USER MOD reduce.3.24.130724 H: found=0, std=0, add=360, rem=0, adj=15 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 X(o=-3.1,f=-2.8) USER MOD Set 1.2: B 211 TYR OH : rot 180:sc= -3.14! USER MOD Set 2.1: A 250 ASN : amide:sc= 0.743 K(o=0.012,f=-12!) USER MOD Set 2.2: A 253 ASN : amide:sc= -0.731 K(o=0.012,f=-0.62) USER MOD Set 3.1: A 238 GLN : amide:sc= -2.19! C(o=-2.7!,f=-3.6!) USER MOD Set 3.2: A 248 TYR OH : rot -30:sc= -0.517 USER MOD Single : A 240 MET CE :methyl 139:sc= -0.141 (180deg=-0.796) USER MOD Single : A 241 THR OG1 : rot 180:sc= 0 USER MOD Single : A 242 GLN :FLIP amide:sc= -0.0325 F(o=-1.4!,f=-0.033) USER MOD Single : A 247 TYR OH : rot 130:sc= -0.948 USER MOD Single : A 252 LYS NZ :NH3+ -168:sc= -0.0237 (180deg=-0.221) USER MOD Single : A 254 LYS NZ :NH3+ 170:sc= 0.474 (180deg=0.333) USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 256 THR OG1 : rot 148:sc= 0.0432 USER MOD Single : A 257 SER OG : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 21:sc= 0.218 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 -156:sc= -0.247 (180deg=-0.963) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 230 9.331 -1.488 -5.836 1.00 15.00 N ATOM 2 CA GLY A 230 10.707 -2.016 -5.669 1.00 15.00 C ATOM 3 C GLY A 230 10.939 -2.529 -4.266 1.00 15.00 C ATOM 4 O GLY A 230 10.069 -3.195 -3.705 1.00 15.00 O ATOM 0 HA2 GLY A 230 10.878 -2.821 -6.384 1.00 15.00 H new ATOM 0 HA3 GLY A 230 11.429 -1.231 -5.894 1.00 15.00 H new ATOM 10 N PRO A 231 12.109 -2.256 -3.674 1.00 15.00 N ATOM 11 CA PRO A 231 12.390 -2.627 -2.296 1.00 15.00 C ATOM 12 C PRO A 231 11.868 -1.579 -1.314 1.00 15.00 C ATOM 13 O PRO A 231 12.392 -0.465 -1.236 1.00 15.00 O ATOM 14 CB PRO A 231 13.914 -2.708 -2.263 1.00 15.00 C ATOM 15 CG PRO A 231 14.379 -1.739 -3.306 1.00 15.00 C ATOM 16 CD PRO A 231 13.254 -1.574 -4.303 1.00 15.00 C ATOM 0 HA PRO A 231 11.905 -3.557 -1.999 1.00 15.00 H new ATOM 0 HB2 PRO A 231 14.302 -2.444 -1.279 1.00 15.00 H new ATOM 0 HB3 PRO A 231 14.260 -3.718 -2.481 1.00 15.00 H new ATOM 0 HG2 PRO A 231 14.634 -0.781 -2.853 1.00 15.00 H new ATOM 0 HG3 PRO A 231 15.278 -2.108 -3.799 1.00 15.00 H new ATOM 0 HD2 PRO A 231 13.038 -0.522 -4.489 1.00 15.00 H new ATOM 0 HD3 PRO A 231 13.505 -2.022 -5.264 1.00 15.00 H new ATOM 24 N LEU A 232 10.817 -1.925 -0.589 1.00 15.00 N ATOM 25 CA LEU A 232 10.171 -0.980 0.307 1.00 15.00 C ATOM 26 C LEU A 232 10.829 -0.943 1.676 1.00 15.00 C ATOM 27 O LEU A 232 11.550 -1.869 2.046 1.00 15.00 O ATOM 28 CB LEU A 232 8.659 -1.201 0.471 1.00 15.00 C ATOM 29 CG LEU A 232 7.815 -0.777 -0.719 1.00 15.00 C ATOM 30 CD1 LEU A 232 8.171 0.628 -1.167 1.00 15.00 C ATOM 31 CD2 LEU A 232 7.948 -1.759 -1.870 1.00 15.00 C ATOM 0 H LEU A 232 10.393 -2.853 -0.603 1.00 15.00 H new ATOM 0 HA LEU A 232 10.304 -0.016 -0.183 1.00 15.00 H new ATOM 0 HB2 LEU A 232 8.481 -2.259 0.665 1.00 15.00 H new ATOM 0 HB3 LEU A 232 8.320 -0.654 1.351 1.00 15.00 H new ATOM 0 HG LEU A 232 6.773 -0.778 -0.399 1.00 15.00 H new ATOM 0 HD11 LEU A 232 7.552 0.906 -2.020 1.00 15.00 H new ATOM 0 HD12 LEU A 232 7.996 1.326 -0.349 1.00 15.00 H new ATOM 0 HD13 LEU A 232 9.222 0.663 -1.455 1.00 15.00 H new ATOM 0 HD21 LEU A 232 7.332 -1.426 -2.705 1.00 15.00 H new ATOM 0 HD22 LEU A 232 8.990 -1.810 -2.186 1.00 15.00 H new ATOM 0 HD23 LEU A 232 7.618 -2.746 -1.546 1.00 15.00 H new ATOM 43 N PRO A 233 10.590 0.143 2.449 1.00 15.00 N ATOM 44 CA PRO A 233 11.138 0.309 3.811 1.00 15.00 C ATOM 45 C PRO A 233 10.705 -0.817 4.757 1.00 15.00 C ATOM 46 O PRO A 233 11.141 -0.875 5.906 1.00 15.00 O ATOM 47 CB PRO A 233 10.513 1.639 4.255 1.00 15.00 C ATOM 48 CG PRO A 233 10.316 2.370 2.982 1.00 15.00 C ATOM 49 CD PRO A 233 9.769 1.325 2.075 1.00 15.00 C ATOM 0 HA PRO A 233 12.228 0.289 3.827 1.00 15.00 H new ATOM 0 HB2 PRO A 233 9.570 1.484 4.779 1.00 15.00 H new ATOM 0 HB3 PRO A 233 11.169 2.184 4.934 1.00 15.00 H new ATOM 0 HG2 PRO A 233 9.625 3.205 3.099 1.00 15.00 H new ATOM 0 HG3 PRO A 233 11.252 2.782 2.605 1.00 15.00 H new ATOM 0 HD2 PRO A 233 8.705 1.154 2.242 1.00 15.00 H new ATOM 0 HD3 PRO A 233 9.889 1.591 1.025 1.00 15.00 H new ATOM 57 N ASP A 234 9.767 -1.638 4.272 1.00 15.00 N ATOM 58 CA ASP A 234 9.278 -2.837 4.970 1.00 15.00 C ATOM 59 C ASP A 234 8.191 -2.483 5.958 1.00 15.00 C ATOM 60 O ASP A 234 7.737 -3.323 6.735 1.00 15.00 O ATOM 61 CB ASP A 234 10.402 -3.609 5.677 1.00 15.00 C ATOM 62 CG ASP A 234 11.351 -4.286 4.712 1.00 15.00 C ATOM 63 OD1 ASP A 234 10.907 -5.178 3.956 1.00 15.00 O ATOM 64 OD2 ASP A 234 12.554 -3.954 4.721 1.00 15.00 O1- ATOM 0 H ASP A 234 9.318 -1.487 3.369 1.00 15.00 H new ATOM 0 HA ASP A 234 8.865 -3.492 4.203 1.00 15.00 H new ATOM 0 HB2 ASP A 234 10.964 -2.923 6.310 1.00 15.00 H new ATOM 0 HB3 ASP A 234 9.962 -4.360 6.333 1.00 15.00 H new ATOM 69 N GLY A 235 7.738 -1.245 5.887 1.00 15.00 N ATOM 70 CA GLY A 235 6.579 -0.846 6.643 1.00 15.00 C ATOM 71 C GLY A 235 5.315 -1.141 5.869 1.00 15.00 C ATOM 72 O GLY A 235 4.304 -1.536 6.439 1.00 15.00 O ATOM 0 H GLY A 235 8.155 -0.509 5.317 1.00 15.00 H new ATOM 0 HA2 GLY A 235 6.560 -1.374 7.597 1.00 15.00 H new ATOM 0 HA3 GLY A 235 6.634 0.219 6.869 1.00 15.00 H new ATOM 76 N TRP A 236 5.397 -0.987 4.555 1.00 15.00 N ATOM 77 CA TRP A 236 4.247 -1.172 3.687 1.00 15.00 C ATOM 78 C TRP A 236 4.485 -2.138 2.541 1.00 15.00 C ATOM 79 O TRP A 236 5.591 -2.259 2.016 1.00 15.00 O ATOM 80 CB TRP A 236 3.699 0.162 3.174 1.00 15.00 C ATOM 81 CG TRP A 236 4.678 1.292 3.018 1.00 15.00 C ATOM 82 CD1 TRP A 236 6.022 1.245 2.758 1.00 15.00 C ATOM 83 CD2 TRP A 236 4.344 2.677 3.138 1.00 15.00 C ATOM 84 NE1 TRP