USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 130:sc= -0.283 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -3.05 X(o=-3.1,f=-3.1) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 34 TYR OH : rot 103:sc= 0.115 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.0107 X(o=0.011,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.014) USER MOD Single : A 49 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.19) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 14:sc= 0.564 USER MOD Single : A 68 SER OG : rot 55:sc= 0.732 USER MOD Single : A 71 HIS : no HD1:sc= -0.336 K(o=-0.34,f=-1.8) USER MOD Single : A 75 SER OG : rot -140:sc= 2.08 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -66:sc= 1.3 USER MOD Single : A 94 TYR OH : rot 138:sc= 0.0302 USER MOD Single : A 97 SER OG : rot 124:sc= 0.361 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl -171:sc= 0 (180deg=-0.0561) USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= -2.52 (180deg=-4.88!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 25.839 -3.425 8.869 1.00 0.00 N ATOM 229 CA ILE A 18 24.920 -2.482 8.244 1.00 0.00 C ATOM 230 C ILE A 18 25.095 -1.080 8.818 1.00 0.00 C ATOM 231 O ILE A 18 25.266 -0.910 10.025 1.00 0.00 O ATOM 232 CB ILE A 18 23.454 -2.920 8.427 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.232 -4.303 7.811 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.515 -1.899 7.802 1.00 0.00 C ATOM 235 CD1 ILE A 18 21.904 -4.924 8.185 1.00 0.00 C ATOM 0 HA ILE A 18 25.157 -2.468 7.180 1.00 0.00 H new ATOM 0 HB ILE A 18 23.238 -2.979 9.494 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.294 -4.223 6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.037 -4.967 8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.483 -2.222 7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.659 -0.931 8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.729 -1.812 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.814 -5.903 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.847 -5.036 9.268 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.093 -4.281 7.844 1.00 0.00 H new ATOM 247 N ALA A 19 25.049 -0.079 7.945 1.00 0.00 N ATOM 248 CA ALA A 19 25.199 1.308 8.365 1.00 0.00 C ATOM 249 C ALA A 19 23.972 1.784 9.135 1.00 0.00 C ATOM 250 O ALA A 19 24.085 2.286 10.253 1.00 0.00 O ATOM 251 CB ALA A 19 25.447 2.201 7.159 1.00 0.00 C ATOM 0 H ALA A 19 24.909 -0.203 6.942 1.00 0.00 H new ATOM 0 HA ALA A 19 26.060 1.369 9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.557 3.234 7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.358 1.883 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.604 2.127 6.472 1.00 0.00 H new ATOM 257 N GLU A 20 22.800 1.624 8.528 1.00 0.00 N ATOM 258 CA GLU A 20 21.552 2.040 9.157 1.00 0.00 C ATOM 259 C GLU A 20 20.455 1.004 8.926 1.00 0.00 C ATOM 260 O GLU A 20 20.234 0.536 7.809 1.00 0.00 O ATOM 261 CB GLU A 20 21.108 3.399 8.613 1.00 0.00 C ATOM 262 CG GLU A 20 20.145 4.137 9.528 1.00 0.00 C ATOM 263 CD GLU A 20 20.840 4.769 10.718 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.797 4.160 11.240 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.428 5.875 11.126 1.00 0.00 O ATOM 0 H GLU A 20 22.689 1.210 7.603 1.00 0.00 H new ATOM 0 HA GLU A 20 21.727 2.126 10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.988 4.020 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.635 3.255 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.630 4.911 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.383 3.443 9.883 1.00 0.00 H new ATOM 272 N PRO A 21 19.750 0.637 10.007 1.00 0.00 N ATOM 273 CA PRO A 21 18.665 -0.346 9.948 1.00 0.00 C ATOM 274 C PRO A 21 17.441 0.185 9.210 1.00 0.00 C ATOM 275 O PRO A 21 17.139 1.379 9.236 1.00 0.00 O ATOM 276 CB PRO A 21 18.334 -0.597 11.421 1.00 0.00 C ATOM 277 CG PRO A 21 18.762 0.645 12.123 1.00 0.00 C ATOM 278 CD PRO A 21 19.959 1.155 11.370 1.00 0.00 C ATOM 0 HA PRO A 21 18.957 -1.244 9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.269 -0.784 11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.864 -1.470 11.803 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.961 1.385 12.130 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.014 0.438 13.163 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.008 2.244 11.383 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.891 0.789 11.801 1.00 0.00 H new ATOM 286 N PRO A 22 16.717 -0.720 8.535 1.00 0.00 N ATOM 287 CA PRO A 22 15.513 -0.365 7.777 1.00 0.00 C ATOM 288 C PRO A 22 14.353 0.031 8.684 1.00 0.00 C ATOM 289 O PRO A 22 13.856 -0.782 9.465 1.00 0.00 O ATOM 290 CB PRO A 22 15.182 -1.651 7.015 1.00 0.00 C ATOM 291 CG PRO A 22 15.780 -2.742 7.835 1.00 0.00 C ATOM 292 CD PRO A 22 17.017 -2.159 8.459 1.00 0.00 C ATOM 0 HA PRO A 22 15.677 0.498 7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.105 -1.781 6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.603 -1.635 6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.082 -3.084 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 22 16.025 -3.606 7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.207 -2.582 9.445 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.902 -2.353 7.853 1.00 0.00 H new ATOM 300 N LYS A 23 13.925 1.284 8.576 1.00 0.00 N ATOM 301 CA LYS A 23 12.821 1.788 9.385 1.00 0.00 C ATOM 302 C LYS A 23 11.728 2.384 8.504 1.00 0.00 C ATOM 303 O LYS A 23 11.964 3.345 7.771 1.00 0.00 O ATOM 304 CB LYS A 23 13.326 2.843 10.373 1.00 0.00 C ATOM 305 CG LYS A 23 12.269 3.309 11.359 1.00 0.00 C ATOM 306 CD LYS A 23 12.170 2.375 12.553 1.00 0.00 C ATOM 307 CE LYS A 23 13.214 2.706 13.608 1.00 0.00 C ATOM 308 NZ LYS A 23 12.766 3.807 14.505 1.00 0.00 N ATOM 0 H LYS A 23 14.326 1.970 7.936 1.00 0.00 H new ATOM 0 HA LYS A 23 12.399 0.951 9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.172 2.435 10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.695 3.704 9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.509 4.315 11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.302 3.365 10.858 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.174 2.446 12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.300 1.345 12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.425 1.817 14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.146 2.992 13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.505 4.003 15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.589 4.663 13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.891 3.525 14.990 1.00 0.00 H new ATOM 322 N ILE A 24 10.533 1.808 8.581 1.00 0.00 N ATOM 323 CA ILE A 24 9.404 2.284 7.792 1.00 0.00 C ATOM 324 C ILE A 24 8.617 3.350 8.546 1.00 0.00 C ATOM 325 O ILE A 24 7.905 3.049 9.504 1.00 0.00 O ATOM 326 CB ILE A 24 8.454 1.131 7.415 1.00 0.00 C ATOM 327 CG1 ILE A 24 9.200 0.073 6.600 1.00 0.00 C ATOM 328 CG2 ILE A 24 7.259 1.662 6.638 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.403 -1.193 6.380 1.00 0.00 C ATOM 0 H ILE A 24 10.322 1.011 9.182 1.00 0.00 H new ATOM 0 HA ILE A 24 9.816 2.717 6.881 1.00 0.00 H new ATOM 0 HB ILE A 24 8.089 0.666 8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.470 0.495 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.131 -0.177 7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.597 0.836 6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.717 2.382 7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.605 2.149 5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.994 -1.898 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.155 -1.639 7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.485 -0.956 5.843 1.00 0.00 H new ATOM 341 N ARG A 25 8.749 4.597 8.106 1.00 0.00 N ATOM 342 CA ARG A 25 8.050 5.709 8.739 1.00 0.00 C ATOM 343 C ARG A 25 6.672 5.911 8.114 1.00 0.00 C ATOM 344 O ARG A 25 6.556 6.362 6.974 1.00 0.00 O ATOM 345 CB ARG A 25 8.872 6.993 8.615 1.00 0.00 C ATOM 346 CG ARG A 25 10.287 6.864 9.153 1.00 0.00 C ATOM 347 CD ARG A 25 10.302 6.792 10.672 1.00 0.00 C ATOM 348 NE ARG A 25 9.901 8.056 11.284 1.00 0.00 N ATOM 349 CZ ARG A 25 9.780 8.231 12.595 1.00 0.00 C ATOM 350 NH1 ARG A 25 10.028 7.229 13.427 1.00 0.00 N ATOM 351 NH2 ARG A 25 9.411 9.412 13.076 1.00 0.00 N ATOM 0 H ARG A 25 9.334 4.863 7.314 1.00 0.00 H new ATOM 0 HA ARG A 25 7.920 5.470 9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.916 7.286 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.361 7.794 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.754 5.969 8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.882 7.715 8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.631 6.000 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.303 6.526 11.012 1.00 0.00 H new ATOM 0 HE ARG A 25 9.703 8.847 10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.313 6.321 13.061 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.934 7.367 14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.220 10.185 12.439 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.318 9.546 14.083 1.00 0.00 H new ATOM 365 N LEU A 26 5.632 5.575 8.868 1.00 0.00 N ATOM 366 CA LEU A 26 4.261 5.719 8.388 1.00 0.00 C ATOM 367 C LEU A 26 3.619 6.984 8.948 1.00 0.00 C ATOM 368 O LEU A 26 3.706 7.279 10.140 1.00 0.00 O ATOM 369 CB LEU A 26 3.431 4.495 8.780 1.00 0.00 C ATOM 370 CG LEU A 26 3.414 3.345 7.773 1.00 0.00 C ATOM 371 CD1 LEU A 26 3.023 2.044 8.455 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.463 3.655 6.626 1.00 0.00 C ATOM 0 H LEU A 26 5.711 5.201 9.814 1.00 0.00 H new ATOM 0 HA LEU A 26 4.289 5.798 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.808 4.114 9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.404 4.817 8.951 1.00 0.00 H new ATOM 0 HG LEU A 26 4.418 3.230 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.016 1.237 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.743 1.815 9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.029 2.146 8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.464 2.826 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.456 3.798 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.788 4.564 6.120 1.00 0.00 H new ATOM 384 N PRO A 27 2.956 7.750 8.069 1.00 0.00 N ATOM 385 CA PRO A 27 2.283 8.995 8.453 1.00 0.00 C ATOM 386 C PRO A 27 1.050 8.745 9.314 1.00 0.00 C ATOM 387 O PRO A 27 0.826 7.630 9.786 1.00 0.00 O ATOM 388 CB PRO A 27 1.882 9.610 7.110 1.00 0.00 C ATOM 389 CG PRO A 27 1.776 8.451 6.179 1.00 0.00 C ATOM 390 CD PRO A 27 2.812 7.460 6.632 1.00 0.00 C ATOM 0 HA PRO A 27 2.925 9.637 9.056 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.935 10.144 7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.626 10.328 6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.778 8.014 6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.955 8.760 5.149 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.489 6.433 6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.754 7.591 6.099 1.00 0.00 H new ATOM 398 N ARG A 28 0.252 9.789 9.514 1.00 0.00 N ATOM 399 CA ARG A 28 -0.958 9.682 10.320 1.00 0.00 C ATOM 400 C ARG A 28 -2.177 9.426 9.438 1.00 0.00 C ATOM 401 O ARG A 28 -3.055 8.637 9.789 1.00 0.00 O ATOM 402 CB ARG A 28 -1.166 10.958 11.137 1.00 0.00 C ATOM 403 CG ARG A 28 -2.076 10.769 12.340 1.00 0.00 C ATOM 404 CD ARG A 28 -2.162 12.036 13.178 1.00 0.00 C ATOM 405 NE ARG A 28 -3.201 12.942 12.694 1.00 0.00 N ATOM 406 CZ ARG A 28 -3.336 14.195 13.112 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.502 14.689 14.016 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.306 14.958 12.624 1.00 0.00 N ATOM 0 H ARG A 28 0.422 10.718 9.129 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.839 8.839 11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.197 11.323 11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.587 11.728 10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.073 10.486 12.003 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.703 9.950 12.955 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.366 11.771 14.216 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.199 12.547 13.163 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.859 12.593 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.754 14.106 14.392 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.608 15.652 14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.949 14.582 11.927 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.409 15.920 12.946 1.00 0.00 H new ATOM 422 N HIS A 29 -2.224 10.098 8.292 1.00 0.00 N ATOM 423 CA HIS A 29 -3.335 