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 Set 1.1: A 130 ASN : amide:sc= -1.78 K(o=-3.5,f=1.9) USER MOD Set 1.2: A 137 GLN : amide:sc= -1.74 K(o=-3.5,f=1.9) USER MOD Single : A 73 SER OG : rot 27:sc= 0.278 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot -82:sc= 0.377 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0748) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -5.61! C(o=-5.6!,f=-4.7!) 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= -0.87 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0404) USER MOD Single : A 131 MET CE :methyl 159:sc= -0.0566 (180deg=-0.359) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.747 3.264 6.660 1.00 0.00 N ATOM 200 CA SER A 73 -3.417 2.954 6.151 1.00 0.00 C ATOM 201 C SER A 73 -3.503 2.260 4.794 1.00 0.00 C ATOM 202 O SER A 73 -3.265 1.057 4.684 1.00 0.00 O ATOM 203 CB SER A 73 -2.661 2.067 7.142 1.00 0.00 C ATOM 204 OG SER A 73 -2.802 2.550 8.467 1.00 0.00 O ATOM 0 HA SER A 73 -2.875 3.892 6.028 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.037 1.046 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.605 2.034 6.874 1.00 0.00 H new ATOM 0 HG SER A 73 -3.647 3.040 8.549 1.00 0.00 H new ATOM 210 N ARG A 74 -3.845 3.028 3.765 1.00 0.00 N ATOM 211 CA ARG A 74 -3.964 2.489 2.416 1.00 0.00 C ATOM 212 C ARG A 74 -2.887 3.067 1.502 1.00 0.00 C ATOM 213 O ARG A 74 -2.880 4.265 1.215 1.00 0.00 O ATOM 214 CB ARG A 74 -5.350 2.790 1.843 1.00 0.00 C ATOM 215 CG ARG A 74 -5.748 1.874 0.698 1.00 0.00 C ATOM 216 CD ARG A 74 -7.241 1.951 0.417 1.00 0.00 C ATOM 217 NE ARG A 74 -7.564 3.002 -0.545 1.00 0.00 N ATOM 218 CZ ARG A 74 -8.768 3.550 -0.657 1.00 0.00 C ATOM 219 NH1 ARG A 74 -9.758 3.150 0.128 1.00 0.00 N ATOM 220 NH2 ARG A 74 -8.984 4.502 -1.556 1.00 0.00 N ATOM 0 H ARG A 74 -4.045 4.025 3.840 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.828 1.409 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.089 2.704 2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.374 3.823 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.193 2.149 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.475 0.847 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.588 0.991 0.035 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.776 2.135 1.349 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.824 3.333 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.596 2.419 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.682 3.573 0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.225 4.813 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.909 4.922 -1.641 1.00 0.00 H new ATOM 234 N LEU A 75 -1.980 2.209 1.049 1.00 0.00 N ATOM 235 CA LEU A 75 -0.898 2.635 0.168 1.00 0.00 C ATOM 236 C LEU A 75 -1.206 2.281 -1.284 1.00 0.00 C ATOM 237 O LEU A 75 -1.444 1.119 -1.613 1.00 0.00 O ATOM 238 CB LEU A 75 0.419 1.984 0.594 1.00 0.00 C ATOM 239 CG LEU A 75 1.128 2.623 1.788 1.00 0.00 C ATOM 240 CD1 LEU A 75 2.251 1.726 2.286 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.666 3.998 1.417 1.00 0.00 C ATOM 0 H LEU A 75 -1.972 1.215 1.277 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.804 3.718 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.224 0.938 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.100 1.998 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 75 0.403 2.744 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.744 2.198 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.840 0.764 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.975 1.572 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.167 4.437 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.375 3.902 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.841 4.641 1.111 1.00 0.00 H new ATOM 253 N PHE A 76 -1.199 3.291 -2.148 1.00 0.00 N ATOM 254 CA PHE A 76 -1.477 3.087 -3.565 1.00 0.00 C ATOM 255 C PHE A 76 -0.189 2.829 -4.340 1.00 0.00 C ATOM 256 O PHE A 76 0.655 3.715 -4.477 1.00 0.00 O ATOM 257 CB PHE A 76 -2.200 4.304 -4.145 1.00 0.00 C ATOM 258 CG PHE A 76 -2.391 4.235 -5.633 1.00 0.00 C ATOM 259 CD1 PHE A 76 -2.973 3.123 -6.219 1.00 0.00 C ATOM 260 CD2 PHE A 76 -1.988 5.282 -6.446 1.00 0.00 C ATOM 261 CE1 PHE A 76 -3.151 3.056 -7.588 1.00 0.00 C ATOM 262 CE2 PHE A 76 -2.163 5.221 -7.816 1.00 0.00 C ATOM 263 CZ PHE A 76 -2.745 4.106 -8.387 1.00 0.00 C ATOM 0 H PHE A 76 -1.004 4.259 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.119 2.212 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.174 4.400 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.634 5.203 -3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.292 2.298 -5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.532 6.156 -6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.607 2.183 -8.032 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.845 6.044 -8.439 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.882 4.056 -9.457 1.00 0.00 H new ATOM 273 N VAL A 77 -0.044 1.608 -4.845 1.00 0.00 N ATOM 274 CA VAL A 77 1.141 1.232 -5.607 1.00 0.00 C ATOM 275 C VAL A 77 0.826 1.125 -7.095 1.00 0.00 C ATOM 276 O VAL A 77 0.119 0.216 -7.527 1.00 0.00 O ATOM 277 CB VAL A 77 1.720 -0.109 -5.119 1.00 0.00 C ATOM 278 CG1 VAL A 77 3.009 -0.435 -5.858 1.00 0.00 C ATOM 279 CG2 VAL A 77 1.952 -0.073 -3.616 1.00 0.00 C ATOM 0 H VAL A 77 -0.732 0.863 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 77 1.881 2.017 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 77 0.998 -0.896 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.403 -1.386 -5.500 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.808 -0.505 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.741 0.352 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.361 -1.029 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.655 0.725 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.006 0.111 -3.106 1.00 0.00 H new ATOM 289 N GLY A 78 1.357 2.062 -7.875 1.00 0.00 N ATOM 290 CA GLY A 78 1.122 2.055 -9.307 1.00 0.00 C ATOM 291 C GLY A 78 2.346 1.630 -10.094 1.00 0.00 C ATOM 292 O GLY A 78 3.415 1.416 -9.524 1.00 0.00 O ATOM 0 H GLY A 78 1.945 2.825 -7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.296 1.380 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.816 3.051 -9.627 1.00 0.00 H new ATOM 296 N ASN A 79 2.190 1.506 -11.408 1.00 0.00 N ATOM 297 CA ASN A 79 3.291 1.102 -12.274 1.00 0.00 C ATOM 298 C ASN A 79 3.863 -0.243 -11.835 1.00 0.00 C ATOM 299 O ASN A 79 5.080 -0.423 -11.778 1.00 0.00 O ATOM 300 CB ASN A 79 4.392 2.165 -12.265 1.00 0.00 C ATOM 301 CG ASN A 79 4.162 3.244 -13.305 1.00 0.00 C ATOM 302 OD1 ASN A 79 3.260 4.070 -13.170 1.00 0.00 O ATOM 303 ND2 ASN A 79 4.981 3.241 -14.351 1.00 0.00 N ATOM 0 H ASN A 79 1.311 1.680 -11.896 1.00 0.00 H new ATOM 0 HA ASN A 79 2.904 0.999 -13.288 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.444 2.622 -11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.355 1.688 -12.447 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.875 3.943 -15.083 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.715 2.537 -14.422 1.00 0.00 H new ATOM 310 N LEU A 80 2.978 -1.183 -11.526 1.00 0.00 N ATOM 311 CA LEU A 80 3.394 -2.513 -11.092 1.00 0.00 C ATOM 312 C LEU A 80 3.810 -3.369 -12.284 1.00 0.00 C ATOM 313 O LEU A 80 3.199 -3.328 -13.352 1.00 0.00 O ATOM 314 CB LEU A 80 2.260 -3.199 -10.328 1.00 0.00 C ATOM 315 CG LEU A 80 2.091 -2.785 -8.865 1.00 0.00 C ATOM 316 CD1 LEU A 80 1.000 -3.610 -8.200 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.406 -2.930 -8.114 1.00 0.00 C ATOM 0 H LEU A 80 1.968 -1.050 -11.568 1.00 0.00 H new ATOM 0 HA LEU A 80 4.254 -2.401 -10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.324 -3.001 -10.851 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.424 -4.276 -10.364 1.00 0.00 H new ATOM 0 HG LEU A 80 1.794 -1.737 -8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.894 -3.302 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.056 -3.454 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.267 -4.666 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.267 -2.631 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.734 -3.969 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.161 -2.294 -8.576 1.00 0.00 H new ATOM 329 N PRO A 81 4.873 -4.165 -12.098 1.00 0.00 N ATOM 330 CA PRO A 81 5.392 -5.049 -13.146 1.00 0.00 C ATOM 331 C PRO A 81 4.451 -6.211 -13.444 1.00 0.00 C ATOM 332 O PRO A 81 3.629 -6.604 -12.616 1.00 0.00 O ATOM 333 CB PRO A 81 6.707 -5.564 -12.556 1.00 0.00 C ATOM 334 CG PRO A 81 6.524 -5.466 -11.081 1.00 0.00 C ATOM 335 CD PRO A 81 5.649 -4.265 -10.851 1.00 0.00 C ATOM 0 HA PRO A 81 5.510 -4.528 -14.096 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.903 -6.591 -12.863 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.553 -4.964 -12.891 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.059 -6.369 -10.685 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.483 -5.353 -10.575 