USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=8 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 Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot -169:sc= 1.2 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot 180:sc=0.000641 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= -0.0133 K(o=-0.013,f=-0.53) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -160:sc= 0 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 87 7.982 3.474 -1.237 1.00 0.00 N ATOM 101 CA PHE A 87 8.797 2.414 -0.628 1.00 0.00 C ATOM 102 C PHE A 87 9.961 3.011 0.191 1.00 0.00 C ATOM 103 O PHE A 87 10.429 4.124 -0.079 1.00 0.00 O ATOM 104 CB PHE A 87 9.346 1.484 -1.728 1.00 0.00 C ATOM 105 CG PHE A 87 8.388 0.503 -2.397 1.00 0.00 C ATOM 106 CD1 PHE A 87 7.014 0.430 -2.076 1.00 0.00 C ATOM 107 CD2 PHE A 87 8.913 -0.389 -3.352 1.00 0.00 C ATOM 108 CE1 PHE A 87 6.187 -0.524 -2.700 1.00 0.00 C ATOM 109 CE2 PHE A 87 8.088 -1.341 -3.975 1.00 0.00 C ATOM 110 CZ PHE A 87 6.724 -1.413 -3.647 1.00 0.00 C ATOM 0 HA PHE A 87 8.166 1.840 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 87 9.776 2.112 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.164 0.907 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.596 1.109 -1.348 1.00 0.00 H new ATOM 0 HD2 PHE A 87 9.961 -0.341 -3.608 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.137 -0.573 -2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.503 -2.018 -4.707 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.091 -2.148 -4.121 1.00 0.00 H new ATOM 120 N LYS A 88 10.467 2.242 1.164 1.00 0.00 N ATOM 121 CA LYS A 88 11.634 2.574 2.003 1.00 0.00 C ATOM 122 C LYS A 88 12.459 1.325 2.336 1.00 0.00 C ATOM 123 O LYS A 88 11.917 0.221 2.412 1.00 0.00 O ATOM 124 CB LYS A 88 11.154 3.303 3.273 1.00 0.00 C ATOM 125 CG LYS A 88 10.265 2.438 4.183 1.00 0.00 C ATOM 126 CD LYS A 88 9.607 3.282 5.277 1.00 0.00 C ATOM 127 CE LYS A 88 8.765 2.388 6.191 1.00 0.00 C ATOM 128 NZ LYS A 88 8.115 3.164 7.278 1.00 0.00 N ATOM 0 H LYS A 88 10.062 1.336 1.400 1.00 0.00 H new ATOM 0 HA LYS A 88 12.296 3.239 1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.023 3.637 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.601 4.196 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.496 1.948 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.864 1.650 4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.371 3.796 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.979 4.051 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.002 1.881 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.398 1.614 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.554 2.523 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.844 3.627 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.491 3.886 6.864 1.00 0.00 H new ATOM 142 N ALA A 89 13.764 1.491 2.554 1.00 0.00 N ATOM 143 CA ALA A 89 14.624 0.410 3.038 1.00 0.00 C ATOM 144 C ALA A 89 14.167 -0.077 4.432 1.00 0.00 C ATOM 145 O ALA A 89 13.771 0.721 5.287 1.00 0.00 O ATOM 146 CB ALA A 89 16.080 0.893 3.043 1.00 0.00 C ATOM 0 H ALA A 89 14.253 2.373 2.401 1.00 0.00 H new ATOM 0 HA ALA A 89 14.547 -0.448 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.727 0.093 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 89 16.375 1.171 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.174 1.758 3.699 1.00 0.00 H new ATOM 152 N GLY A 90 14.200 -1.392 4.649 1.00 0.00 N ATOM 153 CA GLY A 90 13.711 -2.064 5.858 1.00 0.00 C ATOM 154 C GLY A 90 12.247 -2.529 5.778 1.00 0.00 C ATOM 155 O GLY A 90 11.843 -3.393 6.557 1.00 0.00 O ATOM 0 H GLY A 90 14.582 -2.044 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.344 -2.928 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 90 13.818 -1.386 6.705 1.00 0.00 H new ATOM 159 N GLU A 91 11.455 -1.990 4.847 1.00 0.00 N ATOM 160 CA GLU A 91 10.058 -2.387 4.613 1.00 0.00 C ATOM 161 C GLU A 91 9.962 -3.775 3.951 1.00 0.00 C ATOM 162 O GLU A 91 10.808 -4.142 3.128 1.00 0.00 O ATOM 163 CB GLU A 91 9.390 -1.324 3.720 1.00 0.00 C ATOM 164 CG GLU A 91 7.853 -1.321 3.723 1.00 0.00 C ATOM 165 CD GLU A 91 7.228 -0.654 4.967 1.00 0.00 C ATOM 166 OE1 GLU A 91 7.833 -0.665 6.067 1.00 0.00 O ATOM 167 OE2 GLU A 91 6.118 -0.081 4.842 1.00 0.00 O ATOM 0 H GLU A 91 11.771 -1.250 4.220 1.00 0.00 H new ATOM 0 HA GLU A 91 9.546 -2.454 5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.737 -0.340 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.733 -1.469 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.499 -0.805 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.498 -2.349 3.658 1.00 0.00 H new ATOM 174 N GLU A 92 8.910 -4.534 4.266 1.00 0.00 N ATOM 175 CA GLU A 92 8.574 -5.787 3.583 1.00 0.00 C ATOM 176 C GLU A 92 7.572 -5.571 2.433 1.00 0.00 C ATOM 177 O GLU A 92 6.631 -4.777 2.525 1.00 0.00 O ATOM 178 CB GLU A 92 8.106 -6.876 4.562 1.00 0.00 C ATOM 179 CG GLU A 92 6.815 -6.599 5.344 1.00 0.00 C ATOM 180 CD GLU A 92 7.028 -5.618 6.512 1.00 0.00 C ATOM 181 OE1 GLU A 92 6.895 -4.387 6.309 1.00 0.00 O ATOM 182 OE2 GLU A 92 7.327 -6.076 7.642 1.00 0.00 O ATOM 0 H GLU A 92 8.258 -4.293 5.013 1.00 0.00 H new ATOM 0 HA GLU A 92 9.496 -6.151 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.971 -7.801 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.906 -7.053 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.064 -6.193 4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.421 -7.539 5.731 1.00 0.00 H new ATOM 189 N VAL A 93 7.785 -6.303 1.341 1.00 0.00 N ATOM 190 CA VAL A 93 7.061 -6.212 0.063 1.00 0.00 C ATOM 191 C VAL A 93 6.934 -7.596 -0.580 1.00 0.00 C ATOM 192 O VAL A 93 7.599 -8.552 -0.172 1.00 0.00 O ATOM 193 CB VAL A 93 7.764 -5.238 -0.913 1.00 0.00 C