9.943 7.360 1.00 0.00 C ATOM 424 C HIS A 29 -3.452 8.496 6.890 1.00 0.00 C ATOM 425 O HIS A 29 -4.491 8.083 6.372 1.00 0.00 O ATOM 426 CB HIS A 29 -3.153 10.869 6.157 1.00 0.00 C ATOM 427 CG HIS A 29 -1.792 10.784 5.537 1.00 0.00 C ATOM 428 ND1 HIS A 29 -0.789 11.694 5.796 1.00 0.00 N ATOM 429 CD2 HIS A 29 -1.270 9.889 4.666 1.00 0.00 C ATOM 430 CE1 HIS A 29 0.291 11.363 5.110 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.025 10.271 4.416 1.00 0.00 N ATOM 0 H HIS A 29 -1.506 10.755 7.987 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.254 10.213 7.881 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.902 10.625 5.404 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.338 11.897 6.469 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.868 12.497 6.420 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.778 9.033 4.246 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.231 11.895 5.116 1.00 0.00 H new ATOM 440 N LEU A 30 -2.381 7.732 7.072 1.00 0.00 N ATOM 441 CA LEU A 30 -2.363 6.331 6.666 1.00 0.00 C ATOM 442 C LEU A 30 -2.841 5.429 7.800 1.00 0.00 C ATOM 443 O LEU A 30 -3.701 4.571 7.603 1.00 0.00 O ATOM 444 CB LEU A 30 -0.954 5.923 6.234 1.00 0.00 C ATOM 445 CG LEU A 30 -0.581 6.230 4.783 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.827 5.743 4.479 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.584 5.597 3.830 1.00 0.00 C ATOM 0 H LEU A 30 -1.514 8.059 7.498 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.043 6.214 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.237 6.422 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.841 4.851 6.398 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.607 7.310 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.075 5.970 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.535 6.243 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.882 4.666 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.303 5.826 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.590 4.516 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.579 5.995 4.032 1.00 0.00 H new ATOM 459 N ARG A 31 -2.278 5.631 8.987 1.00 0.00 N ATOM 460 CA ARG A 31 -2.647 4.837 10.153 1.00 0.00 C ATOM 461 C ARG A 31 -4.125 4.462 10.109 1.00 0.00 C ATOM 462 O ARG A 31 -4.509 3.366 10.517 1.00 0.00 O ATOM 463 CB ARG A 31 -2.343 5.608 11.439 1.00 0.00 C ATOM 464 CG ARG A 31 -0.858 5.732 11.738 1.00 0.00 C ATOM 465 CD ARG A 31 -0.597 5.815 13.234 1.00 0.00 C ATOM 466 NE ARG A 31 -0.710 4.511 13.882 1.00 0.00 N ATOM 467 CZ ARG A 31 0.199 3.550 13.763 1.00 0.00 C ATOM 468 NH1 ARG A 31 1.282 3.745 13.023 1.00 0.00 N ATOM 469 NH2 ARG A 31 0.026 2.390 14.384 1.00 0.00 N ATOM 0 H ARG A 31 -1.565 6.338 9.167 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.057 3.921 10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.775 6.606 11.365 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.833 5.110 12.276 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.329 4.875 11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.460 6.621 11.248 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.400 6.220 13.406 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.305 6.508 13.688 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.532 4.328 14.457 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.419 4.635 12.543 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.978 3.005 12.933 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.806 2.236 14.954 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.725 1.653 14.292 1.00 0.00 H new ATOM 483 N GLN A 32 -4.949 5.380 9.613 1.00 0.00 N ATOM 484 CA GLN A 32 -6.385 5.145 9.518 1.00 0.00 C ATOM 485 C GLN A 32 -6.779 4.750 8.099 1.00 0.00 C ATOM 486 O GLN A 32 -6.035 4.989 7.147 1.00 0.00 O ATOM 487 CB GLN A 32 -7.157 6.395 9.945 1.00 0.00 C ATOM 488 CG GLN A 32 -6.595 7.060 11.191 1.00 0.00 C ATOM 489 CD GLN A 32 -7.255 8.392 11.489 1.00 0.00 C ATOM 490 OE1 GLN A 32 -7.244 9.302 10.659 1.00 0.00 O ATOM 491 NE2 GLN A 32 -7.834 8.514 12.678 1.00 0.00 N ATOM 0 H GLN A 32 -4.647 6.292 9.271 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.638 4.323 10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.151 7.114 9.125 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.198 6.126 10.125 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.727 6.395 12.044 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.523 7.210 11.066 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.819 7.734 13.335 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.294 9.388 12.934 1.00 0.00 H new ATOM 500 N THR A 33 -7.954 4.143 7.963 1.00 0.00 N ATOM 501 CA THR A 33 -8.447 3.713 6.660 1.00 0.00 C ATOM 502 C THR A 33 -8.415 4.859 5.655 1.00 0.00 C ATOM 503 O THR A 33 -9.045 5.896 5.862 1.00 0.00 O ATOM 504 CB THR A 33 -9.884 3.169 6.755 1.00 0.00 C ATOM 505 OG1 THR A 33 -10.003 2.293 7.882 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.266 2.423 5.485 1.00 0.00 C ATOM 0 H THR A 33 -8.582 3.938 8.740 1.00 0.00 H new ATOM 0 HA THR A 33 -7.786 2.916 6.319 1.00 0.00 H new ATOM 0 HB THR A 33 -10.561 4.014 6.879 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.920 1.953 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.285 2.048 5.576 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.203 3.100 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.584 1.586 5.335 1.00 0.00 H new ATOM 514 N TYR A 34 -7.679 4.664 4.567 1.00 0.00 N ATOM 515 CA TYR A 34 -7.563 5.683 3.530 1.00 0.00 C ATOM 516 C TYR A 34 -8.845 5.769 2.707 1.00 0.00 C ATOM 517 O TYR A 34 -9.080 4.953 1.816 1.00 0.00 O ATOM 518 CB TYR A 34 -6.376 5.377 2.615 1.00 0.00 C ATOM 519 CG TYR A 34 -5.869 6.583 1.858 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.430 7.716 2.531 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.830 6.591 0.469 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.966 8.821 1.844 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.367 7.690 -0.227 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.936 8.803 0.465 1.00 0.00 C ATOM 525 OH TYR A 34 -4.475 9.901 -0.224 1.00 0.00 O ATOM 0 H TYR A 34 -7.154 3.810 4.380 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.399 6.644 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.563 4.966 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.667 4.606 1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.452 7.733 3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.168 5.722 -0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.629 9.694 2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.342 7.678 -1.307 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.564 9.729 -0.541 1.00 0.00 H new ATOM 535 N ILE A 35 -9.670 6.765 3.012 1.00 0.00 N ATOM 536 CA ILE A 35 -10.927 6.961 2.301 1.00 0.00 C ATOM 537 C ILE A 35 -10.741 7.878 1.097 1.00 0.00 C ATOM 538 O ILE A 35 -10.241 8.996 1.228 1.00 0.00 O ATOM 539 CB ILE A 35 -12.009 7.554 3.222 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.069 6.779 4.540 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.363 7.536 2.529 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.526 5.346 4.378 1.00 0.00 C ATOM 0 H ILE A 35 -9.490 7.449 3.747 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.252 5.978 1.959 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.749 8.589 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.082 6.787 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.745 7.292 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.117 7.958 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.312 8.128 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.632 6.509 2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.545 4.858 5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.526 5.330 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.837 4.817 3.720 1.00 0.00 H new ATOM 554 N ARG A 36 -11.146 7.399 -0.074 1.00 0.00 N ATOM 555 CA ARG A 36 -11.025 8.177 -1.301 1.00 0.00 C ATOM 556 C ARG A 36 -12.162 7.852 -2.265 1.00 0.00 C ATOM 557 O ARG A 36 -12.600 6.706 -2.362 1.00 0.00 O ATOM 558 CB ARG A 36 -9.678 7.902 -1.973 1.00 0.00 C ATOM 559 CG ARG A 36 -8.556 8.799 -1.478 1.00 0.00 C ATOM 560 CD ARG A 36 -8.727 10.228 -1.970 1.00 0.00 C ATOM 561 NE ARG A 36 -9.531 11.030 -1.052 1.00 0.00 N ATOM 562 CZ ARG A 36 -10.011 12.232 -1.354 1.00 0.00 C ATOM 563 NH1 ARG A 36 -9.769 12.767 -2.543 1.00 0.00 N ATOM 564 NH2 ARG A 36 -10.735 12.901 -0.465 1.00 0.00 N ATOM 0 H ARG A 36 -11.561 6.476 -0.199 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.084 9.233 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.402 6.861 -1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.786 8.030 -3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.534 8.788 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.598 8.407 -1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.747 10.689 -2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.199 10.219 -2.952 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.735 10.647 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.213 12.256 -3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.139 13.690 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.923 12.493 0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.103 13.823 -0.697 1.00 0.00 H new ATOM 578 N LYS A 37 -12.636 8.870 -2.977 1.00 0.00 N ATOM 579 CA LYS A 37 -13.721 8.694 -3.934 1.00 0.00 C ATOM 580 C LYS A 37 -13.207 8.084 -5.234 1.00 0.00 C ATOM 581 O LYS A 37 -12.035 8.234 -5.581 1.00 0.00 O ATOM 582 CB LYS A 37 -14.398 10.037 -4.221 1.00 0.00 C ATOM 583 CG LYS A 37 -15.495 10.389 -3.232 1.00 0.00 C ATOM 584 CD LYS A 37 -15.972 11.820 -3.413 1.00 0.00 C ATOM 585 CE LYS A 37 -16.781 11.981 -4.691 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.861 13.404 -5.121 1.00 0.00 N ATOM 0 H LYS A 37 -12.285 9.825 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.450 8.012 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.644 10.824 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.820 10.014 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.335 9.706 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.126 10.253 -2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.580 12.113 -2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.113 12.490 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.328 11.387 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.787 11.591 -4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.420 13.472 -5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.316 13.967 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.903 13.769 -5.294 1.00 0.00 H new ATOM 600 N VAL A 38 -14.091 7.397 -5.950 1.00 0.00 N ATOM 601 CA VAL A 38 -13.727 6.766 -7.214 1.00 0.00 C ATOM 602 C VAL A 38 -13.382 7.810 -8.269 1.00 0.00 C ATOM 603 O VAL A 38 -13.927 8.913 -8.269 1.00 0.00 O ATOM 604 CB VAL A 38 -14.864 5.873 -7.743 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.661 5.569 -9.220 1.00 0.00 C ATOM 606 CG2 VAL A 38 -14.953 4.588 -6.934 1.00 0.00 C ATOM 0 H VAL A 38 -15.065 7.263 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.851 6.148 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.806 6.411 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.474 4.937 -9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.651 6.501 -9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.712 5.051 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.762 3.969 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.011 4.044 -7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.149 4.829 -5.889 1.00 0.00 H new ATOM 616 N GLY A 39 -12.471 7.454 -9.171 1.00 0.00 N ATOM 617 CA GLY A 39 -12.069 8.371 -10.221 1.00 0.00 C ATOM 618 C GLY A 39 -10.984 9.329 -9.770 1.00 0.00 C ATOM 619 O GLY A 39 -10.064 9.636 -10.527 1.00 0.00 O ATOM 0 H GLY A 39 -12.005 6.547 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.713 7.802 -11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.937 8.940 -10.554 1.00 0.00 H new ATOM 623 N GLU A 40 -11.093 9.804 -8.533 1.00 0.00 N ATOM 624 CA GLU A 40 -10.114 10.735 -7.984 1.00 0.00 C ATOM 625 C GLU A 40 -8.710 10.139 -8.031 1.00 0.00 C ATOM 626 O GLU A 40 -8.539 8.922 -7.956 1.00 0.00 O ATOM 627 CB GLU A 40 -10.477 11.100 -6.543 1.00 0.00 C ATOM 628 CG GLU A 40 -11.474 12.242 -6.437 1.00 0.00 C ATOM 629 CD GLU A 40 -10.841 13.595 -6.697 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.633 13.749 -6.420 1.00 0.00 O ATOM 631 OE2 GLU A 40 -11.554 14.501 -7.178 1.00 0.00 