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.002 -4.399 -9.984 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.239 -3.366 -10.672 1.00 0.00 H new ATOM 343 N PRO A 82 4.571 -6.775 -14.655 1.00 0.00 N ATOM 344 CA PRO A 82 3.739 -7.901 -15.090 1.00 0.00 C ATOM 345 C PRO A 82 4.074 -9.190 -14.347 1.00 0.00 C ATOM 346 O PRO A 82 3.341 -10.176 -14.432 1.00 0.00 O ATOM 347 CB PRO A 82 4.076 -8.038 -16.577 1.00 0.00 C ATOM 348 CG PRO A 82 5.444 -7.463 -16.710 1.00 0.00 C ATOM 349 CD PRO A 82 5.529 -6.358 -15.693 1.00 0.00 C ATOM 0 HA PRO A 82 2.681 -7.726 -14.893 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.052 -9.081 -16.894 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.359 -7.500 -17.197 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.206 -8.221 -16.527 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.610 -7.080 -17.717 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.538 -6.258 -15.292 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.260 -5.394 -16.124 1.00 0.00 H new ATOM 357 N ASP A 83 5.186 -9.177 -13.620 1.00 0.00 N ATOM 358 CA ASP A 83 5.617 -10.345 -12.861 1.00 0.00 C ATOM 359 C ASP A 83 5.392 -10.135 -11.366 1.00 0.00 C ATOM 360 O ASP A 83 6.211 -10.542 -10.542 1.00 0.00 O ATOM 361 CB ASP A 83 7.094 -10.638 -13.130 1.00 0.00 C ATOM 362 CG ASP A 83 7.424 -12.112 -13.003 1.00 0.00 C ATOM 363 OD1 ASP A 83 6.711 -12.935 -13.615 1.00 0.00 O ATOM 364 OD2 ASP A 83 8.396 -12.442 -12.292 1.00 0.00 O ATOM 0 H ASP A 83 5.805 -8.370 -13.540 1.00 0.00 H new ATOM 0 HA ASP A 83 5.020 -11.198 -13.184 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.353 -10.296 -14.132 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.707 -10.070 -12.431 1.00 0.00 H new ATOM 369 N ILE A 84 4.278 -9.497 -11.025 1.00 0.00 N ATOM 370 CA ILE A 84 3.946 -9.234 -9.630 1.00 0.00 C ATOM 371 C ILE A 84 2.733 -10.047 -9.191 1.00 0.00 C ATOM 372 O ILE A 84 1.732 -10.127 -9.905 1.00 0.00 O ATOM 373 CB ILE A 84 3.660 -7.739 -9.392 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.388 -7.479 -7.909 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.482 -7.283 -10.240 1.00 0.00 C ATOM 376 CD1 ILE A 84 4.644 -7.261 -7.094 1.00 0.00 C ATOM 0 H ILE A 84 3.590 -9.153 -11.695 1.00 0.00 H new ATOM 0 HA ILE A 84 4.812 -9.529 -9.038 1.00 0.00 H new ATOM 0 HB ILE A 84 4.538 -7.165 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.746 -6.603 -7.814 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.838 -8.324 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.293 -6.225 -10.061 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.712 -7.437 -11.294 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.597 -7.860 -9.973 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.376 -7.083 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.278 -8.145 -7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.185 -6.398 -7.482 1.00 0.00 H new ATOM 388 N THR A 85 2.828 -10.650 -8.010 1.00 0.00 N ATOM 389 CA THR A 85 1.739 -11.457 -7.474 1.00 0.00 C ATOM 390 C THR A 85 1.508 -11.158 -5.997 1.00 0.00 C ATOM 391 O THR A 85 2.321 -10.494 -5.355 1.00 0.00 O ATOM 392 CB THR A 85 2.020 -12.963 -7.643 1.00 0.00 C ATOM 393 OG1 THR A 85 3.206 -13.323 -6.924 1.00 0.00 O ATOM 394 CG2 THR A 85 2.183 -13.321 -9.112 1.00 0.00 C ATOM 0 H THR A 85 3.648 -10.595 -7.406 1.00 0.00 H new ATOM 0 HA THR A 85 0.844 -11.196 -8.039 1.00 0.00 H new ATOM 0 HB THR A 85 1.171 -13.517 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.994 -13.112 -7.467 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.381 -14.389 -9.207 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.269 -13.072 -9.651 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.017 -12.759 -9.533 1.00 0.00 H new ATOM 402 N GLU A 86 0.394 -11.651 -5.466 1.00 0.00 N ATOM 403 CA GLU A 86 0.057 -11.435 -4.063 1.00 0.00 C ATOM 404 C GLU A 86 1.224 -11.818 -3.158 1.00 0.00 C ATOM 405 O GLU A 86 1.514 -11.132 -2.179 1.00 0.00 O ATOM 406 CB GLU A 86 -1.185 -12.244 -3.684 1.00 0.00 C ATOM 407 CG GLU A 86 -1.697 -11.953 -2.283 1.00 0.00 C ATOM 408 CD GLU A 86 -2.861 -12.842 -1.891 1.00 0.00 C ATOM 409 OE1 GLU A 86 -3.788 -13.001 -2.713 1.00 0.00 O ATOM 410 OE2 GLU A 86 -2.847 -13.377 -0.763 1.00 0.00 O ATOM 0 H GLU A 86 -0.290 -12.202 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.153 -10.374 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.978 -12.035 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.955 -13.306 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.885 -12.088 -1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.005 -10.909 -2.222 1.00 0.00 H new ATOM 417 N GLU A 87 1.888 -12.920 -3.493 1.00 0.00 N ATOM 418 CA GLU A 87 3.022 -13.395 -2.709 1.00 0.00 C ATOM 419 C GLU A 87 4.134 -12.351 -2.672 1.00 0.00 C ATOM 420 O GLU A 87 4.625 -11.991 -1.602 1.00 0.00 O ATOM 421 CB GLU A 87 3.558 -14.706 -3.289 1.00 0.00 C ATOM 422 CG GLU A 87 2.895 -15.944 -2.710 1.00 0.00 C ATOM 423 CD GLU A 87 3.810 -17.154 -2.719 1.00 0.00 C ATOM 424 OE1 GLU A 87 4.674 -17.249 -1.822 1.00 0.00 O ATOM 425 OE2 GLU A 87 3.662 -18.004 -3.621 1.00 0.00 O ATOM 0 H GLU A 87 1.661 -13.500 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 87 2.678 -13.570 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.416 -14.700 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.632 -14.761 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.581 -15.738 -1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.994 -16.170 -3.281 1.00 0.00 H new ATOM 432 N GLU A 88 4.525 -11.869 -3.847 1.00 0.00 N ATOM 433 CA GLU A 88 5.579 -10.867 -3.949 1.00 0.00 C ATOM 434 C GLU A 88 5.260 -9.651 -3.083 1.00 0.00 C ATOM 435 O GLU A 88 5.992 -9.333 -2.147 1.00 0.00 O ATOM 436 CB GLU A 88 5.765 -10.435 -5.405 1.00 0.00 C ATOM 437 CG GLU A 88 6.682 -11.350 -6.199 1.00 0.00 C ATOM 438 CD GLU A 88 6.343 -12.817 -6.016 1.00 0.00 C ATOM 439 OE1 GLU A 88 6.445 -13.310 -4.873 1.00 0.00 O ATOM 440 OE2 GLU A 88 5.978 -13.471 -7.014 1.00 0.00 O ATOM 0 H GLU A 88 4.128 -12.156 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 88 6.506 -11.315 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.790 -10.400 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.169 -9.423 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.617 -11.095 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.714 -11.178 -5.893 1.00 0.00 H new ATOM 447 N MET A 89 4.161 -8.975 -3.405 1.00 0.00 N ATOM 448 CA MET A 89 3.744 -7.795 -2.656 1.00 0.00 C ATOM 449 C MET A 89 3.922 -8.011 -1.157 1.00 0.00 C ATOM 450 O MET A 89 4.487 -7.167 -0.462 1.00 0.00 O ATOM 451 CB MET A 89 2.284 -7.459 -2.966 1.00 0.00 C ATOM 452 CG MET A 89 1.779 -6.222 -2.240 1.00 0.00 C ATOM 453 SD MET A 89 0.374 -5.455 -3.071 1.00 0.00 S ATOM 454 CE MET A 89 1.100 -3.906 -3.603 1.00 0.00 C ATOM 0 H MET A 89 3.544 -9.224 -4.178 1.00 0.00 H new ATOM 0 HA MET A 89 4.374 -6.960 -2.961 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.174 -7.310 -4.040 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.658 -8.310 -2.696 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.492 -6.493 -1.224 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.589 -5.497 -2.159 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.352 -3.317 -4.134 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.449 -3.350 -2.733 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.942 -4.107 -4.266 1.00 0.00 H new ATOM 464 N ARG A 90 3.435 -9.146 -0.665 1.00 0.00 N ATOM 465 CA ARG A 90 3.538 -9.471 0.752 1.00 0.00 C ATOM 466 C ARG A 90 4.981 -9.347 1.234 1.00 0.00 C ATOM 467 O ARG A 90 5.298 -8.498 2.067 1.00 0.00 O ATOM 468 CB ARG A 90 3.023 -10.888 1.011 1.00 0.00 C ATOM 469 CG ARG A 90 2.431 -11.077 2.398 1.00 0.00 C ATOM 470 CD ARG A 90 1.770 -12.439 2.541 1.00 0.00 C ATOM 471 NE ARG A 90 0.499 -12.508 1.825 1.00 0.00 N ATOM 472 CZ ARG A 90 -0.471 -13.362 2.131 1.00 0.00 C ATOM 473 NH1 ARG A 90 -0.317 -14.214 3.135 1.00 0.00 N ATOM 474 NH2 ARG A 90 -1.600 -13.365 1.433 1.00 0.00 N ATOM 0 H ARG A 90 2.965 -9.856 -1.227 1.00 0.00 H new ATOM 0 HA ARG A 90 2.925 -8.762 1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.266 -11.132 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.843 -11.594 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.216 -10.972 3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.698 -10.294 2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.442 -13.210 2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.603 -12.652 3.597 1.00 0.00 H new ATOM 0 HE ARG A 90 0.348 -11.865 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.548 -14.215 3.675 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.064 -14.869 3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.724 -12.711 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.344 -14.022 1.669 1.00 0.00 H new ATOM 488 N LYS A 91 5.851 -10.201 0.705 1.00 0.00 N ATOM 489 CA LYS A 91 7.260 -10.188 1.079 1.00 0.00 C ATOM 490 C LYS A 91 