ATOM 194 CG1 VAL A 93 7.656 -3.787 -0.429 1.00 0.00 C ATOM 195 CG2 VAL A 93 9.238 -5.581 -1.171 1.00 0.00 C ATOM 0 H VAL A 93 8.510 -7.020 1.318 1.00 0.00 H new ATOM 0 HA VAL A 93 6.064 -5.824 0.273 1.00 0.00 H new ATOM 0 HB VAL A 93 7.235 -5.352 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 93 8.160 -3.129 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.606 -3.505 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.126 -3.694 0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.664 -4.856 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.788 -5.552 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.309 -6.580 -1.602 1.00 0.00 H new ATOM 205 N LEU A 94 6.080 -7.712 -1.593 1.00 0.00 N ATOM 206 CA LEU A 94 5.969 -8.904 -2.433 1.00 0.00 C ATOM 207 C LEU A 94 6.861 -8.730 -3.669 1.00 0.00 C ATOM 208 O LEU A 94 6.879 -7.655 -4.268 1.00 0.00 O ATOM 209 CB LEU A 94 4.496 -9.071 -2.848 1.00 0.00 C ATOM 210 CG LEU A 94 3.511 -9.332 -1.696 1.00 0.00 C ATOM 211 CD1 LEU A 94 2.096 -9.416 -2.269 1.00 0.00 C ATOM 212 CD2 LEU A 94 3.815 -10.637 -0.955 1.00 0.00 C ATOM 0 H LEU A 94 5.434 -6.969 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 94 6.293 -9.792 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.181 -8.171 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.427 -9.897 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 94 3.607 -8.512 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.387 -9.601 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.847 -8.477 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.044 -10.230 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.092 -10.776 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.750 -11.474 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.820 -10.591 -0.535 1.00 0.00 H new ATOM 224 N ALA A 95 7.588 -9.768 -4.079 1.00 0.00 N ATOM 225 CA ALA A 95 8.436 -9.718 -5.271 1.00 0.00 C ATOM 226 C ALA A 95 8.539 -11.080 -5.977 1.00 0.00 C ATOM 227 O ALA A 95 8.362 -12.137 -5.364 1.00 0.00 O ATOM 228 CB ALA A 95 9.809 -9.166 -4.863 1.00 0.00 C ATOM 0 H ALA A 95 7.607 -10.666 -3.596 1.00 0.00 H new ATOM 0 HA ALA A 95 7.983 -9.054 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.457 -9.120 -5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.690 -8.166 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.256 -9.820 -4.114 1.00 0.00 H new ATOM 234 N ARG A 96 8.792 -11.056 -7.289 1.00 0.00 N ATOM 235 CA ARG A 96 8.904 -12.250 -8.146 1.00 0.00 C ATOM 236 C ARG A 96 10.310 -12.863 -8.055 1.00 0.00 C ATOM 237 O ARG A 96 11.291 -12.135 -7.897 1.00 0.00 O ATOM 238 CB ARG A 96 8.515 -11.838 -9.580 1.00 0.00 C ATOM 239 CG ARG A 96 8.367 -13.024 -10.544 1.00 0.00 C ATOM 240 CD ARG A 96 9.638 -13.271 -11.365 1.00 0.00 C ATOM 241 NE ARG A 96 9.576 -14.562 -12.069 1.00 0.00 N ATOM 242 CZ ARG A 96 10.503 -15.053 -12.871 1.00 0.00 C ATOM 243 NH1 ARG A 96 11.607 -14.412 -13.130 1.00 0.00 N ATOM 244 NH2 ARG A 96 10.339 -16.211 -13.440 1.00 0.00 N ATOM 0 H ARG A 96 8.929 -10.185 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 96 8.225 -13.035 -7.811 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.575 -11.288 -9.548 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.270 -11.156 -9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.124 -13.922 -9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.532 -12.838 -11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.769 -12.466 -12.088 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.507 -13.254 -10.708 1.00 0.00 H new ATOM 0 HE ARG A 96 8.741 -15.129 -11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.778 -13.499 -12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.301 -14.823 -13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.489 -16.748 -13.268 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.060 -16.582 -14.058 1.00 0.00 H new ATOM 258 N TRP A 97 10.415 -14.192 -8.190 1.00 0.00 N ATOM 259 CA TRP A 97 11.698 -14.912 -8.051 1.00 0.00 C ATOM 260 C TRP A 97 11.902 -16.098 -9.011 1.00 0.00 C ATOM 261 O TRP A 97 12.985 -16.225 -9.589 1.00 0.00 O ATOM 262 CB TRP A 97 11.841 -15.377 -6.595 1.00 0.00 C ATOM 263 CG TRP A 97 13.239 -15.711 -6.171 1.00 0.00 C ATOM 264 CD1 TRP A 97 13.725 -16.947 -5.917 1.00 0.00 C ATOM 265 CD2 TRP A 97 14.340 -14.790 -5.901 1.00 0.00 C ATOM 266 NE1 TRP A 97 15.041 -16.856 -5.502 1.00 0.00 N ATOM 267 CE2 TRP A 97 15.459 -15.544 -5.433 1.00 0.00 C ATOM 268 CE3 TRP A 97 14.500 -13.390 -5.985 1.00 0.00 C ATOM 269 CZ2 TRP A 97 16.648 -14.929 -5.011 1.00 0.00 C ATOM 270 CZ3 TRP A 97 15.676 -12.765 -5.528 1.00 0.00 C ATOM 271 CH2 TRP A 97 16.733 -13.532 -5.009 1.00 0.00 C ATOM 0 H TRP A 97 9.622 -14.799 -8.397 1.00 0.00 H new ATOM 0 HA TRP A 97 12.476 -14.202 -8.331 1.00 0.00 H new ATOM 0 HB2 TRP A 97 11.456 -14.595 -5.940 1.00 0.00 H new ATOM 0 HB3 TRP A 97 11.213 -16.255 -6.447 1.00 0.00 H new ATOM 0 HD1 TRP A 97 13.169 -17.867 -6.022 1.00 0.00 H new ATOM 0 HE1 TRP A 97 15.628 -17.658 -5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 97 13.708 -12.789 -6.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 17.488 -15.527 -4.