O ATOM 0 H GLU A 40 -11.849 9.560 -7.893 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.127 11.638 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.890 10.221 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.568 11.371 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.283 12.081 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.920 12.239 -5.442 1.00 0.00 H new ATOM 638 N GLN A 41 -7.710 11.005 -8.155 1.00 0.00 N ATOM 639 CA GLN A 41 -6.321 10.564 -8.213 1.00 0.00 C ATOM 640 C GLN A 41 -5.836 10.108 -6.841 1.00 0.00 C ATOM 641 O GLN A 41 -6.270 10.630 -5.813 1.00 0.00 O ATOM 642 CB GLN A 41 -5.427 11.690 -8.735 1.00 0.00 C ATOM 643 CG GLN A 41 -5.575 11.943 -10.226 1.00 0.00 C ATOM 644 CD GLN A 41 -5.280 13.381 -10.606 1.00 0.00 C ATOM 645 OE1 GLN A 41 -6.110 14.270 -10.410 1.00 0.00 O ATOM 646 NE2 GLN A 41 -4.094 13.618 -11.154 1.00 0.00 N ATOM 0 H GLN A 41 -7.835 12.015 -8.217 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.264 9.718 -8.898 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.660 12.607 -8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.387 11.447 -8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.902 11.282 -10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.589 11.690 -10.535 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.437 12.852 -11.298 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.840 14.566 -11.431 1.00 0.00 H new ATOM 655 N LEU A 42 -4.936 9.132 -6.831 1.00 0.00 N ATOM 656 CA LEU A 42 -4.392 8.605 -5.584 1.00 0.00 C ATOM 657 C LEU A 42 -2.976 9.119 -5.347 1.00 0.00 C ATOM 658 O LEU A 42 -2.195 9.271 -6.286 1.00 0.00 O ATOM 659 CB LEU A 42 -4.394 7.076 -5.610 1.00 0.00 C ATOM 660 CG LEU A 42 -5.749 6.402 -5.390 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.648 4.905 -5.639 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.260 6.678 -3.984 1.00 0.00 C ATOM 0 H LEU A 42 -4.567 8.689 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.025 8.949 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.000 6.749 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.705 6.719 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.461 6.820 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.622 4.443 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.328 4.728 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.922 4.470 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.225 6.191 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.549 6.289 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.373 7.753 -3.842 1.00 0.00 H new ATOM 674 N ASN A 43 -2.651 9.384 -4.086 1.00 0.00 N ATOM 675 CA ASN A 43 -1.327 9.879 -3.726 1.00 0.00 C ATOM 676 C ASN A 43 -0.912 9.370 -2.349 1.00 0.00 C ATOM 677 O ASN A 43 -1.494 9.752 -1.332 1.00 0.00 O ATOM 678 CB ASN A 43 -1.310 11.409 -3.743 1.00 0.00 C ATOM 679 CG ASN A 43 -0.251 11.986 -2.824 1.00 0.00 C ATOM 680 OD1 ASN A 43 -0.559 12.501 -1.750 1.00 0.00 O ATOM 681 ND2 ASN A 43 1.006 11.902 -3.245 1.00 0.00 N ATOM 0 H ASN A 43 -3.286 9.264 -3.297 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.614 9.506 -4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.132 11.756 -4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.289 11.784 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.762 12.273 -2.670 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.215 11.466 -4.143 1.00 0.00 H new ATOM 688 N LEU A 44 0.098 8.508 -2.322 1.00 0.00 N ATOM 689 CA LEU A 44 0.592 7.947 -1.070 1.00 0.00 C ATOM 690 C LEU A 44 2.110 8.068 -0.981 1.00 0.00 C ATOM 691 O LEU A 44 2.840 7.441 -1.749 1.00 0.00 O ATOM 692 CB LEU A 44 0.178 6.479 -0.947 1.00 0.00 C ATOM 693 CG LEU A 44 -1.315 6.217 -0.751 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.609 4.726 -0.818 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.789 6.798 0.573 1.00 0.00 C ATOM 0 H LEU A 44 0.591 8.182 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 44 0.152 8.512 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.504 5.954 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.717 6.039 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.860 6.710 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.677 4.559 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.307 4.339 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.054 4.210 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.854 6.602 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.238 6.335 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.615 7.874 0.581 1.00 0.00 H new ATOM 707 N VAL A 45 2.580 8.877 -0.037 1.00 0.00 N ATOM 708 CA VAL A 45 4.011 9.079 0.156 1.00 0.00 C ATOM 709 C VAL A 45 4.473 8.500 1.488 1.00 0.00 C ATOM 710 O VAL A 45 4.388 9.157 2.526 1.00 0.00 O ATOM 711 CB VAL A 45 4.380 10.573 0.102 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.869 10.764 0.347 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.969 11.175 -1.233 1.00 0.00 C ATOM 0 H VAL A 45 1.990 9.404 0.607 1.00 0.00 H new ATOM 0 HA VAL A 45 4.516 8.559 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 45 3.837 11.093 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.111 11.826 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.129 10.371 1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.435 10.232 -0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.237 12.231 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.483 10.654 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.892 11.072 -1.362 1.00 0.00 H new ATOM 723 N VAL A 46 4.962 7.264 1.453 1.00 0.00 N ATOM 724 CA VAL A 46 5.440 6.596 2.658 1.00 0.00 C ATOM 725 C VAL A 46 6.960 6.657 2.754 1.00 0.00 C ATOM 726 O VAL A 46 7.679 5.907 2.093 1.00 0.00 O ATOM 727 CB VAL A 46 4.992 5.123 2.697 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.182 4.545 4.091 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.544 4.994 2.250 1.00 0.00 C ATOM 0 H VAL A 46 5.037 6.705 0.603 1.00 0.00 H new ATOM 0 HA VAL A 46 5.005 7.123 3.507 1.00 0.00 H new ATOM 0 HB VAL A 46 5.613 4.554 2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.860 3.504 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.235 4.602 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.587 5.115 4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.245 3.946 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.905 5.576 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.443 5.367 1.231 1.00 0.00 H new ATOM 739 N PRO A 47 7.464 7.571 3.596 1.00 0.00 N ATOM 740 CA PRO A 47 8.904 7.751 3.800 1.00 0.00 C ATOM 741 C PRO A 47 9.536 6.577 4.540 1.00 0.00 C ATOM 742 O PRO A 47 8.906 5.960 5.399 1.00 0.00 O ATOM 743 CB PRO A 47 8.986 9.024 4.647 1.00 0.00 C ATOM 744 CG PRO A 47 7.678 9.092 5.356 1.00 0.00 C ATOM 745 CD PRO A 47 6.666 8.498 4.416 1.00 0.00 C ATOM 0 HA PRO A 47 9.444 7.815 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.816 8.978 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.145 9.904 4.024 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.713 8.537 6.293 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.422 10.122 5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.874 7.978 4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.187 9.263 3.806 1.00 0.00 H new ATOM 753 N PHE A 48 10.785 6.274 4.202 1.00 0.00 N ATOM 754 CA PHE A 48 11.502 5.173 4.834 1.00 0.00 C ATOM 755 C PHE A 48 12.967 5.537 5.061 1.00 0.00 C ATOM 756 O PHE A 48 13.519 6.389 4.365 1.00 0.00 O ATOM 757 CB PHE A 48 11.406 3.912 3.974 1.00 0.00 C ATOM 758 CG PHE A 48 11.956 4.088 2.587 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.322 4.190 2.378 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.108 4.152 1.494 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.832 4.354 1.104 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.612 4.314 0.217 1.00 0.00 C ATOM 763 CZ PHE A 48 12.976 4.415 0.022 1.00 0.00 C ATOM 0 H PHE A 48 11.321 6.775 3.494 1.00 0.00 H new ATOM 0 HA PHE A 48 11.039 4.980 5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.943 3.103 4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.362 3.607 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.996 4.141 3.220 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.041 4.074 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.899 4.434 0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.940 4.362 -0.627 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.372 4.541 -0.975 1.00 0.00 H new ATOM 773 N GLN A 49 13.588 4.885 6.038 1.00 0.00 N ATOM 774 CA GLN A 49 14.988 5.140 6.357 1.00 0.00 C ATOM 775 C GLN A 49 15.823 3.874 6.196 1.00 0.00 C ATOM 776 O GLN A 49 15.290 2.795 5.942 1.00 0.00 O ATOM 777 CB GLN A 49 15.118 5.674 7.785 1.00 0.00 C ATOM 778 CG GLN A 49 14.119 6.770 8.118 1.00 0.00 C ATOM 779 CD GLN A 49 14.634 7.727 9.175 1.00 0.00 C ATOM 780 OE1 GLN A 49 15.725 8.284 9.046 1.00 0.00 O ATOM 781 NE2 GLN A 49 13.850 7.923 10.229 1.00 0.00 N ATOM 0 H GLN A 49 13.144 4.176 6.622 1.00 0.00 H new ATOM 0 HA GLN A 49 15.363 5.890 5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.987 4.849 8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.128 6.058 7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.882 7.328 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.190 6.317 8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.954 7.440 10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.144 8.556 10.973 1.00 0.00 H new ATOM 790 N GLY A 50 17.137 4.014 6.346 1.00 0.00 N ATOM 791 CA GLY A 50 18.024 2.874 6.213 1.00 0.00 C ATOM 792 C GLY A 50 19.243 3.183 5.367 1.00 0.00 C ATOM 793 O GLY A 50 19.263 4.169 4.630 1.00 0.00 O ATOM 0 H GLY A 50 17.602 4.897 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.345 2.550 7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.478 2.043 5.767 1.00 0.00 H new ATOM 797 N LYS A 51 20.265 2.340 5.474 1.00 0.00 N ATOM 798 CA LYS A 51 21.495 2.528 4.714 1.00 0.00 C ATOM 799 C LYS A 51 22.231 1.204 4.534 1.00 0.00 C ATOM 800 O LYS A 51 22.003 0.236 5.260 1.00 0.00 O ATOM 801 CB LYS A 51 22.405 3.538 5.417 1.00 0.00 C ATOM 802 CG LYS A 51 22.187 4.971 4.964 1.00 0.00 C ATOM 803 CD LYS A 51 23.384 5.847 5.291 1.00 0.00 C ATOM 804 CE LYS A 51 22.968 7.289 5.540 1.00 0.00 C ATOM 805 NZ LYS A 51 24.139 8.162 5.830 1.00 0.00 N ATOM 0 H LYS A 51 20.265 1.520 6.080 1.00 0.00 H new ATOM 0 HA LYS A 51 21.229 2.913 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.239 3.477 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.445 3.264 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.004 4.990 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.297 5.375 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.892 5.456 6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 51 24.099 5.810 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.438 7.670 4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.271 7.326 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.814 9.136 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 24.630 7.814 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 24.792 8.147 5.021 1.00 0.00 H new ATOM 819 N PRO A 52 23.136 1.158 3.545 1.00 0.00 N ATOM 820 CA PRO A 52 23.415 2.304 2.674 1.00 0.00 C ATOM 821 C PRO A 52 22.256 2.611 1.732 1.00 0.00 C ATOM 822 O PRO A 52 21.830 3.760 1.611 1.00 0.00 O ATOM 823 CB PRO A 52 24.644 1.854 1.880 1.00 0.00 C ATOM 824 CG PRO A 52 24.575 0.366 1.885 1.00 0.00 C ATOM 825 CD PRO A 52 23.955 -0.016 3.201 1.00 0.00 C ATOM 0 HA PRO A 52 23.570 3.221 3.243 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.625 2.248 0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.565 2.209 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.976 0.000 1.051 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.568 -0.071 1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.348 -0.917 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.712 -0.214 3.960 1.00 0.00 H new ATOM 833 N ARG A 53 21.750 1.578 1.066 1.00 0.00 N ATOM 834 CA ARG A 53 20.640 1.739 0.134 1.00 0.00 C ATOM 835 C ARG A 53 19.586 0.657 0.352 1.00 0.00 C ATOM 836 O ARG A 53 19.702 -0.465 -0.141 1.00 0.00 O ATOM 837 CB ARG A 53 21.147 1.689 -1.308 1.00 0.00 C ATOM 838 CG ARG A 53 20.152 2.229 -2.322 1.00 0.00 C ATOM 839 CD ARG A 53 20.634 2.009 -3.748 1.00 0.00 C ATOM 840 NE ARG A 53 19.524 1.923 -4.694 1.00 0.00 N ATOM 841 CZ ARG A 53 19.677 1.636 -5.981 1.00 0.00 C ATOM 842 NH1 ARG A 53 20.887 1.408 -6.474 1.00 0.00 N ATOM 843 NH2 ARG A 53 18.619 1.576 -6.779 1.00 0.00 N ATOM 0 H ARG A 53 22.091 