7.817 -8.768 1.053 1.00 0.00 C ATOM 491 O LYS A 91 8.594 -8.378 1.927 1.00 0.00 O ATOM 492 CB LYS A 91 8.068 -11.081 0.136 1.00 0.00 C ATOM 493 CG LYS A 91 9.319 -11.664 0.771 1.00 0.00 C ATOM 494 CD LYS A 91 10.481 -10.687 0.714 1.00 0.00 C ATOM 495 CE LYS A 91 11.193 -10.746 -0.628 1.00 0.00 C ATOM 496 NZ LYS A 91 12.177 -11.863 -0.685 1.00 0.00 N ATOM 0 H LYS A 91 5.605 -10.911 0.016 1.00 0.00 H new ATOM 0 HA LYS A 91 7.343 -10.574 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.433 -11.896 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.353 -10.503 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.113 -11.926 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.592 -12.586 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.116 -9.675 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.188 -10.914 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.458 -10.868 -1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.705 -9.801 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.641 -11.869 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.893 -11.733 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.685 -12.767 -0.537 1.00 0.00 H new ATOM 510 N LEU A 92 7.415 -7.998 0.048 1.00 0.00 N ATOM 511 CA LEU A 92 7.872 -6.620 -0.090 1.00 0.00 C ATOM 512 C LEU A 92 7.451 -5.782 1.113 1.00 0.00 C ATOM 513 O LEU A 92 8.163 -4.866 1.525 1.00 0.00 O ATOM 514 CB LEU A 92 7.316 -6.003 -1.375 1.00 0.00 C ATOM 515 CG LEU A 92 8.024 -6.399 -2.671 1.00 0.00 C ATOM 516 CD1 LEU A 92 7.287 -5.836 -3.876 1.00 0.00 C ATOM 517 CD2 LEU A 92 9.469 -5.920 -2.656 1.00 0.00 C ATOM 0 H LEU A 92 6.773 -8.305 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 92 8.961 -6.629 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.265 -6.277 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.356 -4.918 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 92 8.022 -7.486 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.806 -6.128 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.270 -6.227 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.256 -4.749 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.958 -6.210 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.492 -4.835 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.993 -6.372 -1.814 1.00 0.00 H new ATOM 529 N PHE A 93 6.290 -6.104 1.674 1.00 0.00 N ATOM 530 CA PHE A 93 5.774 -5.383 2.832 1.00 0.00 C ATOM 531 C PHE A 93 5.677 -6.301 4.046 1.00 0.00 C ATOM 532 O PHE A 93 4.773 -6.164 4.870 1.00 0.00 O ATOM 533 CB PHE A 93 4.401 -4.787 2.517 1.00 0.00 C ATOM 534 CG PHE A 93 4.442 -3.696 1.485 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.906 -3.953 0.205 1.00 0.00 C ATOM 536 CD2 PHE A 93 4.018 -2.415 1.795 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.946 -2.951 -0.746 1.00 0.00 C ATOM 538 CE2 PHE A 93 4.055 -1.408 0.848 1.00 0.00 C ATOM 539 CZ PHE A 93 4.519 -1.678 -0.424 1.00 0.00 C ATOM 0 H PHE A 93 5.689 -6.860 1.345 1.00 0.00 H new ATOM 0 HA PHE A 93 6.468 -4.576 3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.741 -5.581 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.967 -4.391 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.240 -4.947 -0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.654 -2.200 2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.311 -3.163 -1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.722 -0.413 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.548 -0.894 -1.166 1.00 0.00 H new ATOM 549 N GLU A 94 6.614 -7.238 4.149 1.00 0.00 N ATOM 550 CA GLU A 94 6.633 -8.180 5.262 1.00 0.00 C ATOM 551 C GLU A 94 7.383 -7.597 6.456 1.00 0.00 C ATOM 552 O GLU A 94 6.871 -7.576 7.576 1.00 0.00 O ATOM 553 CB GLU A 94 7.282 -9.498 4.833 1.00 0.00 C ATOM 554 CG GLU A 94 6.289 -10.524 4.311 1.00 0.00 C ATOM 555 CD GLU A 94 6.923 -11.880 4.070 1.00 0.00 C ATOM 556 OE1 GLU A 94 8.158 -11.933 3.890 1.00 0.00 O ATOM 557 OE2 GLU A 94 6.186 -12.887 4.062 1.00 0.00 O ATOM 0 H GLU A 94 7.370 -7.365 3.476 1.00 0.00 H new ATOM 0 HA GLU A 94 5.602 -8.371 5.560 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.022 -9.294 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.818 -9.923 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.473 -10.631 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.852 -10.161 3.381 1.00 0.00 H new ATOM 564 N LYS A 95 8.600 -7.125 6.210 1.00 0.00 N ATOM 565 CA LYS A 95 9.422 -6.540 7.262 1.00 0.00 C ATOM 566 C LYS A 95 8.590 -5.633 8.162 1.00 0.00 C ATOM 567 O LYS A 95 8.921 -5.427 9.330 1.00 0.00 O ATOM 568 CB LYS A 95 10.581 -5.748 6.652 1.00 0.00 C ATOM 569 CG LYS A 95 11.571 -5.229 7.681 1.00 0.00 C ATOM 570 CD LYS A 95 12.630 -4.348 7.040 1.00 0.00 C ATOM 571 CE LYS A 95 13.609 -3.813 8.073 1.00 0.00 C ATOM 572 NZ LYS A 95 14.446 -4.897 8.658 1.00 0.00 N ATOM 0 H LYS A 95 9.039 -7.136 5.290 1.00 0.00 H new ATOM 0 HA LYS A 95 9.825 -7.352 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.109 -6.383 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.178 -4.905 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.039 -4.663 8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.050 -6.070 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.171 -4.918 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.150 -3.515 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.254 -3.066 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.059 -3.310 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.199 -4.478 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 13.853 -5.513 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.872 -5.458 7.893 1.00 0.00 H new ATOM 586 N TYR A 96 7.507 -5.094 7.612 1.00 0.00 N ATOM 587 CA TYR A 96 6.628 -4.208 8.365 1.00 0.00 C ATOM 588 C TYR A 96 5.346 -4.928 8.771 1.00 0.00 C ATOM 589 O TYR A 96 4.273 -4.329 8.825 1.00 0.00 O ATOM 590 CB TYR A 96 6.288 -2.967 7.537 1.00 0.00 C ATOM 591 CG TYR A 96 7.403 -2.532 6.613 1.00 0.00 C ATOM 592 CD1 TYR A 96 8.446 -1.739 7.075 1.00 0.00 C ATOM 593 CD2 TYR A 96 7.414 -2.915 5.277 1.00 0.00 C ATOM 594 CE1 TYR A 96 9.466 -1.339 6.235 1.00 0.00 C ATOM 595 CE2 TYR A 96 8.431 -2.521 4.429 1.00 0.00 C ATOM 596 CZ TYR A 96 9.455 -1.732 4.913 1.00 0.00 C ATOM 597 OH TYR A 96 10.470 -1.337 4.072 1.00 0.00 O ATOM 0 H TYR A 96 7.217 -5.255 6.647 1.00 0.00 H new ATOM 0 HA TYR A 96 7.153 -3.901 9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.395 -3.169 6.945 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.045 -2.146 8.211 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.459 -1.430 8.110 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.614 -3.531 4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.268 -0.722 6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.425 -2.828 3.394 1.00 0.00 H new ATOM 0 HH TYR A 96 10.312 -1.700 3.176 1.00 0.00 H new ATOM 607 N GLY A 97 5.467 -6.221 9.057 1.00 0.00 N ATOM 608 CA GLY A 97 4.312 -7.004 9.456 1.00 0.00 C ATOM 609 C GLY A 97 3.674 -7.731 8.289 1.00 0.00 C ATOM 610 O GLY A 97 4.277 -7.862 7.224 1.00 0.00 O ATOM 0 H GLY A 97 6.344 -6.740 9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.612 -7.730 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.574 -6.348 9.919 1.00 0.00 H new ATOM 614 N LYS A 98 2.450 -8.208 8.489 1.00 0.00 N ATOM 615 CA LYS A 98 1.728 -8.927 7.445 1.00 0.00 C ATOM 616 C LYS A 98 0.731 -8.011 6.743 1.00 0.00 C ATOM 617 O LYS A 98 -0.122 -7.399 7.386 1.00 0.00 O ATOM 618 CB LYS A 98 0.998 -10.133 8.040 1.00 0.00 C ATOM 619 CG LYS A 98 0.164 -9.797 9.264 1.00 0.00 C ATOM 620 CD LYS A 98 0.971 -9.936 10.544 1.00 0.00 C ATOM 621 CE LYS A 98 0.484 -8.974 11.617 1.00 0.00 C ATOM 622 NZ LYS A 98 -0.710 -9.501 12.334 1.00 0.00 N ATOM 0 H LYS A 98 1.937 -8.110 9.365 1.00 0.00 H new ATOM 0 HA LYS A 98 2.454 -9.275 6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.351 -10.567 7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.731 -10.894 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.213 -8.778 9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.703 -10.456 9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.899 -10.960 10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.024 -9.746 10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.286 -8.792 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.240 -8.015 11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.011 -8.817 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.484 -9.651 11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.470 -10.404 12.791 1.00 0.00 H new ATOM 636 N ALA A 99 0.844 -7.922 5.422 1.00 0.00 N ATOM 637 CA ALA A 99 -0.050 -7.084 4.634 1.00 0.00 C ATOM 638 C ALA A 99 -1.508 -7.471 4.860 1.00 0.00 C ATOM 639 O ALA A 99 -1.906 -8.607 4.601 1.00 0.00 O ATOM 640 CB ALA A 99 0.301 -7.181 3.156 1.00 0.00 C ATOM 0 H ALA A 99 1.546 -8.420 4.875 1.00 0.00 H new ATOM 0 HA ALA A 99 0.079 -6.052 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.375 -6.550 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.328 -6.848 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.202 -8.215 2.826 1.00 0.00 H new ATOM 646 N GLY A 100 -2.300 -6.520 5.345 1.00 0.00 N ATOM 647 CA GLY A 100 -3.705 -6.782 5.598 1.00 0.00 C ATOM 648 C GLY A 100 -4.474 -7.095 4.330 1.00 0.00 C ATOM 649 O GLY A 100 -4.999 -8.196 4.171 1.00 0.00 O ATOM 0 H GLY A 100 -1.994 -5.573 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.796 -7.619 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.151 -5.915 6.085 1.00 0.00 H new ATOM 653 N GLU A 101 -4.543 -6.123 3.426 1.00 0.00 N ATOM 654 CA GLU A 101 -5.257 -6.300 2.167 1.00 0.00 C ATOM 655 C GLU A 101 -4.304 -6.183 0.980 1.00 0.00 C ATOM 656 O GLU A 101 -3.448 -5.299 0.942 1.00 0.00 O ATOM 657 CB GLU A 101 -6.376 -5.265 2.040 1.00 0.00 C ATOM 658 CG GLU A 101 -7.425 -5.628 1.002 1.00 0.00 C ATOM 659 CD GLU A 101 -8.564 -6.443 1.583 1.00 0.00 C ATOM 660 OE1 GLU A 101 -8.285 -7.460 2.252 1.00 0.00 O ATOM 661 OE2 GLU A 101 -9.734 -6.063 1.369 1.00 0.00 O ATOM 0 H GLU A 101 -4.113 -5.205 3.542 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.694 -7.299 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -6.861 -5.146 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -5.940 -4.300 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.825 -4.715 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.954 -6.192 0.197 1.00 0.00 H new ATOM 668 N VAL A 102 -4.459 -7.082 0.014 1.00 0.00 N ATOM 669 CA VAL A 102 -3.614 -7.081 -1.174 1.00 0.00 C ATOM 670 C VAL A 102 -4.437 -7.326 -2.434 1.00 0.00 C ATOM 671 O VAL A 102 -4.917 -8.435 -2.669 1.00 0.00 O ATOM 672 CB VAL A 102 -2.510 -8.150 -1.079 1.00 0.00 C ATOM 673 CG1 VAL A 102 -1.753 -8.255 -2.394 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.561 -7.836 0.068 1.00 0.00 C ATOM 0 H VAL A 102 -5.162 -7.821 0.031 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.151 -6.096 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.979 -9.114 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.977 -9.015 -2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.444 -8.531 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.295 -7.294 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.787 -8.602 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.098 -6.863 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.117 -7.817 1.005 1.00 0.00 H new ATOM 684 N PHE A 103 -4.595 -6.283 -3.243 1.00 0.00 N ATOM 685 CA PHE A 103 -5.361 -6.385 -4.480 1.00 0.00 C ATOM 686 C PHE A 103 -4.529 -5.926 -5.674 1.00 0.00 C ATOM 687 O PHE A 103 -4.264 -4.735 -5.839 1.00 0.00 O ATOM 688 CB PHE A 103 -6.639 -5.549 -4.384 1.00 0.00 C ATOM 689 CG PHE A 103 -7.743 -6.227 -3.625 1.00 0.00 C ATOM 690 CD1 PHE A 103 -7.583 -6.556 -2.288 1.00 0.00 C ATOM 691 CD2 PHE A 103 -8.942 -6.535 -4.247 1.00 0.00 C ATOM 692 CE1 PHE A 103 -8.597 -7.181 -1.588 1.00 0.00 C ATOM 693 CE2 PHE A 103 -9.960 -7.160 -3.552 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.788 -7.482 -2.220 1.00 0.00 C ATOM 0 H PHE A 103 -4.203 -5.358 -3.064 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.629 -7.431 -4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.407 -4.599 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.989 -5.318 -5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.655 -6.321 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -9.083 -6.284 -5.288 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.459 -7.434 -0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.889 -7.396 -4.050 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.583 -7.968 -1.674 1.00 0.00 H new ATOM 704 N ILE A 104 -4.118 -6.880 -6.503 1.00 0.00 N ATOM 705 CA ILE A 104 -3.317 -6.575 -7.681 1.00 0.00 C ATOM 706 C ILE A 104 -4.002 -7.061 -8.953 1.00 0.00 C ATOM 707 O ILE A 104 -4.041 -8.260 -9.231 1.00 0.00 O ATOM 708 CB ILE A 104 -1.917 -7.212 -7.590 1.00 0.00 C ATOM 709 CG1 ILE A 104 -1.207 -6.755 -6.314 1.00 0.00 C ATOM 710 CG2 ILE A 104 -1.092 -6.855 -8.818 1.00 0.00 C ATOM 711 CD1 ILE A 104 -0.031 -7.626 -5.932 1.00 0.00 C ATOM 0 H ILE A 104 -4.327 -7.871 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.213 -5.491 -7.719 1.00 0.00 H new ATOM 0 HB ILE A 104 -2.029 -8.296 -7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.861 -5.730 -6.447 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.924 -6.745 -5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.106 -7.312 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.593 -7.225 -9.713 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.986 -5.772 -8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.424 -7.243 -5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.373 -8.647 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.705 -7.616 -6.736 1.00 0.00 H new ATOM 723 N HIS A 105 -4.541 -6.122 -9.725 1.00 0.00 N ATOM 724 CA HIS A 105 -5.224 -6.454 -10.970 1.00 0.00 C ATOM 725 C HIS A 105 -4.477 -5.879 -12.169 1.00 0.00 C ATOM 726 O HIS A 105 -4.389 -4.662 -12.334 1.00 0.00 O ATOM 727 CB HIS A 105 -6.658 -5.926 -10.947 1.00 0.00 C ATOM 728 CG HIS A 105 -6.757 -4.451 -11.187 1.00 0.00 C ATOM 729 ND1 HIS A 105 -7.747 -3.879 -11.957 1.00 0.00 N ATOM 730 CD2 HIS A 105 -5.984 -3.429 -10.751 1.00 0.00 C ATOM 731 CE1 HIS A 105 -7.577 -2.569 -11.987 1.00 0.00 C ATOM 732 NE2 HIS A 105 -6.514 -2.270 -11.262 1.00 0.00 N ATOM 0 H HIS A 105 -4.518 -5.125 -9.510 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.247 -7.540 -11.064 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -7.241 -6.449 -11.705 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.107 -6.160 -9.982 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -5.112 -3.510 -10.119 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -8.201 -1.863 -12.515 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.147 -1.331 -11.107 1.00 0.00 H new ATOM 740 N LYS A 106 -3.938 -6.761 -13.004 1.00 0.00 N ATOM 741 CA LYS A 106 -3.199 -6.342 -14.189 1.00 0.00 C ATOM 742 C LYS A 106 -4.106 -5.596 -15.161 1.00 0.00 C ATOM 743 O LYS A 106 -3.634 -4.834 -16.005 1.00 0.00 O ATOM 744 CB LYS A 106 -2.578 -7.556 -14.884 1.00 0.00 C ATOM 745 CG LYS A 106 -1.937 -7.230 -16.221 1.00 0.00 C ATOM 746 CD LYS A 106 -1.569 -8.490 -16.986 1.00 0.00 C ATOM 747 CE LYS A 106 -0.916 -8.163 -18.320 1.00 0.00 C ATOM 748 NZ LYS A 106 -0.671 -9.386 -19.132 1.00 0.00 N ATOM 0 H LYS A 106 -3.999 -7.772 -12.882 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.404 -5.667 -13.871 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -1.826 -7.995 -14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.349 -8.311 -15.035 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.623 -6.629 -16.817 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.043 -6.627 -16.060 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.890 -9.095 -16.386 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -2.464 -9.088 -17.155 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.554 -7.478 -18.878 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.029 -7.648 -18.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.225 -9.121 -20.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.042 -10.029 -18.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.575 -9.864 -19.321 1.00 0.00 H new ATOM 762 N ASP A 107 -5.410 -5.818 -15.035 1.00 0.00 N ATOM 763 CA ASP A 107 -6.384 -5.164 -15.901 1.00 0.00 C ATOM 764 C ASP A 107 -5.959 -3.732 -16.213 1.00 0.00 C ATOM 765 O ASP A 107 -5.985 -3.303 -17.367 1.00 0.00 O ATOM 766 CB ASP A 107 -7.765 -5.167 -15.245 1.00 0.00 C ATOM 767 CG ASP A 107 -8.357 -6.559 -15.147 1.00 0.00 C ATOM 768 OD1 ASP A 107 -7.626 -7.487 -14.741 1.00 0.00 O ATOM 769 OD2 ASP A 107 -9.550 -6.722 -15.478 1.00 0.00 O ATOM 0 H ASP A 107 -5.817 -6.446 -14.342 1.00 0.00 H new ATOM 0 HA ASP A 107 -6.433 -5.722 -16.836 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.691 -4.736 -14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.438 -4.529 -15.818 1.00 0.00 H new ATOM 774 N LYS A 108 -5.568 -2.997 -15.178 1.00 0.00 N ATOM 775 CA LYS A 108 -5.137 -1.614 -15.340 1.00 0.00 C ATOM 776 C LYS A 108 -3.649 -1.469 -15.036 1.00 0.00 C ATOM 777 O LYS A 108 -2.995 -0.546 -15.520 1.00 0.00 O ATOM 778 CB LYS A 108 -5.948 -0.695 -14.423 1.00 0.00 C ATOM 779 CG LYS A 108 -7.220 -0.166 -15.063 1.00 0.00 C ATOM 780 CD LYS A 108 -8.199 -1.288 -15.366 1.00 0.00 C ATOM 781 CE LYS A 108 -9.071 -0.957 -16.567 1.00 0.00 C ATOM 782 NZ LYS A 108 -10.167 -1.949 -16.748 1.00 0.00 N ATOM 0 H LYS A 108 -5.541 -3.337 -14.217 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.308 -1.325 -16.377 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.207 -1.239 -13.515 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.325 0.147 -14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.690 0.558 -14.397 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.973 0.361 -15.984 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.650 -2.210 -15.557 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.830 -1.467 -14.495 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.499 0.038 -16.442 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.455 -0.928 -17.