USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 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 12 LYS NZ :NH3+ -140:sc= -2.26 (180deg=-5.32!) USER MOD Single : A 15 THR OG1 : rot 90:sc= -0.242! USER MOD Single : A 19 THR OG1 : rot 85:sc= -1.02 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -10! C(o=-10!,f=-17!) USER MOD Single : A 28 GLN : amide:sc= -6.83! K(o=-6.8!,f=-0.89) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.21) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 94:sc= 1.19 USER MOD Single : A 90 THR OG1 : rot 79:sc= 0.701 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -80:sc= -1.18 USER MOD Single : A 94 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.56) USER MOD Single : A 96 LYS NZ :NH3+ 165:sc=-0.00583 (180deg=-0.192) USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= -0.0161 (180deg=-0.344) USER MOD Single : A 99 THR OG1 : rot -24:sc= 0.292 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 102 SER OG : rot 180:sc= -0.394 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -10.986 -20.122 -4.417 1.00 0.00 N ATOM 108 CA PHE A 7 -10.271 -18.890 -4.090 1.00 0.00 C ATOM 109 C PHE A 7 -10.846 -17.712 -4.863 1.00 0.00 C ATOM 110 O PHE A 7 -11.075 -16.646 -4.295 1.00 0.00 O ATOM 111 CB PHE A 7 -8.776 -19.065 -4.416 1.00 0.00 C ATOM 112 CG PHE A 7 -8.036 -19.624 -3.215 1.00 0.00 C ATOM 113 CD1 PHE A 7 -8.674 -20.526 -2.343 1.00 0.00 C ATOM 114 CD2 PHE A 7 -6.714 -19.238 -2.975 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.980 -21.035 -1.239 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.023 -19.749 -1.868 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.655 -20.648 -1.002 1.00 0.00 C ATOM 0 HA PHE A 7 -10.388 -18.684 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.659 -19.735 -5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.345 -18.106 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.696 -20.824 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.225 -18.545 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -8.467 -21.728 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.002 -19.449 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.121 -21.044 -0.151 1.00 0.00 H new ATOM 127 N ALA A 8 -11.104 -17.907 -6.144 1.00 0.00 N ATOM 128 CA ALA A 8 -11.679 -16.840 -6.935 1.00 0.00 C ATOM 129 C ALA A 8 -13.032 -16.486 -6.352 1.00 0.00 C ATOM 130 O ALA A 8 -13.394 -15.319 -6.259 1.00 0.00 O ATOM 131 CB ALA A 8 -11.827 -17.275 -8.388 1.00 0.00 C ATOM 0 H ALA A 8 -10.928 -18.776 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.024 -15.969 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.261 -16.461 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.847 -17.528 -8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.479 -18.147 -8.442 1.00 0.00 H new ATOM 137 N ARG A 9 -13.775 -17.504 -5.941 1.00 0.00 N ATOM 138 CA ARG A 9 -15.085 -17.265 -5.352 1.00 0.00 C ATOM 139 C ARG A 9 -14.945 -16.512 -4.035 1.00 0.00 C ATOM 140 O ARG A 9 -15.713 -15.606 -3.757 1.00 0.00 O ATOM 141 CB ARG A 9 -15.797 -18.589 -5.078 1.00 0.00 C ATOM 142 CG ARG A 9 -16.137 -19.289 -6.399 1.00 0.00 C ATOM 143 CD ARG A 9 -16.834 -20.619 -6.105 1.00 0.00 C ATOM 144 NE ARG A 9 -17.142 -21.312 -7.353 1.00 0.00 N ATOM 145 CZ ARG A 9 -18.232 -21.017 -8.053 1.00 0.00 C ATOM 146 NH1 ARG A 9 -19.050 -20.092 -7.631 1.00 0.00 N ATOM 147 NH2 ARG A 9 -18.484 -21.651 -9.165 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.501 -18.485 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.666 -16.672 -6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.162 -19.233 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.708 -18.409 -4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.783 -18.653 -7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.229 -19.462 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.194 -21.244 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.751 -20.441 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.509 -22.036 -7.693 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.853 -19.594 -6.763 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.886 -19.867 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.844 -22.373 -9.497 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.321 -21.425 -9.703 1.00 0.00 H new ATOM 161 N LEU A 10 -13.972 -16.901 -3.219 1.00 0.00 N ATOM 162 CA LEU A 10 -13.775 -16.246 -1.931 1.00 0.00 C ATOM 163 C LEU A 10 -13.305 -14.812 -2.105 1.00 0.00 C ATOM 164 O LEU A 10 -13.783 -13.898 -1.433 1.00 0.00 O ATOM 165 CB LEU A 10 -12.720 -17.007 -1.136 1.00 0.00 C ATOM 166 CG LEU A 10 -13.265 -18.375 -0.661 1.00 0.00 C ATOM 167 CD1 LEU A 10 -12.108 -19.224 -0.109 1.00 0.00 C ATOM 168 CD2 LEU A 10 -14.335 -18.195 0.439 1.00 0.00 C ATOM 0 H LEU A 10 -13.316 -17.655 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.730 -16.241 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.834 -17.158 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.411 -16.415 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.725 -18.875 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.491 -20.188 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.366 -19.381 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.645 -18.706 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.701 -19.172 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.896 -17.679 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.164 -17.606 0.047 1.00 0.00 H new ATOM 180 N VAL A 11 -12.361 -14.632 -3.008 1.00 0.00 N ATOM 181 CA VAL A 11 -11.819 -13.310 -3.269 1.00 0.00 C ATOM 182 C VAL A 11 -12.921 -12.446 -3.847 1.00 0.00 C ATOM 183 O VAL A 11 -13.127 -11.307 -3.427 1.00 0.00 O ATOM 184 CB VAL A 11 -10.639 -13.398 -4.246 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.182 -11.991 -4.633 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.472 -14.147 -3.592 1.00 0.00 C ATOM 0 H VAL A 11 -11.954 -15.379 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.452 -12.871 -2.341 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.959 -13.936 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.344 -12.059 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.006 -11.459 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.870 -11.451 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.639 -14.205 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.156 -13.615 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.791 -15.154 -3.323 1.00 0.00 H new ATOM 196 N LYS A 12 -13.651 -13.019 -4.794 1.00 0.00 N ATOM 197 CA LYS A 12 -14.761 -12.321 -5.407 1.00 0.00 C ATOM 198 C LYS A 12 -15.818 -12.027 -4.362 1.00 0.00 C ATOM 199 O LYS A 12 -16.430 -10.969 -4.382 1.00 0.00 O ATOM 200 CB LYS A 12 -15.366 -13.166 -6.534 1.00 0.00 C ATOM 201 CG LYS A 12 -14.432 -13.146 -7.745 1.00 0.00 C ATOM 202 CD LYS A 12 -14.869 -14.189 -8.782 1.00 0.00 C ATOM 203 CE LYS A 12 -16.175 -13.755 -9.460 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.485 -14.689 -10.578 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.492 -13.962 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.398 -11.384 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.516 -14.191 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.345 -12.775 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.434 -12.154 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.410 -13.349 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.088 -14.316 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.007 -15.156 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.990 -13.753 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.081 -12.737 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.853 -14.151 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.619 -15.192 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.199 -15.378 -10.267 1.00 0.00 H new ATOM 218 N GLU A 13 -16.043 -12.971 -3.456 1.00 0.00 N ATOM 219 CA GLU A 13 -17.053 -12.770 -2.429 1.00 0.00 C ATOM 220 C GLU A 13 -16.700 -11.615 -1.494 1.00 0.00 C ATOM 221 O GLU A 13 -17.531 -10.747 -1.258 1.00 0.00 O ATOM 222 CB GLU A 13 -17.231 -14.069 -1.653 1.00 0.00 C ATOM 223 CG GLU A 13 -18.048 -15.065 -2.501 1.00 0.00 C ATOM 224 CD GLU A 13 -19.545 -14.931 -2.216 1.00 0.00 C ATOM 225 OE1 GLU A 13 -19.919 -14.007 -1.513 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.295 -15.757 -2.708 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.551 -13.864 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.992 -12.498 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.258 -14.495 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.740 -13.875 -0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.859 -14.887 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.723 -16.083 -2.286 1.00 0.00 H new ATOM 233 N VAL A 14 -15.466 -11.577 -0.996 1.00 0.00 N ATOM 234 CA VAL A 14 -15.050 -10.482 -0.115 1.00 0.00 C ATOM 235 C VAL A 14 -15.136 -9.166 -0.857 1.00 0.00 C ATOM 236 O VAL A 14 -15.626 -8.157 -0.339 1.00 0.00 O ATOM 237 CB VAL A 14 -13.604 -10.696 0.359 1.00 0.00 C ATOM 238 CG1 VAL A 14 -13.073 -9.427 1.044 