A 236 6.534 2.522 2.732 1.00 15.00 N ATOM 85 CE2 TRP A 236 5.521 3.416 2.958 1.00 15.00 C ATOM 86 CE3 TRP A 236 3.151 3.362 3.385 1.00 15.00 C ATOM 87 CZ2 TRP A 236 5.541 4.810 3.023 1.00 15.00 C ATOM 88 CZ3 TRP A 236 3.170 4.741 3.446 1.00 15.00 C ATOM 89 CH2 TRP A 236 4.360 5.452 3.268 1.00 15.00 C ATOM 0 H TRP A 236 6.255 -0.733 4.066 1.00 15.00 H new ATOM 0 HA TRP A 236 3.490 -1.637 4.319 1.00 15.00 H new ATOM 0 HB2 TRP A 236 3.230 -0.015 2.206 1.00 15.00 H new ATOM 0 HB3 TRP A 236 2.912 0.488 3.854 1.00 15.00 H new ATOM 0 HD1 TRP A 236 6.593 0.343 2.598 1.00 15.00 H new ATOM 0 HE1 TRP A 236 7.512 2.764 2.570 1.00 15.00 H new ATOM 0 HE3 TRP A 236 2.227 2.820 3.526 1.00 15.00 H new ATOM 0 HZ2 TRP A 236 6.459 5.362 2.884 1.00 15.00 H new ATOM 0 HZ3 TRP A 236 2.252 5.278 3.634 1.00 15.00 H new ATOM 0 HH2 TRP A 236 4.346 6.530 3.325 1.00 15.00 H new ATOM 100 N GLU A 237 3.395 -2.794 2.158 1.00 15.00 N ATOM 101 CA GLU A 237 3.389 -3.818 1.129 1.00 15.00 C ATOM 102 C GLU A 237 2.407 -3.385 0.032 1.00 15.00 C ATOM 103 O GLU A 237 1.308 -2.919 0.342 1.00 15.00 O ATOM 104 CB GLU A 237 2.931 -5.135 1.771 1.00 15.00 C ATOM 105 CG GLU A 237 3.506 -6.395 1.146 1.00 15.00 C ATOM 106 CD GLU A 237 3.261 -6.501 -0.345 1.00 15.00 C ATOM 107 OE1 GLU A 237 2.183 -6.984 -0.743 1.00 15.00 O1- ATOM 108 OE2 GLU A 237 4.156 -6.107 -1.126 1.00 15.00 O ATOM 0 H GLU A 237 2.475 -2.623 2.564 1.00 15.00 H new ATOM 0 HA GLU A 237 4.378 -3.955 0.692 1.00 15.00 H new ATOM 0 HB2 GLU A 237 3.199 -5.118 2.827 1.00 15.00 H new ATOM 0 HB3 GLU A 237 1.843 -5.187 1.719 1.00 15.00 H new ATOM 0 HG2 GLU A 237 4.580 -6.425 1.332 1.00 15.00 H new ATOM 0 HG3 GLU A 237 3.073 -7.265 1.639 1.00 15.00 H new ATOM 115 N GLN A 238 2.789 -3.536 -1.232 1.00 15.00 N ATOM 116 CA GLN A 238 1.959 -3.058 -2.338 1.00 15.00 C ATOM 117 C GLN A 238 1.006 -4.149 -2.830 1.00 15.00 C ATOM 118 O GLN A 238 1.409 -5.046 -3.570 1.00 15.00 O ATOM 119 CB GLN A 238 2.827 -2.573 -3.506 1.00 15.00 C ATOM 120 CG GLN A 238 2.030 -2.040 -4.682 1.00 15.00 C ATOM 121 CD GLN A 238 2.776 -2.205 -5.988 1.00 15.00 C ATOM 122 OE1 GLN A 238 3.544 -1.333 -6.398 1.00 15.00 O ATOM 123 NE2 GLN A 238 2.563 -3.333 -6.645 1.00 15.00 N ATOM 0 H GLN A 238 3.661 -3.982 -1.517 1.00 15.00 H new ATOM 0 HA GLN A 238 1.370 -2.222 -1.960 1.00 15.00 H new ATOM 0 HB2 GLN A 238 3.496 -1.791 -3.148 1.00 15.00 H new ATOM 0 HB3 GLN A 238 3.453 -3.397 -3.847 1.00 15.00 H new ATOM 0 HG2 GLN A 238 1.075 -2.562 -4.740 1.00 15.00 H new ATOM 0 HG3 GLN A 238 1.807 -0.985 -4.522 1.00 15.00 H new ATOM 0 HE21 GLN A 238 1.918 -4.028 -6.269 1.00 15.00 H new ATOM 0 HE22 GLN A 238 3.043 -3.508 -7.528 1.00 15.00 H new ATOM 132 N ALA A 239 -0.250 -4.081 -2.405 1.00 15.00 N ATOM 133 CA ALA A 239 -1.261 -5.016 -2.870 1.00 15.00 C ATOM 134 C ALA A 239 -2.027 -4.405 -4.038 1.00 15.00 C ATOM 135 O ALA A 239 -2.161 -3.187 -4.125 1.00 15.00 O ATOM 136 CB ALA A 239 -2.202 -5.392 -1.734 1.00 15.00 C ATOM 0 H ALA A 239 -0.590 -3.387 -1.739 1.00 15.00 H new ATOM 0 HA ALA A 239 -0.774 -5.929 -3.214 1.00 15.00 H new ATOM 0 HB1 ALA A 239 -2.953 -6.093 -2.100 1.00 15.00 H new ATOM 0 HB2 ALA A 239 -1.633 -5.857 -0.929 1.00 15.00 H new ATOM 0 HB3 ALA A 239 -2.695 -4.496 -1.358 1.00 15.00 H new ATOM 142 N MET A 240 -2.512 -5.241 -4.939 1.00 15.00 N ATOM 143 CA MET A 240 -3.193 -4.757 -6.134 1.00 15.00 C ATOM 144 C MET A 240 -4.689 -5.020 -6.040 1.00 15.00 C ATOM 145 O MET A 240 -5.110 -6.165 -5.896 1.00 15.00 O ATOM 146 CB MET A 240 -2.625 -5.445 -7.380 1.00 15.00 C ATOM 147 CG MET A 240 -1.113 -5.340 -7.501 1.00 15.00 C ATOM 148 SD MET A 240 -0.479 -6.051 -9.034 1.00 15.00 S ATOM 149 CE MET A 240 -1.260 -4.989 -10.247 1.00 15.00 C ATOM 0 H MET A 240 -2.449 -6.257 -4.869 1.00 15.00 H new ATOM 0 HA MET A 240 -3.029 -3.682 -6.211 1.00 15.00 H new ATOM 0 HB2 MET A 240 -2.907 -6.498 -7.363 1.00 15.00 H new ATOM 0 HB3 MET A 240 -3.083 -5.007 -8.267 1.00 15.00 H new ATOM 0 HG2 MET A 240 -0.821 -4.291 -7.445 1.00 15.00 H new ATOM 0 HG3 MET A 240 -0.650 -5.845 -6.653 1.00 15.00 H new ATOM 0 HE1 MET A 240 -0.548 -4.755 -11.038 1.00 15.00 H new ATOM 0 HE2 MET A 240 -2.123 -5.499 -10.675 1.00 15.00 H new ATOM 0 HE3 MET A 240 -1.585 -4.066 -9.767 1.00 15.00 H new ATOM 159 N THR A 241 -5.493 -3.967 -6.113 1.00 15.00 N ATOM 160 CA THR A 241 -6.935 -4.131 -6.067 1.00 15.00 C ATOM 161 C THR A 241 -7.493 -4.286 -7.481 1.00 15.00 C ATOM 162 O THR A 241 -7.001 -3.663 -8.433 1.00 15.00 O ATOM 163 CB THR A 241 -7.647 -2.965 -5.331 1.00 15.00 C ATOM 164 OG1 THR A 241 -9.033 -3.283 -5.137 1.00 15.00 O ATOM 165 CG2 THR A 241 -7.541 -1.656 -6.100 1.00 15.00 C ATOM 0 H THR A 241 -5.174 -3.002 -6.203 1.00 15.00 H new ATOM 0 HA THR A 241 -7.136 -5.036 -5.494 1.00 15.00 H new ATOM 0 HB THR A 241 -7.149 -2.837 -4.370 1.00 15.00 H new ATOM 0 HG1 THR A 241 -9.476 -2.544 -4.670 1.00 15.00 H new ATOM 0 HG21 THR A 241 -8.053 -0.868 -5.548 1.00 15.00 H new ATOM 0 HG22 THR A 241 -6.491 -1.390 -6.223 1.00 15.00 H new ATOM 0 HG23 THR A 241 -8.003 -1.772 -7.081 1.00 15.00 H new ATOM 173 N GLN A 242 -8.524 -5.117 -7.599 1.00 15.00 N ATOM 174 CA GLN A 242 -9.125 -5.462 -8.886 1.00 15.00 C ATOM 175 C GLN A 242 -9.673 -4.227 -9.597 1.00 15.00 C ATOM 176 O GLN A 242 -9.847 -4.214 -10.817 1.00 15.00 O ATOM 177 CB GLN A 242 -10.250 -6.464 -8.662 1.00 15.00 C ATOM 178 CG GLN A 242 -10.935 -6.911 -9.934 1.00 15.00 C ATOM 179 CD GLN A 242 -10.049 -7.787 -10.804 1.00 15.00 C ATOM 180 OE1 GLN A 242 -9.146 -8.528 -10.183 1.00 15.00 O flip ATOM 181 NE2 GLN A 242 -10.177 -7.799 -12.027 1.00 15.00 N flip ATOM 0 H GLN A 242 -8.969 -5.573 -6.802 1.00 15.00 H new ATOM 0 HA GLN A 242 -8.352 -5.898 -9.519 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -9.848 -7.339 -8.151 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -10.992 -6.020 -7.998 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -11.842 -7.459 -9.679 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -11.242 -6.034 -10.503 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -10.885 -7.214 -12.471 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -9.576 -8.394 -12.597 1.00 15.00 H new ATOM 190 N ASP A 243 -9.964 -3.209 -8.809 1.00 15.00 N ATOM 191 CA ASP A 243 -10.447 -1.924 -9.317 1.00 15.00 C ATOM 192 C ASP A 243 -9.433 -1.278 -10.274 1.00 15.00 C ATOM 193 O ASP A 243 -9.755 -0.327 -10.986 1.00 15.00 O ATOM 194 CB ASP A 243 -10.736 -0.984 -8.143 1.00 15.00 C ATOM 195 CG ASP A 243 -11.581 0.214 -8.533 1.00 15.00 C ATOM 196 OD1 ASP A 243 -12.823 0.112 -8.469 1.00 15.00 O ATOM 197 OD2 ASP A 243 -11.012 1.267 -8.883 1.00 15.00 O1- ATOM 0 H ASP A 243 -9.874 -3.243 -7.794 1.00 15.00 H new ATOM 0 HA ASP A 243 -11.364 -2.103 -9.879 1.00 15.00 H new ATOM 0 HB2 ASP A 243 -11.246 -1.541 -7.357 1.00 15.00 H new ATOM 0 HB3 ASP A 243 -9.792 -0.634 -7.725 1.00 15.00 H new ATOM 202 N GLY A 244 -8.211 -1.802 -10.287 1.00 15.00 N ATOM 203 CA GLY A 244 -7.199 -1.317 -11.211 1.00 15.00 C ATOM 204 C GLY A 244 -6.223 -0.339 -10.581 1.00 15.00 C ATOM 205 O GLY A 244 -5.726 0.567 -11.255 1.00 15.00 O ATOM 0 H GLY A 244 -7.902 -2.556 -9.673 1.00 15.00 H new ATOM 0 HA2 GLY A 244 -6.644 -2.167 -11.608 1.00 15.00 H new ATOM 0 HA3 GLY A 244 -7.691 -0.834 -12.056 1.00 15.00 H new ATOM 209 N GLU A 245 -5.935 -0.521 -9.296 1.00 15.00 N ATOM 210 CA GLU A 245 -5.011 0.357 -8.585 1.00 15.00 C ATOM 211 C GLU A 245 -4.220 -0.433 -7.552 1.00 15.00 C ATOM 212 O GLU A 245 -4.709 -1.419 -7.002 1.00 15.00 O ATOM 213 CB GLU A 245 -5.752 1.503 -7.885 1.00 15.00 C ATOM 214 CG GLU A 245 -6.411 2.498 -8.829 1.00 15.00 C ATOM 215 CD GLU A 245 -7.082 3.640 -8.102 1.00 15.00 C ATOM 216 OE1 GLU A 245 -8.152 3.423 -7.498 1.00 15.00 O1- ATOM 217 OE2 GLU A 245 -6.535 4.764 -8.130 1.00 15.00 O ATOM 0 H GLU A 245 -6.328 -1.269 -8.725 1.00 15.00 H new ATOM 0 HA GLU A 245 -4.331 0.782 -9.323 1.00 15.00 H new ATOM 0 HB2 GLU A 245 -6.516 1.080 -7.232 1.00 15.00 H new ATOM 0 HB3 GLU A 245 -5.048 2.038 -7.247 1.00 15.00 H new ATOM 0 HG2 GLU A 245 -5.660 2.898 -9.510 1.00 15.00 H new ATOM 0 HG3 GLU A 245 -7.149 1.978 -9.439 1.00 15.00 H new ATOM 224 N ILE A 246 -3.005 0.005 -7.284 1.00 15.00 N ATOM 225 CA ILE A 246 -2.180 -0.626 -6.267 1.00 15.00 C ATOM 226 C ILE A 246 -2.148 0.236 -5.011 1.00 15.00 C ATOM 227 O ILE A 246 -2.197 1.463 -5.092 1.00 15.00 O ATOM 228 CB ILE A 246 -0.750 -0.890 -6.783 1.00 15.00 C ATOM 229 CG1 ILE A 246 -0.085 0.408 -7.253 1.00 15.00 C ATOM 230 CG2 ILE A 246 -0.784 -1.913 -7.909 1.00 15.00 C ATOM 231 CD1 ILE A 246 1.202 0.188 -8.017 1.00 15.00 C ATOM 0 H ILE A 246 -2.565 0.795 -7.755 1.00 15.00 H new ATOM 0 HA ILE A 246 -2.623 -1.591 -6.023 1.00 15.00 H new ATOM 0 HB ILE A 246 -0.156 -1.289 -5.961 1.00 15.00 H new ATOM 0 HG12 ILE A 246 -0.784 0.956 -7.885 1.00 15.00 H new ATOM 0 HG13 ILE A 246 0.120 1.036 -6.386 1.00 15.00 H new ATOM 0 HG21 ILE A 246 0.229 -2.093 -8.267 1.00 15.00 H new ATOM 0 HG22 ILE A 246 -1.210 -2.846 -7.540 1.00 15.00 H new ATOM 0 HG23 ILE A 246 -1.396 -1.533 -8.727 1.00 15.00 H new ATOM 0 HD11 ILE A 246 1.616 1.151 -8.318 1.00 15.00 H new ATOM 0 HD12 ILE A 246 1.918 -0.332 -7.381 1.00 15.00 H new ATOM 0 HD13 ILE A 246 1.001 -0.413 -8.904 1.00 15.00 H new ATOM 243 N TYR A 247 -2.099 -0.406 -3.852 1.00 15.00 N ATOM 244 CA TYR A 247 -2.155 0.311 -2.589 1.00 15.00 C ATOM 245 C TYR A 247 -1.176 -0.294 -1.566 1.00 15.00 C ATOM 246 O TYR A 247 -1.094 -1.517 -1.427 1.00 15.00 O ATOM 247 CB TYR A 247 -3.592 0.299 -2.037 1.00 15.00 C ATOM 248 CG TYR A 247 -4.151 -1.074 -1.703 1.00 15.00 C ATOM 249 CD1 TYR A 247 -4.652 -1.903 -2.700 1.00 15.00 C ATOM 250 CD2 TYR A 247 -4.197 -1.532 -0.387 1.00 15.00 C ATOM 251 CE1 TYR A 247 -5.174 -3.146 -2.401 1.00 15.00 C ATOM 252 CE2 TYR A 247 -4.721 -2.776 -0.081 1.00 15.00 C ATOM 253 CZ TYR A 247 -5.207 -3.577 -1.091 1.00 15.00 C ATOM 254 OH TYR A 247 -5.727 -4.818 -0.795 1.00 15.00 O ATOM 0 H TYR A 247 -2.021 -1.419 -3.762 1.00 15.00 H new ATOM 0 HA TYR A 247 -1.856 1.344 -2.767 1.00 15.00 H new ATOM 0 HB2 TYR A 247 -3.623 0.914 -1.137 1.00 15.00 H new ATOM 0 HB3 TYR A 247 -4.248 0.771 -2.768 1.00 15.00 H new ATOM 0 HD1 TYR A 247 -4.633 -1.569 -3.727 1.00 15.00 H new ATOM 0 HD2 TYR A 247 -3.817 -0.906 0.407 1.00 15.00 H new ATOM 0 HE1 TYR A 247 -5.555 -3.778 -3.190 1.00 15.00 H new ATOM 0 HE2 TYR A 247 -4.749 -3.117 0.943 1.00 15.00 H new ATOM 0 HH TYR A 247 -5.097 -5.310 -0.228 1.00 15.00 H new ATOM 264 N TYR A 248 -0.442 0.558 -0.847 1.00 15.00 N ATOM 265 CA TYR A 248 0.492 0.107 0.170 1.00 15.00 C ATOM 266 C TYR A 248 -0.159 0.088 1.540 1.00 15.00 C ATOM 267 O TYR A 248 -0.696 1.099 1.992 1.00 15.00 O ATOM 268 CB TYR A 248 1.720 1.018 0.218 1.00 15.00 C ATOM 269 CG TYR A 248 2.752 0.699 -0.829 1.00 15.00 C ATOM 270 CD1 TYR A 248 2.689 1.257 -2.100 1.00 15.00 C ATOM 271 CD2 TYR A 248 3.787 -0.174 -0.545 1.00 15.00 C ATOM 272 CE1 TYR A 248 3.634 0.949 -3.057 1.00 15.00 C ATOM 273 CE2 TYR A 248 4.729 -0.483 -1.495 1.00 15.00 C ATOM 274 CZ TYR A 248 4.650 0.076 -2.748 1.00 15.00 C ATOM 275 OH TYR A 248 5.595 -0.237 -3.697 1.00 15.00 O ATOM 0 H TYR A 248 -0.482 1.571 -0.957 1.00 15.00 H new ATOM 0 HA TYR A 248 0.797 -0.905 -0.096 1.00 15.00 H new ATOM 0 HB2 TYR A 248 1.399 2.052 0.095 