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 15.766 -11.690 -5.577 1.00 0.00 H new ATOM 0 HH2 TRP A 97 17.610 -13.044 -4.609 1.00 0.00 H new ATOM 282 N THR A 98 10.876 -16.936 -9.231 1.00 0.00 N ATOM 283 CA THR A 98 11.016 -18.228 -9.951 1.00 0.00 C ATOM 284 C THR A 98 9.922 -18.479 -10.997 1.00 0.00 C ATOM 285 O THR A 98 10.166 -19.139 -12.007 1.00 0.00 O ATOM 286 CB THR A 98 11.013 -19.400 -8.943 1.00 0.00 C ATOM 287 OG1 THR A 98 11.945 -19.179 -7.904 1.00 0.00 O ATOM 288 CG2 THR A 98 11.392 -20.748 -9.560 1.00 0.00 C ATOM 0 H THR A 98 9.924 -16.744 -8.918 1.00 0.00 H new ATOM 0 HA THR A 98 11.965 -18.167 -10.484 1.00 0.00 H new ATOM 0 HB THR A 98 9.985 -19.438 -8.581 1.00 0.00 H new ATOM 0 HG1 THR A 98 11.923 -19.933 -7.279 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.367 -21.520 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.683 -20.999 -10.349 1.00 0.00 H new ATOM 0 HG23 THR A 98 12.396 -20.686 -9.980 1.00 0.00 H new ATOM 296 N ASP A 99 8.720 -17.935 -10.794 1.00 0.00 N ATOM 297 CA ASP A 99 7.515 -18.210 -11.593 1.00 0.00 C ATOM 298 C ASP A 99 6.580 -16.978 -11.626 1.00 0.00 C ATOM 299 O ASP A 99 7.032 -15.859 -11.376 1.00 0.00 O ATOM 300 CB ASP A 99 6.840 -19.483 -11.047 1.00 0.00 C ATOM 301 CG ASP A 99 6.141 -19.269 -9.699 1.00 0.00 C ATOM 302 OD1 ASP A 99 6.828 -19.210 -8.652 1.00 0.00 O ATOM 303 OD2 ASP A 99 4.894 -19.154 -9.705 1.00 0.00 O ATOM 0 H ASP A 99 8.549 -17.267 -10.043 1.00 0.00 H new ATOM 0 HA ASP A 99 7.781 -18.397 -12.634 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.110 -19.839 -11.774 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.591 -20.266 -10.939 1.00 0.00 H new ATOM 308 N CYS A 100 5.302 -17.146 -11.980 1.00 0.00 N ATOM 309 CA CYS A 100 4.308 -16.064 -11.989 1.00 0.00 C ATOM 310 C CYS A 100 3.963 -15.525 -10.579 1.00 0.00 C ATOM 311 O CYS A 100 3.679 -14.332 -10.427 1.00 0.00 O ATOM 312 CB CYS A 100 3.060 -16.602 -12.709 1.00 0.00 C ATOM 313 SG CYS A 100 1.856 -15.278 -13.028 1.00 0.00 S ATOM 0 H CYS A 100 4.923 -18.047 -12.272 1.00 0.00 H new ATOM 0 HA CYS A 100 4.725 -15.203 -12.512 1.00 0.00 H new ATOM 0 HB2 CYS A 100 3.353 -17.064 -13.652 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.596 -17.380 -12.103 1.00 0.00 H new ATOM 0 HG CYS A 100 0.820 -15.772 -13.638 1.00 0.00 H new ATOM 319 N ARG A 101 3.997 -16.375 -9.540 1.00 0.00 N ATOM 320 CA ARG A 101 3.727 -16.001 -8.135 1.00 0.00 C ATOM 321 C ARG A 101 4.754 -15.004 -7.583 1.00 0.00 C ATOM 322 O ARG A 101 5.923 -14.997 -7.980 1.00 0.00 O ATOM 323 CB ARG A 101 3.729 -17.262 -7.246 1.00 0.00 C ATOM 324 CG ARG A 101 2.560 -18.232 -7.501 1.00 0.00 C ATOM 325 CD ARG A 101 1.234 -17.779 -6.872 1.00 0.00 C ATOM 326 NE ARG A 101 1.268 -17.868 -5.397 1.00 0.00 N ATOM 327 CZ ARG A 101 0.249 -17.706 -4.571 1.00 0.00 C ATOM 328 NH1 ARG A 101 -0.946 -17.400 -4.991 1.00 0.00 N ATOM 329 NH2 ARG A 101 0.414 -17.855 -3.287 1.00 0.00 N ATOM 0 H ARG A 101 4.218 -17.365 -9.652 1.00 0.00 H new ATOM 0 HA ARG A 101 2.749 -15.519 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.667 -17.796 -7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.705 -16.953 -6.201 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.422 -18.346 -8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.822 -19.214 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.023 -16.752 -7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.421 -18.395 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 101 2.172 -18.076 -4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.120 -17.277 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.707 -17.283 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.332 -18.098 -2.916 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.375 -17.729 -2.653 1.00 0.00 H new ATOM 343 N TYR A 102 4.317 -14.216 -6.600 1.00 0.00 N ATOM 344 CA TYR A 102 5.182 -13.369 -5.776 1.00 0.00 C ATOM 345 C TYR A 102 5.434 -14.029 -4.410 1.00 0.00 C ATOM 346 O TYR A 102 4.626 -14.835 -3.933 1.00 0.00 O ATOM 347 CB TYR A 102 4.540 -11.989 -5.564 1.00 0.00 C ATOM 348 CG TYR A 102 4.108 -11.249 -6.818 1.00 0.00 C ATOM 349 CD1 TYR A 102 5.073 -10.803 -7.742 1.00 0.00 C ATOM 350 CD2 TYR A 102 2.743 -10.977 -7.044 1.00 0.00 C ATOM 351 CE1 TYR A 102 4.681 -10.089 -8.892 1.00 0.00 C ATOM 352 CE2 TYR A 102 2.346 -10.265 -8.193 1.00 0.00 C ATOM 353 CZ TYR A 102 3.314 -9.818 -9.119 1.00 0.00 C ATOM 354 OH TYR A 102 2.923 -9.122 -10.220 1.00 0.00 O ATOM 0 H TYR A 102 3.331 -14.147 -6.349 1.00 0.00 H new ATOM 0 HA TYR A 102 6.131 -13.246 -6.297 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.668 -12.112 -4.922 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.248 -11.361 -5.023 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.119 -11.009 -7.568 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.001 -11.315 -6.336 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.425 -9.750 -9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.300 -10.061 -8.366 1.00 0.00 H new ATOM 0 HH TYR A 102 1.948 -9.028 -10.218 1.00 0.00 H new ATOM 364 N TYR A 103 6.526 -13.640 -3.756 1.00 0.00 N ATOM 365 CA TYR A 103 6.964 -14.142 -2.450 1.00 0.00 C ATOM 366 C TYR A 103 7.474 -12.975 -1.577 1.00 0.00 C ATOM 367 O TYR A 103 7.910 -11.953 -2.123 1.00 0.00 O ATOM 368 CB TYR A 103 8.059 -15.203 -2.666 1.00 0.00 C ATOM 369 CG TYR A 103 7.656 -16.361 -3.567 1.00 0.00 C ATOM 370 CD1 TYR A 103 6.965 -17.465 -3.030 1.00 0.00 C ATOM 371 CD2 TYR A 103 7.945 -16.318 -4.948 1.00 0.00 C ATOM 372 CE1 TYR A 103 6.559 -18.521 -3.869 1.00 0.00 C ATOM 373 CE2 TYR A 103 7.532 -17.368 -5.792 1.00 0.00 C ATOM 374 CZ TYR A 103 6.836 -18.474 -5.254 1.00 0.00 C ATOM 375 OH TYR A 103 6.423 -19.493 -6.054 1.00 0.00 O ATOM 0 H TYR A 103 7.159 -12.936 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 103 6.127 -14.603 -1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.937 -14.717 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.355 -15.602 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.746 -17.502 -1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 103 8.484 -15.478 -5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.035 -19.369 -3.453 1.00 0.00 H new ATOM 0 HE2 TYR A 103 7.747 -17.328 -6.850 1.00 0.00 H new ATOM 0 HH TYR A 103 6.835 -19.402 -6.938 1.00 0.00 H new ATOM 385 N