0.621 1.154 1.00 0.00 H new ATOM 0 HA ARG A 53 20.182 2.711 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 53 22.072 2.261 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.390 0.658 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.188 1.740 -2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.997 3.294 -2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 53 21.295 2.826 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 53 21.222 1.092 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 53 18.580 2.093 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.703 1.453 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.001 1.188 -7.463 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.687 1.751 -6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.738 1.355 -7.768 1.00 0.00 H new ATOM 857 N PRO A 54 18.533 1.001 1.109 1.00 0.00 N ATOM 858 CA PRO A 54 17.439 0.073 1.409 1.00 0.00 C ATOM 859 C PRO A 54 16.583 -0.230 0.184 1.00 0.00 C ATOM 860 O PRO A 54 16.313 0.653 -0.629 1.00 0.00 O ATOM 861 CB PRO A 54 16.618 0.822 2.462 1.00 0.00 C ATOM 862 CG PRO A 54 16.909 2.262 2.215 1.00 0.00 C ATOM 863 CD PRO A 54 18.331 2.321 1.729 1.00 0.00 C ATOM 0 HA PRO A 54 17.807 -0.896 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.554 0.610 2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.905 0.527 3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.226 2.676 1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.784 2.847 3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.478 3.129 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.029 2.491 2.548 1.00 0.00 H new ATOM 871 N GLN A 55 16.159 -1.484 0.060 1.00 0.00 N ATOM 872 CA GLN A 55 15.334 -1.902 -1.068 1.00 0.00 C ATOM 873 C GLN A 55 13.856 -1.889 -0.694 1.00 0.00 C ATOM 874 O GLN A 55 13.470 -2.360 0.376 1.00 0.00 O ATOM 875 CB GLN A 55 15.742 -3.301 -1.534 1.00 0.00 C ATOM 876 CG GLN A 55 14.919 -3.816 -2.703 1.00 0.00 C ATOM 877 CD GLN A 55 15.314 -3.177 -4.021 1.00 0.00 C ATOM 878 OE1 GLN A 55 14.819 -2.108 -4.378 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.209 -3.831 -4.751 1.00 0.00 N ATOM 0 H GLN A 55 16.373 -2.227 0.725 1.00 0.00 H new ATOM 0 HA GLN A 55 15.491 -1.195 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.794 -3.288 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.647 -3.995 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.037 -4.897 -2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.863 -3.623 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.593 -4.714 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.513 -3.450 -5.647 1.00 0.00 H new ATOM 888 N VAL A 56 13.031 -1.344 -1.583 1.00 0.00 N ATOM 889 CA VAL A 56 11.594 -1.270 -1.348 1.00 0.00 C ATOM 890 C VAL A 56 10.855 -2.368 -2.104 1.00 0.00 C ATOM 891 O VAL A 56 11.325 -2.852 -3.134 1.00 0.00 O ATOM 892 CB VAL A 56 11.026 0.099 -1.769 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.507 0.090 -1.704 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.599 1.205 -0.895 1.00 0.00 C ATOM 0 H VAL A 56 13.334 -0.947 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 56 11.442 -1.405 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 56 11.320 0.293 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.124 1.065 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.119 -0.675 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.188 -0.126 -0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.187 2.165 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.337 1.018 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.684 1.225 -0.998 1.00 0.00 H new ATOM 904 N VAL A 57 9.695 -2.759 -1.586 1.00 0.00 N ATOM 905 CA VAL A 57 8.890 -3.800 -2.212 1.00 0.00 C ATOM 906 C VAL A 57 7.401 -3.506 -2.065 1.00 0.00 C ATOM 907 O VAL A 57 6.891 -3.374 -0.952 1.00 0.00 O ATOM 908 CB VAL A 57 9.191 -5.184 -1.607 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.366 -6.259 -2.297 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.677 -5.495 -1.704 1.00 0.00 C ATOM 0 H VAL A 57 9.292 -2.370 -0.734 1.00 0.00 H new ATOM 0 HA VAL A 57 9.153 -3.810 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 57 8.914 -5.169 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.592 -7.230 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.306 -6.041 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.608 -6.278 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.872 -6.476 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.982 -5.492 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.243 -4.740 -1.159 1.00 0.00 H new ATOM 920 N TRP A 58 6.709 -3.406 -3.194 1.00 0.00 N ATOM 921 CA TRP A 58 5.277 -3.128 -3.191 1.00 0.00 C ATOM 922 C TRP A 58 4.482 -4.362 -3.605 1.00 0.00 C ATOM 923 O TRP A 58 4.736 -4.953 -4.655 1.00 0.00 O ATOM 924 CB TRP A 58 4.961 -1.963 -4.130 1.00 0.00 C ATOM 925 CG TRP A 58 5.248 -0.621 -3.529 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.342 0.164 -3.760 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.430 0.093 -2.595 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.253 1.322 -3.026 1.00 0.00 N ATOM 929 CE2 TRP A 58 5.089 1.304 -2.305 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.204 -0.171 -1.979 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.562 2.245 -1.424 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.683 0.764 -1.105 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.360 1.960 -0.834 1.00 0.00 C ATOM 0 H TRP A 58 7.116 -3.513 -4.123 1.00 0.00 H new ATOM 0 HA TRP A 58 4.987 -2.856 -2.176 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.543 -2.075 -5.045 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.909 -2.009 -4.413 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.157 -0.089 -4.422 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.943 2.074 -3.019 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.673 -1.089 -2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.083 3.167 -1.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.737 0.569 -0.622 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.925 2.671 -0.147 1.00 0.00 H new ATOM 944 N THR A 59 3.518 -4.746 -2.774 1.00 0.00 N ATOM 945 CA THR A 59 2.687 -5.910 -3.054 1.00 0.00 C ATOM 946 C THR A 59 1.342 -5.809 -2.343 1.00 0.00 C ATOM 947 O THR A 59 1.262 -5.336 -1.209 1.00 0.00 O ATOM 948 CB THR A 59 3.385 -7.215 -2.625 1.00 0.00 C ATOM 949 OG1 THR A 59 3.872 -7.092 -1.285 1.00 0.00 O ATOM 950 CG2 THR A 59 4.538 -7.545 -3.561 1.00 0.00 C ATOM 0 H THR A 59 3.294 -4.268 -1.902 1.00 0.00 H new ATOM 0 HA THR A 59 2.525 -5.931 -4.132 1.00 0.00 H new ATOM 0 HB THR A 59 2.656 -8.024 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.313 -7.926 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.015 -8.470 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.159 -7.667 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.267 -6.735 -3.541 1.00 0.00 H new ATOM 958 N LYS A 60 0.288 -6.257 -3.016 1.00 0.00 N ATOM 959 CA LYS A 60 -1.055 -6.220 -2.448 1.00 0.00 C ATOM 960 C LYS A 60 -1.465 -7.595 -1.931 1.00 0.00 C ATOM 961 O LYS A 60 -2.173 -8.338 -2.609 1.00 0.00 O ATOM 962 CB LYS A 60 -2.060 -5.736 -3.496 1.00 0.00 C ATOM 963 CG LYS A 60 -2.246 -4.228 -3.510 1.00 0.00 C ATOM 964 CD LYS A 60 -3.350 -3.811 -4.467 1.00 0.00 C ATOM 965 CE LYS A 60 -4.726 -4.122 -3.899 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.717 -4.411 -4.972 1.00 0.00 N ATOM 0 H LYS A 60 0.337 -6.650 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.050 -5.523 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.729 -6.062 -4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.023 -6.211 -3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.484 -3.881 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.311 -3.748 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.272 -2.743 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.223 -4.327 -5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.657 -4.978 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.072 -3.278 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.642 -4.618 -4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.802 -3.585 -5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.400 -5.233 -5.525 1.00 0.00 H new ATOM 980 N GLY A 61 -1.017 -7.926 -0.724 1.00 0.00 N ATOM 981 CA GLY A 61 -1.350 -9.211 -0.136 1.00 0.00 C ATOM 982 C GLY A 61 -0.288 -10.260 -0.398 1.00 0.00 C ATOM 983 O GLY A 61 0.074 -11.024 0.496 1.00 0.00 O ATOM 0 H GLY A 61 -0.430 -7.328 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.481 -9.092 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.303 -9.555 -0.538 1.00 0.00 H new ATOM 987 N GLY A 62 0.211 -10.301 -1.630 1.00 0.00 N ATOM 988 CA GLY A 62 1.231 -11.270 -1.985 1.00 0.00 C ATOM 989 C GLY A 62 1.401 -11.409 -3.485 1.00 0.00 C ATOM 990 O GLY A 62 1.607 -12.511 -3.994 1.00 0.00 O ATOM 0 H GLY A 62 -0.073 -9.680 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.181 -10.972 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.970 -12.240 -1.560 1.00 0.00 H new ATOM 994 N ALA A 63 1.314 -10.289 -4.196 1.00 0.00 N ATOM 995 CA ALA A 63 1.459 -10.291 -5.646 1.00 0.00 C ATOM 996 C ALA A 63 1.996 -8.954 -6.146 1.00 0.00 C ATOM 997 O ALA A 63 1.720 -7.896 -5.579 1.00 0.00 O ATOM 998 CB ALA A 63 0.128 -10.609 -6.310 1.00 0.00 C ATOM 0 H ALA A 63 1.144 -9.369 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 63 2.179 -11.065 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.252 -10.607 -7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.215 -11.592 -5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.608 -9.857 -6.028 1.00 0.00 H new ATOM 1004 N PRO A 64 2.782 -8.999 -7.232 1.00 0.00 N ATOM 1005 CA PRO A 64 3.373 -7.800 -7.831 1.00 0.00 C ATOM 1006 C PRO A 64 2.330 -6.912 -8.502 1.00 0.00 C ATOM 1007 O PRO A 64 1.556 -7.373 -9.342 1.00 0.00 O ATOM 1008 CB PRO A 64 4.343 -8.365 -8.872 1.00 0.00 C ATOM 1009 CG PRO A 64 3.791 -9.705 -9.216 1.00 0.00 C ATOM 1010 CD PRO A 64 3.152 -10.225 -7.958 1.00 0.00 C ATOM 0 HA PRO A 64 3.849 -7.164 -7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.399 -7.722 -9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.353 -8.444 -8.470 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.061 -9.631 -10.023 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.579 -10.375 -9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.280 -10.842 -8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.842 -10.841 -7.381 1.00 0.00 H new ATOM 1018 N LEU A 65 2.316 -5.638 -8.128 1.00 0.00 N ATOM 1019 CA LEU A 65 1.368 -4.685 -8.694 1.00 0.00 C ATOM 1020 C LEU A 65 1.273 -4.845 -10.208 1.00 0.00 C ATOM 1021 O LEU A 65 2.231 -5.261 -10.859 1.00 0.00 O ATOM 1022 CB LEU A 65 1.783 -3.254 -8.346 1.00 0.00 C ATOM 1023 CG LEU A 65 1.896 -2.932 -6.856 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.624 -1.612 -6.649 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.518 -2.889 -6.213 1.00 0.00 C ATOM 0 H LEU A 65 2.950 -5.241 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 65 0.387 -4.887 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.746 -3.052 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.062 -2.569 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 65 2.474 -3.722 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.695 -1.399 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.626 -1.679 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.073 -0.811 -7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.618 -2.658 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.085 -2.120 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.032 -3.858 -6.329 1.00 0.00 H new ATOM 1037 N ASP A 66 0.112 -4.511 -10.761 1.00 0.00 N ATOM 1038 CA ASP A 66 -0.107 -4.615 -12.199 1.00 0.00 C ATOM 1039 C ASP A 66 0.942 -3.817 -12.968 1.00 0.00 C ATOM 1040 O ASP A 66 1.317 -4.177 -14.084 1.00 0.00 O ATOM 1041 CB ASP A 66 -1.508 -4.119 -12.560 1.00 0.00 C ATOM 1042 CG ASP A 66 -2.570 -4.646 -11.614 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -2.997 -5.806 -11.788 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -2.973 -3.897 -10.700 1.00 0.00 O ATOM 0 H ASP A 66 -0.691 -4.166 -10.236 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.017 -5.664 -12.480 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.520 -3.029 -12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.748 -4.426 -13.578 1.00 0.00 H new ATOM 1049 N THR A 67 1.411 -2.730 -12.364 1.00 0.00 N ATOM 1050 CA THR A 67 2.415 -1.880 -12.991 1.00 0.00 C ATOM 1051 C THR A 67 2.010 -1.510 -14.414 1.00 0.00 C ATOM 1052 O THR A 67 2.861 -1.345 -15.288 1.00 0.00 O ATOM 1053 CB THR A 67 3.793 -2.567 -13.024 1.00 0.00 C ATOM 1054 OG1 THR A 67 3.725 -3.764 -13.807 1.00 0.00 O ATOM 1055 CG2 THR A 67 4.264 -2.902 -11.617 1.00 0.00 C ATOM 0 H THR A 67 1.111 -2.417 -11.441 1.00 0.00 H new ATOM 0 HA THR A 67 2.484 -0.975 -12.388 1.00 0.00 H new ATOM 0 HB THR A 67 4.507 -1.878 -13.475 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.895 -3.767 -14.328 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.239 -3.386 -11.665 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.343 -1.986 -11.032 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.548 -3.574 -11.144 1.00 0.00 H new ATOM 1063 N SER A 68 0.706 -1.382 -14.639 1.00 0.00 N ATOM 1064 CA SER A 68 0.189 -1.034 -15.957 1.00 0.00 C ATOM 1065 C SER A 68 -0.574 0.286 -15.911 1.00 0.00 C ATOM 1066 O SER A 68 -0.466 1.110 -16.819 1.00 0.00 O ATOM 1067 CB SER A 68 -0.724 -2.146 -16.479 1.00 0.00 C ATOM 1068 OG SER A 68 -0.083 -3.408 -16.407 1.00 0.00 O ATOM 0 H SER A 68 -0.011 -1.514 -13.926 1.00 0.00 H new ATOM 0 HA SER A 68 1.036 -0.920 -16.634 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.645 -2.168 -15.896 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.005 -1.936 -17.511 1.00 0.00 H new ATOM 0 HG SER A 68 0.228 -3.565 -15.491 1.00 0.00 H new ATOM 1074 N ARG A 69 -1.346 0.479 -14.846 1.00 0.00 N ATOM 1075 CA ARG A 69 -2.128 1.698 -14.681 1.00 0.00 C ATOM 1076 C ARG A 69 -1.665 2.479 -13.455 1.00 0.00 C ATOM 1077 O ARG A 69 -1.901 3.683 -13.347 1.00 0.00 O ATOM 1078 CB ARG A 69 -3.615 1.361 -14.552 1.00 0.00 C ATOM 1079 CG ARG A 69 -4.075 0.264 -15.499 1.00 0.00 C ATOM 1080 CD ARG A 69 -5.488 -0.195 -15.174 1.00 0.00 C ATOM 1081 NE ARG A 69 -6.143 -0.806 -16.327 1.00 0.00 N ATOM 1082 CZ ARG A 69 -7.446 -1.061 -16.383 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -8.228 -0.758 -15.356 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -7.968 -1.619 -17.468 1.00 0.00 N ATOM 0 H ARG A 69 -1.446 -0.193 -14.085 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.978 2.319 -15.564 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.822 1.055 -13.527 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.201 2.261 -14.740 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.036 0.628 -16.526 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.392 -0.583 -15.435 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.457 -0.911 -14.353 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.076 0.657 -14.832 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.569 -1.051 -17.134 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.830 -0.328 -14.521 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.228 -0.955 -15.401 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.369 -1.853 -18.260 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.968 -1.814 -17.510 1.00 0.00 H new ATOM 1098 N VAL A 70 -1.005 1.786 -12.532 1.00 0.00 N ATOM 1099 CA VAL A 70 -0.508 2.415 -11.314 1.00 0.00 C ATOM 1100 C VAL A 70 0.872 3.024 -11.534 1.00 0.00 C ATOM 1101 O VAL A 70 1.788 2.356 -12.016 1.00 0.00 O ATOM 1102 CB VAL A 70 -0.433 1.406 -10.153 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.115 2.073 -8.900 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.802 0.797 -9.887 1.00 0.00 C ATOM 0 H VAL A 70 -0.802 0.789 -12.605 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.213 3.205 -11.054 1.00 0.00 H new ATOM 0 HB VAL A 70 0.248 0.603 -10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.161 1.345 -8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.116 2.457 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.538 2.896 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.730 0.086 -9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.507 1.586 -9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.151 0.282 -10.782 1.00 0.00 H new ATOM 1114 N HIS A 71 1.015 4.296 -11.176 1.00 0.00 N ATOM 1115 CA HIS A 71 2.285 4.996 -11.332 1.00 0.00 C ATOM 1116 C HIS A 71 2.968 5.191 -9.982 1.00 0.00 C ATOM 1117 O HIS A 71 2.505 5.968 -9.147 1.00 0.00 O ATOM 1118 CB HIS A 71 2.066 6.350 -12.006 1.00 0.00 C ATOM 1119 CG HIS A 71 3.317 6.948 -12.573 1.00 0.00 C ATOM 1120 ND1 HIS A 71 4.575 6.656 -12.091 1.00 0.00 N ATOM 1121 CD2 HIS A 71 3.498 7.824 -13.589 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.477 7.328 -12.784 1.00 0.00 C ATOM 1123 NE2 HIS A 71 4.849 8.044 -13.700 1.00 0.00 N ATOM 0 H HIS A 71 0.267 4.863 -10.776 1.00 0.00 H new ATOM 0 HA HIS A 71 2.932 4.386 -11.962 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.334 6.234 -12.805 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.639 7.042 -11.281 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.724 8.267 -14.199 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.545 7.297 -12.628 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.295 8.660 -14.379 1.00 0.00 H new ATOM 1132 N VAL A 72 4.072 4.480 -9.774 1.00 0.00 N ATOM 1133 CA VAL A 72 4.819 4.575 -8.526 1.00 0.00 C ATOM 1134 C VAL A 72 6.297 4.842 -8.789 1.00 0.00 C ATOM 1135 O VAL A 72 6.942 4.124 -9.552 1.00 0.00 O ATOM 1136 CB VAL A 72 4.682 3.288 -7.690 1.00 0.00 C ATOM 1137 CG1 VAL A 72 4.931 2.061 -8.554 1.00 0.00 C ATOM 1138 CG2 VAL A 72 5.636 3.319 -6.505 1.00 0.00 C ATOM 0 H VAL A 72 4.469 3.832 -10.454 1.00 0.00 H new ATOM 0 HA VAL A 72 4.396 5.409 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 72 3.664 3.231 -7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.830 1.162 -7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.204 2.034 -9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.938 2.107 -8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.526 2.402 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.662 3.400 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.405 4.177 -5.874 1.00 0.00 H new ATOM 1148 N ARG A 73 6.827 5.881 -8.151 1.00 0.00 N ATOM 1149 CA ARG A 73 8.230 6.244 -8.316 1.00 0.00 C ATOM 1150 C ARG A 73 8.971 6.170 -6.984 1.00 0.00 C ATOM 1151 O ARG A 73 8.857 7.065 -6.146 1.00 0.00 O ATOM 1152 CB ARG A 73 8.348 7.653 -8.900 1.00 0.00 C ATOM 1153 CG ARG A 73 9.706 7.943 -9.518 1.00 0.00 C ATOM 1154 CD ARG A 73 10.705 8.414 -8.473 1.00 0.00 C ATOM 1155 NE ARG A 73 12.037 8.612 -9.038 1.00 0.00 N ATOM 1156 CZ ARG A 73 13.031 9.206 -8.387 1.00 0.00 C ATOM 1157 NH1 ARG A 73 12.844 9.657 -7.154 1.00 0.00 N ATOM 1158 NH2 ARG A 73 14.215 9.349 -8.969 1.00 0.00 N ATOM 0 H ARG A 73 6.307 6.486 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 73 8.685 5.533 -9.005 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.577 7.789 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.153 8.381 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.084 7.045 -10.006 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.600 8.704 -10.291 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.356 9.348 -8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.758 7.682 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 73 12.214 8.276 -9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.935 9.548 -6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.609 10.113 -6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.362 9.003 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.978 9.805 -8.468 1.00 0.00 H new ATOM 1172 N THR A 74 9.731 5.096 -6.795 1.00 0.00 N ATOM 1173 CA THR A 74 10.490 4.903 -5.565 1.00 0.00 C ATOM 1174 C THR A 74 11.811 5.662 -5.610 1.00 0.00 C ATOM 1175 O THR A 74 12.588 5.520 -6.555 1.00 0.00 O ATOM 1176 CB THR A 74 10.776 3.412 -5.309 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.594 2.639 -5.546 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.256 3.190 -3.883 1.00 0.00 C ATOM 0 H THR A 74 9.837 4.346 -7.478 1.00 0.00 H new ATOM 0 HA THR A 74 9.878 5.292 -4.751 1.00 0.00 H new ATOM 0 HB THR A 74 11.562 3.093 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.784 1.692 -5.383 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.452 2.129 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.172 3.757 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.489 3.525 -3.185 1.00 0.00 H new ATOM 1186 N SER A 75 12.061 6.467 -4.583 1.00 0.00 N ATOM 1187 CA SER A 75 13.289 7.251 -4.507 1.00 0.00 C ATOM 1188 C SER A 75 14.292 6.599 -3.560 1.00 0.00 C ATOM 1189 O SER A 75 14.037 5.527 -3.010 1.00 0.00 O ATOM 1190 CB SER A 75 12.981 8.675 -4.041 1.00 0.00 C ATOM 1191 OG SER A 75 13.953 9.589 -4.519 1.00 0.00 O ATOM 0 H SER A 75 11.430 6.594 -3.792 1.00 0.00 H new ATOM 0 HA SER A 75 13.729 7.290 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.993 8.971 -4.395 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.952 8.706 -2.952 1.00 0.00 H new ATOM 0 HG SER A 75 14.167 10.237 -3.815 1.00 0.00 H new ATOM 1197 N ASP A 76 15.432 7.255 -3.374 1.00 0.00 N ATOM 1198 CA ASP A 76 16.474 6.741 -2.493 1.00 0.00 C ATOM 1199 C ASP A 76 16.162 7.065 -1.035 1.00 0.00 C ATOM 1200 O ASP A 76 16.681 6.424 -0.121 1.00 0.00 O ATOM 1201 CB ASP A 76 17.833 7.328 -2.879 1.00 0.00 C ATOM 1202 CG ASP A 76 18.532 6.514 -3.950 1.00 0.00 C ATOM 1203 OD1 ASP A 76 18.135 6.621 -5.129 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.476 5.770 -3.609 1.00 0.00 O ATOM 0 H ASP A 76 15.658 8.143 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 76 16.509 5.657 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.697 8.349 -3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.468 7.380 -1.994 1.00 0.00 H new ATOM 1209 N PHE A 77 15.311 8.063 -0.826 1.00 0.00 N ATOM 1210 CA PHE A 77 14.931 8.474 0.521 1.00 0.00 C ATOM 1211 C PHE A 77 13.511 8.019 0.848 1.00 0.00 C ATOM 1212 O PHE A 77 13.265 7.420 1.894 1.00 0.00 O ATOM 1213 CB PHE A 77 15.037 9.994 0.663 1.00 0.00 C ATOM 1214 CG PHE A 77 14.620 10.742 -0.571 1.00 0.00 C ATOM 1215 CD1 PHE A 77 13.296 11.101 -0.766 1.00 0.00 C ATOM 1216 CD2 PHE A 77 15.553 11.086 -1.536 1.00 0.00 C ATOM 1217 CE1 PHE A 77 12.911 11.788 -1.901 1.00 0.00 C ATOM 1218 CE2 PHE A 77 15.173 11.774 -2.674 1.00 0.00 C ATOM 1219 CZ PHE A 77 13.850 12.126 -2.856 1.00 0.00 C ATOM 0 H PHE A 77 14.871 8.602 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 77 15.617 8.002 1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.418 10.317 1.500 1.00 0.00 H new ATOM 0 HB3 PHE A 77 16.066 10.257 0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 77 12.557 10.841 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.589 10.814 -1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 77 11.876 12.061 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 77 15.910 12.036 -3.419 1.00 0.00 H new ATOM 0 HZ PHE A 77 13.550 12.664 -3.743 1.00 0.00 H new ATOM 1229 N ASP A 78 12.581 8.309 -0.055 1.00 0.00 N ATOM 1230 CA ASP A 78 11.186 7.931 0.135 1.00 0.00 C ATOM 1231 C ASP A 78 10.557 7.490 -1.183 1.00 0.00 C ATOM 1232 O ASP A 78 11.080 7.778 -2.260 1.00 0.00 O ATOM 1233 CB ASP A 78 10.394 9.098 0.727 1.00 0.00 C ATOM 1234 CG ASP A 78 10.272 10.262 -0.236 1.00 0.00 C ATOM 1235 OD1 ASP A 78 10.178 10.015 -1.457 1.00 0.00 O ATOM 1236 OD2 ASP A 78 10.268 11.420 0.230 1.00 0.00 O ATOM 0 H ASP A 78 12.768 8.805 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 78 11.155 7.092 0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.398 8.754 1.004 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.880 9.436 1.642 1.00 0.00 H new ATOM 1241 N THR A 79 9.431 6.790 -1.092 1.00 0.00 N ATOM 1242 CA THR A 79 8.732 6.308 -2.276 1.00 0.00 C ATOM 1243 C THR A 79 7.450 7.096 -2.517 1.00 0.00 C ATOM 1244 O THR A 79 6.961 7.793 -1.627 1.00 0.00 O ATOM 1245 CB THR A 79 8.386 4.812 -2.154 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.677 4.376 -3.320 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.544 4.550 -0.915 1.00 0.00 C ATOM 0 H THR A 79 8.983 6.544 -0.209 1.00 0.00 H new ATOM 0 HA THR A 79 9.406 6.450 -3.120 1.00 0.00 H new ATOM 0 HB THR A 79 9.317 4.253 -2.065 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.095 3.562 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.312 3.487 -0.851 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.098 4.855 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.617 5.120 -0.978 1.00 0.00 H new ATOM 1255 N VAL A 80 6.908 6.982 -3.725 1.00 0.00 N ATOM 1256 CA VAL A 80 5.681 7.683 -4.083 1.00 0.00 C ATOM 1257 C VAL A 80 4.747 6.782 -4.883 1.00 0.00 C ATOM 1258 O VAL A 80 5.165 6.129 -5.839 1.00 0.00 O ATOM 1259 CB VAL A 80 5.978 8.953 -4.902 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.695 