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.574 -11.838 1.364 1.00 0.00 C ATOM 0 H VAL A 14 -14.747 -12.276 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.713 -10.464 0.750 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.981 -10.928 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.048 -9.594 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.096 -8.596 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.698 -9.190 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.551 -11.996 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.206 -11.589 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.943 -12.748 0.892 1.00 0.00 H new ATOM 249 N THR A 15 -14.637 -9.194 -2.072 1.00 0.00 N ATOM 250 CA THR A 15 -14.626 -8.020 -2.900 1.00 0.00 C ATOM 251 C THR A 15 -16.054 -7.589 -3.174 1.00 0.00 C ATOM 252 O THR A 15 -16.349 -6.405 -3.207 1.00 0.00 O ATOM 253 CB THR A 15 -13.890 -8.305 -4.211 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.577 -8.766 -3.920 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.788 -7.022 -5.035 1.00 0.00 C ATOM 0 H THR A 15 -14.233 -10.024 -2.506 1.00 0.00 H new ATOM 0 HA THR A 15 -14.102 -7.215 -2.384 1.00 0.00 H new ATOM 0 HB THR A 15 -14.439 -9.061 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.585 -9.742 -3.833 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.263 -7.229 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.789 -6.651 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.239 -6.269 -4.469 1.00 0.00 H new ATOM 263 N ASP A 16 -16.938 -8.565 -3.376 1.00 0.00 N ATOM 264 CA ASP A 16 -18.337 -8.268 -3.649 1.00 0.00 C ATOM 265 C ASP A 16 -18.965 -7.517 -2.476 1.00 0.00 C ATOM 266 O ASP A 16 -19.778 -6.613 -2.673 1.00 0.00 O ATOM 267 CB ASP A 16 -19.118 -9.555 -3.911 1.00 0.00 C ATOM 268 CG ASP A 16 -18.731 -10.139 -5.264 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.095 -9.437 -6.032 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.080 -11.282 -5.515 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.710 -9.559 -3.355 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.381 -7.639 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.915 -10.279 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.188 -9.351 -3.888 1.00 0.00 H new ATOM 275 N GLU A 17 -18.586 -7.892 -1.255 1.00 0.00 N ATOM 276 CA GLU A 17 -19.121 -7.242 -0.071 1.00 0.00 C ATOM 277 C GLU A 17 -18.747 -5.779 -0.126 1.00 0.00 C ATOM 278 O GLU A 17 -19.552 -4.900 0.181 1.00 0.00 O ATOM 279 CB GLU A 17 -18.523 -7.855 1.203 1.00 0.00 C ATOM 280 CG GLU A 17 -18.961 -9.311 1.342 1.00 0.00 C ATOM 281 CD GLU A 17 -18.619 -9.829 2.736 1.00 0.00 C ATOM 282 OE1 GLU A 17 -18.036 -9.076 3.500 1.00 0.00 O ATOM 283 OE2 GLU A 17 -18.947 -10.969 3.020 1.00 0.00 O1- ATOM 0 H GLU A 17 -17.916 -8.637 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.203 -7.373 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.435 -7.796 1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.845 -7.286 2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.034 -9.395 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.466 -9.922 0.587 1.00 0.00 H new ATOM 290 N PHE A 18 -17.519 -5.526 -0.547 1.00 0.00 N ATOM 291 CA PHE A 18 -17.050 -4.162 -0.673 1.00 0.00 C ATOM 292 C PHE A 18 -17.741 -3.516 -1.870 1.00 0.00 C ATOM 293 O PHE A 18 -18.174 -2.365 -1.817 1.00 0.00 O ATOM 294 CB PHE A 18 -15.542 -4.143 -0.908 1.00 0.00 C ATOM 295 CG PHE A 18 -14.778 -4.985 0.081 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.322 -5.409 1.309 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.475 -5.347 -0.264 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.550 -6.185 2.170 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.714 -6.117 0.600 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.249 -6.534 1.813 1.00 0.00 C ATOM 0 H PHE A 18 -16.838 -6.240 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.277 -3.617 0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.333 -4.499 -1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.185 -3.115 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.330 -5.134 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.059 -5.026 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.959 -6.516 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.705 -6.393 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.652 -7.133 2.484 1.00 0.00 H new ATOM 310 N THR A 19 -17.838 -4.291 -2.946 1.00 0.00 N ATOM 311 CA THR A 19 -18.472 -3.840 -4.175 1.00 0.00 C ATOM 312 C THR A 19 -19.973 -3.998 -4.065 1.00 0.00 C ATOM 313 O THR A 19 -20.694 -3.878 -5.055 1.00 0.00 O ATOM 314 CB THR A 19 -17.949 -4.629 -5.387 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.569 -4.907 -5.214 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.144 -3.805 -6.663 1.00 0.00 C ATOM 0 H THR A 19 -17.480 -5.245 -2.988 1.00 0.00 H new ATOM 0 HA THR A 19 -18.227 -2.788 -4.322 1.00 0.00 H new ATOM 0 HB THR A 19 -18.502 -5.564 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.464 -5.721 -4.679 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.772 -4.367 -7.520 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.204 -3.593 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.594 -2.867 -6.578 1.00 0.00 H new ATOM 324 N THR A 20 -20.445 -4.255 -2.847 1.00 0.00 N ATOM 325 CA THR A 20 -21.879 -4.405 -2.617 1.00 0.00 C ATOM 326 C THR A 20 -22.624 -3.297 -3.353 1.00 0.00 C ATOM 327 O THR A 20 -23.823 -3.393 -3.611 1.00 0.00 O ATOM 328 CB THR A 20 -22.187 -4.358 -1.120 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.593 -4.422 -0.924 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.640 -3.062 -0.521 1.00 0.00 C ATOM 0 H THR A 20 -19.865 -4.362 -2.015 1.00 0.00 H new ATOM 0 HA THR A 20 -22.207 -5.372 -2.998 1.00 0.00 H new ATOM 0 HB THR A 20 -21.714 -5.207 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.791 -4.393 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.862 -3.032 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.561 -3.020 -0.669 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.107 -2.209 -1.012 1.00 0.00 H new ATOM 338 N LYS A 21 -21.866 -2.277 -3.746 1.00 0.00 N ATOM 339 CA LYS A 21 -22.393 -1.176 -4.520 1.00 0.00 C ATOM 340 C LYS A 21 -22.752 -1.669 -5.906 1.00 0.00 C ATOM 341 O LYS A 21 -22.742 -0.905 -6.856 1.00 0.00 O ATOM 342 CB LYS A 21 -21.351 -0.074 -4.658 1.00 0.00 C ATOM 343 CG LYS A 21 -21.145 0.598 -3.307 1.00 0.00 C ATOM 344 CD LYS A 21 -20.100 1.702 -3.445 1.00 0.00 C ATOM 345 CE LYS A 21 -19.901 2.386 -2.093 1.00 0.00 C ATOM 346 NZ LYS A 21 -18.876 3.458 -2.224 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.872 -2.198 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.272 -0.782 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.410 -0.491 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.677 0.659 -5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.086 1.015 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.820 -0.136 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.157 1.283 -3.795 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.421 2.430 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.843 2.810 -1.746 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.586 1.656 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.741 3.923 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.976 3.041 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.194 4.159 -2.923 1.00 0.00 H new ATOM 360 N ASP A 22 -23.048 -2.956 -6.033 1.00 0.00 N ATOM 361 CA ASP A 22 -23.395 -3.491 -7.329 1.00 0.00 C ATOM 362 C ASP A 22 -24.793 -3.030 -7.673 1.00 0.00 C ATOM 363 O ASP A 22 -25.647 -3.818 -8.077 1.00 0.00 O ATOM 364 CB ASP A 22 -23.355 -5.016 -7.314 1.00 0.00 C ATOM 365 CG ASP A 22 -23.429 -5.553 -8.739 1.00 0.00 C ATOM 366 OD1 ASP A 22 -23.732 -4.774 -9.629 1.00 0.00 O ATOM 367 OD2 ASP A 22 -23.183 -6.734 -8.919 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.053 -3.631 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.678 -3.138 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.438 -5.359 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.187 -5.404 -6.727 1.00 0.00 H new ATOM 372 N GLN A 23 -25.017 -1.735 -7.495 1.00 0.00 N ATOM 373 CA GLN A 23 -26.323 -1.156 -7.776 1.00 0.00 C ATOM 374 C GLN A 23 -26.766 -1.624 -9.141 1.00 0.00 C ATOM 375 O GLN A 23 -27.896 -2.066 -9.345 1.00 0.00 O ATOM 376 CB GLN A 23 -26.288 0.397 -7.760 1.00 0.00 C ATOM 377 CG GLN A 23 -24.967 0.919 -7.192 1.00 0.00 C ATOM 378 CD GLN A 23 -23.871 0.921 -8.254 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.142 0.666 -9.427 1.00 0.00 O ATOM 380 NE2 GLN A 23 -22.638 1.212 -7.905 1.00 0.00 N ATOM 0 H GLN A 23 -24.319 -1.071 -7.161 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.016 -1.479 -7.000 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -26.426 0.776 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -27.118 0.775 -7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -25.107 1.930 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -24.660 0.299 -6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.420 1.422 -6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -21.899 1.227 -8.608 1.00 0.00 H new ATOM 389 N ASP A 24 -25.836 -1.513 -10.067 1.00 0.00 N ATOM 390 CA ASP A 24 -26.085 -1.914 -11.444 1.00 0.00 C ATOM 391 C ASP A 24 -24.808 -2.388 -12.117 1.00 0.00 C ATOM 392 O ASP A 24 -24.816 -2.742 -13.295 1.00 0.00 O ATOM 393 CB ASP A 24 -26.654 -0.729 -12.216 1.00 0.00 C ATOM 394 CG ASP A 24 -27.950 -0.251 -11.571 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.796 -1.086 -11.297 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.079 0.944 -11.361 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.899 -1.149 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.796 -2.740 -11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.928 0.084 -12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.839 -1.016 -13.251 1.00 0.00 H new ATOM 401 N LEU A 25 -23.716 -2.390 -11.367 1.00 0.00 N ATOM 402 CA LEU A 25 -22.430 -2.811 -11.924 1.00 0.00 C ATOM 403 C LEU A 25 -22.510 -4.202 -12.518 1.00 0.00 C ATOM 404 O LEU A 25 -23.481 -4.936 -12.326 1.00 0.00 O ATOM 405 CB LEU A 25 -21.323 -2.782 -10.870 1.00 0.00 C ATOM 406 CG LEU A 25 -20.725 -1.380 -10.748 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.818 -0.398 -10.326 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.609 -1.388 -9.692 1.00 0.00 C ATOM 0 H LEU A 25 -23.688 -2.111 -10.386 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.188 -2.099 -12.713 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.724 -3.096 -9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.542 -3.493 -11.137 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.312 -1.076 -11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.394 0.602 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.610 -0.392 -11.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.230 -0.703 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.183 -0.388 -9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -20.021 -1.692 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.830 -2.090 -9.991 1.00 0.00 H new ATOM 420 N ARG A 26 -21.462 -4.534 -13.253 1.00 0.00 N ATOM 421 CA ARG A 26 -21.357 -5.824 -13.919 1.00 0.00 C ATOM 422 C ARG A 26 -19.927 -6.349 -13.842 1.00 0.00 C ATOM 423 O ARG A 26 -18.967 -5.605 -14.022 1.00 0.00 O ATOM 424 CB ARG A 26 -21.770 -5.669 -15.371 1.00 0.00 C ATOM 425 CG ARG A 26 -21.852 -7.044 -16.021 1.00 0.00 C ATOM 426 CD ARG A 26 -22.238 -6.879 -17.488 1.00 0.00 C ATOM 427 NE ARG A 26 -22.332 -8.181 -18.135 1.00 0.00 N ATOM 428 CZ ARG A 26 -23.440 -8.913 -18.058 1.00 0.00 C ATOM 429 NH1 ARG A 26 -24.476 -8.462 -17.406 1.00 0.00 N ATOM 430 NH2 ARG A 26 -23.492 -10.080 -18.639 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.662 -3.920 -13.405 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.014 -6.538 -13.422 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.735 -5.166 -15.435 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.050 -5.046 -15.901 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.893 -7.556 -15.939 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.588 -7.661 -15.505 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -23.192 -6.358 -17.564 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -21.497 -6.264 -17.999 1.00 0.00 H new ATOM 0 HE ARG A 26 -21.532 -8.538 -18.657 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -24.437 -7.548 -16.955 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.326 -9.023 -17.347 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -22.683 -10.431 -19.152 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -24.341 -10.642 -18.580 1.00 0.00 H new ATOM 444 N TRP A 27 -19.788 -7.636 -13.569 1.00 0.00 N ATOM 445 CA TRP A 27 -18.455 -8.250 -13.466 1.00 0.00 C ATOM 446 C TRP A 27 -18.093 -9.036 -14.718 1.00 0.00 C ATOM 447 O TRP A 27 -18.690 -10.071 -15.017 1.00 0.00 O ATOM 448 CB TRP A 27 -18.388 -9.200 -12.259 1.00 0.00 C ATOM 449 CG TRP A 27 -18.179 -8.442 -10.993 1.00 0.00 C ATOM 450 CD1 TRP A 27 -18.984 -7.474 -10.513 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.104 -8.593 -10.037 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.483 -7.038 -9.297 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.319 -7.699 -8.964 1.00 0.00 C ATOM 454 CE3 TRP A 27 -15.976 -9.423 -9.999 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.442 -7.636 -7.883 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.087 -9.360 -8.919 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.321 -8.472 -7.862 1.00 0.00 C ATOM 0 H TRP A 27 -20.566 -8.278 -13.415 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.744 -7.433 -13.343 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.311 -9.776 -12.194 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.576 -9.914 -12.398 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.874 -7.099 -10.997 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -18.920 -6.319 -8.721 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.791 -10.115 -10.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.626 -6.949 -7.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.217 -9.999 -8.901 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.635 -8.433 -7.029 1.00 0.00 H new ATOM 468 N GLN A 28 -17.080 -8.551 -15.418 1.00 0.00 N ATOM 469 CA GLN A 28 -16.588 -9.215 -16.613 1.00 0.00 C ATOM 470 C GLN A 28 -15.584 -10.289 -16.215 1.00 0.00 C ATOM 471 O GLN A 28 -15.071 -10.282 -15.098 1.00 0.00 O ATOM 472 CB GLN A 28 -15.894 -8.193 -17.506 1.00 0.00 C ATOM 473 CG GLN A 28 -16.802 -6.979 -17.650 1.00 0.00 C ATOM 474 CD GLN A 28 -18.152 -7.404 -18.189 1.00 0.00 C ATOM 475 OE1 GLN A 28 -18.234 -8.065 -19.224 1.00 0.00 O ATOM 476 NE2 GLN A 28 -19.220 -7.062 -17.544 1.00 0.00 N ATOM 0 H GLN A 28 -16.580 -7.695 -15.177 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.422 -9.669 -17.148 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.937 -7.901 -17.074 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.683 -8.626 -18.484 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.925 -6.489 -16.684 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.346 -6.251 -18.321 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.145 -6.514 -16.687 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -20.137 -7.340 -17.893 1.00 0.00 H new ATOM 485 N SER A 29 -15.286 -11.190 -17.134 1.00 0.00 N ATOM 486 CA SER A 29 -14.316 -12.239 -16.861 1.00 0.00 C ATOM 487 C SER A 29 -12.984 -11.597 -16.501 1.00 0.00 C ATOM 488 O SER A 29 -12.230 -12.115 -15.680 1.00 0.00 O ATOM 489 CB SER A 29 -14.149 -13.144 -18.082 1.00 0.00 C ATOM 490 OG SER A 29 -13.206 -14.165 -17.784 1.00 0.00 O ATOM 0 H SER A 29 -15.696 -11.218 -18.067 1.00 0.00 H new ATOM 0 HA SER A 29 -14.668 -12.850 -16.030 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.107 -13.586 -18.355 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.812 -12.560 -18.938 1.00 0.00 H new ATOM 0 HG SER A 29 -13.098 -14.748 -18.564 1.00 0.00 H new ATOM 496 N MET A 30 -12.701 -10.463 -17.132 1.00 0.00 N ATOM 497 CA MET A 30 -11.454 -9.753 -16.880 1.00 0.00 C ATOM 498 C MET A 30 -11.384 -9.354 -15.412 1.00 0.00 C ATOM 499 O MET A 30 -10.334 -9.428 -14.786 1.00 0.00 O ATOM 500 CB MET A 30 -11.373 -8.494 -17.750 1.00 0.00 C ATOM 501 CG MET A 30 -11.301 -8.896 -19.217 1.00 0.00 C ATOM 502 SD MET A 30 -11.220 -7.412 -20.250 1.00 0.00 S ATOM 503 CE MET A 30 -11.121 -8.251 -21.850 1.00 0.00 C ATOM 0 H MET A 30 -13.313 -10.019 -17.816 1.00 0.00 H new ATOM 0 HA MET A 30 -10.620 -10.410 -17.126 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.244 -7.863 -17.577 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.495 -7.907 -17.479 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.425 -9.521 -19.391 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.174 -9.491 -19.485 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.062 -7.509 -22.647 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.233 -8.882 -21.875 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.009 -8.867 -21.993 1.00 0.00 H new ATOM 513 N ALA A 31 -12.516 -8.952 -14.857 1.00 0.00 N ATOM 514 CA ALA A 31 -12.564 -8.557 -13.453 1.00 0.00 C ATOM 515 C ALA A 31 -11.899 -9.638 -12.602 1.00 0.00 C ATOM 516 O ALA A 31 -11.152 -9.348 -11.664 1.00 0.00 O ATOM 517 CB ALA A 31 -14.021 -8.390 -13.027 1.00 0.00 C ATOM 0 H ALA A 31 -13.407 -8.890 -15.349 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.036 -7.613 -13.316 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.062 -8.095 -11.979 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.493 -7.622 -13.639 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.549 -9.334 -13.159 1.00 0.00 H new ATOM 523 N ILE A 32 -12.173 -10.885 -12.956 1.00 0.00 N ATOM 524 CA ILE A 32 -11.611 -12.033 -12.263 1.00 0.00 C ATOM 525 C ILE A 32 -10.120 -12.147 -12.565 1.00 0.00 C ATOM 526 O ILE A 32 -9.318 -12.461 -11.691 1.00 0.00 O ATOM 527 CB ILE A 32 -12.340 -13.286 -12.718 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.833 -13.084 -12.451 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.831 -14.494 -11.929 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.640 -14.289 -12.942 1.00 0.00 