USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 603 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 73 SER OG : rot 30:sc= 0.324 USER MOD Single : A 79 ASN : amide:sc= 0.772 K(o=0.77,f=-0.17) USER MOD Single : A 85 THR OG1 : rot -85:sc= 0.22 USER MOD Single : A 89 MET CE :methyl -169:sc= 0 (180deg=-0.184) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 150:sc= -0.206 (180deg=-1.49!) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.5 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-2.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= 0.0582 X(o=0.058,f=-0.1) USER MOD Single : A 131 MET CE :methyl -111:sc= -1.43 (180deg=-6.37!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN : amide:sc= -0.0506 K(o=-0.051,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.917 3.518 6.879 1.00 0.00 N ATOM 200 CA SER A 73 -3.553 3.274 6.424 1.00 0.00 C ATOM 201 C SER A 73 -3.549 2.476 5.124 1.00 0.00 C ATOM 202 O SER A 73 -3.153 1.310 5.100 1.00 0.00 O ATOM 203 CB SER A 73 -2.760 2.526 7.498 1.00 0.00 C ATOM 204 OG SER A 73 -3.007 3.067 8.784 1.00 0.00 O ATOM 0 HA SER A 73 -3.080 4.238 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.032 1.470 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.695 2.584 7.274 1.00 0.00 H new ATOM 0 HG SER A 73 -3.912 3.442 8.813 1.00 0.00 H new ATOM 210 N ARG A 74 -3.992 3.112 4.045 1.00 0.00 N ATOM 211 CA ARG A 74 -4.041 2.462 2.741 1.00 0.00 C ATOM 212 C ARG A 74 -2.948 3.002 1.823 1.00 0.00 C ATOM 213 O ARG A 74 -2.864 4.207 1.581 1.00 0.00 O ATOM 214 CB ARG A 74 -5.412 2.670 2.095 1.00 0.00 C ATOM 215 CG ARG A 74 -6.482 1.726 2.621 1.00 0.00 C ATOM 216 CD ARG A 74 -7.878 2.211 2.261 1.00 0.00 C ATOM 217 NE ARG A 74 -8.884 1.170 2.450 1.00 0.00 N ATOM 218 CZ ARG A 74 -8.964 0.079 1.695 1.00 0.00 C ATOM 219 NH1 ARG A 74 -8.101 -0.111 0.707 1.00 0.00 N ATOM 220 NH2 ARG A 74 -9.908 -0.823 1.928 1.00 0.00 N ATOM 0 H ARG A 74 -4.322 4.077 4.048 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.874 1.395 2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.732 3.698 2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.320 2.537 1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.324 0.729 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.393 1.641 3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.131 3.075 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.890 2.543 1.223 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.563 1.286 3.203 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.374 0.581 0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.164 -0.949 0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.574 -0.680 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.968 -1.660 1.348 1.00 0.00 H new ATOM 234 N LEU A 75 -2.112 2.103 1.315 1.00 0.00 N ATOM 235 CA LEU A 75 -1.023 2.488 0.424 1.00 0.00 C ATOM 236 C LEU A 75 -1.337 2.102 -1.018 1.00 0.00 C ATOM 237 O LEU A 75 -1.809 0.997 -1.287 1.00 0.00 O ATOM 238 CB LEU A 75 0.283 1.828 0.868 1.00 0.00 C ATOM 239 CG LEU A 75 0.985 2.467 2.066 1.00 0.00 C ATOM 240 CD1 LEU A 75 2.268 1.719 2.395 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.278 3.935 1.792 1.00 0.00 C ATOM 0 H LEU A 75 -2.167 1.102 1.505 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.911 3.571 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.076 0.785 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.973 1.831 0.024 1.00 0.00 H new ATOM 0 HG LEU A 75 0.320 2.404 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.754 2.188 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.033 0.682 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.938 1.750 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.778 4.374 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.923 4.020 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.343 4.464 1.606 1.00 0.00 H new ATOM 253 N PHE A 76 -1.071 3.019 -1.942 1.00 0.00 N ATOM 254 CA PHE A 76 -1.324 2.775 -3.357 1.00 0.00 C ATOM 255 C PHE A 76 -0.019 2.530 -4.108 1.00 0.00 C ATOM 256 O PHE A 76 0.856 3.396 -4.154 1.00 0.00 O ATOM 257 CB PHE A 76 -2.068 3.960 -3.976 1.00 0.00 C ATOM 258 CG PHE A 76 -2.057 3.956 -5.478 1.00 0.00 C ATOM 259 CD1 PHE A 76 -2.887 3.104 -6.188 1.00 0.00 C ATOM 260 CD2 PHE A 76 -1.216 4.805 -6.180 1.00 0.00 C ATOM 261 CE1 PHE A 76 -2.879 3.099 -7.570 1.00 0.00 C ATOM 262 CE2 PHE A 76 -1.204 4.804 -7.562 1.00 0.00 C ATOM 263 CZ PHE A 76 -2.036 3.949 -8.258 1.00 0.00 C ATOM 0 H PHE A 76 -0.680 3.938 -1.736 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.944 1.882 -3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.101 3.952 -3.628 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.619 4.887 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.548 2.436 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.563 5.475 -5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.532 2.431 -8.112 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.545 5.471 -8.097 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.027 3.945 -9.338 1.00 0.00 H new ATOM 273 N VAL A 77 0.106 1.345 -4.696 1.00 0.00 N ATOM 274 CA VAL A 77 1.303 0.985 -5.447 1.00 0.00 C ATOM 275 C VAL A 77 1.037 1.002 -6.948 1.00 0.00 C ATOM 276 O VAL A 77 0.347 0.131 -7.476 1.00 0.00 O ATOM 277 CB VAL A 77 1.820 -0.408 -5.043 1.00 0.00 C ATOM 278 CG1 VAL A 77 3.053 -0.776 -5.856 1.00 0.00 C ATOM 279 CG2 VAL A 77 2.121 -0.454 -3.553 1.00 0.00 C ATOM 0 H VAL A 77 -0.608 0.617 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 77 2.062 1.730 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 77 1.041 -1.141 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.405 -1.763 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.800 -0.787 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.839 -0.042 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.485 -1.446 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.882 0.289 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.212 -0.238 -2.991 1.00 0.00 H new ATOM 289 N GLY A 78 1.590 2.000 -7.630 1.00 0.00 N ATOM 290 CA GLY A 78 1.401 2.111 -9.065 1.00 0.00 C ATOM 291 C GLY A 78 2.640 1.718 -9.845 1.00 0.00 C ATOM 292 O GLY A 78 3.729 1.616 -9.282 1.00 0.00 O ATOM 0 H GLY A 78 2.165 2.733 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.568 1.477 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.129 3.137 -9.314 1.00 0.00 H new ATOM 296 N ASN A 79 2.473 1.497 -11.145 1.00 0.00 N ATOM 297 CA ASN A 79 3.587 1.111 -12.003 1.00 0.00 C ATOM 298 C ASN A 79 4.071 -0.297 -11.666 1.00 0.00 C ATOM 299 O ASN A 79 5.273 -0.566 -11.657 1.00 0.00 O ATOM 300 CB ASN A 79 4.739 2.107 -11.858 1.00 0.00 C ATOM 301 CG ASN A 79 5.551 2.241 -13.132 1.00 0.00 C ATOM 302 OD1 ASN A 79 5.495 3.266 -13.812 1.00 0.00 O ATOM 303 ND2 ASN A 79 6.312 1.203 -13.460 1.00 0.00 N ATOM 0 H ASN A 79 1.578 1.579 -11.627 1.00 0.00 H new ATOM 0 HA ASN A 79 3.237 1.118 -13.035 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.340 3.083 -11.581 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.392 1.787 -11.046 1.00 0.00 H new ATOM 0 HD21 ASN A 79 6.881 1.235 -14.306 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.327 0.374 -12.866 1.00 0.00 H new ATOM 310 N LEU A 80 3.127 -1.190 -11.391 1.00 0.00 N ATOM 311 CA LEU A 80 3.457 -2.571 -11.054 1.00 0.00 C ATOM 312 C LEU A 80 3.828 -3.363 -12.304 1.00 0.00 C ATOM 313 O LEU A 80 3.194 -3.248 -13.353 1.00 0.00 O ATOM 314 CB LEU A 80 2.277 -3.239 -10.346 1.00 0.00 C ATOM 315 CG LEU A 80 2.116 -2.916 -8.860 1.00 0.00 C ATOM 316 CD1 LEU A 80 0.845 -3.546 -8.311 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.330 -3.392 -8.076 1.00 0.00 C ATOM 0 H LEU A 80 2.128 -0.983 -11.395 1.00 0.00 H new ATOM 0 HA LEU A 80 4.317 -2.560 -10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.360 -2.952 -10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.378 -4.319 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 80 2.038 -1.834 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.748 -3.305 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.017 -3.157 -8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.893 -4.628 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.198 -3.154 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.439 -4.470 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.224 -2.894 -8.451 1.00 0.00 H new ATOM 329 N PRO A 81 4.880 -4.188 -12.191 1.00 0.00 N ATOM 330 CA PRO A 81 5.358 -5.017 -13.301 1.00 0.00 C ATOM 331 C PRO A 81 4.388 -6.142 -13.644 1.00 0.00 C ATOM 332 O PRO A 81 3.598 -6.589 -12.812 1.00 0.00 O ATOM 333 CB PRO A 81 6.676 -5.589 -12.774 1.00 0.00 C ATOM 334 CG PRO A 81 6.530 -5.575 -11.292 1.00 0.00 C ATOM 335 CD PRO A 81 5.683 -4.375 -10.971 1.00 0.00 C ATOM 0 HA PRO A 81 5.464 -4.444 -14.222 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.845 -6.600 -13.145 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.525 -4.985 -13.094 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.058 -6.492 -10.938 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.503 -5.508 -10.805 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.053 -4.549 -10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.294 -3.499 -10.754 1.00 0.00 H new ATOM 343 N PRO A 82 4.447 -6.613 -14.899 1.00 0.00 N ATOM 344 CA PRO A 82 3.580 -7.693 -15.380 1.00 0.00 C ATOM 345 C PRO A 82 3.930 -9.039 -14.754 1.00 0.00 C ATOM 346 O PRO A 82 3.322 -10.060 -15.075 1.00 0.00 O ATOM 347 CB PRO A 82 3.849 -7.719 -16.887 1.00 0.00 C ATOM 348 CG PRO A 82 5.217 -7.150 -17.038 1.00 0.00 C ATOM 349 CD PRO A 82 5.363 -6.128 -15.944 1.00 0.00 C ATOM 0 HA PRO A 82 2.535 -7.522 -15.122 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.797 -8.734 -17.281 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.112 -7.128 -17.431 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.975 -7.928 -16.949 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.343 -6.692 -18.019 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.390 -6.070 -15.583 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.089 -5.130 -16.287 1.00 0.00 H new ATOM 357 N ASP A 83 4.912 -9.033 -13.860 1.00 0.00 N ATOM 358 CA ASP A 83 5.341 -10.254 -13.187 1.00 0.00 C ATOM 359 C ASP A 83 5.142 -10.142 -11.679 1.00 0.00 C ATOM 360 O ASP A 83 5.837 -10.796 -10.901 1.00 0.00 O ATOM 361 CB ASP A 83 6.810 -10.544 -13.500 1.00 0.00 C ATOM 362 CG ASP A 83 6.993 -11.220 -14.845 1.00 0.00 C ATOM 363 OD1 ASP A 83 6.728 -10.568 -15.877 1.00 0.00 O ATOM 364 OD2 ASP A 83 7.403 -12.399 -14.865 1.00 0.00 O ATOM 0 H ASP A 83 5.426 -8.196 -13.584 1.00 0.00 H new ATOM 0 HA ASP A 83 4.729 -11.077 -13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.373 -9.610 -13.486 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.227 -11.179 -12.718 1.00 0.00 H new ATOM 369 N ILE A 84 4.189 -9.310 -11.273 1.00 0.00 N ATOM 370 CA ILE A 84 3.898 -9.113 -9.859 1.00 0.00 C ATOM 371 C ILE A 84 2.704 -9.953 -9.420 1.00 0.00 C ATOM 372 O ILE A 84 1.661 -9.960 -10.075 1.00 0.00 O ATOM 373 CB ILE A 84 3.614 -7.633 -9.543 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.451 -7.432 -8.035 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.369 -7.163 -10.282 1.00 0.00 C ATOM 376 CD1 ILE A 84 4.766 -7.307 -7.297 1.00 0.00 C ATOM 0 H ILE A 84 3.605 -8.761 -11.904 1.00 0.00 H new ATOM 0 HA ILE A 84 4.784 -9.430 -9.309 1.00 0.00 H new ATOM 0 HB ILE A 84 4.461 -7.036 -9.881 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.858 -6.535 -7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.891 -8.271 -7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.181 -6.115 -10.049 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.520 -7.274 -11.356 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.513 -7.763 -9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.574 -7.167 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.353 -8.214 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.319 -6.450 -7.682 1.00 0.00 H new ATOM 388 N THR A 85 2.863 -10.662 -8.307 1.00 0.00 N ATOM 389 CA THR A 85 1.798 -11.506 -7.780 1.00 0.00 C ATOM 390 C THR A 85 1.614 -11.289 -6.282 1.00 0.00 C ATOM 391 O THR A 85 2.495 -10.751 -5.612 1.00 0.00 O ATOM 392 CB THR A 85 2.083 -12.998 -8.039 1.00 0.00 C ATOM 393 OG1 THR A 85 3.244 -13.409 -7.309 1.00 0.00 O ATOM 394 CG2 THR A 85 2.292 -13.259 -9.523 1.00 0.00 C ATOM 0 H THR A 85 3.719 -10.668 -7.753 1.00 0.00 H new ATOM 0 HA THR A 85 0.884 -11.222 -8.301 1.00 0.00 H new ATOM 0 HB THR A 85 1.221 -13.574 -7.703 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.048 -13.210 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.492 -14.319 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.395 -12.972 -10.073 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.139 -12.673 -9.880 1.00 0.00 H new ATOM 402 N GLU A 86 0.465 -11.710 -5.764 1.00 0.00 N ATOM 403 CA GLU A 86 0.167 -11.561 -4.345 1.00 0.00 C ATOM 404 C GLU A 86 1.382 -11.917 -3.493 1.00 0.00 C ATOM 405 O GLU A 86 1.662 -11.264 -2.489 1.00 0.00 O ATOM 406 CB GLU A 86 -1.021 -12.443 -3.954 1.00 0.00 C ATOM 407 CG GLU A 86 -2.340 -11.991 -4.557 1.00 0.00 C ATOM 408 CD GLU A 86 -3.408 -13.065 -4.497 1.00 0.00 C ATOM 409 OE1 GLU A 86 -4.008 -13.247 -3.417 1.00 0.00 O ATOM 410 OE2 GLU A 86 -3.644 -13.725 -5.531 1.00 0.00 O ATOM 0 H GLU A 86 -0.275 -12.157 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.090 -10.518 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.820 -13.468 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.113 -12.454 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.692 -11.105 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.180 -11.701 -5.595 1.00 0.00 H new ATOM 417 N GLU A 87 2.098 -12.960 -3.902 1.00 0.00 N ATOM 418 CA GLU A 87 3.282 -13.404 -3.176 1.00 0.00 C ATOM 419 C GLU A 87 4.325 -12.292 -3.103 1.00 0.00 C ATOM 420 O GLU A 87 4.714 -11.864 -2.017 1.00 0.00 O ATOM 421 CB GLU A 87 3.885 -14.640 -3.847 1.00 0.00 C ATOM 422 CG GLU A 87 5.059 -15.234 -3.087 1.00 0.00 C ATOM 423 CD GLU A 87 5.438 -16.615 -3.585 1.00 0.00 C ATOM 424 OE1 GLU A 87 5.160 -16.917 -4.765 1.00 0.00 O ATOM 425 OE2 GLU A 87 6.011 -17.394 -2.795 1.00 0.00 O ATOM 0 H GLU A 87 1.879 -13.512 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 87 2.979 -13.661 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.110 -15.399 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.211 -14.374 -4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.919 -14.570 -3.178 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.810 -15.290 -2.027 1.00 0.00 H new ATOM 432 N GLU A 88 4.772 -11.831 -4.266 1.00 0.00 N ATOM 433 CA GLU A 88 5.771 -10.770 -4.334 1.00 0.00 C ATOM 434 C GLU A 88 5.403 -9.617 -3.404 1.00 0.00 C ATOM 435 O GLU A 88 6.233 -9.139 -2.633 1.00 0.00 O ATOM 436 CB GLU A 88 5.908 -10.259 -5.769 1.00 0.00 C ATOM 437 CG GLU A 88 6.861 -11.082 -6.620 1.00 0.00 C ATOM 438 CD GLU A 88 6.329 -12.471 -6.913 1.00 0.00 C ATOM 439 OE1 GLU A 88 6.168 -13.258 -5.957 1.00 0.00 O ATOM 440 OE2 GLU A 88 6.074 -12.772 -8.098 1.00 0.00 O ATOM 0 H GLU A 88 4.459 -12.175 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 88 6.726 -11.184 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.925 -10.255 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.255 -9.226 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.045 -10.562 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.820 -11.165 -6.109 1.00 0.00 H new ATOM 447 N MET A 89 4.152 -9.175 -3.486 1.00 0.00 N ATOM 448 CA MET A 89 3.673 -8.079 -2.652 1.00 0.00 C ATOM 449 C MET A 89 3.866 -8.396 -1.173 1.00 0.00 C ATOM 450 O MET A 89 4.468 -7.616 -0.434 1.00 0.00 O ATOM 451 CB MET A 89 2.196 -7.800 -2.937 1.00 0.00 C ATOM 452 CG MET A 89 1.695 -6.500 -2.329 1.00 0.00 C ATOM 453 SD MET A 89 0.236 -5.857 -3.171 1.00 0.00 S ATOM 454 CE MET A 89 0.766 -4.186 -3.537 1.00 0.00 C ATOM 0 H MET A 89 3.452 -9.559 -4.121 1.00 0.00 H new ATOM 0 HA MET A 89 4.256 -7.191 -2.894 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.042 -7.770 -4.016 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.598 -8.626 -2.552 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.461 -6.662 -1.277 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.490 -5.755 -2.368 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.087 -3.600 -3.879 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.181 -3.731 -2.638 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.527 -4.208 -4.317 1.00 0.00 H new ATOM 464 N ARG A 90 3.352 -9.545 -0.747 1.00 0.00 N ATOM 465 CA ARG A 90 3.467 -9.964 0.645 1.00 0.00 C ATOM 466 C ARG A 90 4.923 -9.945 1.100 1.00 0.00 C ATOM 467 O ARG A 90 5.218 -9.666 2.263 1.00 0.00 O ATOM 468 CB ARG A 90 2.883 -11.367 0.827 1.00 0.00 C ATOM 469 CG ARG A 90 1.405 -11.370 1.183 1.00 0.00 C ATOM 470 CD ARG A 90 1.012 -12.641 1.920 1.00 0.00 C ATOM 471 NE ARG A 90 1.759 -12.804 3.164 1.00 0.00 N ATOM 472 CZ ARG A 90 1.709 -13.901 3.913 1.00 0.00 C ATOM 473 NH1 ARG A 90 0.952 -14.925 3.544 1.00 0.00 N ATOM 474 NH2 ARG A 90 2.418 -13.974 5.032 1.00 0.00 N ATOM 0 H ARG A 90 2.852 -10.202 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 90 2.904 -9.260 1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.028 -11.934 -0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.438 -11.884 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.177 -10.503 1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.811 -11.276 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.056 -12.618 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.187 -13.503 1.276 1.00 0.00 H new ATOM 0 HE ARG A 90 2.351 -12.034 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.406 -14.872 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.915 -15.766 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.002 -13.188 5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.379 -14.816 5.606 1.00 0.00 H new ATOM 488 N LYS A 91 5.830 -10.243 0.177 1.00 0.00 N ATOM 489 CA LYS A 91 7.256 -10.259 0.481 1.00 0.00 C ATOM 490 C LYS A 91 7.830 -8.846 0.475 1.00 0.00 C ATOM 491 O LYS A 91 8.687 -8.509 1.293 1.00 0.00 O ATOM 492 CB LYS A 91 8.005 -11.129 -0.531 1.00 0.00 C ATOM 493 CG LYS A 91 9.340 -11.643 -0.021 1.00 0.00 C ATOM 494 CD LYS A 91 10.442 -10.614 -0.210 1.00 0.00 C ATOM 495 CE LYS A 91 11.041 -10.689 -1.606 1.00 0.00 C ATOM 496 NZ LYS A 91 11.853 -9.482 -1.926 1.00 0.00 N ATOM 0 H LYS A 91 5.603 -10.477 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 91 7.384 -10.680 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.378 -11.978 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.171 -10.552 -1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.254 -11.896 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.603 -12.560 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.042 -9.615 -0.038 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.224 -10.776 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.666 -11.579 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.241 -10.794 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.244 -9.571 -2.