PRO A 104 7.408 -13.072 -0.235 1.00 0.00 N ATOM 386 CA PRO A 104 7.775 -11.970 0.651 1.00 0.00 C ATOM 387 C PRO A 104 9.293 -11.719 0.681 1.00 0.00 C ATOM 388 O PRO A 104 10.100 -12.649 0.779 1.00 0.00 O ATOM 389 CB PRO A 104 7.226 -12.351 2.030 1.00 0.00 C ATOM 390 CG PRO A 104 7.183 -13.876 1.997 1.00 0.00 C ATOM 391 CD PRO A 104 6.875 -14.190 0.534 1.00 0.00 C ATOM 0 HA PRO A 104 7.352 -11.028 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.869 -11.986 2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.236 -11.927 2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.132 -14.312 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.416 -14.271 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 104 7.338 -15.129 0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.802 -14.297 0.375 1.00 0.00 H new ATOM 399 N ALA A 105 9.670 -10.441 0.655 1.00 0.00 N ATOM 400 CA ALA A 105 11.047 -9.965 0.735 1.00 0.00 C ATOM 401 C ALA A 105 11.145 -8.616 1.471 1.00 0.00 C ATOM 402 O ALA A 105 10.167 -7.873 1.569 1.00 0.00 O ATOM 403 CB ALA A 105 11.605 -9.853 -0.692 1.00 0.00 C ATOM 0 H ALA A 105 8.996 -9.680 0.574 1.00 0.00 H new ATOM 0 HA ALA A 105 11.637 -10.676 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.635 -9.498 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.576 -10.831 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.000 -9.150 -1.265 1.00 0.00 H new ATOM 409 N LYS A 106 12.342 -8.286 1.958 1.00 0.00 N ATOM 410 CA LYS A 106 12.691 -7.038 2.653 1.00 0.00 C ATOM 411 C LYS A 106 13.563 -6.173 1.744 1.00 0.00 C ATOM 412 O LYS A 106 14.571 -6.659 1.228 1.00 0.00 O ATOM 413 CB LYS A 106 13.422 -7.416 3.953 1.00 0.00 C ATOM 414 CG LYS A 106 13.832 -6.204 4.804 1.00 0.00 C ATOM 415 CD LYS A 106 14.581 -6.672 6.060 1.00 0.00 C ATOM 416 CE LYS A 106 15.005 -5.472 6.911 1.00 0.00 C ATOM 417 NZ LYS A 106 15.761 -5.899 8.117 1.00 0.00 N ATOM 0 H LYS A 106 13.141 -8.915 1.875 1.00 0.00 H new ATOM 0 HA LYS A 106 11.802 -6.457 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.778 -8.065 4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.313 -7.993 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 106 14.466 -5.537 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.948 -5.634 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.942 -7.333 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 106 15.459 -7.250 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 106 15.621 -4.800 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.122 -4.910 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 16.033 -5.062 8.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 15.164 -6.520 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.616 -6.414 7.826 1.00 0.00 H new ATOM 431 N ILE A 107 13.194 -4.909 1.540 1.00 0.00 N ATOM 432 CA ILE A 107 14.002 -3.952 0.766 1.00 0.00 C ATOM 433 C ILE A 107 15.264 -3.580 1.559 1.00 0.00 C ATOM 434 O ILE A 107 15.188 -3.274 2.749 1.00 0.00 O ATOM 435 CB ILE A 107 13.185 -2.692 0.384 1.00 0.00 C ATOM 436 CG1 ILE A 107 11.895 -3.080 -0.380 1.00 0.00 C ATOM 437 CG2 ILE A 107 14.049 -1.744 -0.469 1.00 0.00 C ATOM 438 CD1 ILE A 107 11.016 -1.896 -0.804 1.00 0.00 C ATOM 0 H ILE A 107 12.327 -4.514 1.905 1.00 0.00 H new ATOM 0 HA ILE A 107 14.301 -4.428 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 107 12.893 -2.179 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 107 12.173 -3.645 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.304 -3.746 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 107 13.468 -0.861 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 107 14.929 -1.442 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.363 -2.257 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 107 10.137 -2.266 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 107 10.702 -1.341 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.584 -1.238 -1.462 1.00 0.00 H new ATOM 450 N GLU A 108 16.416 -3.549 0.893 1.00 0.00 N ATOM 451 CA GLU A 108 17.707 -3.148 1.473 1.00 0.00 C ATOM 452 C GLU A 108 18.283 -1.874 0.834 1.00 0.00 C ATOM 453 O GLU A 108 19.022 -1.138 1.495 1.00 0.00 O ATOM 454 CB GLU A 108 18.730 -4.285 1.335 1.00 0.00 C ATOM 455 CG GLU A 108 18.258 -5.604 1.957 1.00 0.00 C ATOM 456 CD GLU A 108 19.457 -6.504 2.295 1.00 0.00 C ATOM 457 OE1 GLU A 108 20.193 -6.911 1.364 1.00 0.00 O ATOM 458 OE2 GLU A 108 19.684 -6.788 3.496 1.00 0.00 O ATOM 0 H GLU A 108 16.485 -3.808 -0.091 1.00 0.00 H new ATOM 0 HA GLU A 108 17.516 -2.933 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.944 -4.446 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.665 -3.983 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.683 -5.401 2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 108 17.593 -6.121 1.265 1.00 0.00 H new ATOM 465 N ALA A 109 17.928 -1.586 -0.423 1.00 0.00 N ATOM 466 CA ALA A 109 18.304 -0.365 -1.136 1.00 0.00 C ATOM 467 C ALA A 109 17.296 -0.034 -2.253 1.00 0.00 C ATOM 468 O ALA A 109 16.659 -0.930 -2.816 1.00 0.00 O ATOM 469 CB ALA A 109 19.717 -0.543 -1.710 1.00 0.00 C ATOM 0 H ALA A 109 17.355 -2.215 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 109 18.294 0.473 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 109 20.009 0.361 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.419 -0.727 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 109 19.727 -1.389 -2.397 1.00 0.00 H new ATOM 475 N ILE A 110 17.188 1.253 -2.595 1.00 0.00 N ATOM 476 CA ILE A 110 16.206 1.809 -3.542 1.00 0.00 C ATOM 477 C ILE A 110 16.929 2.728 -4.530 1.00 0.00 C ATOM 478 O ILE A 110 17.537 3.723 -4.132 1.00 0.00 O ATOM 479 CB ILE A 110 15.084 2.557 -2.775 1.00 0.00 C ATOM 480 CG1 ILE A 110 14.257 1.538 -1.958 1.00 