USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 244 TYR OH : rot 120:sc= -2.85! USER MOD Set 1.2: A 250 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 251 LYS NZ :NH3+ -116:sc= -0.844 (180deg=-1.48) USER MOD Set 2.1: A 183 LYS NZ :NH3+ -169:sc= -0.715 (180deg=-1.4) USER MOD Set 2.2: A 229 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 193 THR OG1 : rot 50:sc= 0.865 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 TYR OH : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 180:sc= -1.38 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.45! USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 245 HIS :FLIP no HE2:sc= -14.2! C(o=-20!,f=-14!) USER MOD Single : A 246 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Single : A 252 CYS SG : rot 180:sc= 0.149 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.720 8.462 -4.847 1.00 0.00 N ATOM 2 CA LYS A 183 -0.514 7.238 -5.665 1.00 0.00 C ATOM 3 C LYS A 183 -0.916 6.050 -4.810 1.00 0.00 C ATOM 4 O LYS A 183 -0.935 6.134 -3.600 1.00 0.00 O ATOM 5 CB LYS A 183 0.968 7.238 -6.015 1.00 0.00 C ATOM 6 CG LYS A 183 1.515 5.799 -6.162 1.00 0.00 C ATOM 7 CD LYS A 183 1.938 5.598 -7.606 1.00 0.00 C ATOM 8 CE LYS A 183 3.450 5.796 -7.734 1.00 0.00 C ATOM 9 NZ LYS A 183 3.700 7.177 -7.232 1.00 0.00 N ATOM 0 HA LYS A 183 -1.104 7.196 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.123 7.784 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.526 7.763 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.361 5.644 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.752 5.072 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.663 4.597 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.413 6.304 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.996 5.057 -7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.777 5.686 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.676 7.457 -7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.036 7.837 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.562 7.202 -6.201 1.00 0.00 H new ATOM 23 N ILE A 184 -1.238 4.946 -5.405 1.00 0.00 N ATOM 24 CA ILE A 184 -1.626 3.792 -4.579 1.00 0.00 C ATOM 25 C ILE A 184 -0.853 2.545 -5.010 1.00 0.00 C ATOM 26 O ILE A 184 -0.226 2.519 -6.049 1.00 0.00 O ATOM 27 CB ILE A 184 -3.126 3.607 -4.808 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.398 3.468 -6.308 1.00 0.00 C ATOM 29 CG2 ILE A 184 -3.882 4.820 -4.265 1.00 0.00 C ATOM 30 CD1 ILE A 184 -4.270 2.235 -6.554 1.00 0.00 C ATOM 0 H ILE A 184 -1.249 4.796 -6.414 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.401 3.953 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.463 2.709 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -3.898 4.361 -6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.458 3.377 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.951 4.686 -4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.689 4.921 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.546 5.719 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.465 2.134 -7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.753 1.346 -6.194 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.215 2.345 -6.022 1.00 0.00 H new ATOM 42 N PHE A 185 -0.896 1.507 -4.222 1.00 0.00 N ATOM 43 CA PHE A 185 -0.166 0.266 -4.597 1.00 0.00 C ATOM 44 C PHE A 185 -1.123 -0.929 -4.582 1.00 0.00 C ATOM 45 O PHE A 185 -1.908 -1.103 -3.673 1.00 0.00 O ATOM 46 CB PHE A 185 0.968 0.142 -3.562 1.00 0.00 C ATOM 47 CG PHE A 185 1.066 -1.260 -2.992 1.00 0.00 C ATOM 48 CD1 PHE A 185 1.119 -2.368 -3.847 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.108 -1.445 -1.606 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.213 -3.660 -3.314 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.202 -2.736 -1.073 1.00 0.00 C ATOM 52 CZ PHE A 185 1.254 -3.843 -1.928 1.00 0.00 C ATOM 0 H PHE A 185 -1.403 1.465 -3.338 1.00 0.00 H new ATOM 0 HA PHE A 185 0.244 0.295 -5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.916 0.411 -4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.799 0.852 -2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 185 1.087 -2.226 -4.917 1.00 0.00 H new ATOM 0 HD2 PHE A 185 1.068 -0.591 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.254 -4.515 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.234 -2.878 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.326 -4.839 -1.517 1.00 0.00 H new ATOM 62 N VAL A 186 -1.059 -1.749 -5.594 1.00 0.00 N ATOM 63 CA VAL A 186 -1.962 -2.930 -5.657 1.00 0.00 C ATOM 64 C VAL A 186 -1.165 -4.223 -5.497 1.00 0.00 C ATOM 65 O VAL A 186 -0.264 -4.504 -6.264 1.00 0.00 O ATOM 66 CB VAL A 186 -2.578 -2.882 -7.051 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.579 -4.034 -7.212 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.298 -1.545 -7.253 1.00 0.00 C ATOM 0 H VAL A 186 -0.418 -1.651 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.710 -2.908 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.788 -2.982 -7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -4.018 -3.998 -8.209 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -3.064 -4.985 -7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.367 -3.938 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.737 -1.515 -8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.086 -1.440 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.585 -0.728 -7.146 1.00 0.00 H new ATOM 78 N GLY A 187 -1.495 -5.023 -4.524 1.00 0.00 N ATOM 79 CA GLY A 187 -0.756 -6.302 -4.351 1.00 0.00 C ATOM 80 C GLY A 187 -1.535 -7.409 -5.045 1.00 0.00 C ATOM 81 O GLY A 187 -1.792 -8.459 -4.491 1.00 0.00 O ATOM 0 H GLY A 187 -2.238 -4.849 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.245 -6.221 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.637 -6.530 -3.292 1.00 0.00 H new ATOM 148 N THR A 193 -0.862 -6.380 -16.241 1.00 0.00 N ATOM 149 CA THR A 193 -1.193 -5.009 -15.739 1.00 0.00 C ATOM 150 C THR A 193 -2.227 -4.345 -16.665 1.00 0.00 C ATOM 151 O THR A 193 -1.874 -3.799 -17.692 1.00 0.00 O ATOM 152 CB THR A 193 0.142 -4.259 -15.783 1.00 0.00 C ATOM 153 OG1 THR A 193 0.679 -4.329 -17.097 1.00 0.00 O ATOM 154 CG2 THR A 193 1.122 -4.900 -14.796 1.00 0.00 C ATOM 0 HA THR A 193 -1.628 -5.015 -14.740 1.00 0.00 H new ATOM 0 HB THR A 193 -0.017 -3.216 -15.509 1.00 0.00 H new ATOM 0 HG1 THR A 193 -0.010 -4.075 -17.746 1.00 0.00 H new ATOM 0 HG21 THR A 193 2.072 -4.366 -14.828 1.00 0.00 H new ATOM 0 HG22 THR A 193 0.710 -4.848 -13.788 1.00 0.00 H new ATOM 0 HG23 THR A 193 1.283 -5.943 -15.069 1.00 0.00 H new ATOM 162 N PRO A 194 -3.481 -4.445 -16.285 1.00 0.00 N ATOM 163 CA PRO A 194 -4.589 -3.882 -17.102 1.00 0.00 C ATOM 164 C PRO A 194 -4.644 -2.348 -17.042 1.00 0.00 C ATOM 165 O PRO A 194 -5.686 -1.786 -16.817 1.00 0.00 O ATOM 166 CB PRO A 194 -5.829 -4.476 -16.423 1.00 0.00 C ATOM 167 CG PRO A 194 -5.373 -5.341 -15.231 1.00 0.00 C ATOM 168 CD PRO A 194 -3.868 -5.131 -15.029 1.00 0.00 C ATOM 0 HA PRO A 194 -4.487 -4.121 -18.161 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.490 -3.680 -16.081 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.396 -5.079 -17.132 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -5.919 -5.063 -14.330 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.587 -6.393 -15.422 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.655 -4.523 -14.150 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.338 -6.075 -14.900 1.00 0.00 H new ATOM 176 N GLU A 195 -3.545 -1.672 -17.243 1.00 0.00 N ATOM 177 CA GLU A 195 -3.549 -0.176 -17.196 1.00 0.00 C ATOM 178 C GLU A 195 -4.814 0.396 -17.789 1.00 0.00 C ATOM 179 O GLU A 195 -5.600 1.012 -17.114 1.00 0.00 O ATOM 180 CB GLU A 195 -2.415 0.276 -18.100 1.00 0.00 C ATOM 181 CG GLU A 195 -1.405 