USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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 84 THR OG1 : rot 180:sc=-0.00901 USER MOD Single : A 88 LYS NZ :NH3+ -113:sc= 0.435 (180deg=-2.01!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= -0.0419 (180deg=-0.353) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HE2:sc= -0.569 K(o=-0.57,f=-1.9) USER MOD Single : A 102 TYR OH : rot 120:sc= 1.07 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -93:sc= -0.104 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -159:sc= -0.151 (180deg=-1.68) USER MOD Single : A 134 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0222) USER MOD Single : A 136 LYS NZ :NH3+ -145:sc= -1.29 (180deg=-2.38!) USER MOD Single : A 138 LYS NZ :NH3+ 142:sc= -0.41 (180deg=-1.74) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.402 -5.834 6.300 1.00 0.00 N ATOM 188 CA THR A 84 8.197 -7.270 6.150 1.00 0.00 C ATOM 189 C THR A 84 8.675 -7.753 4.785 1.00 0.00 C ATOM 190 O THR A 84 8.770 -8.956 4.540 1.00 0.00 O ATOM 191 CB THR A 84 6.714 -7.647 6.325 1.00 0.00 C ATOM 192 OG1 THR A 84 6.550 -9.063 6.195 1.00 0.00 O ATOM 193 CG2 THR A 84 5.850 -6.935 5.295 1.00 0.00 C ATOM 0 HA THR A 84 8.782 -7.757 6.930 1.00 0.00 H new ATOM 0 HB THR A 84 6.397 -7.335 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.605 -9.295 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.807 -7.217 5.438 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.955 -5.857 5.415 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.169 -7.221 4.293 1.00 0.00 H new ATOM 201 N PHE A 85 8.976 -6.808 3.900 1.00 0.00 N ATOM 202 CA PHE A 85 9.445 -7.139 2.559 1.00 0.00 C ATOM 203 C PHE A 85 8.566 -8.213 1.926 1.00 0.00 C ATOM 204 O PHE A 85 9.063 -9.126 1.267 1.00 0.00 O ATOM 205 CB PHE A 85 10.898 -7.615 2.607 1.00 0.00 C ATOM 206 CG PHE A 85 11.441 -8.018 1.266 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.865 -7.542 0.099 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.527 -8.873 1.172 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.363 -7.910 -1.137 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.029 -9.245 -0.061 1.00 0.00 C ATOM 211 CZ PHE A 85 12.445 -8.764 -1.217 1.00 0.00 C ATOM 0 H PHE A 85 8.904 -5.808 4.087 1.00 0.00 H new ATOM 0 HA PHE A 85 9.386 -6.239 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.519 -6.819 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.972 -8.462 3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.017 -6.876 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 85 12.987 -9.253 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.906 -7.530 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 85 13.877 -9.911 -0.121 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.834 -9.055 -2.181 1.00 0.00 H new ATOM 221 N GLU A 86 7.258 -8.097 2.131 1.00 0.00 N ATOM 222 CA GLU A 86 6.311 -9.059 1.581 1.00 0.00 C ATOM 223 C GLU A 86 5.261 -8.359 0.723 1.00 0.00 C ATOM 224 O GLU A 86 4.685 -8.958 -0.187 1.00 0.00 O ATOM 225 CB GLU A 86 5.628 -9.837 2.707 1.00 0.00 C ATOM 226 CG GLU A 86 6.500 -10.926 3.310 1.00 0.00 C ATOM 227 CD GLU A 86 5.693 -11.981 4.042 1.00 0.00 C ATOM 228 OE1 GLU A 86 4.622 -12.370 3.532 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.134 -12.417 5.126 1.00 0.00 O ATOM 0 H GLU A 86 6.830 -7.347 2.674 1.00 0.00 H new ATOM 0 HA GLU A 86 6.865 -9.756 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.335 -9.141 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.713 -10.287 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.080 -11.401 2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.213 -10.475 4.001 1.00 0.00 H new ATOM 236 N LEU A 87 5.015 -7.087 1.019 1.00 0.00 N ATOM 237 CA LEU A 87 4.034 -6.304 0.276 1.00 0.00 C ATOM 238 C LEU A 87 4.037 -6.687 -1.201 1.00 0.00 C ATOM 239 O LEU A 87 2.997 -6.675 -1.859 1.00 0.00 O ATOM 240 CB LEU A 87 4.324 -4.810 0.428 1.00 0.00 C ATOM 241 CG LEU A 87 4.865 -4.366 1.788 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.196 -5.146 2.908 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.376 -4.538 1.843 1.00 0.00 C ATOM 0 H LEU A 87 5.482 -6.576 1.768 1.00 0.00 H new ATOM 0 HA LEU A 87 3.047 -6.520 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.042 -4.520 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.405 -4.260 0.228 1.00 0.00 H new ATOM 0 HG LEU A 87 4.635 -3.309 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.593 -4.817 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.120 -4.971 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.394 -6.210 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.743 -4.217 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.629 -5.587 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.840 -3.933 1.064 1.00 0.00 H new ATOM 255 N LYS A 88 5.214 -7.028 -1.715 1.00 0.00 N ATOM 256 CA LYS A 88 5.353 -7.418 -3.113 1.00 0.00 C ATOM 257 C LYS A 88 4.324 -8.481 -3.487 1.00 0.00 C ATOM 258 O LYS A 88 4.517 -9.666 -3.222 1.00 0.00 O ATOM 259 CB LYS A 88 6.765 -7.945 -3.378 1.00 0.00 C ATOM 260 CG LYS A 88 7.252 -7.694 -4.795 1.00 0.00 C ATOM 261 CD LYS A 88 6.547 -8.595 -5.795 1.00 0.00 C ATOM 262 CE LYS A 88 7.191 -9.972 -5.855 1.00 0.00 C ATOM 263 NZ LYS A 88 6.619 -10.897 -4.838 1.00 0.00 N ATOM 0 H LYS A 88 6.085 -7.042 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 88 5.178 -6.536 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.456 -7.477 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.787 -9.017 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.081 -6.651 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.328 -7.863 -4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.497 -8.695 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.575 -8.136 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.051 -10.395 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.265 -9.878 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.345 -11.124 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.809 -10.442 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.304 -11.772 -5.303 1.00 0.00 H new ATOM 277 N GLY A 89 3.231 -8.047 -4.107 1.00 0.00 N ATOM 278 CA GLY A 89 2.189 -8.973 -4.508 1.00 0.00 C ATOM 279 C GLY A 89 0.884 -8.732 -3.775 1.00 0.00 C ATOM 280 O GLY A 89 -0.194 -8.996 -4.307 1.00 0.00 O ATOM 0 H GLY A 89 3.049 -7.070 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.021 -8.883 -5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.523 -9.994 -4.322 1.00 0.00 H new ATOM 284 N LYS A 90 0.981 -8.231 -2.548 1.00 0.00 N ATOM 285 CA LYS A 90 -0.200 -7.955 -1.739 1.00 0.00 C ATOM 286 C LYS A 90 -0.932 -6.718 -2.249 1.00 0.00 C ATOM 287 O LYS A 90 -0.403 -5.964 -3.066 1.00 0.00 O ATOM 288 CB LYS A 90 0.196 -7.758 -0.273 1.00 0.00 C ATOM 289 CG LYS A 90 0.485 -9.057 0.458 1.00 0.00 C ATOM 290 CD LYS A 90 1.781 -9.690 -0.022 1.00 0.00 C ATOM 291 CE LYS A 90 2.418 -10.545 1.063 1.00 0.00 C ATOM 292 NZ LYS A 90 1.730 -11.857 1.211 1.00 0.00 N ATOM 0 H LYS A 90 1.866 -8.008 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.871 -8.810 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.079 -7.120 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.606 -7.231 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.547 -8.867 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.340 -9.753 0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.584 -10.303 -0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.477 -8.909 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.469 -10.711 0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.387 -10.010 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.194 -12.410 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.733 -11.700 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.781 -12.379 0.313 1.00 0.00 H new ATOM 306 N VAL A 91 -2.152 -6.515 -1.762 1.00 0.00 N ATOM 307 CA VAL A 91 -2.956 -5.368 -2.167 1.00 0.00 C ATOM 308 C VAL A 91 -3.037 -4.332 -1.051 1.00 0.00 C ATOM 309 O VAL A 91 -3.195 -4.676 0.119 1.00 0.00 O ATOM 310 CB VAL A 91 -4.383 -5.794 -2.562 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.207 -4.583 -2.973 1.00 0.00 C ATOM 312 CG2 VAL A 91 -4.340 -6.825 -3.680 1.00 0.00 C ATOM 0 H VAL A 91 -2.605 -7.130 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.464 -4.927 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.861 -6.251 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.212 -4.903 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.265 -3.883 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.735 -4.094 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.356 -7.115 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.844 -6.397 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.788 -7.703 -3.344 1.00 0.00 H new ATOM 322 N GLY A 92 -2.928 -3.060 -1.423 1.00 0.00 N ATOM 323 CA GLY A 92 -2.992 -1.992 -0.442 1.00 0.00 C ATOM 324 C GLY A 92 -4.067 -0.974 -0.763 1.00 0.00 C ATOM 325 O GLY A 92 -4.487 -0.844 -1.913 1.00 0.00 O ATOM 0 H GLY A 92 -2.797 -2.750 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.182 -2.418 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.025 -1.491 -0.391 1.00 0.00 H new ATOM 329 N LYS A 93 -4.516 -0.249 0.256 1.00 0.00 N ATOM 330 CA LYS A 93 -5.550 0.764 0.078 1.00 0.00 C ATOM 331 C LYS A 93 -4.946 2.164 0.077 1.00 0.00 C ATOM 332 O LYS A 93 -4.305 2.576 1.044 1.00 0.00 O ATOM 333 CB LYS A 93 -6.600 0.650 1.187 1.00 0.00 C ATOM 334 CG LYS A 93 -7.829 1.511 0.951 1.00 0.00 C ATOM 335 CD LYS A 93 -7.648 2.909 1.519 1.00 0.00 C ATOM 336 CE LYS A 93 -8.002 2.959 2.998 1.00 0.00 C ATOM 337 NZ LYS A 93 -9.460 2.759 3.226 1.00 0.00 N ATOM 0 H LYS A 93 -4.180 -0.344 1.214 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.029 0.594 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.908 -0.391 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.146 0.932 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -8.030 1.575 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.698 1.040 1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.615 3.229 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.276 3.610 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.442 2.191 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.698 3.920 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.721 3.141 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.998 3.253 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -9.680 1.743 3.194 1.00 0.00 H new ATOM 351 N VAL A 94 -5.155 2.893 -1.015 1.00 0.00 N ATOM 352 CA VAL A 94 -4.633 4.248 -1.141 1.00 0.00 C ATOM 353 C VAL A 94 -5.292 5.187 -0.136 1.00 0.00 C ATOM 354 O VAL A 94 -6.307 5.816 -0.432 1.00 0.00 O ATOM 355 CB VAL A 94 -4.848 4.803 -2.562 1.00 0.00 C ATOM 356 CG1 VAL A 94 -3.854 4.184 -3.532 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.277 4.555 -3.019 1.00 0.00 C ATOM 0 H VAL A 94 -5.682 2.567 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.563 4.195 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.679 5.880 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.021 4.588 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.839 4.417 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.989 3.103 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.412 4.953 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.477 3.483 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.968 5.050 -2.337 1.00 0.00 H new ATOM 367 N VAL A 95 -4.707 5.276 1.054 1.00 0.00 N ATOM 368 CA VAL A 95 -5.236 6.139 2.104 1.00 0.00 C ATOM 369 C VAL A 95 -5.110 7.609 1.721 1.00 0.00 C ATOM 370 O VAL A 95 -5.945 8.433 2.095 1.00 0.00 O ATOM 371 CB VAL A 95 -4.511 5.904 3.442 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.902 4.557 4.032 1.00 0.00 C ATOM 373 CG2 VAL A 95 -3.004 5.995 3.255 1.00 0.00 C ATOM 0 H VAL A 95 -3.866 4.761 1.315 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.290 5.886 2.222 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.815 6.683 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.380 4.408 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.978 4.534 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.629 3.762 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.508 5.826 4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.680 5.239 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.743 6.985 2.880 1.00 0.00 H new ATOM 383 N LYS A 96 -4.060 7.933 0.974 1.00 0.00 N ATOM 384 CA LYS A 96 -3.823 9.304 0.538 1.00 0.00 C ATOM 385 C LYS A 96 -2.976 9.334 -0.729 1.00 0.00 C ATOM 386 O LYS A 96 -2.371 8.329 -1.106 1.00 0.00 O ATOM 387 CB LYS A 96 -3.131 10.101 1.647 1.00 0.00 C ATOM 388 CG LYS A 96 -3.433 11.589 1.605 1.00 0.00 C ATOM 389 CD LYS A 96 -3.031 12.275 2.900 1.00 0.00 C ATOM 390 CE LYS A 96 -2.926 13.782 2.722 1.00 0.00 C ATOM 391 NZ LYS A 96 -2.404 14.450 3.947 1.00 0.00 N ATOM 0 H LYS A 96 -3.359 7.263 0.658 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.788 9.761 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.438 9.704 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.054 9.955 1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.902 12.046 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.498 11.740 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.763 12.049 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.074 11.880 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.270 14.003 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.907 14.188 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.347 15.476 3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.043 14.260 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.457 14.081 4.167 1.00 0.00 H new ATOM 405 N ILE A 97 -2.935 10.491 -1.381 1.00 0.00 N ATOM 406 CA ILE A 97 -2.159 10.651 -2.605 1.00 0.00 C ATOM 407 C ILE A 97 -1.416 11.982 -2.614 1.00 0.00 C ATOM 408 O ILE A 97 -1.966 13.015 -2.233 1.00 0.00 O ATOM 409 CB ILE A 97 -3.055 10.567 -3.855 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.746 9.203 -3.923 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.234 10.814 -5.112 1.00 0.00 C ATOM 412 CD1 ILE A 97 -5.085 9.239 -4.626 1.00 0.00 C ATOM 0 H ILE A 97 -3.430 11.331 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.437 