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.251 -8.635 -1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.631 -9.396 -1.242 1.00 0.00 H new ATOM 510 N LEU A 92 7.351 -8.022 -0.451 1.00 0.00 N ATOM 511 CA LEU A 92 7.816 -6.644 -0.562 1.00 0.00 C ATOM 512 C LEU A 92 7.560 -5.876 0.731 1.00 0.00 C ATOM 513 O LEU A 92 8.320 -4.978 1.093 1.00 0.00 O ATOM 514 CB LEU A 92 7.120 -5.943 -1.731 1.00 0.00 C ATOM 515 CG LEU A 92 7.670 -6.253 -3.123 1.00 0.00 C ATOM 516 CD1 LEU A 92 6.707 -5.772 -4.197 1.00 0.00 C ATOM 517 CD2 LEU A 92 9.040 -5.617 -3.309 1.00 0.00 C ATOM 0 H LEU A 92 6.641 -8.284 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 92 8.890 -6.663 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.064 -6.210 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.179 -4.867 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 92 7.777 -7.334 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.116 -6.001 -5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.747 -6.274 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.567 -4.695 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.416 -5.848 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.958 -4.536 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.728 -6.010 -2.561 1.00 0.00 H new ATOM 529 N PHE A 93 6.485 -6.238 1.424 1.00 0.00 N ATOM 530 CA PHE A 93 6.129 -5.584 2.678 1.00 0.00 C ATOM 531 C PHE A 93 6.311 -6.535 3.858 1.00 0.00 C ATOM 532 O PHE A 93 5.535 -6.510 4.813 1.00 0.00 O ATOM 533 CB PHE A 93 4.682 -5.088 2.627 1.00 0.00 C ATOM 534 CG PHE A 93 4.447 -4.033 1.584 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.618 -4.319 0.239 1.00 0.00 C ATOM 536 CD2 PHE A 93 4.055 -2.755 1.949 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.404 -3.349 -0.722 1.00 0.00 C ATOM 538 CE2 PHE A 93 3.838 -1.781 0.992 1.00 0.00 C ATOM 539 CZ PHE A 93 4.012 -2.079 -0.345 1.00 0.00 C ATOM 0 H PHE A 93 5.846 -6.980 1.139 1.00 0.00 H new ATOM 0 HA PHE A 93 6.793 -4.731 2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.023 -5.934 2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.408 -4.689 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.922 -5.311 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.917 -2.517 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.543 -3.584 -1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.533 -0.789 1.290 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.842 -1.321 -1.095 1.00 0.00 H new ATOM 549 N GLU A 94 7.340 -7.372 3.782 1.00 0.00 N ATOM 550 CA GLU A 94 7.623 -8.333 4.842 1.00 0.00 C ATOM 551 C GLU A 94 8.332 -7.657 6.012 1.00 0.00 C ATOM 552 O GLU A 94 8.343 -8.175 7.129 1.00 0.00 O ATOM 553 CB GLU A 94 8.480 -9.481 4.306 1.00 0.00 C ATOM 554 CG GLU A 94 9.973 -9.204 4.362 1.00 0.00 C ATOM 555 CD GLU A 94 10.791 -10.276 3.668 1.00 0.00 C ATOM 556 OE1 GLU A 94 10.373 -10.733 2.584 1.00 0.00 O ATOM 557 OE2 GLU A 94 11.850 -10.656 4.209 1.00 0.00 O ATOM 0 H GLU A 94 7.992 -7.405 2.998 1.00 0.00 H new ATOM 0 HA GLU A 94 6.674 -8.734 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.265 -10.382 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.195 -9.684 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.177 -8.239 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.286 -9.130 5.403 1.00 0.00 H new ATOM 564 N LYS A 95 8.926 -6.498 5.748 1.00 0.00 N ATOM 565 CA LYS A 95 9.638 -5.750 6.777 1.00 0.00 C ATOM 566 C LYS A 95 8.661 -5.112 7.759 1.00 0.00 C ATOM 567 O LYS A 95 8.961 -4.973 8.946 1.00 0.00 O ATOM 568 CB LYS A 95 10.513 -4.670 6.137 1.00 0.00 C ATOM 569 CG LYS A 95 11.323 -3.870 7.142 1.00 0.00 C ATOM 570 CD LYS A 95 11.709 -2.508 6.590 1.00 0.00 C ATOM 571 CE LYS A 95 13.010 -2.573 5.805 1.00 0.00 C ATOM 572 NZ LYS A 95 12.851 -3.322 4.528 1.00 0.00 N ATOM 0 H LYS A 95 8.928 -6.056 4.829 1.00 0.00 H new ATOM 0 HA LYS A 95 10.273 -6.446 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.193 -5.139 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 95 9.879 -3.989 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.745 -3.742 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.223 -4.424 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.912 -2.136 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 95 11.813 -1.798 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.356 -1.562 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.778 -3.051 6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.515 -2.947 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 13.049 -4.330 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.877 -3.212 4.180 1.00 0.00 H new ATOM 586 N TYR A 96 7.493 -4.727 7.259 1.00 0.00 N ATOM 587 CA TYR A 96 6.472 -4.103 8.093 1.00 0.00 C ATOM 588 C TYR A 96 5.362 -5.094 8.429 1.00 0.00 C ATOM 589 O TYR A 96 4.207 -4.711 8.611 1.00 0.00 O ATOM 590 CB TYR A 96 5.884 -2.880 7.386 1.00 0.00 C ATOM 591 CG TYR A 96 6.864 -2.177 6.475 1.00 0.00 C ATOM 592 CD1 TYR A 96 7.790 -1.273 6.983 1.00 0.00 C ATOM 593 CD2 TYR A 96 6.866 -2.417 5.107 1.00 0.00 C ATOM 594 CE1 TYR A 96 8.687 -0.628 6.154 1.00 0.00 C ATOM 595 CE2 TYR A 96 7.761 -1.778 4.270 1.00 0.00 C ATOM 596 CZ TYR A 96 8.669 -0.884 4.799 1.00 0.00 C ATOM 597 OH TYR A 96 9.562 -0.244 3.970 1.00 0.00 O ATOM 0 H TYR A 96 7.229 -4.836 6.280 1.00 0.00 H new ATOM 0 HA TYR A 96 6.943 -3.785 9.023 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.017 -3.190 6.803 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.527 -2.174 8.136 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.808 -1.072 8.044 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.156 -3.115 4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.399 0.073 6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.750 -1.977 3.209 1.00 0.00 H new ATOM 0 HH TYR A 96 9.418 -0.536 3.046 1.00 0.00 H new ATOM 607 N GLY A 97 5.722 -6.371 8.509 1.00 0.00 N ATOM 608 CA GLY A 97 4.746 -7.398 8.823 1.00 0.00 C ATOM 609 C GLY A 97 3.828 -7.702 7.656 1.00 0.00 C ATOM 610 O GLY A 97 3.946 -7.099 6.589 1.00 0.00 O ATOM 0 H GLY A 97 6.672 -6.713 8.362 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.265 -8.309 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.149 -7.078 9.677 1.00 0.00 H new ATOM 614 N LYS A 98 2.909 -8.641 7.857 1.00 0.00 N ATOM 615 CA LYS A 98 1.966 -9.025 6.813 1.00 0.00 C ATOM 616 C LYS A 98 0.930 -7.929 6.586 1.00 0.00 C ATOM 617 O LYS A 98 0.401 -7.355 7.537 1.00 0.00 O ATOM 618 CB LYS A 98 1.266 -10.334 7.186 1.00 0.00 C ATOM 619 CG LYS A 98 0.208 -10.172 8.264 1.00 0.00 C ATOM 620 CD LYS A 98 -0.587 -11.452 8.461 1.00 0.00 C ATOM 621 CE LYS A 98 0.238 -12.517 9.167 1.00 0.00 C ATOM 622 NZ LYS A 98 -0.476 -13.822 9.227 1.00 0.00 N ATOM 0 H LYS A 98 2.797 -9.150 8.734 1.00 0.00 H new ATOM 0 HA LYS A 98 2.525 -9.169 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.802 -10.755 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.013 -11.051 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.684 -9.890 9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.468 -9.361 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.483 -11.239 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.918 -11.829 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.187 -12.646 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.472 -12.184 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.119 -14.521 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.370 -13.705 9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.677 -14.153 8.262 1.00 0.00 H new ATOM 636 N ALA A 99 0.644 -7.645 5.319 1.00 0.00 N ATOM 637 CA ALA A 99 -0.331 -6.620 4.968 1.00 0.00 C ATOM 638 C ALA A 99 -1.754 -7.112 5.209 1.00 0.00 C ATOM 639 O ALA A 99 -2.071 -8.274 4.960 1.00 0.00 O ATOM 640 CB ALA A 99 -0.154 -6.199 3.517 1.00 0.00 