1.094 -17.295 1.00 0.00 C ATOM 182 CD GLU A 195 -0.917 2.275 -18.137 1.00 0.00 C ATOM 183 OE1 GLU A 195 -1.702 2.779 -18.924 1.00 0.00 O ATOM 184 OE2 GLU A 195 0.231 2.653 -17.981 1.00 0.00 O ATOM 0 H GLU A 195 -2.637 -2.093 -17.439 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.459 0.152 -16.160 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -1.924 -0.590 -18.544 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -2.809 0.874 -18.921 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -1.864 1.455 -16.375 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -0.562 0.467 -17.005 1.00 0.00 H new ATOM 191 N GLU A 196 -5.000 0.234 -19.062 1.00 0.00 N ATOM 192 CA GLU A 196 -6.197 0.823 -19.682 1.00 0.00 C ATOM 193 C GLU A 196 -7.413 0.476 -18.832 1.00 0.00 C ATOM 194 O GLU A 196 -8.263 1.303 -18.559 1.00 0.00 O ATOM 195 CB GLU A 196 -6.293 0.204 -21.077 1.00 0.00 C ATOM 196 CG GLU A 196 -6.564 1.302 -22.108 1.00 0.00 C ATOM 197 CD GLU A 196 -5.416 1.348 -23.118 1.00 0.00 C ATOM 198 OE1 GLU A 196 -4.834 0.306 -23.371 1.00 0.00 O ATOM 199 OE2 GLU A 196 -5.138 2.424 -23.621 1.00 0.00 O ATOM 0 H GLU A 196 -4.379 -0.276 -19.691 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.147 1.910 -19.753 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.366 -0.316 -21.320 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.091 -0.538 -21.103 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -7.506 1.109 -22.621 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -6.663 2.267 -21.610 1.00 0.00 H new ATOM 206 N LYS A 197 -7.470 -0.740 -18.375 1.00 0.00 N ATOM 207 CA LYS A 197 -8.600 -1.152 -17.498 1.00 0.00 C ATOM 208 C LYS A 197 -8.377 -0.527 -16.122 1.00 0.00 C ATOM 209 O LYS A 197 -9.303 -0.229 -15.394 1.00 0.00 O ATOM 210 CB LYS A 197 -8.523 -2.677 -17.426 1.00 0.00 C ATOM 211 CG LYS A 197 -9.520 -3.286 -18.414 1.00 0.00 C ATOM 212 CD LYS A 197 -9.090 -4.713 -18.761 1.00 0.00 C ATOM 213 CE LYS A 197 -9.169 -4.915 -20.276 1.00 0.00 C ATOM 214 NZ LYS A 197 -8.547 -6.246 -20.519 1.00 0.00 N ATOM 0 H LYS A 197 -6.783 -1.468 -18.570 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.576 -0.834 -17.864 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.512 -3.012 -17.660 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.745 -3.015 -16.414 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.520 -3.292 -17.980 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -9.568 -2.680 -19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -8.073 -4.893 -18.412 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -9.733 -5.432 -18.253 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.202 -4.892 -20.624 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -8.636 -4.127 -20.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -8.564 -6.456 -21.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -7.563 -6.236 -20.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -9.080 -6.977 -20.006 1.00 0.00 H new ATOM 228 N ILE A 198 -7.136 -0.308 -15.787 1.00 0.00 N ATOM 229 CA ILE A 198 -6.792 0.319 -14.489 1.00 0.00 C ATOM 230 C ILE A 198 -7.351 1.743 -14.490 1.00 0.00 C ATOM 231 O ILE A 198 -8.112 2.127 -13.631 1.00 0.00 O ATOM 232 CB ILE A 198 -5.243 0.284 -14.433 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.811 -0.315 -13.101 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.646 1.695 -14.525 1.00 0.00 C ATOM 235 CD1 ILE A 198 -5.260 -1.774 -13.017 1.00 0.00 C ATOM 0 H ILE A 198 -6.334 -0.543 -16.372 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.209 -0.185 -13.617 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.890 -0.310 -15.276 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.728 -0.252 -12.998 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.243 0.255 -12.279 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.559 1.633 -14.483 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -4.947 2.157 -15.465 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -5.008 2.298 -13.692 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -4.948 -2.196 -12.062 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.346 -1.826 -13.099 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -4.807 -2.341 -13.830 1.00 0.00 H new ATOM 247 N ARG A 199 -6.992 2.510 -15.474 1.00 0.00 N ATOM 248 CA ARG A 199 -7.514 3.898 -15.567 1.00 0.00 C ATOM 249 C ARG A 199 -9.036 3.850 -15.491 1.00 0.00 C ATOM 250 O ARG A 199 -9.669 4.690 -14.886 1.00 0.00 O ATOM 251 CB ARG A 199 -7.044 4.402 -16.938 1.00 0.00 C ATOM 252 CG ARG A 199 -5.771 5.235 -16.765 1.00 0.00 C ATOM 253 CD ARG A 199 -4.622 4.580 -17.535 1.00 0.00 C ATOM 254 NE ARG A 199 -4.773 5.063 -18.936 1.00 0.00 N ATOM 255 CZ ARG A 199 -4.007 6.021 -19.383 1.00 0.00 C ATOM 256 NH1 ARG A 199 -2.719 5.976 -19.179 1.00 0.00 N ATOM 257 NH2 ARG A 199 -4.530 7.023 -20.034 1.00 0.00 N ATOM 0 H ARG A 199 -6.356 2.235 -16.223 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.165 4.551 -14.767 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -6.853 3.559 -17.602 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -7.825 5.003 -17.404 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -5.935 6.249 -17.129 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -5.516 5.313 -15.708 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -3.655 4.866 -17.121 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -4.681 3.493 -17.484 1.00 0.00 H new ATOM 0 HE ARG A 199 -5.475 4.645 -19.546 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -2.310 5.192 -18.670 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -2.121 6.725 -19.528 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -5.537 7.058 -20.194 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -3.932 7.772 -20.384 1.00 0.00 H new ATOM 271 N GLU A 200 -9.629 2.853 -16.088 1.00 0.00 N ATOM 272 CA GLU A 200 -11.112 2.732 -16.034 1.00 0.00 C ATOM 273 C GLU A 200 -11.563 2.540 -14.608 1.00 0.00 C ATOM 274 O GLU A 200 -12.592 3.045 -14.206 1.00 0.00 O ATOM 275 CB GLU A 200 -11.454 1.514 -16.891 1.00 0.00 C ATOM 276 CG GLU A 200 -11.445 1.911 -18.369 1.00 0.00 C ATOM 277 CD GLU A 200 -12.831 1.674 -18.972 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.607 0.961 -18.358 1.00 0.00 O ATOM 279 OE2 GLU A 200 -13.091 2.208 -20.037 1.00 0.00 O ATOM 0 H GLU A 200 -9.151 2.118 -16.610 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.614 3.626 -16.404 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.732 0.717 -16.713 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.434 1.125 -16.614 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -11.167 2.960 -18.473 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -10.698 1.328 -18.908 1.00 0.00 H new ATOM 286 N TYR A 201 -10.821 1.832 -13.823 1.00 0.00 N ATOM 287 CA TYR A 201 -11.271 1.665 -12.434 1.00 0.00 C ATOM 288 C TYR A 201 -10.668 2.762 -11.568 1.00 0.00 C ATOM 289 O TYR A 201 -11.346 3.671 -11.134 1.00 0.00 O ATOM 290 CB TYR A 201 -10.773 0.298 -11.982 1.00 0.00 C ATOM 291 CG TYR A 201 -11.748 -0.290 -10.994 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.096 -0.429 -11.342 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.305 -0.698 -9.731 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.003 -0.974 -10.426 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.211 -1.243 -8.815 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.561 -1.381 -9.162 1.00 0.00 C ATOM 297 OH TYR A 201 -14.454 -1.919 -8.258 1.00 0.00 O ATOM 0 H TYR A 201 -9.945 1.373 -14.075 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.356 1.731 -12.350 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.665 -0.364 -12.841 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -9.787 0.391 -11.526 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.437 -0.116 -12.318 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.264 -0.592 -9.463 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.044 -1.080 -10.694 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -11.869 -1.557 -7.840 1.00 0.00 H new ATOM 0 HH TYR A 201 -13.983 -2.150 -7.430 1.00 0.00 H new ATOM 307 N PHE A 202 -9.389 2.686 -11.322 1.00 0.00 N ATOM 308 CA PHE A 202 -8.745 3.729 -10.494 1.00 0.00 C ATOM 309 C PHE A 202 -8.993 5.086 -11.138 1.00 0.00 C ATOM 310 O PHE A 202 -9.479 6.010 -10.509 1.00 0.00 O ATOM 311 CB PHE A 202 -7.244 3.400 -10.487 1.00 0.00 C ATOM 312 CG PHE A 202 -7.008 2.001 -9.978 1.00 0.00 C ATOM 313 CD1 PHE A 202 -6.869 1.760 -8.605 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.909 0.945 -10.887 1.00 0.00 C ATOM 315 CE1 PHE A 202 -6.632 0.457 -8.145 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.672 -0.355 -10.428 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.533 -0.598 -9.057 1.00 0.00 C ATOM 0 H PHE A 202 -8.770 1.949 -11.659 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.138 3.758 -9.478 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.840 3.499 -11.495 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.713 4.115 -9.859 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -6.944 2.577 -7.902 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -7.016 1.132 -11.945 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -6.526 0.268 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.596 -1.171 -11.132 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.349 -1.602 -8.703 1.00 0.00 H new ATOM 327 N GLY A 203 -8.699 5.207 -12.402 1.00 0.00 N ATOM 328 CA GLY A 203 -8.962 6.491 -13.089 1.00 0.00 C ATOM 329 C GLY A 203 -10.442 6.806 -12.904 1.00 0.00 C ATOM 330 O GLY A 203 -10.871 7.939 -13.003 1.00 0.00 O ATOM 0 H GLY A 203 -8.290 4.474 -12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.344 7.285 -12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.713 6.419 -14.148 1.00 0.00 H new ATOM 334 N GLY A 204 -11.224 5.798 -12.609 1.00 0.00 N ATOM 335 CA GLY A 204 -12.675 6.013 -12.384 1.00 0.00 C ATOM 336 C GLY A 204 -12.860 6.775 -11.073 1.00 0.00 C ATOM 337 O GLY A 204 -13.612 7.727 -11.001 1.00 0.00 O ATOM 0 H GLY A 204 -10.912 4.831 -12.515 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.106 6.575 -13.212 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.197 5.057 -12.342 1.00 0.00 H new ATOM 341 N PHE A 205 -12.169 6.376 -10.033 1.00 0.00 N ATOM 342 CA PHE A 205 -12.310 7.109 -8.740 1.00 0.00 C ATOM 343 C PHE A 205 -11.988 8.581 -8.969 1.00 0.00 C ATOM 344 O PHE A 205 -12.586 9.468 -8.393 1.00 0.00 O ATOM 345 CB PHE A 205 -11.277 6.480 -7.808 1.00 0.00 C ATOM 346 CG PHE A 205 -11.747 5.110 -7.406 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.466 4.010 -8.223 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.466 4.940 -6.220 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.908 2.735 -7.851 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.907 3.669 -5.845 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.629 2.564 -6.661 1.00 0.00 C ATOM 0 H PHE A 205 -11.523 5.586 -10.024 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.316 7.045 -8.324 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.310 6.414 -8.308 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -11.138 7.104 -6.925 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.909 4.144 -9.139 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.681 5.792 -5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.694 1.884 -8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.461 3.538 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.970 1.581 -6.373 1.00 0.00 H new ATOM 361 N GLY A 206 -11.041 8.832 -9.821 1.00 0.00 N ATOM 362 CA GLY A 206 -10.643 10.228 -10.132 1.00 0.00 C ATOM 363 C GLY A 206 -9.615 10.175 -11.254 1.00 0.00 C ATOM 364 O GLY A 206 -8.761 9.312 -11.265 1.00 0.00 O ATOM 0 H GLY A 206 -10.516 8.117 -10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.510 10.815 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -10.223 10.712 -9.250 1.00 0.00 H new ATOM 368 N GLU A 207 -9.690 11.065 -12.205 1.00 0.00 N ATOM 369 CA GLU A 207 -8.705 11.023 -13.320 1.00 0.00 C ATOM 370 C GLU A 207 -7.314 10.722 -12.770 1.00 0.00 C ATOM 371 O GLU A 207 -6.939 11.181 -11.710 1.00 0.00 O ATOM 372 CB GLU A 207 -8.738 12.405 -13.963 1.00 0.00 C ATOM 373 CG GLU A 207 -8.468 13.472 -12.901 1.00 0.00 C ATOM 374 CD GLU A 207 -7.360 14.407 -13.387 1.00 0.00 C ATOM 375 OE1 GLU A 207 -7.161 14.480 -14.589 1.00 0.00 O ATOM 376 OE2 GLU A 207 -6.730 15.033 -12.552 1.00 0.00 O ATOM 0 H GLU A 207 -10.383 11.812 -12.258 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.946 10.246 -14.045 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.990 12.467 -14.754 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.709 12.578 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -9.377 14.040 -12.702 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -8.175 13.001 -11.963 1.00 0.00 H new ATOM 383 N VAL A 208 -6.558 9.940 -13.475 1.00 0.00 N ATOM 384 CA VAL A 208 -5.205 9.585 -12.995 1.00 0.00 C ATOM 385 C VAL A 208 -4.150 10.428 -13.702 1.00 0.00 C ATOM 386 O VAL A 208 -4.307 10.810 -14.844 1.00 0.00 O ATOM 387 CB VAL A 208 -5.042 8.112 -13.381 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.558 7.734 -13.397 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.784 7.240 -12.368 1.00 0.00 C ATOM 0 H VAL A 208 -6.822 9.529 -14.370 1.00 0.00 H new ATOM 0 HA VAL A 208 -5.085 9.758 -11.926 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.457 7.953 -14.376 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.453 6.685 -13.673 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -3.032 8.354 -14.123 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -3.131 7.894 -12.407 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.670 6.190 -12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.369 7.405 -11.373 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.842 7.502 -12.368 1.00 0.00 H new ATOM 399 N GLU A 209 -3.053 10.671 -13.052 1.00 0.00 N ATOM 400 CA GLU A 209 -1.970 11.430 -13.713 1.00 0.00 C ATOM 401 C GLU A 209 -1.127 10.400 -14.448 1.00 0.00 C ATOM 402 O GLU A 209 -0.942 10.466 -15.647 1.00 0.00 O ATOM 403 CB GLU A 209 -1.177 12.094 -12.584 1.00 0.00 C ATOM 404 CG GLU A 209 -0.310 13.216 -13.160 1.00 0.00 C ATOM 405 CD GLU A 209 -1.205 14.267 -13.819 1.00 0.00 C ATOM 406 OE1 GLU A 209 -2.182 14.655 -13.200 1.00 0.00 O ATOM 407 OE2 GLU A 209 -0.898 14.667 -14.928 1.00 0.00 O ATOM 0 H GLU A 209 -2.861 10.377 -12.094 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.311 12.190 -14.416 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.858 12.495 -11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.550 11.356 -12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.284 13.674 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 209 0.390 12.810 -13.890 1.00 0.00 H new ATOM 414 N SER A 210 -0.670 9.408 -13.736 1.00 0.00 N ATOM 415 CA SER A 210 0.097 8.323 -14.377 1.00 0.00 C ATOM 416 C SER A 210 -0.078 7.071 -13.534 1.00 0.00 C ATOM 417 O SER A 210 -0.643 7.119 -12.465 1.00 0.00 O ATOM 418 CB SER A 210 1.553 8.787 -14.388 1.00 0.00 C ATOM 419 OG SER A 210 1.697 9.907 -13.525 1.00 0.00 O ATOM 0 H SER A 210 -0.800 9.309 -12.729 1.00 0.00 H new ATOM 0 HA SER A 210 -0.231 8.101 -15.392 1.00 0.00 H new ATOM 0 HB2 SER A 210 2.207 7.977 -14.064 1.00 0.00 H new ATOM 0 HB3 SER A 210 1.854 9.053 -15.401 1.00 0.00 H new ATOM 0 HG SER A 210 2.630 10.205 -13.529 1.00 0.00 H new ATOM 425 N ILE A 211 0.406 5.957 -13.971 1.00 0.00 N ATOM 426 CA ILE A 211 0.260 4.744 -13.133 1.00 0.00 C ATOM 427 C ILE A 211 1.630 4.140 -12.869 1.00 0.00 C ATOM 428 O ILE A 211 2.651 4.715 -13.195 1.00 0.00 O ATOM 429 CB ILE A 211 -0.615 3.773 -13.918 1.00 0.00 C ATOM 430 CG1 ILE A 211 -0.076 3.600 -15.343 1.00 0.00 C ATOM 431 CG2 ILE A 211 -2.044 4.316 -13.980 1.00 0.00 C ATOM 432 CD1 ILE A 211 1.261 2.857 -15.308 1.00 0.00 C ATOM 0 H ILE A 211 0.891 5.829 -14.859 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.193 4.973 -12.168 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.606 2.805 -13.417 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -0.794 3.046 -15.948 1.00 0.00 H new ATOM 0 HG13 ILE A 211 0.052 4.575 -15.813 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.672 3.624 -14.541 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.436 4.424 -12.969 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -2.043 5.287 -14.475 1.00 0.00 H new ATOM 0 HD11 ILE A 211 1.638 2.738 -16.324 1.00 0.00 H new ATOM 0 HD12 ILE A 211 1.979 3.428 -14.719 1.00 0.00 H new ATOM 0 HD13 ILE A 211 1.120 1.875 -14.856 1.00 0.00 H new ATOM 444 N GLU A 212 1.663 2.988 -12.285 1.00 0.00 N ATOM 445 CA GLU A 212 2.964 2.338 -11.998 1.00 0.00 C ATOM 446 C GLU A 212 2.776 0.826 -12.023 1.00 0.00 C ATOM 447 O GLU A 212 1.964 0.287 -11.310 1.00 0.00 O ATOM 448 CB GLU A 212 3.332 2.824 -10.600 1.00 0.00 C ATOM 449 CG GLU A 212 4.551 2.049 -10.091 1.00 0.00 C ATOM 450 CD GLU A 212 5.741 2.300 -11.017 1.00 0.00 C ATOM 451 OE1 GLU A 212 5.809 1.654 -12.050 1.00 0.00 O ATOM 452 OE2 GLU A 212 6.563 3.136 -10.680 1.00 0.00 O ATOM 0 H GLU A 212 0.841 2.461 -11.990 1.00 0.00 H new ATOM 0 HA GLU A 212 3.742 2.579 -12.722 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.550 3.892 -10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.490 2.684 -9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.795 2.361 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.326 0.983 -10.051 1.00 0.00 H new ATOM 459 N LEU A 213 3.492 0.126 -12.844 1.00 0.00 N ATOM 460 CA LEU A 213 3.289 -1.343 -12.878 1.00 0.00 C ATOM 461 C LEU A 213 4.395 -2.066 -12.133 1.00 0.00 C ATOM 462 O LEU A 213 5.343 -1.453 -11.682 1.00 0.00 O ATOM 463 CB LEU A 213 3.283 -1.730 -14.350 1.00 0.00 C ATOM 464 CG LEU A 213 1.912 -1.421 -14.978 1.00 0.00 C ATOM 465 CD1 LEU A 213 0.785 -1.690 -13.970 1.00 0.00 C ATOM 466 CD2 LEU A 213 1.870 0.050 -15.397 1.00 0.00 C ATOM 0 H LEU A 213 4.197 0.495 -13.483 1.00 0.00 H new ATOM 0 HA LEU A 213 2.357 -1.624 -12.388 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.064 -1.185 -14.880 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.508 -2.791 -14.455 1.00 0.00 H new ATOM 0 HG LEU A 213 1.770 -2.064 -15.846 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.177 -1.466 -14.431 1.00 0.00 H new ATOM 0 HD12 LEU A 213 0.808 -2.737 -13.669 1.00 0.00 H new ATOM 0 HD13 LEU A 213 0.923 -1.058 -13.093 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.901 0.274 -15.843 1.00 0.00 H new ATOM 0 HD22 LEU A 213 2.022 0.682 -14.522 1.00 0.00 H new ATOM 0 HD23 LEU A 213 2.657 0.243 -16.125 1.00 0.00 H new ATOM 478 N PRO A 214 4.221 -3.353 -11.991 1.00 0.00 N ATOM 479 CA PRO A 214 5.197 -4.151 -11.255 1.00 0.00 C ATOM 480 C PRO A 214 6.503 -4.282 -12.046 1.00 0.00 C ATOM 481 O PRO A 214 6.950 -5.370 -12.348 1.00 0.00 O ATOM 482 CB PRO A 214 4.488 -5.503 -11.108 1.00 0.00 C ATOM 483 CG PRO A 214 3.107 -5.399 -11.783 1.00 0.00 C ATOM 484 CD PRO A 214 3.051 -4.071 -12.544 1.00 0.00 C ATOM 0 HA PRO A 214 5.485 -3.716 -10.298 1.00 0.00 H new ATOM 0 HB2 PRO A 214 5.078 -6.294 -11.570 1.00 0.00 H new ATOM 0 HB3 PRO A 214 4.378 -5.762 -10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 214 2.952 -6.236 -12.464 1.00 0.00 H new ATOM 0 HG3 PRO A 214 2.314 -5.444 -11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 214 3.131 -4.214 -13.622 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.119 -3.535 -12.362 1.00 0.00 H new ATOM 662 N PHE A 225 4.394 -6.112 -6.962 1.00 0.00 N ATOM 663 CA PHE A 225 3.055 -5.430 -7.017 1.00 0.00 C ATOM 664 C PHE A 225 3.002 -4.377 -8.123 1.00 0.00 C ATOM 665 O PHE A 225 3.964 -4.125 -8.816 1.00 0.00 O ATOM 666 CB PHE A 225 2.861 -4.763 -5.646 1.00 0.00 C ATOM 667 CG PHE A 225 4.161 -4.177 -5.130 1.00 0.00 C ATOM 668 CD1 PHE A 225 5.031 -3.494 -5.994 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.492 -4.319 -3.777 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.227 -2.957 -5.499 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.688 -3.784 -3.286 1.00 0.00 C ATOM 672 CZ PHE A 225 6.555 -3.102 -4.147 1.00 0.00 C ATOM 0 HA PHE A 225 2.269 -6.152 -7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.111 -3.976 -5.725 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.481 -5.495 -4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.779 -3.383 -7.038 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.823 -4.843 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.897 -2.430 -6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 225 5.942 -3.897 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.477 -2.688 -3.768 1.00 0.00 H new ATOM 682 N CYS A 226 1.863 -3.763 -8.280 1.00 0.00 N ATOM 683 CA CYS A 226 1.686 -2.716 -9.331 1.00 0.00 C ATOM 684 C CYS A 226 1.090 -1.446 -8.688 1.00 0.00 C ATOM 685 O CYS A 226 -0.006 -1.478 -8.165 1.00 0.00 O ATOM 686 CB CYS A 226 0.683 -3.314 -10.331 1.00 0.00 C ATOM 687 SG CYS A 226 -0.593 -4.281 -9.481 1.00 0.00 S ATOM 0 H CYS A 226 1.032 -3.944 -7.716 1.00 0.00 H new ATOM 0 HA CYS A 226 2.626 -2.443 -9.811 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.215 -2.513 -10.904 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.210 -3.949 -11.043 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.422 -4.768 -10.355 1.00 0.00 H new ATOM 693 N PHE A 227 1.779 -0.331 -8.721 1.00 0.00 N ATOM 694 CA PHE A 227 1.202 0.913 -8.104 1.00 0.00 C ATOM 695 C PHE A 227 0.478 1.750 -9.166 1.00 0.00 C ATOM 696 O PHE A 227 0.224 1.313 -10.268 1.00 0.00 O ATOM 697 CB PHE A 227 2.385 1.740 -7.558 1.00 0.00 C ATOM 698 CG PHE A 227 2.975 1.151 -6.293 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.195 -0.227 -6.168 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.334 2.013 -5.245 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.767 -0.739 -4.992 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.910 1.500 -4.077 1.00 0.00 C ATOM 703 CZ PHE A 227 4.127 0.124 -3.949 1.00 0.00 C ATOM 0 H PHE A 227 2.702 -0.225 -9.141 1.00 0.00 H new ATOM 0 HA PHE A 227 0.492 0.647 -7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.161 1.804 -8.321 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.050 2.758 -7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.925 -0.894 -6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.165 3.075 -5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.930 -1.802 -4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 227 4.187 2.167 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.571 -0.272 -3.048 1.00 0.00 H new ATOM 713 N ILE A 228 0.173 2.969 -8.825 1.00 0.00 N ATOM 714 CA ILE A 228 -0.504 3.904 -9.769 1.00 0.00 C ATOM 715 C ILE A 228 -0.425 5.305 -9.142 1.00 0.00 C ATOM 716 O ILE A 228 -0.602 5.448 -7.950 1.00 0.00 O ATOM 717 CB ILE A 228 -1.959 3.422 -9.858 1.00 0.00 C ATOM 718 CG1 ILE A 228 -2.051 2.293 -10.901 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.863 4.596 -10.263 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.441 2.267 -11.548 1.00 0.00 C ATOM 0 H ILE A 228 0.369 3.368 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.057 3.934 -10.763 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.287 3.044 -8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.290 2.436 -11.668 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.848 1.334 -10.425 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.896 