0.00 C ATOM 481 CG2 ILE A 110 14.199 3.381 -3.732 1.00 0.00 C ATOM 482 CD1 ILE A 110 13.087 2.133 -1.171 1.00 0.00 C ATOM 0 H ILE A 110 17.804 1.967 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 110 15.732 1.004 -4.103 1.00 0.00 H new ATOM 0 HB ILE A 110 15.537 3.270 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 110 13.869 0.780 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 110 14.923 1.029 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.424 3.892 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 110 14.812 4.118 -4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 110 13.735 2.717 -4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 110 12.570 1.339 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 110 13.463 2.869 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.393 2.615 -1.860 1.00 0.00 H new ATOM 566 N PHE A 116 16.535 -1.849 -7.448 1.00 0.00 N ATOM 567 CA PHE A 116 16.155 -2.123 -6.055 1.00 0.00 C ATOM 568 C PHE A 116 16.884 -3.383 -5.568 1.00 0.00 C ATOM 569 O PHE A 116 16.970 -4.366 -6.305 1.00 0.00 O ATOM 570 CB PHE A 116 14.631 -2.329 -5.962 1.00 0.00 C ATOM 571 CG PHE A 116 13.790 -1.076 -6.141 1.00 0.00 C ATOM 572 CD1 PHE A 116 13.707 -0.435 -7.395 1.00 0.00 C ATOM 573 CD2 PHE A 116 13.076 -0.547 -5.048 1.00 0.00 C ATOM 574 CE1 PHE A 116 12.965 0.751 -7.538 1.00 0.00 C ATOM 575 CE2 PHE A 116 12.312 0.623 -5.198 1.00 0.00 C ATOM 576 CZ PHE A 116 12.272 1.284 -6.438 1.00 0.00 C ATOM 0 HA PHE A 116 16.436 -1.277 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 116 14.333 -3.056 -6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 116 14.399 -2.765 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE A 116 14.216 -0.857 -8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.116 -1.043 -4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 116 12.928 1.252 -8.494 1.00 0.00 H new ATOM 0 HE2 PHE A 116 11.755 1.015 -4.360 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.710 2.200 -6.545 1.00 0.00 H new ATOM 586 N THR A 117 17.384 -3.388 -4.331 1.00 0.00 N ATOM 587 CA THR A 117 18.057 -4.555 -3.718 1.00 0.00 C ATOM 588 C THR A 117 17.175 -5.124 -2.614 1.00 0.00 C ATOM 589 O THR A 117 16.616 -4.364 -1.819 1.00 0.00 O ATOM 590 CB THR A 117 19.438 -4.184 -3.158 1.00 0.00 C ATOM 591 OG1 THR A 117 20.220 -3.597 -4.176 1.00 0.00 O ATOM 592 CG2 THR A 117 20.224 -5.390 -2.644 1.00 0.00 C ATOM 0 H THR A 117 17.337 -2.578 -3.713 1.00 0.00 H new ATOM 0 HA THR A 117 18.211 -5.307 -4.492 1.00 0.00 H new ATOM 0 HB THR A 117 19.251 -3.503 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 117 21.100 -3.359 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 117 21.190 -5.059 -2.262 1.00 0.00 H new ATOM 0 HG22 THR A 117 19.664 -5.875 -1.844 1.00 0.00 H new ATOM 0 HG23 THR A 117 20.379 -6.097 -3.459 1.00 0.00 H new ATOM 600 N VAL A 118 17.039 -6.451 -2.565 1.00 0.00 N ATOM 601 CA VAL A 118 16.061 -7.151 -1.718 1.00 0.00 C ATOM 602 C VAL A 118 16.620 -8.445 -1.116 1.00 0.00 C ATOM 603 O VAL A 118 17.453 -9.127 -1.717 1.00 0.00 O ATOM 604 CB VAL A 118 14.767 -7.471 -2.506 1.00 0.00 C ATOM 605 CG1 VAL A 118 13.946 -6.212 -2.810 1.00 0.00 C ATOM 606 CG2 VAL A 118 15.017 -8.199 -3.835 1.00 0.00 C ATOM 0 H VAL A 118 17.614 -7.084 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 118 15.831 -6.470 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 118 14.213 -8.134 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 118 13.049 -6.488 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 118 13.662 -5.729 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.544 -5.523 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.065 -8.389 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 118 15.643 -7.579 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.521 -9.146 -3.642 1.00 0.00 H new ATOM 616 N GLN A 119 16.100 -8.813 0.057 1.00 0.00 N ATOM 617 CA GLN A 119 16.396 -10.055 0.774 1.00 0.00 C ATOM 618 C GLN A 119 15.094 -10.841 0.976 1.00 0.00 C ATOM 619 O GLN A 119 14.211 -10.409 1.719 1.00 0.00 O ATOM 620 CB GLN A 119 17.078 -9.728 2.114 1.00 0.00 C ATOM 621 CG GLN A 119 17.425 -10.996 2.914 1.00 0.00 C ATOM 622 CD GLN A 119 18.072 -10.664 4.256 1.00 0.00 C ATOM 623 OE1 GLN A 119 19.283 -10.704 4.429 1.00 0.00 O ATOM 624 NE2 GLN A 119 17.291 -10.338 5.266 1.00 0.00 N ATOM 0 H GLN A 119 15.431 -8.227 0.555 1.00 0.00 H new ATOM 0 HA GLN A 119 17.082 -10.674 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 119 17.988 -9.158 1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 119 16.421 -9.094 2.709 1.00 0.00 H new ATOM 0 HG2 GLN A 119 16.519 -11.578 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 119 18.101 -11.620 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 119 16.280 -10.300 5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 119 17.698 -10.123 6.176 1.00 0.00 H new ATOM 633 N PHE A 120 14.951 -11.983 0.301 1.00 0.00 N ATOM 634 CA PHE A 120 13.776 -12.854 0.432 1.00 0.00 C ATOM 635 C PHE A 120 13.770 -13.607 1.772 1.00 0.00 C ATOM 636 O PHE A 120 14.805 -13.744 2.429 1.00 0.00 O ATOM 637 CB PHE A 120 13.699 -13.803 -0.773 1.00 0.00 C ATOM 638 CG PHE A 120 13.096 -13.145 -2.002 1.00 0.00 C ATOM 639 CD1 PHE A 120 13.806 -12.148 -2.699 1.00 0.00 C ATOM 640 CD2 PHE A 120 11.797 -13.497 -2.425 1.00 0.00 C ATOM 641 CE1 PHE A 120 13.224 -11.510 -3.807 1.00 0.00 C ATOM 642 CE2 PHE A 120 11.229 -12.872 -3.550 1.00 0.00 C ATOM 643 CZ PHE A 120 11.947 -11.890 -4.248 1.00 0.00 C ATOM 0 H PHE A 120 15.649 -12.333 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 120 12.879 -12.235 0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 120 14.700 -14.161 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 120 13.104 -14.676 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 120 14.801 -11.873 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 120 11.238 -14.247 -1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 120 13.760 -10.726 -4.320 1.00 0.00 H new ATOM 0 HE2 PHE A 120 10.238 -13.149 -3.877 1.00 0.00 H new ATOM 0 HZ PHE A 120 11.518 -11.427 -5.124 1.00 0.00 H new ATOM 653 N TYR A 121 12.601 -14.117 2.174 1.00 0.00 N ATOM 654 CA TYR A 121 12.383 -14.806 3.458 1.00 0.00 C ATOM 655 C TYR A 121 13.323 -16.003 3.727 1.00 0.00 C ATOM 656 O TYR A 121 13.601 -16.324 4.884 1.00 0.00 O ATOM 657 CB TYR A 121 10.911 -15.238 3.555 1.00 0.00 C ATOM 658 CG TYR A 121 10.532 -16.421 2.676 1.00 0.00 C ATOM 659 CD1 TYR A 121 10.194 -16.230 1.321 1.00 0.00 C ATOM 660 CD2 TYR A 121 10.542 -17.724 3.217 1.00 0.00 C ATOM 661 CE1 TYR A 121 9.875 -17.334 0.506 1.00 0.00 C ATOM 662 CE2 TYR A 121 10.220 -18.829 2.407 1.00 0.00 C ATOM 663 CZ TYR A 121 9.885 -18.638 1.049 1.00 0.00 C ATOM 664 OH TYR A 121 9.576 -19.711 0.272 1.00 0.00 O ATOM 0 H TYR A 121 11.757 -14.063 1.604 1.00 0.00 H new ATOM 0 HA TYR A 121 12.630 -14.084 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.688 -15.488 4.592 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.280 -14.390 3.290 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.180 -15.233 0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.797 -17.874 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.623 -17.183 -0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.229 -19.825 2.825 1.00 0.00 H new ATOM 0 HH TYR A 121 9.634 -20.530 0.807 1.00 0.00 H new ATOM 674 N ASP A 122 13.842 -16.648 2.676 1.00 0.00 N ATOM 675 CA ASP A 122 14.836 -17.730 2.753 1.00 0.00 C ATOM 676 C ASP A 122 16.232 -17.262 3.234 1.00 0.00 C ATOM 677 O ASP A 122 17.024 -18.068 3.729 1.00 0.00 O ATOM 678 CB ASP A 122 14.933 -18.377 1.362 1.00 0.00 C ATOM 679 CG ASP A 122 15.848 -19.613 1.345 1.00 0.00 C ATOM 680 OD1 ASP A 122 15.470 -20.654 1.937 1.00 0.00 O ATOM 681 OD2 ASP A 122 16.928 -19.557 0.711 1.00 0.00 O ATOM 0 H ASP A 122 13.575 -16.426 1.717 1.00 0.00 H new ATOM 0 HA ASP A 122 14.501 -18.446 3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 122 13.936 -18.664 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.308 -17.642 0.649 1.00 0.00 H new ATOM 686 N GLY A 123 16.539 -15.966 3.098 1.00 0.00 N ATOM 687 CA GLY A 123 17.810 -15.330 3.478 1.00 0.00 C ATOM 688 C GLY A 123 18.685 -14.906 2.286 1.00 0.00 C ATOM 689 O GLY A 123 19.649 -14.160 2.468 1.00 0.00 O ATOM 0 H GLY A 123 15.877 -15.299 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 123 17.596 -14.452 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 123 18.377 -16.021 4.102 1.00 0.00 H new ATOM 693 N VAL A 124 18.364 -15.373 1.074 1.00 0.00 N ATOM 694 CA VAL A 124 19.049 -15.025 -0.187 1.00 0.00 C ATOM 695 C VAL A 124 18.874 -13.541 -0.560 1.00 0.00 C ATOM 696 O VAL A 124 17.843 -12.933 -0.258 1.00 0.00 O ATOM 697 CB VAL A 124 18.579 -15.972 -1.312 1.00 0.00 C ATOM 698 CG1 VAL A 124 17.100 -15.796 -1.683 1.00 0.00 C ATOM 699 CG2 VAL A 124 19.437 -15.848 -2.577 1.00 0.00 C ATOM 0 H VAL A 124 17.594 -16.027 0.934 1.00 0.00 H new ATOM 0 HA VAL A 124 20.121 -15.164 -0.045 1.00 0.00 H new ATOM 0 HB VAL A 124 18.702 -16.971 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 124 16.839 -16.493 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 124 16.480 -15.995 -0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 124 16.929 -14.775 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 124 19.065 -16.535 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 124 19.385 -14.826 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 124 20.472 -16.095 -2.340 1.00 0.00 H new ATOM 709 N ILE A 125 19.875 -12.963 -1.238 1.00 0.00 N ATOM 710 CA ILE A 125 19.955 -11.533 -1.593 1.00 0.00 C ATOM 711 C ILE A 125 20.319 -11.381 -3.078 1.00 0.00 C ATOM 712 O ILE A 125 21.361 -11.877 -3.514 1.00 0.00 O ATOM 713 CB ILE A 125 20.996 -10.794 -0.712 1.00 0.00 C ATOM 714 CG1 ILE A 125 20.703 -10.968 0.796 1.00 0.00 C ATOM 715 CG2 ILE A 125 21.034 -9.295 -1.078 1.00 0.00 C ATOM 716 CD1 ILE A 125 21.782 -10.390 1.718 1.00 0.00 C ATOM 0 H ILE A 125 20.681 -13.494 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 125 18.979 -11.083 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 125 21.971 -11.240 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 125 19.751 -10.491 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 125 20.588 -12.030 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 125 21.768 -8.786 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 125 21.310 -9.183 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 125 20.050 -8.855 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 125 21.498 -10.554 2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 125 22.733 -10.884 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 125 21.883 -9.320 1.534 1.00 0.00 H new ATOM 728 N ARG A 126 19.487 -10.652 -3.831 1.00 0.00 N ATOM 729 CA ARG A 126 19.708 -10.194 -5.222 1.00 0.00 C ATOM 730 C ARG A 126 19.096 -8.793 -5.416 1.00 0.00 C ATOM 731 O ARG A 126 18.590 -8.183 -4.470 1.00 0.00 O ATOM 732 CB ARG A 126 19.110 -11.212 -6.232 1.00 0.00 C ATOM 733 CG ARG A 126 19.847 -12.554 -6.414 1.00 0.00 C ATOM 734 CD ARG A 126 21.044 -12.496 -7.379 1.00 0.00 C ATOM 735 NE ARG A 126 22.195 -11.731 -6.858 1.00 0.00 N ATOM 736 CZ ARG A 126 23.186 -12.188 -6.110 1.00 0.00 C ATOM 737 NH1 ARG A 126 23.244 -13.425 -5.700 1.00 0.00 N ATOM 738 NH2 ARG A 126 24.164 -11.399 -5.769 1.00 0.00 N ATOM 0 H ARG A 126 18.584 -10.343 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 126 20.780 -10.130 -5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 