USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 382 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 117 THR OG1 : rot -58:sc= 0.0293 USER MOD Set 1.2: A 127 CYS SG : rot 180:sc= 0.0291 USER MOD Set 2.1: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 134 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0023) USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.926) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot 180:sc= 0.00154 USER MOD Single : A 103 TYR OH : rot 30:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.18) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 87 9.296 3.696 -2.472 1.00 0.00 N ATOM 101 CA PHE A 87 9.649 2.670 -1.484 1.00 0.00 C ATOM 102 C PHE A 87 10.601 3.215 -0.398 1.00 0.00 C ATOM 103 O PHE A 87 11.206 4.282 -0.550 1.00 0.00 O ATOM 104 CB PHE A 87 10.282 1.470 -2.207 1.00 0.00 C ATOM 105 CG PHE A 87 9.299 0.597 -2.971 1.00 0.00 C ATOM 106 CD1 PHE A 87 8.377 -0.204 -2.268 1.00 0.00 C ATOM 107 CD2 PHE A 87 9.317 0.560 -4.379 1.00 0.00 C ATOM 108 CE1 PHE A 87 7.479 -1.032 -2.968 1.00 0.00 C ATOM 109 CE2 PHE A 87 8.425 -0.274 -5.078 1.00 0.00 C ATOM 110 CZ PHE A 87 7.506 -1.069 -4.372 1.00 0.00 C ATOM 0 HA PHE A 87 8.738 2.356 -0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 87 11.036 1.839 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.800 0.853 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.359 -0.183 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.018 1.174 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.769 -1.639 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.447 -0.303 -6.157 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.821 -1.708 -4.909 1.00 0.00 H new ATOM 120 N LYS A 88 10.766 2.452 0.694 1.00 0.00 N ATOM 121 CA LYS A 88 11.585 2.790 1.871 1.00 0.00 C ATOM 122 C LYS A 88 12.598 1.684 2.197 1.00 0.00 C ATOM 123 O LYS A 88 12.363 0.509 1.915 1.00 0.00 O ATOM 124 CB LYS A 88 10.631 2.971 3.058 1.00 0.00 C ATOM 125 CG LYS A 88 9.700 4.187 2.933 1.00 0.00 C ATOM 126 CD LYS A 88 8.475 3.990 3.830 1.00 0.00 C ATOM 127 CE LYS A 88 7.362 3.250 3.074 1.00 0.00 C ATOM 128 NZ LYS A 88 6.280 2.808 3.989 1.00 0.00 N ATOM 0 H LYS A 88 10.313 1.543 0.786 1.00 0.00 H new ATOM 0 HA LYS A 88 12.151 3.699 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.024 2.072 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.218 3.069 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.231 5.095 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.388 4.314 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.756 3.425 4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.108 4.958 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.946 3.903 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.783 2.384 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.369 2.838 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.469 1.836 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.243 3.440 4.814 1.00 0.00 H new ATOM 142 N ALA A 89 13.716 2.054 2.819 1.00 0.00 N ATOM 143 CA ALA A 89 14.714 1.100 3.309 1.00 0.00 C ATOM 144 C ALA A 89 14.165 0.286 4.500 1.00 0.00 C ATOM 145 O ALA A 89 13.507 0.835 5.391 1.00 0.00 O ATOM 146 CB ALA A 89 15.980 1.874 3.694 1.00 0.00 C ATOM 0 H ALA A 89 13.958 3.028 2.999 1.00 0.00 H new ATOM 0 HA ALA A 89 14.955 0.383 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.734 1.178 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.366 2.399 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 89 15.742 2.596 4.475 1.00 0.00 H new ATOM 152 N GLY A 90 14.432 -1.023 4.522 1.00 0.00 N ATOM 153 CA GLY A 90 13.943 -1.961 5.542 1.00 0.00 C ATOM 154 C GLY A 90 12.450 -2.310 5.437 1.00 0.00 C ATOM 155 O GLY A 90 11.915 -2.963 6.334 1.00 0.00 O ATOM 0 H GLY A 90 15.010 -1.474 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.522 -2.882 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.133 -1.535 6.527 1.00 0.00 H new ATOM 159 N GLU A 91 11.761 -1.873 4.379 1.00 0.00 N ATOM 160 CA GLU A 91 10.316 -2.066 4.193 1.00 0.00 C ATOM 161 C GLU A 91 9.991 -3.412 3.525 1.00 0.00 C ATOM 162 O GLU A 91 10.704 -3.871 2.629 1.00 0.00 O ATOM 163 CB GLU A 91 9.778 -0.884 3.372 1.00 0.00 C ATOM 164 CG GLU A 91 8.253 -0.804 3.222 1.00 0.00 C ATOM 165 CD GLU A 91 7.533 -0.732 4.580 1.00 0.00 C ATOM 166 OE1 GLU A 91 7.315 -1.794 5.211 1.00 0.00 O ATOM 167 OE2 GLU A 91 7.186 0.393 5.015 1.00 0.00 O ATOM 0 H GLU A 91 12.199 -1.365 3.611 1.00 0.00 H new ATOM 0 HA GLU A 91 9.828 -2.095 5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.126 0.040 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.219 -0.929 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.994 0.074 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.899 -1.676 2.672 1.00 0.00 H new ATOM 174 N GLU A 92 8.899 -4.048 3.957 1.00 0.00 N ATOM 175 CA GLU A 92 8.445 -5.347 3.446 1.00 0.00 C ATOM 176 C GLU A 92 7.581 -5.195 2.185 1.00 0.00 C ATOM 177 O GLU A 92 6.749 -4.288 2.073 1.00 0.00 O ATOM 178 CB GLU A 92 7.669 -6.111 4.528 1.00 0.00 C ATOM 179 CG GLU A 92 8.569 -6.529 5.699 1.00 0.00 C ATOM 180 CD GLU A 92 7.782 -7.364 6.724 1.00 0.00 C ATOM 181 OE1 GLU A 92 7.127 -6.775 7.618 1.00 0.00 O ATOM 182 OE2 GLU A 92 7.819 -8.617 6.647 1.00 0.00 O ATOM 0 H GLU A 92 8.294 -3.669 4.685 1.00 0.00 H new ATOM 0 HA GLU A 92 9.334 -5.917 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.857 -5.486 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.212 -6.998 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.414 -7.107 5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.978 -5.642 6.183 1.00 0.00 H new ATOM 189 N VAL A 93 7.771 -6.113 1.236 1.00 0.00 N ATOM 190 CA VAL A 93 7.201 -6.091 -0.121 1.00 0.00 C ATOM 191 C