1.00 15.00 H new ATOM 0 HB3 TYR A 248 2.180 0.942 1.203 1.00 15.00 H new ATOM 0 HD1 TYR A 248 1.889 1.941 -2.342 1.00 15.00 H new ATOM 0 HD2 TYR A 248 3.855 -0.618 0.437 1.00 15.00 H new ATOM 0 HE1 TYR A 248 3.576 1.390 -4.041 1.00 15.00 H new ATOM 0 HE2 TYR A 248 5.532 -1.165 -1.258 1.00 15.00 H new ATOM 0 HH TYR A 248 5.193 -0.185 -4.589 1.00 15.00 H new ATOM 285 N ILE A 249 -0.104 -1.060 2.191 1.00 15.00 N ATOM 286 CA ILE A 249 -0.562 -1.186 3.562 1.00 15.00 C ATOM 287 C ILE A 249 0.613 -1.006 4.525 1.00 15.00 C ATOM 288 O ILE A 249 1.482 -1.875 4.627 1.00 15.00 O ATOM 289 CB ILE A 249 -1.245 -2.554 3.799 1.00 15.00 C ATOM 290 CG1 ILE A 249 -0.379 -3.693 3.240 1.00 15.00 C ATOM 291 CG2 ILE A 249 -2.628 -2.567 3.160 1.00 15.00 C ATOM 292 CD1 ILE A 249 -0.964 -5.076 3.435 1.00 15.00 C ATOM 0 H ILE A 249 0.257 -1.925 1.788 1.00 15.00 H new ATOM 0 HA ILE A 249 -1.300 -0.405 3.748 1.00 15.00 H new ATOM 0 HB ILE A 249 -1.357 -2.708 4.872 1.00 15.00 H new ATOM 0 HG12 ILE A 249 -0.222 -3.525 2.175 1.00 15.00 H new ATOM 0 HG13 ILE A 249 0.601 -3.656 3.716 1.00 15.00 H new ATOM 0 HG21 ILE A 249 -3.100 -3.534 3.333 1.00 15.00 H new ATOM 0 HG22 ILE A 249 -3.240 -1.781 3.602 1.00 15.00 H new ATOM 0 HG23 ILE A 249 -2.535 -2.395 2.088 1.00 15.00 H new ATOM 0 HD11 ILE A 249 -0.289 -5.820 3.011 1.00 15.00 H new ATOM 0 HD12 ILE A 249 -1.095 -5.269 4.500 1.00 15.00 H new ATOM 0 HD13 ILE A 249 -1.930 -5.136 2.934 1.00 15.00 H new ATOM 304 N ASN A 250 0.649 0.128 5.218 1.00 15.00 N ATOM 305 CA ASN A 250 1.764 0.436 6.112 1.00 15.00 C ATOM 306 C ASN A 250 1.461 -0.109 7.519 1.00 15.00 C ATOM 307 O ASN A 250 0.546 0.389 8.179 1.00 15.00 O ATOM 308 CB ASN A 250 1.993 1.953 6.191 1.00 15.00 C ATOM 309 CG ASN A 250 3.226 2.346 6.996 1.00 15.00 C ATOM 310 OD1 ASN A 250 3.657 1.640 7.910 1.00 15.00 O ATOM 311 ND2 ASN A 250 3.795 3.495 6.668 1.00 15.00 N ATOM 0 H ASN A 250 -0.075 0.846 5.180 1.00 15.00 H new ATOM 0 HA ASN A 250 2.665 -0.034 5.718 1.00 15.00 H new ATOM 0 HB2 ASN A 250 2.088 2.350 5.180 1.00 15.00 H new ATOM 0 HB3 ASN A 250 1.115 2.421 6.636 1.00 15.00 H new ATOM 0 HD21 ASN A 250 4.616 3.821 7.177 1.00 15.00 H new ATOM 0 HD22 ASN A 250 3.412 4.054 5.906 1.00 15.00 H new ATOM 318 N HIS A 251 2.228 -1.113 7.986 1.00 15.00 N ATOM 319 CA HIS A 251 1.932 -1.803 9.232 1.00 15.00 C ATOM 320 C HIS A 251 2.468 -1.036 10.434 1.00 15.00 C ATOM 321 O HIS A 251 2.102 -1.317 11.577 1.00 15.00 O ATOM 322 CB HIS A 251 2.539 -3.210 9.204 1.00 15.00 C ATOM 323 CG HIS A 251 2.037 -4.072 8.079 1.00 15.00 C ATOM 324 ND1 HIS A 251 2.717 -4.248 6.888 1.00 15.00 N ATOM 325 CD2 HIS A 251 0.911 -4.815 7.974 1.00 15.00 C ATOM 326 CE1 HIS A 251 2.028 -5.059 6.108 1.00 15.00 C ATOM 327 NE2 HIS A 251 0.928 -5.422 6.742 1.00 15.00 N ATOM 0 H HIS A 251 3.060 -1.457 7.507 1.00 15.00 H new ATOM 0 HA HIS A 251 0.849 -1.871 9.330 1.00 15.00 H new ATOM 0 HB2 HIS A 251 3.623 -3.125 9.127 1.00 15.00 H new ATOM 0 HB3 HIS A 251 2.325 -3.706 10.151 1.00 15.00 H new ATOM 0 HD2 HIS A 251 0.139 -4.913 8.723 1.00 15.00 H new ATOM 0 HE1 HIS A 251 2.316 -5.374 5.116 1.00 15.00 H new ATOM 0 HE2 HIS A 251 0.211 -6.049 6.378 1.00 15.00 H new ATOM 336 N LYS A 252 3.353 -0.083 10.178 1.00 15.00 N ATOM 337 CA LYS A 252 3.928 0.718 11.248 1.00 15.00 C ATOM 338 C LYS A 252 3.055 1.927 11.536 1.00 15.00 C ATOM 339 O LYS A 252 2.698 2.194 12.683 1.00 15.00 O ATOM 340 CB LYS A 252 5.338 1.190 10.892 1.00 15.00 C ATOM 341 CG LYS A 252 6.349 0.071 10.724 1.00 15.00 C ATOM 342 CD LYS A 252 7.739 0.630 10.476 1.00 15.00 C ATOM 343 CE LYS A 252 8.776 -0.469 10.306 1.00 15.00 C ATOM 344 NZ LYS A 252 8.864 -1.354 11.499 1.00 15.00 N1+ ATOM 0 H LYS A 252 3.687 0.153 9.244 1.00 15.00 H new ATOM 0 HA LYS A 252 3.982 0.087 12.135 1.00 15.00 H new ATOM 0 HB2 LYS A 252 5.293 1.765 9.967 1.00 15.00 H new ATOM 0 HB3 LYS A 252 5.689 1.867 11.671 1.00 15.00 H new ATOM 0 HG2 LYS A 252 6.358 -0.554 11.617 1.00 15.00 H new ATOM 0 HG3 LYS A 252 6.055 -0.568 9.891 1.00 15.00 H new ATOM 0 HD2 LYS A 252 7.724 1.255 9.583 1.00 15.00 H new ATOM 0 HD3 LYS A 252 8.025 1.272 11.309 1.00 15.00 H new ATOM 0 HE2 LYS A 252 8.527 -1.068 9.430 1.00 15.00 H new ATOM 0 HE3 LYS A 252 9.751 -0.019 10.118 1.00 15.00 H new ATOM 0 HZ1 LYS A 252 9.711 -1.953 11.425 1.00 15.00 H new ATOM 0 HZ2 LYS A 252 8.925 -0.772 12.359 1.00 15.00 H new ATOM 0 HZ3 LYS A 252 8.017 -1.956 11.548 1.00 15.00 H new ATOM 358 N ASN A 253 2.715 2.658 10.485 1.00 15.00 N ATOM 359 CA ASN A 253 1.975 3.905 10.631 1.00 15.00 C ATOM 360 C ASN A 253 0.475 3.675 10.492 1.00 15.00 C ATOM 361 O ASN A 253 -0.317 4.589 10.729 1.00 15.00 O ATOM 362 CB ASN A 253 2.442 4.936 9.595 1.00 15.00 C ATOM 363 CG ASN A 253 3.925 5.270 9.703 1.00 15.00 C ATOM 364 OD1 ASN A 253 4.577 5.571 8.700 1.00 15.00 O ATOM 365 ND2 ASN A 253 4.468 5.229 10.912 1.00 15.00 N ATOM 0 H ASN A 253 2.939 2.410 9.521 1.00 15.00 H new ATOM 0 HA ASN A 253 2.174 4.291 11.631 1.00 15.00 H new ATOM 0 HB2 ASN A 253 2.234 4.556 8.595 1.00 15.00 H new ATOM 0 HB3 ASN A 253 1.861 5.850 9.715 1.00 15.00 H new ATOM 0 HD21 ASN A 253 5.456 5.451 11.035 1.00 15.00 H new ATOM 0 HD22 ASN A 253 3.898 4.976 11.719 1.00 15.00 H new ATOM 372 N LYS A 254 0.091 2.453 10.102 1.00 15.00 N ATOM 373 CA LYS A 254 -1.318 2.105 9.907 1.00 15.00 C ATOM 374 C LYS A 254 -1.915 3.005 8.817 1.00 15.00 C ATOM 375 O LYS A 254 -3.060 3.461 8.904 1.00 15.00 O ATOM 376 CB LYS A 254 -2.075 2.249 11.240 1.00 15.00 C ATOM 377 CG LYS A 254 -3.514 1.760 11.209 1.00 15.00 C ATOM 378 CD LYS A 254 -4.305 2.294 12.390 1.00 15.00 C ATOM 379 CE LYS A 254 -4.333 3.816 12.395 