C ATOM 0 H ILE A 32 -12.790 -11.128 -13.731 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.734 -11.912 -11.187 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.165 -13.465 -13.779 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.000 -12.939 -11.384 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.178 -12.180 -12.953 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.356 -15.391 -12.258 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.762 -14.616 -12.100 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.012 -14.337 -10.866 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.699 -14.124 -12.742 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.489 -14.416 -14.014 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.308 -15.186 -12.420 1.00 0.00 H new ATOM 542 N MET A 33 -9.754 -11.872 -13.808 1.00 0.00 N ATOM 543 CA MET A 33 -8.354 -11.925 -14.204 1.00 0.00 C ATOM 544 C MET A 33 -7.597 -10.916 -13.364 1.00 0.00 C ATOM 545 O MET A 33 -6.467 -11.147 -12.940 1.00 0.00 O ATOM 546 CB MET A 33 -8.201 -11.581 -15.690 1.00 0.00 C ATOM 547 CG MET A 33 -8.801 -12.697 -16.550 1.00 0.00 C ATOM 548 SD MET A 33 -7.825 -14.210 -16.352 1.00 0.00 S ATOM 549 CE MET A 33 -8.826 -15.269 -17.424 1.00 0.00 C ATOM 0 H MET A 33 -10.400 -11.612 -14.554 1.00 0.00 H new ATOM 0 HA MET A 33 -7.961 -12.930 -14.049 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.699 -10.636 -15.906 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.147 -11.449 -15.935 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.835 -12.879 -16.258 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.814 -12.395 -17.597 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.397 -16.271 -17.449 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.844 -15.320 -17.037 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.841 -14.855 -18.432 1.00 0.00 H new ATOM 559 N ALA A 34 -8.258 -9.797 -13.113 1.00 0.00 N ATOM 560 CA ALA A 34 -7.686 -8.743 -12.303 1.00 0.00 C ATOM 561 C ALA A 34 -7.385 -9.290 -10.920 1.00 0.00 C ATOM 562 O ALA A 34 -6.368 -8.950 -10.326 1.00 0.00 O ATOM 563 CB ALA A 34 -8.668 -7.559 -12.219 1.00 0.00 C ATOM 0 H ALA A 34 -9.196 -9.599 -13.462 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.760 -8.387 -12.754 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.233 -6.768 -11.608 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.864 -7.177 -13.221 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.603 -7.893 -11.768 1.00 0.00 H new ATOM 569 N LEU A 35 -8.264 -10.145 -10.413 1.00 0.00 N ATOM 570 CA LEU A 35 -8.032 -10.722 -9.101 1.00 0.00 C ATOM 571 C LEU A 35 -6.791 -11.598 -9.139 1.00 0.00 C ATOM 572 O LEU A 35 -6.000 -11.614 -8.196 1.00 0.00 O ATOM 573 CB LEU A 35 -9.234 -11.547 -8.641 1.00 0.00 C ATOM 574 CG LEU A 35 -10.438 -10.633 -8.354 1.00 0.00 C ATOM 575 CD1 LEU A 35 -11.661 -11.495 -8.018 1.00 0.00 C ATOM 576 CD2 LEU A 35 -10.137 -9.672 -7.181 1.00 0.00 C ATOM 0 H LEU A 35 -9.121 -10.446 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.886 -9.908 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.498 -12.275 -9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.975 -12.109 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.640 -10.033 -9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.516 -10.850 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.890 -12.146 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.447 -12.103 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.004 -9.037 -6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.916 -10.251 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.278 -9.050 -7.432 1.00 0.00 H new ATOM 588 N GLN A 36 -6.622 -12.327 -10.235 1.00 0.00 N ATOM 589 CA GLN A 36 -5.471 -13.193 -10.379 1.00 0.00 C ATOM 590 C GLN A 36 -4.208 -12.349 -10.417 1.00 0.00 C ATOM 591 O GLN A 36 -3.197 -12.684 -9.798 1.00 0.00 O ATOM 592 CB GLN A 36 -5.609 -13.993 -11.667 1.00 0.00 C ATOM 593 CG GLN A 36 -6.790 -14.944 -11.529 1.00 0.00 C ATOM 594 CD GLN A 36 -6.448 -16.057 -10.547 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.493 -16.806 -10.762 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.170 -16.207 -9.477 1.00 0.00 N ATOM 0 H GLN A 36 -7.264 -12.333 -11.028 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.411 -13.880 -9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.761 -13.323 -12.513 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.695 -14.553 -11.864 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.668 -14.399 -11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.041 -15.369 -12.501 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.959 -15.585 -9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.947 -16.947 -8.811 1.00 0.00 H new ATOM 605 N GLU A 37 -4.293 -11.232 -11.131 1.00 0.00 N ATOM 606 CA GLU A 37 -3.183 -10.309 -11.235 1.00 0.00 C ATOM 607 C GLU A 37 -2.926 -9.661 -9.887 1.00 0.00 C ATOM 608 O GLU A 37 -1.796 -9.355 -9.538 1.00 0.00 O ATOM 609 CB GLU A 37 -3.505 -9.222 -12.256 1.00 0.00 C ATOM 610 CG GLU A 37 -3.598 -9.838 -13.655 1.00 0.00 C ATOM 611 CD GLU A 37 -2.217 -10.297 -14.114 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.241 -9.851 -13.534 1.00 0.00 O ATOM 613 OE2 GLU A 37 -2.157 -11.089 -15.041 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.126 -10.948 -11.647 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.297 -10.859 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.446 -8.736 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.733 -8.452 -12.238 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.287 -10.683 -13.645 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.000 -9.108 -14.357 1.00 0.00 H new ATOM 620 N ALA A 38 -4.006 -9.414 -9.158 1.00 0.00 N ATOM 621 CA ALA A 38 -3.914 -8.756 -7.856 1.00 0.00 C ATOM 622 C ALA A 38 -3.102 -9.565 -6.856 1.00 0.00 C ATOM 623 O ALA A 38 -2.193 -9.034 -6.219 1.00 0.00 O ATOM 624 CB ALA A 38 -5.321 -8.528 -7.299 1.00 0.00 C ATOM 0 H ALA A 38 -4.955 -9.657 -9.443 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.402 -7.805 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.253 -8.037 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.886 -7.897 -7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.827 -9.487 -7.186 1.00 0.00 H new ATOM 630 N SER A 39 -3.418 -10.844 -6.718 1.00 0.00 N ATOM 631 CA SER A 39 -2.679 -11.676 -5.782 1.00 0.00 C ATOM 632 C SER A 39 -1.258 -11.872 -6.284 1.00 0.00 C ATOM 633 O SER A 39 -0.294 -11.808 -5.525 1.00 0.00 O ATOM 634 CB SER A 39 -3.368 -13.030 -5.619 1.00 0.00 C ATOM 635 OG SER A 39 -4.643 -12.840 -5.023 1.00 0.00 O ATOM 0 H SER A 39 -4.162 -11.319 -7.229 1.00 0.00 H new ATOM 0 HA SER A 39 -2.652 -11.180 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.476 -13.515 -6.589 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.759 -13.688 -5.000 1.00 0.00 H new ATOM 0 HG SER A 39 -5.088 -13.707 -4.919 1.00 0.00 H new ATOM 641 N GLU A 40 -1.154 -12.099 -7.582 1.00 0.00 N ATOM 642 CA GLU A 40 0.129 -12.301 -8.235 1.00 0.00 C ATOM 643 C GLU A 40 1.032 -11.070 -8.117 1.00 0.00 C ATOM 644 O GLU A 40 2.204 -11.180 -7.767 1.00 0.00 O ATOM 645 CB GLU A 40 -0.148 -12.641 -9.710 1.00 0.00 C ATOM 646 CG GLU A 40 1.126 -12.563 -10.547 1.00 0.00 C ATOM 647 CD GLU A 40 2.231 -13.415 -9.932 1.00 0.00 C ATOM 648 OE1 GLU A 40 1.906 -14.396 -9.283 1.00 0.00 O ATOM 649 OE2 GLU A 40 3.388 -13.075 -10.120 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.954 -12.149 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 40 0.663 -13.116 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.571 -13.643 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.891 -11.952 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.921 -12.903 -11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.457 -11.527 -10.618 1.00 0.00 H new ATOM 656 N ALA A 41 0.476 -9.909 -8.419 1.00 0.00 N ATOM 657 CA ALA A 41 1.221 -8.658 -8.359 1.00 0.00 C ATOM 658 C ALA A 41 1.615 -8.341 -6.935 1.00 0.00 C ATOM 659 O ALA A 41 2.721 -7.869 -6.670 1.00 0.00 O ATOM 660 CB ALA A 41 0.374 -7.516 -8.926 1.00 0.00 C ATOM 0 H ALA A 41 -0.496 -9.804 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 41 2.126 -8.768 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.939 -6.585 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.120 -7.732 -9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.541 -7.417 -8.342 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.799 -7.780 5.083 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.320 -6.448 5.330 1.00 0.00 C ATOM 1216 C ALA A 75 -5.743 -5.462 4.335 1.00 0.00 C ATOM 1217 O ALA A 75 -6.388 -4.495 3.935 1.00 0.00 O ATOM 1218 CB ALA A 75 -6.007 -5.990 6.753 1.00 0.00 C ATOM 0 HA ALA A 75 -7.403 -6.486 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.409 -4.989 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.461 -6.679 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.927 -5.975 6.901 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.516 -5.724 3.942 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.836 -4.888 2.992 1.00 0.00 C ATOM 1226 C VAL A 76 -4.465 -5.071 1.625 1.00 