VAL A 93 6.902 -7.513 -0.617 1.00 0.00 C ATOM 192 O VAL A 93 7.318 -8.505 -0.013 1.00 0.00 O ATOM 193 CB VAL A 93 8.153 -5.372 -1.112 1.00 0.00 C ATOM 194 CG1 VAL A 93 8.296 -3.880 -0.787 1.00 0.00 C ATOM 195 CG2 VAL A 93 9.559 -5.987 -1.182 1.00 0.00 C ATOM 0 H VAL A 93 8.354 -6.934 1.396 1.00 0.00 H new ATOM 0 HA VAL A 93 6.264 -5.536 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 93 7.677 -5.503 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.971 -3.414 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.319 -3.400 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.700 -3.764 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.165 -5.429 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.025 -5.942 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.486 -7.026 -1.502 1.00 0.00 H new ATOM 205 N LEU A 94 6.199 -7.618 -1.745 1.00 0.00 N ATOM 206 CA LEU A 94 5.998 -8.866 -2.485 1.00 0.00 C ATOM 207 C LEU A 94 6.819 -8.788 -3.777 1.00 0.00 C ATOM 208 O LEU A 94 6.783 -7.766 -4.462 1.00 0.00 O ATOM 209 CB LEU A 94 4.502 -9.032 -2.807 1.00 0.00 C ATOM 210 CG LEU A 94 3.563 -9.136 -1.594 1.00 0.00 C ATOM 211 CD1 LEU A 94 2.117 -9.168 -2.095 1.00 0.00 C ATOM 212 CD2 LEU A 94 3.829 -10.393 -0.765 1.00 0.00 C ATOM 0 H LEU A 94 5.742 -6.817 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 94 6.321 -9.724 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.185 -8.186 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.378 -9.927 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 94 3.741 -8.272 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.439 -9.242 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.904 -8.255 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.977 -10.030 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.142 -10.423 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.680 -11.277 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.855 -10.377 -0.398 1.00 0.00 H new ATOM 224 N ALA A 95 7.568 -9.830 -4.126 1.00 0.00 N ATOM 225 CA ALA A 95 8.435 -9.813 -5.308 1.00 0.00 C ATOM 226 C ALA A 95 8.617 -11.211 -5.926 1.00 0.00 C ATOM 227 O ALA A 95 8.377 -12.227 -5.270 1.00 0.00 O ATOM 228 CB ALA A 95 9.767 -9.164 -4.906 1.00 0.00 C ATOM 0 H ALA A 95 7.594 -10.706 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 95 7.968 -9.224 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.434 -9.138 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.586 -8.148 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.229 -9.745 -4.108 1.00 0.00 H new ATOM 234 N ARG A 96 9.007 -11.272 -7.206 1.00 0.00 N ATOM 235 CA ARG A 96 9.095 -12.522 -7.989 1.00 0.00 C ATOM 236 C ARG A 96 10.534 -13.039 -8.063 1.00 0.00 C ATOM 237 O ARG A 96 11.463 -12.259 -8.268 1.00 0.00 O ATOM 238 CB ARG A 96 8.482 -12.280 -9.384 1.00 0.00 C ATOM 239 CG ARG A 96 8.335 -13.562 -10.225 1.00 0.00 C ATOM 240 CD ARG A 96 9.509 -13.813 -11.188 1.00 0.00 C ATOM 241 NE ARG A 96 9.418 -15.137 -11.840 1.00 0.00 N ATOM 242 CZ ARG A 96 8.663 -15.480 -12.870 1.00 0.00 C ATOM 243 NH1 ARG A 96 7.863 -14.638 -13.464 1.00 0.00 N ATOM 244 NH2 ARG A 96 8.702 -16.693 -13.340 1.00 0.00 N ATOM 0 H ARG A 96 9.275 -10.445 -7.739 1.00 0.00 H new ATOM 0 HA ARG A 96 8.525 -13.306 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.501 -11.819 -9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.105 -11.569 -9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.239 -14.416 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.411 -13.503 -10.801 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.525 -13.034 -11.950 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.449 -13.743 -10.640 1.00 0.00 H new ATOM 0 HE ARG A 96 10.007 -15.872 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.803 -13.674 -13.137 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.297 -14.944 -14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.318 -17.386 -12.914 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.117 -16.951 -14.135 1.00 0.00 H new ATOM 258 N TRP A 97 10.706 -14.362 -7.948 1.00 0.00 N ATOM 259 CA TRP A 97 12.034 -15.010 -7.926 1.00 0.00 C ATOM 260 C TRP A 97 12.164 -16.278 -8.791 1.00 0.00 C ATOM 261 O TRP A 97 13.252 -16.540 -9.310 1.00 0.00 O ATOM 262 CB TRP A 97 12.398 -15.318 -6.466 1.00 0.00 C ATOM 263 CG TRP A 97 13.844 -15.579 -6.171 1.00 0.00 C ATOM 264 CD1 TRP A 97 14.456 -16.785 -6.175 1.00 0.00 C ATOM 265 CD2 TRP A 97 14.862 -14.623 -5.750 1.00 0.00 C ATOM 266 NE1 TRP A 97 15.770 -16.642 -5.769 1.00 0.00 N ATOM 267 CE2 TRP A 97 16.060 -15.334 -5.446 1.00 0.00 C ATOM 268 CE3 TRP A 97 14.891 -13.223 -5.589 1.00 0.00 C ATOM 269 CZ2 TRP A 97 17.204 -14.692 -4.948 1.00 0.00 C ATOM 270 CZ3 TRP A 97 16.017 -12.575 -5.048 1.00 0.00 C ATOM 271 CH2 TRP A 97 17.159 -13.313 -4.696 1.00 0.00 C ATOM 0 H TRP A 97 9.930 -15.019 -7.867 1.00 0.00 H new ATOM 0 HA TRP A 97 12.731 -14.304 -8.378 1.00 0.00 H new ATOM 0 HB2 TRP A 97 12.072 -14.480 -5.850 1.00 0.00 H new ATOM 0 HB3 TRP A 97 11.824 -16.189 -6.149 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.989 -17.718 -6.453 1.00 0.00 H new ATOM 0 HE1 TRP A 97 16.441 -17.409 -5.715 1.00 0.00 H new ATOM 0 HE3 TRP A 97 14.034 -12.637 -5.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 18.108 -15.253 -4.