C ATOM 0 H ALA A 99 1.074 -8.110 4.519 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.160 -5.755 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.889 -5.433 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.850 -5.799 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.296 -7.063 2.868 1.00 0.00 H new ATOM 646 N GLY A 100 -2.610 -6.218 5.696 1.00 0.00 N ATOM 647 CA GLY A 100 -3.990 -6.580 5.963 1.00 0.00 C ATOM 648 C GLY A 100 -4.749 -6.941 4.701 1.00 0.00 C ATOM 649 O GLY A 100 -5.329 -8.022 4.607 1.00 0.00 O ATOM 0 H GLY A 100 -2.372 -5.250 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.014 -7.424 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.491 -5.749 6.459 1.00 0.00 H new ATOM 653 N GLU A 101 -4.747 -6.032 3.731 1.00 0.00 N ATOM 654 CA GLU A 101 -5.443 -6.261 2.470 1.00 0.00 C ATOM 655 C GLU A 101 -4.481 -6.156 1.290 1.00 0.00 C ATOM 656 O GLU A 101 -3.678 -5.226 1.210 1.00 0.00 O ATOM 657 CB GLU A 101 -6.584 -5.255 2.303 1.00 0.00 C ATOM 658 CG GLU A 101 -7.077 -5.126 0.872 1.00 0.00 C ATOM 659 CD GLU A 101 -6.256 -4.143 0.059 1.00 0.00 C ATOM 660 OE1 GLU A 101 -6.604 -2.944 0.048 1.00 0.00 O ATOM 661 OE2 GLU A 101 -5.265 -4.574 -0.567 1.00 0.00 O ATOM 0 H GLU A 101 -4.272 -5.132 3.794 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.856 -7.269 2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.417 -5.554 2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.250 -4.278 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.047 -6.104 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.119 -4.806 0.878 1.00 0.00 H new ATOM 668 N VAL A 102 -4.568 -7.117 0.376 1.00 0.00 N ATOM 669 CA VAL A 102 -3.707 -7.134 -0.800 1.00 0.00 C ATOM 670 C VAL A 102 -4.509 -7.420 -2.065 1.00 0.00 C ATOM 671 O VAL A 102 -5.178 -8.448 -2.169 1.00 0.00 O ATOM 672 CB VAL A 102 -2.591 -8.187 -0.664 1.00 0.00 C ATOM 673 CG1 VAL A 102 -1.853 -8.357 -1.982 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.629 -7.803 0.450 1.00 0.00 C ATOM 0 H VAL A 102 -5.226 -7.894 0.428 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.256 -6.145 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.047 -9.143 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.069 -9.105 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.553 -8.682 -2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.407 -7.406 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.847 -8.558 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.178 -6.837 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.172 -7.739 1.393 1.00 0.00 H new ATOM 684 N PHE A 103 -4.436 -6.503 -3.024 1.00 0.00 N ATOM 685 CA PHE A 103 -5.156 -6.656 -4.283 1.00 0.00 C ATOM 686 C PHE A 103 -4.302 -6.190 -5.458 1.00 0.00 C ATOM 687 O PHE A 103 -3.869 -5.039 -5.506 1.00 0.00 O ATOM 688 CB PHE A 103 -6.466 -5.866 -4.245 1.00 0.00 C ATOM 689 CG PHE A 103 -7.561 -6.556 -3.483 1.00 0.00 C ATOM 690 CD1 PHE A 103 -8.250 -7.620 -4.044 1.00 0.00 C ATOM 691 CD2 PHE A 103 -7.902 -6.141 -2.206 1.00 0.00 C ATOM 692 CE1 PHE A 103 -9.257 -8.257 -3.345 1.00 0.00 C ATOM 693 CE2 PHE A 103 -8.908 -6.775 -1.502 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.587 -7.834 -2.072 1.00 0.00 C ATOM 0 H PHE A 103 -3.886 -5.647 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.381 -7.714 -4.418 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.280 -4.891 -3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.802 -5.687 -5.266 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.997 -7.955 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.376 -5.313 -1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.786 -9.085 -3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.163 -6.443 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.374 -8.330 -1.524 1.00 0.00 H new ATOM 704 N ILE A 104 -4.063 -7.094 -6.403 1.00 0.00 N ATOM 705 CA ILE A 104 -3.261 -6.776 -7.578 1.00 0.00 C ATOM 706 C ILE A 104 -4.046 -7.023 -8.862 1.00 0.00 C ATOM 707 O ILE A 104 -4.428 -8.154 -9.161 1.00 0.00 O ATOM 708 CB ILE A 104 -1.964 -7.604 -7.615 1.00 0.00 C ATOM 709 CG1 ILE A 104 -1.129 -7.342 -6.360 1.00 0.00 C ATOM 710 CG2 ILE A 104 -1.163 -7.279 -8.867 1.00 0.00 C ATOM 711 CD1 ILE A 104 -0.096 -8.413 -6.087 1.00 0.00 C ATOM 0 H ILE A 104 -4.413 -8.052 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.005 -5.719 -7.509 1.00 0.00 H new ATOM 0 HB ILE A 104 -2.227 -8.661 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.626 -6.381 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.795 -7.263 -5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.249 -7.873 -8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.758 -7.512 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.908 -6.219 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.458 -8.162 -5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.594 -9.373 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.593 -8.477 -6.929 1.00 0.00 H new ATOM 723 N HIS A 105 -4.281 -5.956 -9.620 1.00 0.00 N ATOM 724 CA HIS A 105 -5.018 -6.057 -10.874 1.00 0.00 C ATOM 725 C HIS A 105 -4.087 -5.868 -12.068 1.00 0.00 C ATOM 726 O HIS A 105 -3.371 -4.871 -12.160 1.00 0.00 O ATOM 727 CB HIS A 105 -6.138 -5.017 -10.917 1.00 0.00 C ATOM 728 CG HIS A 105 -7.262 -5.384 -11.837 1.00 0.00 C ATOM 729 ND1 HIS A 105 -8.270 -4.509 -12.180 1.00 0.00 N ATOM 730 CD2 HIS A 105 -7.531 -6.540 -12.488 1.00 0.00 C ATOM 731 CE1 HIS A 105 -9.113 -5.111 -13.001 1.00 0.00 C ATOM 732 NE2 HIS A 105 -8.687 -6.344 -13.204 1.00 0.00 N ATOM 0 H HIS A 105 -3.972 -5.012 -9.387 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.455 -7.054 -10.930 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.533 -4.879 -9.911 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -5.722 -4.059 -11.230 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -6.946 -7.447 -12.451 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.999 -4.669 -13.432 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.142 -7.038 -13.796 1.00 0.00 H new ATOM 740 N LYS A 106 -4.101 -6.834 -12.981 1.00 0.00 N ATOM 741 CA LYS A 106 -3.259 -6.775 -14.170 1.00 0.00 C ATOM 742 C LYS A 106 -3.959 -6.020 -15.296 1.00 0.00 C ATOM 743 O LYS A 106 -3.311 -5.510 -16.211 1.00 0.00 O ATOM 744 CB LYS A 106 -2.900 -8.188 -14.636 1.00 0.00 C ATOM 745 CG LYS A 106 -4.109 -9.037 -14.991 1.00 0.00 C ATOM 746 CD LYS A 106 -3.701 -10.440 -15.409 1.00 0.00 C ATOM 747 CE LYS A 106 -3.240 -11.264 -14.217 1.00 0.00 C ATOM 748 NZ LYS A 106 -3.215 -12.721 -14.526 1.00 0.00 N ATOM 0 H LYS A 106 -4.686 -7.667 -12.920 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.345 -6.241 -13.911 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -2.247 -8.120 -15.506 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -2.334 -8.688 -13.850 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.780 -9.092 -14.134 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.664 -8.562 -15.800 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.543 -10.936 -15.892 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -2.899 -10.383 -16.145 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -2.244 -10.940 -13.915 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.904 -11.083 -13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.896 -13.248 -13.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.170 -13.036 -14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -2.562 -12.897 -15.316 1.00 0.00 H new ATOM 762 N ASP A 107 -5.283 -5.950 -15.221 1.00 0.00 N ATOM 763 CA ASP A 107 -6.070 -5.254 -16.233 1.00 0.00 C ATOM 764 C ASP A 107 -5.792 -3.755 -16.201 1.00 0.00 C ATOM 765 O ASP A 107 -5.574 -3.131 -17.240 1.00 0.00 O ATOM 766 CB ASP A 107 -7.562 -5.513 -16.016 1.00 0.00 C ATOM 767 CG ASP A 107 -8.410 -5.012 -17.168 1.00 0.00 C ATOM 768 OD1 ASP A 107 -8.501 -5.723 -18.191 1.00 0.00 O ATOM 769 OD2 ASP A 107 -8.982 -3.908 -17.048 1.00 0.00 O ATOM 0 H ASP A 107 -5.834 -6.366 -14.471 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.781 -5.638 -17.211 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.727 -6.583 -15.886 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.882 -5.026 -15.095 1.00 0.00 H new ATOM 774 N LYS A 108 -5.801 -3.181 -15.003 1.00 0.00 N ATOM 775 CA LYS A 108 -5.550 -1.755 -14.834 1.00 0.00 C ATOM 776 C LYS A 108 -4.072 -1.491 -14.564 1.00 0.00 C ATOM 777 O LYS A 108 -3.593 -0.369 -14.718 1.00 0.00 O ATOM 778 CB LYS A 108 -6.396 -1.199 -13.687 1.00 0.00 C ATOM 779 CG LYS A 108 -7.884 -1.162 -13.991 1.00 0.00 C ATOM 780 CD LYS A 108 -8.289 0.154 -14.634 1.00 0.00 C ATOM 781 CE LYS A 108 -8.190 1.309 -13.648 1.00 0.00 C ATOM 782 NZ LYS A 108 -8.814 2.550 -14.184 1.00 0.00 N ATOM 0 H LYS A 108 -5.980 -3.683 -14.133 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.828 -1.251 -15.759 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.231 -1.806 -12.797 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.056 -0.190 -13.452 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -8.141 -1.987 -14.655 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.448 -1.307 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.649 0.352 -15.494 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.310 0.079 -15.007 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.678 1.032 -12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.142 1.500 -13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.726 3.313 -13.