9.834 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.822 11.339 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.093 8.499 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.886 8.825 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.881 10.751 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.784 11.806 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.448 10.062 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.517 8.238 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.755 9.918 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.949 9.587 -5.650 1.00 0.00 H new ATOM 424 N ALA A 98 -0.162 11.951 -3.054 1.00 0.00 N ATOM 425 CA ALA A 98 0.656 13.155 -3.117 1.00 0.00 C ATOM 426 C ALA A 98 1.609 13.110 -4.306 1.00 0.00 C ATOM 427 O ALA A 98 2.255 12.094 -4.557 1.00 0.00 O ATOM 428 CB ALA A 98 1.434 13.334 -1.821 1.00 0.00 C ATOM 0 H ALA A 98 0.309 11.104 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.009 14.009 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.041 14.237 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.737 13.421 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.082 12.472 -1.664 1.00 0.00 H new ATOM 434 N GLU A 99 1.690 14.218 -5.036 1.00 0.00 N ATOM 435 CA GLU A 99 2.563 14.303 -6.201 1.00 0.00 C ATOM 436 C GLU A 99 3.934 13.707 -5.897 1.00 0.00 C ATOM 437 O GLU A 99 4.420 12.839 -6.623 1.00 0.00 O ATOM 438 CB GLU A 99 2.715 15.759 -6.647 1.00 0.00 C ATOM 439 CG GLU A 99 2.951 15.917 -8.140 1.00 0.00 C ATOM 440 CD GLU A 99 4.418 15.822 -8.512 1.00 0.00 C ATOM 441 OE1 GLU A 99 5.259 16.338 -7.747 1.00 0.00 O ATOM 442 OE2 GLU A 99 4.725 15.231 -9.569 1.00 0.00 O ATOM 0 H GLU A 99 1.162 15.069 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 99 2.107 13.729 -7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.817 16.311 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.547 16.211 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.394 15.148 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.559 16.880 -8.466 1.00 0.00 H new ATOM 449 N ASP A 100 4.553 14.179 -4.821 1.00 0.00 N ATOM 450 CA ASP A 100 5.868 13.692 -4.419 1.00 0.00 C ATOM 451 C ASP A 100 5.849 12.181 -4.215 1.00 0.00 C ATOM 452 O ASP A 100 6.793 11.482 -4.584 1.00 0.00 O ATOM 453 CB ASP A 100 6.322 14.387 -3.135 1.00 0.00 C ATOM 454 CG ASP A 100 6.446 15.889 -3.302 1.00 0.00 C ATOM 455 OD1 ASP A 100 5.434 16.594 -3.104 1.00 0.00 O ATOM 456 OD2 ASP A 100 7.555 16.360 -3.630 1.00 0.00 O ATOM 0 H ASP A 100 4.165 14.899 -4.211 1.00 0.00 H new ATOM 0 HA ASP A 100 6.573 13.924 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.611 14.171 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.284 13.978 -2.825 1.00 0.00 H new ATOM 461 N HIS A 101 4.768 11.682 -3.623 1.00 0.00 N ATOM 462 CA HIS A 101 4.626 10.253 -3.369 1.00 0.00 C ATOM 463 C HIS A 101 3.199 9.915 -2.949 1.00 0.00 C ATOM 464 O HIS A 101 2.434 10.793 -2.550 1.00 0.00 O ATOM 465 CB HIS A 101 5.609 9.806 -2.287 1.00 0.00 C ATOM 466 CG HIS A 101 5.244 10.281 -0.914 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.387 11.591 -0.509 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.739 9.613 0.149 1.00 0.00 C ATOM 469 CE1 HIS A 101 4.987 11.708 0.745 1.00 0.00 C ATOM 470 NE2 HIS A 101 4.588 10.522 1.167 1.00 0.00 N ATOM 0 H HIS A 101 3.978 12.246 -3.310 1.00 0.00 H new ATOM 0 HA HIS A 101 4.849 9.721 -4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.663 8.717 -2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.604 10.174 -2.537 1.00 0.00 H new ATOM 0 HD1 HIS A 101 5.746 12.351 -1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.499 8.561 0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.986 12.619 1.326 1.00 0.00 H new ATOM 479 N TYR A 102 2.847 8.637 -3.041 1.00 0.00 N ATOM 480 CA TYR A 102 1.511 8.184 -2.674 1.00 0.00 C ATOM 481 C TYR A 102 1.547 7.374 -1.381 1.00 0.00 C ATOM 482 O TYR A 102 2.493 6.626 -1.129 1.00 0.00 O ATOM 483 CB TYR A 102 0.907 7.342 -3.799 1.00 0.00 C ATOM 484 CG TYR A 102 0.953 8.018 -5.151 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.165 8.360 -5.739 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.216 8.313 -5.842 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.211 8.978 -6.973 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.180 8.930 -7.078 1.00 0.00 C ATOM 489 CZ TYR A 102 1.036 9.260 -7.639 1.00 0.00 C ATOM 490 OH TYR A 102 1.078 9.874 -8.870 1.00 0.00 O ATOM 0 H TYR A 102 3.469 7.897 -3.367 1.00 0.00 H new ATOM 0 HA TYR A 102 0.888 9.064 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.440 6.393 -3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.129 7.111 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.087 8.139 -5.222 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.170 8.055 -5.405 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.161 9.239 -7.414 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.098 9.152 -7.601 1.00 0.00 H new ATOM 0 HH TYR A 102 0.656 9.295 -9.539 1.00 0.00 H new ATOM 500 N LEU A 103 0.510 7.527 -0.566 1.00 0.00 N ATOM 501 CA LEU A 103 0.420 6.810 0.701 1.00 0.00 C ATOM 502 C LEU A 103 -0.456 5.569 0.564 1.00 0.00 C ATOM 503 O LEU A 103 -1.674 5.669 0.420 1.00 0.00 O ATOM 504 CB LEU A 103 -0.141 7.726 1.790 1.00 0.00 C ATOM 505 CG LEU A 103 0.886 8.539 2.578 1.00 0.00 C ATOM 506 CD1 LEU A 103 1.850 7.617 3.309 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.644 9.481 1.654 1.00 0.00 C ATOM 0 H LEU A 103 -0.281 8.141 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 103 1.424 6.494 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.845 8.418 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.709 7.116 2.493 1.00 0.00 H new ATOM 0 HG LEU A 103 0.355 9.138 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.574 8.214 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.294 6.984 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.374 6.991 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.371 10.051 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.163 8.902 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.942 10.165 1.177 1.00 0.00 H new ATOM 519 N VAL A 104 0.173 4.398 0.612 1.00 0.00 N ATOM 520 CA VAL A 104 -0.550 3.137 0.496 1.00 0.00 C ATOM 521 C VAL A 104 -0.418 2.310 1.769 1.00 0.00 C ATOM 522 O VAL A 104 0.686 2.087 2.265 1.00 0.00 O ATOM 523 CB VAL A 104 -0.041 2.307 -0.698 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.160 1.446 -1.265 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.539 3.216 -1.771 1.00 0.00 C ATOM 0 H VAL A 104 1.181 4.297 0.730 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.599 3.386 0.335 1.00 0.00 H new ATOM 0 HB VAL A 104 0.752 1.646 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.782 0.867 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.524 0.768 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.976 2.085 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.894 2.612 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.231 3.903 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.371 3.785 -1.355 1.00 0.00 H new ATOM 535 