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 16.003 -11.505 -4.903 1.00 0.00 H new ATOM 0 HH2 TRP A 97 18.001 -12.820 -4.232 1.00 0.00 H new ATOM 282 N THR A 98 11.077 -17.039 -9.001 1.00 0.00 N ATOM 283 CA THR A 98 11.121 -18.354 -9.681 1.00 0.00 C ATOM 284 C THR A 98 9.902 -18.582 -10.578 1.00 0.00 C ATOM 285 O THR A 98 10.057 -18.745 -11.788 1.00 0.00 O ATOM 286 CB THR A 98 11.227 -19.511 -8.662 1.00 0.00 C ATOM 287 OG1 THR A 98 12.238 -19.273 -7.703 1.00 0.00 O ATOM 288 CG2 THR A 98 11.581 -20.837 -9.338 1.00 0.00 C ATOM 0 H THR A 98 10.140 -16.764 -8.706 1.00 0.00 H new ATOM 0 HA THR A 98 12.013 -18.343 -10.308 1.00 0.00 H new ATOM 0 HB THR A 98 10.246 -19.567 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 98 12.276 -20.024 -7.074 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.645 -21.623 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.810 -21.092 -10.064 1.00 0.00 H new ATOM 0 HG23 THR A 98 12.541 -20.742 -9.846 1.00 0.00 H new ATOM 296 N ASP A 99 8.685 -18.500 -10.033 1.00 0.00 N ATOM 297 CA ASP A 99 7.420 -18.750 -10.747 1.00 0.00 C ATOM 298 C ASP A 99 6.511 -17.506 -10.754 1.00 0.00 C ATOM 299 O ASP A 99 6.841 -16.474 -10.169 1.00 0.00 O ATOM 300 CB ASP A 99 6.703 -19.956 -10.115 1.00 0.00 C ATOM 301 CG ASP A 99 7.495 -21.264 -10.271 1.00 0.00 C ATOM 302 OD1 ASP A 99 7.599 -21.771 -11.414 1.00 0.00 O ATOM 303 OD2 ASP A 99 7.986 -21.805 -9.253 1.00 0.00 O ATOM 0 H ASP A 99 8.544 -18.251 -9.054 1.00 0.00 H new ATOM 0 HA ASP A 99 7.651 -18.976 -11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.537 -19.761 -9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.722 -20.073 -10.575 1.00 0.00 H new ATOM 308 N CYS A 100 5.357 -17.586 -11.426 1.00 0.00 N ATOM 309 CA CYS A 100 4.408 -16.472 -11.572 1.00 0.00 C ATOM 310 C CYS A 100 3.837 -15.937 -10.239 1.00 0.00 C ATOM 311 O CYS A 100 3.356 -14.801 -10.190 1.00 0.00 O ATOM 312 CB CYS A 100 3.272 -16.916 -12.506 1.00 0.00 C ATOM 313 SG CYS A 100 3.933 -17.362 -14.142 1.00 0.00 S ATOM 0 H CYS A 100 5.050 -18.440 -11.892 1.00 0.00 H new ATOM 0 HA CYS A 100 4.962 -15.634 -11.995 1.00 0.00 H new ATOM 0 HB2 CYS A 100 2.749 -17.769 -12.073 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.542 -16.113 -12.608 1.00 0.00 H new ATOM 0 HG CYS A 100 2.958 -17.737 -14.916 1.00 0.00 H new ATOM 319 N ARG A 101 3.882 -16.733 -9.160 1.00 0.00 N ATOM 320 CA ARG A 101 3.509 -16.318 -7.797 1.00 0.00 C ATOM 321 C ARG A 101 4.618 -15.459 -7.174 1.00 0.00 C ATOM 322 O ARG A 101 5.777 -15.878 -7.130 1.00 0.00 O ATOM 323 CB ARG A 101 3.258 -17.547 -6.900 1.00 0.00 C ATOM 324 CG ARG A 101 1.965 -18.331 -7.199 1.00 0.00 C ATOM 325 CD ARG A 101 1.998 -19.235 -8.441 1.00 0.00 C ATOM 326 NE ARG A 101 3.011 -20.306 -8.326 1.00 0.00 N ATOM 327 CZ ARG A 101 3.296 -21.220 -9.236 1.00 0.00 C ATOM 328 NH1 ARG A 101 2.718 -21.244 -10.404 1.00 0.00 N ATOM 329 NH2 ARG A 101 4.182 -22.142 -8.987 1.00 0.00 N ATOM 0 H ARG A 101 4.186 -17.705 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 101 2.592 -15.733 -7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.105 -18.226 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.231 -17.218 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.728 -18.947 -6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.149 -17.617 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.015 -19.682 -8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 101 2.210 -18.630 -9.323 1.00 0.00 H new ATOM 0 HE ARG A 101 3.543 -20.343 -7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.019 -20.540 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.965 -21.966 -11.081 1.00 0.00 H new ATOM 0 HH21 ARG A 101 4.659 -22.160 -8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.398 -22.845 -9.693 1.00 0.00 H new ATOM 343 N TYR A 102 4.266 -14.281 -6.659 1.00 0.00 N ATOM 344 CA TYR A 102 5.169 -13.476 -5.827 1.00 0.00 C ATOM 345 C TYR A 102 5.422 -14.165 -4.470 1.00 0.00 C ATOM 346 O TYR A 102 4.616 -14.980 -4.008 1.00 0.00 O ATOM 347 CB TYR A 102 4.567 -12.081 -5.580 1.00 0.00 C ATOM 348 CG TYR A 102 4.184 -11.289 -6.819 1.00 0.00 C ATOM 349 CD1 TYR A 102 5.180 -10.644 -7.581 1.00 0.00 C ATOM 350 CD2 TYR A 102 2.831 -11.167 -7.188 1.00 0.00 C ATOM 351 CE1 TYR A 102 4.826 -9.877 -8.706 1.00 0.00 C ATOM 352 CE2 TYR A 102 2.472 -10.402 -8.317 1.00 0.00 C ATOM 353 CZ TYR A 102 3.468 -9.753 -9.077 1.00 0.00 C ATOM 354 OH TYR A 102 3.110 -8.999 -10.149 1.00 0.00 O ATOM 0 H TYR A 102 3.350 -13.856 -6.804 1.00 0.00 H new ATOM 0 HA TYR A 102 6.115 -13.376 -6.359 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.679 -12.196 -4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.284 -11.494 -5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.218 -10.739 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.067 -11.660 -6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.592 -9.383 -9.286 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.434 -10.313 -8.600 1.00 0.00 H new ATOM 0 HH TYR A 102 2.137 -9.027 -10.258 1.00 0.00 H new ATOM 364 N TYR A 103 6.495 -13.767 -3.788 1.00 0.00 N ATOM 365 CA TYR A 103 6.897 -14.252 -2.464 1.00 0.00 C ATOM 366 C TYR A 103 7.218 -13.064 -1.531 1.00 0.00 C ATOM 367 O TYR A 103 7.553 -11.980 -2.025 1.00 0.00 O ATOM 368 CB TYR A 103 8.131 -15.163 -2.608 1.00 0.00 C ATOM 369 CG TYR A 103 8.078 -16.211 -3.710 1.00 0.00 C ATOM 370 CD1 TYR A 103 7.046 -17.172 -3.739 1.00 0.00 C ATOM 371 CD2 TYR A 103 9.075 -16.228 -4.707 1.00 0.00 C ATOM 372 CE1 TYR A 103 6.994 -18.129 -4.773 1.00 0.00 C ATOM 373 CE2 TYR A 103 9.034 -17.191 -5.732 1.00 0.00 C ATOM 374 CZ TYR A 103 7.990 -18.135 -5.775 1.00 0.00 C ATOM 375 OH TYR A 103 7.964 -19.052 -6.779 1.00 0.00 O ATOM 0 H TYR A 103 7.138 -13.067 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 103 6.076 -14.820 -2.026 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.003 -14.532 -2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.290 -15.674 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.292 -17.175 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 103 9.872 -15.500 -4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.195 -18.855 -4.799 1.00 0.00 H new ATOM 0 HE2 TYR A 103 9.805 -17.206 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 103 7.036 -19.304 -6.968 1.00 0.00 H new ATOM 385 N PRO A 104 7.139 -13.231 -0.195 1.00 0.00 N ATOM 386 CA PRO A 104 7.482 -12.170 0.748 1.00 0.00 C ATOM 387 C PRO A 104 8.985 -11.850 0.719 1.00 0.00 C ATOM 388 O PRO A 104 9.839 -12.745 0.733 1.00 0.00 O ATOM 389 CB PRO A 104 7.019 -12.669 2.121 1.00 0.00 C ATOM 390 CG PRO A 104 7.059 -14.190 1.984 1.00 0.00 C ATOM 391 CD PRO A 104 6.691 -14.419 0.519 1.00 0.00 C ATOM 0 HA PRO A 104 6.992 -11.231 0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.677 -12.321 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.016 -12.314 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.046 -14.589 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.351 -14.674 2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.175 -15.315 0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.617 -14.562 0.404 1.00 0.00 H new ATOM 399 N ALA A 105 9.295 -10.555 0.711 1.00 0.00 N ATOM 400 CA ALA A 105 10.644 -9.999 0.654 1.00 0.00 C ATOM 401 C ALA A 105 10.731 -8.671 1.436 1.00 0.00 C ATOM 402 O ALA A 105 9.721 -8.139 1.910 1.00 0.00 O ATOM 403 CB ALA A 105 11.012 -9.827 -0.830 1.00 0.00 C ATOM 0 H ALA A 105 8.577 -9.831 0.746 1.00 0.00 H new ATOM 0 HA ALA A 105 11.358 -10.671 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.017 -9.412 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.979 -10.796 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.301 -9.151 -1.305 1.00 0.00 H new ATOM 409 N LYS A 106 11.942 -8.121 1.569 1.00 0.00 N ATOM 410 CA LYS A 106 12.224 -6.857 2.266 1.00 0.00 C ATOM 411 C LYS A 106 13.343 -6.094 1.557 1.00 0.00 C ATOM 412 O LYS A 106 14.375 -6.679 1.226 1.00 0.00 O ATOM 413 CB LYS A 106 12.615 -7.170 3.720 1.00 0.00 C ATOM 414 CG LYS A 106 12.676 -5.911 4.610 1.00 0.00 C ATOM 415 CD LYS A 106 13.685 -6.057 5.759 1.00 0.00 C ATOM 416 CE LYS A 106 15.114 -5.972 5.206 1.00 0.00 C ATOM 417 NZ LYS A 106 16.136 -6.091 6.272 1.00 0.00 N ATOM 0 H LYS A 106 12.781 -8.555 1.183 1.00 0.00 H new ATOM 0 HA LYS A 106 11.335 -6.226 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.895 -7.872 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.586 -7.664 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.947 -5.050 3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.687 -5.712 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.524 -5.273 6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.537 -7.010 6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 106 15.265 -6.763 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 106 15.244 -5.023 4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 17.078 -6.181 5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 16.110 -5.243 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.938 -6.932 6.851 1.00 0.00 H new ATOM 431 N ILE A 107 13.150 -4.797 1.331 1.00 0.00 N ATOM 432 CA ILE A 107 14.136 -3.920 0.683 1.00 0.00 C ATOM 433 C ILE A 107 15.330 -3.683 1.620 1.00 0.00 C ATOM 434 O ILE A 107 15.190 -3.122 2.706 1.00 0.00 O ATOM 435 CB ILE A 107 13.470 -2.605 0.213 1.00 0.00 C ATOM 436 CG1 ILE A 107 12.385 -2.936 -0.844 1.00 0.00 C ATOM 437 CG2 ILE A 107 14.511 -1.639 -0.377 1.00 0.00 C ATOM 438 CD1 ILE A 107 11.559 -1.739 -1.316 1.00 0.00 C ATOM 0 H ILE A 107 12.292 -4.313 1.595 1.00 0.00 H new ATOM 0 HA ILE A 107 14.524 -4.408 -0.211 1.00 0.00 H new ATOM 0 HB ILE A 107 13.011 -2.115 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 107 12.868 -3.389 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.710 -3.684 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 107 14.016 -0.723 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 107 15.257 -1.401 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.999 -2.108 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 107 10.828 -2.070 -2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 107 11.042 -1.296 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 107 12.218 -0.997 -1.766 1.00 0.00 H new ATOM 450 N GLU A 108 16.517 -4.112 1.194 1.00 0.00 N ATOM 451 CA GLU A 108 17.797 -3.866 1.872 1.00 0.00 C ATOM 452 C GLU A 108 18.396 -2.500 1.502 1.00 0.00 C ATOM 453 O GLU A 108 18.981 -1.830 2.357 1.00 0.00 O ATOM 454 CB GLU A 108 18.795 -4.965 1.467 1.00 0.00 C ATOM 455 CG GLU A 108 18.573 -6.276 2.226 1.00 0.00 C ATOM 456 CD GLU A 108 19.123 -6.187 3.664 1.00 0.00 C ATOM 457 OE1 GLU A 108 20.350 -6.358 3.863 1.00 0.00 O ATOM 458 OE2 GLU A 108 18.337 -5.917 4.603 1.00 0.00 O ATOM 0 H GLU A 108 16.622 -4.659 0.339 1.00 0.00 H new ATOM 0 HA GLU A 108 17.611 -3.874 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.709 -5.151 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.810 -4.613 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.508 -6.507 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.062 -7.093 1.696 1.00 0.00 H new ATOM 465 N ALA A 109 18.248 -2.082 0.239 1.00 0.00 N ATOM 466 CA ALA A 109 18.765 -0.816 -0.289 1.00 0.00 C ATOM 467 C ALA A 109 18.004 -0.351 -1.547 1.00 0.00 C ATOM 468 O ALA A 109 17.360 -1.142 -2.241 1.00 0.00 O ATOM 469 CB ALA A 109 20.265 -0.974 -0.592 1.00 0.00 C ATOM 0 H ALA A 109 17.751 -2.631 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 109 18.616 -0.045 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 109 20.657 -0.036 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.796 -1.234 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 109 20.406 -1.764 -1.330 1.00 0.00 H new ATOM 475 N ILE A 110 18.123 0.941 -1.859 1.00 0.00 N ATOM 476 CA ILE A 110 17.410 1.634 -2.945 1.00 0.00 C ATOM 477 C ILE A 110 18.421 2.416 -3.796 1.00 0.00 C ATOM 478 O ILE A 110 19.383 2.977 -3.263 1.00 0.00 O ATOM 479 CB ILE A 110 16.312 