9.719 -5.185 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.984 9.832 -4.174 1.00 0.00 C ATOM 0 H VAL A 80 7.300 6.410 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 80 5.195 7.968 -3.150 1.00 0.00 H new ATOM 0 HB VAL A 80 6.413 8.656 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.925 10.613 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.011 9.086 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.228 10.007 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.183 10.725 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.579 10.122 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.912 9.279 -4.029 1.00 0.00 H new ATOM 1271 N PHE A 81 3.479 6.753 -4.486 1.00 0.00 N ATOM 1272 CA PHE A 81 2.484 5.932 -5.166 1.00 0.00 C ATOM 1273 C PHE A 81 1.339 6.791 -5.695 1.00 0.00 C ATOM 1274 O PHE A 81 0.770 7.604 -4.966 1.00 0.00 O ATOM 1275 CB PHE A 81 1.938 4.864 -4.217 1.00 0.00 C ATOM 1276 CG PHE A 81 0.654 4.243 -4.687 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.561 4.862 -4.440 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.661 3.041 -5.376 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.745 4.293 -4.871 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.519 2.467 -5.810 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.723 3.095 -5.558 1.00 0.00 C ATOM 0 H PHE A 81 3.116 7.288 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 81 2.969 5.444 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.687 4.082 -4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.779 5.309 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.583 5.800 -3.905 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.600 2.547 -5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.686 4.784 -4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.500 1.529 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.646 2.650 -5.898 1.00 0.00 H new ATOM 1291 N PHE A 82 1.007 6.606 -6.968 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.069 7.364 -7.596 1.00 0.00 C ATOM 1293 C PHE A 82 -0.882 6.478 -8.536 1.00 0.00 C ATOM 1294 O PHE A 82 -0.379 5.486 -9.063 1.00 0.00 O ATOM 1295 CB PHE A 82 0.502 8.556 -8.367 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.491 9.205 -9.288 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.741 8.675 -10.544 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.175 10.345 -8.899 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.653 9.270 -11.394 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -2.090 10.945 -9.744 1.00 0.00 C ATOM 1301 CZ PHE A 82 -2.330 10.406 -10.993 1.00 0.00 C ATOM 0 H PHE A 82 1.468 5.937 -7.585 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.729 7.731 -6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.865 9.298 -7.656 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.362 8.224 -8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.216 7.786 -10.862 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.991 10.770 -7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.837 8.848 -12.371 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.616 11.834 -9.428 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.045 10.871 -11.655 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.144 6.844 -8.740 1.00 0.00 N ATOM 1312 CA VAL A 83 -3.028 6.085 -9.616 1.00 0.00 C ATOM 1313 C VAL A 83 -3.902 7.012 -10.453 1.00 0.00 C ATOM 1314 O VAL A 83 -4.495 7.958 -9.934 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.932 5.132 -8.811 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.703 4.211 -9.745 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.108 4.329 -7.817 1.00 0.00 C ATOM 0 H VAL A 83 -2.577 7.662 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.391 5.498 -10.277 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.653 5.729 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.336 3.545 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.324 4.807 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.002 3.620 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.763 3.661 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.363 3.741 -8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.607 5.008 -7.127 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.976 6.734 -11.750 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.778 7.544 -12.660 1.00 0.00 C ATOM 1329 C ARG A 84 -6.200 7.708 -12.133 1.00 0.00 C ATOM 1330 O ARG A 84 -6.637 8.819 -11.835 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.809 6.907 -14.051 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.376 7.820 -15.126 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.856 7.445 -16.505 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.790 7.822 -17.563 1.00 0.00 N ATOM 1335 CZ ARG A 84 -5.714 7.364 -18.807 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -4.754 6.516 -19.148 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -6.602 7.753 -19.714 1.00 0.00 N ATOM 0 H ARG A 84 -3.491 5.955 -12.195 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.319 8.530 -12.729 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.797 6.616 -14.331 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.404 5.994 -14.010 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.464 7.762 -15.118 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.111 8.854 -14.904 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.897 7.934 -16.676 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.677 6.371 -16.545 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.541 8.472 -17.334 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.071 6.213 -18.454 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.699 6.166 -20.105 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.343 8.404 -19.455 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.543 7.401 -20.669 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.916 6.594 -12.020 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.289 6.616 -11.529 1.00 0.00 C ATOM 1353 C GLN A 85 -8.487 5.588 -10.419 1.00 0.00 C ATOM 1354 O GLN A 85 -8.182 4.409 -10.591 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.266 6.342 -12.674 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.114 7.298 -13.846 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.302 7.261 -14.787 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.960 6.230 -14.934 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.583 8.387 -15.431 1.00 0.00 N ATOM 0 H GLN A 85 -6.569 5.666 -12.261 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.487 7.607 -11.121 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.121 5.321 -13.028 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.285 6.406 -12.294 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.986 8.312 -13.468 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.209 7.047 -14.399 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.011 9.218 -15.279 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.371 8.422 -16.078 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.999 6.045 -9.281 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.239 5.166 -8.144 1.00 0.00 C ATOM 1370 C ALA A 86 -10.471 4.297 -8.372 1.00 0.00 C ATOM 1371 O ALA A 86 -11.603 4.758 -8.228 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.395 5.982 -6.869 1.00 0.00 C ATOM 0 H ALA A 86 -9.256 7.019 -9.122 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.377 4.508 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.574 5.312 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.485 6.555 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.238 6.665 -6.975 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.243 3.038 -8.730 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.335 2.104 -8.977 1.00 0.00 C ATOM 1380 C ALA A 87 -11.681 1.318 -7.717 1.00 0.00 C ATOM 1381 O ALA A 87 -10.794 0.901 -6.972 1.00 0.00 O ATOM 1382 CB ALA A 87 -10.973 1.156 -10.111 1.00 0.00 C ATOM 0 H ALA A 87 -9.312 2.641 -8.856 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.214 2.680 -9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.797 0.464 -10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.784 1.730 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.078 0.594 -9.844 1.00 0.00 H new ATOM 1388 N ARG A 88 -12.974 1.119 -7.485 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.436 0.384 -6.314 1.00 0.00 C ATOM 1390 C ARG A 88 -12.581 -0.858 -6.080 1.00 0.00 C ATOM 1391 O ARG A 88 -12.283 -1.212 -4.939 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.903 -0.017 -6.483 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.865 1.158 -6.435 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.265 0.716 -6.039 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.975 0.087 -7.150 1.00 0.00 N ATOM 1396 CZ ARG A 88 -19.136 -0.544 -7.017 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -19.716 -0.629 -5.827 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.721 -1.091 -8.075 1.00 0.00 N ATOM 0 H ARG A 88 -13.720 1.457 -8.093 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.343 1.037 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.022 -0.534 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.170 -0.726 -5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.501 1.899 -5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.898 1.643 -7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.202 0.016 -5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.832 1.578 -5.688 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.556 0.135 -8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -19.270 -0.209 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -20.608 -1.114 -5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.279 -1.027 -8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -20.613 -1.575 -7.971 1.00 0.00 H new ATOM 1412 N SER A 89 -12.191 -1.515 -7.167 1.00 0.00 N ATOM 1413 CA SER A 89 -11.375 -2.720 -7.080 1.00 0.00 C ATOM 1414 C SER A 89 -10.091 -2.451 -6.301 1.00 0.00 C ATOM 1415 O SER A 89 -9.704 -3.232 -5.431 1.00 0.00 O ATOM 1416 CB SER A 89 -11.037 -3.235 -8.480 1.00 0.00 C ATOM 1417 OG SER A 89 -12.206 -3.640 -9.171 1.00 0.00 O ATOM 0 H SER A 89 -12.427 -1.233 -8.118 1.00 0.00 H new ATOM 0 HA SER A 89 -11.949 -3.480 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.529 -2.454 -9.045 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.346 -4.075 -8.405 1.00 0.00 H new ATOM 0 HG SER A 89 -11.963 -3.963 -10.064 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.434 -1.341 -6.620 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.194 -0.967 -5.951 1.00 0.00 C ATOM 1425 C ASP A 90 -8.271 -1.266 -4.457 1.00 0.00 C ATOM 1426 O ASP A 90 -7.316 -1.767 -3.864 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.897 0.517 -6.172 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.457 0.814 -7.592 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -7.947 0.136 -8.520 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.623 1.724 -7.776 1.00 0.00 O ATOM 0 H ASP A 90 -9.740 -0.684 -7.338 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.386 -1.559 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.788 1.101 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.118 0.836 -5.479 1.00 0.00 H new ATOM 1435 N SER A 91 -9.414 -0.953 -3.854 1.00 0.00 N ATOM 1436 CA SER A 91 -9.615 -1.183 -2.429 1.00 0.00 C ATOM 1437 C SER A 91 -8.945 -2.482 -1.988 1.00 0.00 C ATOM 1438 O SER A 91 -9.281 -3.562 -2.471 1.00 0.00 O ATOM 1439 CB SER A 91 -11.109 -1.232 -2.103 1.00 0.00 C ATOM 1440 OG SER A 91 -11.734 -2.333 -2.739 1.00 0.00 O ATOM 0 H SER A 91 -10.215 -0.539 -4.331 1.00 0.00 H new ATOM 0 HA SER A 91 -9.159 -0.355 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.247 -1.305 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.585 -0.305 -2.423 1.00 0.00 H new ATOM 0 HG SER A 91 -11.707 -2.208 -3.711 1.00 0.00 H new ATOM 1446 N GLY A 92 -7.993 -2.366 -1.067 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.290 -3.537 -0.577 1.00 0.00 C ATOM 1448 C GLY A 92 -6.315 -3.204 0.535 1.00 0.00 C ATOM 1449 O GLY A 92 -6.534 -2.265 1.300 1.00 0.00 O ATOM 0 H GLY A 92 -7.696 -1.483 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.014 -4.267 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.751 -4.005 -1.401 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.237 -3.977 0.626 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.227 -3.759 1.655 1.00 0.00 C ATOM 