USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=10 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= -0.216 K(o=-2.5,f=-0.41) USER MOD Set 1.2: B 211 TYR OH : rot -90:sc= -2.28! USER MOD Set 2.1: A 238 GLN : amide:sc= -2.82! C(o=-2.8!,f=-3.6!) USER MOD Set 2.2: A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 241 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 247 TYR OH : rot 60:sc= -1.84 USER MOD Single : A 248 TYR OH : rot -30:sc= -1.17 USER MOD Single : A 250 ASN : amide:sc= 0.375 K(o=0.37,f=-12!) USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.033) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 40:sc= 0.204 USER MOD Single : A 256 THR OG1 : rot -129:sc= -0.0168 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 36:sc= 0.121 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.224 -1.383 -5.795 1.00 15.00 N ATOM 2 CA GLY A 230 10.584 -1.979 -5.776 1.00 15.00 C ATOM 3 C GLY A 230 10.970 -2.464 -4.394 1.00 15.00 C ATOM 4 O GLY A 230 10.201 -3.179 -3.753 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.625 -2.812 -6.477 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.309 -1.240 -6.117 1.00 15.00 H new ATOM 10 N PRO A 231 12.171 -2.116 -3.914 1.00 15.00 N ATOM 11 CA PRO A 231 12.590 -2.400 -2.548 1.00 15.00 C ATOM 12 C PRO A 231 12.077 -1.338 -1.581 1.00 15.00 C ATOM 13 O PRO A 231 12.596 -0.222 -1.532 1.00 15.00 O ATOM 14 CB PRO A 231 14.124 -2.372 -2.615 1.00 15.00 C ATOM 15 CG PRO A 231 14.478 -2.001 -4.027 1.00 15.00 C ATOM 16 CD PRO A 231 13.234 -1.444 -4.659 1.00 15.00 C ATOM 0 HA PRO A 231 12.198 -3.350 -2.185 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.531 -1.648 -1.909 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.542 -3.343 -2.352 1.00 15.00 H new ATOM 0 HG2 PRO A 231 15.281 -1.265 -4.042 1.00 15.00 H new ATOM 0 HG3 PRO A 231 14.833 -2.872 -4.577 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.178 -0.360 -4.557 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.186 -1.667 -5.725 1.00 15.00 H new ATOM 24 N LEU A 232 11.029 -1.673 -0.846 1.00 15.00 N ATOM 25 CA LEU A 232 10.375 -0.716 0.034 1.00 15.00 C ATOM 26 C LEU A 232 11.034 -0.653 1.399 1.00 15.00 C ATOM 27 O LEU A 232 11.759 -1.569 1.780 1.00 15.00 O ATOM 28 CB LEU A 232 8.869 -0.960 0.206 1.00 15.00 C ATOM 29 CG LEU A 232 8.015 -0.575 -0.989 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.375 0.810 -1.492 1.00 15.00 C ATOM 31 CD2 LEU A 232 8.140 -1.602 -2.100 1.00 15.00 C ATOM 0 H LEU A 232 10.611 -2.604 -0.841 1.00 15.00 H new ATOM 0 HA LEU A 232 10.495 0.243 -0.470 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.710 -2.017 0.422 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.523 -0.401 1.076 1.00 15.00 H new ATOM 0 HG LEU A 232 6.975 -0.555 -0.663 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.748 1.060 -2.348 1.00 15.00 H new ATOM 0 HD12 LEU A 232 8.213 1.539 -0.698 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.423 0.827 -1.792 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.519 -1.303 -2.944 1.00 15.00 H new ATOM 0 HD22 LEU A 232 9.180 -1.667 -2.420 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.811 -2.575 -1.735 1.00 15.00 H new ATOM 43 N PRO A 233 10.788 0.440 2.158 1.00 15.00 N ATOM 44 CA PRO A 233 11.339 0.626 3.515 1.00 15.00 C ATOM 45 C PRO A 233 10.912 -0.491 4.475 1.00 15.00 C ATOM 46 O PRO A 233 11.359 -0.538 5.624 1.00 15.00 O ATOM 47 CB PRO A 233 10.702 1.955 3.951 1.00 15.00 C ATOM 48 CG PRO A 233 10.481 2.673 2.676 1.00 15.00 C ATOM 49 CD PRO A 233 9.954 1.610 1.774 1.00 15.00 C ATOM 0 HA PRO A 233 12.429 0.615 3.525 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.767 1.794 4.487 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.359 2.514 4.617 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.770 3.491 2.792 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.405 3.106 2.292 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.892 1.426 1.937 1.00 15.00 H new ATOM 0 HD3 PRO A 233 10.075 1.870 0.722 1.00 15.00 H new ATOM 57 N ASP A 234 9.978 -1.327 4.005 1.00 15.00 N ATOM 58 CA ASP A 234 9.485 -2.504 4.735 1.00 15.00 C ATOM 59 C ASP A 234 8.448 -2.098 5.758 1.00 15.00 C ATOM 60 O ASP A 234 8.020 -2.898 6.590 1.00 15.00 O ATOM 61 CB ASP A 234 10.619 -3.297 5.399 1.00 15.00 C ATOM 62 CG ASP A 234 11.545 -3.951 4.392 1.00 15.00 C ATOM 63 OD1 ASP A 234 11.151 -4.975 3.788 1.00 15.00 O1- ATOM 64 OD2 ASP A 234 12.664 -3.439 4.192 1.00 15.00 O ATOM 0 H ASP A 234 9.536 -1.204 3.094 1.00 15.00 H new ATOM 0 HA ASP A 234 9.021 -3.164 4.003 1.00 15.00 H new ATOM 0 HB2 ASP A 234 11.197 -2.630 6.038 1.00 15.00 H new ATOM 0 HB3 ASP A 234 10.191 -4.064 6.044 1.00 15.00 H new ATOM 69 N GLY A 235 8.032 -0.847 5.674 1.00 15.00 N ATOM 70 CA GLY A 235 6.904 -0.394 6.447 1.00 15.00 C ATOM 71 C GLY A 235 5.610 -0.695 5.727 1.00 15.00 C ATOM 72 O GLY A 235 4.570 -0.865 6.349 1.00 15.00 O ATOM 0 H GLY A 235 8.459 -0.136 5.081 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.906 -0.881 7.422 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.986 0.678 6.626 1.00 15.00 H new ATOM 76 N TRP A 236 5.698 -0.796 4.406 1.00 15.00 N ATOM 77 CA TRP A 236 4.532 -1.030 3.567 1.00 15.00 C ATOM 78 C TRP A 236 4.787 -2.000 2.430 1.00 15.00 C ATOM 79 O TRP A 236 5.886 -2.073 1.878 1.00 15.00 O ATOM 80 CB TRP A 236 3.939 0.276 3.036 1.00 15.00 C ATOM 81 CG TRP A 236 4.890 1.420 2.831 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.225 1.392 2.533 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.532 2.799 2.933 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.709 2.676 2.464 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.686 3.553 2.702 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.335 3.462 3.203 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.682 4.945 2.737 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.329 