2.554 -2.346 1.00 0.00 C ATOM 480 CG1 ILE A 110 15.308 1.708 -1.520 1.00 0.00 C ATOM 481 CG2 ILE A 110 15.621 3.370 -3.458 1.00 0.00 C ATOM 482 CD1 ILE A 110 14.047 2.433 -1.038 1.00 0.00 C ATOM 0 H ILE A 110 18.744 1.563 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 110 16.913 0.914 -3.595 1.00 0.00 H new ATOM 0 HB ILE A 110 16.770 3.274 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.002 0.854 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 110 15.830 1.312 -0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 110 14.855 4.008 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 110 16.360 3.988 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 110 15.160 2.691 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.423 1.741 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 110 14.330 3.270 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.490 2.805 -1.898 1.00 0.00 H new ATOM 566 N PHE A 116 15.999 -1.951 -7.277 1.00 0.00 N ATOM 567 CA PHE A 116 15.924 -2.057 -5.815 1.00 0.00 C ATOM 568 C PHE A 116 16.616 -3.343 -5.343 1.00 0.00 C ATOM 569 O PHE A 116 16.539 -4.373 -6.015 1.00 0.00 O ATOM 570 CB PHE A 116 14.446 -2.065 -5.387 1.00 0.00 C ATOM 571 CG PHE A 116 13.664 -0.824 -5.780 1.00 0.00 C ATOM 572 CD1 PHE A 116 13.635 0.282 -4.913 1.00 0.00 C ATOM 573 CD2 PHE A 116 12.985 -0.759 -7.012 1.00 0.00 C ATOM 574 CE1 PHE A 116 12.945 1.452 -5.274 1.00 0.00 C ATOM 575 CE2 PHE A 116 12.294 0.412 -7.374 1.00 0.00 C ATOM 576 CZ PHE A 116 12.275 1.518 -6.508 1.00 0.00 C ATOM 0 HA PHE A 116 16.431 -1.205 -5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 116 13.960 -2.937 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 116 14.396 -2.181 -4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 116 14.146 0.232 -3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 116 12.995 -1.608 -7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.930 2.299 -4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 116 11.777 0.461 -8.321 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.747 2.417 -6.790 1.00 0.00 H new ATOM 586 N THR A 117 17.282 -3.303 -4.186 1.00 0.00 N ATOM 587 CA THR A 117 17.968 -4.468 -3.591 1.00 0.00 C ATOM 588 C THR A 117 17.063 -5.096 -2.538 1.00 0.00 C ATOM 589 O THR A 117 16.618 -4.404 -1.622 1.00 0.00 O ATOM 590 CB THR A 117 19.295 -4.059 -2.934 1.00 0.00 C ATOM 591 OG1 THR A 117 20.076 -3.292 -3.824 1.00 0.00 O ATOM 592 CG2 THR A 117 20.139 -5.269 -2.529 1.00 0.00 C ATOM 0 H THR A 117 17.365 -2.455 -3.625 1.00 0.00 H new ATOM 0 HA THR A 117 18.184 -5.182 -4.386 1.00 0.00 H new ATOM 0 HB THR A 117 19.025 -3.485 -2.047 1.00 0.00 H new ATOM 0 HG1 THR A 117 20.249 -3.810 -4.637 1.00 0.00 H new ATOM 0 HG21 THR A 117 21.067 -4.928 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.583 -5.878 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 117 20.369 -5.864 -3.413 1.00 0.00 H new ATOM 600 N VAL A 118 16.794 -6.398 -2.641 1.00 0.00 N ATOM 601 CA VAL A 118 15.776 -7.095 -1.839 1.00 0.00 C ATOM 602 C VAL A 118 16.271 -8.440 -1.309 1.00 0.00 C ATOM 603 O VAL A 118 16.800 -9.272 -2.049 1.00 0.00 O ATOM 604 CB VAL A 118 14.460 -7.297 -2.626 1.00 0.00 C ATOM 605 CG1 VAL A 118 13.596 -6.033 -2.603 1.00 0.00 C ATOM 606 CG2 VAL A 118 14.658 -7.699 -4.093 1.00 0.00 C ATOM 0 H VAL A 118 17.283 -7.012 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 118 15.577 -6.447 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 118 13.966 -8.122 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.679 -6.209 -3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.347 -5.781 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.146 -5.208 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.686 -7.820 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.223 -6.923 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.206 -8.640 -4.142 1.00 0.00 H new ATOM 616 N GLN A 119 16.072 -8.649 -0.005 1.00 0.00 N ATOM 617 CA GLN A 119 16.251 -9.928 0.677 1.00 0.00 C ATOM 618 C GLN A 119 14.932 -10.715 0.647 1.00 0.00 C ATOM 619 O GLN A 119 13.862 -10.137 0.845 1.00 0.00 O ATOM 620 CB GLN A 119 16.703 -9.661 2.125 1.00 0.00 C ATOM 621 CG GLN A 119 16.940 -10.954 2.925 1.00 0.00 C ATOM 622 CD GLN A 119 17.519 -10.705 4.318 1.00 0.00 C ATOM 623 OE1 GLN A 119 18.373 -9.855 4.539 1.00 0.00 O ATOM 624 NE2 GLN A 119 17.076 -11.434 5.322 1.00 0.00 N ATOM 0 H GLN A 119 15.771 -7.905 0.624 1.00 0.00 H new ATOM 0 HA GLN A 119 17.013 -10.523 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 119 17.622 -9.074 2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 119 15.948 -9.059 2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 119 15.997 -11.491 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 119 17.619 -11.599 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 119 16.365 -12.147 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 119 17.444 -11.285 6.262 1.00 0.00 H new ATOM 633 N PHE A 120 15.006 -12.030 0.451 1.00 0.00 N ATOM 634 CA PHE A 120 13.854 -12.942 0.458 1.00 0.00 C ATOM 635 C PHE A 120 13.850 -13.832 1.711 1.00 0.00 C ATOM 636 O PHE A 120 14.831 -13.889 2.456 1.00 0.00 O ATOM 637 CB PHE A 120 13.850 -13.761 -0.845 1.00 0.00 C ATOM 638 CG PHE A 120 13.198 -13.045 -2.015 1.00 0.00 C ATOM 639 CD1 PHE A 120 13.794 -11.899 -2.578 1.00 0.00 C ATOM 640 CD2 PHE A 120 11.982 -13.526 -2.542 1.00 0.00 C ATOM 641 CE1 PHE A 120 13.185 -11.247 -3.664 1.00 0.00 C ATOM 642 CE2 PHE A 120 11.384 -12.882 -3.640 1.00 0.00 C ATOM 643 CZ PHE A 120 11.995 -11.754 -4.211 1.00 0.00 C ATOM 0 H PHE A 120 15.891 -12.508 0.278 1.00 0.00 H new ATOM 0 HA PHE A 120 12.932 -12.362 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 120 14.877 -14.010 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.329 -14.702 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 120 14.721 -11.521 -2.174 1.00 0.00 H new ATOM 0 HD2 PHE A 120 11.509 -14.391 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 120 13.632 -10.356 -4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 120 10.455 -13.255 -4.044 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.550 -11.276 -5.071 1.00 0.00 H new ATOM 653 N TYR A 121 12.736 -14.530 1.957 1.00 0.00 N ATOM 654 CA TYR A 121 12.511 -15.352 3.156 1.00 0.00 C ATOM 655 C TYR A 121 13.545 -16.479 3.389 1.00 0.00 C ATOM 656 O TYR A 121 13.738 -16.908 4.529 1.00 0.00 O ATOM 657 CB TYR A 121 11.078 -15.905 3.122 1.00 0.00 C ATOM 658 CG TYR A 121 10.817 -16.949 2.047 1.00 0.00 C ATOM 659 CD1 TYR A 121 10.406 -16.559 0.755 1.00 0.00 C ATOM 660 CD2 TYR A 121 10.999 -18.315 2.344 1.00 0.00 C ATOM 661 CE1 TYR A 121 10.198 -17.534 -0.240 1.00 0.00 C ATOM 662 CE2 TYR A 121 10.782 -19.291 1.353 1.00 0.00 C ATOM 663 CZ TYR A 121 10.384 -18.901 0.056 1.00 0.00 C ATOM 664 OH TYR A 121 10.168 -19.838 -0.907 1.00 0.00 O ATOM 0 H TYR A 121 11.945 -14.541 1.313 1.00 0.00 H new ATOM 0 HA TYR A 121 12.650 -14.692 4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.850 -16.342 4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.387 -15.074 2.976 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.251 -15.514 0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.306 -18.614 3.335 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.895 -17.234 -1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.920 -20.337 1.585 1.00 0.00 H new ATOM 0 HH TYR A 121 10.342 -20.730 -0.540 1.00 0.00 H new ATOM 674 N ASP A 122 14.244 -16.940 2.344 1.00 0.00 N ATOM 675 CA ASP A 122 15.369 -17.889 2.445 1.00 0.00 C ATOM 676 C ASP A 122 16.670 -17.266 3.007 1.00 0.00 C ATOM 677 O ASP A 122 17.606 -17.993 3.352 1.00 0.00 O ATOM 678 CB ASP A 122 15.654 -18.491 1.059 1.00 0.00 C ATOM 679 CG ASP A 122 14.571 -19.479 0.600 1.00 0.00 C ATOM 680 OD1 ASP A 122 14.359 -20.509 1.285 1.00 0.00 O ATOM 681 OD2 ASP A 122 13.969 -19.255 -0.476 1.00 0.00 O ATOM 0 H ASP A 122 14.042 -16.660 1.384 1.00 0.00 H new ATOM 0 HA ASP A 122 15.061 -18.656 3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.736 -17.686 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.617 -19.001 1.081 1.00 0.00 H new ATOM 686 N GLY A 123 16.755 -15.933 3.081 1.00 0.00 N ATOM 687 CA GLY A 123 17.931 -15.164 3.520 1.00 0.00 C ATOM 688 C GLY A 123 18.808 -14.640 2.371 1.00 0.00 C ATOM 689 O GLY A 123 19.652 -13.769 2.590 1.00 0.00 O ATOM 0 H GLY A 123 15.972 -15.331 2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.595 -14.318 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.540 -15.793 4.169 1.00 0.00 H new ATOM 693 N VAL A 124 18.610 -15.151 1.150 1.00 0.00 N ATOM 694 CA VAL A 124 19.278 -14.707 -0.089 1.00 0.00 C ATOM 695 C VAL A 124 18.907 -13.261 -0.463 1.00 0.00 C ATOM 696 O VAL A 124 17.814 -12.791 -0.136 1.00 0.00 O ATOM 697 CB VAL A 124 18.966 -15.705 -1.227 1.00 0.00 C ATOM 698 CG1 VAL A 124 17.494 -15.690 -1.661 1.00 0.00 C ATOM 699 CG2 VAL A 124 19.864 -15.498 -2.451 1.00 0.00 C ATOM 0 H VAL A 124 17.955 -15.916 0.987 1.00 0.00 H new ATOM 0 HA VAL A 124 20.355 -14.699 0.079 1.00 0.00 H new ATOM 0 HB VAL A 124 19.178 -16.685 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.344 -16.413 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.862 -15.952 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 124 17.230 -14.694 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 124 19.603 -16.225 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 124 19.722 -14.490 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 124 20.907 -15.632 -2.164 1.00 0.00 H new ATOM 709 N ILE A 125 19.809 -12.556 -1.161 1.00 0.00 N ATOM 710 CA ILE A 125 19.687 -11.132 -1.526 1.00 0.00 C ATOM 711 C ILE A 125 20.136 -10.922 -2.982 1.00 0.00 C ATOM 712 O ILE A 125 21.232 -11.349 -3.357 1.00 0.00 O ATOM 713 CB ILE A 125 20.527 -10.229 -0.582 1.00 0.00 C ATOM 714 CG1 ILE A 125 20.341 -10.595 0.909 1.00 0.00 C ATOM 715 CG2 ILE A 125 20.168 -8.749 -0.829 1.00 0.00 C ATOM 716 CD1 ILE A 125 21.133 -9.729 1.892 1.00 0.00 C ATOM 0 H ILE A 125 20.675 -12.974 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 125 18.640 -10.849 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 125 21.579 -10.395 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 125 19.282 -10.522 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 125 20.631 -11.636 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 125 20.758 -8.116 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 125 20.384 -8.490 -1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 125 19.108 -8.594 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 125 20.937 -10.063 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 125 22.198 -9.819 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 125 20.829 -8.688 1.786 1.00 0.00 H new ATOM 728 N ARG A 126 19.314 -10.237 -3.791 1.00 0.00 N ATOM 729 CA ARG A 126 19.623 -9.787 -5.169 1.00 0.00 C ATOM 730 C ARG A 126 18.943 -8.449 -5.490 1.00 0.00 C ATOM 731 O ARG A 126 18.052 -8.000 -4.765 1.00 0.00 O ATOM 732 CB ARG A 126 19.185 -10.837 -6.206 1.00 0.00 C ATOM 733 CG ARG A 126 20.155 -12.022 -6.252 1.00 0.00 C ATOM 734 CD ARG A 126 19.980 -12.839 -7.527 1.00 0.00 C ATOM 735 NE ARG A 126 18.667 -13.513 -7.594 1.00 0.00 N ATOM 736 CZ ARG A 126 18.158 -14.149 -8.634 1.00 0.00 C ATOM 737 NH1 ARG A 126 18.811 -14.285 -9.754 1.00 0.00 N ATOM 738 NH2 ARG A 126 16.966 -14.666 -8.568 1.00 0.00 N ATOM 0 H ARG A 126 18.375 -9.967 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 126 20.704 -9.655 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 