4.255 -10.326 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.787 5.387 -9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.548 4.980 -11.233 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.486 1.462 -12.282 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.197 2.100 -10.780 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.630 3.220 -12.042 1.00 0.00 H new ATOM 732 N THR A 229 -0.151 6.342 -9.890 1.00 0.00 N ATOM 733 CA THR A 229 -0.063 7.683 -9.244 1.00 0.00 C ATOM 734 C THR A 229 -1.167 8.593 -9.756 1.00 0.00 C ATOM 735 O THR A 229 -1.529 8.569 -10.914 1.00 0.00 O ATOM 736 CB THR A 229 1.315 8.231 -9.625 1.00 0.00 C ATOM 737 OG1 THR A 229 1.643 9.315 -8.768 1.00 0.00 O ATOM 738 CG2 THR A 229 1.298 8.713 -11.076 1.00 0.00 C ATOM 0 H THR A 229 0.012 6.321 -10.897 1.00 0.00 H new ATOM 0 HA THR A 229 -0.184 7.622 -8.163 1.00 0.00 H new ATOM 0 HB THR A 229 2.060 7.442 -9.519 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.526 9.667 -9.009 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.281 9.102 -11.342 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.047 7.880 -11.733 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.553 9.501 -11.189 1.00 0.00 H new ATOM 746 N PHE A 230 -1.703 9.398 -8.900 1.00 0.00 N ATOM 747 CA PHE A 230 -2.797 10.320 -9.351 1.00 0.00 C ATOM 748 C PHE A 230 -2.281 11.756 -9.510 1.00 0.00 C ATOM 749 O PHE A 230 -1.108 11.990 -9.717 1.00 0.00 O ATOM 750 CB PHE A 230 -3.883 10.246 -8.280 1.00 0.00 C ATOM 751 CG PHE A 230 -4.729 9.015 -8.509 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.343 7.785 -7.959 1.00 0.00 C ATOM 753 CD2 PHE A 230 -5.898 9.103 -9.274 1.00 0.00 C ATOM 754 CE1 PHE A 230 -5.130 6.646 -8.174 1.00 0.00 C ATOM 755 CE2 PHE A 230 -6.683 7.963 -9.489 1.00 0.00 C ATOM 756 CZ PHE A 230 -6.299 6.735 -8.938 1.00 0.00 C ATOM 0 H PHE A 230 -1.445 9.468 -7.916 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.182 10.024 -10.327 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.430 10.211 -7.289 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.505 11.140 -8.315 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -3.440 7.715 -7.370 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -6.195 10.051 -9.699 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -4.834 5.698 -7.750 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -7.584 8.032 -10.080 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.905 5.856 -9.102 1.00 0.00 H new ATOM 766 N LYS A 231 -3.163 12.718 -9.453 1.00 0.00 N ATOM 767 CA LYS A 231 -2.747 14.133 -9.635 1.00 0.00 C ATOM 768 C LYS A 231 -2.773 14.906 -8.309 1.00 0.00 C ATOM 769 O LYS A 231 -1.772 15.439 -7.875 1.00 0.00 O ATOM 770 CB LYS A 231 -3.799 14.682 -10.591 1.00 0.00 C ATOM 771 CG LYS A 231 -3.712 16.208 -10.646 1.00 0.00 C ATOM 772 CD LYS A 231 -4.020 16.680 -12.068 1.00 0.00 C ATOM 773 CE LYS A 231 -4.269 18.191 -12.067 1.00 0.00 C ATOM 774 NZ LYS A 231 -5.725 18.341 -12.346 1.00 0.00 N ATOM 0 H LYS A 231 -4.160 12.580 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.726 14.224 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -3.650 14.265 -11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -4.793 14.378 -10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -4.418 16.650 -9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -2.717 16.538 -10.348 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -3.188 16.439 -12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -4.896 16.158 -12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -4.003 18.634 -11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -3.668 18.691 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.973 19.351 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.947 17.916 -13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -6.272 17.861 -11.603 1.00 0.00 H new ATOM 788 N GLU A 232 -3.912 14.995 -7.676 1.00 0.00 N ATOM 789 CA GLU A 232 -3.995 15.764 -6.396 1.00 0.00 C ATOM 790 C GLU A 232 -3.751 14.859 -5.182 1.00 0.00 C ATOM 791 O GLU A 232 -2.733 14.955 -4.528 1.00 0.00 O ATOM 792 CB GLU A 232 -5.418 16.334 -6.361 1.00 0.00 C ATOM 793 CG GLU A 232 -5.816 16.825 -7.757 1.00 0.00 C ATOM 794 CD GLU A 232 -7.043 17.732 -7.650 1.00 0.00 C ATOM 795 OE1 GLU A 232 -7.259 18.281 -6.581 1.00 0.00 O ATOM 796 OE2 GLU A 232 -7.746 17.862 -8.638 1.00 0.00 O ATOM 0 H GLU A 232 -4.786 14.571 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 232 -3.235 16.544 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.117 15.570 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -5.473 17.156 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -4.988 17.368 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.034 15.975 -8.404 1.00 0.00 H new ATOM 803 N GLU A 233 -4.681 13.991 -4.871 1.00 0.00 N ATOM 804 CA GLU A 233 -4.519 13.083 -3.687 1.00 0.00 C ATOM 805 C GLU A 233 -5.877 12.444 -3.342 1.00 0.00 C ATOM 806 O GLU A 233 -5.963 11.356 -2.797 1.00 0.00 O ATOM 807 CB GLU A 233 -4.068 13.991 -2.535 1.00 0.00 C ATOM 808 CG GLU A 233 -4.863 15.299 -2.560 1.00 0.00 C ATOM 809 CD GLU A 233 -3.912 16.469 -2.810 1.00 0.00 C ATOM 810 OE1 GLU A 233 -2.771 16.380 -2.385 1.00 0.00 O ATOM 811 OE2 GLU A 233 -4.338 17.435 -3.421 1.00 0.00 O ATOM 0 H GLU A 233 -5.552 13.869 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.805 12.281 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.216 13.484 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -3.002 14.202 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -5.622 15.261 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.386 15.437 -1.614 1.00 0.00 H new ATOM 818 N GLU A 234 -6.940 13.138 -3.659 1.00 0.00 N ATOM 819 CA GLU A 234 -8.313 12.632 -3.367 1.00 0.00 C ATOM 820 C GLU A 234 -8.575 11.233 -3.959 1.00 0.00 C ATOM 821 O GLU A 234 -9.147 10.396 -3.287 1.00 0.00 O ATOM 822 CB GLU A 234 -9.249 13.657 -4.005 1.00 0.00 C ATOM 823 CG GLU A 234 -10.601 13.627 -3.288 1.00 0.00 C ATOM 824 CD GLU A 234 -11.443 14.824 -3.733 1.00 0.00 C ATOM 825 OE1 GLU A 234 -10.993 15.942 -3.545 1.00 0.00 O ATOM 826 OE2 GLU A 234 -12.525 14.603 -4.251 1.00 0.00 O ATOM 0 H GLU A 234 -6.913 14.050 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.461 12.522 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.813 14.654 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -9.382 13.435 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -11.124 12.698 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -10.453 13.655 -2.209 1.00 0.00 H new ATOM 833 N PRO A 235 -8.183 11.008 -5.195 1.00 0.00 N ATOM 834 CA PRO A 235 -8.439 9.690 -5.821 1.00 0.00 C ATOM 835 C PRO A 235 -7.938 8.553 -4.928 1.00 0.00 C ATOM 836 O PRO A 235 -8.539 7.499 -4.870 1.00 0.00 O ATOM 837 CB PRO A 235 -7.677 9.785 -7.143 1.00 0.00 C ATOM 838 CG PRO A 235 -7.037 11.182 -7.240 1.00 0.00 C ATOM 839 CD PRO A 235 -7.472 12.012 -6.025 1.00 0.00 C ATOM 0 HA PRO A 235 -9.496 9.469 -5.971 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -6.910 9.013 -7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -8.353 9.619 -7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -5.951 11.098 -7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -7.344 11.674 -8.163 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.619 12.443 -5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.123 12.839 -6.309 1.00 0.00 H new ATOM 847 N VAL A 236 -6.870 8.753 -4.207 1.00 0.00 N ATOM 848 CA VAL A 236 -6.398 7.664 -3.308 1.00 0.00 C ATOM 849 C VAL A 236 -7.255 7.654 -2.059 1.00 0.00 C ATOM 850 O VAL A 236 -7.516 6.624 -1.484 1.00 0.00 O ATOM 851 CB VAL A 236 -4.962 7.987 -2.943 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.501 7.026 -1.851 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.086 7.805 -4.168 1.00 