N GLU A 105 -1.552 1.855 2.293 1.00 0.00 N ATOM 536 CA GLU A 105 -1.563 1.052 3.510 1.00 0.00 C ATOM 537 C GLU A 105 -1.572 -0.438 3.178 1.00 0.00 C ATOM 538 O GLU A 105 -2.594 -0.986 2.764 1.00 0.00 O ATOM 539 CB GLU A 105 -2.780 1.402 4.368 1.00 0.00 C ATOM 540 CG GLU A 105 -2.900 0.559 5.627 1.00 0.00 C ATOM 541 CD GLU A 105 -4.234 0.740 6.325 1.00 0.00 C ATOM 542 OE1 GLU A 105 -4.337 1.636 7.188 1.00 0.00 O ATOM 543 OE2 GLU A 105 -5.176 -0.016 6.006 1.00 0.00 O ATOM 0 H GLU A 105 -2.474 2.029 1.894 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.656 1.277 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.726 2.454 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.683 1.278 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.768 -0.492 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.096 0.822 6.314 1.00 0.00 H new ATOM 550 N VAL A 106 -0.427 -1.086 3.363 1.00 0.00 N ATOM 551 CA VAL A 106 -0.302 -2.512 3.084 1.00 0.00 C ATOM 552 C VAL A 106 -0.131 -3.311 4.371 1.00 0.00 C ATOM 553 O VAL A 106 0.769 -3.040 5.165 1.00 0.00 O ATOM 554 CB VAL A 106 0.890 -2.800 2.152 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.898 -4.261 1.731 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.848 -1.886 0.936 1.00 0.00 C ATOM 0 H VAL A 106 0.428 -0.647 3.705 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.223 -2.819 2.589 1.00 0.00 H new ATOM 0 HB VAL A 106 1.812 -2.599 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.747 -4.445 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.980 -4.894 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.027 -4.493 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.697 -2.103 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.079 -2.053 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.895 -0.846 1.260 1.00 0.00 H new ATOM 566 N GLU A 107 -1.002 -4.296 4.570 1.00 0.00 N ATOM 567 CA GLU A 107 -0.946 -5.134 5.762 1.00 0.00 C ATOM 568 C GLU A 107 -1.055 -4.288 7.028 1.00 0.00 C ATOM 569 O GLU A 107 -0.510 -4.641 8.073 1.00 0.00 O ATOM 570 CB GLU A 107 0.353 -5.941 5.785 1.00 0.00 C ATOM 571 CG GLU A 107 0.396 -7.054 4.751 1.00 0.00 C ATOM 572 CD GLU A 107 -0.797 -7.985 4.845 1.00 0.00 C ATOM 573 OE1 GLU A 107 -1.083 -8.473 5.958 1.00 0.00 O ATOM 574 OE2 GLU A 107 -1.446 -8.224 3.805 1.00 0.00 O ATOM 0 H GLU A 107 -1.753 -4.533 3.922 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.791 -5.821 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.193 -5.267 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.485 -6.373 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.433 -6.617 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.312 -7.630 4.881 1.00 0.00 H new ATOM 581 N GLY A 108 -1.762 -3.167 6.925 1.00 0.00 N ATOM 582 CA GLY A 108 -1.929 -2.287 8.067 1.00 0.00 C ATOM 583 C GLY A 108 -0.707 -1.426 8.318 1.00 0.00 C ATOM 584 O GLY A 108 -0.449 -1.019 9.451 1.00 0.00 O ATOM 0 H GLY A 108 -2.222 -2.852 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -2.795 -1.645 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.138 -2.884 8.955 1.00 0.00 H new ATOM 588 N ASP A 109 0.048 -1.149 7.261 1.00 0.00 N ATOM 589 CA ASP A 109 1.250 -0.331 7.373 1.00 0.00 C ATOM 590 C ASP A 109 1.394 0.591 6.166 1.00 0.00 C ATOM 591 O ASP A 109 1.339 0.145 5.020 1.00 0.00 O ATOM 592 CB ASP A 109 2.488 -1.221 7.500 1.00 0.00 C ATOM 593 CG ASP A 109 2.814 -1.554 8.943 1.00 0.00 C ATOM 594 OD1 ASP A 109 2.986 -0.613 9.746 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.897 -2.757 9.269 1.00 0.00 O ATOM 0 H ASP A 109 -0.151 -1.479 6.317 1.00 0.00 H new ATOM 0 HA ASP A 109 1.160 0.283 8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.327 -2.145 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.341 -0.719 7.044 1.00 0.00 H new ATOM 600 N LYS A 110 1.576 1.880 6.432 1.00 0.00 N ATOM 601 CA LYS A 110 1.727 2.867 5.369 1.00 0.00 C ATOM 602 C LYS A 110 3.012 2.626 4.582 1.00 0.00 C ATOM 603 O LYS A 110 4.038 2.255 5.150 1.00 0.00 O ATOM 604 CB LYS A 110 1.733 4.281 5.954 1.00 0.00 C ATOM 605 CG LYS A 110 0.387 4.714 6.510 1.00 0.00 C ATOM 606 CD LYS A 110 0.246 6.227 6.511 1.00 0.00 C ATOM 607 CE LYS A 110 -0.918 6.677 7.381 1.00 0.00 C ATOM 608 NZ LYS A 110 -0.996 8.161 7.478 1.00 0.00 N ATOM 0 H LYS A 110 1.623 2.266 7.375 1.00 0.00 H new ATOM 0 HA LYS A 110 0.880 2.765 4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.479 4.334 6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.040 4.984 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.413 4.273 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.273 4.336 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.169 6.679 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.097 6.580 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.850 6.290 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.811 6.253 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.802 8.428 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.117 8.528 7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.124 8.565 6.528 1.00 0.00 H new ATOM 622 N TRP A 111 2.947 2.841 3.273 1.00 0.00 N ATOM 623 CA TRP A 111 4.106 2.648 2.409 1.00 0.00 C ATOM 624 C TRP A 111 4.271 3.822 1.450 1.00 0.00 C ATOM 625 O TRP A 111 3.413 4.703 1.379 1.00 0.00 O ATOM 626 CB TRP A 111 3.968 1.345 1.619 1.00 0.00 C ATOM 627 CG TRP A 111 4.196 0.120 2.452 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.246 -0.626 3.090 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.454 -0.500 2.738 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.838 -1.672 3.755 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.192 -1.618 3.554 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.777 -0.221 2.383 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.204 -2.453 4.020 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.780 -1.051 2.846 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.490 -2.156 3.657 1.00 0.00 C ATOM 0 H TRP A 111 2.105 3.149 2.787 1.00 0.00 H new ATOM 0 HA TRP A 111 4.993 2.590 3.040 1.00 0.00 H new ATOM 0 HB2 TRP A 111 2.971 1.298 1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.679 1.352 0.793 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.185 -0.423 3.074 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.349 -2.375 4.309 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.011 0.628 1.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.982 -3.305 4.