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.332 2.829 -15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.820 2.375 -14.381 1.00 0.00 H new ATOM 796 N GLY A 109 -3.353 -2.535 -14.161 1.00 0.00 N ATOM 797 CA GLY A 109 -1.937 -2.395 -13.877 1.00 0.00 C ATOM 798 C GLY A 109 -1.675 -1.604 -12.611 1.00 0.00 C ATOM 799 O GLY A 109 -0.792 -0.747 -12.577 1.00 0.00 O ATOM 0 H GLY A 109 -3.726 -3.475 -14.026 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.489 -3.384 -13.783 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.448 -1.902 -14.717 1.00 0.00 H new ATOM 803 N PHE A 110 -2.445 -1.890 -11.566 1.00 0.00 N ATOM 804 CA PHE A 110 -2.294 -1.197 -10.292 1.00 0.00 C ATOM 805 C PHE A 110 -2.588 -2.134 -9.125 1.00 0.00 C ATOM 806 O PHE A 110 -3.341 -3.097 -9.262 1.00 0.00 O ATOM 807 CB PHE A 110 -3.224 0.017 -10.234 1.00 0.00 C ATOM 808 CG PHE A 110 -2.795 1.144 -11.128 1.00 0.00 C ATOM 809 CD1 PHE A 110 -1.798 2.021 -10.731 1.00 0.00 C ATOM 810 CD2 PHE A 110 -3.388 1.327 -12.367 1.00 0.00 C ATOM 811 CE1 PHE A 110 -1.403 3.060 -11.552 1.00 0.00 C ATOM 812 CE2 PHE A 110 -2.996 2.364 -13.193 1.00 0.00 C ATOM 813 CZ PHE A 110 -2.001 3.231 -12.785 1.00 0.00 C ATOM 0 H PHE A 110 -3.180 -2.597 -11.577 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.261 -0.858 -10.211 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.231 -0.293 -10.512 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.274 0.378 -9.207 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.324 1.891 -9.769 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.166 0.651 -12.691 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.627 3.738 -11.229 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.467 2.496 -14.156 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.691 4.041 -13.429 1.00 0.00 H new ATOM 823 N GLY A 111 -1.987 -1.844 -7.974 1.00 0.00 N ATOM 824 CA GLY A 111 -2.196 -2.670 -6.800 1.00 0.00 C ATOM 825 C GLY A 111 -2.495 -1.850 -5.560 1.00 0.00 C ATOM 826 O GLY A 111 -2.080 -0.696 -5.456 1.00 0.00 O ATOM 0 H GLY A 111 -1.360 -1.052 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.022 -3.357 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.308 -3.278 -6.625 1.00 0.00 H new ATOM 830 N PHE A 112 -3.219 -2.446 -4.619 1.00 0.00 N ATOM 831 CA PHE A 112 -3.576 -1.763 -3.381 1.00 0.00 C ATOM 832 C PHE A 112 -3.217 -2.614 -2.167 1.00 0.00 C ATOM 833 O PHE A 112 -3.535 -3.803 -2.113 1.00 0.00 O ATOM 834 CB PHE A 112 -5.071 -1.437 -3.367 1.00 0.00 C ATOM 835 CG PHE A 112 -5.444 -0.293 -4.266 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.759 -0.516 -5.597 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.479 1.004 -3.781 1.00 0.00 C ATOM 838 CE1 PHE A 112 -6.104 0.535 -6.427 1.00 0.00 C ATOM 839 CE2 PHE A 112 -5.823 2.058 -4.606 1.00 0.00 C ATOM 840 CZ PHE A 112 -6.134 1.823 -5.931 1.00 0.00 C ATOM 0 H PHE A 112 -3.570 -3.401 -4.690 1.00 0.00 H new ATOM 0 HA PHE A 112 -3.008 -0.834 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.631 -2.323 -3.668 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.374 -1.200 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.735 -1.522 -5.990 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.235 1.194 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.350 0.348 -7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -5.849 3.064 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.400 2.646 -6.578 1.00 0.00 H new ATOM 850 N ILE A 113 -2.554 -1.997 -1.194 1.00 0.00 N ATOM 851 CA ILE A 113 -2.153 -2.697 0.019 1.00 0.00 C ATOM 852 C ILE A 113 -2.571 -1.923 1.265 1.00 0.00 C ATOM 853 O ILE A 113 -2.466 -0.697 1.310 1.00 0.00 O ATOM 854 CB ILE A 113 -0.631 -2.927 0.059 1.00 0.00 C ATOM 855 CG1 ILE A 113 -0.264 -3.862 1.214 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.102 -1.601 0.192 1.00 0.00 C ATOM 857 CD1 ILE A 113 1.052 -4.581 1.015 1.00 0.00 C ATOM 0 H ILE A 113 -2.284 -1.014 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.659 -3.663 0.007 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.325 -3.397 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.217 -3.285 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.056 -4.600 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.177 -1.780 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.139 -0.965 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.206 -1.106 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.248 -5.226 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.003 -5.186 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.855 -3.850 0.920 1.00 0.00 H new ATOM 869 N ARG A 114 -3.045 -2.647 2.273 1.00 0.00 N ATOM 870 CA ARG A 114 -3.479 -2.028 3.520 1.00 0.00 C ATOM 871 C ARG A 114 -2.772 -2.660 4.716 1.00 0.00 C ATOM 872 O ARG A 114 -2.908 -3.857 4.970 1.00 0.00 O ATOM 873 CB ARG A 114 -4.994 -2.164 3.681 1.00 0.00 C ATOM 874 CG ARG A 114 -5.585 -1.213 4.709 1.00 0.00 C ATOM 875 CD ARG A 114 -6.880 -1.758 5.293 1.00 0.00 C ATOM 876 NE ARG A 114 -6.673 -3.019 6.000 1.00 0.00 N ATOM 877 CZ ARG A 114 -6.236 -3.096 7.252 1.00 0.00 C ATOM 878 NH1 ARG A 114 -5.960 -1.991 7.931 1.00 0.00 N ATOM 879 NH2 ARG A 114 -6.073 -4.281 7.827 1.00 0.00 N ATOM 0 H ARG A 114 -3.138 -3.662 2.251 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.217 -0.971 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.471 -1.986 2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.230 -3.189 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.864 -1.048 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.773 -0.245 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.306 -1.024 5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.605 -1.906 4.492 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.875 -3.888 5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.083 -1.079 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.625 -2.053 8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -6.283 -5.133 7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -5.737 -4.340 8.788 1.00 0.00 H new ATOM 893 N LEU A 115 -2.015 -1.847 5.445 1.00 0.00 N ATOM 894 CA LEU A 115 -1.285 -2.326 6.614 1.00 0.00 C ATOM 895 C LEU A 115 -2.149 -2.241 7.868 1.00 0.00 C ATOM 896 O LEU A 115 -3.322 -1.877 7.801 1.00 0.00 O ATOM 897 CB LEU A 115 -0.004 -1.513 6.808 1.00 0.00 C ATOM 898 CG LEU A 115 0.840 -1.280 5.554 1.00 0.00 C ATOM 899 CD1 LEU A 115 2.032 -0.391 5.870 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.301 -2.606 4.968 1.00 0.00 C ATOM 0 H LEU A 115 -1.891 -0.854 5.248 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.023 -3.371 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.273 -0.543 7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.615 -2.019 7.549 1.00 0.00 H new ATOM 0 HG LEU A 115 0.222 -0.773 4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.621 -0.237 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.680 0.571 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.651 -0.869 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.900 -2.421 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.901 -3.140 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.432 -3.208 4.703 1.00 0.00 H new ATOM 912 N GLU A 116 -1.559 -2.578 9.011 1.00 0.00 N ATOM 913 CA GLU A 116 -2.276 -2.538 10.280 1.00 0.00 C ATOM 914 C GLU A 116 -2.148 -1.166 10.935 1.00 0.00 C ATOM 915 O GLU A 116 -3.129 -0.434 11.069 1.00 0.00 O ATOM 916 CB GLU A 116 -1.745 -3.618 11.225 1.00 0.00 C ATOM 917 CG GLU A 116 -2.745 -4.045 12.286 1.00 0.00 C ATOM 918 CD GLU A 116 -3.914 -4.818 11.707 1.00 0.00 C ATOM 919 OE1 GLU A 116 -3.685 -5.665 10.818 1.00 0.00 O ATOM 920 OE2 GLU A 116 -5.059 -4.577 12.144 1.00 0.00 O ATOM 0 H GLU A 116 -0.588 -2.881 9.084 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.330 -2.728 10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -1.455 -4.490 10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.844 -3.249 11.715 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.239 -4.661 13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.119 -3.162 12.804 1.00 0.00 H new ATOM 927 N THR A 117 -0.930 -0.822 11.342 1.00 0.00 N ATOM 928 CA THR A 117 -0.672 0.460 11.984 1.00 0.00 C ATOM 929 C THR A 117 -0.373 1.542 10.952 1.00 0.00 C ATOM 930 O THR A 117 -0.137 1.246 9.780 1.00 0.00 O ATOM 931 CB THR A 117 0.508 0.368 12.970 1.00 0.00 C ATOM 932 OG1 THR A 117 1.720 0.091 12.259 1.00 0.00 O ATOM 933 CG2 THR A 117 0.263 -0.718 14.007 1.00 0.00 C ATOM 0 H THR A 