4.841 3.234 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.498 5.571 3.003 1.00 15.00 C ATOM 0 H TRP A 236 6.574 -0.718 3.890 1.00 15.00 H new ATOM 0 HA TRP A 236 3.800 -1.502 4.222 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.452 0.065 2.084 1.00 15.00 H new ATOM 0 HB3 TRP A 236 3.161 0.601 3.727 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.809 0.497 2.376 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.676 2.934 2.267 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.428 2.905 3.385 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.585 5.510 2.560 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.407 5.364 3.440 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.464 6.650 3.035 1.00 15.00 H new ATOM 100 N GLU A 237 3.721 -2.713 2.076 1.00 15.00 N ATOM 101 CA GLU A 237 3.758 -3.760 1.067 1.00 15.00 C ATOM 102 C GLU A 237 2.676 -3.452 0.020 1.00 15.00 C ATOM 103 O GLU A 237 1.559 -3.078 0.382 1.00 15.00 O ATOM 104 CB GLU A 237 3.471 -5.105 1.758 1.00 15.00 C ATOM 105 CG GLU A 237 4.135 -6.318 1.123 1.00 15.00 C ATOM 106 CD GLU A 237 3.882 -6.458 -0.362 1.00 15.00 C ATOM 107 OE1 GLU A 237 4.639 -5.857 -1.158 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 2.944 -7.187 -0.740 1.00 15.00 O ATOM 0 H GLU A 237 2.798 -2.576 2.488 1.00 15.00 H new ATOM 0 HA GLU A 237 4.730 -3.809 0.577 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.794 -5.037 2.797 1.00 15.00 H new ATOM 0 HB3 GLU A 237 2.393 -5.266 1.769 1.00 15.00 H new ATOM 0 HG2 GLU A 237 5.210 -6.260 1.293 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.781 -7.217 1.627 1.00 15.00 H new ATOM 115 N GLN A 238 2.995 -3.620 -1.261 1.00 15.00 N ATOM 116 CA GLN A 238 2.065 -3.271 -2.334 1.00 15.00 C ATOM 117 C GLN A 238 1.172 -4.469 -2.707 1.00 15.00 C ATOM 118 O GLN A 238 1.673 -5.531 -3.084 1.00 15.00 O ATOM 119 CB GLN A 238 2.839 -2.737 -3.561 1.00 15.00 C ATOM 120 CG GLN A 238 2.026 -2.619 -4.846 1.00 15.00 C ATOM 121 CD GLN A 238 2.046 -3.892 -5.677 1.00 15.00 C ATOM 122 OE1 GLN A 238 1.107 -4.184 -6.411 1.00 15.00 O ATOM 123 NE2 GLN A 238 3.119 -4.662 -5.566 1.00 15.00 N ATOM 0 H GLN A 238 3.888 -3.995 -1.582 1.00 15.00 H new ATOM 0 HA GLN A 238 1.407 -2.478 -1.977 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.243 -1.755 -3.315 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.689 -3.394 -3.748 1.00 15.00 H new ATOM 0 HG2 GLN A 238 0.995 -2.370 -4.596 1.00 15.00 H new ATOM 0 HG3 GLN A 238 2.417 -1.795 -5.443 1.00 15.00 H new ATOM 0 HE21 GLN A 238 3.881 -4.388 -4.946 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.183 -5.528 -6.101 1.00 15.00 H new ATOM 132 N ALA A 239 -0.150 -4.303 -2.594 1.00 15.00 N ATOM 133 CA ALA A 239 -1.092 -5.341 -2.980 1.00 15.00 C ATOM 134 C ALA A 239 -1.974 -4.841 -4.117 1.00 15.00 C ATOM 135 O ALA A 239 -2.227 -3.642 -4.227 1.00 15.00 O ATOM 136 CB ALA A 239 -1.940 -5.763 -1.791 1.00 15.00 C ATOM 0 H ALA A 239 -0.586 -3.453 -2.236 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.535 -6.213 -3.323 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.639 -6.540 -2.100 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.294 -6.148 -1.002 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.496 -4.903 -1.417 1.00 15.00 H new ATOM 142 N MET A 240 -2.423 -5.754 -4.965 1.00 15.00 N ATOM 143 CA MET A 240 -3.237 -5.390 -6.119 1.00 15.00 C ATOM 144 C MET A 240 -4.709 -5.693 -5.863 1.00 15.00 C ATOM 145 O MET A 240 -5.080 -6.844 -5.634 1.00 15.00 O ATOM 146 CB MET A 240 -2.772 -6.152 -7.363 1.00 15.00 C ATOM 147 CG MET A 240 -1.299 -5.974 -7.675 1.00 15.00 C ATOM 148 SD MET A 240 -0.789 -6.878 -9.151 1.00 15.00 S ATOM 149 CE MET A 240 0.973 -6.551 -9.153 1.00 15.00 C ATOM 0 H MET A 240 -2.238 -6.753 -4.877 1.00 15.00 H new ATOM 0 HA MET A 240 -3.120 -4.319 -6.285 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.979 -7.213 -7.226 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.358 -5.821 -8.220 1.00 15.00 H new ATOM 0 HG2 MET A 240 -1.086 -4.914 -7.811 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.708 -6.312 -6.824 1.00 15.00 H new ATOM 0 HE1 MET A 240 1.434 -7.044 -10.009 1.00 15.00 H new ATOM 0 HE2 MET A 240 1.144 -5.476 -9.219 1.00 15.00 H new ATOM 0 HE3 MET A 240 1.415 -6.933 -8.233 1.00 15.00 H new ATOM 159 N THR A 241 -5.545 -4.664 -5.906 1.00 15.00 N ATOM 160 CA THR A 241 -6.979 -4.853 -5.753 1.00 15.00 C ATOM 161 C THR A 241 -7.667 -4.824 -7.116 1.00 15.00 C ATOM 162 O THR A 241 -7.213 -4.136 -8.045 1.00 15.00 O ATOM 163 CB THR A 241 -7.616 -3.800 -4.813 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.007 -4.087 -4.630 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.463 -2.387 -5.359 1.00 15.00 C ATOM 0 H THR A 241 -5.256 -3.696 -6.045 1.00 15.00 H new ATOM 0 HA THR A 241 -7.125 -5.830 -5.292 1.00 15.00 H new ATOM 0 HB THR A 241 -7.092 -3.854 -3.858 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.110 -4.795 -3.961 1.00 15.00 H new ATOM 0 HG21 THR A 241 -7.923 -1.679 -4.670 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.404 -2.152 -5.468 1.00 15.00 H new ATOM 0 HG23 THR A 241 -7.952 -2.318 -6.331 1.00 15.00 H new ATOM 173 N GLN A 242 -8.770 -5.564 -7.224 1.00 15.00 N ATOM 174 CA GLN A 242 -9.492 -5.708 -8.484 1.00 15.00 C ATOM 175 C GLN A 242 -10.171 -4.399 -8.880 1.00 15.00 C ATOM 176 O GLN A 242 -10.687 -4.259 -9.989 1.00 15.00 O ATOM 177 CB GLN A 242 -10.501 -6.857 -8.410 1.00 15.00 C ATOM 178 CG GLN A 242 -11.103 -7.214 -9.761 1.00 15.00 C ATOM 179 CD GLN A 242 -11.694 -8.609 -9.805 1.00 15.00 C ATOM 180 OE1 GLN A 242 -12.174 -9.133 -8.799 1.00 15.00 O ATOM 181 NE2 GLN A 242 -11.653 -9.222 -10.977 1.00 15.00 N ATOM 0 H GLN A 242 -9.185 -6.076 -6.446 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.767 -5.953 -9.260 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -10.010 -7.737 -7.994 