0.00 C ATOM 1227 O VAL A 76 -4.662 -4.108 0.885 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.350 -5.240 3.010 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.640 -4.579 1.839 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.731 -4.734 4.330 1.00 0.00 C ATOM 0 H VAL A 76 -3.969 -6.519 4.273 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.932 -3.833 3.250 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.236 -6.321 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.581 -4.837 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.078 -4.928 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.751 -3.497 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.670 -4.981 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.854 -3.653 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.232 -5.210 5.173 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.819 -6.314 1.308 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.474 -6.582 0.037 1.00 0.00 C ATOM 1242 C LEU A 77 -6.852 -5.971 0.052 1.00 0.00 C ATOM 1243 O LEU A 77 -7.317 -5.427 -0.941 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.577 -8.072 -0.241 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.193 -8.637 -0.599 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.296 -10.157 -0.710 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.701 -8.059 -1.949 1.00 0.00 C ATOM 0 H LEU A 77 -4.667 -7.131 1.899 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.872 -6.139 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.974 -8.587 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.274 -8.250 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.482 -8.359 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.320 -10.570 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.628 -10.570 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.014 -10.417 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.720 -8.471 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.405 -8.325 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.631 -6.974 -1.876 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.487 -6.049 1.204 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.793 -5.486 1.385 1.00 0.00 C ATOM 1261 C LYS A 78 -8.744 -4.007 1.063 1.00 0.00 C ATOM 1262 O LYS A 78 -9.605 -3.484 0.368 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.209 -5.729 2.828 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.444 -4.932 3.159 1.00 0.00 C ATOM 1265 CD LYS A 78 -11.017 -5.406 4.493 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.181 -4.506 4.873 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.782 -4.975 6.154 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.107 -6.505 2.034 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.523 -5.948 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.401 -6.791 2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.397 -5.449 3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.201 -3.871 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.187 -5.049 2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.350 -6.441 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.249 -5.376 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.838 -3.476 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.932 -4.514 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.578 -4.357 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.124 -5.951 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.064 -4.945 6.906 1.00 0.00 H new ATOM 1281 N SER A 79 -7.706 -3.347 1.541 1.00 0.00 N ATOM 1282 CA SER A 79 -7.536 -1.936 1.259 1.00 0.00 C ATOM 1283 C SER A 79 -7.414 -1.731 -0.243 1.00 0.00 C ATOM 1284 O SER A 79 -8.051 -0.846 -0.816 1.00 0.00 O ATOM 1285 CB SER A 79 -6.294 -1.418 1.972 1.00 0.00 C ATOM 1286 OG SER A 79 -6.022 -0.089 1.551 1.00 0.00 O ATOM 0 H SER A 79 -6.975 -3.761 2.120 1.00 0.00 H new ATOM 0 HA SER A 79 -8.402 -1.381 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.444 -1.445 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.442 -2.061 1.753 1.00 0.00 H new ATOM 0 HG SER A 79 -5.223 0.243 2.012 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.613 -2.577 -0.881 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.436 -2.506 -2.318 1.00 0.00 C ATOM 1294 C PHE A 80 -7.772 -2.735 -3.023 1.00 0.00 C ATOM 1295 O PHE A 80 -8.175 -1.944 -3.865 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.406 -3.562 -2.757 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.541 -3.826 -4.237 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.198 -2.832 -5.152 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.045 -5.056 -4.687 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.359 -3.057 -6.519 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.201 -5.285 -6.055 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.863 -4.285 -6.975 1.00 0.00 C ATOM 0 H PHE A 80 -6.079 -3.316 -0.423 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.070 -1.516 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.398 -3.215 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.558 -4.486 -2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.808 -1.888 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.312 -5.824 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.096 -2.286 -7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.582 -6.233 -6.404 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.990 -4.458 -8.033 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.451 -3.821 -2.677 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.728 -4.124 -3.303 1.00 0.00 C ATOM 1314 C LEU A 81 -10.720 -2.993 -3.055 1.00 0.00 C ATOM 1315 O LEU A 81 -11.389 -2.541 -3.969 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.314 -5.413 -2.714 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.490 -6.639 -3.139 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.000 -7.863 -2.366 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.616 -6.888 -4.657 1.00 0.00 C ATOM 0 H LEU A 81 -8.144 -4.496 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.559 -4.244 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.334 -5.343 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.346 -5.532 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.439 -6.461 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.425 -8.742 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.885 -7.691 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.053 -8.026 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.024 -7.761 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.661 -7.063 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.252 -6.016 -5.200 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.803 -2.534 -1.813 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.723 -1.457 -1.464 1.00 0.00 C ATOM 1333 C GLU A 82 -11.430 -0.204 -2.276 1.00 0.00 C ATOM 1334 O GLU A 82 -12.327 0.387 -2.871 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.554 -1.140 0.020 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.135 -2.280 0.862 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.648 -2.133 0.995 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.186 -1.192 0.433 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.247 -2.962 1.660 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.248 -2.888 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.742 -1.777 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.498 -1.004 0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.058 -0.204 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.897 -3.238 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.676 -2.280 1.851 1.00 0.00 H new ATOM 1346 N SER A 83 -10.167 0.178 -2.309 1.00 0.00 N ATOM 1347 CA SER A 83 -9.750 1.351 -3.065 1.00 0.00 C ATOM 1348 C SER A 83 -10.005 1.151 -4.545 1.00 0.00 C ATOM 1349 O SER A 83 -10.366 2.085 -5.257 1.00 0.00 O ATOM 1350 CB SER A 83 -8.267 1.623 -2.850 1.00 0.00 C ATOM 1351 OG SER A 83 -7.887 2.772 -3.594 1.00 0.00 O ATOM 0 H SER A 83 -9.411 -0.304 -1.823 1.00 0.00 H new ATOM 0 HA SER A 83 -10.332 2.202 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.064 1.778 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.678 0.761 -3.164 1.00 0.00 H new ATOM 0 HG SER A 83 -6.933 2.950 -3.456 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.785 -0.069 -5.004 1.00 0.00 N ATOM 1358 CA VAL A 84 -9.960 -0.378 -6.405 1.00 0.00 C ATOM 1359 C VAL A 84 -11.389 -0.098 -6.823 1.00 0.00 C ATOM 1360 O VAL A 84 -11.635 0.456 -7.885 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.609 -1.849 -6.668 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -10.046 -2.246 -8.087 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.080 -2.060 -6.516 1.00 0.00 C ATOM 0 H VAL A 84 -9.486 -0.855 -4.427 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.292 0.252 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.133 -2.473 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.794 -3.291 -8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.123 -2.110 -8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.532 -1.619 -8.815 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.837 -3.106 -6.704 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.553 -1.430 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.775 -1.792 -5.504 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.320 -0.493 -5.978 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.723 -0.285 -6.249 1.00 0.00 C ATOM 1375 C ILE A 85 -14.018 1.192 -6.281 1.00 0.00 C ATOM 1376 O ILE A 85 -14.738 1.675 -7.148 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.535 -0.935 -5.153 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.269 -2.435 -5.209 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.033 -0.652 -5.359 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.892 -3.132 -4.005 1.00 0.00 C ATOM 0 H ILE A 85 -12.126 -0.962 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 85 -13.981 -0.724 -7.213 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.251 -0.534 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.680 -2.849 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.195 -2.620 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.606 -1.126 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.206 0.424 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.350 -1.053 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.693 -4.202 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.461 -2.730 -3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -15.969 -2.963 -4.004 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.457 1.910 -5.322 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.674 3.327 -5.258 1.00 0.00 C ATOM 1394 C ARG A 86 -13.140 3.978 -6.517 1.00 0.00 C ATOM 1395 O ARG A 86 -13.752 4.890 -7.067 1.00 0.00 O ATOM 1396 CB ARG A 86 -12.970 3.887 -4.022 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.699 3.398 -2.768 1.00 0.00 C ATOM 1398 CD ARG A 86 -13.115 4.084 -1.531 1.00 0.00 C ATOM 1399 NE ARG A 86 -13.769 3.591 -0.324 1.00 0.00 N ATOM 1400 CZ ARG A 86 -14.947 4.069 0.066 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -15.544 4.990 -0.641 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -15.507 3.615 1.153 1.00 0.00 N1+ ATOM 0 H ARG A 86 -12.856 1.531 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.741 3.539 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.929 3.563 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.964 4.977 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.764 3.615 -2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.600 2.316 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.043 3.896 -1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.246 5.163 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.314 2.866 0.231 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.107 5.343 -1.492 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.448 5.357 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.041 2.894 1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.411 3.981 1.452 1.00 0.00 H new ATOM 1416 N ASP A 87 -12.003 3.487 -6.975 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.389 4.009 -8.180 1.00 0.00 C ATOM 1418 C ASP A 87 -12.122 3.541 -9.430 1.00 0.00 C ATOM 1419 O ASP A 87 -12.177 4.233 -10.443 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.939 3.536 -8.238 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.116 4.246 -7.169 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.594 5.238 -6.642 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -8.023 3.785 -6.889 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.487 2.728 -6.530 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.439 5.097 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.893 2.457 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.521 3.738 -9.224 1.00 0.00 H new ATOM 1428 N SER A 88 -12.647 2.340 -9.344 1.00 0.00 N ATOM 1429 CA SER A 88 -13.346 1.716 -10.464 1.00 0.00 C ATOM 1430 C SER A 88 -14.707 2.325 -10.667 1.00 0.00 C ATOM 1431 O SER A 88 -15.111 2.619 -11.785 1.00 0.00 O ATOM 1432 CB SER A 88 -13.493 0.215 -10.238 1.00 0.00 C ATOM 1433 OG SER A 88 -12.204 -0.377 -10.148 1.00 0.00 O ATOM 0 H SER A 88 -12.606 1.764 -8.503 1.00 0.00 H new ATOM 0 HA SER A 88 -12.748 1.890 -11.358 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.056 0.027 -9.324 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.055 -0.234 -11.057 1.00 0.00 H new ATOM 0 HG SER A 88 -11.934 -0.431 -9.208 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.404 2.532 -9.571 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.706 3.133 -9.628 1.00 0.00 C ATOM 1441 C VAL A 89 -16.509 4.537 -10.137 1.00 0.00 C ATOM 1442 O VAL A 89 -17.297 5.057 -10.907 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.358 3.136 -8.238 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.670 3.906 -8.298 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.632 1.694 -7.787 1.00 0.00 C ATOM 0 H VAL A 89 -15.085 2.291 -8.633 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.371 2.574 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.684 3.612 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.135 3.910 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.476 4.932 -8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.340 3.429 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.095 1.703 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.303 1.212 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.693 1.142 -7.742 1.00 0.00 H new ATOM 1455 N THR A 90 -15.414 5.130 -9.694 1.00 0.00 N ATOM 1456 CA THR A 90 -15.059 6.474 -10.087 1.00 0.00 C ATOM 1457 C THR A 90 -14.830 6.582 -11.594 1.00 0.00 C ATOM 1458 O THR A 90 -15.376 7.470 -12.244 1.00 0.00 O ATOM 1459 CB THR A 90 -13.806 6.895 -9.318 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.126 7.021 -7.940 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.270 8.224 -9.853 1.00 0.00 C ATOM 0 H THR A 90 -14.751 4.692 -9.054 1.00 0.00 H new ATOM 0 HA THR A 90 -15.886 7.142 -9.846 1.00 0.00 H new ATOM 0 HB THR A 90 -13.034 6.137 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 90 -14.151 6.132 -7.527 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.378 8.508 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.018 8.116 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.031 8.996 -9.739 1.00 0.00 H new ATOM 1469 N TYR A 91 -14.035 5.671 -12.145 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.760 5.682 -13.578 1.00 0.00 C ATOM 1471 C TYR A 91 -14.985 5.229 -14.348 1.00 0.00 C ATOM 1472 O TYR A 91 -15.277 5.744 -15.426 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.573 4.768 -13.916 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.258 5.470 -13.614 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.920 6.646 -14.303 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.377 4.954 -12.649 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.714 7.300 -14.028 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.173 5.613 -12.375 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.841 6.784 -13.065 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.653 7.431 -12.792 1.00 0.00 O ATOM 0 H TYR A 91 -13.574 4.923 -11.628 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.507 6.702 -13.866 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.641 3.846 -13.339 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.610 4.489 -14.969 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.593 7.047 -15.047 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.629 4.048 -12.118 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.457 8.204 -14.560 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.499 5.217 -11.630 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.166 6.941 -12.097 1.00 0.00 H new ATOM 1490 N THR A 92 -15.709 4.270 -13.793 1.00 0.00 N ATOM 1491 CA THR A 92 -16.902 3.799 -14.473 1.00 0.00 C ATOM 1492 C THR A 92 -17.934 4.900 -14.430 1.00 0.00 C ATOM 1493 O THR A 92 -18.524 5.255 -15.446 1.00 0.00 O ATOM 1494 CB THR A 92 -17.453 2.542 -13.803 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.636 2.800 -12.434 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.499 1.361 -13.996 1.00 0.00 C ATOM 0 H THR A 92 -15.501 3.816 -12.904 1.00 0.00 H new ATOM 0 HA THR A 92 -16.657 3.545 -15.504 1.00 0.00 H new ATOM 0 HB THR A 92 -18.407 2.280 -14.260 1.00 0.00 H new ATOM 0 HG1 THR A 92 -16.776 2.730 -11.970 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.912 0.477 -13.511 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.373 1.165 -15.061 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.531 1.599 -13.554 1.00 0.00 H new ATOM 1504 N GLU A 93 -18.102 5.490 -13.258 1.00 0.00 N ATOM 1505 CA GLU A 93 -19.028 6.596 -13.124 1.00 0.00 C ATOM 1506 C GLU A 93 -18.574 7.739 -14.013 1.00 0.00 C ATOM 1507 O GLU A 93 -19.391 8.454 -14.592 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.113 7.062 -11.680 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.911 6.043 -10.863 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.393 6.147 -11.206 