1.00 15.00 C ATOM 380 NZ LYS A 254 -4.894 4.367 11.130 1.00 15.00 N1+ ATOM 0 H LYS A 254 0.740 1.688 9.915 1.00 15.00 H new ATOM 0 HA LYS A 254 -1.410 1.069 9.581 1.00 15.00 H new ATOM 0 HB2 LYS A 254 -1.535 1.698 12.010 1.00 15.00 H new ATOM 0 HB3 LYS A 254 -2.068 3.298 11.534 1.00 15.00 H new ATOM 0 HG2 LYS A 254 -3.987 2.076 10.279 1.00 15.00 H new ATOM 0 HG3 LYS A 254 -3.530 0.670 11.221 1.00 15.00 H new ATOM 0 HD2 LYS A 254 -5.324 1.910 12.351 1.00 15.00 H new ATOM 0 HD3 LYS A 254 -3.863 1.933 13.319 1.00 15.00 H new ATOM 0 HE2 LYS A 254 -4.929 4.165 13.238 1.00 15.00 H new ATOM 0 HE3 LYS A 254 -3.322 4.197 12.540 1.00 15.00 H new ATOM 0 HZ1 LYS A 254 -5.053 5.389 11.237 1.00 15.00 H new ATOM 0 HZ2 LYS A 254 -4.224 4.201 10.352 1.00 15.00 H new ATOM 0 HZ3 LYS A 254 -5.797 3.896 10.917 1.00 15.00 H new ATOM 394 N THR A 255 -1.134 3.218 7.764 1.00 15.00 N ATOM 395 CA THR A 255 -1.495 4.172 6.721 1.00 15.00 C ATOM 396 C THR A 255 -1.458 3.528 5.332 1.00 15.00 C ATOM 397 O THR A 255 -0.711 2.579 5.103 1.00 15.00 O ATOM 398 CB THR A 255 -0.566 5.405 6.730 1.00 15.00 C ATOM 399 OG1 THR A 255 0.808 4.997 6.753 1.00 15.00 O ATOM 400 CG2 THR A 255 -0.852 6.303 7.922 1.00 15.00 C ATOM 0 H THR A 255 -0.245 2.742 7.610 1.00 15.00 H new ATOM 0 HA THR A 255 -2.514 4.494 6.938 1.00 15.00 H new ATOM 0 HB THR A 255 -0.759 5.970 5.818 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.385 5.789 6.757 1.00 15.00 H new ATOM 0 HG21 THR A 255 -0.181 7.162 7.900 1.00 15.00 H new ATOM 0 HG22 THR A 255 -1.885 6.648 7.878 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.695 5.744 8.845 1.00 15.00 H new ATOM 408 N THR A 256 -2.289 4.016 4.418 1.00 15.00 N ATOM 409 CA THR A 256 -2.281 3.529 3.053 1.00 15.00 C ATOM 410 C THR A 256 -1.767 4.602 2.092 1.00 15.00 C ATOM 411 O THR A 256 -2.045 5.789 2.264 1.00 15.00 O ATOM 412 CB THR A 256 -3.688 3.071 2.635 1.00 15.00 C ATOM 413 OG1 THR A 256 -4.678 3.894 3.270 1.00 15.00 O ATOM 414 CG2 THR A 256 -3.905 1.612 3.007 1.00 15.00 C ATOM 0 H THR A 256 -2.975 4.748 4.602 1.00 15.00 H new ATOM 0 HA THR A 256 -1.606 2.675 3.005 1.00 15.00 H new ATOM 0 HB THR A 256 -3.781 3.170 1.554 1.00 15.00 H new ATOM 0 HG1 THR A 256 -5.458 3.978 2.683 1.00 15.00 H new ATOM 0 HG21 THR A 256 -4.906 1.304 2.704 1.00 15.00 H new ATOM 0 HG22 THR A 256 -3.166 0.993 2.499 1.00 15.00 H new ATOM 0 HG23 THR A 256 -3.799 1.492 4.085 1.00 15.00 H new ATOM 422 N SER A 257 -0.984 4.182 1.106 1.00 15.00 N ATOM 423 CA SER A 257 -0.459 5.087 0.085 1.00 15.00 C ATOM 424 C SER A 257 -0.299 4.339 -1.235 1.00 15.00 C ATOM 425 O SER A 257 0.214 3.231 -1.253 1.00 15.00 O ATOM 426 CB SER A 257 0.880 5.672 0.539 1.00 15.00 C ATOM 427 OG SER A 257 0.720 6.418 1.735 1.00 15.00 O ATOM 0 H SER A 257 -0.695 3.211 0.990 1.00 15.00 H new ATOM 0 HA SER A 257 -1.160 5.908 -0.062 1.00 15.00 H new ATOM 0 HB2 SER A 257 1.598 4.868 0.699 1.00 15.00 H new ATOM 0 HB3 SER A 257 1.287 6.312 -0.244 1.00 15.00 H new ATOM 0 HG SER A 257 1.586 6.783 2.011 1.00 15.00 H new ATOM 433 N TRP A 258 -0.715 4.957 -2.331 1.00 15.00 N ATOM 434 CA TRP A 258 -0.816 4.270 -3.622 1.00 15.00 C ATOM 435 C TRP A 258 0.520 3.705 -4.122 1.00 15.00 C ATOM 436 O TRP A 258 0.616 2.525 -4.453 1.00 15.00 O ATOM 437 CB TRP A 258 -1.369 5.215 -4.691 1.00 15.00 C ATOM 438 CG TRP A 258 -2.740 5.756 -4.413 1.00 15.00 C ATOM 439 CD1 TRP A 258 -3.053 7.019 -3.997 1.00 15.00 C ATOM 440 CD2 TRP A 258 -3.987 5.062 -4.551 1.00 15.00 C ATOM 441 NE1 TRP A 258 -4.413 7.155 -3.879 1.00 15.00 N ATOM 442 CE2 TRP A 258 -5.007 5.970 -4.213 1.00 15.00 C ATOM 443 CE3 TRP A 258 -4.343 3.765 -4.928 1.00 15.00 C ATOM 444 CZ2 TRP A 258 -6.353 5.625 -4.247 1.00 15.00 C ATOM 445 CZ3 TRP A 258 -5.682 3.426 -4.957 1.00 15.00 C ATOM 446 CH2 TRP A 258 -6.671 4.355 -4.621 1.00 15.00 C ATOM 0 H TRP A 258 -0.991 5.939 -2.357 1.00 15.00 H new ATOM 0 HA TRP A 258 -1.492 3.431 -3.454 1.00 15.00 H new ATOM 0 HB2 TRP A 258 -0.681 6.053 -4.805 1.00 15.00 H new ATOM 0 HB3 TRP A 258 -1.390 4.688 -5.645 1.00 15.00 H new ATOM 0 HD1 TRP A 258 -2.334 7.798 -3.791 1.00 15.00 H new ATOM 0 HE1 TRP A 258 -4.901 8.002 -3.589 1.00 15.00 H new ATOM 0 HE3 TRP A 258 -3.586 3.041 -5.192 1.00 15.00 H new ATOM 0 HZ2 TRP A 258 -7.120 6.339 -3.986 1.00 15.00 H new ATOM 0 HZ3 TRP A 258 -5.970 2.425 -5.244 1.00 15.00 H new ATOM 0 HH2 TRP A 258 -7.709 4.059 -4.659 1.00 15.00 H new ATOM 457 N LEU A 259 1.541 4.546 -4.194 1.00 15.00 N ATOM 458 CA LEU A 259 2.749 4.202 -4.938 1.00 15.00 C ATOM 459 C LEU A 259 4.016 4.179 -4.099 1.00 15.00 C ATOM 460 O LEU A 259 4.082 4.762 -3.018 1.00 15.00 O ATOM 461 CB LEU A 259 2.924 5.112 -6.147 1.00 15.00 C ATOM 462 CG LEU A 259 2.223 4.607 -7.405 1.00 15.00 C ATOM 463 CD1 LEU A 259 2.513 5.517 -8.584 1.00 15.00 C ATOM 464 CD2 LEU A 259 2.663 3.178 -7.704 1.00 15.00 C ATOM 0 H LEU A 259 1.560 5.465 -3.751 1.00 15.00 H new ATOM 0 HA LEU A 259 2.597 3.176 -5.274 1.00 15.00 H new ATOM 0 HB2 LEU A 259 2.542 6.103 -5.902 1.00 15.00 H new ATOM 0 HB3 LEU A 259 3.988 5.223 -6.355 1.00 15.00 H new ATOM 0 HG LEU A 259 1.146 4.614 -7.234 1.00 15.00 H new ATOM 0 HD11 LEU A 259 2.003 5.138 -9.470 1.00 15.00 H new ATOM 0 HD12 LEU A 259 2.157 6.523 -8.363 1.00 15.00 H new ATOM 0 HD13 LEU A 259 3.587 5.544 -8.767 1.00 15.00 H new ATOM 0 HD21 LEU A 259 2.159 2.823 -8.603 1.00 15.00 H new ATOM 0 HD22 LEU A 259 3.742 3.154 -7.859 1.00 15.00 H new ATOM 0 HD23 LEU A 259 2.403 2.534 -6.864 1.00 15.00 H new ATOM 476 N ASP A 260 5.019 3.489 -4.651 1.00 15.00 N ATOM 477 CA ASP A 260 6.286 3.206 -3.978 1.00 15.00 C ATOM 478 C ASP A 260 7.007 4.491 -3.586 