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -11.302 -6.585 -7.723 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.880 -6.490 -10.007 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -10.333 -7.129 -10.528 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -11.246 -8.751 -11.785 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -12.028 -10.166 -11.072 1.00 15.00 H new ATOM 190 N ASP A 243 -10.172 -3.438 -7.958 1.00 15.00 N ATOM 191 CA ASP A 243 -10.629 -2.082 -8.254 1.00 15.00 C ATOM 192 C ASP A 243 -9.764 -1.471 -9.364 1.00 15.00 C ATOM 193 O ASP A 243 -10.111 -0.450 -9.957 1.00 15.00 O ATOM 194 CB ASP A 243 -10.580 -1.217 -6.986 1.00 15.00 C ATOM 195 CG ASP A 243 -11.161 0.171 -7.187 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.397 0.293 -7.306 1.00 15.00 O1- ATOM 197 OD2 ASP A 243 -10.386 1.147 -7.213 1.00 15.00 O ATOM 0 H ASP A 243 -9.860 -3.574 -6.996 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.662 -2.120 -8.600 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.127 -1.721 -6.189 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.545 -1.127 -6.655 1.00 15.00 H new ATOM 202 N GLY A 244 -8.643 -2.131 -9.654 1.00 15.00 N ATOM 203 CA GLY A 244 -7.777 -1.715 -10.743 1.00 15.00 C ATOM 204 C GLY A 244 -6.596 -0.885 -10.284 1.00 15.00 C ATOM 205 O GLY A 244 -6.020 -0.141 -11.075 1.00 15.00 O ATOM 0 H GLY A 244 -8.318 -2.955 -9.147 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -7.410 -2.599 -11.265 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -8.360 -1.139 -11.462 1.00 15.00 H new ATOM 209 N GLU A 245 -6.211 -1.029 -9.021 1.00 15.00 N ATOM 210 CA GLU A 245 -5.163 -0.192 -8.443 1.00 15.00 C ATOM 211 C GLU A 245 -4.324 -0.976 -7.446 1.00 15.00 C ATOM 212 O GLU A 245 -4.809 -1.916 -6.810 1.00 15.00 O ATOM 213 CB GLU A 245 -5.765 1.035 -7.748 1.00 15.00 C ATOM 214 CG GLU A 245 -6.272 2.110 -8.697 1.00 15.00 C ATOM 215 CD GLU A 245 -5.175 2.665 -9.589 1.00 15.00 C ATOM 216 OE1 GLU A 245 -4.039 2.838 -9.109 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -5.446 2.921 -10.781 1.00 15.00 O ATOM 0 H GLU A 245 -6.607 -1.715 -8.378 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.523 0.139 -9.261 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.589 0.710 -7.113 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.012 1.472 -7.093 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -7.066 1.696 -9.318 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -6.711 2.923 -8.118 1.00 15.00 H new ATOM 224 N ILE A 246 -3.065 -0.594 -7.324 1.00 15.00 N ATOM 225 CA ILE A 246 -2.181 -1.182 -6.332 1.00 15.00 C ATOM 226 C ILE A 246 -2.050 -0.233 -5.144 1.00 15.00 C ATOM 227 O ILE A 246 -2.066 0.985 -5.315 1.00 15.00 O ATOM 228 CB ILE A 246 -0.787 -1.497 -6.923 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.053 -0.211 -7.324 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.930 -2.422 -8.124 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.308 -0.453 -7.949 1.00 15.00 C ATOM 0 H ILE A 246 -2.630 0.124 -7.903 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.616 -2.126 -6.003 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.194 -1.996 -6.156 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.672 0.345 -8.028 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.069 0.417 -6.441 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.056 -2.640 -8.535 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.407 -3.352 -7.813 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.542 -1.938 -8.885 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.765 0.502 -8.206 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.945 -0.981 -7.240 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.193 -1.054 -8.851 1.00 15.00 H new ATOM 243 N TYR A 247 -1.950 -0.781 -3.942 1.00 15.00 N ATOM 244 CA TYR A 247 -1.898 0.046 -2.744 1.00 15.00 C ATOM 245 C TYR A 247 -0.901 -0.519 -1.728 1.00 15.00 C ATOM 246 O TYR A 247 -0.710 -1.732 -1.639 1.00 15.00 O ATOM 247 CB TYR A 247 -3.293 0.164 -2.108 1.00 15.00 C ATOM 248 CG TYR A 247 -3.879 -1.153 -1.644 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.335 -2.091 -2.558 1.00 15.00 C ATOM 250 CD2 TYR A 247 -3.965 -1.459 -0.290 1.00 15.00 C ATOM 251 CE1 TYR A 247 -4.861 -3.297 -2.140 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.489 -2.665 0.137 1.00 15.00 C ATOM 253 CZ TYR A 247 -4.933 -3.580 -0.795 1.00 15.00 C ATOM 254 OH TYR A 247 -5.453 -4.782 -0.379 1.00 15.00 O ATOM 0 H TYR A 247 -1.904 -1.785 -3.770 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.561 1.040 -3.038 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.235 0.843 -1.257 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -3.972 0.616 -2.831 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.278 -1.874 -3.615 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.617 -0.743 0.440 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.214 -4.015 -2.865 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.550 -2.889 1.192 1.00 15.00 H new ATOM 0 HH TYR A 247 -4.919 -5.515 -0.750 1.00 15.00 H new ATOM 264 N TYR A 248 -0.295 0.372 -0.952 1.00 15.00 N ATOM 265 CA TYR A 248 0.679 0.008 0.061 1.00 15.00 C ATOM 266 C TYR A 248 0.064 0.016 1.451 1.00 15.00 C ATOM 267 O TYR A 248 -0.446 1.043 1.910 1.00 15.00 O ATOM 268 CB TYR A 248 1.858 0.982 0.031 1.00 15.00 C ATOM 269 CG TYR A 248 2.892 0.644 -1.013 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.803 1.139 -2.310 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.958 -0.182 -0.700 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.751 0.809 -3.262 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.901 -0.510 -1.646 1.00 15.00 C ATOM 274 CZ TYR A 248 4.795 -0.014 -2.924 1.00 15.00 C ATOM 275 OH TYR A 248 5.737 -0.353 -3.869 1.00 15.00 O ATOM 0 H TYR A 248 -0.470 1.375 -1.012 1.00 15.00 H new ATOM 0 HA TYR A 248 1.024 -1.002 -0.162 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.483 1.989 -0.154 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.334 0.994 1.012 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.983 1.789 -2.577 1.00 15.00 H new ATOM 0 HD2 TYR A 248 4.051 -0.575 0.302 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.669 1.197 -4.266 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.725 -1.157 -1.385 1.00 15.00 H new ATOM 0 HH TYR A 248 5.321 -0.362 -4.756 1.00 15.00 H new ATOM 285 N ILE A 249 0.123 -1.124 2.115 1.00 15.00 N ATOM 286 CA ILE A 249 -0.302 -1.227 3.498 1.00 15.00 C ATOM 287 C ILE A 249 0.873 -0.943 4.427 1.00 15.00 C ATOM 288 O ILE A 249 1.792 -1.755 4.541 1.00 15.00 O ATOM 289 CB ILE A 249 -0.881 -2.629 3.808 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.004 -3.732 3.202 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.310 -2.737 3.304 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.472 -5.133 3.529 1.00 15.00 C ATOM 0 H ILE A 249 0.464 -1.998 1.714 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.087 -0.489 3.662 1.00 15.00 H new ATOM 0 HB ILE A 249 -0.887 -2.764 4.890 1.00 15.00 H new ATOM 0 HG12 ILE A 249 0.020 -3.610 2.119 1.00 15.00 H new ATOM 0 HG13 ILE A 249 1.018 -3.608 3.559 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -2.702 -3.729 3.530 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -2.926 -1.983 3.794 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.329 -2.577 2.226 1.00 15.00 H new ATOM 0 HD11 ILE A 249 0.198 -5.858 3.066 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -0.469 -5.275 4.610 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.483 -5.277 3.147 1.00 15.00 H new ATOM 304 N ASN A 250 0.856 0.209 5.086 1.00 15.00 N ATOM 305 CA ASN A 250 1.952 0.570 5.972 1.00 15.00 C ATOM 306 C ASN A 250 1.650 0.040 7.384 1.00 15.00 C ATOM 307 O ASN A 250 0.758 0.567 8.055 1.00 15.00 O ATOM 308 CB ASN A 250 2.163 2.093 6.005 1.00 15.00 C ATOM 309 CG ASN A 250 3.340 2.521 6.877 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.667 1.884 7.879 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.985 3.613 6.505 1.00 15.00 N ATOM 0 H ASN A 250 0.107 0.899 5.025 1.00 15.00 H new ATOM 0 HA ASN A 250 2.872 0.120 5.598 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.323 2.453 4.989 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.255 2.571 6.373 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.777 3.949 7.053 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.691 4.120 5.670 1.00 15.00 H new ATOM 318 N HIS A 251 2.380 -1.003 7.835 1.00 15.00 N ATOM 319 CA HIS A 251 2.080 -1.681 9.086 1.00 15.00 C ATOM 320 C HIS A 251 2.544 -0.869 10.292 1.00 15.00 C ATOM 321 O HIS A 251 2.136 -1.133 11.422 1.00 15.00 O ATOM 322 CB HIS A 251 2.753 -3.064 9.112 1.00 15.00 C ATOM 323 CG HIS A 251 2.258 -4.025 8.065 1.00 15.00 C ATOM 324 ND1 HIS A 251 2.966 -4.338 6.918 1.00 15.00 N ATOM 325 CD2 HIS A 251 1.127 -4.770 8.013 1.00 15.00 C ATOM 326 CE1 HIS A 251 2.289 -5.226 6.216 1.00 15.00 C ATOM 327 NE2 HIS A 251 1.171 -5.508 6.856 1.00 15.00 N ATOM 0 H HIS A 251 3.184 -1.386 7.337 1.00 15.00 H new ATOM 0 HA HIS A 251 0.998 -1.794 9.147 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.828 -2.932 8.986 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.600 -3.509 10.095 1.00 15.00 H new ATOM 0 HD2 HIS A 251 0.335 -4.781 8.748 1.00 15.00 H new ATOM 0 HE1 HIS A 251 2.599 -5.652 5.273 1.00 15.00 H new ATOM 0 HE2 HIS A 251 0.457 -6.166 6.543 1.00 15.00 H new ATOM 336 N LYS A 252 3.409 0.106 10.060 1.00 15.00 N ATOM 337 CA LYS A 252 3.950 0.906 11.152 1.00 15.00 C ATOM 338 C LYS A 252 3.037 2.082 11.479 1.00 15.00 C ATOM 339 O LYS A 252 2.813 2.397 12.648 1.00 15.00 O ATOM 340 CB LYS A 252 5.350 1.423 10.818 1.00 15.00 C ATOM 341 CG LYS A 252 6.378 0.328 10.578 1.00 15.00 C ATOM 342 CD LYS A 252 7.783 0.902 10.461 1.00 15.00 C ATOM 343 CE LYS A 252 7.903 1.888 9.308 1.00 15.00 C ATOM 344 NZ LYS A 252 9.256 2.498 9.246 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.750 0.363 9.134 1.00 15.00 H new ATOM 0 HA LYS A 252 4.013 0.256 12.025 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.291 2.051 9.929 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.695 2.057 11.634 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.344 -0.391 11.397 1.00 15.00 H new ATOM 0 HG3 LYS A 252 6.128 -0.215 9.666 1.00 15.00 H new ATOM 0 HD2 LYS A 252 8.050 1.400 11.393 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.496 0.090 10.319 1.00 15.00 H new ATOM 0 HE2 LYS A 252 7.691 1.377 8.369 1.00 15.00 H new ATOM 0 HE3 LYS A 252 7.155 2.673 9.421 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 9.300 3.164 8.448 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 9.449 3.006 10.133 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 9.968 1.751 9.113 1.00 15.00 H new ATOM 358 N ASN A 253 2.527 2.738 10.445 1.00 15.00 N ATOM 359 CA ASN A 253 1.673 3.907 10.635 1.00 15.00 C ATOM 360 C ASN A 253 0.205 3.544 10.489 1.00 15.00 C ATOM 361 O ASN A 253 -0.668 4.383 10.711 1.00 15.00 O ATOM 362 CB ASN A 253 2.034 5.018 9.640 1.00 15.00 C ATOM 363 CG ASN A 253 3.380 5.660 9.924 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.073 6.105 9.008 1.00 15.00 O ATOM 365 ND2 ASN A 253 3.757 5.723 11.196 1.00 15.00 N ATOM 0 H ASN A 253 2.688 2.484 9.470 1.00 15.00 H new ATOM 0 HA ASN A 253 1.842 4.272 11.648 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.041 4.605 8.631 1.00 15.00 H new ATOM 0 HB3 ASN A 253 1.260 5.785 9.665 1.00 15.00 H new ATOM 0 HD21 ASN A 253 4.649 6.152 11.443 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.154 5.343 11.926 1.00 15.00 H new ATOM 372 N LYS A 254 -0.062 2.296 10.100 1.00 15.00 N ATOM 373 CA LYS A 254 -1.434 1.817 9.923 1.00 15.00 C ATOM 374 C LYS A 254 -2.142 2.675 8.866 1.00 15.00 C ATOM 375 O LYS A 254 -3.352 2.901 8.918 1.00 15.00 O ATOM 376 CB LYS A 254 -2.177 1.871 11.266 1.00 15.00 C ATOM 377 CG LYS A 254 -3.487 1.099 11.287 1.00 15.00 C ATOM 378 CD LYS A 254 -4.240 1.307 12.586 1.00 15.00 C ATOM 379 CE LYS A 254 -4.639 2.761 12.768 1.00 15.00 C ATOM 380 NZ LYS A 254 -5.416 2.968 14.014 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.655 1.598 9.901 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.425 0.783 9.579 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.524 1.478 12.045 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.379 2.913 11.515 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -4.110 1.416 10.451 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.286 0.037 11.149 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.131 0.679 12.596 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.618 0.991 13.424 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -3.744 3.383 12.790 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -5.231 3.085 11.912 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -5.670 3.973 14.102 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -6.283 2.394 13.982 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -4.842 2.683 14.833 1.00 15.00 H new ATOM 394 N THR A 255 -1.374 3.104 7.874 1.00 15.00 N ATOM 395 CA THR A 255 -1.858 4.055 6.880 1.00 15.00 C ATOM 396 C THR A 255 -1.743 3.467 5.463 1.00 15.00 C ATOM 397 O THR A 255 -0.813 2.708 5.187 1.00 15.00 O ATOM 398 CB THR A 255 -1.045 5.370 6.967 1.00 15.00 C ATOM 399 OG1 THR A 255 -1.044 5.859 8.317 1.00 15.00 O ATOM 400 CG2 THR A 255 -1.612 6.443 6.048 1.00 15.00 C ATOM 0 H THR A 255 -0.408 2.807 7.735 1.00 15.00 H new ATOM 0 HA THR A 255 -2.908 4.264 7.086 1.00 15.00 H new ATOM 0 HB THR A 255 -0.027 5.147 6.649 1.00 15.00 H new ATOM 0 HG1 THR A 255 -0.954 5.106 8.938 1.00 15.00 H new ATOM 0 HG21 THR A 255 -1.015 7.351 6.137 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.585 6.090 5.017 1.00 15.00 H new ATOM 0 HG23 THR A 255 -2.643 6.657 6.331 1.00 15.00 H new ATOM 408 N THR A 256 -2.684 3.795 4.574 1.00 15.00 N ATOM 409 CA THR A 256 -2.610 3.342 3.194 1.00 15.00 C ATOM 410 C THR A 256 -2.054 4.448 2.294 1.00 15.00 C ATOM 411 O THR A 256 -2.471 5.603 2.388 1.00 15.00 O ATOM 412 CB THR A 256 -3.997 2.915 2.668 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.741 2.257 3.705 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.850 1.967 1.490 1.00 15.00 C ATOM 0 H THR A 256 -3.499 4.369 4.789 1.00 15.00 H new ATOM 0 HA THR A 256 -1.943 2.480 3.171 1.00 15.00 H new ATOM 0 HB THR A 256 -4.528 3.812 2.348 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.085 1.403 3.369 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.837 1.676 1.132 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.305 2.465 0.688 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.302 1.079 1.804 1.00 15.00 H new ATOM 422 N SER A 257 -1.105 4.094 1.440 1.00 15.00 N ATOM 423 CA SER A 257 -0.539 5.029 0.475 1.00 15.00 C ATOM 424 C SER A 257 -0.494 4.350 -0.886 1.00 15.00 C ATOM 425 O SER A 257 -0.349 3.144 -0.952 1.00 15.00 O ATOM 426 CB SER A 257 0.863 5.465 0.909 1.00 15.00 C ATOM 427 OG SER A 257 1.380 6.461 0.042 1.00 15.00 O ATOM 0 H SER A 257 -0.706 3.156 1.395 1.00 15.00 H new ATOM 0 HA SER A 257 -1.160 5.923 0.418 1.00 15.00 H new ATOM 0 HB2 SER A 257 0.828 5.849 1.929 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.530 4.603 0.915 1.00 15.00 H new ATOM 0 HG SER A 257 2.275 6.723 0.342 1.00 15.00 H new ATOM 433 N TRP A 258 -0.607 5.110 -1.963 1.00 15.00 N ATOM 434 CA TRP A 258 -0.749 4.518 -3.293 1.00 15.00 C ATOM 435 C TRP A 258 0.540 3.891 -3.829 1.00 15.00 C ATOM 436 O TRP A 258 0.638 2.673 -3.969 1.00 15.00 O ATOM 437 CB TRP A 258 -1.262 5.555 -4.294 1.00 15.00 C ATOM 438 CG TRP A 258 -2.730 5.819 -4.184 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.335 7.013 -3.928 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.783 4.857 -4.326 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.699 6.854 -3.912 1.00 15.00 N ATOM 442 CE2 TRP A 258 -4.997 5.540 -4.153 1.00 15.00 C ATOM 443 CE3 TRP A 258 -3.813 3.486 -4.587 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.231 4.898 -4.232 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.036 2.849 -4.665 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.231 3.555 -4.489 1.00 15.00 C ATOM 0 H TRP A 258 -0.604 6.130 -1.949 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.473 3.711 -3.179 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.721 6.490 -4.145 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.037 5.214 -5.305 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.818 7.947 -3.762 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -5.380 7.595 -3.747 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -2.896 2.933 -4.726 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.154 5.441 -4.095 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.070 1.788 -4.865 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.172 3.029 -4.557 1.00 15.00 H new ATOM 457 N LEU A 259 1.527 4.721 -4.123 1.00 15.00 N ATOM 458 CA LEU A 259 2.649 4.304 -4.952 1.00 15.00 C ATOM 459 C LEU A 259 3.988 4.303 -4.235 1.00 15.00 C ATOM 460 O LEU A 259 4.166 4.935 -3.193 1.00 15.00 O ATOM 461 CB LEU A 259 2.720 5.112 -6.239 1.00 15.00 C ATOM 462 CG LEU A 259 1.868 4.540 -7.372 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.097 5.310 -8.664 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.171 3.053 -7.562 1.00 15.00 C ATOM 0 H LEU A 259 1.575 5.688 -3.801 1.00 15.00 H new ATOM 0 HA LEU A 259 2.448 3.262 -5.201 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.398 6.133 -6.035 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.758 5.164 -6.568 1.00 15.00 H new ATOM 0 HG LEU A 259 0.817 4.647 -7.103 1.00 15.00 H new ATOM 0 HD11 LEU A 