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.764 7.105 -11.865 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.135 5.267 -10.801 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.617 5.226 -12.400 1.00 0.00 H new ATOM 0 HA GLU A 93 -20.020 6.263 -13.430 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.112 7.175 -11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.592 8.040 -11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.551 5.035 -11.071 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.762 6.221 -9.798 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.257 7.895 -14.136 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.717 8.946 -14.985 1.00 0.00 C ATOM 1521 C HIS A 94 -17.218 8.715 -16.390 1.00 0.00 C ATOM 1522 O HIS A 94 -17.563 9.644 -17.119 1.00 0.00 O ATOM 1523 CB HIS A 94 -15.188 8.928 -14.966 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.661 10.128 -15.702 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.518 10.144 -17.080 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -14.237 11.358 -15.266 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -14.027 11.350 -17.423 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.838 12.128 -16.354 1.00 0.00 N ATOM 0 H HIS A 94 -16.559 7.318 -13.667 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.043 9.919 -14.618 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.827 8.932 -13.938 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.819 8.013 -15.430 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.216 11.679 -14.235 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.812 11.651 -18.438 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.478 13.082 -16.339 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.283 7.443 -16.731 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.775 7.008 -18.028 1.00 0.00 C ATOM 1538 C ALA A 95 -19.192 6.486 -17.857 1.00 0.00 C ATOM 1539 O ALA A 95 -19.657 5.670 -18.636 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.880 5.899 -18.587 1.00 0.00 C ATOM 0 H ALA A 95 -16.997 6.680 -16.118 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.765 7.846 -18.725 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.258 5.581 -19.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.863 6.274 -18.699 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.881 5.051 -17.902 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.860 6.968 -16.802 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.232 6.566 -16.465 1.00 0.00 C ATOM 1548 C LYS A 96 -21.482 5.117 -16.834 1.00 0.00 C ATOM 1549 O LYS A 96 -22.542 4.757 -17.351 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.303 7.470 -17.094 1.00 0.00 C ATOM 1551 CG LYS A 96 -22.015 7.747 -18.579 1.00 0.00 C ATOM 1552 CD LYS A 96 -22.477 6.569 -19.455 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.509 7.003 -20.918 1.00 0.00 C ATOM 1554 NZ LYS A 96 -21.142 7.406 -21.348 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.463 7.650 -16.156 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.320 6.681 -15.385 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -23.281 6.998 -16.995 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.348 8.414 -16.550 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.526 8.659 -18.889 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.948 7.915 -18.722 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -21.801 5.723 -19.331 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -23.466 6.236 -19.142 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -22.872 6.187 -21.542 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -23.202 7.835 -21.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -21.105 7.456 -22.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -20.913 8.338 -20.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.451 6.706 -21.011 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.494 4.296 -16.547 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.561 2.866 -16.819 1.00 0.00 C ATOM 1570 C ARG A 97 -20.861 2.101 -15.544 1.00 0.00 C ATOM 1571 O ARG A 97 -20.639 2.582 -14.433 1.00 0.00 O ATOM 1572 CB ARG A 97 -19.213 2.372 -17.395 1.00 0.00 C ATOM 1573 CG ARG A 97 -19.159 2.562 -18.924 1.00 0.00 C ATOM 1574 CD ARG A 97 -19.807 1.369 -19.642 1.00 0.00 C ATOM 1575 NE ARG A 97 -19.762 1.584 -21.081 1.00 0.00 N ATOM 1576 CZ ARG A 97 -20.286 0.701 -21.925 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -20.860 -0.378 -21.469 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -20.227 0.916 -23.211 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.619 4.596 -16.118 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.357 2.692 -17.543 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.393 2.918 -16.929 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.074 1.319 -17.151 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.674 3.482 -19.200 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.123 2.668 -19.246 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.283 0.448 -19.385 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -20.840 1.251 -19.314 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.321 2.427 -21.448 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.907 -0.545 -20.464 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.262 -1.055 -22.118 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -19.779 1.761 -23.567 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.629 0.239 -23.860 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.358 0.896 -15.728 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.677 0.001 -14.633 1.00 0.00 C ATOM 1594 C LYS A 98 -21.051 -1.351 -14.946 1.00 0.00 C ATOM 1595 O LYS A 98 -21.722 -2.271 -15.413 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.198 -0.121 -14.498 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.856 0.041 -15.873 1.00 0.00 C ATOM 1598 CD LYS A 98 -25.354 -0.070 -15.711 1.00 0.00 C ATOM 1599 CE LYS A 98 -26.027 -0.052 -17.086 1.00 0.00 C ATOM 1600 NZ LYS A 98 -25.741 1.244 -17.762 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.554 0.506 -16.650 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.286 0.380 -13.689 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.458 -1.090 -14.072 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.574 0.639 -13.813 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -23.594 1.006 -16.306 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.493 -0.725 -16.558 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -25.605 -0.991 -15.185 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -25.725 0.755 -15.103 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -25.660 -0.880 -17.693 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -27.103 -0.188 -16.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -26.400 1.374 -18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -25.858 2.023 -17.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -24.765 1.241 -18.120 1.00 0.00 H new ATOM 1614 N THR A 99 -19.746 -1.444 -14.723 1.00 0.00 N ATOM 1615 CA THR A 99 -19.011 -2.664 -15.019 1.00 0.00 C ATOM 1616 C THR A 99 -17.624 -2.637 -14.386 1.00 0.00 C ATOM 1617 O THR A 99 -17.029 -1.571 -14.223 1.00 0.00 O ATOM 1618 CB THR A 99 -18.871 -2.807 -16.536 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.161 -2.829 -17.130 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.133 -4.102 -16.862 1.00 0.00 C ATOM 0 H THR A 99 -19.177 -0.690 -14.339 1.00 0.00 H new ATOM 0 HA THR A 99 -19.561 -3.510 -14.606 1.00 0.00 H new ATOM 0 HB THR A 99 -18.306 -1.962 -16.930 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.820 -3.130 -16.470 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.034 -4.202 -17.943 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.143 -4.081 -16.407 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.694 -4.950 -16.469 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.096 -3.817 -14.056 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.759 -3.920 -13.470 1.00 0.00 C ATOM 1630 C VAL A 100 -14.843 -4.607 -14.471 1.00 0.00 C ATOM 1631 O VAL A 100 -15.132 -5.718 -14.918 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.802 -4.744 -12.180 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.417 -4.748 -11.531 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.822 -4.126 -11.218 1.00 0.00 C ATOM 0 H VAL A 100 -17.571 -4.710 -14.184 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.390 -2.921 -13.235 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.094 -5.769 -12.409 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.447 -5.334 -10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.694 -5.187 -12.219 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.121 -3.725 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.855 -4.710 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.530 -3.102 -10.987 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.808 -4.126 -11.684 1.00 0.00 H new ATOM 1644 N THR A 101 -13.747 -3.945 -14.839 1.00 0.00 N ATOM 1645 CA THR A 101 -12.809 -4.513 -15.811 1.00 0.00 C ATOM 1646 C THR A 101 -11.397 -4.526 -15.256 1.00 0.00 C ATOM 1647 O THR A 101 -11.024 -3.672 -14.455 1.00 0.00 O ATOM 1648 CB THR A 101 -12.828 -3.669 -17.089 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.369 -2.357 -16.793 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.253 -3.592 -17.640 1.00 0.00 C ATOM 0 H THR A 101 -13.487 -3.025 -14.484 1.00 0.00 H new ATOM 0 HA THR A 101 -13.115 -5.537 -16.025 1.00 0.00 H new ATOM 0 HB THR A 101 -12.178 -4.130 -17.833 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.378 -1.815 -17.610 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.260 -2.990 -18.549 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.610 -4.597 -17.867 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.906 -3.134 -16.897 1.00 0.00 H new ATOM 1658 N SER A 102 -10.610 -5.493 -15.712 1.00 0.00 N ATOM 1659 CA SER A 102 -9.229 -5.598 -15.272 1.00 0.00 C ATOM 1660 C SER A 102 -8.475 -4.357 -15.691 1.00 0.00 C ATOM 1661 O SER A 102 -7.414 -4.037 -15.164 1.00 0.00 O ATOM 1662 CB SER A 102 -8.552 -6.822 -15.889 1.00 0.00 C ATOM 1663 OG SER A 102 -8.505 -6.667 -17.302 1.00 0.00 O ATOM 0 H SER A 102 -10.902 -6.207 -16.379 1.00 0.00 H new ATOM 0 HA SER A 102 -9.220 -5.700 -14.187 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.544 -6.935 -15.490 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.101 -7.727 -15.628 1.00 0.00 H new ATOM 0 HG SER A 102 -8.070 -7.449 -17.703 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.038 -3.672 -16.657 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.430 -2.464 -17.165 1.00 0.00 C ATOM 1671 C LEU A 103 -8.535 -1.357 -16.121 1.00 0.00 C ATOM 1672 O LEU A 103 -7.559 -0.683 -15.803 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.140 -2.057 -18.463 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.214 -1.226 -19.369 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -7.649 -0.030 -18.595 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -7.058 -2.092 -19.916 1.00 0.00 C ATOM 0 H LEU A 103 -9.916 -3.930 -17.108 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.374 -2.636 -17.376 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.469 -2.949 -18.996 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.034 -1.480 -18.226 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.801 -0.861 -20.212 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.996 0.550 -19.247 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.469 0.600 -18.250 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.080 -0.388 -17.737 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.417 -1.483 -20.553 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.474 -2.486 -19.085 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.466 -2.919 -20.497 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.722 -1.178 -15.575 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.917 -0.162 -14.567 1.00 0.00 C ATOM 1690 C ASP A 104 -9.048 -0.504 -13.365 1.00 0.00 C ATOM 1691 O ASP A 104 -8.521 0.376 -12.685 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.398 -0.105 -14.180 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.759 1.270 -13.641 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.859 1.981 -13.225 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.934 1.595 -13.662 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.555 -1.717 -15.811 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.630 0.819 -14.946 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.015 -0.334 -15.049 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.612 -0.864 -13.428 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.876 -1.801 -13.141 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.033 -2.274 -12.053 1.00 0.00 C ATOM 1702 C VAL A 105 -6.604 -1.841 -12.321 1.00 0.00 C ATOM 1703 O VAL A 105 -5.900 -1.383 -11.427 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.108 -3.797 -11.961 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.053 -4.307 -10.965 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.512 -4.220 -11.495 1.00 0.00 C ATOM 0 H VAL A 105 -9.307 -2.540 -13.696 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.376 -1.851 -11.109 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.912 -4.228 -12.943 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.108 -5.394 -10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.060 -4.014 -11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.242 -3.876 -9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.562 -5.307 -11.431 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.715 -3.789 -10.515 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.255 -3.864 -12.209 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.195 -1.973 -13.576 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.861 -1.572 -13.979 1.00 0.00 C ATOM 1718 C VAL A 106 -4.667 -0.083 -13.717 1.00 0.00 C ATOM 1719 O VAL A 106 -3.625 0.337 -13.220 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.642 -1.920 -15.461 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.445 -1.151 -16.008 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.364 -3.423 -15.584 1.00 0.00 C ATOM 0 H VAL A 106 -6.769 -2.354 -14.328 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.119 -2.113 -13.392 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.533 -1.650 -16.028 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.299 -1.405 -17.058 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.627 -0.080 -15.915 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.552 -1.417 -15.442 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.207 -3.679 -16.632 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.472 -3.676 -15.011 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.215 -3.983 -15.197 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.683 0.705 -14.030 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.621 2.135 -13.797 1.00 0.00 C ATOM 1734 C TYR A 107 -5.465 2.371 -12.305 1.00 0.00 C ATOM 1735 O TYR A 107 -4.671 3.204 -11.866 1.00 0.00 O ATOM 1736 CB TYR A 107 -6.924 2.779 -14.274 1.00 0.00 C ATOM 1737 CG TYR A 107 -6.887 3.071 -15.757 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.090 2.320 -16.642 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -7.664 4.117 -16.240 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.086 2.631 -18.007 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -7.663 4.429 -17.603 1.00 0.00 C ATOM 1742 CZ TYR A 107 -6.872 3.686 -18.488 1.00 0.00 C ATOM 1743 OH TYR A 107 -6.867 3.994 -19.833 1.00 0.00 O ATOM 0 H TYR A 107 -6.556 0.379 -14.444 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.781 2.570 -14.338 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.761 2.116 -14.053 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.097 3.704 -13.724 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.484 1.507 -16.269 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.273 4.693 -15.558 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.477 2.057 -18.690 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -8.271 5.241 -17.973 1.00 0.00 H new ATOM 0 HH TYR A 107 -7.467 4.751 -19.998 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.239 1.618 -11.540 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.202 1.724 -10.095 1.00 0.00 C ATOM 1755 C ALA A 108 -4.813 1.365 -9.587 1.00 0.00 C ATOM 1756 O ALA A 108 -4.287 2.007 -8.680 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.246 0.803 -9.462 1.00 0.00 C ATOM 0 H ALA A 108 -6.899 0.928 -11.898 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.433 2.752 -9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.203 0.896 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.239 1.085 -9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.041 -0.229 -9.746 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.224 0.335 -10.186 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.893 -0.101 -9.800 1.00 0.00 C ATOM 1765 C LEU A 109 -1.852 0.950 -10.186 1.00 0.00 C ATOM 1766 O LEU A 109 -0.885 1.181 -9.460 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.577 -1.463 -10.471 1.00 0.00 C ATOM 1768 CG LEU A 109 -2.877 -2.648 -9.535 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -2.929 -3.950 -10.347 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -1.773 -2.785 -8.470 1.00 0.00 C ATOM 0 H LEU A 109 -4.648 -0.209 -10.937 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.857 -0.225 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.165 -1.563 -11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.527 -1.488 -10.764 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.835 -2.465 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.142 -4.786 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.713 -3.878 -11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.969 -4.112 -10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.000 -3.627 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.814 -2.954 -8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.722 -1.871 -7.879 1.00 0.00 H new