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.738 -1.688 -17.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.759 -2.895 -16.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.770 -1.958 -15.901 1.00 0.00 H new ATOM 796 N GLY A 109 -3.121 -2.387 -14.233 1.00 0.00 N ATOM 797 CA GLY A 109 -1.714 -2.344 -13.881 1.00 0.00 C ATOM 798 C GLY A 109 -1.459 -1.561 -12.608 1.00 0.00 C ATOM 799 O GLY A 109 -0.672 -0.615 -12.599 1.00 0.00 O ATOM 0 H GLY A 109 -3.643 -3.160 -13.820 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.342 -3.361 -13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.151 -1.895 -14.699 1.00 0.00 H new ATOM 803 N PHE A 110 -2.128 -1.955 -11.529 1.00 0.00 N ATOM 804 CA PHE A 110 -1.972 -1.282 -10.245 1.00 0.00 C ATOM 805 C PHE A 110 -2.286 -2.231 -9.092 1.00 0.00 C ATOM 806 O PHE A 110 -2.885 -3.287 -9.288 1.00 0.00 O ATOM 807 CB PHE A 110 -2.884 -0.055 -10.174 1.00 0.00 C ATOM 808 CG PHE A 110 -2.445 1.071 -11.065 1.00 0.00 C ATOM 809 CD1 PHE A 110 -2.726 1.048 -12.422 1.00 0.00 C ATOM 810 CD2 PHE A 110 -1.751 2.152 -10.547 1.00 0.00 C ATOM 811 CE1 PHE A 110 -2.323 2.083 -13.245 1.00 0.00 C ATOM 812 CE2 PHE A 110 -1.346 3.190 -11.365 1.00 0.00 C ATOM 813 CZ PHE A 110 -1.631 3.155 -12.716 1.00 0.00 C ATOM 0 H PHE A 110 -2.783 -2.737 -11.519 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.934 -0.960 -10.155 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -3.897 -0.349 -10.447 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.922 0.301 -9.144 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.266 0.212 -12.841 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.524 2.184 -9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -2.549 2.053 -14.301 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.807 4.028 -10.948 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.314 3.964 -13.357 1.00 0.00 H new ATOM 823 N GLY A 111 -1.877 -1.844 -7.887 1.00 0.00 N ATOM 824 CA GLY A 111 -2.123 -2.671 -6.720 1.00 0.00 C ATOM 825 C GLY A 111 -2.233 -1.858 -5.446 1.00 0.00 C ATOM 826 O GLY A 111 -1.449 -0.936 -5.219 1.00 0.00 O ATOM 0 H GLY A 111 -1.380 -0.973 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.043 -3.237 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.316 -3.396 -6.616 1.00 0.00 H new ATOM 830 N PHE A 112 -3.210 -2.197 -4.611 1.00 0.00 N ATOM 831 CA PHE A 112 -3.422 -1.490 -3.354 1.00 0.00 C ATOM 832 C PHE A 112 -3.134 -2.399 -2.163 1.00 0.00 C ATOM 833 O PHE A 112 -3.636 -3.521 -2.089 1.00 0.00 O ATOM 834 CB PHE A 112 -4.858 -0.967 -3.275 1.00 0.00 C ATOM 835 CG PHE A 112 -5.199 0.016 -4.359 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.436 -0.416 -5.654 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.281 1.371 -4.083 1.00 0.00 C ATOM 838 CE1 PHE A 112 -5.750 0.486 -6.653 1.00 0.00 C ATOM 839 CE2 PHE A 112 -5.595 2.277 -5.078 1.00 0.00 C ATOM 840 CZ PHE A 112 -5.828 1.834 -6.365 1.00 0.00 C ATOM 0 H PHE A 112 -3.868 -2.958 -4.783 1.00 0.00 H new ATOM 0 HA PHE A 112 -2.732 -0.647 -3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.547 -1.810 -3.330 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.011 -0.494 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.375 -1.469 -5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.097 1.723 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.934 0.137 -7.658 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -5.658 3.331 -4.849 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.071 2.541 -7.145 1.00 0.00 H new ATOM 850 N ILE A 113 -2.322 -1.907 -1.234 1.00 0.00 N ATOM 851 CA ILE A 113 -1.966 -2.673 -0.046 1.00 0.00 C ATOM 852 C ILE A 113 -2.409 -1.956 1.224 1.00 0.00 C ATOM 853 O ILE A 113 -2.334 -0.730 1.315 1.00 0.00 O ATOM 854 CB ILE A 113 -0.450 -2.931 0.025 1.00 0.00 C ATOM 855 CG1 ILE A 113 -0.132 -3.935 1.135 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.299 -1.627 0.253 1.00 0.00 C ATOM 857 CD1 ILE A 113 1.312 -4.385 1.148 1.00 0.00 C ATOM 0 H ILE A 113 -1.898 -0.981 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.485 -3.629 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.124 -3.354 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.373 -3.487 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.775 -4.808 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.370 -1.826 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.094 -0.941 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.029 -1.178 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.464 -5.095 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.553 -4.863 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.961 -3.522 1.295 1.00 0.00 H new ATOM 869 N ARG A 114 -2.868 -2.727 2.204 1.00 0.00 N ATOM 870 CA ARG A 114 -3.322 -2.165 3.470 1.00 0.00 C ATOM 871 C ARG A 114 -2.624 -2.842 4.647 1.00 0.00 C ATOM 872 O ARG A 114 -2.864 -4.016 4.933 1.00 0.00 O ATOM 873 CB ARG A 114 -4.838 -2.318 3.606 1.00 0.00 C ATOM 874 CG ARG A 114 -5.400 -1.706 4.879 1.00 0.00 C ATOM 875 CD ARG A 114 -6.676 -2.406 5.318 1.00 0.00 C ATOM 876 NE ARG A 114 -6.403 -3.690 5.960 1.00 0.00 N ATOM 877 CZ ARG A 114 -6.060 -3.814 7.237 1.00 0.00 C ATOM 878 NH1 ARG A 114 -5.949 -2.739 8.005 1.00 0.00 N ATOM 879 NH2 ARG A 114 -5.828 -5.016 7.748 1.00 0.00 N ATOM 0 H ARG A 114 -2.935 -3.743 2.145 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.068 -1.105 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.320 -1.853 2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.092 -3.378 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.657 -1.770 5.674 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.602 -0.647 4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.222 -1.764 6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.320 -2.563 4.452 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.480 -4.537 5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.127 -1.813 7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.685 -2.838 8.985 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.913 -5.845 7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -5.565 -5.111 8.729 1.00 0.00 H new ATOM 893 N LEU A 115 -1.759 -2.095 5.324 1.00 0.00 N ATOM 894 CA LEU A 115 -1.026 -2.623 6.470 1.00 0.00 C ATOM 895 C LEU A 115 -1.875 -2.562 7.735 1.00 0.00 C ATOM 896 O LEU A 115 -3.031 -2.141 7.698 1.00 0.00 O ATOM 897 CB LEU A 115 0.271 -1.838 6.675 1.00 0.00 C ATOM 898 CG LEU A 115 1.037 -1.464 5.405 1.00 0.00 C ATOM 899 CD1 LEU A 115 2.353 -0.787 5.756 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.281 -2.697 4.547 1.00 0.00 C ATOM 0 H LEU A 115 -1.548 -1.123 5.100 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.785 -3.666 6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 115 0.036 -0.922 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.931 -2.425 7.314 1.00 0.00 H new ATOM 0 HG LEU A 115 0.432 -0.761 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.885 -0.528 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.155 0.119 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.964 -1.466 6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.827 -2.412 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.865 -3.423 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.325 -3.140 4.266 1.00 0.00 H new ATOM 912 N GLU A 116 -1.293 -2.984 8.853 1.00 0.00 N ATOM 913 CA GLU A 116 -1.997 -2.977 10.130 1.00 0.00 C ATOM 914 C GLU A 116 -2.036 -1.571 10.721 1.00 0.00 C ATOM 915 O GLU A 116 -3.097 -0.952 10.815 1.00 0.00 O ATOM 916 CB GLU A 116 -1.326 -3.937 11.114 1.00 0.00 C ATOM 917 CG GLU A 116 -2.213 -4.328 12.284 1.00 0.00 C ATOM 918 CD GLU A 116 -3.319 -5.286 11.883 1.00 0.00 C ATOM 919 OE1 GLU A 116 -4.101 -4.940 10.972 1.00 0.00 O ATOM 920 OE2 GLU A 116 -3.403 -6.379 12.480 1.00 0.00 O ATOM 0 H GLU A 116 -0.336 -3.335 8.900 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.021 -3.307 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -1.024 -4.838 10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.417 -3.474 11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -1.602 -4.789 13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.654 -3.430 12.717 1.00 0.00 H new ATOM 927 N THR A 117 -0.871 -1.070 11.121 1.00 0.00 N ATOM 928 CA THR A 117 -0.771 0.261 11.705 1.00 0.00 C ATOM 929 C THR A 117 -0.478 1.309 10.637 1.00 0.00 C ATOM 930 O THR A 117 -0.275 0.979 9.469 1.00 0.00 O ATOM 931 CB THR A 117 0.329 0.321 12.782 1.00 0.00 C ATOM 932 OG1 THR A 117 1.592 -0.041 12.213 1.00 0.00 O ATOM 933 CG2 THR A 117 0.004 -0.610 13.940 1.00 0.00 C ATOM 0 H THR A 117 0.017 -1.567 11.051 1.00 0.00 H new ATOM 0 HA THR A 117 -1.734 0.476 12.168 1.00 0.00 H new ATOM 0 HB THR A 117 0.380 