117 -0.106 -1.415 11.238 1.00 0.00 H new ATOM 0 HA THR A 117 -1.575 0.725 12.533 1.00 0.00 H new ATOM 0 HB THR A 117 0.599 1.325 13.484 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.466 0.036 12.893 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.109 -0.764 14.692 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.644 -0.489 14.566 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.148 -1.680 13.507 1.00 0.00 H new ATOM 941 N ARG A 118 -0.383 2.795 11.394 1.00 0.00 N ATOM 942 CA ARG A 118 -0.114 3.920 10.508 1.00 0.00 C ATOM 943 C ARG A 118 1.388 4.146 10.357 1.00 0.00 C ATOM 944 O ARG A 118 1.902 4.254 9.243 1.00 0.00 O ATOM 945 CB ARG A 118 -0.780 5.189 11.043 1.00 0.00 C ATOM 946 CG ARG A 118 -0.270 5.614 12.411 1.00 0.00 C ATOM 947 CD ARG A 118 -1.142 6.702 13.017 1.00 0.00 C ATOM 948 NE ARG A 118 -0.727 8.036 12.593 1.00 0.00 N ATOM 949 CZ ARG A 118 0.441 8.580 12.915 1.00 0.00 C ATOM 950 NH1 ARG A 118 1.306 7.907 13.661 1.00 0.00 N ATOM 951 NH2 ARG A 118 0.746 9.800 12.490 1.00 0.00 N ATOM 0 H ARG A 118 -0.575 3.056 12.361 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.529 3.686 9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.616 6.001 10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.857 5.028 11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.248 4.751 13.077 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.755 5.975 12.323 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.180 6.537 12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.099 6.637 14.104 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.370 8.580 12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.075 6.969 13.989 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.202 8.327 13.907 1.00 0.00 H new ATOM 0 HH21 ARG A 118 0.083 10.321 11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 118 1.643 10.217 12.738 1.00 0.00 H new ATOM 965 N THR A 119 2.087 4.217 11.485 1.00 0.00 N ATOM 966 CA THR A 119 3.529 4.431 11.479 1.00 0.00 C ATOM 967 C THR A 119 4.205 3.589 10.403 1.00 0.00 C ATOM 968 O THR A 119 4.940 4.111 9.563 1.00 0.00 O ATOM 969 CB THR A 119 4.153 4.093 12.846 1.00 0.00 C ATOM 970 OG1 THR A 119 3.558 4.900 13.869 1.00 0.00 O ATOM 971 CG2 THR A 119 5.657 4.320 12.825 1.00 0.00 C ATOM 0 H THR A 119 1.678 4.129 12.415 1.00 0.00 H new ATOM 0 HA THR A 119 3.691 5.488 11.265 1.00 0.00 H new ATOM 0 HB THR A 119 3.963 3.041 13.057 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.959 4.678 14.735 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.076 4.075 13.801 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.110 3.683 12.065 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.864 5.365 12.594 1.00 0.00 H new ATOM 979 N LEU A 120 3.952 2.286 10.432 1.00 0.00 N ATOM 980 CA LEU A 120 4.536 1.371 9.457 1.00 0.00 C ATOM 981 C LEU A 120 4.225 1.822 8.033 1.00 0.00 C ATOM 982 O LEU A 120 5.055 1.687 7.134 1.00 0.00 O ATOM 983 CB LEU A 120 4.010 -0.048 9.681 1.00 0.00 C ATOM 984 CG LEU A 120 4.630 -0.817 10.848 1.00 0.00 C ATOM 985 CD1 LEU A 120 3.943 -2.162 11.027 1.00 0.00 C ATOM 986 CD2 LEU A 120 6.125 -1.004 10.630 1.00 0.00 C ATOM 0 H LEU A 120 3.346 1.839 11.120 1.00 0.00 H new ATOM 0 HA LEU A 120 5.618 1.377 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.933 0.006 9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.170 -0.622 8.768 1.00 0.00 H new ATOM 0 HG LEU A 120 4.486 -0.235 11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.398 -2.695 11.862 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.884 -2.005 11.230 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.054 -2.751 10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.549 -1.553 11.470 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.291 -1.564 9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.606 -0.029 10.554 1.00 0.00 H new ATOM 998 N ALA A 121 3.026 2.359 7.836 1.00 0.00 N ATOM 999 CA ALA A 121 2.607 2.833 6.523 1.00 0.00 C ATOM 1000 C ALA A 121 3.532 3.935 6.017 1.00 0.00 C ATOM 1001 O ALA A 121 4.007 3.886 4.883 1.00 0.00 O ATOM 1002 CB ALA A 121 1.170 3.330 6.575 1.00 0.00 C ATOM 0 H ALA A 121 2.327 2.477 8.570 1.00 0.00 H new ATOM 0 HA ALA A 121 2.665 1.997 5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.870 3.681 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.515 2.516 6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.094 4.149 7.290 1.00 0.00 H new ATOM 1008 N GLU A 122 3.782 4.927 6.866 1.00 0.00 N ATOM 1009 CA GLU A 122 4.650 6.042 6.502 1.00 0.00 C ATOM 1010 C GLU A 122 6.052 5.550 6.156 1.00 0.00 C ATOM 1011 O GLU A 122 6.527 5.737 5.035 1.00 0.00 O ATOM 1012 CB GLU A 122 4.721 7.055 7.647 1.00 0.00 C ATOM 1013 CG GLU A 122 3.639 8.120 7.585 1.00 0.00 C ATOM 1014 CD GLU A 122 4.062 9.337 6.786 1.00 0.00 C ATOM 1015 OE1 GLU A 122 4.205 9.215 5.551 1.00 0.00 O ATOM 1016 OE2 GLU A 122 4.251 10.411 7.394 1.00 0.00 O ATOM 0 H GLU A 122 3.397 4.982 7.809 1.00 0.00 H new ATOM 0 HA GLU A 122 4.227 6.527 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 122 4.643 6.524 8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.697 7.540 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.740 7.693 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 122 3.379 8.428 8.598 1.00 0.00 H new ATOM 1023 N ILE A 123 6.708 4.921 7.125 1.00 0.00 N ATOM 1024 CA ILE A 123 8.055 4.402 6.923 1.00 0.00 C ATOM 1025 C ILE A 123 8.139 3.574 5.644 1.00 0.00 C ATOM 1026 O ILE A 123 9.107 3.673 4.891 1.00 0.00 O ATOM 1027 CB ILE A 123 8.509 3.535 8.112 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.542 4.369 9.395 1.00 0.00 C ATOM 1029 CG2 ILE A 123 9.875 2.927 7.834 1.00 0.00 C ATOM 1030 CD1 ILE A 123 8.657 3.537 10.653 1.00 0.00 C ATOM 0 H ILE A 123 6.329 4.758 8.058 1.00 0.00 H new ATOM 0 HA ILE A 123 8.716 5.265 6.840 1.00 0.00 H new ATOM 0 HB ILE A 123 7.793 2.724 8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.383 5.060 9.348 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.636 4.973 9.450 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.182 2.317 8.684 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.821 2.304 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.603 3.723 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.675 4.193 11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.802 2.864 10.724 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.577 2.953 10.620 1.00 0.00 H new ATOM 1042 N ALA A 124 7.116 2.759 5.405 1.00 0.00 N ATOM 1043 CA ALA A 124 7.072 1.917 4.216 1.00 0.00 C ATOM 1044 C ALA A 124 6.733 2.737 2.976 1.00 0.00 C ATOM 1045 O ALA A 124 7.167 2.417 1.869 1.00 0.00 O ATOM 1046 CB ALA A 124 6.063 0.794 4.402 1.00 0.00 C ATOM 0 H ALA A 124 6.307 2.664 6.019 1.00 0.00 H new ATOM 0 HA ALA A 124 8.061 1.481 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.041 0.173 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.351 0.185 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.074 1.218 4.574 1.00 0.00 H new ATOM 1052 N LYS A 125 5.953 3.795 3.167 1.00 0.00 N ATOM 1053 CA LYS A 125 5.555 4.662 2.064 1.00 0.00 C ATOM 1054 C LYS A 125 6.766 5.365 1.460 1.00 0.00 C ATOM 1055 O LYS A 125 6.851 5.543 0.245 1.00 0.00 O ATOM 1056 CB LYS A 125 4.537 5.699 2.545 1.00 0.00 C ATOM 1057 CG LYS A 125 4.036 6.616 1.443 1.00 0.00 C ATOM 1058 CD LYS A 125 4.925 7.839 1.289 1.00 0.00 C ATOM 1059 CE LYS A 125 4.913 8.361 -0.140 1.00 0.00 C ATOM 1060 NZ LYS A 125 3.715 9.201 -0.413 1.00 0.00 N ATOM 0 H LYS A 125 5.583 4.073 4.076 1.00 0.00 H new ATOM 0 HA LYS A 125 5.096 4.041 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.687 5.182 2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.990 6.303 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.001 6.069 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 125 3.017 6.932 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.587 8.623 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.946 7.587 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.815 8.945 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.933 7.521 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.744 9.537 -1.