0.00 C ATOM 0 H VAL A 236 -6.312 9.607 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.465 6.688 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 236 -4.890 9.015 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.469 7.250 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.138 7.139 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.566 6.001 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.052 8.036 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.153 6.773 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.423 8.475 -4.959 1.00 0.00 H new ATOM 863 N LYS A 237 -7.714 8.792 -1.635 1.00 0.00 N ATOM 864 CA LYS A 237 -8.578 8.809 -0.425 1.00 0.00 C ATOM 865 C LYS A 237 -9.635 7.733 -0.588 1.00 0.00 C ATOM 866 O LYS A 237 -9.851 6.895 0.270 1.00 0.00 O ATOM 867 CB LYS A 237 -9.261 10.170 -0.419 1.00 0.00 C ATOM 868 CG LYS A 237 -9.046 10.851 0.934 1.00 0.00 C ATOM 869 CD LYS A 237 -7.554 11.115 1.142 1.00 0.00 C ATOM 870 CE LYS A 237 -7.314 12.621 1.273 1.00 0.00 C ATOM 871 NZ LYS A 237 -7.503 12.916 2.721 1.00 0.00 N ATOM 0 H LYS A 237 -7.534 9.700 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 237 -8.014 8.636 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.859 10.793 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.327 10.053 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -9.601 11.788 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -9.430 10.220 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -7.205 10.601 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -6.983 10.717 0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -6.311 12.891 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -8.015 13.187 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -7.355 13.931 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -8.469 12.655 3.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -6.818 12.368 3.279 1.00 0.00 H new ATOM 885 N LYS A 238 -10.290 7.757 -1.709 1.00 0.00 N ATOM 886 CA LYS A 238 -11.342 6.749 -1.962 1.00 0.00 C ATOM 887 C LYS A 238 -10.716 5.379 -2.147 1.00 0.00 C ATOM 888 O LYS A 238 -11.019 4.437 -1.443 1.00 0.00 O ATOM 889 CB LYS A 238 -12.024 7.167 -3.261 1.00 0.00 C ATOM 890 CG LYS A 238 -13.533 7.275 -3.040 1.00 0.00 C ATOM 891 CD LYS A 238 -13.814 8.208 -1.860 1.00 0.00 C ATOM 892 CE LYS A 238 -15.244 8.747 -1.964 1.00 0.00 C ATOM 893 NZ LYS A 238 -16.070 7.820 -1.138 1.00 0.00 N ATOM 0 H LYS A 238 -10.141 8.432 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 238 -12.044 6.694 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.627 8.124 -3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.813 6.439 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -14.016 7.655 -3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.954 6.289 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -13.684 7.672 -0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -13.102 9.033 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -15.308 9.770 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -15.585 8.763 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -17.064 8.126 -1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -15.996 6.855 -1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -15.727 7.831 -0.156 1.00 0.00 H new ATOM 907 N ILE A 239 -9.851 5.264 -3.109 1.00 0.00 N ATOM 908 CA ILE A 239 -9.209 3.952 -3.365 1.00 0.00 C ATOM 909 C ILE A 239 -8.686 3.368 -2.053 1.00 0.00 C ATOM 910 O ILE A 239 -9.150 2.348 -1.588 1.00 0.00 O ATOM 911 CB ILE A 239 -8.060 4.240 -4.328 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.628 4.587 -5.707 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.165 3.004 -4.441 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.351 3.368 -6.287 1.00 0.00 C ATOM 0 H ILE A 239 -9.561 6.021 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 239 -9.904 3.226 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.473 5.079 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.318 5.427 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.824 4.897 -6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.345 3.210 -5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.762 2.756 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.750 2.164 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.754 3.617 -7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.649 2.540 -6.383 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.165 3.078 -5.623 1.00 0.00 H new ATOM 926 N MET A 240 -7.735 4.018 -1.446 1.00 0.00 N ATOM 927 CA MET A 240 -7.193 3.514 -0.154 1.00 0.00 C ATOM 928 C MET A 240 -8.348 3.090 0.761 1.00 0.00 C ATOM 929 O MET A 240 -8.226 2.166 1.540 1.00 0.00 O ATOM 930 CB MET A 240 -6.431 4.695 0.448 1.00 0.00 C ATOM 931 CG MET A 240 -5.589 4.212 1.630 1.00 0.00 C ATOM 932 SD MET A 240 -6.341 4.773 3.178 1.00 0.00 S ATOM 933 CE MET A 240 -5.307 6.240 3.413 1.00 0.00 C ATOM 0 H MET A 240 -7.308 4.879 -1.789 1.00 0.00 H new ATOM 0 HA MET A 240 -6.548 2.645 -0.282 1.00 0.00 H new ATOM 0 HB2 MET A 240 -5.790 5.150 -0.307 1.00 0.00 H new ATOM 0 HB3 MET A 240 -7.131 5.463 0.777 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.520 3.124 1.620 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.572 4.597 1.547 1.00 0.00 H new ATOM 0 HE1 MET A 240 -5.603 6.751 4.329 1.00 0.00 H new ATOM 0 HE2 MET A 240 -4.262 5.940 3.486 1.00 0.00 H new ATOM 0 HE3 MET A 240 -5.433 6.913 2.565 1.00 0.00 H new ATOM 943 N GLU A 241 -9.473 3.754 0.665 1.00 0.00 N ATOM 944 CA GLU A 241 -10.639 3.379 1.524 1.00 0.00 C ATOM 945 C GLU A 241 -11.249 2.048 1.055 1.00 0.00 C ATOM 946 O GLU A 241 -12.233 1.583 1.594 1.00 0.00 O ATOM 947 CB GLU A 241 -11.643 4.519 1.346 1.00 0.00 C ATOM 948 CG GLU A 241 -12.694 4.452 2.455 1.00 0.00 C ATOM 949 CD GLU A 241 -12.155 5.134 3.713 1.00 0.00 C ATOM 950 OE1 GLU A 241 -11.599 6.213 3.587 1.00 0.00 O ATOM 951 OE2 GLU A 241 -12.305 4.566 4.783 1.00 0.00 O ATOM 0 H GLU A 241 -9.635 4.537 0.031 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.352 3.243 2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.128 5.479 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.123 4.445 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -13.613 4.940 2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -12.944 3.413 2.671 1.00 0.00 H new ATOM 958 N LYS A 242 -10.666 1.431 0.062 1.00 0.00 N ATOM 959 CA LYS A 242 -11.196 0.132 -0.442 1.00 0.00 C ATOM 960 C LYS A 242 -10.036 -0.854 -0.589 1.00 0.00 C ATOM 961 O LYS A 242 -9.841 -1.453 -1.624 1.00 0.00 O ATOM 962 CB LYS A 242 -11.814 0.451 -1.804 1.00 0.00 C ATOM 963 CG LYS A 242 -12.721 -0.702 -2.235 1.00 0.00 C ATOM 964 CD LYS A 242 -14.091 -0.549 -1.572 1.00 0.00 C ATOM 965 CE LYS A 242 -14.555 -1.906 -1.040 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.783 -1.612 -0.251 1.00 0.00 N ATOM 0 H LYS A 242 -9.838 1.775 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.929 -0.318 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.387 1.377 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.029 0.606 -2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -12.829 -0.708 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -12.274 -1.655 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -14.034 0.173 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -14.813 -0.162 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -14.766 -2.598 -1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -13.788 -2.369 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.160 -2.496 0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -15.550 -0.956 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -16.498 -1.178 -0.870 1.00 0.00 H new ATOM 980 N LYS A 243 -9.265 -0.991 0.452 1.00 0.00 N ATOM 981 CA LYS A 243 -8.073 -1.905 0.448 1.00 0.00 C ATOM 982 C LYS A 243 -8.196 -3.049 -0.569 1.00 0.00 C ATOM 983 O LYS A 243 -7.231 -3.408 -1.213 1.00 0.00 O ATOM 984 CB LYS A 243 -8.007 -2.489 1.865 1.00 0.00 C ATOM 985 CG LYS A 243 -9.421 -2.664 2.435 1.00 0.00 C ATOM 986 CD LYS A 243 -9.512 -3.998 3.176 1.00 0.00 C ATOM 987 CE LYS A 243 -9.123 -3.794 4.643 1.00 0.00 C ATOM 988 NZ LYS A 243 -9.765 -4.922 5.379 1.00 0.00 N ATOM 0 H LYS A 243 -9.410 -0.497 1.333 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.180 -1.349 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.494 -3.450 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.426 -1.830 2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -9.655 -1.843 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -10.155 -2.632 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -10.525 -4.395 3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -8.851 -4.730 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -8.040 -3.807 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -9.475 -2.831 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -9.542 -4.847 6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -10.796 -4.880 5.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -9.406 -5.826 5.011 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.346 -3.646 -0.711 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.457 -4.776 -1.680 1.00 0.00 C ATOM 1004 C TYR A 244 -10.455 -4.414 -2.787 1.00 0.00 C ATOM 1005 O TYR A 244 -11.654 -4.455 -2.592 1.00 0.00 O ATOM 1006 CB TYR A 244 -9.967 -5.948 -0.839 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.352 -7.246 -1.319 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -7.960 -7.402 -1.274 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.155 -8.305 -1.773 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.374 -8.604 -1.678 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.567 -9.499 -2.179 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.177 -9.655 -2.129 1.00 0.00 C ATOM 1013 OH TYR A 244 -7.597 -10.842 -2.526 1.00 0.00 O ATOM 0 H TYR A 244 -10.201 -3.408 -0.209 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.514 -5.011 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.719 -5.786 0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.053 -6.006 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.338 -6.590 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.229 -8.193 -1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.301 -8.721 -1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.186 -10.309 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 244 -7.933 -11.573 -1.967 1.00 0.00 H new ATOM 1023 N HIS A 245 -9.969 -4.048 -3.945 1.00 0.00 N ATOM 1024 CA HIS A 245 -10.889 -3.669 -5.060 1.00 0.00 C ATOM 1025 C HIS A 245 -11.258 -4.890 -5.902 1.00 0.00 C ATOM 1026 O HIS A 245 -11.132 -6.021 -5.475 1.00 0.00 O ATOM 1027 CB HIS A 245 -10.094 -2.690 -5.923 1.00 0.00 C ATOM 1028 CG HIS A 245 -9.778 -1.447 -5.144 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -9.015 -1.228 -4.025 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -10.266 -0.207 -5.518 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -9.027 0.126 -3.709 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -9.794 0.693 -4.642 1.00 0.00 N flip ATOM 0 H HIS A 245 -8.975 -3.995 -4.167 1.00 0.00 H new ATOM 0 HA HIS A 245 -11.816 -3.242 -4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -9.171 -3.160 -6.261 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -10.666 -2.433 -6.815 1.00 0.00 H new ATOM 0 HD1 HIS A 245 -8.515 -1.949 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -10.909 -0.001 -6.361 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.524 0.613 -2.887 1.00 0.00 H new ATOM 1040 N ASN A 246 -11.699 -4.657 -7.109 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.065 -5.779 -8.013 1.00 0.00 C ATOM 1042 C ASN A 246 -11.621 -5.443 -9.438 1.00 0.00 C ATOM 1043 O ASN A 246 -11.965 -4.408 -9.974 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.588 -5.882 -7.929 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.022 -7.307 -8.278 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -14.273 -8.110 -7.402 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.118 -7.658 -9.532 1.00 0.00 N ATOM 0 H ASN A 246 -11.822 -3.727 -7.509 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.588 -6.719 -7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -13.926 -5.623 -6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.050 -5.171 -8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -14.404 -8.606 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -13.907 -6.984 -10.268 1.00 0.00 H new ATOM 1054 N VAL A 247 -10.851 -6.296 -10.054 1.00 0.00 N ATOM 1055 CA VAL A 247 -10.384 -6.000 -11.440 1.00 0.00 C ATOM 1056 C VAL A 247 -10.218 -7.299 -12.233 1.00 0.00 C ATOM 1057 O VAL A 247 -9.525 -8.208 -11.818 1.00 0.00 O ATOM 1058 CB VAL A 247 -9.032 -5.304 -11.262 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -8.390 -5.081 -12.632 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -9.233 -3.950 -10.572 1.00 0.00 C ATOM 0 H VAL A 247 -10.526 -7.180 -9.662 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.093 -5.381 -11.991 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.384 -5.930 -10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -7.427 -4.585 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -8.242 -6.042 -13.125 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -9.043 -4.457 -13.242 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -8.268 -3.458 -10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -9.883 -3.324 -11.182 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -9.691 -4.104 -9.595 1.00 0.00 H new ATOM 1070 N GLY A 248 -10.842 -7.390 -13.375 1.00 0.00 N ATOM 1071 CA GLY A 248 -10.715 -8.627 -14.199 1.00 0.00 C ATOM 1072 C GLY A 248 -11.097 -9.850 -13.363 1.00 0.00 C ATOM 1073 O GLY A 248 -10.274 -10.693 -13.069 1.00 0.00 O ATOM 0 H GLY A 248 -11.434 -6.662 -13.774 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -11.360 -8.559 -15.075 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -9.693 -8.729 -14.563 1.00 0.00 H new ATOM 1077 N LEU A 249 -12.340 -9.956 -12.982 1.00 0.00 N ATOM 1078 CA LEU A 249 -12.776 -11.129 -12.170 1.00 0.00 C ATOM 1079 C LEU A 249 -11.788 -11.389 -11.030 1.00 0.00 C ATOM 1080 O LEU A 249 -11.491 -12.520 -10.701 1.00 0.00 O ATOM 1081 CB LEU A 249 -12.784 -12.304 -13.147 1.00 0.00 C ATOM 1082 CG LEU A 249 -13.603 -11.935 -14.385 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -13.237 -12.876 -15.535 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -15.093 -12.070 -14.068 1.00 0.00 C ATOM 0 H LEU A 249 -13.074 -9.281 -13.198 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.752 -10.970 -11.711 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -11.764 -12.557 -13.435 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -13.208 -13.186 -12.667 1.00 0.00 H new ATOM 0 HG LEU A 249 -13.386 -10.907 -14.674 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -13.820 -12.615 -16.418 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -12.175 -12.780 -15.760 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -13.456 -13.904 -15.247 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -15.678 -11.807 -14.950 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -15.312 -13.098 -13.780 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -15.353 -11.401 -13.248 1.00 0.00 H new ATOM 1096 N SER A 250 -11.278 -10.353 -10.422 1.00 0.00 N ATOM 1097 CA SER A 250 -10.314 -10.548 -9.302 1.00 0.00 C ATOM 1098 C SER A 250 -10.493 -9.436 -8.269 1.00 0.00 C ATOM 1099 O SER A 250 -11.390 -8.627 -8.371 1.00 0.00 O ATOM 1100 