1.342 13.160 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.286 0.001 12.904 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.795 -0.550 14.688 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.944 -0.314 14.390 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.072 -1.634 13.573 1.00 0.00 H new ATOM 941 N ARG A 118 -0.457 2.574 11.046 1.00 0.00 N ATOM 942 CA ARG A 118 -0.190 3.670 10.123 1.00 0.00 C ATOM 943 C ARG A 118 1.298 4.007 10.096 1.00 0.00 C ATOM 944 O ARG A 118 1.859 4.311 9.043 1.00 0.00 O ATOM 945 CB ARG A 118 -0.997 4.908 10.521 1.00 0.00 C ATOM 946 CG ARG A 118 -0.789 5.332 11.966 1.00 0.00 C ATOM 947 CD ARG A 118 -1.614 6.562 12.309 1.00 0.00 C ATOM 948 NE ARG A 118 -1.489 6.930 13.716 1.00 0.00 N ATOM 949 CZ ARG A 118 -1.725 8.152 14.181 1.00 0.00 C ATOM 950 NH1 ARG A 118 -2.097 9.119 13.353 1.00 0.00 N ATOM 951 NH2 ARG A 118 -1.590 8.409 15.475 1.00 0.00 N ATOM 0 H ARG A 118 -0.622 2.864 12.010 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.492 3.353 9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.724 5.735 9.866 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -2.056 4.709 10.359 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -1.063 4.512 12.630 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.267 5.541 12.137 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -1.295 7.398 11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -2.662 6.372 12.076 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.205 6.209 14.379 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -2.202 8.925 12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -2.278 10.056 13.712 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -1.305 7.668 16.115 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -1.772 9.348 15.830 1.00 0.00 H new ATOM 965 N THR A 119 1.934 3.953 11.263 1.00 0.00 N ATOM 966 CA THR A 119 3.355 4.253 11.374 1.00 0.00 C ATOM 967 C THR A 119 4.167 3.454 10.361 1.00 0.00 C ATOM 968 O THR A 119 4.952 4.017 9.596 1.00 0.00 O ATOM 969 CB THR A 119 3.884 3.954 12.789 1.00 0.00 C ATOM 970 OG1 THR A 119 3.035 4.563 13.769 1.00 0.00 O ATOM 971 CG2 THR A 119 5.307 4.466 12.955 1.00 0.00 C ATOM 0 H THR A 119 1.486 3.704 12.145 1.00 0.00 H new ATOM 0 HA THR A 119 3.469 5.317 11.169 1.00 0.00 H new ATOM 0 HB THR A 119 3.885 2.873 12.931 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.377 4.367 14.666 1.00 0.00 H new ATOM 0 HG21 THR A 119 5.659 4.243 13.962 1.00 0.00 H new ATOM 0 HG22 THR A 119 5.956 3.978 12.228 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.327 5.544 12.794 1.00 0.00 H new ATOM 979 N LEU A 120 3.974 2.140 10.360 1.00 0.00 N ATOM 980 CA LEU A 120 4.688 1.262 9.439 1.00 0.00 C ATOM 981 C LEU A 120 4.418 1.657 7.991 1.00 0.00 C ATOM 982 O LEU A 120 5.318 1.633 7.152 1.00 0.00 O ATOM 983 CB LEU A 120 4.277 -0.193 9.668 1.00 0.00 C ATOM 984 CG LEU A 120 4.651 -0.791 11.025 1.00 0.00 C ATOM 985 CD1 LEU A 120 3.814 -2.027 11.313 1.00 0.00 C ATOM 986 CD2 LEU A 120 6.135 -1.127 11.069 1.00 0.00 C ATOM 0 H LEU A 120 3.329 1.659 10.987 1.00 0.00 H new ATOM 0 HA LEU A 120 5.756 1.366 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.196 -0.268 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.729 -0.804 8.887 1.00 0.00 H new ATOM 0 HG LEU A 120 4.444 -0.050 11.797 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.094 -2.438 12.283 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.758 -1.757 11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.989 -2.773 10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.383 -1.551 12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.368 -1.850 10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.718 -0.220 10.909 1.00 0.00 H new ATOM 998 N ALA A 121 3.172 2.021 7.705 1.00 0.00 N ATOM 999 CA ALA A 121 2.785 2.425 6.359 1.00 0.00 C ATOM 1000 C ALA A 121 3.631 3.597 5.872 1.00 0.00 C ATOM 1001 O ALA A 121 4.069 3.622 4.723 1.00 0.00 O ATOM 1002 CB ALA A 121 1.307 2.788 6.321 1.00 0.00 C ATOM 0 H ALA A 121 2.414 2.044 8.387 1.00 0.00 H new ATOM 0 HA ALA A 121 2.959 1.582 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 121 1.032 3.088 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.712 1.924 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.117 3.612 7.008 1.00 0.00 H new ATOM 1008 N GLU A 122 3.856 4.565 6.754 1.00 0.00 N ATOM 1009 CA GLU A 122 4.649 5.740 6.412 1.00 0.00 C ATOM 1010 C GLU A 122 6.093 5.353 6.110 1.00 0.00 C ATOM 1011 O GLU A 122 6.604 5.619 5.022 1.00 0.00 O ATOM 1012 CB GLU A 122 4.610 6.759 7.554 1.00 0.00 C ATOM 1013 CG GLU A 122 3.365 7.630 7.550 1.00 0.00 C ATOM 1014 CD GLU A 122 3.559 8.927 8.311 1.00 0.00 C ATOM 1015 OE1 GLU A 122 4.458 9.707 7.934 1.00 0.00 O ATOM 1016 OE2 GLU A 122 2.812 9.162 9.284 1.00 0.00 O ATOM 0 H GLU A 122 3.501 4.559 7.710 1.00 0.00 H new ATOM 0 HA GLU A 122 4.218 6.190 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 122 4.669 6.229 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.491 7.398 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.087 7.855 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.536 7.075 7.990 1.00 0.00 H new ATOM 1023 N ILE A 123 6.746 4.723 7.082 1.00 0.00 N ATOM 1024 CA ILE A 123 8.131 4.299 6.920 1.00 0.00 C ATOM 1025 C ILE A 123 8.315 3.503 5.632 1.00 0.00 C ATOM 1026 O ILE A 123 9.321 3.650 4.939 1.00 0.00 O ATOM 1027 CB ILE A 123 8.600 3.442 8.111 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.565 4.263 9.402 1.00 0.00 C ATOM 1029 CG2 ILE A 123 10.000 2.903 7.857 1.00 0.00 C ATOM 1030 CD1 ILE A 123 8.794 3.437 10.649 1.00 0.00 C ATOM 0 H ILE A 123 6.338 4.495 7.989 1.00 0.00 H new ATOM 0 HA ILE A 123 8.735 5.205 6.874 1.00 0.00 H new ATOM 0 HB ILE A 123 7.921 2.596 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.324 5.043 9.348 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.600 4.763 9.479 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.317 2.300 8.707 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.995 2.288 6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.692 3.735 7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.756 4.083 11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 123 8.020 2.674 10.727 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.772 2.958 10.594 1.00 0.00 H new ATOM 1042 N ALA A 124 7.336 2.661 5.318 1.00 0.00 N ATOM 1043 CA ALA A 124 7.388 1.845 4.111 1.00 0.00 C ATOM 1044 C ALA A 124 6.958 2.647 2.887 1.00 0.00 C ATOM 1045 O ALA A 124 7.313 2.312 1.757 1.00 0.00 O ATOM 1046 CB ALA A 124 6.513 0.611 4.271 1.00 0.00 C ATOM 0 H ALA A 124 6.497 2.526 5.883 1.00 0.00 H new ATOM 0 HA ALA A 124 8.420 1.528 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.561 0.011 3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.868 0.020 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.482 0.917 4.450 1.00 0.00 H new ATOM 1052 N LYS A 125 6.191 3.706 3.120 1.00 0.00 N ATOM 1053 CA LYS A 125 5.712 4.557 2.037 1.00 0.00 C ATOM 1054 C LYS A 125 6.845 5.406 1.470 1.00 0.00 C ATOM 1055 O LYS A 125 6.850 5.741 0.285 1.00 0.00 O ATOM 1056 CB LYS A 125 4.581 5.461 2.533 1.00 0.00 C ATOM 1057 CG LYS A 125 4.011 6.369 1.456 1.00 0.00 C ATOM 1058 CD LYS A 125 4.748 7.696 1.399 1.00 0.00 C ATOM 1059 CE LYS A 125 4.188 8.688 2.408 1.00 0.00 C ATOM 1060 NZ LYS A 125 5.019 9.921 2.493 1.00 0.00 N ATOM 0 H LYS A 125 5.887 3.996 4.050 1.00 0.00 H new ATOM 0 HA LYS A 125 5.332 3.913 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.780 4.840 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.951 6.074 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.077 5.873 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.953 6.547 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.808 7.534 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.671 8.114 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 125 3.169 8.955 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.135 8.217 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.513 10.644 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 5.922 9.700 2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.204 10.282 1.535 1.00 0.00 H new ATOM 1074 N VAL A 126 7.804 5.751 2.323 1.00 0.00 N ATOM 1075 CA VAL A 126 8.944 6.559 1.907 1.00 0.00 C ATOM 1076 C VAL A 126 10.119 5.680 1.492 1.00 0.00 C ATOM 1077 O VAL A 126 10.879 6.029 0.590 1.00 0.00 O ATOM 1078 CB VAL A 126 9.399 7.509 3.031 1.00 0.00 C ATOM 1079 CG1 VAL A 126 10.641 8.279 2.609 1.00 0.00 C ATOM 1080 CG2 VAL A 126 8.275 8.461 3.411 1.00 0.00 C ATOM 0 H VAL A 126 7.814 5.483 3.307 1.00 0.00 H new ATOM 0 HA VAL A 126 8.617 7.151 1.052 1.00 0.00 H new ATOM 0 HB VAL A 126 9.651 6.912 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.948 8.945 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.447 7.578 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.420 8.866 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 126 8.614 9.125 