259 1.480 4.884 -9.455 1.00 15.00 H new ATOM 0 HD12 LEU A 259 1.828 6.356 -8.517 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.147 5.242 -8.947 1.00 15.00 H new ATOM 0 HD21 LEU A 259 1.558 2.657 -8.372 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.225 2.925 -7.809 1.00 15.00 H new ATOM 0 HD23 LEU A 259 1.946 2.515 -6.641 1.00 15.00 H new ATOM 476 N ASP A 260 4.916 3.564 -4.840 1.00 15.00 N ATOM 477 CA ASP A 260 6.222 3.243 -4.272 1.00 15.00 C ATOM 478 C ASP A 260 7.037 4.501 -3.967 1.00 15.00 C ATOM 479 O ASP A 260 7.403 5.264 -4.863 1.00 15.00 O ATOM 480 CB ASP A 260 6.970 2.373 -5.292 1.00 15.00 C ATOM 481 CG ASP A 260 8.406 2.076 -4.915 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.241 2.997 -4.968 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 8.703 0.908 -4.588 1.00 15.00 O ATOM 0 H ASP A 260 4.775 3.161 -5.766 1.00 15.00 H new ATOM 0 HA ASP A 260 6.083 2.717 -3.327 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.435 1.431 -5.412 1.00 15.00 H new ATOM 0 HB3 ASP A 260 6.956 2.873 -6.260 1.00 15.00 H new ATOM 488 N PRO A 261 7.292 4.737 -2.669 1.00 15.00 N ATOM 489 CA PRO A 261 8.027 5.906 -2.190 1.00 15.00 C ATOM 490 C PRO A 261 9.547 5.785 -2.311 1.00 15.00 C ATOM 491 O PRO A 261 10.262 6.765 -2.106 1.00 15.00 O ATOM 492 CB PRO A 261 7.618 5.984 -0.722 1.00 15.00 C ATOM 493 CG PRO A 261 7.384 4.570 -0.325 1.00 15.00 C ATOM 494 CD PRO A 261 6.862 3.870 -1.555 1.00 15.00 C ATOM 0 HA PRO A 261 7.789 6.789 -2.783 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.400 6.442 -0.116 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.719 6.587 -0.592 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.306 4.106 0.025 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.666 4.509 0.492 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.275 2.866 -1.648 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.777 3.767 -1.525 1.00 15.00 H new ATOM 502 N ARG A 262 10.055 4.596 -2.630 1.00 15.00 N ATOM 503 CA ARG A 262 11.499 4.381 -2.584 1.00 15.00 C ATOM 504 C ARG A 262 12.182 4.959 -3.816 1.00 15.00 C ATOM 505 O ARG A 262 13.406 5.024 -3.885 1.00 15.00 O ATOM 506 CB ARG A 262 11.861 2.893 -2.370 1.00 15.00 C ATOM 507 CG ARG A 262 11.480 1.927 -3.493 1.00 15.00 C ATOM 508 CD ARG A 262 12.358 2.068 -4.731 1.00 15.00 C ATOM 509 NE ARG A 262 13.784 1.951 -4.423 1.00 15.00 N ATOM 510 CZ ARG A 262 14.759 2.273 -5.273 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.467 2.674 -6.504 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 16.025 2.186 -4.886 1.00 15.00 N ATOM 0 H ARG A 262 9.505 3.786 -2.916 1.00 15.00 H new ATOM 0 HA ARG A 262 11.877 4.920 -1.715 1.00 15.00 H new ATOM 0 HB2 ARG A 262 12.937 2.824 -2.211 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.381 2.554 -1.452 1.00 15.00 H new ATOM 0 HG2 ARG A 262 11.548 0.904 -3.122 1.00 15.00 H new ATOM 0 HG3 ARG A 262 10.440 2.097 -3.772 1.00 15.00 H new ATOM 0 HD2 ARG A 262 12.082 1.303 -5.457 1.00 15.00 H new ATOM 0 HD3 ARG A 262 12.169 3.034 -5.199 1.00 15.00 H new ATOM 0 HE ARG A 262 14.048 1.602 -3.502 1.00 15.00 H new ATOM 0 HH11 ARG A 262 13.494 2.737 -6.803 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.216 2.920 -7.151 1.00 15.00 H new ATOM 0 HH21 ARG A 262 16.249 1.874 -3.941 1.00 15.00 H new ATOM 0 HH22 ARG A 262 16.774 2.431 -5.533 1.00 15.00 H new ATOM 526 N LEU A 263 11.387 5.365 -4.793 1.00 15.00 N ATOM 527 CA LEU A 263 11.922 6.004 -5.985 1.00 15.00 C ATOM 528 C LEU A 263 12.367 7.433 -5.679 1.00 15.00 C ATOM 529 O LEU A 263 13.162 8.017 -6.421 1.00 15.00 O ATOM 530 CB LEU A 263 10.876 6.018 -7.101 1.00 15.00 C ATOM 531 CG LEU A 263 10.353 4.644 -7.523 1.00 15.00 C ATOM 532 CD1 LEU A 263 9.254 4.790 -8.563 1.00 15.00 C ATOM 533 CD2 LEU A 263 11.485 3.786 -8.062 1.00 15.00 C ATOM 0 H LEU A 263 10.372 5.264 -4.785 1.00 15.00 H new ATOM 0 HA LEU A 263 12.787 5.429 -6.315 1.00 15.00 H new ATOM 0 HB2 LEU A 263 10.031 6.626 -6.777 1.00 15.00 H new ATOM 0 HB3 LEU A 263 11.306 6.509 -7.974 1.00 15.00 H new ATOM 0 HG LEU A 263 9.935 4.150 -6.646 1.00 15.00 H new ATOM 0 HD11 LEU A 263 8.893 3.803 -8.852 1.00 15.00 H new ATOM 0 HD12 LEU A 263 8.431 5.369 -8.144 1.00 15.00 H new ATOM 0 HD13 LEU A 263 9.649 5.303 -9.440 1.00 15.00 H new ATOM 0 HD21 LEU A 263 11.095 2.812 -8.357 1.00 15.00 H new ATOM 0 HD22 LEU A 263 11.932 4.275 -8.927 1.00 15.00 H new ATOM 0 HD23 LEU A 263 12.242 3.654 -7.289 1.00 15.00 H new ATOM 545 N ASP A 264 11.836 7.992 -4.592 1.00 15.00 N ATOM 546 CA ASP A 264 12.094 9.390 -4.227 1.00 15.00 C ATOM 547 C ASP A 264 13.569 9.698 -3.911 1.00 15.00 C ATOM 548 O ASP A 264 14.101 10.684 -4.419 1.00 15.00 O ATOM 549 CB ASP A 264 11.210 9.821 -3.050 1.00 15.00 C ATOM 550 CG ASP A 264 11.488 11.245 -2.610 1.00 15.00 C ATOM 551 OD1 ASP A 264 10.958 12.178 -3.242 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 12.242 11.440 -1.630 1.00 15.00 O ATOM 0 H ASP A 264 11.222 7.498 -3.945 1.00 15.00 H new ATOM 0 HA ASP A 264 11.841 9.969 -5.116 1.00 15.00 H new ATOM 0 HB2 ASP A 264 10.162 9.729 -3.334 1.00 15.00 H new ATOM 0 HB3 ASP A 264 11.373 9.146 -2.210 1.00 15.00 H new ATOM 557 N PRO A 265 14.239 8.909 -3.042 1.00 15.00 N ATOM 558 CA PRO A 265 15.655 9.117 -2.709 1.00 15.00 C ATOM 559 C PRO A 265 16.553 9.107 -3.942 1.00 15.00 C ATOM 560 O PRO A 265 16.808 8.016 -4.489 1.00 15.00 O ATOM 561 CB PRO A 265 16.004 7.945 -1.781 1.00 15.00 C ATOM 562 CG PRO A 265 14.887 6.972 -1.932 1.00 15.00 C ATOM 563 CD PRO A 265 13.677 7.782 -2.290 1.00 15.00 C ATOM 564 OXT PRO A 265 17.007 10.194 -4.353 1.00 15.00 O ATOM 0 HA PRO A 265 15.813 10.092 -2.249 1.00 15.00 H new ATOM 0 HB2 PRO A 265 16.957 7.495 -2.059 1.00 15.00 H new ATOM 0 HB3 PRO A 265 16.098 8.277 -0.747 1.00 15.00 H new ATOM 0 HG2 PRO A 265 15.110 6.240 -2.708 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.725 6.417 -1.008 1.00 15.00 H new ATOM 0 