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.806 -0.844 2.578 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.297 -2.786 4.002 1.00 0.00 H new ATOM 646 N ILE A 112 5.378 3.829 0.715 1.00 0.00 N ATOM 647 CA ILE A 112 5.653 4.895 -0.240 1.00 0.00 C ATOM 648 C ILE A 112 5.663 4.364 -1.669 1.00 0.00 C ATOM 649 O ILE A 112 6.687 3.890 -2.160 1.00 0.00 O ATOM 650 CB ILE A 112 7.003 5.577 0.051 1.00 0.00 C ATOM 651 CG1 ILE A 112 7.002 6.180 1.458 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.291 6.648 -0.990 1.00 0.00 C ATOM 653 CD1 ILE A 112 7.399 5.197 2.537 1.00 0.00 C ATOM 0 H ILE A 112 6.099 3.109 0.763 1.00 0.00 H new ATOM 0 HA ILE A 112 4.854 5.628 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 112 7.791 4.826 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.686 7.028 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.007 6.566 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.248 7.121 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.330 6.193 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.502 7.399 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.376 5.693 3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.701 4.360 2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.406 4.829 2.341 1.00 0.00 H new ATOM 665 N ALA A 113 4.515 4.448 -2.334 1.00 0.00 N ATOM 666 CA ALA A 113 4.392 3.979 -3.708 1.00 0.00 C ATOM 667 C ALA A 113 4.170 5.144 -4.668 1.00 0.00 C ATOM 668 O ALA A 113 3.594 6.167 -4.295 1.00 0.00 O ATOM 669 CB ALA A 113 3.255 2.974 -3.824 1.00 0.00 C ATOM 0 H ALA A 113 3.657 4.837 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 113 5.326 3.488 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.175 2.632 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.455 2.122 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.320 3.447 -3.525 1.00 0.00 H new ATOM 675 N TYR A 114 4.631 4.983 -5.903 1.00 0.00 N ATOM 676 CA TYR A 114 4.486 6.023 -6.915 1.00 0.00 C ATOM 677 C TYR A 114 3.728 5.497 -8.130 1.00 0.00 C ATOM 678 O TYR A 114 4.145 4.529 -8.765 1.00 0.00 O ATOM 679 CB TYR A 114 5.859 6.544 -7.342 1.00 0.00 C ATOM 680 CG TYR A 114 6.814 5.453 -7.769 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.268 4.504 -6.861 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.264 5.371 -9.082 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.142 3.506 -7.247 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.136 4.375 -9.477 1.00 0.00 C ATOM 685 CZ TYR A 114 8.572 3.445 -8.556 1.00 0.00 C ATOM 686 OH TYR A 114 9.442 2.453 -8.946 1.00 0.00 O ATOM 0 H TYR A 114 5.108 4.142 -6.228 1.00 0.00 H new ATOM 0 HA TYR A 114 3.914 6.842 -6.479 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.732 7.247 -8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.301 7.099 -6.515 1.00 0.00 H new ATOM 0 HD1 TYR A 114 6.932 4.547 -5.836 1.00 0.00 H new ATOM 0 HD2 TYR A 114 6.926 6.098 -9.805 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.487 2.778 -6.528 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.475 4.325 -10.501 1.00 0.00 H new ATOM 0 HH TYR A 114 9.645 2.552 -9.900 1.00 0.00 H new ATOM 696 N SER A 115 2.612 6.145 -8.449 1.00 0.00 N ATOM 697 CA SER A 115 1.793 5.743 -9.587 1.00 0.00 C ATOM 698 C SER A 115 1.523 6.929 -10.508 1.00 0.00 C ATOM 699 O SER A 115 0.749 7.826 -10.172 1.00 0.00 O ATOM 700 CB SER A 115 0.470 5.146 -9.104 1.00 0.00 C ATOM 701 OG SER A 115 0.663 3.849 -8.565 1.00 0.00 O ATOM 0 H SER A 115 2.254 6.950 -7.936 1.00 0.00 H new ATOM 0 HA SER A 115 2.341 4.987 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.029 5.796 -8.348 1.00 0.00 H new ATOM 0 HB3 SER A 115 -0.235 5.097 -9.934 1.00 0.00 H new ATOM 0 HG SER A 115 0.521 3.179 -9.266 1.00 0.00 H new ATOM 707 N ASP A 116 2.166 6.926 -11.670 1.00 0.00 N ATOM 708 CA ASP A 116 1.995 8.000 -12.641 1.00 0.00 C ATOM 709 C ASP A 116 0.520 8.201 -12.975 1.00 0.00 C ATOM 710 O ASP A 116 0.096 9.305 -13.316 1.00 0.00 O ATOM 711 CB ASP A 116 2.782 7.694 -13.916 1.00 0.00 C ATOM 712 CG ASP A 116 4.281 7.747 -13.697 1.00 0.00 C ATOM 713 OD1 ASP A 116 4.784 8.816 -13.291 1.00 0.00 O ATOM 714 OD2 ASP A 116 4.952 6.720 -13.933 1.00 0.00 O ATOM 0 H ASP A 116 2.811 6.192 -11.963 1.00 0.00 H new ATOM 0 HA ASP A 116 2.378 8.920 -12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.506 6.705 -14.282 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.505 8.409 -14.691 1.00 0.00 H new ATOM 719 N GLU A 117 -0.256 7.126 -12.876 1.00 0.00 N ATOM 720 CA GLU A 117 -1.683 7.184 -13.170 1.00 0.00 C ATOM 721 C GLU A 117 -2.461 7.736 -11.979 1.00 0.00 C ATOM 722 O GLU A 117 -2.570 7.087 -10.939 1.00 0.00 O ATOM 723 CB GLU A 117 -2.208 5.795 -13.538 1.00 0.00 C ATOM 724 CG GLU A 117 -1.855 5.365 -14.951 1.00 0.00 C ATOM 725 CD GLU A 117 -1.893 3.859 -15.130 1.00 0.00 C ATOM 726 OE1 GLU A 117 -1.040 3.170 -14.532 1.00 0.00 O ATOM 727 OE2 GLU A 117 -2.775 3.371 -15.866 1.00 0.00 O ATOM 0 H GLU A 117 0.080 6.205 -12.595 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.827 7.854 -14.018 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.806 5.066 -12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -3.292 5.784 -13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.550 5.828 -15.652 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -0.859 5.732 -15.200 1.00 0.00 H new ATOM 734 N LYS A 118 -3.001 8.940 -12.139 1.00 0.00 N ATOM 735 CA LYS A 118 -3.770 9.581 -11.079 1.00 0.00 C ATOM 736 C LYS A 118 -4.664 8.570 -10.368 1.00 0.00 C ATOM 737 O LYS A 118 -5.604 8.034 -10.958 1.00 0.00 O ATOM 738 CB LYS A 118 -4.622 10.715 -11.654 1.00 0.00 C ATOM 739 CG LYS A 118 -5.446 10.305 -12.862 1.00 0.00 C ATOM 740 CD LYS A 118 -4.687 10.533 -14.158 1.00 0.00 C ATOM 741 CE LYS A 118 -5.631 10.853 -15.308 1.00 0.00 C ATOM 742 NZ LYS A 118 -4.938 11.579 -16.408 1.00 0.00 N ATOM 0 H LYS A 118 -2.920 9.491 -12.993 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.069 9.993 -10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.291 11.085 -10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -3.970 11.542 -11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -5.717 9.253 -12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.376 10.873 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.980 11.352 -14.028 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.104 9.644 -14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -6.058 9.928 -15.696 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -6.460 11.457 -14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.614 11.779 -17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.552 12.474 -16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.163 10.992 -16.777 1.00 0.00 H new ATOM 756 N LEU A 119 -4.368 8.315 -9.099 1.00 0.00 N ATOM 757 CA LEU A 119 -5.146 7.370 -8.306 1.00 0.00 C ATOM 758 C LEU A 119 -6.270 8.081 -7.559 1.00 0.00 C ATOM 759 O LEU A 119 -6.253 9.303 -7.409 1.00 0.00 O ATOM 760 CB LEU A 119 -4.240 6.640 -7.313 1.00 0.00 C ATOM 761 CG LEU A 119 -3.060 5.878 -7.916 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.278 5.156 -6.829 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.543 4.893 -8.971 1.00 0.00 C ATOM 0 H LEU A 119 -3.594 8.750 -8.596 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.590 6.643 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.851 7.370 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.849 5.936 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.396 6.597 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.442 4.619 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.899 5.882 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.932 4.448 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.689 4.360 -9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.229 4.179 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.057 