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 126 7.990 9.053 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.415 7.888 3.758 1.00 0.00 H new ATOM 1090 N GLU A 127 10.259 4.537 2.157 1.00 0.00 N ATOM 1091 CA GLU A 127 11.343 3.608 1.858 1.00 0.00 C ATOM 1092 C GLU A 127 11.135 2.953 0.495 1.00 0.00 C ATOM 1093 O GLU A 127 12.011 3.001 -0.369 1.00 0.00 O ATOM 1094 CB GLU A 127 11.438 2.535 2.943 1.00 0.00 C ATOM 1095 CG GLU A 127 12.215 2.979 4.172 1.00 0.00 C ATOM 1096 CD GLU A 127 13.715 2.844 3.994 1.00 0.00 C ATOM 1097 OE1 GLU A 127 14.319 3.736 3.362 1.00 0.00 O ATOM 1098 OE2 GLU A 127 14.284 1.848 4.486 1.00 0.00 O ATOM 0 H GLU A 127 9.636 4.233 2.905 1.00 0.00 H new ATOM 0 HA GLU A 127 12.276 4.172 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.431 2.245 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.913 1.648 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.971 4.018 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.900 2.386 5.030 1.00 0.00 H new ATOM 1105 N LEU A 128 9.971 2.340 0.312 1.00 0.00 N ATOM 1106 CA LEU A 128 9.648 1.673 -0.945 1.00 0.00 C ATOM 1107 C LEU A 128 9.260 2.688 -2.016 1.00 0.00 C ATOM 1108 O LEU A 128 9.012 2.327 -3.166 1.00 0.00 O ATOM 1109 CB LEU A 128 8.508 0.674 -0.736 1.00 0.00 C ATOM 1110 CG LEU A 128 8.782 -0.460 0.252 1.00 0.00 C ATOM 1111 CD1 LEU A 128 7.478 -1.074 0.736 1.00 0.00 C ATOM 1112 CD2 LEU A 128 9.668 -1.521 -0.386 1.00 0.00 C ATOM 0 H LEU A 128 9.236 2.291 1.017 1.00 0.00 H new ATOM 0 HA LEU A 128 10.535 1.138 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.630 1.222 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 128 8.255 0.235 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 128 9.306 -0.046 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.694 -1.879 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 128 6.878 -0.311 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 128 6.926 -1.473 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.853 -2.320 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.170 -1.930 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.617 -1.073 -0.682 1.00 0.00 H new ATOM 1124 N ASP A 129 9.211 3.958 -1.630 1.00 0.00 N ATOM 1125 CA ASP A 129 8.856 5.026 -2.557 1.00 0.00 C ATOM 1126 C ASP A 129 9.775 5.015 -3.775 1.00 0.00 C ATOM 1127 O ASP A 129 10.985 4.832 -3.650 1.00 0.00 O ATOM 1128 CB ASP A 129 8.933 6.384 -1.858 1.00 0.00 C ATOM 1129 CG ASP A 129 10.313 7.005 -1.948 1.00 0.00 C ATOM 1130 OD1 ASP A 129 11.307 6.272 -1.760 1.00 0.00 O ATOM 1131 OD2 ASP A 129 10.399 8.223 -2.207 1.00 0.00 O ATOM 0 H ASP A 129 9.413 4.273 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 129 7.833 4.857 -2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.204 7.060 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.659 6.266 -0.810 1.00 0.00 H new ATOM 1136 N ASN A 130 9.190 5.210 -4.953 1.00 0.00 N ATOM 1137 CA ASN A 130 9.956 5.221 -6.194 1.00 0.00 C ATOM 1138 C ASN A 130 11.102 4.215 -6.135 1.00 0.00 C ATOM 1139 O ASN A 130 12.259 4.564 -6.366 1.00 0.00 O ATOM 1140 CB ASN A 130 10.505 6.622 -6.466 1.00 0.00 C ATOM 1141 CG ASN A 130 10.980 6.789 -7.897 1.00 0.00 C ATOM 1142 OD1 ASN A 130 10.174 6.859 -8.825 1.00 0.00 O ATOM 1143 ND2 ASN A 130 12.293 6.854 -8.081 1.00 0.00 N ATOM 0 H ASN A 130 8.189 5.362 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 130 9.288 4.936 -7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 130 9.731 7.360 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.332 6.824 -5.786 1.00 0.00 H new ATOM 0 HD21 ASN A 130 12.671 6.966 -9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 130 12.924 6.792 -7.282 1.00 0.00 H new ATOM 1150 N MET A 131 10.770 2.966 -5.824 1.00 0.00 N ATOM 1151 CA MET A 131 11.772 1.910 -5.736 1.00 0.00 C ATOM 1152 C MET A 131 11.872 1.146 -7.053 1.00 0.00 C ATOM 1153 O MET A 131 10.869 0.744 -7.643 1.00 0.00 O ATOM 1154 CB MET A 131 11.429 0.946 -4.598 1.00 0.00 C ATOM 1155 CG MET A 131 12.452 -0.163 -4.412 1.00 0.00 C ATOM 1156 SD MET A 131 12.030 -1.278 -3.060 1.00 0.00 S ATOM 1157 CE MET A 131 11.185 -2.583 -3.948 1.00 0.00 C ATOM 0 H MET A 131 9.816 2.661 -5.629 1.00 0.00 H new ATOM 0 HA MET A 131 12.737 2.374 -5.531 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.343 1.509 -3.669 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.453 0.500 -4.792 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.535 -0.734 -5.337 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.430 0.279 -4.222 1.00 0.00 H new ATOM 0 HE1 MET A 131 11.192 -3.494 -3.349 1.00 0.00 H new ATOM 0 HE2 MET A 131 10.155 -2.284 -4.141 1.00 0.00 H new ATOM 0 HE3 MET A 131 11.693 -2.767 -4.895 1.00 0.00 H new ATOM 1167 N PRO A 132 13.111 0.939 -7.525 1.00 0.00 N ATOM 1168 CA PRO A 132 13.371 0.222 -8.776 1.00 0.00 C ATOM 1169 C PRO A 132 13.059 -1.267 -8.667 1.00 0.00 C ATOM 1170 O PRO A 132 13.657 -1.980 -7.860 1.00 0.00 O ATOM 1171 CB PRO A 132 14.869 0.438 -9.005 1.00 0.00 C ATOM 1172 CG PRO A 132 15.429 0.678 -7.645 1.00 0.00 C ATOM 1173 CD PRO A 132 14.352 1.390 -6.874 1.00 0.00 C ATOM 0 HA PRO A 132 12.744 0.585 -9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.327 -0.433 -9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 132 15.050 1.287 -9.664 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.698 -0.262 -7.162 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.336 1.281 -7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.371 1.123 -5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.465 2.473 -6.932 1.00 0.00 H new ATOM 1181 N LEU A 133 12.119 -1.731 -9.483 1.00 0.00 N ATOM 1182 CA LEU A 133 11.728 -3.137 -9.478 1.00 0.00 C ATOM 1183 C LEU A 133 11.678 -3.693 -10.898 1.00 0.00 C ATOM 1184 O LEU A 133 10.920 -3.209 -11.738 1.00 0.00 O ATOM 1185 CB LEU A 133 10.365 -3.304 -8.805 1.00 0.00 C ATOM 1186 CG LEU A 133 9.733 -4.693 -8.904 1.00 0.00 C ATOM 1187 CD1 LEU A 133 10.528 -5.701 -8.087 1.00 0.00 C ATOM 1188 CD2 LEU A 133 8.284 -4.655 -8.443 1.00 0.00 C ATOM 0 H LEU A 133 11.614 -1.155 -10.156 1.00 0.00 H new ATOM 0 HA LEU A 133 12.476 -3.695 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.469 -3.049 -7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 133 9.676 -2.581 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 133 9.753 -5.006 -9.948 1.00 0.00 H new ATOM 0 HD11 LEU A 133 10.063 -6.684 -8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 133 11.550 -5.750 -8.464 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.541 -5.393 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.851 -5.652 -8.521 1.00 0.00 H new ATOM 0 HD22 LEU A 133 8.241 -4.320 -7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.720 -3.965 -9.071 1.00 0.00 H new ATOM 1200 N ARG A 134 12.490 -4.713 -11.157 1.00 0.00 N ATOM 1201 CA ARG A 134 12.537 -5.336 -12.474 1.00 0.00 C ATOM 1202 C ARG A 134 12.633 -4.280 -13.571 1.00 0.00 C ATOM 1203 O ARG A 134 11.969 -4.380 -14.602 1.00 0.00 O ATOM 1204 CB ARG A 134 11.299 -6.206 -12.695 1.00 0.00 C ATOM 1205 CG ARG A 134 11.089 -7.253 -11.614 1.00 0.00 C ATOM 1206 CD ARG A 134 11.873 -8.522 -11.908 1.00 0.00 C ATOM 1207 NE ARG A 134 12.017 -9.363 -10.722 1.00 0.00 N ATOM 1208 CZ ARG A 134 12.549 -10.580 -10.745 1.00 0.00 C ATOM 1209 NH1 ARG A 134 12.985 -11.096 -11.886 1.00 0.00 N ATOM 1210 NH2 ARG A 134 12.646 -11.285 -9.625 1.00 0.00 N ATOM 0 H ARG A 134 13.124 -5.125 -10.472 1.00 0.00 H new ATOM 0 HA ARG A 134 13.426 -5.965 -12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 134 10.419 -5.565 -12.744 1.00 0.00 H new ATOM 0 HB3 ARG A 134 11.384 -6.705 -13.660 1.00 0.00 H new ATOM 0 HG2 ARG A 134 11.397 -6.849 -10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 134 10.028 -7.489 -11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 134 11.369 -9.086 -12.693 1.00 0.00 H new ATOM 0 HD3 ARG A 134 12.860 -8.259 -12.288 1.00 0.00 H new ATOM 0 HE ARG A 134 11.691 -8.996 -9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 134 12.912 -10.558 -12.750 1.00 0.00 H new ATOM 0 HH12 ARG A 134 13.393 -12.031 -11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 134 12.312 -10.893 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 134 13.055 -12.219 -9.644 1.00 0.00 H new ATOM 1224 N GLY A 135 13.465 -3.268 -13.341 1.00 0.00 N ATOM 1225 CA GLY A 135 13.632 -2.209 -14.319 1.00 0.00 C ATOM 1226 C GLY A 135 12.401 -1.333 -14.440 1.00 0.00 C ATOM 1227 O GLY A 135 12.122 -0.785 -15.507 1.00 0.00 O ATOM 0 H GLY A 135 14.026 -3.163 -12.495 1.00 0.00 H new ATOM 0 HA2 GLY A 135 14.487 -1.593 -14.040 1.00 0.00 H new ATOM 0 HA3 GLY A 135 13.859 -2.648 -15.291 1.00 0.00 H new ATOM 1231 N LYS A 136 11.660 -1.201 -13.345 1.00 0.00 N ATOM 1232 CA LYS A 136 10.451 -0.386 -13.333 1.00 0.00 C ATOM 1233 C LYS A 136 10.470 0.599 -12.168 1.00 0.00 C ATOM 1234 O LYS A 136 11.355 0.545 -11.314 1.00 0.00 O ATOM 1235 CB LYS A 136 9.211 -1.278 -13.240 1.00 0.00 C ATOM 1236 CG LYS A 136 9.138 -2.334 -14.329 1.00 0.00 C ATOM 1237 CD LYS A 136 8.449 -1.803 -15.575 1.00 0.00 C ATOM 1238 CE LYS A 136 6.935 -1.850 -15.437 1.00 0.00 C ATOM 1239 NZ LYS A 136 6.250 -1.507 -16.714 1.00 0.00 N ATOM 0 H LYS A 136 11.876 -1.648 -12.454 1.00 0.00 H new ATOM 0 HA LYS A 136 10.415 0.180 -14.264 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.200 -1.770 -12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.319 -0.653 -13.291 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.145 -2.667 -14.583 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.599 -3.205 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.767 -0.777 -15.759 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.755 -2.391 -16.440 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.630 -2.847 -15.118 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.620 -1.156 -14.