1.00 15.00 C ATOM 479 O ASP A 260 7.384 5.297 -4.441 1.00 15.00 O ATOM 480 CB ASP A 260 7.177 2.390 -4.928 1.00 15.00 C ATOM 481 CG ASP A 260 8.438 1.848 -4.277 1.00 15.00 C ATOM 482 OD1 ASP A 260 9.192 2.631 -3.665 1.00 15.00 O1- ATOM 483 OD2 ASP A 260 8.677 0.627 -4.389 1.00 15.00 O ATOM 0 H ASP A 260 4.970 3.106 -5.595 1.00 15.00 H new ATOM 0 HA ASP A 260 6.079 2.645 -3.067 1.00 15.00 H new ATOM 0 HB2 ASP A 260 6.599 1.556 -5.326 1.00 15.00 H new ATOM 0 HB3 ASP A 260 7.458 3.016 -5.775 1.00 15.00 H new ATOM 488 N PRO A 261 7.193 4.690 -2.274 1.00 15.00 N ATOM 489 CA PRO A 261 7.834 5.883 -1.727 1.00 15.00 C ATOM 490 C PRO A 261 9.359 5.841 -1.808 1.00 15.00 C ATOM 491 O PRO A 261 10.019 6.879 -1.786 1.00 15.00 O ATOM 492 CB PRO A 261 7.375 5.867 -0.273 1.00 15.00 C ATOM 493 CG PRO A 261 7.250 4.422 0.054 1.00 15.00 C ATOM 494 CD PRO A 261 6.774 3.757 -1.210 1.00 15.00 C ATOM 0 HA PRO A 261 7.562 6.782 -2.280 1.00 15.00 H new ATOM 0 HB2 PRO A 261 8.096 6.362 0.378 1.00 15.00 H new ATOM 0 HB3 PRO A 261 6.425 6.387 -0.149 1.00 15.00 H new ATOM 0 HG2 PRO A 261 8.206 4.010 0.377 1.00 15.00 H new ATOM 0 HG3 PRO A 261 6.543 4.265 0.869 1.00 15.00 H new ATOM 0 HD2 PRO A 261 7.225 2.773 -1.339 1.00 15.00 H new ATOM 0 HD3 PRO A 261 5.693 3.614 -1.205 1.00 15.00 H new ATOM 502 N ARG A 262 9.925 4.641 -1.864 1.00 15.00 N ATOM 503 CA ARG A 262 11.370 4.498 -1.884 1.00 15.00 C ATOM 504 C ARG A 262 11.917 4.750 -3.287 1.00 15.00 C ATOM 505 O ARG A 262 13.031 5.246 -3.445 1.00 15.00 O ATOM 506 CB ARG A 262 11.804 3.127 -1.345 1.00 15.00 C ATOM 507 CG ARG A 262 13.307 2.866 -1.420 1.00 15.00 C ATOM 508 CD ARG A 262 14.098 3.730 -0.436 1.00 15.00 C ATOM 509 NE ARG A 262 13.976 5.162 -0.724 1.00 15.00 N ATOM 510 CZ ARG A 262 14.327 6.130 0.123 1.00 15.00 C ATOM 511 NH1 ARG A 262 14.941 5.839 1.264 1.00 15.00 N1+ ATOM 512 NH2 ARG A 262 14.087 7.398 -0.190 1.00 15.00 N ATOM 0 H ARG A 262 9.408 3.762 -1.896 1.00 15.00 H new ATOM 0 HA ARG A 262 11.794 5.252 -1.220 1.00 15.00 H new ATOM 0 HB2 ARG A 262 11.484 3.041 -0.307 1.00 15.00 H new ATOM 0 HB3 ARG A 262 11.284 2.349 -1.904 1.00 15.00 H new ATOM 0 HG2 ARG A 262 13.501 1.814 -1.213 1.00 15.00 H new ATOM 0 HG3 ARG A 262 13.657 3.061 -2.434 1.00 15.00 H new ATOM 0 HD2 ARG A 262 13.747 3.535 0.577 1.00 15.00 H new ATOM 0 HD3 ARG A 262 15.149 3.444 -0.470 1.00 15.00 H new ATOM 0 HE ARG A 262 13.598 5.436 -1.631 1.00 15.00 H new ATOM 0 HH11 ARG A 262 15.148 4.868 1.499 1.00 15.00 H new ATOM 0 HH12 ARG A 262 15.206 6.586 1.906 1.00 15.00 H new ATOM 0 HH21 ARG A 262 13.636 7.628 -1.075 1.00 15.00 H new ATOM 0 HH22 ARG A 262 14.354 8.142 0.455 1.00 15.00 H new ATOM 526 N LEU A 263 11.138 4.385 -4.297 1.00 15.00 N ATOM 527 CA LEU A 263 11.510 4.641 -5.687 1.00 15.00 C ATOM 528 C LEU A 263 11.212 6.084 -6.086 1.00 15.00 C ATOM 529 O LEU A 263 11.595 6.523 -7.170 1.00 15.00 O ATOM 530 CB LEU A 263 10.787 3.684 -6.634 1.00 15.00 C ATOM 531 CG LEU A 263 11.161 2.209 -6.485 1.00 15.00 C ATOM 532 CD1 LEU A 263 10.414 1.373 -7.510 1.00 15.00 C ATOM 533 CD2 LEU A 263 12.663 2.017 -6.632 1.00 15.00 C ATOM 0 H LEU A 263 10.243 3.910 -4.182 1.00 15.00 H new ATOM 0 HA LEU A 263 12.584 4.474 -5.768 1.00 15.00 H new ATOM 0 HB2 LEU A 263 9.713 3.787 -6.478 1.00 15.00 H new ATOM 0 HB3 LEU A 263 10.991 3.991 -7.660 1.00 15.00 H new ATOM 0 HG LEU A 263 10.873 1.878 -5.487 1.00 15.00 H new ATOM 0 HD11 LEU A 263 10.689 0.325 -7.394 1.00 15.00 H new ATOM 0 HD12 LEU A 263 9.340 1.486 -7.359 1.00 15.00 H new ATOM 0 HD13 LEU A 263 10.676 1.708 -8.514 1.00 15.00 H new ATOM 0 HD21 LEU A 263 12.907 0.960 -6.523 1.00 15.00 H new ATOM 0 HD22 LEU A 263 12.979 2.362 -7.616 1.00 15.00 H new ATOM 0 HD23 LEU A 263 13.180 2.590 -5.863 1.00 15.00 H new ATOM 545 N ASP A 264 10.497 6.798 -5.225 1.00 15.00 N ATOM 546 CA ASP A 264 10.094 8.180 -5.503 1.00 15.00 C ATOM 547 C ASP A 264 11.286 9.104 -5.818 1.00 15.00 C ATOM 548 O ASP A 264 11.241 9.841 -6.806 1.00 15.00 O ATOM 549 CB ASP A 264 9.273 8.750 -4.340 1.00 15.00 C ATOM 550 CG ASP A 264 8.867 10.193 -4.561 1.00 15.00 C ATOM 551 OD1 ASP A 264 7.883 10.433 -5.292 1.00 15.00 O1- ATOM 552 OD2 ASP A 264 9.526 11.095 -4.006 1.00 15.00 O ATOM 0 H ASP A 264 10.181 6.444 -4.322 1.00 15.00 H new ATOM 0 HA ASP A 264 9.475 8.145 -6.400 1.00 15.00 H new ATOM 0 HB2 ASP A 264 8.379 8.143 -4.200 1.00 15.00 H new ATOM 0 HB3 ASP A 264 9.854 8.677 -3.421 1.00 15.00 H new ATOM 557 N PRO A 265 12.344 9.109 -4.977 1.00 15.00 N ATOM 558 CA PRO A 265 13.563 9.895 -5.229 1.00 15.00 C ATOM 559 C PRO A 265 14.250 9.519 -6.545 1.00 15.00 C ATOM 560 O PRO A 265 14.827 8.413 -6.631 1.00 15.00 O ATOM 561 CB PRO A 265 14.471 9.560 -4.038 1.00 15.00 C ATOM 562 CG PRO A 265 13.904 8.316 -3.452 1.00 15.00 C ATOM 563 CD PRO A 265 12.428 8.390 -3.701 1.00 15.00 C ATOM 564 OXT PRO A 265 14.227 10.344 -7.483 1.00 15.00 O ATOM 0 HA PRO A 265 13.337 10.957 -5.323 1.00 15.00 H new ATOM 0 HB2 PRO A 265 15.502 9.410 -4.359 1.00 15.00 H new ATOM 0 HB3 PRO A 265 14.479 10.370 -3.309 1.00 15.00 H new ATOM 0 HG2 PRO A 265 14.336 7.431 -3.918 1.00 15.00 H new ATOM 0 HG3 PRO A 265 14.119 8.252 -2.385 1.00 15.00 H new ATOM 0 HD2 PRO A 265 11.980 7.399 -3.766 1.00 15.00 H new ATOM 0 HD3 PRO A 265 11.910 8.922 -2.903 1.00 15.00 H new TER 572 PRO A 265 ATOM 573 N SER B 206 -6.660 11.589 -3.209 1.00 15.00 N ATOM 574 CA SER B 206 -7.612 10.464 -3.131 1.00 15.00 C ATOM 575 C SER B 206 -7.127 9.451 -2.103 1.00 15.00 C ATOM 576 O SER B 206 -6.030 8.907 -2.235 1.00 15.00 O ATOM 577 CB SER B 206 -7.736 9.802 -4.502 1.00 15.00 C ATOM 578 OG SER B 206 -7.966 10.773 -5.514 1.00 15.00 O ATOM 0 HA SER B 206 -8.590 10.837 -2.826 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.826 9.246 -4.726 1.00 15.00 H new ATOM 0 HB3 SER B 206 -8.554 9.082 -4.490 1.00 15.00 H new ATOM 0 HG SER B 206 -7.665 11.651 -5.199 1.00 15.00 H new ATOM 586 N PRO B 207 -7.932 9.198 -1.060 1.00 15.00 N ATOM 587 CA PRO B 207 -7.563 8.277 0.016 1.00 15.00 C ATOM 588 C PRO B 207 -7.550 6.819 -0.439 1.00 15.00 C ATOM 589 O PRO B 207 -8.547 6.307 -0.953 1.00 15.00 O ATOM 590 CB PRO B 207 -8.649 8.502 1.070 1.00 15.00 C ATOM 591 CG PRO B 207 -9.823 9.015 0.309 1.00 15.00 C ATOM 592 CD PRO B 207 -9.263 9.797 -0.847 1.00 15.00 C ATOM 0 HA PRO B 207 -6.553 8.466 0.381 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -8.891 7.576 1.592 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.324 9.218 1.825 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.448 8.194 -0.042 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.450 9.646 0.939 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -9.890 9.706 -1.734 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.192 10.860 -0.615 1.00 15.00 H new ATOM 600 N PRO B 208 -6.403 6.144 -0.276 1.00 15.00 N ATOM 601 CA PRO B 208 -6.264 4.717 -0.580 1.00 15.00 C ATOM 602 C PRO B 208 -7.140 3.865 0.341 1.00 15.00 C ATOM 603 O PRO B 208 -7.398 4.251 1.484 1.00 15.00 O ATOM 604 CB PRO B 208 -4.769 4.447 -0.330 1.00 15.00 C ATOM 605 CG PRO B 208 -4.127 5.789 -0.370 1.00 15.00 C ATOM 606 CD PRO B 208 -5.141 6.720 0.209 1.00 15.00 C ATOM 0 HA PRO B 208 -6.580 4.465 -1.592 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.611 3.962 0.633 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.354 3.787 -1.092 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -3.203 5.802 0.209 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.868 6.072 -1.390 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.096 6.745 1.298 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -5.000 7.743 -0.139 1.00 15.00 H new ATOM 614 N PRO B 209 -7.572 2.680 -0.137 1.00 15.00 N ATOM 615 CA PRO B 209 -8.497 1.794 0.588 1.00 15.00 C ATOM 616 C PRO B 209 -8.079 1.550 2.032 1.00 15.00 C ATOM 617 O PRO B 209 -6.893 1.435 2.330 1.00 15.00 O ATOM 618 CB PRO B 209 -8.434 0.476 -0.206 1.00 15.00 C ATOM 619 CG PRO B 209 -7.298 0.634 -1.159 1.00 15.00 C ATOM 620 CD PRO B 209 -7.201 2.102 -1.429 1.00 15.00 C ATOM 0 HA PRO B 209 -9.493 2.231 0.651 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -8.273 -0.374 0.458 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -9.368 0.294 -0.737 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -6.371 0.252 -0.731 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -7.478 0.077 -2.079 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -6.196 2.394 -1.732 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -7.877 2.415 -2.224 1.00 15.00 H new ATOM 628 N PRO B 210 -9.071 1.459 2.936 1.00 15.00 N ATOM 629 CA PRO B 210 -8.840 1.277 4.374 1.00 15.00 C ATOM 630 C PRO B 210 -7.859 0.153 4.690 1.00 15.00 C ATOM 631 O PRO B 210 -8.021 -0.980 4.238 1.00 15.00 O ATOM 632 CB PRO B 210 -10.228 0.940 4.909 1.00 15.00 C ATOM 633 CG PRO B 210 -11.164 1.609 3.967 1.00 15.00 C ATOM 634 CD PRO B 210 -10.511 1.527 2.617 1.00 15.00 C ATOM 0 HA PRO B 210 -8.390 2.163 4.822 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -10.393 -0.137 4.934 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -10.360 1.306 5.927 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.135 1.114 3.963 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.336 2.646 4.256 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.842 0.648 2.064 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.746 2.397 2.004 1.00 15.00 H new ATOM 642 N TYR B 211 -6.857 0.484 5.494 1.00 15.00 N ATOM 643 CA TYR B 211 -5.781 -0.440 5.841 1.00 15.00 C ATOM 644 C TYR B 211 -6.253 -1.532 6.815 1.00 15.00 C ATOM 645 O TYR B 211 -5.542 -2.509 7.059 1.00 15.00 O ATOM 646 CB TYR B 211 -4.606 0.366 6.425 1.00 15.00 C ATOM 647 CG TYR B 211 -3.616 -0.431 7.244 1.00 15.00 C ATOM 648 CD1 TYR B 211 -2.733 -1.323 6.650 1.00 15.00 C ATOM 649 CD2 TYR B 211 -3.572 -0.285 8.622 1.00 15.00 C ATOM 650 CE1 TYR B 211 -1.839 -2.051 7.411 1.00 15.00 C ATOM 651 CE2 TYR B 211 -2.679 -1.002 9.389 1.00 15.00 C ATOM 652 CZ TYR B 211 -1.814 -1.885 8.779 1.00 15.00 C ATOM 653 OH TYR B 211 -0.934 -2.617 9.541 1.00 15.00 O ATOM 0 H TYR B 211 -6.766 1.403 5.926 1.00 15.00 H new ATOM 0 HA TYR B 211 -5.454 -0.959 4.940 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -4.071 0.843 5.604 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -5.009 1.163 7.049 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -2.745 -1.449 5.577 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -4.250 0.404 9.104 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -1.163 -2.747 6.936 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -2.657 -0.873 10.461 1.00 15.00 H new ATOM 0 HH TYR B 211 -1.044 -2.380 10.486 1.00 15.00 H new ATOM 663 N SER B 212 -7.453 -1.374 7.359 1.00 15.00 N ATOM 664 CA SER B 212 -7.975 -2.327 8.329 1.00 15.00 C ATOM 665 C SER B 212 -8.072 -3.731 7.728 1.00 15.00 C ATOM 666 O SER B 212 -7.694 -4.712 8.369 1.00 15.00 O ATOM 667 CB SER B 212 -9.337 -1.866 8.846 1.00 15.00 C ATOM 668 OG SER B 212 -9.268 -0.533 9.332 1.00 15.00 O ATOM 0 H SER B 212 -8.080 -0.598 7.146 1.00 15.00 H new ATOM 0 HA SER B 212 -7.280 -2.372 9.168 1.00 15.00 H new ATOM 0 HB2 SER B 212 -10.075 -1.928 8.046 1.00 15.00 H new ATOM 0 HB3 SER B 212 -9.673 -2.531 9.642 1.00 15.00 H new ATOM 