HD2 PRO A 265 12.972 7.208 -2.891 1.00 15.00 H new ATOM 0 HD3 PRO A 265 13.140 8.118 -1.403 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -7.798 10.060 -5.444 1.00 15.00 N ATOM 574 CA SER B 206 -8.733 9.214 -4.676 1.00 15.00 C ATOM 575 C SER B 206 -8.057 8.695 -3.411 1.00 15.00 C ATOM 576 O SER B 206 -6.910 8.259 -3.454 1.00 15.00 O ATOM 577 CB SER B 206 -9.187 8.041 -5.550 1.00 15.00 C ATOM 578 OG SER B 206 -9.768 8.504 -6.760 1.00 15.00 O ATOM 0 HA SER B 206 -9.600 9.807 -4.385 1.00 15.00 H new ATOM 0 HB2 SER B 206 -8.335 7.398 -5.774 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.909 7.434 -5.004 1.00 15.00 H new ATOM 0 HG SER B 206 -9.293 9.305 -7.065 1.00 15.00 H new ATOM 586 N PRO B 207 -8.747 8.751 -2.263 1.00 15.00 N ATOM 587 CA PRO B 207 -8.237 8.181 -1.010 1.00 15.00 C ATOM 588 C PRO B 207 -8.137 6.655 -1.083 1.00 15.00 C ATOM 589 O PRO B 207 -9.073 5.990 -1.533 1.00 15.00 O ATOM 590 CB PRO B 207 -9.279 8.604 0.030 1.00 15.00 C ATOM 591 CG PRO B 207 -10.521 8.868 -0.749 1.00 15.00 C ATOM 592 CD PRO B 207 -10.069 9.377 -2.089 1.00 15.00 C ATOM 0 HA PRO B 207 -7.230 8.529 -0.778 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.437 7.820 0.771 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.957 9.493 0.571 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.115 7.960 -0.856 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.149 9.602 -0.245 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.758 9.088 -2.882 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.004 10.465 -2.105 1.00 15.00 H new ATOM 600 N PRO B 208 -7.005 6.083 -0.645 1.00 15.00 N ATOM 601 CA PRO B 208 -6.774 4.639 -0.705 1.00 15.00 C ATOM 602 C PRO B 208 -7.628 3.876 0.306 1.00 15.00 C ATOM 603 O PRO B 208 -7.841 4.343 1.428 1.00 15.00 O ATOM 604 CB PRO B 208 -5.279 4.492 -0.369 1.00 15.00 C ATOM 605 CG PRO B 208 -4.719 5.877 -0.381 1.00 15.00 C ATOM 606 CD PRO B 208 -5.864 6.784 -0.045 1.00 15.00 C ATOM 0 HA PRO B 208 -7.042 4.226 -1.677 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.142 4.024 0.606 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.775 3.860 -1.100 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.913 5.979 0.346 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -4.300 6.121 -1.357 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.983 6.907 1.031 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.731 7.780 -0.467 1.00 15.00 H new ATOM 614 N PRO B 209 -8.115 2.683 -0.090 1.00 15.00 N ATOM 615 CA PRO B 209 -8.933 1.803 0.759 1.00 15.00 C ATOM 616 C PRO B 209 -8.324 1.586 2.144 1.00 15.00 C ATOM 617 O PRO B 209 -7.102 1.494 2.291 1.00 15.00 O ATOM 618 CB PRO B 209 -8.967 0.474 -0.018 1.00 15.00 C ATOM 619 CG PRO B 209 -7.969 0.626 -1.118 1.00 15.00 C ATOM 620 CD PRO B 209 -7.916 2.091 -1.415 1.00 15.00 C ATOM 0 HA PRO B 209 -9.917 2.233 0.944 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.712 -0.365 0.629 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.963 0.278 -0.416 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.991 0.252 -0.814 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -8.268 0.058 -1.999 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.961 2.383 -1.852 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -8.694 2.393 -2.117 1.00 15.00 H new ATOM 628 N PRO B 210 -9.184 1.494 3.172 1.00 15.00 N ATOM 629 CA PRO B 210 -8.760 1.305 4.561 1.00 15.00 C ATOM 630 C PRO B 210 -7.780 0.148 4.734 1.00 15.00 C ATOM 631 O PRO B 210 -8.019 -0.969 4.276 1.00 15.00 O ATOM 632 CB PRO B 210 -10.068 1.013 5.295 1.00 15.00 C ATOM 633 CG PRO B 210 -11.111 1.688 4.479 1.00 15.00 C ATOM 634 CD PRO B 210 -10.652 1.577 3.053 1.00 15.00 C ATOM 0 HA PRO B 210 -8.225 2.177 4.938 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.252 -0.059 5.367 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.047 1.402 6.313 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.082 1.212 4.615 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.223 2.731 4.773 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -11.066 0.695 2.565 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.959 2.441 2.464 1.00 15.00 H new ATOM 642 N TYR B 211 -6.684 0.444 5.415 1.00 15.00 N ATOM 643 CA TYR B 211 -5.628 -0.524 5.700 1.00 15.00 C ATOM 644 C TYR B 211 -6.110 -1.633 6.646 1.00 15.00 C ATOM 645 O TYR B 211 -5.422 -2.634 6.849 1.00 15.00 O ATOM 646 CB TYR B 211 -4.417 0.228 6.273 1.00 15.00 C ATOM 647 CG TYR B 211 -3.439 -0.612 7.063 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.521 -1.446 6.437 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.436 -0.553 8.447 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.626 -2.198 7.179 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.550 -1.298 9.192 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.647 -2.117 8.557 1.00 15.00 C ATOM 653 OH TYR B 211 -0.766 -2.859 9.303 1.00 15.00 O ATOM 0 H TYR B 211 -6.497 1.373 5.791 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.339 -1.024 4.776 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -3.881 0.698 5.449 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -4.781 1.030 6.915 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.505 -1.508 5.359 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.142 0.090 8.951 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -0.916 -2.844 6.683 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.564 -1.239 10.270 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.167 -3.728 9.513 1.00 15.00 H new ATOM 663 N SER B 212 -7.299 -1.457 7.214 1.00 15.00 N ATOM 664 CA SER B 212 -7.815 -2.383 8.212 1.00 15.00 C ATOM 665 C SER B 212 -7.935 -3.799 7.643 1.00 15.00 C ATOM 666 O SER B 212 -7.650 -4.777 8.339 1.00 15.00 O ATOM 667 CB SER B 212 -9.165 -1.895 8.729 1.00 15.00 C ATOM 668 OG SER B 212 -9.064 -0.560 9.200 1.00 15.00 O ATOM 0 H SER