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.854 8.636 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.709 10.017 0.232 1.00 0.00 H new ATOM 1074 N VAL A 126 7.702 5.762 2.316 1.00 0.00 N ATOM 1075 CA VAL A 126 8.910 6.444 1.866 1.00 0.00 C ATOM 1076 C VAL A 126 9.939 5.449 1.342 1.00 0.00 C ATOM 1077 O VAL A 126 10.428 5.581 0.220 1.00 0.00 O ATOM 1078 CB VAL A 126 9.543 7.270 3.001 1.00 0.00 C ATOM 1079 CG1 VAL A 126 10.911 7.789 2.585 1.00 0.00 C ATOM 1080 CG2 VAL A 126 8.628 8.418 3.399 1.00 0.00 C ATOM 0 H VAL A 126 7.647 5.623 3.325 1.00 0.00 H new ATOM 0 HA VAL A 126 8.614 7.115 1.060 1.00 0.00 H new ATOM 0 HB VAL A 126 9.674 6.622 3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.343 8.370 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.564 6.948 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.808 8.421 1.703 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.091 8.991 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 126 8.463 9.067 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.673 8.020 3.742 1.00 0.00 H new ATOM 1090 N GLU A 127 10.263 4.453 2.161 1.00 0.00 N ATOM 1091 CA GLU A 127 11.235 3.435 1.779 1.00 0.00 C ATOM 1092 C GLU A 127 10.896 2.845 0.413 1.00 0.00 C ATOM 1093 O GLU A 127 11.729 2.830 -0.494 1.00 0.00 O ATOM 1094 CB GLU A 127 11.283 2.324 2.829 1.00 0.00 C ATOM 1095 CG GLU A 127 11.912 2.756 4.144 1.00 0.00 C ATOM 1096 CD GLU A 127 13.426 2.690 4.115 1.00 0.00 C ATOM 1097 OE1 GLU A 127 14.048 3.591 3.514 1.00 0.00 O ATOM 1098 OE2 GLU A 127 13.990 1.738 4.694 1.00 0.00 O ATOM 0 H GLU A 127 9.867 4.329 3.093 1.00 0.00 H new ATOM 0 HA GLU A 127 12.215 3.909 1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.269 1.971 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.844 1.480 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.601 3.775 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.540 2.120 4.947 1.00 0.00 H new ATOM 1105 N LEU A 128 9.667 2.359 0.274 1.00 0.00 N ATOM 1106 CA LEU A 128 9.216 1.766 -0.980 1.00 0.00 C ATOM 1107 C LEU A 128 9.076 2.828 -2.065 1.00 0.00 C ATOM 1108 O LEU A 128 9.433 2.601 -3.221 1.00 0.00 O ATOM 1109 CB LEU A 128 7.881 1.049 -0.777 1.00 0.00 C ATOM 1110 CG LEU A 128 7.864 -0.051 0.285 1.00 0.00 C ATOM 1111 CD1 LEU A 128 6.439 -0.507 0.559 1.00 0.00 C ATOM 1112 CD2 LEU A 128 8.728 -1.226 -0.151 1.00 0.00 C ATOM 0 H LEU A 128 8.965 2.364 1.014 1.00 0.00 H new ATOM 0 HA LEU A 128 9.965 1.042 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.129 1.792 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.578 0.612 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 128 8.277 0.355 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.447 -1.290 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 128 5.849 0.337 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 128 5.998 -0.896 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.704 -2.000 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.345 -1.632 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.755 -0.889 -0.295 1.00 0.00 H new ATOM 1124 N ASP A 129 8.556 3.990 -1.685 1.00 0.00 N ATOM 1125 CA ASP A 129 8.372 5.090 -2.624 1.00 0.00 C ATOM 1126 C ASP A 129 9.598 5.253 -3.518 1.00 0.00 C ATOM 1127 O ASP A 129 10.711 5.446 -3.032 1.00 0.00 O ATOM 1128 CB ASP A 129 8.098 6.392 -1.871 1.00 0.00 C ATOM 1129 CG ASP A 129 8.605 7.611 -2.618 1.00 0.00 C ATOM 1130 OD1 ASP A 129 7.967 8.001 -3.618 1.00 0.00 O ATOM 1131 OD2 ASP A 129 9.639 8.174 -2.203 1.00 0.00 O ATOM 0 H ASP A 129 8.254 4.194 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 129 7.514 4.857 -3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.026 6.492 -1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.571 6.348 -0.890 1.00 0.00 H new ATOM 1136 N ASN A 130 9.384 5.171 -4.827 1.00 0.00 N ATOM 1137 CA ASN A 130 10.472 5.308 -5.789 1.00 0.00 C ATOM 1138 C ASN A 130 11.489 4.183 -5.623 1.00 0.00 C ATOM 1139 O ASN A 130 12.692 4.429 -5.530 1.00 0.00 O ATOM 1140 CB ASN A 130 11.162 6.663 -5.621 1.00 0.00 C ATOM 1141 CG ASN A 130 11.924 7.081 -6.864 1.00 0.00 C ATOM 1142 OD1 ASN A 130 11.386 7.762 -7.737 1.00 0.00 O ATOM 1143 ND2 ASN A 130 13.186 6.674 -6.948 1.00 0.00 N ATOM 0 H ASN A 130 8.468 5.010 -5.246 1.00 0.00 H new ATOM 0 HA ASN A 130 10.048 5.246 -6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.416 7.421 -5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.849 6.616 -4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 130 13.750 6.925 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 130 13.591 6.111 -6.200 1.00 0.00 H new ATOM 1150 N MET A 131 10.998 2.949 -5.586 1.00 0.00 N ATOM 1151 CA MET A 131 11.865 1.786 -5.433 1.00 0.00 C ATOM 1152 C MET A 131 11.937 0.987 -6.731 1.00 0.00 C ATOM 1153 O MET A 131 10.921 0.666 -7.348 1.00 0.00 O ATOM 1154 CB MET A 131 11.360 0.893 -4.298 1.00 0.00 C ATOM 1155 CG MET A 131 12.162 -0.387 -4.129 1.00 0.00 C ATOM 1156 SD MET A 131 11.475 -1.476 -2.867 1.00 0.00 S ATOM 1157 CE MET A 131 10.532 -2.614 -3.880 1.00 0.00 C ATOM 0 H MET A 131 10.005 2.728 -5.660 1.00 0.00 H new ATOM 0 HA MET A 131 12.867 2.140 -5.189 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.388 1.455 -3.365 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.317 0.637 -4.485 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.197 -0.917 -5.081 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.189 -0.135 -3.866 1.00 0.00 H new ATOM 0 HE1 MET A 131 9.467 -2.456 -3.709 1.00 0.00 H new ATOM 0 HE2 MET A 131 10.761 -2.440 -4.932 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.794 -3.639 -3.616 1.00 0.00 H new ATOM 1167 N PRO A 132 13.166 0.658 -7.156 1.00 0.00 N ATOM 1168 CA PRO A 132 13.399 -0.108 -8.384 1.00 0.00 C ATOM 1169 C PRO A 132 12.948 -1.559 -8.258 1.00 0.00 C ATOM 1170 O PRO A 132 13.366 -2.272 -7.345 1.00 0.00 O ATOM 1171 CB PRO A 132 14.917 -0.034 -8.565 1.00 0.00 C ATOM 1172 CG PRO A 132 15.452 0.183 -7.192 1.00 0.00 C ATOM 1173 CD PRO A 132 14.421 1.007 -6.471 1.00 0.00 C ATOM 0 HA PRO A 132 12.835 0.292 -9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.309 -0.953 -9.002 1.00 0.00 H new ATOM 0 HB3 PRO A 132 15.197 0.781 -9.232 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.618 -0.767 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.411 0.699 -7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.381 0.762 -5.410 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.636 2.073 -6.544 1.00 0.00 H new ATOM 1181 N LEU A 133 12.093 -1.990 -9.179 1.00 0.00 N ATOM 1182 CA LEU A 133 11.585 -3.357 -9.171 1.00 0.00 C ATOM 1183 C LEU A 133 11.592 -3.949 -10.576 1.00 0.00 C ATOM 1184 O LEU A 133 10.904 -3.457 -11.471 1.00 0.00 O ATOM 1185 CB LEU A 133 10.167 -3.392 -8.597 1.00 0.00 C ATOM 1186 CG LEU A 133 9.421 -4.720 -8.732 1.00 0.00 C ATOM 1187 CD1 LEU A 133 9.910 -5.716 -7.691 1.00 0.00 C ATOM 1188 CD2 LEU A 133 7.920 -4.504 -8.602 1.00 0.00 C ATOM 0 H LEU A 133 11.737 -1.412 -9.941 1.00 0.00 H new ATOM 0 HA LEU A 133 12.240 -3.958 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.218 -3.133 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 133 9.579 -2.616 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 133 9.625 -5.130 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.368 -6.655 -7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.976 -5.894 -7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 133 9.737 -5.314 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.405 -5.460 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.698 -4.071 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.581 -3.826 -9.386 1.00 0.00 H new ATOM 1200 N ARG A 134 12.371 -5.009 -10.763 1.00 0.00 N ATOM 1201 CA ARG A 134 12.466 -5.669 -12.059 1.00 0.00 C ATOM 1202 C ARG A 134 12.644 -4.647 -13.178 1.00 0.00 C ATOM 1203 O ARG A 134 12.041 -4.766 -14.244 1.00 0.00 O ATOM 1204 CB ARG A 134 11.216 -6.513 -12.319 1.00 0.00 C ATOM 1205 CG ARG A 134 11.248 -7.872 -11.640 1.00 0.00 C ATOM 1206 CD ARG A 134 12.043 -8.882 -12.453 1.00 0.00 C ATOM 1207 NE ARG A 134 11.321 -9.316 -13.645 1.00 0.00 N ATOM 1208 CZ ARG A 134 11.738 -10.295 -14.441 1.00 0.00 C ATOM 1209 NH1 ARG A 134 12.865 -10.938 -14.172 1.00 0.00 N ATOM 1210 NH2 ARG A 134 11.025 -10.632 -15.508 1.00 0.00 N ATOM 0 H ARG A 134 12.946 -5.429 -10.033 1.00 0.00 H new ATOM 0 HA ARG A 134 13.339 -6.321 -12.043 1.00 0.00 H new ATOM 0 HB2 ARG A 134 10.339 -5.965 -11.975 1.00 0.00 H new ATOM 0 HB3 ARG A 134 11.101 -6.656 -13.394 1.00 0.00 H new ATOM 0 HG2 ARG A 134 11.689 -7.774 -10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 134 10.230 -8.235 -11.502 1.00 0.00 H new ATOM 0 HD2 ARG A 134 12.996 -8.441 -12.747 1.00 0.00 H new ATOM 0 HD3 ARG A 134 12.271 -9.748 -11.832 1.00 0.00 H new ATOM 0 HE ARG A 134 10.449 -8.842 -13.880 1.00 0.00 H new ATOM 0 HH11 ARG A 134 13.415 -10.682 -13.352 1.00 0.00 H new ATOM 0 HH12 ARG A 134 13.182 -11.689 -14.785 1.00 0.00 H new ATOM 0 HH21 ARG A 134 10.157 -10.140 -15.717 1.00 0.00 H new ATOM 0 HH22 ARG A 134 11.345 -11.383 -16.119 1.00 0.00 H new ATOM 1224 N GLY A 135 13.476 -3.641 -12.927 1.00 0.00 N ATOM 1225 CA GLY A 135 13.718 -2.612 -13.921 1.00 0.00 C ATOM 1226 C GLY A 135 12.531 -1.685 -14.097 1.00 0.00 C ATOM 1227 O GLY A 135 12.314 -1.140 -15.180 1.00 0.00 O ATOM 0 H GLY A 135 13.987 -3.520 -12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 135 14.591 -2.028 -13.630 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.953 -3.082 -14.876 1.00 0.00 H new ATOM 1231 N LYS A 136 11.758 -1.507 -13.031 1.00 0.00 N ATOM 1232 CA LYS A 136 10.586 -0.641 -13.072 1.00 0.00 C ATOM 1233 C LYS A 136 10.583 0.326 -11.892 1.00 0.00 C ATOM 1234 O LYS A 136 11.215 0.070 -10.867 1.00 0.00 O ATOM 1235 CB LYS A 136 9.306 -1.480 -13.061 1.00 0.00 C ATOM 1236 CG LYS A 136 9.234 -2.494 -14.189 1.00 0.00 C ATOM 1237 CD LYS A 136 8.596 -1.899 -15.434 1.00 0.00 C ATOM 1238 CE LYS A 136 8.122 -2.983 -16.390 1.00 0.00 C ATOM 1239 NZ LYS A 136 7.611 -2.411 -17.666 1.00 0.00 N ATOM 0 H LYS A 136 11.922 -1.951 -12.128 1.00 0.00 H new ATOM 0 HA LYS A 136 10.625 -0.061 -13.994 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.233 -2.004 -12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.445 -0.815 -13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.237 -2.847 -14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.660 -3.361 -13.864 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.752 -1.271 -15.147 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.315 -1.255 -15.940 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.945 -3.666 -16.602 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.336 -3.569 -15.