5.434 -9.765 1.00 0.00 H new ATOM 775 N SER A 120 -7.244 7.307 -7.090 1.00 0.00 N ATOM 776 CA SER A 120 -8.377 7.864 -6.360 1.00 0.00 C ATOM 777 C SER A 120 -8.389 7.368 -4.917 1.00 0.00 C ATOM 778 O SER A 120 -8.199 6.179 -4.655 1.00 0.00 O ATOM 779 CB SER A 120 -9.689 7.490 -7.050 1.00 0.00 C ATOM 780 OG SER A 120 -9.506 7.342 -8.448 1.00 0.00 O ATOM 0 H SER A 120 -7.271 6.294 -7.202 1.00 0.00 H new ATOM 0 HA SER A 120 -8.275 8.949 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.072 6.560 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.437 8.259 -6.857 1.00 0.00 H new ATOM 0 HG SER A 120 -10.359 7.101 -8.866 1.00 0.00 H new ATOM 786 N LEU A 121 -8.614 8.286 -3.984 1.00 0.00 N ATOM 787 CA LEU A 121 -8.651 7.944 -2.567 1.00 0.00 C ATOM 788 C LEU A 121 -9.636 6.809 -2.306 1.00 0.00 C ATOM 789 O LEU A 121 -10.823 6.921 -2.609 1.00 0.00 O ATOM 790 CB LEU A 121 -9.037 9.169 -1.736 1.00 0.00 C ATOM 791 CG LEU A 121 -7.952 10.233 -1.565 1.00 0.00 C ATOM 792 CD1 LEU A 121 -8.576 11.612 -1.411 1.00 0.00 C ATOM 793 CD2 LEU A 121 -7.071 9.908 -0.367 1.00 0.00 C ATOM 0 H LEU A 121 -8.774 9.273 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.655 7.612 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.907 9.637 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.344 8.830 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.329 10.236 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -7.789 12.356 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -9.164 11.846 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -9.223 11.623 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.304 10.675 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.681 9.877 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.596 8.939 -0.517 1.00 0.00 H new ATOM 805 N GLY A 122 -9.134 5.715 -1.740 1.00 0.00 N ATOM 806 CA GLY A 122 -9.983 4.576 -1.447 1.00 0.00 C ATOM 807 C GLY A 122 -9.925 3.515 -2.528 1.00 0.00 C ATOM 808 O GLY A 122 -10.664 2.531 -2.482 1.00 0.00 O ATOM 0 H GLY A 122 -8.155 5.598 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.682 4.138 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.012 4.915 -1.330 1.00 0.00 H new ATOM 812 N ASP A 123 -9.046 3.715 -3.504 1.00 0.00 N ATOM 813 CA ASP A 123 -8.895 2.768 -4.602 1.00 0.00 C ATOM 814 C ASP A 123 -8.035 1.581 -4.181 1.00 0.00 C ATOM 815 O ASP A 123 -7.107 1.725 -3.385 1.00 0.00 O ATOM 816 CB ASP A 123 -8.273 3.459 -5.817 1.00 0.00 C ATOM 817 CG ASP A 123 -7.517 2.493 -6.708 1.00 0.00 C ATOM 818 OD1 ASP A 123 -8.120 1.488 -7.139 1.00 0.00 O ATOM 819 OD2 ASP A 123 -6.322 2.742 -6.974 1.00 0.00 O ATOM 0 H ASP A 123 -8.427 4.524 -3.557 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.885 2.399 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -9.058 3.945 -6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.595 4.243 -5.478 1.00 0.00 H new ATOM 824 N ARG A 124 -8.350 0.408 -4.720 1.00 0.00 N ATOM 825 CA ARG A 124 -7.607 -0.805 -4.398 1.00 0.00 C ATOM 826 C ARG A 124 -6.483 -1.037 -5.404 1.00 0.00 C ATOM 827 O ARG A 124 -6.727 -1.180 -6.602 1.00 0.00 O ATOM 828 CB ARG A 124 -8.546 -2.013 -4.379 1.00 0.00 C ATOM 829 CG ARG A 124 -7.996 -3.199 -3.604 1.00 0.00 C ATOM 830 CD ARG A 124 -9.106 -4.139 -3.161 1.00 0.00 C ATOM 831 NE ARG A 124 -8.603 -5.475 -2.854 1.00 0.00 N ATOM 832 CZ ARG A 124 -9.233 -6.333 -2.059 1.00 0.00 C ATOM 833 NH1 ARG A 124 -10.384 -5.996 -1.494 1.00 0.00 N ATOM 834 NH2 ARG A 124 -8.711 -7.531 -1.828 1.00 0.00 N ATOM 0 H ARG A 124 -9.114 0.272 -5.381 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.166 -0.680 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.499 -1.715 -3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.748 -2.322 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.284 -3.742 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.450 -2.842 -2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.600 -3.727 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.858 -4.207 -3.947 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.719 -5.765 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.788 -5.076 -1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.865 -6.657 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -7.826 -7.794 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.195 -8.189 -1.218 1.00 0.00 H new ATOM 848 N VAL A 125 -5.251 -1.073 -4.908 1.00 0.00 N ATOM 849 CA VAL A 125 -4.089 -1.288 -5.762 1.00 0.00 C ATOM 850 C VAL A 125 -3.265 -2.477 -5.281 1.00 0.00 C ATOM 851 O VAL A 125 -3.382 -2.901 -4.131 1.00 0.00 O ATOM 852 CB VAL A 125 -3.188 -0.039 -5.809 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.992 1.184 -6.222 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.517 0.184 -4.462 1.00 0.00 C ATOM 0 H VAL A 125 -5.031 -0.956 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.467 -1.493 -6.764 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.410 -0.201 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.339 2.056 -6.250 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.421 1.020 -7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.793 1.353 -5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.884 1.070 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.279 0.325 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.907 -0.684 -4.211 1.00 0.00 H new ATOM 864 N MET A 126 -2.432 -3.011 -6.168 1.00 0.00 N ATOM 865 CA MET A 126 -1.587 -4.151 -5.833 1.00 0.00 C ATOM 866 C MET A 126 -0.122 -3.846 -6.125 1.00 0.00 C ATOM 867 O MET A 126 0.219 -3.368 -7.207 1.00 0.00 O ATOM 868 CB MET A 126 -2.029 -5.388 -6.616 1.00 0.00 C ATOM 869 CG MET A 126 -1.183 -6.620 -6.336 1.00 0.00 C ATOM 870 SD MET A 126 -1.767 -8.079 -7.218 1.00 0.00 S ATOM 871 CE MET A 126 -2.942 -8.741 -6.039 1.00 0.00 C ATOM 0 H MET A 126 -2.324 -2.673 -7.124 1.00 0.00 H new ATOM 0 HA MET A 126 -1.693 -4.349 -4.766 1.00 0.00 H new ATOM 0 HB2 MET A 126 -3.069 -5.609 -6.374 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.990 -5.166 -7.682 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.150 -6.418 -6.619 1.00 0.00 H new ATOM 0 HG3 MET A 126 -1.186 -6.822 -5.265 1.00 0.00 H new ATOM 0 HE1 MET A 126 -3.108 -9.798 -6.245 1.00 0.00 H new ATOM 0 HE2 MET A 126 -2.548 -8.626 -5.029 1.00 0.00 H new ATOM 0 HE3 MET A 126 -3.886 -8.202 -6.124 1.00 0.00 H new ATOM 881 N VAL A 127 0.742 -4.127 -5.155 1.00 0.00 N ATOM 882 CA VAL A 127 2.171 -3.883 -5.309 1.00 0.00 C ATOM 883 C VAL A 127 2.774 -4.802 -6.366 1.00 0.00 C ATOM 884 O VAL A 127 2.618 -6.022 -6.306 1.00 0.00 O ATOM 885 CB VAL A 127 2.922 -4.087 -3.980 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.407 -3.805 -4.156 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.329 -3.202 -2.893 1.00 0.00 C ATOM 0 H VAL A 127 0.477 -4.524 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 127 2.283 -2.846 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 127 2.808 -5.127 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.921 -3.954 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.820 -4.483 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.545 -2.775 