738 CG MET B 216 -7.947 -9.458 -3.542 1.00 15.00 C ATOM 739 SD MET B 216 -8.915 -9.777 -5.033 1.00 15.00 S ATOM 740 CE MET B 216 -8.280 -8.502 -6.119 1.00 15.00 C ATOM 0 H MET B 216 -9.387 -6.586 -0.849 1.00 15.00 H new ATOM 0 HA MET B 216 -10.405 -8.127 -3.159 1.00 15.00 H new ATOM 0 HB2 MET B 216 -8.133 -7.326 -3.636 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.562 -7.928 -2.093 1.00 15.00 H new ATOM 0 HG2 MET B 216 -6.886 -9.488 -3.791 1.00 15.00 H new ATOM 0 HG3 MET B 216 -8.128 -10.255 -2.820 1.00 15.00 H new ATOM 0 HE1 MET B 216 -8.509 -8.758 -7.153 1.00 15.00 H new ATOM 0 HE2 MET B 216 -8.744 -7.548 -5.870 1.00 15.00 H new ATOM 0 HE3 MET B 216 -7.200 -8.424 -5.995 1.00 15.00 H new ATOM 750 N ASP B 217 -9.435 -8.988 -0.121 1.00 15.00 N ATOM 751 CA ASP B 217 -9.572 -10.006 0.914 1.00 15.00 C ATOM 752 C ASP B 217 -10.234 -9.409 2.147 1.00 15.00 C ATOM 753 O ASP B 217 -9.543 -8.720 2.924 1.00 15.00 O ATOM 754 CB ASP B 217 -8.204 -10.597 1.281 1.00 15.00 C ATOM 755 CG ASP B 217 -8.306 -11.759 2.257 1.00 15.00 C ATOM 756 OD1 ASP B 217 -8.314 -11.528 3.483 1.00 15.00 O ATOM 757 OD2 ASP B 217 -8.365 -12.919 1.801 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -11.454 -9.618 2.322 1.00 15.00 O ATOM 0 H ASP B 217 -8.934 -8.150 0.175 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.199 -10.809 0.527 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -7.704 -10.934 0.373 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -7.581 -9.816 1.717 1.00 15.00 H new TER 763 ASP B 217