126 18.087 -11.429 -5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 126 19.053 -10.725 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 126 20.197 -12.897 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG A 126 19.138 -13.298 -6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.367 -13.513 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 126 20.719 -12.050 -8.319 1.00 0.00 H new ATOM 0 HE ARG A 126 22.230 -10.741 -7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 126 22.507 -14.082 -5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 126 24.027 -13.735 -5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 126 24.167 -10.427 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 126 24.927 -11.753 -5.192 1.00 0.00 H new ATOM 752 N CYS A 127 19.119 -8.281 -6.645 1.00 0.00 N ATOM 753 CA CYS A 127 18.478 -7.025 -7.037 1.00 0.00 C ATOM 754 C CYS A 127 17.515 -7.222 -8.223 1.00 0.00 C ATOM 755 O CYS A 127 17.698 -8.123 -9.046 1.00 0.00 O ATOM 756 CB CYS A 127 19.565 -5.968 -7.302 1.00 0.00 C ATOM 757 SG CYS A 127 20.698 -6.486 -8.629 1.00 0.00 S ATOM 0 H CYS A 127 19.598 -8.741 -7.419 1.00 0.00 H new ATOM 0 HA CYS A 127 17.851 -6.663 -6.222 1.00 0.00 H new ATOM 0 HB2 CYS A 127 19.095 -5.023 -7.573 1.00 0.00 H new ATOM 0 HB3 CYS A 127 20.132 -5.792 -6.388 1.00 0.00 H new ATOM 0 HG CYS A 127 21.595 -5.564 -8.819 1.00 0.00 H new ATOM 763 N LEU A 128 16.480 -6.380 -8.297 1.00 0.00 N ATOM 764 CA LEU A 128 15.344 -6.495 -9.218 1.00 0.00 C ATOM 765 C LEU A 128 14.873 -5.119 -9.714 1.00 0.00 C ATOM 766 O LEU A 128 14.997 -4.105 -9.017 1.00 0.00 O ATOM 767 CB LEU A 128 14.159 -7.172 -8.489 1.00 0.00 C ATOM 768 CG LEU A 128 14.328 -8.650 -8.090 1.00 0.00 C ATOM 769 CD1 LEU A 128 13.098 -9.100 -7.298 1.00 0.00 C ATOM 770 CD2 LEU A 128 14.464 -9.570 -9.305 1.00 0.00 C ATOM 0 H LEU A 128 16.407 -5.563 -7.690 1.00 0.00 H new ATOM 0 HA LEU A 128 15.672 -7.086 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 128 13.948 -6.600 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 128 13.280 -7.093 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 128 15.240 -8.721 -7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 128 13.212 -10.146 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 128 12.999 -8.488 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 128 12.207 -8.987 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 128 14.581 -10.601 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 128 13.571 -9.489 -9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 128 15.337 -9.277 -9.887 1.00 0.00 H new ATOM 782 N LYS A 129 14.284 -5.090 -10.914 1.00 0.00 N ATOM 783 CA LYS A 129 13.545 -3.926 -11.429 1.00 0.00 C ATOM 784 C LYS A 129 12.241 -3.763 -10.640 1.00 0.00 C ATOM 785 O LYS A 129 11.651 -4.755 -10.204 1.00 0.00 O ATOM 786 CB LYS A 129 13.237 -4.121 -12.925 1.00 0.00 C ATOM 787 CG LYS A 129 14.509 -4.113 -13.792 1.00 0.00 C ATOM 788 CD LYS A 129 14.214 -4.346 -15.284 1.00 0.00 C ATOM 789 CE LYS A 129 13.361 -3.255 -15.950 1.00 0.00 C ATOM 790 NZ LYS A 129 14.070 -1.949 -16.022 1.00 0.00 N ATOM 0 H LYS A 129 14.305 -5.878 -11.562 1.00 0.00 H new ATOM 0 HA LYS A 129 14.152 -3.028 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.711 -5.066 -13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.566 -3.330 -13.261 1.00 0.00 H new ATOM 0 HG2 LYS A 129 15.019 -3.157 -13.672 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.191 -4.885 -13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 129 15.160 -4.425 -15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.705 -5.303 -15.394 1.00 0.00 H new ATOM 0 HE2 LYS A 129 13.088 -3.574 -16.956 1.00 0.00 H new ATOM 0 HE3 LYS A 129 12.433 -3.132 -15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 13.455 -1.245 -16.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.308 -1.630 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.943 -2.058 -16.577 1.00 0.00 H new ATOM 804 N ARG A 130 11.724 -2.535 -10.515 1.00 0.00 N ATOM 805 CA ARG A 130 10.448 -2.248 -9.847 1.00 0.00 C ATOM 806 C ARG A 130 9.260 -2.998 -10.468 1.00 0.00 C ATOM 807 O ARG A 130 8.338 -3.383 -9.754 1.00 0.00 O ATOM 808 CB ARG A 130 10.258 -0.727 -9.881 1.00 0.00 C ATOM 809 CG ARG A 130 9.008 -0.261 -9.140 1.00 0.00 C ATOM 810 CD ARG A 130 9.058 -0.545 -7.631 1.00 0.00 C ATOM 811 NE ARG A 130 7.897 0.024 -6.921 1.00 0.00 N ATOM 812 CZ ARG A 130 7.772 1.254 -6.451 1.00 0.00 C ATOM 813 NH1 ARG A 130 8.674 2.173 -6.651 1.00 0.00 N ATOM 814 NH2 ARG A 130 6.715 1.592 -5.770 1.00 0.00 N ATOM 0 H ARG A 130 12.186 -1.702 -10.879 1.00 0.00 H new ATOM 0 HA ARG A 130 10.481 -2.608 -8.819 1.00 0.00 H new ATOM 0 HB2 ARG A 130 11.133 -0.248 -9.441 1.00 0.00 H new ATOM 0 HB3 ARG A 130 10.202 -0.397 -10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 130 8.878 0.810 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 130 8.135 -0.754 -9.567 1.00 0.00 H new ATOM 0 HD2 ARG A 130 9.091 -1.622 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 130 9.976 -0.130 -7.215 1.00 0.00 H new ATOM 0 HE ARG A 130 7.103 -0.600 -6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.514 1.955 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 130 8.540 3.110 -6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 130 5.979 0.907 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 130 6.623 2.542 -5.409 1.00 0.00 H new ATOM 828 N MET A 131 9.328 -3.284 -11.770 1.00 0.00 N ATOM 829 CA MET A 131 8.375 -4.103 -12.538 1.00 0.00 C ATOM 830 C MET A 131 8.219 -5.555 -12.026 1.00 0.00 C ATOM 831 O MET A 131 7.338 -6.279 -12.494 1.00 0.00 O ATOM 832 CB MET A 131 8.785 -4.111 -14.025 1.00 0.00 C ATOM 833 CG MET A 131 8.832 -2.719 -14.677 1.00 0.00 