USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 678 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 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 TYR OH : rot -22:sc= 1.24 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 28 ASN : amide:sc= 0.362 K(o=0.36,f=-2.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 18:sc= -0.053 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -135:sc= -0.399 (180deg=-1.02) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 57 THR OG1 : rot -69:sc= 0.531 USER MOD Single : A 64 HIS : no HD1:sc= -0.0331 K(o=-0.033,f=-0.53) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 68 GLN : amide:sc= -0.0887 K(o=-0.089,f=-1!) USER MOD Single : A 73 CYS SG : rot 160:sc= -0.015 USER MOD Single : A 76 GLN : amide:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 90 CYS SG : rot 95:sc= 0.078 USER MOD Single : A 91 MET CE :methyl 175:sc= -0.782 (180deg=-0.834) USER MOD Single : A 92 CYS SG : rot -53:sc= -0.704 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 170:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 175:sc= -0.309 (180deg=-0.36) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -3.141 17.628 -3.838 1.00 0.00 N ATOM 259 CA ILE A 20 -2.109 16.674 -4.223 1.00 0.00 C ATOM 260 C ILE A 20 -2.684 15.563 -5.095 1.00 0.00 C ATOM 261 O ILE A 20 -3.723 14.984 -4.778 1.00 0.00 O ATOM 262 CB ILE A 20 -1.436 16.044 -2.988 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.907 17.136 -2.057 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.311 15.114 -3.416 1.00 0.00 C ATOM 265 CD1 ILE A 20 -0.299 16.599 -0.780 1.00 0.00 C ATOM 0 HA ILE A 20 -1.363 17.229 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.178 15.459 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.158 17.723 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.723 17.814 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.155 14.676 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.714 14.320 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.434 15.678 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.055 17.429 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.051 16.036 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.538 15.944 -1.023 1.00 0.00 H new ATOM 277 N LYS A 21 -2.001 15.270 -6.196 1.00 0.00 N ATOM 278 CA LYS A 21 -2.440 14.227 -7.115 1.00 0.00 C ATOM 279 C LYS A 21 -1.365 13.158 -7.280 1.00 0.00 C ATOM 280 O LYS A 21 -0.343 13.180 -6.593 1.00 0.00 O ATOM 281 CB LYS A 21 -2.786 14.831 -8.478 1.00 0.00 C ATOM 282 CG LYS A 21 -1.601 15.473 -9.177 1.00 0.00 C ATOM 283 CD LYS A 21 -1.946 15.880 -10.600 1.00 0.00 C ATOM 284 CE LYS A 21 -2.937 17.033 -10.625 1.00 0.00 C ATOM 285 NZ LYS A 21 -2.585 18.045 -11.660 1.00 0.00 N ATOM 0 H LYS A 21 -1.140 15.741 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.331 13.760 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.196 14.050 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.568 15.579 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.277 16.349 -8.615 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.764 14.775 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.037 16.169 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.366 15.026 -11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.938 16.647 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.964 17.510 -9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.284 18.815 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.640 18.432 -11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.584 17.596 -12.598 1.00 0.00 H new ATOM 299 N PHE A 22 -1.601 12.223 -8.195 1.00 0.00 N ATOM 300 CA PHE A 22 -0.651 11.146 -8.450 1.00 0.00 C ATOM 301 C PHE A 22 0.069 11.359 -9.778 1.00 0.00 C ATOM 302 O PHE A 22 -0.563 11.486 -10.827 1.00 0.00 O ATOM 303 CB PHE A 22 -1.370 9.795 -8.457 1.00 0.00 C ATOM 304 CG PHE A 22 -1.383 9.116 -7.117 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.298 9.487 -6.146 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.479 8.105 -6.830 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.311 8.863 -4.912 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.487 7.478 -5.598 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.405 7.857 -4.639 1.00 0.00 C ATOM 0 H PHE A 22 -2.442 12.189 -8.772 1.00 0.00 H new ATOM 0 HA PHE A 22 0.090 11.151 -7.651 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.397 9.941 -8.792 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.888 9.140 -9.183 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.009 10.272 -6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.240 7.804 -7.578 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.029 9.162 -4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.224 6.693 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.415 7.367 -3.676 1.00 0.00 H new ATOM 319 N THR A 23 1.396 11.396 -9.725 1.00 0.00 N ATOM 320 CA THR A 23 2.204 11.595 -10.922 1.00 0.00 C ATOM 321 C THR A 23 2.446 10.277 -11.647 1.00 0.00 C ATOM 322 O THR A 23 2.474 10.230 -12.877 1.00 0.00 O ATOM 323 CB THR A 23 3.562 12.239 -10.584 1.00 0.00 C ATOM 324 OG1 THR A 23 4.411 11.282 -9.941 1.00 0.00 O ATOM 325 CG2 THR A 23 3.377 13.448 -9.679 1.00 0.00 C ATOM 0 H THR A 23 1.935 11.291 -8.865 1.00 0.00 H new ATOM 0 HA THR A 23 1.644 12.267 -11.572 1.00 0.00 H new ATOM 0 HB THR A 23 4.025 12.568 -11.514 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.273 11.698 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.349 13.886 -9.454 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.754 14.187 -10.182 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.895 13.138 -8.752 1.00 0.00 H new ATOM 333 N GLU A 24 2.620 9.206 -10.878 1.00 0.00 N ATOM 334 CA GLU A 24 2.860 7.887 -11.449 1.00 0.00 C ATOM 335 C GLU A 24 2.130 6.808 -10.653 1.00 0.00 C ATOM 336 O GLU A 24 2.739 6.078 -9.873 1.00 0.00 O ATOM 337 CB GLU A 24 4.360 7.585 -11.481 1.00 0.00 C ATOM 338 CG GLU A 24 5.067 