1455 C GLU A 93 -2.825 -3.757 1.050 1.00 0.00 C ATOM 1456 O GLU A 93 -2.335 -4.787 0.588 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.326 -4.839 2.735 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.893 -4.364 4.112 1.00 0.00 C ATOM 1459 CD GLU A 93 -5.022 -3.712 4.886 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -5.948 -3.174 4.243 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.980 -3.739 6.133 1.00 0.00 O ATOM 0 H GLU A 93 -5.041 -4.759 0.001 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.411 -2.784 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.355 -5.193 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.711 -5.690 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.510 -5.211 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.073 -3.654 4.006 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.187 -2.592 1.057 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.844 -2.454 0.507 1.00 0.00 C ATOM 1470 C TYR A 94 0.212 -2.758 1.565 1.00 0.00 C ATOM 1471 O TYR A 94 0.290 -2.084 2.591 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.638 -1.041 -0.043 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.314 -0.806 -1.375 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.651 -1.131 -1.566 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.615 -0.257 -2.443 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.272 -0.919 -2.781 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.228 -0.040 -3.662 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.556 -0.373 -3.826 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.171 -0.158 -5.038 1.00 0.00 O ATOM 0 H TYR A 94 -2.578 -1.730 1.437 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.736 -3.173 -0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.018 -0.320 0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.430 -0.853 -0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.215 -1.557 -0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.425 0.005 -2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.312 -1.179 -2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.670 0.388 -4.482 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.896 0.712 -5.395 1.00 0.00 H new ATOM 1489 N GLU A 95 1.024 -3.779 1.305 1.00 0.00 N ATOM 1490 CA GLU A 95 2.076 -4.173 2.235 1.00 0.00 C ATOM 1491 C GLU A 95 3.431 -3.639 1.781 1.00 0.00 C ATOM 1492 O GLU A 95 3.879 -3.916 0.668 1.00 0.00 O ATOM 1493 CB GLU A 95 2.131 -5.697 2.360 1.00 0.00 C ATOM 1494 CG GLU A 95 2.936 -6.181 3.555 1.00 0.00 C ATOM 1495 CD GLU A 95 3.538 -7.555 3.335 1.00 0.00 C ATOM 1496 OE1 GLU A 95 2.769 -8.537 3.273 1.00 0.00 O ATOM 1497 OE2 GLU A 95 4.779 -7.649 3.225 1.00 0.00 O ATOM 0 H GLU A 95 0.973 -4.347 0.459 1.00 0.00 H new ATOM 0 HA GLU A 95 1.844 -3.744 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.115 -6.084 2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.563 -6.113 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.734 -5.468 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.293 -6.207 4.435 1.00 0.00 H new ATOM 1504 N LEU A 96 4.079 -2.872 2.651 1.00 0.00 N ATOM 1505 CA LEU A 96 5.384 -2.297 2.341 1.00 0.00 C ATOM 1506 C LEU A 96 6.475 -2.933 3.196 1.00 0.00 C ATOM 1507 O LEU A 96 6.478 -2.797 4.419 1.00 0.00 O ATOM 1508 CB LEU A 96 5.362 -0.784 2.563 1.00 0.00 C ATOM 1509 CG LEU A 96 6.720 -0.081 2.528 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.325 -0.158 1.135 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.582 1.368 2.973 1.00 0.00 C ATOM 0 H LEU A 96 3.722 -2.634 3.576 1.00 0.00 H new ATOM 0 HA LEU A 96 5.605 -2.500 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.723 -0.335 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.897 -0.585 3.529 1.00 0.00 H new ATOM 0 HG LEU A 96 7.390 -0.590 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.291 0.347 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.460 -1.203 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.658 0.326 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.558 1.853 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.896 1.890 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.193 1.401 3.991 1.00 0.00 H new ATOM 1523 N SER A 97 7.403 -3.626 2.543 1.00 0.00 N ATOM 1524 CA SER A 97 8.500 -4.284 3.243 1.00 0.00 C ATOM 1525 C SER A 97 9.844 -3.891 2.638 1.00 0.00 C ATOM 1526 O SER A 97 10.081 -4.084 1.445 1.00 0.00 O ATOM 1527 CB SER A 97 8.328 -5.803 3.190 1.00 0.00 C ATOM 1528 OG SER A 97 7.112 -6.200 3.799 1.00 0.00 O ATOM 0 H SER A 97 7.417 -3.746 1.530 1.00 0.00 H new ATOM 0 HA SER A 97 8.481 -3.960 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.345 -6.138 2.153 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.165 -6.285 3.695 1.00 0.00 H new ATOM 0 HG SER A 97 6.584 -6.726 3.163 1.00 0.00 H new ATOM 1534 N VAL A 98 10.722 -3.338 3.469 1.00 0.00 N ATOM 1535 CA VAL A 98 12.043 -2.919 3.018 1.00 0.00 C ATOM 1536 C VAL A 98 13.071 -4.025 3.224 1.00 0.00 C ATOM 1537 O VAL A 98 13.347 -4.426 4.354 1.00 0.00 O ATOM 1538 CB VAL A 98 12.513 -1.652 3.758 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.862 -1.193 3.227 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.476 -0.546 3.632 1.00 0.00 C ATOM 0 H VAL A 98 10.542 -3.170 4.459 1.00 0.00 H new ATOM 0 HA VAL A 98 11.959 -2.699 1.954 1.00 0.00 H new ATOM 0 HB VAL A 98 12.628 -1.891 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.178 -0.297 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.599 -1.982 3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.778 -0.970 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.824 0.341 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.326 -0.306 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.533 -0.880 4.066 1.00 0.00 H new ATOM 1550 N GLN A 99 13.634 -4.514 2.124 1.00 0.00 N ATOM 1551 CA GLN A 99 14.633 -5.576 2.184 1.00 0.00 C ATOM 1552 C GLN A 99 16.042 -4.995 2.225 1.00 0.00 C ATOM 1553 O GLN A 99 16.433 -4.225 1.347 1.00 0.00 O ATOM 1554 CB GLN A 99 14.488 -6.510 0.982 1.00 0.00 C ATOM 1555 CG GLN A 99 14.917 -7.940 1.267 1.00 0.00 C ATOM 1556 CD GLN A 99 14.506 -8.903 0.171 1.00 0.00 C ATOM 1557 OE1 GLN A 99 13.874 -8.511 -0.810 1.00 0.00 O ATOM 1558 NE2 GLN A 99 14.862 -10.172 0.333 1.00 0.00 N ATOM 0 H GLN A 99 13.416 -4.192 1.181 1.00 0.00 H new ATOM 0 HA GLN A 99 14.468 -6.145 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.448 -6.510 0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.081 -6.119 0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.000 -7.973 1.387 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.481 -8.264 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.386 -10.453 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.612 -10.866 -0.372 1.00 0.00 H new ATOM 1567 N ILE A 100 16.801 -5.369 3.250 1.00 0.00 N ATOM 1568 CA ILE A 100 18.167 -4.886 3.405 1.00 0.00 C ATOM 1569 C ILE A 100 19.171 -6.029 3.295 1.00 0.00 C ATOM 1570 O ILE A 100 18.818 -7.195 3.467 1.00 0.00 O ATOM 1571 CB ILE A 100 18.363 -4.173 4.756 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.355 -3.033 4.907 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.786 -3.649 4.877 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.646 -1.847 4.015 1.00 0.00 C ATOM 0 H ILE A 100 16.493 -6.005 3.985 1.00 0.00 H new ATOM 0 HA ILE A 100 18.342 -4.173 2.599 1.00 0.00 H new ATOM 0 HB ILE A 100 18.192 -4.892 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.357 -3.409 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.345 -2.702 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.909 -3.148 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.487 -4.481 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.983 -2.942 4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.891 -1.077 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.631 -1.445 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.627 -2.163 2.972 1.00 0.00 H new ATOM 1586 N GLU A 101 20.423 -5.685 3.010 1.00 0.00 N ATOM 1587 CA GLU A 101 21.477 -6.684 2.879 1.00 0.00 C ATOM 1588 C GLU A 101 21.236 -7.857 3.825 1.00 0.00 C ATOM 1589 O GLU A 101 21.280 -9.016 3.416 1.00 0.00 O ATOM 1590 CB GLU A 101 22.843 -6.056 3.166 1.00 0.00 C ATOM 1591 CG GLU A 101 23.446 -5.340 1.969 1.00 0.00 C ATOM 1592 CD GLU A 101 23.602 -6.246 0.764 1.00 0.00 C ATOM 1593 OE1 GLU A 101 24.195 -7.335 0.914 1.00 0.00 O ATOM 1594 OE2 GLU A 101 23.131 -5.867 -0.329 1.00 0.00 O ATOM 0 H GLU A 101 20.732 -4.724 2.866 1.00 0.00 H new ATOM 0 HA GLU A 101 21.464 -7.057 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.743 -5.349 3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.530 -6.835 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.815 -4.492 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.421 -4.937 2.245 1.00 0.00 H new ATOM 1601 N ASN A 102 20.982 -7.546 5.092 1.00 0.00 N ATOM 1602 CA ASN A 102 20.735 -8.573 6.097 1.00 0.00 C ATOM 1603 C ASN A 102 19.469 -8.266 6.890 1.00 0.00 C ATOM 1604 O ASN A 102 18.769 -9.174 7.338 1.00 0.00 O ATOM 1605 CB ASN A 102 21.930 -8.686 7.046 1.00 0.00 C ATOM 1606 CG ASN A 102 21.811 -9.868 7.988 1.00 0.00 C ATOM 1607 OD1 ASN A 102 21.587 -9.699 9.187 1.00 0.00 O ATOM 1608 ND2 ASN A 102 21.960 -11.072 7.449 1.00 0.00 N ATOM 0 H ASN A 102 20.942 -6.591 5.447 1.00 0.00 H new ATOM 0 HA ASN A 102 20.598 -9.524 5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.846 -8.781 6.463 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.016 -7.768 7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 102 21.890 -11.905 8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 102 22.145 -11.164 6.450 1.00 0.00 H new ATOM 1615 N MET A 103 19.180 -6.979 7.058 1.00 0.00 N ATOM 1616 CA MET A 103 17.997 -6.552 7.795 1.00 0.00 C ATOM 1617 C MET A 103 16.767 -6.545 6.893 1.00 0.00 C ATOM 1618 O MET A 103 16.881 -6.643 5.671 1.00 0.00 O ATOM 1619 CB MET A 103 18.216 -5.160 8.390 1.00 0.00 C ATOM 1620 CG MET A 103 19.048 -5.165 9.662 1.00 0.00 C ATOM 1621 SD MET A 103 18.184 -5.920 11.053 1.00 0.00 S ATOM 1622 CE MET A 103 17.066 -4.599 11.514 1.00 0.00 C ATOM 0 H MET A 103 19.749 -6.215 6.694 1.00 0.00 H new ATOM 0 HA MET A 103 17.828 -7.263 8.604 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.706 -4.530 7.648 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.247 -4.708 8.602 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.978 -5.704 9.481 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.318 -4.141 9.919 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.576 -4.849 12.455 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.627 -3.672 11.631 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.313 -4.471 10.736 1.00 0.00 H new ATOM 1632 N LYS A 104 15.592 -6.430 7.502 1.00 0.00 N ATOM 1633 CA LYS A 104 14.341 -6.409 6.754 1.00 0.00 C ATOM 1634 C LYS A 104 13.221 -5.790 7.584 1.00 0.00 C ATOM 1635 O LYS A 104 13.141 -6.004 8.794 1.00 0.00 O ATOM 1636 CB LYS A 104 13.952 -7.828 6.332 1.00 0.00 C ATOM 1637 CG LYS A 104 12.898 -7.870 5.239 1.00 0.00 C ATOM 1638 CD LYS A 104 12.132 -9.182 5.253 1.00 0.00 C ATOM 1639 CE LYS A 104 10.899 -9.099 6.139 1.00 0.00 C ATOM 1640 NZ LYS A 104 9.707 -8.618 5.386 1.00 0.00 N ATOM 0 H LYS A 104 15.480 -6.350 8.513 1.00 0.00 H new ATOM 0 HA LYS A 104 14.489 -5.799 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.843 -8.352 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.582 -8.369 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.203 -7.041 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.374 -7.736 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.834 -9.441 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.783 -9.981 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.689 -10.081 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.096 -8.427 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.843 -8.988 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.685 -7.578 5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.760 -8.952 4.402 1.00 0.00 H new ATOM 1654 N ASP A 105 12.359 -5.023 6.927 1.00 0.00 N ATOM 1655 CA ASP A 105 11.242 -4.374 7.604 1.00 0.00 C ATOM 1656 C ASP A 105 9.929 -4.658 6.881 1.00 0.00 C ATOM 1657 O ASP A 105 9.923 -5.073 5.721 1.00 0.00 O ATOM 1658 CB ASP A 105 11.476 -2.865 7.689 1.00 0.00 C ATOM 1659 CG ASP A 105 10.791 -2.239 8.888 1.00 0.00 C ATOM 1660 OD1 ASP A 105 9.818 -2.837 9.394 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.228 -1.152 9.320 1.00 0.00 O ATOM 0 H ASP A 105 12.412 -4.835 5.926 1.00 