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.220 -1.550 -16.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.520 -0.546 -17.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.531 -2.185 -17.451 1.00 0.00 H new ATOM 1253 N GLN A 137 9.489 1.495 -12.140 1.00 0.00 N ATOM 1254 CA GLN A 137 9.395 2.490 -11.078 1.00 0.00 C ATOM 1255 C GLN A 137 8.101 2.323 -10.288 1.00 0.00 C ATOM 1256 O GLN A 137 7.010 2.567 -10.805 1.00 0.00 O ATOM 1257 CB GLN A 137 9.469 3.901 -11.665 1.00 0.00 C ATOM 1258 CG GLN A 137 10.888 4.426 -11.810 1.00 0.00 C ATOM 1259 CD GLN A 137 10.933 5.908 -12.127 1.00 0.00 C ATOM 1260 OE1 GLN A 137 10.625 6.325 -13.244 1.00 0.00 O ATOM 1261 NE2 GLN A 137 11.317 6.713 -11.143 1.00 0.00 N ATOM 0 H GLN A 137 8.749 1.553 -12.839 1.00 0.00 H new ATOM 0 HA GLN A 137 10.235 2.341 -10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 137 8.988 3.904 -12.643 1.00 0.00 H new ATOM 0 HB3 GLN A 137 8.902 4.581 -11.028 1.00 0.00 H new ATOM 0 HG2 GLN A 137 11.436 4.239 -10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.397 3.874 -12.600 1.00 0.00 H new ATOM 0 HE21 GLN A 137 11.563 6.324 -10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 137 11.366 7.720 -11.298 1.00 0.00 H new ATOM 1270 N LEU A 138 8.229 1.904 -9.034 1.00 0.00 N ATOM 1271 CA LEU A 138 7.070 1.703 -8.172 1.00 0.00 C ATOM 1272 C LEU A 138 6.639 3.015 -7.524 1.00 0.00 C ATOM 1273 O LEU A 138 7.401 3.629 -6.776 1.00 0.00 O ATOM 1274 CB LEU A 138 7.386 0.667 -7.092 1.00 0.00 C ATOM 1275 CG LEU A 138 7.633 -0.760 -7.582 1.00 0.00 C ATOM 1276 CD1 LEU A 138 8.373 -1.567 -6.527 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.317 -1.434 -7.945 1.00 0.00 C ATOM 0 H LEU A 138 9.124 1.697 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 138 6.249 1.337 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.268 1.000 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.559 0.648 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 138 8.254 -0.714 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.540 -2.580 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.333 -1.095 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 138 7.778 -1.605 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.512 -2.449 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.671 -1.468 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 138 5.825 -0.868 -8.736 1.00 0.00 H new ATOM 1289 N ARG A 139 5.413 3.438 -7.815 1.00 0.00 N ATOM 1290 CA ARG A 139 4.881 4.676 -7.260 1.00 0.00 C ATOM 1291 C ARG A 139 4.097 4.405 -5.979 1.00 0.00 C ATOM 1292 O ARG A 139 3.023 3.804 -6.011 1.00 0.00 O ATOM 1293 CB ARG A 139 3.982 5.374 -8.283 1.00 0.00 C ATOM 1294 CG ARG A 139 3.538 6.763 -7.856 1.00 0.00 C ATOM 1295 CD ARG A 139 4.635 7.792 -8.081 1.00 0.00 C ATOM 1296 NE ARG A 139 4.869 8.042 -9.501 1.00 0.00 N ATOM 1297 CZ ARG A 139 5.869 8.784 -9.962 1.00 0.00 C ATOM 1298 NH1 ARG A 139 6.724 9.347 -9.119 1.00 0.00 N ATOM 1299 NH2 ARG A 139 6.016 8.965 -11.268 1.00 0.00 N ATOM 0 H ARG A 139 4.770 2.941 -8.432 1.00 0.00 H new ATOM 0 HA ARG A 139 5.721 5.328 -7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 139 4.514 5.447 -9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 139 3.100 4.758 -8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 139 2.648 7.050 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 139 3.261 6.750 -6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 139 4.363 8.726 -7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 139 5.558 7.445 -7.617 1.00 0.00 H new ATOM 0 HE ARG A 139 4.229 7.623 -10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 139 6.614 9.210 -8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 139 7.491 9.917 -9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 139 5.360 8.534 -11.920 1.00 0.00 H new ATOM 0 HH22 ARG A 139 6.785 9.535 -11.620 1.00 0.00 H new ATOM 1313 N VAL A 140 4.641 4.853 -4.852 1.00 0.00 N ATOM 1314 CA VAL A 140 3.993 4.659 -3.560 1.00 0.00 C ATOM 1315 C VAL A 140 3.426 5.970 -3.029 1.00 0.00 C ATOM 1316 O VAL A 140 4.170 6.856 -2.609 1.00 0.00 O ATOM 1317 CB VAL A 140 4.972 4.078 -2.523 1.00 0.00 C ATOM 1318 CG1 VAL A 140 4.212 3.473 -1.352 1.00 0.00 C ATOM 1319 CG2 VAL A 140 5.882 3.045 -3.170 1.00 0.00 C ATOM 0 H VAL A 140 5.529 5.353 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 140 3.179 3.951 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 140 5.594 4.888 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.920 3.067 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.607 4.243 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 140 3.564 2.674 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.567 2.645 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.279 2.235 -3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.453 3.514 -3.971 1.00 0.00 H new ATOM 1329 N ARG A 141 2.102 6.087 -3.048 1.00 0.00 N ATOM 1330 CA ARG A 141 1.434 7.291 -2.569 1.00 0.00 C ATOM 1331 C ARG A 141 0.194 6.936 -1.752 1.00 0.00 C ATOM 1332 O ARG A 141 -0.433 5.900 -1.975 1.00 0.00 O ATOM 1333 CB ARG A 141 1.043 8.186 -3.746 1.00 0.00 C ATOM 1334 CG ARG A 141 0.097 7.519 -4.731 1.00 0.00 C ATOM 1335 CD ARG A 141 0.037 8.278 -6.047 1.00 0.00 C ATOM 1336 NE ARG A 141 -0.996 9.311 -6.036 1.00 0.00 N ATOM 1337 CZ ARG A 141 -1.098 10.258 -6.962 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -0.235 10.302 -7.968 1.00 0.00 N ATOM 1339 NH2 ARG A 141 -2.065 11.163 -6.884 1.00 0.00 N ATOM 0 H ARG A 141 1.471 5.362 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 141 2.130 7.831 -1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.574 9.092 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.946 8.493 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.424 6.495 -4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.901 7.462 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.006 8.736 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.158 7.579 -6.860 1.00 0.00 H new ATOM 0 HE ARG A 141 -1.676 9.305 -5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 141 0.509 9.608 -8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.316 11.030 -8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.731 11.132 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -2.142 11.890 -7.596 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.152 7.802 -0.806 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.315 7.579 0.045 1.00 0.00 C ATOM 1355 C PHE A 142 -2.609 7.783 -0.738 1.00 0.00 C ATOM 1356 O PHE A 142 -2.877 8.872 -1.243 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.281 8.523 1.249 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.364 8.063 2.346 1.00 0.00 C ATOM 1359 CD1 PHE A 142 -0.596 6.865 3.004 1.00 0.00 C ATOM 1360 CD2 PHE A 142 0.730 8.827 2.719 1.00 0.00 C ATOM 1361 CE1 PHE A 142 0.246 6.440 4.014 1.00 0.00 C ATOM 1362 CE2 PHE A 142 1.576 8.406 3.728 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.334 7.210 4.375 1.00 0.00 C ATOM 0 H PHE A 142 0.356 8.664 -0.609 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.283 6.548 0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -0.968 9.513 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.290 8.625 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.444 6.257 2.724 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.924 9.763 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.053 5.506 4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.425 9.011 4.010 1.00 0.00 H new ATOM 0 HZ PHE A 142 1.995 6.878 5.162 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.408 6.725 -0.834 1.00 0.00 N ATOM 1374 CA ALA A 143 -4.674 6.787 -1.554 1.00 0.00 C ATOM 1375 C ALA A 143 -5.764 7.417 -0.694 1.00 0.00 C ATOM 1376 O ALA A 143 -6.145 6.870 0.341 1.00 0.00 O ATOM 1377 CB ALA A 143 -5.093 5.395 -2.004 1.00 0.00 C ATOM 0 H ALA A 143 -3.201 5.815 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.533 7.415 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.040 5.456 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.329 4.980 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -5.210 4.751 -1.133 1.00 0.00 H new