8.146 -12.703 1.00 0.00 C ATOM 339 CD GLU A 24 6.478 7.611 -12.857 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.667 6.386 -12.705 1.00 0.00 O ATOM 341 OE2 GLU A 24 7.392 8.417 -13.130 1.00 0.00 O ATOM 0 H GLU A 24 2.599 9.227 -9.858 1.00 0.00 H new ATOM 0 HA GLU A 24 2.475 7.886 -12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.824 7.994 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.506 6.505 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.491 7.902 -13.595 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.100 9.233 -12.632 1.00 0.00 H new ATOM 348 N GLY A 25 0.819 6.716 -10.856 1.00 0.00 N ATOM 349 CA GLY A 25 0.027 5.725 -10.151 1.00 0.00 C ATOM 350 C GLY A 25 0.575 4.322 -10.313 1.00 0.00 C ATOM 351 O GLY A 25 1.389 4.064 -11.201 1.00 0.00 O ATOM 0 H GLY A 25 0.292 7.310 -11.496 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.007 5.978 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.999 5.756 -10.519 1.00 0.00 H new ATOM 355 N LEU A 26 0.131 3.412 -9.453 1.00 0.00 N ATOM 356 CA LEU A 26 0.584 2.026 -9.504 1.00 0.00 C ATOM 357 C LEU A 26 0.254 1.394 -10.853 1.00 0.00 C ATOM 358 O LEU A 26 -0.675 1.821 -11.538 1.00 0.00 O ATOM 359 CB LEU A 26 -0.061 1.216 -8.378 1.00 0.00 C ATOM 360 CG LEU A 26 0.319 1.625 -6.954 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.742 1.167 -5.966 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.680 1.055 -6.582 1.00 0.00 C ATOM 0 H LEU A 26 -0.542 3.609 -8.712 1.00 0.00 H new ATOM 0 HA LEU A 26 1.666 2.019 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.144 1.289 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.202 0.167 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 26 0.379 2.713 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.454 1.467 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.698 1.623 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.835 0.082 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.935 1.356 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.647 -0.033 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.434 1.433 -7.272 1.00 0.00 H new ATOM 374 N ARG A 27 1.021 0.375 -11.226 1.00 0.00 N ATOM 375 CA ARG A 27 0.810 -0.316 -12.493 1.00 0.00 C ATOM 376 C ARG A 27 0.697 -1.822 -12.278 1.00 0.00 C ATOM 377 O ARG A 27 1.311 -2.377 -11.367 1.00 0.00 O ATOM 378 CB ARG A 27 1.955 -0.013 -13.461 1.00 0.00 C ATOM 379 CG ARG A 27 2.052 1.454 -13.849 1.00 0.00 C ATOM 380 CD ARG A 27 3.365 1.757 -14.554 1.00 0.00 C ATOM 381 NE ARG A 27 3.648 3.190 -14.591 1.00 0.00 N ATOM 382 CZ ARG A 27 4.659 3.722 -15.269 1.00 0.00 C ATOM 383 NH1 ARG A 27 5.478 2.944 -15.963 1.00 0.00 N ATOM 384 NH2 ARG A 27 4.851 5.035 -15.254 1.00 0.00 N ATOM 0 H ARG A 27 1.794 0.010 -10.670 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.125 0.044 -12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.896 -0.323 -13.006 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.825 -0.611 -14.363 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.219 1.715 -14.501 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.965 2.074 -12.957 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.178 1.240 -14.044 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.328 1.368 -15.572 1.00 0.00 H new ATOM 0 HE ARG A 27 3.036 3.816 -14.068 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.333 1.935 -15.977 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.253 3.355 -16.483 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.222 5.636 -14.722 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.627 5.443 -15.775 1.00 0.00 H new ATOM 398 N ASN A 28 -0.094 -2.477 -13.122 1.00 0.00 N ATOM 399 CA ASN A 28 -0.288 -3.919 -13.024 1.00 0.00 C ATOM 400 C ASN A 28 1.050 -4.652 -13.045 1.00 0.00 C ATOM 401 O ASN A 28 1.776 -4.608 -14.038 1.00 0.00 O ATOM 402 CB ASN A 28 -1.172 -4.415 -14.170 1.00 0.00 C ATOM 403 CG ASN A 28 -0.758 -3.839 -15.510 1.00 0.00 C ATOM 404 OD1 ASN A 28 -0.945 -2.650 -15.771 1.00 0.00 O ATOM 405 ND2 ASN A 28 -0.193 -4.681 -16.367 1.00 0.00 N ATOM 0 H ASN A 28 -0.611 -2.032 -13.881 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.782 -4.130 -12.075 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.127 -5.503 -14.216 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.209 -4.148 -13.967 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.106 -4.351 -17.285 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.058 -5.658 -16.108 1.00 0.00 H new ATOM 412 N GLU A 29 1.368 -5.324 -11.944 1.00 0.00 N ATOM 413 CA GLU A 29 2.619 -6.066 -11.837 1.00 0.00 C ATOM 414 C GLU A 29 2.357 -7.567 -11.766 1.00 0.00 C ATOM 415 O GLU A 29 1.235 -8.000 -11.508 1.00 0.00 O ATOM 416 CB GLU A 29 3.402 -5.615 -10.602 1.00 0.00 C ATOM 417 CG GLU A 29 4.821 -5.168 -10.910 1.00 0.00 C ATOM 418 CD GLU A 29 5.019 -3.678 -10.712 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.263 -3.259 -9.561 1.00 0.00 O ATOM 420 OE2 GLU A 29 4.931 -2.930 -11.709 1.00 0.00 O ATOM 0 H GLU A 29 0.777 -5.370 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 29 3.211 -5.860 -12.729 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.868 -4.794 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.436 -6.435 -9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.516 -5.711 -10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.065 -5.430 -11.940 1.00 0.00 H new ATOM 427 N GLU A 30 3.402 -8.356 -11.998 1.00 0.00 N ATOM 428 CA GLU A 30 3.284 -9.809 -11.961 1.00 0.00 C ATOM 429 C GLU A 30 4.580 -10.448 -11.470 1.00 0.00 C ATOM 430 O GLU A 30 5.674 -10.027 -11.847 1.00 0.00 O ATOM 431 CB GLU A 30 2.931 -10.349 -13.349 1.00 0.00 C ATOM 432 CG GLU A 30 2.915 -11.867 -13.425 1.00 0.00 C ATOM 433 CD GLU A 30 4.104 -12.425 -14.183 1.00 0.00 C ATOM 434 OE1 GLU A 30 5.171 -11.777 -14.175 1.00 0.00 O ATOM 435 OE2 GLU A 30 3.966 -13.512 -14.783 1.00 0.00 O ATOM 0 H GLU A 30 4.338 -8.014 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 30 2.486 -10.066 