CB SER A 250 -8.932 -10.455 -9.949 1.00 0.00 C ATOM 1101 OG SER A 250 -8.009 -11.234 -9.199 1.00 0.00 O ATOM 0 H SER A 250 -11.487 -9.381 -10.652 1.00 0.00 H new ATOM 0 HA SER A 250 -10.459 -11.498 -8.787 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.975 -10.812 -10.978 1.00 0.00 H new ATOM 0 HB3 SER A 250 -8.604 -9.416 -9.985 1.00 0.00 H new ATOM 0 HG SER A 250 -7.122 -11.178 -9.612 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.639 -9.381 -7.285 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.755 -8.303 -6.261 1.00 0.00 C ATOM 1109 C LYS A 251 -8.378 -7.949 -5.700 1.00 0.00 C ATOM 1110 O LYS A 251 -8.179 -7.906 -4.502 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.679 -8.832 -5.152 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.599 -10.359 -5.033 1.00 0.00 C ATOM 1113 CD LYS A 251 -9.200 -10.783 -4.583 1.00 0.00 C ATOM 1114 CE LYS A 251 -8.566 -11.692 -5.638 1.00 0.00 C ATOM 1115 NZ LYS A 251 -7.253 -11.064 -5.953 1.00 0.00 N ATOM 0 H LYS A 251 -8.868 -10.033 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.166 -7.393 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -10.404 -8.377 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.707 -8.536 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -11.342 -10.714 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -10.835 -10.818 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -8.576 -9.903 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -9.259 -11.305 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -8.437 -12.706 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -9.193 -11.761 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -7.245 -10.756 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -7.104 -10.241 -5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -6.492 -11.755 -5.799 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.435 -7.673 -6.568 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.060 -7.288 -6.115 1.00 0.00 C ATOM 1131 C CYS A 252 -6.151 -6.471 -4.824 1.00 0.00 C ATOM 1132 O CYS A 252 -7.153 -5.838 -4.559 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.512 -6.415 -7.246 1.00 0.00 C ATOM 1134 SG CYS A 252 -5.564 -7.322 -8.813 1.00 0.00 S ATOM 0 H CYS A 252 -7.560 -7.698 -7.580 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.428 -8.153 -5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -6.099 -5.500 -7.327 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.487 -6.118 -7.023 1.00 0.00 H new ATOM 0 HG CYS A 252 -5.098 -6.570 -9.766 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.118 -6.445 -4.029 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.200 -5.621 -2.784 1.00 0.00 C ATOM 1142 C GLU A 253 -4.779 -4.208 -3.115 1.00 0.00 C ATOM 1143 O GLU A 253 -4.332 -3.931 -4.209 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.268 -6.229 -1.727 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.100 -6.969 -2.379 1.00 0.00 C ATOM 1146 CD GLU A 253 -1.919 -7.022 -1.407 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -1.849 -6.161 -0.545 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -1.106 -7.921 -1.542 1.00 0.00 O ATOM 0 H GLU A 253 -4.241 -6.943 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.217 -5.608 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -3.886 -5.440 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.830 -6.917 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.404 -7.979 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.805 -6.464 -3.299 1.00 0.00 H new ATOM 1155 N ILE A 254 -4.955 -3.296 -2.212 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.598 -1.892 -2.546 1.00 0.00 C ATOM 1157 C ILE A 254 -4.143 -1.090 -1.326 1.00 0.00 C ATOM 1158 O ILE A 254 -4.938 -0.584 -0.560 1.00 0.00 O ATOM 1159 CB ILE A 254 -5.888 -1.309 -3.133 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.026 -1.760 -4.590 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -5.852 0.223 -3.082 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.805 -3.075 -4.652 1.00 0.00 C ATOM 0 H ILE A 254 -5.323 -3.452 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.754 -1.849 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.736 -1.664 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.540 -0.994 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.040 -1.889 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -6.775 0.623 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.753 0.550 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.003 0.586 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.901 -3.392 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.273 -3.840 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.797 -2.931 -4.224 1.00 0.00 H new ATOM 1174 N LYS A 255 -2.859 -0.922 -1.190 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.315 -0.098 -0.081 1.00 0.00 C ATOM 1176 C LYS A 255 -1.749 1.173 -0.718 1.00 0.00 C ATOM 1177 O LYS A 255 -0.804 1.120 -1.474 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.218 -0.955 0.561 1.00 0.00 C ATOM 1179 CG LYS A 255 -0.188 -0.055 1.248 1.00 0.00 C ATOM 1180 CD LYS A 255 0.967 -0.913 1.772 1.00 0.00 C ATOM 1181 CE LYS A 255 1.187 -0.618 3.257 1.00 0.00 C ATOM 1182 NZ LYS A 255 2.468 0.139 3.311 1.00 0.00 N ATOM 0 H LYS A 255 -2.156 -1.326 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 255 -3.045 0.190 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.657 -1.639 1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.731 -1.566 -0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 255 0.187 0.689 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.654 0.488 2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 255 0.743 -1.970 1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 255 1.876 -0.701 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 255 0.365 -0.033 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 255 1.247 -1.538 3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 2.688 0.379 4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 3.233 -0.445 2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 2.378 1.013 2.755 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.360 2.298 -0.470 1.00 0.00 N ATOM 1197 CA VAL A 256 -1.904 3.568 -1.114 1.00 0.00 C ATOM 1198 C VAL A 256 -0.378 3.646 -1.261 1.00 0.00 C ATOM 1199 O VAL A 256 0.367 2.894 -0.664 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.413 4.687 -0.220 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.107 4.366 1.246 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -1.725 5.992 -0.617 1.00 0.00 C ATOM 0 H VAL A 256 -3.161 2.396 0.154 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.294 3.637 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.492 4.787 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.475 5.173 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.598 3.433 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -1.030 4.263 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.084 6.801 0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.647 5.886 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -1.952 6.221 -1.658 1.00 0.00 H new ATOM 1212 N ALA A 257 0.082 4.572 -2.065 1.00 0.00 N ATOM 1213 CA ALA A 257 1.540 4.736 -2.288 1.00 0.00 C ATOM 1214 C ALA A 257 1.890 6.223 -2.426 1.00 0.00 C ATOM 1215 O ALA A 257 1.075 7.034 -2.835 1.00 0.00 O ATOM 1216 CB ALA A 257 1.809 4.006 -3.603 1.00 0.00 C ATOM 0 H ALA A 257 -0.505 5.228 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 257 2.135 4.343 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.869 4.076 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.528 2.958 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.222 4.463 -4.400 1.00 0.00 H new