0.00 H new ATOM 0 HA ASP A 105 11.175 -4.781 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.547 -2.669 7.743 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.111 -2.392 6.778 1.00 0.00 H new ATOM 1666 N THR A 106 8.817 -4.432 7.573 1.00 0.00 N ATOM 1667 CA THR A 106 7.498 -4.665 6.998 1.00 0.00 C ATOM 1668 C THR A 106 6.528 -3.552 7.378 1.00 0.00 C ATOM 1669 O THR A 106 6.802 -2.757 8.276 1.00 0.00 O ATOM 1670 CB THR A 106 6.916 -6.016 7.456 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.781 -6.034 8.881 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.807 -7.167 7.011 1.00 0.00 C ATOM 0 H THR A 106 8.804 -4.088 8.533 1.00 0.00 H new ATOM 0 HA THR A 106 7.624 -4.680 5.915 1.00 0.00 H new ATOM 0 HB THR A 106 5.935 -6.138 6.998 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.409 -6.895 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.376 -8.111 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.884 -7.168 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.800 -7.047 7.445 1.00 0.00 H new ATOM 1680 N ALA A 107 5.393 -3.502 6.689 1.00 0.00 N ATOM 1681 CA ALA A 107 4.380 -2.488 6.957 1.00 0.00 C ATOM 1682 C ALA A 107 3.059 -2.839 6.280 1.00 0.00 C ATOM 1683 O ALA A 107 3.029 -3.592 5.306 1.00 0.00 O ATOM 1684 CB ALA A 107 4.866 -1.123 6.493 1.00 0.00 C ATOM 0 H ALA A 107 5.152 -4.152 5.941 1.00 0.00 H new ATOM 0 HA ALA A 107 4.209 -2.455 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 107 4.100 -0.375 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.781 -0.862 7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.066 -1.153 5.422 1.00 0.00 H new ATOM 1690 N THR A 108 1.968 -2.290 6.804 1.00 0.00 N ATOM 1691 CA THR A 108 0.643 -2.547 6.252 1.00 0.00 C ATOM 1692 C THR A 108 -0.118 -1.246 6.022 1.00 0.00 C ATOM 1693 O THR A 108 -0.028 -0.314 6.821 1.00 0.00 O ATOM 1694 CB THR A 108 -0.185 -3.456 7.180 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.520 -4.677 7.426 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.542 -3.763 6.565 1.00 0.00 C ATOM 0 H THR A 108 1.975 -1.665 7.610 1.00 0.00 H new ATOM 0 HA THR A 108 0.790 -3.052 5.297 1.00 0.00 H new ATOM 0 HB THR A 108 -0.341 -2.931 8.123 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.012 -5.248 8.018 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.109 -4.406 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.088 -2.833 6.406 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.402 -4.270 5.610 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.867 -1.191 4.926 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.645 -0.005 4.592 1.00 0.00 C ATOM 1706 C ILE A 109 -3.066 -0.376 4.183 1.00 0.00 C ATOM 1707 O ILE A 109 -3.274 -1.284 3.377 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.988 0.798 3.454 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.396 1.290 3.881 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.873 1.969 3.053 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.220 1.841 2.738 1.00 0.00 C ATOM 0 H ILE A 109 -0.951 -1.954 4.254 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.678 0.613 5.489 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.869 0.145 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.280 2.063 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.938 0.466 4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.395 2.527 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.839 1.595 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.020 2.625 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.188 2.171 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.367 1.064 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.699 2.686 2.288 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.042 0.332 4.742 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.444 0.077 4.435 1.00 0.00 C ATOM 1725 C ARG A 110 -5.992 1.132 3.478 1.00 0.00 C ATOM 1726 O ARG A 110 -6.032 2.319 3.805 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.275 0.057 5.719 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.988 -1.140 6.611 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.378 -0.864 8.055 1.00 0.00 C ATOM 1730 NE ARG A 110 -7.785 -1.163 8.308 1.00 0.00 N ATOM 1731 CZ ARG A 110 -8.329 -1.166 9.520 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -7.587 -0.888 10.584 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -9.617 -1.447 9.670 1.00 0.00 N ATOM 0 H ARG A 110 -3.887 1.087 5.410 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.512 -0.898 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.084 0.972 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.333 0.059 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.536 -2.008 6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.928 -1.387 6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.755 -1.462 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.182 0.182 8.290 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.383 -1.381 7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.597 -0.671 10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.007 -0.891 11.514 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.191 -1.661 8.854 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.033 -1.449 10.601 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.411 0.693 2.297 1.00 0.00 N ATOM 1748 CA ILE A 111 -6.956 1.599 1.294 1.00 0.00 C ATOM 1749 C ILE A 111 -8.403 1.248 0.965 1.00 0.00 C ATOM 1750 O ILE A 111 -8.700 0.133 0.535 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.125 1.571 -0.002 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.712 2.097 0.261 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.808 2.390 -1.087 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -3.842 2.133 -0.976 1.00 0.00 C ATOM 0 H ILE A 111 -6.384 -0.286 2.011 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.915 2.602 1.719 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.050 0.539 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.779 3.102 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.234 1.470 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.208 2.361 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.795 1.975 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.910 3.423 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.855 2.516 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.745 1.126 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.298 2.783 -1.723 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.300 2.208 1.167 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.716 2.001 0.890 1.00 0.00 C ATOM 1768 C ARG A 112 -11.205 2.958 -0.193 1.00 0.00 C ATOM 1769 O ARG A 112 -10.948 4.161 -0.135 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.540 2.193 2.165 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.038 2.262 1.918 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.811 2.406 3.219 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.172 1.887 3.108 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.458 0.596 2.980 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -14.483 -0.302 2.948 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -16.721 0.201 2.884 1.00 0.00 N ATOM 0 H ARG A 112 -9.071 3.137 1.521 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.844 0.979 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.331 1.371 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.219 3.110 2.660 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.262 3.106 1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.364 1.361 1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.285 1.877 4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.846 3.457 3.505 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.945 2.552 3.130 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -13.511 -0.002 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.705 -1.293 2.850 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.474 0.889 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -16.939 -0.791 2.786 1.00 0.00 H new ATOM 1790 N VAL A 113 -11.909 2.416 -1.181 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.434 3.222 -2.277 1.00 0.00 C ATOM 1792 C VAL A 113 -13.950 3.358 -2.182 1.00 0.00 C ATOM 1793 O VAL A 113 -14.662 2.371 -1.992 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.069 2.615 -3.644 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.640 3.459 -4.773 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.559 2.480 -3.780 1.00 0.00 C ATOM 0 H VAL A 113 -12.129 1.422 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.978 4.208 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.508 1.619 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.372 3.014 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.726 3.500 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.233 4.468 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.318 2.049 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.097 3.463 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.179 1.830 -2.991 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.438 4.587 -2.318 1.00 0.00 N ATOM 1807 CA VAL A 114 -15.870 4.852 -2.249 1.00 0.00 C ATOM 1808 C VAL A 114 -16.397 5.374 -3.582 1.00 0.00 C ATOM 1809 O VAL A 114 -15.637 5.891 -4.400 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.199 5.874 -1.144 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.619 5.425 0.188 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.682 7.253 -1.523 1.00 0.00 C ATOM 0 H VAL A 114 -13.863 5.414 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.356 3.905 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.282 5.934 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -15.861 6.159 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.043 4.459 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.536 5.335 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.923 7.962 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.601 7.212 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.151 7.574 -2.453 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.702 5.233 -3.792 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.330 5.690 -5.026 1.00 0.00 C ATOM 1824 C GLU A 115 -18.548 7.201 -4.998 1.00 0.00 C ATOM 1825 O GLU A 115 -19.179 7.732 -4.085 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.665 4.975 -5.240 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.517 3.522 -5.658 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.778 2.965 -6.290 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.692 2.567 -5.538 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -20.850 2.926 -7.536 1.00 0.00 O ATOM 0 H GLU A 115 -18.344 4.806 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.662 5.452 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.244 5.022 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.235 5.507 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.692 3.433 -6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.256 2.922 -4.786 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.020 7.887 -6.006 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.156 9.336 -6.100 1.00 0.00 C ATOM 1839 C LYS A 116 -19.590 9.767 -5.811 1.00 0.00 C ATOM 1840 O LYS A 116 -19.827 10.853 -5.282 1.00 0.00 O ATOM 1841 CB LYS A 116 -17.737 9.819 -7.490 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.756 9.511 -8.574 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.570 8.111 -9.133 1.00 0.00 C ATOM 1844 CE LYS A 116 -19.573 7.814 -10.238 1.00 0.00 C ATOM 1845 NZ LYS A 116 -20.881 7.359 -9.691 1.00 0.00 N ATOM 0 H LYS A 116 -17.494 7.463 -6.770 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.502 9.787 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.569 10.895 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.786 9.356 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -19.762 9.611 -8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.664 10.240 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.557 8.005 -9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -18.683 7.380 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.723 8.709 -10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.169 7.047 -10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.537 7.167 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.742 6.491 -9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.279 8.101 -9.080 1.00 0.00 H new