B 212 -7.923 -0.680 6.999 1.00 15.00 H new ATOM 0 HA SER B 212 -7.111 -2.419 9.043 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.908 -1.951 7.933 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.510 -2.545 9.533 1.00 15.00 H new ATOM 0 HG SER B 212 -9.938 -0.261 9.526 1.00 15.00 H new ATOM 674 N ARG B 213 -8.371 -3.914 6.396 1.00 15.00 N ATOM 675 CA ARG B 213 -8.313 -5.187 5.698 1.00 15.00 C ATOM 676 C ARG B 213 -8.144 -4.962 4.201 1.00 15.00 C ATOM 677 O ARG B 213 -8.369 -3.860 3.706 1.00 15.00 O ATOM 678 CB ARG B 213 -9.541 -6.049 5.964 1.00 15.00 C ATOM 679 CG ARG B 213 -9.204 -7.527 5.894 1.00 15.00 C ATOM 680 CD ARG B 213 -8.721 -8.046 7.238 1.00 15.00 C ATOM 681 NE ARG B 213 -9.824 -8.259 8.174 1.00 15.00 N ATOM 682 CZ ARG B 213 -9.928 -7.671 9.365 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.043 -6.756 9.742 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -10.937 -7.978 10.169 1.00 15.00 N ATOM 0 H ARG B 213 -8.766 -3.147 5.852 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.448 -5.726 6.084 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.947 -5.813 6.947 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.316 -5.816 5.234 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.084 -8.089 5.579 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.434 -7.692 5.140 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.184 -8.983 7.092 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.014 -7.336 7.667 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.565 -8.902 7.896 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.278 -6.499 9.118 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.128 -6.310 10.655 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.633 -8.664 9.875 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -11.017 -7.528 11.081 1.00 15.00 H new ATOM 698 N TYR B 214 -7.773 -6.020 3.487 1.00 15.00 N ATOM 699 CA TYR B 214 -7.364 -5.906 2.092 1.00 15.00 C ATOM 700 C TYR B 214 -8.549 -6.158 1.165 1.00 15.00 C ATOM 701 O TYR B 214 -9.082 -7.269 1.118 1.00 15.00 O ATOM 702 CB TYR B 214 -6.234 -6.907 1.783 1.00 15.00 C ATOM 703 CG TYR B 214 -5.176 -7.011 2.869 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.010 -6.004 3.810 1.00 15.00 C ATOM 705 CD2 TYR B 214 -4.363 -8.133 2.966 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.077 -6.107 4.811 1.00 15.00 C ATOM 707 CE2 TYR B 214 -3.416 -8.242 3.969 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.279 -7.226 4.890 1.00 15.00 C ATOM 709 OH TYR B 214 -2.348 -7.333 5.896 1.00 15.00 O ATOM 0 H TYR B 214 -7.747 -6.971 3.854 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.997 -4.894 1.924 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -6.671 -7.892 1.623 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -5.752 -6.616 0.849 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -5.628 -5.120 3.753 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.472 -8.932 2.248 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -3.969 -5.313 5.535 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -2.788 -9.118 4.030 1.00 15.00 H new ATOM 0 HH TYR B 214 -1.869 -8.183 5.809 1.00 15.00 H new ATOM 719 N PRO B 215 -8.984 -5.121 0.432 1.00 15.00 N ATOM 720 CA PRO B 215 -10.119 -5.217 -0.490 1.00 15.00 C ATOM 721 C PRO B 215 -9.828 -6.122 -1.685 1.00 15.00 C ATOM 722 O PRO B 215 -8.986 -5.810 -2.531 1.00 15.00 O ATOM 723 CB PRO B 215 -10.337 -3.771 -0.949 1.00 15.00 C ATOM 724 CG PRO B 215 -9.018 -3.108 -0.749 1.00 15.00 C ATOM 725 CD PRO B 215 -8.405 -3.768 0.454 1.00 15.00 C ATOM 0 HA PRO B 215 -10.992 -5.659 -0.009 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -10.647 -3.729 -1.993 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.118 -3.284 -0.365 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.383 -3.228 -1.627 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.139 -2.037 -0.588 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.317 -3.795 0.387 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.655 -3.239 1.374 1.00 15.00 H new ATOM 733 N MET B 216 -10.514 -7.253 -1.736 1.00 15.00 N ATOM 734 CA MET B 216 -10.343 -8.211 -2.824 1.00 15.00 C ATOM 735 C MET B 216 -11.543 -8.154 -3.769 1.00 15.00 C ATOM 736 O MET B 216 -11.603 -8.864 -4.775 1.00 15.00 O ATOM 737 CB MET B 216 -10.171 -9.623 -2.245 1.00 15.00 C ATOM 738 CG MET B 216 -9.872 -10.702 -3.278 1.00 15.00 C ATOM 739 SD MET B 216 -8.331 -10.412 -4.172 1.00 15.00 S ATOM 740 CE MET B 216 -8.297 -11.845 -5.247 1.00 15.00 C ATOM 0 H MET B 216 -11.199 -7.534 -1.034 1.00 15.00 H new ATOM 0 HA MET B 216 -9.450 -7.956 -3.394 1.00 15.00 H new ATOM 0 HB2 MET B 216 -9.363 -9.605 -1.514 1.00 15.00 H new ATOM 0 HB3 MET B 216 -11.080 -9.894 -1.709 1.00 15.00 H new ATOM 0 HG2 MET B 216 -9.820 -11.670 -2.780 1.00 15.00 H new ATOM 0 HG3 MET B 216 -10.695 -10.754 -3.991 1.00 15.00 H new ATOM 0 HE1 MET B 216 -7.401 -11.813 -5.867 1.00 15.00 H new ATOM 0 HE2 MET B 216 -8.289 -12.753 -4.643 1.00 15.00 H new ATOM 0 HE3 MET B 216 -9.180 -11.842 -5.885 1.00 15.00 H new ATOM 750 N ASP B 217 -12.496 -7.296 -3.441 1.00 15.00 N ATOM 751 CA ASP B 217 -13.716 -7.177 -4.227 1.00 15.00 C ATOM 752 C ASP B 217 -13.625 -5.978 -5.155 1.00 15.00 C ATOM 753 O ASP B 217 -13.181 -6.149 -6.307 1.00 15.00 O ATOM 754 CB ASP B 217 -14.940 -7.027 -3.320 1.00 15.00 C ATOM 755 CG ASP B 217 -15.007 -8.086 -2.241 1.00 15.00 C ATOM 756 OD1 ASP B 217 -15.223 -9.271 -2.568 1.00 15.00 O ATOM 757 OD2 ASP B 217 -14.835 -7.737 -1.057 1.00 15.00 O1- ATOM 758 OXT ASP B 217 -13.994 -4.866 -4.727 1.00 15.00 O ATOM 0 H ASP B 217 -12.449 -6.671 -2.636 1.00 15.00 H new ATOM 0 HA ASP B 217 -13.827 -8.087 -4.816 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -14.922 -6.042 -2.854 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -15.844 -7.076 -3.927 1.00 15.00 H new TER 763 ASP B 217