126 18.184 -11.194 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 126 19.128 -10.374 -7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 126 21.180 -11.657 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 126 19.992 -12.661 -5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 126 20.093 -12.185 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 126 20.771 -13.586 -7.587 1.00 0.00 H new ATOM 0 HE ARG A 126 18.095 -13.484 -6.750 1.00 0.00 H new ATOM 0 HH11 ARG A 126 19.748 -13.894 -9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.385 -14.783 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.420 -14.581 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.577 -15.156 -9.374 1.00 0.00 H new ATOM 752 N CYS A 127 19.342 -7.820 -6.594 1.00 0.00 N ATOM 753 CA CYS A 127 18.620 -6.681 -7.167 1.00 0.00 C ATOM 754 C CYS A 127 17.446 -7.173 -8.036 1.00 0.00 C ATOM 755 O CYS A 127 17.568 -8.184 -8.734 1.00 0.00 O ATOM 756 CB CYS A 127 19.585 -5.826 -8.000 1.00 0.00 C ATOM 757 SG CYS A 127 20.872 -5.114 -6.931 1.00 0.00 S ATOM 0 H CYS A 127 20.176 -8.085 -7.119 1.00 0.00 H new ATOM 0 HA CYS A 127 18.214 -6.072 -6.359 1.00 0.00 H new ATOM 0 HB2 CYS A 127 20.044 -6.436 -8.778 1.00 0.00 H new ATOM 0 HB3 CYS A 127 19.036 -5.029 -8.502 1.00 0.00 H new ATOM 0 HG CYS A 127 21.683 -4.395 -7.648 1.00 0.00 H new ATOM 763 N LEU A 128 16.337 -6.429 -8.047 1.00 0.00 N ATOM 764 CA LEU A 128 15.174 -6.643 -8.918 1.00 0.00 C ATOM 765 C LEU A 128 14.620 -5.309 -9.446 1.00 0.00 C ATOM 766 O LEU A 128 14.823 -4.242 -8.856 1.00 0.00 O ATOM 767 CB LEU A 128 14.068 -7.421 -8.166 1.00 0.00 C ATOM 768 CG LEU A 128 14.309 -8.928 -7.951 1.00 0.00 C ATOM 769 CD1 LEU A 128 13.103 -9.526 -7.226 1.00 0.00 C ATOM 770 CD2 LEU A 128 14.469 -9.703 -9.262 1.00 0.00 C ATOM 0 H LEU A 128 16.218 -5.629 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 128 15.503 -7.235 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 128 13.928 -6.956 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 128 13.134 -7.300 -8.714 1.00 0.00 H new ATOM 0 HG LEU A 128 15.232 -9.016 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 128 13.265 -10.593 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.977 -9.033 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.207 -9.380 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 128 14.636 -10.758 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 128 13.565 -9.595 -9.861 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.320 -9.308 -9.816 1.00 0.00 H new ATOM 782 N LYS A 129 13.907 -5.388 -10.575 1.00 0.00 N ATOM 783 CA LYS A 129 13.198 -4.263 -11.203 1.00 0.00 C ATOM 784 C LYS A 129 11.844 -4.019 -10.536 1.00 0.00 C ATOM 785 O LYS A 129 11.212 -4.952 -10.041 1.00 0.00 O ATOM 786 CB LYS A 129 12.979 -4.557 -12.699 1.00 0.00 C ATOM 787 CG LYS A 129 14.295 -4.699 -13.481 1.00 0.00 C ATOM 788 CD LYS A 129 14.064 -4.887 -14.991 1.00 0.00 C ATOM 789 CE LYS A 129 13.269 -6.150 -15.363 1.00 0.00 C ATOM 790 NZ LYS A 129 14.000 -7.398 -15.020 1.00 0.00 N ATOM 0 H LYS A 129 13.803 -6.260 -11.093 1.00 0.00 H new ATOM 0 HA LYS A 129 13.810 -3.369 -11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.400 -5.475 -12.803 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.386 -3.755 -13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.909 -3.813 -13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.855 -5.550 -13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.536 -4.014 -15.376 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.031 -4.921 -15.492 1.00 0.00 H new ATOM 0 HE2 LYS A 129 12.310 -6.139 -14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.054 -6.140 -16.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 13.425 -8.222 -15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.904 -7.423 -15.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.183 -7.423 -13.997 1.00 0.00 H new ATOM 804 N ARG A 130 11.327 -2.789 -10.634 1.00 0.00 N ATOM 805 CA ARG A 130 9.957 -2.420 -10.248 1.00 0.00 C ATOM 806 C ARG A 130 8.878 -3.249 -10.963 1.00 0.00 C ATOM 807 O ARG A 130 7.830 -3.523 -10.386 1.00 0.00 O ATOM 808 CB ARG A 130 9.807 -0.917 -10.516 1.00 0.00 C ATOM 809 CG ARG A 130 8.462 -0.380 -10.034 1.00 0.00 C ATOM 810 CD ARG A 130 8.398 1.147 -10.168 1.00 0.00 C ATOM 811 NE ARG A 130 7.060 1.668 -9.821 1.00 0.00 N ATOM 812 CZ ARG A 130 6.010 1.763 -10.620 1.00 0.00 C ATOM 813 NH1 ARG A 130 6.042 1.392 -11.870 1.00 0.00 N ATOM 814 NH2 ARG A 130 4.884 2.240 -10.169 1.00 0.00 N ATOM 0 H ARG A 130 11.864 -2.000 -10.994 1.00 0.00 H new ATOM 0 HA ARG A 130 9.803 -2.642 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 130 10.612 -0.378 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 130 9.911 -0.727 -11.584 1.00 0.00 H new ATOM 0 HG2 ARG A 130 7.657 -0.833 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.305 -0.664 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 130 9.146 1.601 -9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.647 1.434 -11.190 1.00 0.00 H new ATOM 0 HE ARG A 130 6.932 1.989 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 130 6.901 1.011 -12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 130 5.208 1.483 -12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 130 4.811 2.541 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 130 4.076 2.312 -10.788 1.00 0.00 H new ATOM 828 N MET A 131 9.161 -3.716 -12.181 1.00 0.00 N ATOM 829 CA MET A 131 8.341 -4.666 -12.948 1.00 0.00 C ATOM 830 C MET A 131 8.113 -6.024 -12.238 1.00 0.00 C ATOM 831 O MET A 131 7.210 -6.777 -12.609 1.00 0.00 O ATOM 832 CB MET A 131 9.016 -4.846 -14.319 1.00 0.00 C ATOM 833 CG MET A 131 8.101 -5.498 -15.357 1.00 0.00 C ATOM 834 SD MET