C ATOM 834 SD MET A 131 10.304 -1.714 -14.310 1.00 0.00 S ATOM 835 CE MET A 131 9.897 -0.226 -15.263 1.00 0.00 C ATOM 0 H MET A 131 10.089 -2.934 -12.352 1.00 0.00 H new ATOM 0 HA MET A 131 7.399 -3.637 -12.404 1.00 0.00 H new ATOM 0 HB2 MET A 131 9.767 -4.575 -14.116 1.00 0.00 H new ATOM 0 HB3 MET A 131 8.084 -4.735 -14.579 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.762 -2.843 -15.758 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.949 -2.163 -14.362 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.697 0.506 -15.153 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.786 -0.487 -16.315 1.00 0.00 H new ATOM 0 HE3 MET A 131 8.963 0.198 -14.894 1.00 0.00 H new ATOM 845 N HIS A 132 9.045 -5.980 -11.060 1.00 0.00 N ATOM 846 CA HIS A 132 9.036 -7.316 -10.435 1.00 0.00 C ATOM 847 C HIS A 132 8.689 -7.266 -8.931 1.00 0.00 C ATOM 848 O HIS A 132 8.827 -8.273 -8.234 1.00 0.00 O ATOM 849 CB HIS A 132 10.383 -8.023 -10.687 1.00 0.00 C ATOM 850 CG HIS A 132 10.578 -8.474 -12.114 1.00 0.00 C ATOM 851 ND1 HIS A 132 10.577 -9.802 -12.556 1.00 0.00 N ATOM 852 CD2 HIS A 132 10.771 -7.655 -13.187 1.00 0.00 C ATOM 853 CE1 HIS A 132 10.767 -9.747 -13.886 1.00 0.00 C ATOM 854 NE2 HIS A 132 10.888 -8.471 -14.291 1.00 0.00 N ATOM 0 H HIS A 132 9.771 -5.377 -10.674 1.00 0.00 H new ATOM 0 HA HIS A 132 8.242 -7.897 -10.904 1.00 0.00 H new ATOM 0 HB2 HIS A 132 11.194 -7.347 -10.416 1.00 0.00 H new ATOM 0 HB3 HIS A 132 10.457 -8.889 -10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 132 10.822 -6.576 -13.174 1.00 0.00 H new ATOM 0 HE1 HIS A 132 10.816 -10.607 -14.537 1.00 0.00 H new ATOM 0 HE2 HIS A 132 11.040 -8.160 -15.251 1.00 0.00 H new ATOM 862 N ILE A 133 8.233 -6.112 -8.427 1.00 0.00 N ATOM 863 CA ILE A 133 7.959 -5.840 -7.005 1.00 0.00 C ATOM 864 C ILE A 133 6.565 -5.196 -6.860 1.00 0.00 C ATOM 865 O ILE A 133 6.138 -4.397 -7.698 1.00 0.00 O ATOM 866 CB ILE A 133 9.073 -4.943 -6.391 1.00 0.00 C ATOM 867 CG1 ILE A 133 10.501 -5.463 -6.703 1.00 0.00 C ATOM 868 CG2 ILE A 133 8.882 -4.825 -4.865 1.00 0.00 C ATOM 869 CD1 ILE A 133 11.638 -4.561 -6.198 1.00 0.00 C ATOM 0 H ILE A 133 8.036 -5.307 -9.022 1.00 0.00 H new ATOM 0 HA ILE A 133 7.961 -6.779 -6.452 1.00 0.00 H new ATOM 0 HB ILE A 133 8.978 -3.961 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 133 10.617 -6.453 -6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 133 10.602 -5.582 -7.782 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.668 -4.195 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 133 7.910 -4.380 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 133 8.934 -5.816 -4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 133 12.598 -5.004 -6.461 1.00 0.00 H new ATOM 0 HD12 ILE A 133 11.554 -3.577 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 133 11.569 -4.461 -5.115 1.00 0.00 H new ATOM 881 N LYS A 134 5.852 -5.540 -5.783 1.00 0.00 N ATOM 882 CA LYS A 134 4.480 -5.119 -5.453 1.00 0.00 C ATOM 883 C LYS A 134 4.345 -4.805 -3.960 1.00 0.00 C ATOM 884 O LYS A 134 5.034 -5.379 -3.116 1.00 0.00 O ATOM 885 CB LYS A 134 3.499 -6.254 -5.808 1.00 0.00 C ATOM 886 CG LYS A 134 3.327 -6.550 -7.309 1.00 0.00 C ATOM 887 CD LYS A 134 2.602 -5.449 -8.095 1.00 0.00 C ATOM 888 CE LYS A 134 1.161 -5.267 -7.598 1.00 0.00 C ATOM 889 NZ LYS A 134 0.430 -4.256 -8.404 1.00 0.00 N ATOM 0 H LYS A 134 6.239 -6.159 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 134 4.252 -4.220 -6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 134 3.835 -7.166 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.522 -6.007 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.311 -6.707 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.775 -7.483 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.145 -4.509 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.594 -5.701 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 134 0.636 -6.221 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 134 1.172 -4.961 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -0.540 -4.158 -8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 0.918 -3.340 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 0.399 -4.561 -9.398 1.00 0.00 H new ATOM 903 N ALA A 135 3.408 -3.921 -3.633 1.00 0.00 N ATOM 904 CA ALA A 135 3.007 -3.650 -2.254 1.00 0.00 C ATOM 905 C ALA A 135 2.328 -4.876 -1.605 1.00 0.00 C ATOM 906 O ALA A 135 1.799 -5.756 -2.293 1.00 0.00 O ATOM 907 CB ALA A 135 2.081 -2.426 -2.253 1.00 0.00 C ATOM 0 H ALA A 135 2.900 -3.367 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 135 3.892 -3.441 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.770 -2.206 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.613 -1.567 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.202 -2.634 -2.863 1.00 0.00 H new ATOM 913 N MET A 136 2.309 -4.911 -0.271 1.00 0.00 N ATOM 914 CA MET A 136 1.535 -5.889 0.509 1.00 0.00 C ATOM 915 C MET A 136 0.010 -5.767 0.259 1.00 0.00 C ATOM 916 O MET A 136 -0.461 -4.698 -0.145 1.00 0.00 O ATOM 917 CB MET A 136 1.889 -5.731 2.002 1.00 0.00 C ATOM 918 CG MET A 136 3.196 -6.460 2.342 1.00 0.00 C ATOM 919 SD MET A 136 3.107 -8.267 2.165 1.00 0.00 S ATOM 920 CE MET A 136 4.853 -8.697 2.371 1.00 0.00 C ATOM 0 H MET A 136 2.835 -4.256 0.308 1.00 0.00 H new ATOM 0 HA MET A 136 1.806 -6.893 0.181 1.00 0.00 H new ATOM 0 HB2 MET A 136 1.986 -4.673 2.246 1.00 0.00 H new ATOM 0 HB3 MET A 136 1.079 -6.127 2.615 1.00 0.00 H new ATOM 0 HG2 MET A 136 3.989 -6.081 1.697 1.00 0.00 H new ATOM 0 HG3 MET A 136 3.477 -6.220 3.367 1.00 0.00 H new ATOM 0 HE1 MET A 136 5.036 -9.686 1.950 1.00 0.00 H new ATOM 0 HE2 MET A 136 5.472 -7.963 1.855 1.00 0.00 H new ATOM 0 HE3 MET A 136 5.104 -8.702 3.432 1.00 0.00 H new