0 HG SER B 212 -10.151 -0.257 9.657 1.00 15.00 H new ATOM 674 N ARG B 213 -8.595 -3.832 6.509 1.00 15.00 N ATOM 675 CA ARG B 213 -8.619 -5.106 5.805 1.00 15.00 C ATOM 676 C ARG B 213 -8.552 -4.892 4.296 1.00 15.00 C ATOM 677 O ARG B 213 -8.792 -3.789 3.808 1.00 15.00 O ATOM 678 CB ARG B 213 -9.848 -5.932 6.162 1.00 15.00 C ATOM 679 CG ARG B 213 -9.581 -7.420 6.017 1.00 15.00 C ATOM 680 CD ARG B 213 -9.013 -8.013 7.295 1.00 15.00 C ATOM 681 NE ARG B 213 -10.017 -8.118 8.354 1.00 15.00 N ATOM 682 CZ ARG B 213 -10.012 -9.070 9.286 1.00 15.00 C ATOM 683 NH1 ARG B 213 -9.024 -9.956 9.324 1.00 15.00 N1+ ATOM 684 NH2 ARG B 213 -10.984 -9.131 10.184 1.00 15.00 N ATOM 0 H ARG B 213 -9.004 -3.053 5.994 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.739 -5.664 6.125 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.149 -5.714 7.187 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -10.679 -5.646 5.518 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.507 -7.933 5.757 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -8.883 -7.587 5.196 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.606 -9.002 7.084 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.185 -7.395 7.643 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.763 -7.423 8.380 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.269 -9.908 8.640 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -9.020 -10.685 10.037 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -11.741 -8.447 10.164 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -10.976 -9.862 10.896 1.00 15.00 H new ATOM 698 N TYR B 214 -8.264 -5.962 3.560 1.00 15.00 N ATOM 699 CA TYR B 214 -7.965 -5.858 2.136 1.00 15.00 C ATOM 700 C TYR B 214 -9.235 -5.980 1.309 1.00 15.00 C ATOM 701 O TYR B 214 -9.971 -6.959 1.423 1.00 15.00 O ATOM 702 CB TYR B 214 -6.990 -6.961 1.699 1.00 15.00 C ATOM 703 CG TYR B 214 -5.836 -7.200 2.648 1.00 15.00 C ATOM 704 CD1 TYR B 214 -5.467 -6.251 3.587 1.00 15.00 C ATOM 705 CD2 TYR B 214 -5.128 -8.393 2.610 1.00 15.00 C ATOM 706 CE1 TYR B 214 -4.433 -6.475 4.460 1.00 15.00 C ATOM 707 CE2 TYR B 214 -4.082 -8.628 3.482 1.00 15.00 C ATOM 708 CZ TYR B 214 -3.739 -7.665 4.407 1.00 15.00 C ATOM 709 OH TYR B 214 -2.704 -7.898 5.281 1.00 15.00 O ATOM 0 H TYR B 214 -8.232 -6.913 3.928 1.00 15.00 H new ATOM 0 HA TYR B 214 -7.510 -4.882 1.970 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.545 -7.892 1.582 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.589 -6.704 0.719 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.004 -5.315 3.633 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -5.399 -9.149 1.888 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -4.164 -5.722 5.186 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.537 -9.559 3.439 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.324 -8.785 5.109 1.00 15.00 H new ATOM 719 N PRO B 215 -9.487 -4.988 0.447 1.00 15.00 N ATOM 720 CA PRO B 215 -10.638 -4.986 -0.457 1.00 15.00 C ATOM 721 C PRO B 215 -10.372 -5.790 -1.733 1.00 15.00 C ATOM 722 O PRO B 215 -11.130 -5.709 -2.703 1.00 15.00 O ATOM 723 CB PRO B 215 -10.790 -3.502 -0.786 1.00 15.00 C ATOM 724 CG PRO B 215 -9.396 -2.976 -0.755 1.00 15.00 C ATOM 725 CD PRO B 215 -8.670 -3.770 0.298 1.00 15.00 C ATOM 0 HA PRO B 215 -11.523 -5.444 -0.014 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -11.249 -3.356 -1.764 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -11.423 -2.995 -0.058 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -8.916 -3.088 -1.727 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -9.387 -1.913 -0.516 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.652 -4.007 -0.011 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -8.599 -3.219 1.236 1.00 15.00 H new ATOM 733 N MET B 216 -9.298 -6.566 -1.722 1.00 15.00 N ATOM 734 CA MET B 216 -8.901 -7.348 -2.885 1.00 15.00 C ATOM 735 C MET B 216 -9.483 -8.754 -2.813 1.00 15.00 C ATOM 736 O MET B 216 -9.164 -9.520 -1.901 1.00 15.00 O ATOM 737 CB MET B 216 -7.371 -7.407 -2.991 1.00 15.00 C ATOM 738 CG MET B 216 -6.850 -8.094 -4.253 1.00 15.00 C ATOM 739 SD MET B 216 -6.919 -9.899 -4.182 1.00 15.00 S ATOM 740 CE MET B 216 -5.797 -10.228 -2.825 1.00 15.00 C ATOM 0 H MET B 216 -8.682 -6.671 -0.916 1.00 15.00 H new ATOM 0 HA MET B 216 -9.294 -6.860 -3.777 1.00 15.00 H new ATOM 0 HB2 MET B 216 -6.977 -6.391 -2.957 1.00 15.00 H new ATOM 0 HB3 MET B 216 -6.979 -7.930 -2.119 1.00 15.00 H new ATOM 0 HG2 MET B 216 -7.431 -7.751 -5.109 1.00 15.00 H new ATOM 0 HG3 MET B 216 -5.819 -7.786 -4.424 1.00 15.00 H new ATOM 0 HE1 MET B 216 -5.400 -11.239 -2.918 1.00 15.00 H new ATOM 0 HE2 MET B 216 -4.976 -9.512 -2.850 1.00 15.00 H new ATOM 0 HE3 MET B 216 -6.332 -10.134 -1.880 1.00 15.00 H new ATOM 750 N ASP B 217 -10.342 -9.075 -3.773 1.00 15.00 N ATOM 751 CA ASP B 217 -10.904 -10.414 -3.902 1.00 15.00 C ATOM 752 C ASP B 217 -11.756 -10.506 -5.160 1.00 15.00 C ATOM 753 O ASP B 217 -12.893 -9.986 -5.148 1.00 15.00 O ATOM 754 CB ASP B 217 -11.746 -10.798 -2.683 1.00 15.00 C ATOM 755 CG ASP B 217 -12.223 -12.233 -2.759 1.00 15.00 C ATOM 756 OD1 ASP B 217 -11.368 -13.142 -2.824 1.00 15.00 O1- ATOM 757 OD2 ASP B 217 -13.450 -12.463 -2.759 1.00 15.00 O ATOM 758 OXT ASP B 217 -11.288 -11.083 -6.158 1.00 15.00 O ATOM 0 H ASP B 217 -10.668 -8.417 -4.481 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.070 -11.113 -3.969 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -11.158 -10.658 -1.776 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.606 -10.132 -2.611 1.00 15.00 H new TER 763 ASP B 217