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.871 -3.358 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.412 -2.156 -3.190 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.279 -3.456 -2.749 1.00 0.00 H new ATOM 897 N VAL A 128 3.465 -4.208 -7.334 1.00 0.00 N ATOM 898 CA VAL A 128 4.093 -4.973 -8.405 1.00 0.00 C ATOM 899 C VAL A 128 5.598 -5.085 -8.189 1.00 0.00 C ATOM 900 O VAL A 128 6.215 -6.087 -8.553 1.00 0.00 O ATOM 901 CB VAL A 128 3.829 -4.333 -9.781 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.333 -2.898 -9.809 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.478 -5.156 -10.884 1.00 0.00 C ATOM 0 H VAL A 128 3.604 -3.200 -7.399 1.00 0.00 H new ATOM 0 HA VAL A 128 3.650 -5.969 -8.385 1.00 0.00 H new ATOM 0 HB VAL A 128 2.753 -4.318 -9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.138 -2.463 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.818 -2.316 -9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.405 -2.885 -9.614 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.282 -4.690 -11.849 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.554 -5.205 -10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.064 -6.164 -10.877 1.00 0.00 H new ATOM 913 N ASP A 129 6.184 -4.051 -7.595 1.00 0.00 N ATOM 914 CA ASP A 129 7.618 -4.034 -7.329 1.00 0.00 C ATOM 915 C ASP A 129 7.922 -3.275 -6.041 1.00 0.00 C ATOM 916 O ASP A 129 7.256 -2.293 -5.715 1.00 0.00 O ATOM 917 CB ASP A 129 8.368 -3.398 -8.500 1.00 0.00 C ATOM 918 CG ASP A 129 9.788 -3.915 -8.627 1.00 0.00 C ATOM 919 OD1 ASP A 129 9.969 -5.029 -9.161 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.718 -3.204 -8.192 1.00 0.00 O ATOM 0 H ASP A 129 5.688 -3.214 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 129 7.953 -5.064 -7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.828 -3.598 -9.425 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.389 -2.316 -8.370 1.00 0.00 H new ATOM 925 N VAL A 130 8.933 -3.737 -5.312 1.00 0.00 N ATOM 926 CA VAL A 130 9.327 -3.101 -4.060 1.00 0.00 C ATOM 927 C VAL A 130 10.838 -2.915 -3.989 1.00 0.00 C ATOM 928 O VAL A 130 11.596 -3.885 -4.031 1.00 0.00 O ATOM 929 CB VAL A 130 8.864 -3.925 -2.844 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.023 -3.121 -1.562 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.422 -4.376 -3.023 1.00 0.00 C ATOM 0 H VAL A 130 9.494 -4.550 -5.567 1.00 0.00 H new ATOM 0 HA VAL A 130 8.843 -2.125 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 130 9.492 -4.813 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 130 8.691 -3.719 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 130 10.071 -2.852 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 130 8.421 -2.214 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.112 -4.957 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.778 -3.503 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.342 -4.992 -3.919 1.00 0.00 H new ATOM 941 N ASP A 131 11.270 -1.664 -3.882 1.00 0.00 N ATOM 942 CA ASP A 131 12.692 -1.350 -3.803 1.00 0.00 C ATOM 943 C ASP A 131 13.094 -1.005 -2.372 1.00 0.00 C ATOM 944 O ASP A 131 14.031 -0.240 -2.147 1.00 0.00 O ATOM 945 CB ASP A 131 13.031 -0.186 -4.736 1.00 0.00 C ATOM 946 CG ASP A 131 14.444 -0.272 -5.278 1.00 0.00 C ATOM 947 OD1 ASP A 131 14.663 -1.027 -6.247 1.00 0.00 O ATOM 948 OD2 ASP A 131 15.333 0.416 -4.731 1.00 0.00 O ATOM 0 H ASP A 131 10.656 -0.850 -3.848 1.00 0.00 H new ATOM 0 HA ASP A 131 13.252 -2.231 -4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.326 -0.173 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 131 12.907 0.754 -4.199 1.00 0.00 H new ATOM 953 N GLY A 132 12.376 -1.574 -1.408 1.00 0.00 N ATOM 954 CA GLY A 132 12.673 -1.314 -0.011 1.00 0.00 C ATOM 955 C GLY A 132 11.595 -0.491 0.667 1.00 0.00 C ATOM 956 O GLY A 132 10.499 -0.988 0.933 1.00 0.00 O ATOM 0 H GLY A 132 11.595 -2.210 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 132 12.788 -2.262 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.626 -0.791 0.063 1.00 0.00 H new ATOM 960 N LEU A 133 11.904 0.769 0.949 1.00 0.00 N ATOM 961 CA LEU A 133 10.954 1.663 1.602 1.00 0.00 C ATOM 962 C LEU A 133 9.996 2.276 0.586 1.00 0.00 C ATOM 963 O LEU A 133 9.373 3.305 0.845 1.00 0.00 O ATOM 964 CB LEU A 133 11.697 2.770 2.352 1.00 0.00 C ATOM 965 CG LEU A 133 10.866 3.581 3.347 1.00 0.00 C ATOM 966 CD1 LEU A 133 10.806 2.875 4.692 1.00 0.00 C ATOM 967 CD2 LEU A 133 11.439 4.982 3.502 1.00 0.00 C ATOM 0 H LEU A 133 12.806 1.196 0.736 1.00 0.00 H new ATOM 0 HA LEU A 133 10.373 1.077 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.532 2.320 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 133 12.121 3.456 1.619 1.00 0.00 H new ATOM 0 HG LEU A 133 9.851 3.666 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.211 3.467 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.349 1.893 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 133 11.815 2.758 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 133 10.835 5.545 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 133 12.464 4.918 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 133 11.429 5.488 2.537 1.00 0.00 H new ATOM 979 N LYS A 134 9.881 1.634 -0.572 1.00 0.00 N ATOM 980 CA LYS A 134 8.996 2.113 -1.628 1.00 0.00 C ATOM 981 C LYS A 134 8.660 0.992 -2.606 1.00 0.00 C ATOM 982 O LYS A 134 9.527 0.203 -2.983 1.00 0.00 O ATOM 983 CB LYS A 134 9.645 3.280 -2.376 1.00 0.00 C ATOM 984 CG LYS A 134 10.870 2.880 -3.180 1.00 0.00 C ATOM 985 CD LYS A 134 10.501 2.491 -4.602 1.00 0.00 C ATOM 986 CE LYS A 134 11.628 2.801 -5.575 1.00 0.00 C ATOM 987 NZ LYS A 134 11.716 4.257 -5.877 1.00 0.00 N ATOM 0 H LYS A 134 10.390 0.781 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 134 8.071 2.456 -1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 134 8.910 3.725 -3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.928 4.049 -1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.579 3.708 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.370 2.044 -2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.268 1.427 -4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.600 3.025 -4.904 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.574 2.459 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.471 2.247 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.377 4.409 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 10.776 4.614 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.057 4.766 -5.036 1.00 0.00 H new ATOM 1001 N LEU A 135 7.398 0.929 -3.016 1.00 0.00 N ATOM 1002 CA LEU A 135 6.948 -0.095 -3.952 1.00 0.00 C ATOM 1003 C LEU A 135 5.926 0.475 -4.932 1.00 0.00 C ATOM 1004 O LEU A 135 5.156 1.372 -4.591 1.00 0.00 O ATOM 1005 CB LEU A 135 6.340 -1.276 -3.194 1.00 0.00 C ATOM 1006 CG LEU A 135 5.671 -0.945 -1.859 1.00 0.00 C ATOM 1007 CD1 LEU A 135 6.699 -0.440 -0.859 1.00 0.00 C ATOM 1008 CD2 LEU A 135 4.567 0.083 -2.057 1.00 0.00 C ATOM 0 H LEU A 135 6.668 1.575 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 135 7.813 -0.441 -4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.602 -1.754 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.126 -2.008 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 135 5.224 -1.856 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.205 -0.209 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.455 -1.208 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 135 7.175 0.460 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.102 0.307 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.991 0.996 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.817 -0.316 -2.740 1.00 0.00 H new ATOM 1020 N LYS A 136 5.925 -0.054 -6.151 1.00 0.00 N ATOM 1021 CA LYS A 136 4.997 0.398 -7.181 1.00 0.00 C ATOM 1022 C LYS A 136 3.657 -0.321 -7.059 1.00 0.00 C ATOM 1023 O LYS A 136 3.607 -1.520 -6.785 1.00 0.00 O ATOM 1024 CB LYS A 136 5.591 0.162 -8.571 1.00 0.00 C ATOM 1025 CG LYS A 136 5.021 1.079 -9.640 1.00 0.00 C ATOM 1026 CD LYS A 136 3.754 0.504 -10.250 1.00 0.00 C ATOM 1027 CE LYS A 136 3.196 1.413 -11.335 1.00 0.00 C ATOM 1028 NZ LYS A 136 2.232 0.697 -12.216 1.00 0.00 N ATOM 0 H LYS A 136 6.557 -0.797 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 136 4.830 1.466 -7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.671 0.301 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.415 -0.874 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 136 4.806 2.056 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 136 5.764 1.234 -10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 136 3.965 -0.479 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 136 3.005 0.363 -9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 136 2.701 2.268 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 136 4.016 1.806 -11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 2.320 1.053 -13.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 2.439 -0.322 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 1.263 0.859 -11.874 1.00 0.00 H new ATOM 1042 N VAL A 137 2.573 0.419 -7.267 1.00 0.00 N ATOM 1043 CA VAL A 137 1.232 -0.149 -7.184 1.00 0.00 C ATOM 1044 C VAL A 137 0.479 0.025 -8.497 1.00 0.00 C ATOM 1045 O VAL A 137 0.642 1.029 -9.192 1.00 0.00 O ATOM 1046 CB VAL A 137 0.418 0.498 -6.048 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.163 0.388 -4.726 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.109 1.951 -6.376 1.00 0.00 C ATOM 0 H VAL A 137 2.597 1.413 -7.494 1.00 0.00 H new ATOM 0 HA VAL A 137 1.351 -1.212 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.526 -0.038 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.572 0.851 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.328 -0.663 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.123 0.897 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.467 2.393 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.041 2.502 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.469 2.001 -7.299 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.349 -0.958 -8.834 1.00 0.00 N ATOM 1059 CA LYS A 138 -1.130 -0.915 -10.064 1.00 0.00 C ATOM 1060 C LYS A 138 -2.623 -0.851 -9.758 1.00 0.00 C ATOM 1061 O LYS A 138 -3.142 -1.651 -8.980 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.828 -2.141 -10.928 1.00 0.00 C ATOM 1063 CG LYS A 138 0.405 -1.982 -11.800 1.00 0.00 C ATOM 1064 CD LYS A 138 0.311 -2.827 -13.059 1.00 0.00 C ATOM 1065 CE LYS A 138 0.325 -4.313 -12.736 1.00 0.00 C ATOM 1066 NZ LYS A 138 -1.027 -4.813 -12.362 1.00 0.00 N ATOM 0 H LYS A 138 -0.496 -1.796 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.850 -0.015 -10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.695 -3.008 -10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.689 -2.347 -11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.526 -0.934 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.291 -2.268 -11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -0.604 -2.579 -13.597 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.144 -2.590 -13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 138 0.692 -4.869 -13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 138 1.020 -4.500 -11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -1.166 -5.766 -12.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.109 -4.851 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -1.752 -4.172 -12.744 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.309 0.106 -10.376 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.742 0.274 -10.169 1.00 0.00 C ATOM 1082 C ARG A 139 -5.500 -0.988 -10.570 1.00 0.00 C ATOM 1083 O ARG A 139 -5.426 -1.431 -11.717 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.258 1.469 -10.972 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.775 1.553 -11.033 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.346 2.217 -9.790 1.00 0.00 C ATOM 1087 NE ARG A 139 -8.788 2.015 -9.676 1.00 0.00 N ATOM 1088 CZ ARG A 139 -9.677 2.591 -10.477 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -9.273 3.400 -11.447 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -10.972 2.358 -10.310 1.00 0.00 N ATOM 0 H ARG A 139 -2.895 0.776 -11.024 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.912 0.458 -9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -4.869 2.387 -10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -4.865 1.411 -11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.074 2.115 -11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.192 0.551 -11.136 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -6.852 1.815 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.130 3.285 -9.818 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.131 1.397 -8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.278 3.581 -11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -9.957 3.841 -12.061 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -11.286 1.736 -9.566 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.654 2.801 -10.926 1.00 0.00 H new ATOM 1104 N ILE A 140 -6.229 -1.562 -9.619 1.00 0.00 N ATOM 1105 CA ILE A 140 -7.001 -2.772 -9.873 1.00 0.00 C ATOM 1106 C ILE A 140 -8.458 -2.592 -9.459 1.00 0.00 C ATOM 1107 O ILE A 140 -8.766 -2.016 -8.416 1.00 0.00 O ATOM 1108 CB ILE A 140 -6.412 -3.983 -9.126 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.382 -3.715 -7.620 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -5.016 -4.296 -9.642 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -5.992 -4.924 -6.799 1.00 0.00 C ATOM 0 H ILE A 140 -6.301 -1.208 -8.665 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.951 -2.958 -10.946 1.00 0.00 H new ATOM 0 HB ILE A 140 -7.048 -4.849 -9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.680 -2.906 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.366 -3.371 -7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.613 -5.154 -9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -5.064 -4.525 -10.707 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -4.368 -3.433 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -5.992 -4.661 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.707 -5.728 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -4.996 -5.256 -7.091 1.00 0.00 H new