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 7.298 -3.181 -18.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.810 -1.779 -17.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.368 -1.873 -18.133 1.00 0.00 H new ATOM 1253 N GLN A 137 9.867 1.435 -12.043 1.00 0.00 N ATOM 1254 CA GLN A 137 9.781 2.438 -10.989 1.00 0.00 C ATOM 1255 C GLN A 137 8.450 2.342 -10.252 1.00 0.00 C ATOM 1256 O GLN A 137 7.396 2.651 -10.809 1.00 0.00 O ATOM 1257 CB GLN A 137 9.953 3.841 -11.576 1.00 0.00 C ATOM 1258 CG GLN A 137 9.154 4.908 -10.845 1.00 0.00 C ATOM 1259 CD GLN A 137 9.667 6.308 -11.115 1.00 0.00 C ATOM 1260 OE1 GLN A 137 10.874 6.549 -11.120 1.00 0.00 O ATOM 1261 NE2 GLN A 137 8.750 7.242 -11.342 1.00 0.00 N ATOM 0 H GLN A 137 9.338 1.662 -12.885 1.00 0.00 H new ATOM 0 HA GLN A 137 10.584 2.249 -10.276 1.00 0.00 H new ATOM 0 HB2 GLN A 137 11.009 4.109 -11.552 1.00 0.00 H new ATOM 0 HB3 GLN A 137 9.652 3.827 -12.623 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.108 4.844 -11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.189 4.713 -9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 137 7.760 6.998 -11.328 1.00 0.00 H new ATOM 0 HE22 GLN A 137 9.036 8.203 -11.530 1.00 0.00 H new ATOM 1270 N LEU A 138 8.504 1.912 -8.996 1.00 0.00 N ATOM 1271 CA LEU A 138 7.301 1.774 -8.182 1.00 0.00 C ATOM 1272 C LEU A 138 6.885 3.119 -7.595 1.00 0.00 C ATOM 1273 O LEU A 138 7.668 3.780 -6.913 1.00 0.00 O ATOM 1274 CB LEU A 138 7.536 0.765 -7.057 1.00 0.00 C ATOM 1275 CG LEU A 138 7.720 -0.691 -7.489 1.00 0.00 C ATOM 1276 CD1 LEU A 138 8.117 -1.554 -6.301 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.447 -1.220 -8.133 1.00 0.00 C ATOM 0 H LEU A 138 9.368 1.653 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 138 6.497 1.413 -8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.421 1.072 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.692 0.815 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 138 8.522 -0.733 -8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.243 -2.586 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.055 -1.188 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 138 7.338 -1.507 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.595 -2.257 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.627 -1.164 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.206 -0.619 -9.009 1.00 0.00 H new ATOM 1289 N ARG A 139 5.645 3.517 -7.863 1.00 0.00 N ATOM 1290 CA ARG A 139 5.124 4.782 -7.360 1.00 0.00 C ATOM 1291 C ARG A 139 4.171 4.552 -6.190 1.00 0.00 C ATOM 1292 O ARG A 139 3.065 4.043 -6.368 1.00 0.00 O ATOM 1293 CB ARG A 139 4.403 5.541 -8.476 1.00 0.00 C ATOM 1294 CG ARG A 139 4.483 7.052 -8.336 1.00 0.00 C ATOM 1295 CD ARG A 139 3.336 7.594 -7.498 1.00 0.00 C ATOM 1296 NE ARG A 139 3.388 9.049 -7.374 1.00 0.00 N ATOM 1297 CZ ARG A 139 4.195 9.686 -6.534 1.00 0.00 C ATOM 1298 NH1 ARG A 139 5.013 9.001 -5.747 1.00 0.00 N ATOM 1299 NH2 ARG A 139 4.185 11.012 -6.479 1.00 0.00 N ATOM 0 H ARG A 139 4.983 2.982 -8.425 1.00 0.00 H new ATOM 0 HA ARG A 139 5.966 5.378 -7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 139 4.830 5.251 -9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 139 3.355 5.241 -8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 139 5.432 7.326 -7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 139 4.463 7.512 -9.324 1.00 0.00 H new ATOM 0 HD2 ARG A 139 2.388 7.302 -7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 139 3.368 7.144 -6.506 1.00 0.00 H new ATOM 0 HE ARG A 139 2.771 9.606 -7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 139 5.023 7.982 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 139 5.632 9.493 -5.103 1.00 0.00 H new ATOM 0 HH21 ARG A 139 3.557 11.543 -7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 139 4.805 11.500 -5.833 1.00 0.00 H new ATOM 1313 N VAL A 140 4.610 4.929 -4.994 1.00 0.00 N ATOM 1314 CA VAL A 140 3.797 4.764 -3.795 1.00 0.00 C ATOM 1315 C VAL A 140 3.131 6.077 -3.397 1.00 0.00 C ATOM 1316 O VAL A 140 3.788 7.113 -3.297 1.00 0.00 O ATOM 1317 CB VAL A 140 4.639 4.250 -2.612 1.00 0.00 C ATOM 1318 CG1 VAL A 140 3.763 4.030 -1.388 1.00 0.00 C ATOM 1319 CG2 VAL A 140 5.367 2.971 -2.994 1.00 0.00 C ATOM 0 H VAL A 140 5.524 5.351 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 140 3.029 4.028 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 140 5.385 5.005 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.376 3.667 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.292 4.971 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 140 2.993 3.294 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.957 2.621 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.640 2.207 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.026 3.166 -3.840 1.00 0.00 H new ATOM 1329 N ARG A 141 1.822 6.026 -3.173 1.00 0.00 N ATOM 1330 CA ARG A 141 1.066 7.211 -2.787 1.00 0.00 C ATOM 1331 C ARG A 141 0.043 6.876 -1.705 1.00 0.00 C ATOM 1332 O ARG A 141 -0.316 5.713 -1.515 1.00 0.00 O ATOM 1333 CB ARG A 141 0.359 7.810 -4.004 1.00 0.00 C ATOM 1334 CG ARG A 141 1.312 8.302 -5.081 1.00 0.00 C ATOM 1335 CD ARG A 141 0.684 9.405 -5.919 1.00 0.00 C ATOM 1336 NE ARG A 141 0.672 10.686 -5.217 1.00 0.00 N ATOM 1337 CZ ARG A 141 -0.088 11.714 -5.577 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -0.894 11.612 -6.624 1.00 0.00 N ATOM 1339 NH2 ARG A 141 -0.043 12.847 -4.888 1.00 0.00 N ATOM 0 H ARG A 141 1.263 5.176 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 141 1.767 7.943 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.305 7.060 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.267 8.641 -3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 141 2.227 8.672 -4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.595 7.470 -5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.235 9.509 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.337 9.125 -6.180 1.00 0.00 H new ATOM 0 HE ARG A 141 1.281 10.797 -4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.932 10.742 -7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -1.477 12.403 -6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.576 12.929 -4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.627 13.636 -5.165 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.421 7.901 -0.999 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.401 7.715 0.065 1.00 0.00 C ATOM 1355 C PHE A 142 -2.822 7.838 -0.478 1.00 0.00 C ATOM 1356 O PHE A 142 -3.364 8.937 -0.585 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.178 8.741 1.178 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.066 8.372 2.118 1.00 0.00 C ATOM 1359 CD1 PHE A 142 -0.143 7.222 2.886 1.00 0.00 C ATOM 1360 CD2 PHE A 142 1.057 9.176 2.233 1.00 0.00 C ATOM 1361 CE1 PHE A 142 0.879 6.881 3.752 1.00 0.00 C ATOM 1362 CE2 PHE A 142 2.082 8.840 3.097 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.993 7.691 3.857 1.00 0.00 C ATOM 0 H PHE A 142 -0.134 8.869 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.272 6.713 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.958 9.710 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.101 8.855 1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.011 6.585 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.132 10.076 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.807 5.982 4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.952 9.476 3.177 1.00 0.00 H new ATOM 0 HZ PHE A 142 2.793 7.426 4.532 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.419 6.701 -0.819 1.00 0.00 N ATOM 1374 CA ALA A 143 -4.777 6.680 -1.348 1.00 0.00 C ATOM 1375 C ALA A 143 -5.784 7.129 -0.295 1.00 0.00 C ATOM 1376 O ALA A 143 -5.784 6.630 0.831 1.00 0.00 O ATOM 1377 CB ALA A 143 -5.125 5.287 -1.853 1.00 0.00 C ATOM 0 H ALA A 143 -2.983 5.782 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.826 7.380 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.142 5.286 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.431 5.003 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -5.052 4.574 -1.032 1.00 0.00 H new