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.952 -9.969 -13.639 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.650 -9.965 -14.073 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.907 -12.278 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.994 -12.193 -13.909 1.00 0.00 H new ATOM 442 N ALA A 31 4.448 -11.466 -10.626 1.00 0.00 N ATOM 443 CA ALA A 31 5.607 -12.164 -10.084 1.00 0.00 C ATOM 444 C ALA A 31 5.378 -13.671 -10.058 1.00 0.00 C ATOM 445 O ALA A 31 4.269 -14.146 -10.309 1.00 0.00 O ATOM 446 CB ALA A 31 5.925 -11.653 -8.686 1.00 0.00 C ATOM 0 H ALA A 31 3.550 -11.826 -10.303 1.00 0.00 H new ATOM 0 HA ALA A 31 6.458 -11.963 -10.735 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.793 -12.183 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.141 -10.585 -8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.069 -11.824 -8.033 1.00 0.00 H new ATOM 452 N THR A 32 6.433 -14.421 -9.753 1.00 0.00 N ATOM 453 CA THR A 32 6.347 -15.875 -9.697 1.00 0.00 C ATOM 454 C THR A 32 6.325 -16.368 -8.255 1.00 0.00 C ATOM 455 O THR A 32 6.856 -15.714 -7.358 1.00 0.00 O ATOM 456 CB THR A 32 7.525 -16.536 -10.436 1.00 0.00 C ATOM 457 OG1 THR A 32 7.715 -15.913 -11.711 1.00 0.00 O ATOM 458 CG2 THR A 32 7.277 -18.025 -10.626 1.00 0.00 C ATOM 0 H THR A 32 7.357 -14.045 -9.541 1.00 0.00 H new ATOM 0 HA THR A 32 5.416 -16.156 -10.189 1.00 0.00 H new ATOM 0 HB THR A 32 8.423 -16.407 -9.832 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.467 -16.338 -12.174 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.122 -18.471 -11.150 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.161 -18.502 -9.653 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.369 -18.171 -11.211 1.00 0.00 H new ATOM 466 N GLU A 33 5.708 -17.526 -8.040 1.00 0.00 N ATOM 467 CA GLU A 33 5.618 -18.107 -6.705 1.00 0.00 C ATOM 468 C GLU A 33 7.005 -18.289 -6.096 1.00 0.00 C ATOM 469 O GLU A 33 7.902 -18.850 -6.725 1.00 0.00 O ATOM 470 CB GLU A 33 4.891 -19.452 -6.758 1.00 0.00 C ATOM 471 CG GLU A 33 3.629 -19.496 -5.912 1.00 0.00 C ATOM 472 CD GLU A 33 3.117 -20.907 -5.702 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.879 -21.861 -5.963 1.00 0.00 O ATOM 474 OE2 GLU A 33 1.953 -21.057 -5.275 1.00 0.00 O ATOM 0 H GLU A 33 5.264 -18.080 -8.772 1.00 0.00 H new ATOM 0 HA GLU A 33 5.051 -17.421 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.632 -19.675 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.570 -20.236 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.829 -19.038 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.853 -18.900 -6.392 1.00 0.00 H new ATOM 481 N GLY A 34 7.174 -17.810 -4.867 1.00 0.00 N ATOM 482 CA GLY A 34 8.454 -17.929 -4.194 1.00 0.00 C ATOM 483 C GLY A 34 9.315 -16.693 -4.364 1.00 0.00 C ATOM 484 O GLY A 34 10.175 -16.409 -3.531 1.00 0.00 O ATOM 0 H GLY A 34 6.447 -17.342 -4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.287 -18.109 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.987 -18.796 -4.584 1.00 0.00 H new ATOM 488 N ALA A 35 9.086 -15.958 -5.447 1.00 0.00 N ATOM 489 CA ALA A 35 9.847 -14.746 -5.723 1.00 0.00 C ATOM 490 C ALA A 35 9.432 -13.613 -4.792 1.00 0.00 C ATOM 491 O ALA A 35 8.680 -13.821 -3.839 1.00 0.00 O ATOM 492 CB ALA A 35 9.669 -14.331 -7.176 1.00 0.00 C ATOM 0 H ALA A 35 8.379 -16.181 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 35 10.901 -14.959 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.243 -13.424 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.023 -15.129 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.614 -14.141 -7.374 1.00 0.00 H new ATOM 498 N THR A 36 9.927 -12.411 -5.072 1.00 0.00 N ATOM 499 CA THR A 36 9.609 -11.244 -4.259 1.00 0.00 C ATOM 500 C THR A 36 8.985 -10.139 -5.103 1.00 0.00 C ATOM 501 O THR A 36 9.635 -9.575 -5.982 1.00 0.00 O ATOM 502 CB THR A 36 10.862 -10.692 -3.555 1.00 0.00 C ATOM 503 OG1 THR A 36 11.470 -11.717 -2.761 1.00 0.00 O ATOM 504 CG2 THR A 36 10.508 -9.503 -2.673 1.00 0.00 C ATOM 0 H THR A 36 10.550 -12.221 -5.857 1.00 0.00 H new ATOM 0 HA THR A 36 8.892 -11.570 -3.505 1.00 0.00 H new ATOM 0 HB THR A 36 11.565 -10.361 -4.320 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.267 -11.358 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.409 -9.130 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.073 -8.713 -3.285 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.788 -9.813 -1.916 1.00 0.00 H new ATOM 512 N ALA A 37 7.721 -9.833 -4.829 1.00 0.00 N ATOM 513 CA ALA A 37 7.010 -8.793 -5.562 1.00 0.00 C ATOM 514 C ALA A 37 7.066 -7.462 -4.819 1.00 0.00 C ATOM 515 O ALA A 37 6.777 -7.394 -3.624 1.00 0.00 O ATOM 516 CB ALA A 37 5.565 -9.207 -5.799 1.00 0.00 C ATOM 0 H ALA A 37 7.168 -10.291 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 37 7.501 -8.662 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.046 -8.421 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.541 -10.130 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.071 -9.368 -4.841 1.00 0.00 H new ATOM 522 N VAL A 38 7.440 -6.406 -5.534 1.00 0.00 N ATOM 523 CA VAL A 38 7.534 -5.077 -4.942 1.00 0.00 C ATOM 524 C VAL A 38 6.931 -4.022 -5.863 1.00 0.00 C ATOM 525 O VAL A 38 7.331 -3.890 -7.020 1.00 0.00 O ATOM 526 CB VAL A 38 8.996 -4.700 -4.635 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.847 -4.798 -5.892 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.071 -3.304 -4.037 1.00 0.00 C ATOM 0 H VAL A 38 7.683 -6.445 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 38 6.971 -5.106 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 38 9.390 -5.405 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.876 -4.528 -5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.817 -5.819 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.458 -4.117 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.111 -3.054 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.660 -2.583 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.496 -3.273 -3.112 1.00 0.00 H new ATOM 538 N LEU A 39 5.967 -3.271 -5.341 1.00 0.00 N ATOM 539 CA LEU A 39 5.308 -2.225 -6.116 1.00 0.00 C ATOM 540 C LEU A 39 5.915 -0.859 -5.813 1.00 0.00 C ATOM 541 O LEU A 39 6.278 -0.569 -4.674 1.00 0.00 O ATOM 542 CB LEU A 39 3.808 -2.208 -5.815 1.00 0.00 C ATOM 543 CG LEU A 39 3.024 -3.449 -6.244 1.00 0.00 C ATOM 544 CD1 LEU A 39 1.930 -3.763 -5.235 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.432 -3.253 -7.632 1.00 0.00 C ATOM 0 H LEU A 39 5.625 -3.367 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 39 5.457 -2.442 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.674 -2.071 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.369 -1.338 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 39 3.711 -4.295 -6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.382 -4.649 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.378 -3.947 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.245 -2.918 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.878 -4.146 -7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.759 -2.395 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.235 -3.077 -8.348 1.00 0.00 H new ATOM 557 N ARG A 40 6.018 -0.022 -6.841 1.00 0.00 N ATOM 558 CA ARG A 40 6.579 1.314 -6.684 1.00 0.00 C ATOM 559 C ARG A 40 5.686 2.360 -7.345 1.00 0.00 C ATOM 560 O ARG A 40 5.111 2.117 -8.407 1.00 0.00 O ATOM 561 CB ARG A 40 7.984 1.374 -7.286 1.00 0.00 C ATOM 562 CG ARG A 40 8.871 0.207 -6.882 1.00 0.00 C ATOM 563 CD ARG A 40 10.327 0.466 -7.235 1.00 0.00 C ATOM 564 NE ARG A 40 10.606 0.193 -8.642 1.00 0.00 N ATOM 565 CZ ARG A 40 11.830 0.174 -9.159 1.00 0.00 C ATOM 566 NH1 ARG A 40 12.882 0.411 -8.387 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.003 -0.082 -10.449 1.00 0.00 N ATOM 0 H ARG A 40 5.720 -0.246 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 40 6.638 1.533 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.904 1.399 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.461 2.305 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.781 0.034 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.530 -0.700 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.575 1.503 -7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.968 -0.157 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 40 9.818 0.007 -9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.752 0.608 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.821 0.396 -8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.196 -0.265 -11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.943 -0.096 -10.845 1.00 0.00 H new ATOM 581 N CYS A 41 5.574 3.521 -6.711 1.00 0.00 N ATOM 582 CA CYS A 41 4.750 4.604 -7.236 1.00 0.00 C ATOM 583 C CYS A 41 5.264 5.959 -6.762 1.00 0.00 C ATOM 584 O CYS A 41 5.868 6.065 -5.695 1.00 0.00 O ATOM 585 CB CYS A 41 3.294 4.418 -6.807 1.00 0.00 C ATOM 586 SG CYS A 41 3.003 4.697 -5.044 1.00 0.00 S ATOM 0 H CYS A 41 6.044 3.737 -5.832 1.00 0.00 H new ATOM 0 HA CYS A 41 4.807 4.576 -8.324 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.667 5.101 -7.380 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.978 3.406 -7.061 1.00 0.00 H new ATOM 0 HG CYS A 41 3.994 5.372 -4.542 1.00 0.00 H new ATOM 592 N GLU A 42 5.022 6.992 -7.563 1.00 0.00 N ATOM 593 CA GLU A 42 5.464 8.340 -7.224 1.00 0.00 C ATOM 594 C GLU A 42 4.270 9.257 -6.975 1.00 0.00 C ATOM 595 O GLU A 42 3.166 9.003 -7.458 1.00 0.00 O ATOM 596 CB GLU A 42 6.334 8.911 -8.345 1.00 0.00 C ATOM 597 CG GLU A 42 7.292 9.996 -7.880 1.00 0.00 C ATOM 598 CD GLU A 42 7.969 10.710 -9.033 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.277 10.044 -10.044 1.00 0.00 O ATOM 600 OE2 GLU A 42 8.192 11.934 -8.925 1.00 0.00 O ATOM 0 H GLU A 42 4.523 6.922 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 42 6.053 8.283 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.907 8.101 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.688 9.317 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.747 10.723 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.051 9.553 -7.236 1.00 0.00 H new ATOM 607 N LEU A 43 4.499 10.323 -6.217 1.00 0.00 N ATOM 608 CA LEU A 43 3.443 11.279 -5.901 1.00 0.00 C ATOM 609 C LEU A 43 3.850 12.693 -6.305 1.00 0.00 C ATOM 610 O LEU A 43 5.009 12.946 -6.634 1.00 0.00 O ATOM 611 CB LEU A 43 3.119 11.236 -4.407 1.00 0.00 C ATOM 612 CG LEU A 43 2.154 10.138 -3.961 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.347 9.824 -2.486 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.714 10.549 -4.236 1.00 0.00 C ATOM 0 H LEU A 43 5.407 10.548 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 43 2.554 11.001 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.052 11.117 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.699 12.200 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 43 2.370 9.237 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.651 9.040 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.369 9.486 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.159 10.721 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.041 9.755 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.486 11.464 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.583 10.723 -5.304 1.00 0.00 H new ATOM 626 N SER A 44 2.890 13.611 -6.275 1.00 0.00 N ATOM 627 CA SER A 44 3.147 14.999 -6.639 1.00 0.00 C ATOM 628 C SER A 44 3.834 15.742 -5.496 1.00 0.00 C ATOM 629 O SER A 44 4.690 16.597 -5.722 1.00 0.00 O ATOM 630 CB SER A 44 1.840 15.703 -7.007 1.00 0.00 C ATOM 631 OG SER A 44 1.738 15.889 -8.408 1.00 0.00 O ATOM 0 H SER A 44 1.926 13.418 -6.002 1.00 0.00 H new ATOM 0 HA SER A 44 3.810 15.005 -7.504 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.994 15.114 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.789 16.669 -6.504 1.00 0.00 H new ATOM 0 HG SER A 44 0.893 16.339 -8.618 1.00 0.00 H new ATOM 637 N LYS A 45 3.451 15.409 -4.268 1.00 0.00 N ATOM 638 CA LYS A 45 4.029 16.042 -3.089 1.00 0.00 C ATOM 639 C LYS A 45 4.050 15.075 -1.908 1.00 0.00 C ATOM 640 O LYS A 45 3.128 14.280 -1.729 1.00 0.00 O ATOM 641 CB LYS A 45 3.236 17.298 -2.719 1.00 0.00 C ATOM 642 CG LYS A 45 3.653 17.911 -1.393 1.00 0.00 C ATOM 643 CD LYS A 45 2.921 19.216 -1.128 1.00 0.00 C ATOM 644 CE LYS A 45 2.611 19.391 0.351 1.00 0.00 C ATOM 645 NZ LYS A 45 1.927 20.685 0.625 1.00 0.00 N ATOM 0 H LYS A 45 2.743 14.704 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 45 5.055 16.324 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.358 18.040 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.176 17.049 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.449 17.208 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.728 18.090 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.528 20.052 -1.475 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.993 19.237 -1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.981 18.568 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.537 19.341 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.733 20.766 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.538 21.471 0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.031 20.723 0.098 1.00 0.00 H new ATOM 659 N MET A 46 5.107 15.151 -1.107 1.00 0.00 N ATOM 660 CA MET A 46 5.246 14.284 0.058 1.00 0.00 C ATOM 661 C MET A 46 4.001 14.351 0.937 1.00 0.00 C ATOM 662 O MET A 46 3.592 15.428 1.368 1.00 0.00 O ATOM 663 CB MET A 46 6.480 14.680 0.871 1.00 0.00 C ATOM 664 CG MET A 46 6.799 13.715 2.001 1.00 0.00 C ATOM 665 SD MET A 46 7.854 14.450 3.265 1.00 0.00 S ATOM 666 CE MET A 46 9.266 14.947 2.281 1.00 0.00 C ATOM 0 H MET A 46 5.879 15.803 -1.243 1.00 0.00 H new ATOM 0 HA MET A 46 5.366 13.260 -0.295 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.340 14.742 0.204 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.327 15.676 1.287 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.869 13.379 2.460 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.290 12.832 1.592 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.185 14.664 2.794 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.225 14.452 1.311 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.248 16.028 2.139 1.00 0.00 H new ATOM 676 N ALA A 47 3.404 13.192 1.197 1.00 0.00 N ATOM 677 CA ALA A 47 2.207 13.120 2.026 1.00 0.00 C ATOM 678 C ALA A 47 1.982 11.702 2.542 1.00 0.00 C ATOM 679 O ALA A 47 2.508 10.729 2.002 1.00 0.00 O ATOM 680 CB ALA A 47 0.993 13.597 1.243 1.00 0.00 C ATOM 0 H ALA A 47 3.729 12.291 0.846 1.00 0.00 H new ATOM 0 HA ALA A 47 2.351 13.774 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.107 13.538 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.146 14.629 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.856 12.966 0.365 1.00 0.00 H new ATOM 686 N PRO A 48 1.182 11.581 3.612 1.00 0.00 N ATOM 687 CA PRO A 48 0.869 10.287 4.224 1.00 0.00 C ATOM 688 C PRO A 48 -0.024 9.427 3.337 1.00 0.00 C ATOM 689 O PRO A 48 -1.077 9.873 2.880 1.00 0.00 O ATOM 690 CB PRO A 48 0.134 10.671 5.510 1.00 0.00 C ATOM 691 CG PRO A 48 -0.449 12.013 5.227 1.00 0.00 C ATOM 692 CD PRO A 48 0.521 12.699 4.306 1.00 0.00 C ATOM 0 HA PRO A 48 1.764 9.688 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.642 9.946 5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.816 10.707 6.360 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.431 11.922 4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.583 12.582 6.147 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.011 13.361 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.236 13.309 4.858 1.00 0.00 H new ATOM 700 N VAL A 49 0.402 8.191 3.096 1.00 0.00 N ATOM 701 CA VAL A 49 -0.360 7.267 2.264 1.00 0.00 C ATOM 702 C VAL A 49 -0.777 6.032 3.055 1.00 0.00 C ATOM 703 O VAL A 49 -0.273 5.785 4.150 1.00 0.00 O ATOM 704 CB VAL A 49 0.448 6.825 1.030 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.809 8.026 0.170 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.698 6.069 1.456 1.00 0.00 C ATOM 0 H VAL A 49 1.271 7.806 3.465 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.251 7.801 1.933 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.170 6.154 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.380 7.694 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.103 8.522 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.409 8.724 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.258 5.764 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.321 6.715 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.412 5.186 2.027 1.00 0.00 H new ATOM 716 N GLU A 50 -1.700 5.259 2.491 1.00 0.00 N ATOM 717 CA GLU A 50 -2.185 4.049 3.144 1.00 0.00 C ATOM 718 C GLU A 50 -2.418 2.937 2.126 1.00 0.00 C ATOM 719 O GLU A 50 -3.145 3.118 1.149 1.00 0.00 O ATOM 720 CB GLU A 50 -3.480 4.337 3.906 1.00 0.00 C ATOM 721 CG GLU A 50 -3.290 5.251 5.105 1.00 0.00 C ATOM 722 CD GLU A 50 -3.543 6.709 4.774 1.00 0.00 C ATOM 723 OE1 GLU A 50 -4.468 6.984 3.982 1.00 0.00 O ATOM 724 OE2 GLU A 50 -2.817 7.573 5.308 1.00 0.00 O ATOM 0 H GLU A 50 -2.126 5.449 1.584 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.423 3.718 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.200 4.791 3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.911 3.394 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.964 4.941 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.274 5.140 5.485 1.00 0.00 H new ATOM 731 N TRP A 51 -1.795 1.788 2.361 1.00 0.00 N ATOM 732 CA TRP A 51 -1.934 0.646 1.464 1.00 0.00 C ATOM 733 C TRP A 51 -3.092 -0.247 1.894 1.00 0.00 C ATOM 734 O TRP A 51 -3.114 -0.753 3.016 1.00 0.00 O ATOM 735 CB TRP A 51 -0.636 -0.163 1.430 1.00 0.00 C ATOM 736 CG TRP A 51 0.534 0.614 0.906 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.325 1.477 1.609 1.00 0.00 C ATOM 738 CD2 TRP A 51 1.043 0.600 -0.432 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.295 2.000 0.789 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.145 1.477 -0.468 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.677 -0.071 -1.602 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.880 1.700 -1.629 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.408 0.152 -2.753 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.500 1.031 -2.760 1.00 0.00 C ATOM 0 H TRP A 51 -1.189 1.622 3.164 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.144 1.025 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.409 -0.514 2.437 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.783 -1.047 0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.205 1.714 2.656 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.011 2.670 1.071 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.162 -0.751 -1.