A 131 8.820 -5.592 -17.018 1.00 0.00 S ATOM 835 CE MET A 131 7.390 -6.240 -17.922 1.00 0.00 C ATOM 0 H MET A 131 10.002 -3.433 -12.684 1.00 0.00 H new ATOM 0 HA MET A 131 7.337 -4.255 -13.053 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.339 -3.873 -14.689 1.00 0.00 H new ATOM 0 HB3 MET A 131 9.912 -5.455 -14.199 1.00 0.00 H new ATOM 0 HG2 MET A 131 7.850 -6.505 -15.023 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.168 -4.937 -15.407 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.650 -6.364 -18.973 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.102 -7.204 -17.504 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.557 -5.542 -17.834 1.00 0.00 H new ATOM 845 N HIS A 132 8.894 -6.324 -11.193 1.00 0.00 N ATOM 846 CA HIS A 132 8.931 -7.608 -10.472 1.00 0.00 C ATOM 847 C HIS A 132 8.828 -7.438 -8.943 1.00 0.00 C ATOM 848 O HIS A 132 9.107 -8.379 -8.197 1.00 0.00 O ATOM 849 CB HIS A 132 10.197 -8.373 -10.902 1.00 0.00 C ATOM 850 CG HIS A 132 10.201 -8.707 -12.376 1.00 0.00 C ATOM 851 ND1 HIS A 132 10.902 -8.021 -13.376 1.00 0.00 N ATOM 852 CD2 HIS A 132 9.433 -9.672 -12.960 1.00 0.00 C ATOM 853 CE1 HIS A 132 10.526 -8.585 -14.539 1.00 0.00 C ATOM 854 NE2 HIS A 132 9.655 -9.583 -14.317 1.00 0.00 N ATOM 0 H HIS A 132 9.551 -5.646 -10.806 1.00 0.00 H new ATOM 0 HA HIS A 132 8.051 -8.193 -10.741 1.00 0.00 H new ATOM 0 HB2 HIS A 132 11.077 -7.774 -10.666 1.00 0.00 H new ATOM 0 HB3 HIS A 132 10.274 -9.294 -10.324 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.779 -10.369 -12.457 1.00 0.00 H new ATOM 0 HE1 HIS A 132 10.876 -8.278 -15.514 1.00 0.00 H new ATOM 0 HE2 HIS A 132 9.230 -10.174 -15.031 1.00 0.00 H new ATOM 862 N ILE A 133 8.393 -6.257 -8.482 1.00 0.00 N ATOM 863 CA ILE A 133 8.162 -5.893 -7.072 1.00 0.00 C ATOM 864 C ILE A 133 6.783 -5.214 -6.953 1.00 0.00 C ATOM 865 O ILE A 133 6.372 -4.445 -7.825 1.00 0.00 O ATOM 866 CB ILE A 133 9.286 -4.963 -6.539 1.00 0.00 C ATOM 867 CG1 ILE A 133 10.691 -5.600 -6.676 1.00 0.00 C ATOM 868 CG2 ILE A 133 9.034 -4.582 -5.063 1.00 0.00 C ATOM 869 CD1 ILE A 133 11.839 -4.630 -6.366 1.00 0.00 C ATOM 0 H ILE A 133 8.180 -5.486 -9.115 1.00 0.00 H new ATOM 0 HA ILE A 133 8.178 -6.796 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 133 9.262 -4.064 -7.155 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.759 -6.456 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 133 10.811 -5.979 -7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.835 -3.931 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 133 8.080 -4.061 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 133 9.009 -5.485 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 133 12.792 -5.145 -6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 133 11.797 -3.785 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 133 11.744 -4.270 -5.342 1.00 0.00 H new ATOM 881 N LYS A 134 6.075 -5.483 -5.856 1.00 0.00 N ATOM 882 CA LYS A 134 4.736 -4.985 -5.519 1.00 0.00 C ATOM 883 C LYS A 134 4.686 -4.567 -4.047 1.00 0.00 C ATOM 884 O LYS A 134 5.349 -5.155 -3.189 1.00 0.00 O ATOM 885 CB LYS A 134 3.700 -6.102 -5.753 1.00 0.00 C ATOM 886 CG LYS A 134 3.522 -6.564 -7.211 1.00 0.00 C ATOM 887 CD LYS A 134 2.676 -5.599 -8.055 1.00 0.00 C ATOM 888 CE LYS A 134 1.188 -5.621 -7.663 1.00 0.00 C ATOM 889 NZ LYS A 134 0.504 -6.853 -8.141 1.00 0.00 N ATOM 0 H LYS A 134 6.444 -6.096 -5.129 1.00 0.00 H new ATOM 0 HA LYS A 134 4.510 -4.125 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.984 -6.965 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.735 -5.758 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.503 -6.674 -7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.054 -7.548 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.063 -4.587 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.775 -5.861 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 134 1.098 -5.554 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 134 0.690 -4.745 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.500 -6.820 -7.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 0.582 -6.914 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 0.951 -7.688 -7.710 1.00 0.00 H new ATOM 903 N ALA A 135 3.855 -3.574 -3.751 1.00 0.00 N ATOM 904 CA ALA A 135 3.528 -3.187 -2.381 1.00 0.00 C ATOM 905 C ALA A 135 2.701 -4.283 -1.676 1.00 0.00 C ATOM 906 O ALA A 135 1.999 -5.071 -2.321 1.00 0.00 O ATOM 907 CB ALA A 135 2.775 -1.852 -2.420 1.00 0.00 C ATOM 0 H ALA A 135 3.385 -3.010 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 135 4.444 -3.068 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.522 -1.547 -1.405 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.406 -1.092 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.861 -1.967 -3.002 1.00 0.00 H new ATOM 913 N MET A 136 2.754 -4.313 -0.343 1.00 0.00 N ATOM 914 CA MET A 136 1.882 -5.171 0.470 1.00 0.00 C ATOM 915 C MET A 136 0.393 -4.775 0.330 1.00 0.00 C ATOM 916 O MET A 136 0.090 -3.580 0.203 1.00 0.00 O ATOM 917 CB MET A 136 2.311 -5.100 1.945 1.00 0.00 C ATOM 918 CG MET A 136 3.516 -5.994 2.253 1.00 0.00 C ATOM 919 SD MET A 136 3.197 -7.771 2.059 1.00 0.00 S ATOM 920 CE MET A 136 4.814 -8.424 2.537 1.00 0.00 C ATOM 0 H MET A 136 3.400 -3.745 0.205 1.00 0.00 H new ATOM 0 HA MET A 136 1.986 -6.193 0.106 1.00 0.00 H new ATOM 0 HB2 MET A 136 2.555 -4.068 2.199 1.00 0.00 H new ATOM 0 HB3 MET A 136 1.474 -5.395 2.577 1.00 0.00 H new ATOM 0 HG2 MET A 136 4.340 -5.711 1.598 1.00 0.00 H new ATOM 0 HG3 MET A 136 3.842 -5.805 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 136 4.800 -9.512 2.476 1.00 0.00 H new ATOM 0 HE2 MET A 136 5.578 -8.033 1.865 1.00 0.00 H new ATOM 0 HE3 MET A 136 5.041 -8.121 3.559 1.00 0.00 H new