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.721 2.378 -1.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.133 -0.360 -3.663 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.052 1.183 -3.676 1.00 0.00 H new ATOM 755 N TRP A 52 -4.053 -0.436 0.997 1.00 0.00 N ATOM 756 CA TRP A 52 -5.215 -1.269 1.285 1.00 0.00 C ATOM 757 C TRP A 52 -5.271 -2.469 0.346 1.00 0.00 C ATOM 758 O TRP A 52 -4.660 -2.463 -0.723 1.00 0.00 O ATOM 759 CB TRP A 52 -6.500 -0.448 1.161 1.00 0.00 C ATOM 760 CG TRP A 52 -6.657 0.575 2.245 1.00 0.00 C ATOM 761 CD1 TRP A 52 -5.968 1.747 2.371 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.560 0.516 3.354 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.388 2.421 3.493 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.364 1.687 4.113 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.515 -0.410 3.780 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.089 1.952 5.272 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.233 -0.146 4.931 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.018 1.028 5.665 1.00 0.00 C ATOM 0 H TRP A 52 -4.051 -0.024 0.064 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.124 -1.636 2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.510 0.054 0.193 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.357 -1.122 1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.205 2.094 1.689 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.031 3.322 3.812 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.689 -1.317 3.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.924 2.855 5.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.972 -0.857 5.270 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.597 1.207 6.559 1.00 0.00 H new ATOM 779 N LYS A 53 -6.008 -3.498 0.750 1.00 0.00 N ATOM 780 CA LYS A 53 -6.146 -4.705 -0.056 1.00 0.00 C ATOM 781 C LYS A 53 -7.602 -5.156 -0.116 1.00 0.00 C ATOM 782 O LYS A 53 -8.074 -5.882 0.758 1.00 0.00 O ATOM 783 CB LYS A 53 -5.277 -5.827 0.517 1.00 0.00 C ATOM 784 CG LYS A 53 -5.344 -7.117 -0.282 1.00 0.00 C ATOM 785 CD LYS A 53 -4.653 -8.259 0.443 1.00 0.00 C ATOM 786 CE LYS A 53 -3.329 -8.616 -0.214 1.00 0.00 C ATOM 787 NZ LYS A 53 -2.265 -8.883 0.793 1.00 0.00 N ATOM 0 H LYS A 53 -6.520 -3.520 1.632 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.813 -4.476 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.242 -5.488 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.588 -6.028 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.386 -7.379 -0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.877 -6.968 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.481 -7.980 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.304 -9.133 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.462 -9.495 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.016 -7.801 -0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.378 -9.123 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.120 -8.036 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.552 -9.677 1.399 1.00 0.00 H new ATOM 801 N GLY A 54 -8.309 -4.721 -1.155 1.00 0.00 N ATOM 802 CA GLY A 54 -9.703 -5.092 -1.310 1.00 0.00 C ATOM 803 C GLY A 54 -10.612 -4.341 -0.356 1.00 0.00 C ATOM 804 O GLY A 54 -11.340 -3.435 -0.764 1.00 0.00 O ATOM 0 H GLY A 54 -7.941 -4.119 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.016 -4.896 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.811 -6.164 -1.143 1.00 0.00 H new ATOM 808 N HIS A 55 -10.572 -4.719 0.917 1.00 0.00 N ATOM 809 CA HIS A 55 -11.400 -4.076 1.932 1.00 0.00 C ATOM 810 C HIS A 55 -10.755 -4.187 3.310 1.00 0.00 C ATOM 811 O HIS A 55 -11.446 -4.317 4.320 1.00 0.00 O ATOM 812 CB HIS A 55 -12.794 -4.704 1.956 1.00 0.00 C ATOM 813 CG HIS A 55 -12.782 -6.178 2.224 1.00 0.00 C ATOM 814 ND1 HIS A 55 -12.600 -7.121 1.234 1.00 0.00 N ATOM 815 CD2 HIS A 55 -12.930 -6.869 3.378 1.00 0.00 C ATOM 816 CE1 HIS A 55 -12.638 -8.328 1.768 1.00 0.00 C ATOM 817 NE2 HIS A 55 -12.837 -8.204 3.067 1.00 0.00 N ATOM 0 H HIS A 55 -9.976 -5.467 1.271 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.490 -3.020 1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.394 -4.209 2.720 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.283 -4.521 0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.091 -6.449 4.360 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.525 -9.259 1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -12.910 -8.974 3.732 1.00 0.00 H new ATOM 825 N GLU A 56 -9.427 -4.136 3.342 1.00 0.00 N ATOM 826 CA GLU A 56 -8.689 -4.233 4.596 1.00 0.00 C ATOM 827 C GLU A 56 -7.332 -3.545 4.484 1.00 0.00 C ATOM 828 O GLU A 56 -6.725 -3.514 3.412 1.00 0.00 O ATOM 829 CB GLU A 56 -8.500 -5.699 4.991 1.00 0.00 C ATOM 830 CG GLU A 56 -7.908 -5.885 6.378 1.00 0.00 C ATOM 831 CD GLU A 56 -8.797 -5.325 7.471 1.00 0.00 C ATOM 832 OE1 GLU A 56 -9.824 -5.962 7.785 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.465 -4.250 8.013 1.00 0.00 O ATOM 0 H GLU A 56 -8.841 -4.028 2.514 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.269 -3.729 5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.464 -6.206 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.851 -6.182 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.742 -6.947 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.934 -5.398 6.422 1.00 0.00 H new ATOM 840 N THR A 57 -6.860 -2.994 5.598 1.00 0.00 N ATOM 841 CA THR A 57 -5.575 -2.306 5.625 1.00 0.00 C ATOM 842 C THR A 57 -4.426 -3.292 5.799 1.00 0.00 C ATOM 843 O THR A 57 -4.597 -4.364 6.382 1.00 0.00 O ATOM 844 CB THR A 57 -5.520 -1.266 6.760 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.842 -0.989 7.236 1.00 0.00 O ATOM 846 CG2 THR A 57 -4.868 0.023 6.281 1.00 0.00 C ATOM 0 H THR A 57 -7.348 -3.011 6.493 1.00 0.00 H new ATOM 0 HA THR A 57 -5.469 -1.796 4.668 1.00 0.00 H new ATOM 0 HB THR A 57 -4.921 -1.678 7.572 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.345 -0.509 6.545 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.840 0.743 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.852 -0.186 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.444 0.437 5.454 1.00 0.00 H new ATOM 854 N LEU A 58 -3.255 -2.925 5.291 1.00 0.00 N ATOM 855 CA LEU A 58 -2.076 -3.778 5.391 1.00 0.00 C ATOM 856 C LEU A 58 -1.122 -3.264 6.464 1.00 0.00 C ATOM 857 O LEU A 58 -1.239 -2.126 6.920 1.00 0.00 O ATOM 858 CB LEU A 58 -1.356 -3.847 4.043 1.00 0.00 C ATOM 859 CG LEU A 58 -2.182 -4.371 2.867 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.450 -4.138 1.555 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.494 -5.849 3.051 1.00 0.00 C ATOM 0 H LEU A 58 -3.096 -2.042 4.805 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.405 -4.779 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.998 -2.848 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.477 -4.482 4.155 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.124 -3.823 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.053 -4.517 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.279 -3.070 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.493 -4.659 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.082 -6.205 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.563 -6.413 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.061 -5.989 3.972 1.00 0.00 H new ATOM 873 N ARG A 59 -0.176 -4.109 6.862 1.00 0.00 N ATOM 874 CA ARG A 59 0.799 -3.740 7.881 1.00 0.00 C ATOM 875 C ARG A 59 2.218 -3.804 7.323 1.00 0.00 C ATOM 876 O ARG A 59 2.440 -4.305 6.221 1.00 0.00 O ATOM 877 CB ARG A 59 0.674 -4.663 9.094 1.00 0.00 C ATOM 878 CG ARG A 59 -0.343 -4.188 10.119 1.00 0.00 C ATOM 879 CD ARG A 59 0.198 -4.302 11.536 1.00 0.00 C ATOM 880 NE ARG A 59 -0.552 -3.474 12.476 1.00 0.00 N ATOM 881 CZ ARG A 59 -0.159 -3.239 13.723 1.00 0.00 C ATOM 882 NH1 ARG A 59 0.970 -3.766 14.177 1.00 0.00 N ATOM 883 NH2 ARG A 59 -0.896 -2.475 14.519 1.00 0.00 N ATOM 0 H ARG A 59 -0.064 -5.054 6.494 1.00 0.00 H new ATOM 0 HA ARG A 59 0.595 -2.715 8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.396 -5.660 8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.648 -4.751 9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.612 -3.152 9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.255 -4.778 10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.157 -5.343 11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.247 -4.006 11.549 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.425 -3.053 12.158 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.539 -4.354 13.568 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.269 -3.584 15.135 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.765 -2.068 14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.594 -2.295 15.476 1.00 0.00 H new ATOM 897 N ASP A 60 3.173 -3.294 8.092 1.00 0.00 N ATOM 898 CA ASP A 60 4.571 -3.293 7.676 1.00 0.00 C ATOM 899 C ASP A 60 5.425 -4.112 8.639 1.00 0.00 C ATOM 900 O ASP A 60 5.503 -3.807 9.828 1.00 0.00 O ATOM 901 CB ASP A 60 5.101 -1.861 7.596 1.00 0.00 C ATOM 902 CG ASP A 60 5.090 -1.164 8.942 1.00 0.00 C ATOM 903 OD1 ASP A 60 4.032 -0.620 9.320 1.00 0.00 O ATOM 904 OD2 ASP A 60 6.141 -1.161 9.618 1.00 0.00 O ATOM 0 H ASP A 60 3.005 -2.876 9.007 1.00 0.00 H new ATOM 0 HA ASP A 60 4.631 -3.749 6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.119 -1.875 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.496 -1.292 6.890 1.00 0.00 H new ATOM 909 N GLY A 61 6.064 -5.154 8.116 1.00 0.00 N ATOM 910 CA GLY A 61 6.903 -6.001 8.943 1.00 0.00 C ATOM 911 C GLY A 61 6.587 -7.474 8.772 1.00 0.00 C ATOM 912 O GLY A 61 5.654 -7.837 8.057 1.00 0.00 O ATOM 0 H GLY A 61 6.015 -5.427 7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.949 -5.826 8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.774 -5.724 9.989 1.00 0.00 H new ATOM 916 N ASP A 62 7.368 -8.325 9.429 1.00 0.00 N ATOM 917 CA ASP A 62 7.168 -9.767 9.346 1.00 0.00 C ATOM 918 C ASP A 62 7.525 -10.286 7.956 1.00 0.00 C ATOM 919 O ASP A 62 8.578 -10.893 7.761 1.00 0.00 O ATOM 920 CB ASP A 62 5.718 -10.122 9.680 1.00 0.00 C ATOM 921 CG ASP A 62 5.600 -10.932 10.956 1.00 0.00 C ATOM 922 OD1 ASP A 62 5.699 -12.174 10.881 1.00 0.00 O ATOM 923 OD2 ASP A 62 5.406 -10.323 12.030 1.00 0.00 O ATOM 0 H ASP A 62 8.145 -8.041 10.025 1.00 0.00 H new ATOM 0 HA ASP A 62 7.827 -10.243 10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.136 -9.206 9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.285 -10.686 8.854 1.00 0.00 H new ATOM 928 N ARG A 63 6.639 -10.044 6.995 1.00 0.00 N ATOM 929 CA ARG A 63 6.860 -10.489 5.624 1.00 0.00 C ATOM 930 C ARG A 63 6.592 -9.358 4.636 1.00 0.00 C ATOM 931 O ARG A 63 6.591 -9.568 3.422 1.00 0.00 O ATOM 932 CB ARG A 63 5.962 -11.685 5.303 1.00 0.00 C ATOM 933 CG ARG A 63 6.491 -13.006 5.839 1.00 0.00 C ATOM 934 CD ARG A 63 6.122 -14.165 4.927 1.00 0.00 C ATOM 935 NE ARG A 63 5.418 -15.224 5.644 1.00 0.00 N ATOM 936 CZ ARG A 63 4.678 -16.151 5.046 1.00 0.00 C ATOM 937 NH1 ARG A 63 4.546 -16.149 3.727 1.00 0.00 N ATOM 938 NH2 ARG A 63 4.067 -17.082 5.768 1.00 0.00 N ATOM 0 H ARG A 63 5.763 -9.543 7.140 1.00 0.00 H new ATOM 0 HA ARG A 63 7.903 -10.791 5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.970 -11.505 5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.846 -11.762 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.575 -12.951 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.087 -13.183 6.836 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.496 -13.800 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.026 -14.573 4.475 1.00 0.00 H new ATOM 0 HE ARG A 63 5.499 -15.254 6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.013 -15.435 3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.977 -16.862 3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.165 -17.086 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.499 -17.793 5.308 1.00 0.00 H new ATOM 952 N HIS A 64 6.364 -8.160 5.163 1.00 0.00 N ATOM 953 CA HIS A 64 6.095 -6.995 4.327 1.00 0.00 C ATOM 954 C HIS A 64 7.089 -5.875 4.619 1.00 0.00 C ATOM 955 O HIS A 64 7.460 -5.646 5.770 1.00 0.00 O ATOM 956 CB HIS A 64 4.667 -6.497 4.554 1.00 0.00 C ATOM 957 CG HIS A 64 3.618 -7.502 4.190 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.377 -8.640 4.930 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.742 -7.534 3.159 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.400 -9.330 4.369 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.997 -8.679 3.292 1.00 0.00 N ATOM 0 H HIS A 64 6.360 -7.970 6.165 1.00 0.00 H new ATOM 0 HA HIS A 64 6.207 -7.293 3.285 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.549 -6.224 5.603 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.509 -5.591 3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.647 -6.796 2.377 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.999 -10.266 4.729 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.253 -8.979 2.662 1.00 0.00 H new ATOM 969 N SER A 65 7.517 -5.182 3.569 1.00 0.00 N ATOM 970 CA SER A 65 8.472 -4.089 3.712 1.00 0.00 C ATOM 971 C SER A 65 7.908 -2.795 3.132 1.00 0.00 C ATOM 972 O SER A 65 7.824 -2.632 1.914 1.00 0.00 O ATOM 973 CB SER A 65 9.789 -4.441 3.019 1.00 0.00 C ATOM 974 OG SER A 65 10.352 -3.304 2.387 1.00 0.00 O ATOM 0 H SER A 65 7.218 -5.358 2.610 1.00 0.00 H new ATOM 0 HA SER A 65 8.658 -3.939 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.492 -4.841 3.749 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.617 -5.224 2.280 1.00 0.00 H new ATOM 0 HG SER A 65 11.194 -3.555 1.952 1.00 0.00 H new ATOM 980 N LEU A 66 7.522 -1.878 4.012 1.00 0.00 N ATOM 981 CA LEU A 66 6.966 -0.598 3.589 1.00 0.00 C ATOM 982 C LEU A 66 8.016 0.506 3.671 1.00 0.00 C ATOM 983 O LEU A 66 8.460 0.873 4.759 1.00 0.00 O ATOM 984 CB LEU A 66 5.758 -0.234 4.453 1.00 0.00 C ATOM 985 CG LEU A 66 4.425 -0.860 4.041 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.349 -2.307 4.504 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.262 -0.057 4.604 1.00 0.00 C ATOM 0 H LEU A 66 7.584 -1.997 5.023 1.00 0.00 H new ATOM 0 HA LEU A 66 6.647 -0.694 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.971 -0.526 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.645 0.850 4.446 1.00 0.00 H new ATOM 0 HG LEU A 66 4.359 -0.844 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.394 -2.736 4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.161 -2.877 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.437 -2.347 5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.322 -0.517 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.324 -0.041 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.306 0.963 4.223 1.00 0.00 H new ATOM 999 N ARG A 67 8.406 1.032 2.515 1.00 0.00 N ATOM 1000 CA ARG A 67 9.402 2.095 2.457 1.00 0.00 C ATOM 1001 C ARG A 67 8.840 3.330 1.760 1.00 0.00 C ATOM 1002 O ARG A 67 8.178 3.224 0.728 1.00 0.00 O ATOM 1003 CB ARG A 67 10.655 1.609 1.724 1.00 0.00 C ATOM 1004 CG ARG A 67 11.134 0.240 2.179 1.00 0.00 C ATOM 1005 CD ARG A 67 12.518 -0.075 1.633 1.00 0.00 C ATOM 1006 NE ARG A 67 13.546 0.012 2.667 1.00 0.00 N ATOM 1007 CZ ARG A 67 14.794 -0.411 2.500 1.00 0.00 C ATOM 1008 NH1 ARG A 67 15.167 -0.948 1.346 1.00 0.00 N ATOM 1009 NH2 ARG A 67 15.673 -0.298 3.487 1.00 0.00 N ATOM 0 H ARG A 67 8.048 0.740 1.606 1.00 0.00 H new ATOM 0 HA ARG A 67 9.668 2.365 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.450 1.576 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.456 2.333 1.872 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.154 0.204 3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.429 -0.522 1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.519 -1.077 1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.756 0.618 0.826 1.00 0.00 H new ATOM 0 HE ARG A 67 13.292 0.420 3.567 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.495 -1.037 0.584 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.126 -1.272 1.221 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.391 0.114 4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.631 -0.623 3.357 1.00 0.00 H new ATOM 1023 N GLN A 68 9.107 4.499 2.333 1.00 0.00 N ATOM 1024 CA GLN A 68 8.626 5.754 1.767 1.00 0.00 C ATOM 1025 C GLN A 68 9.713 6.823 1.812 1.00 0.00 C ATOM 1026 O GLN A 68 10.146 7.237 2.887 1.00 0.00 O ATOM 1027 CB GLN A 68 7.387 6.237 2.523 1.00 0.00 C ATOM 1028 CG GLN A 68 6.774 7.501 1.942 1.00 0.00 C ATOM 1029 CD GLN A 68 5.912 8.244 2.943 1.00 0.00 C ATOM 1030 OE1 GLN A 68 6.219 8.286 4.135 1.00 0.00 O ATOM 1031 NE2 GLN A 68 4.824 8.837 2.463 1.00 0.00 N ATOM 0 H GLN A 68 9.653 4.603 3.188 1.00 0.00 H new ATOM 0 HA GLN A 68 8.360 5.576 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.638 5.445 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.655 6.418 3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.570 8.160 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.172 7.241 1.071 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.607 8.777 1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.206 9.352 3.089 1.00 0.00 H new ATOM 1040 N ASP A 69 10.149 7.266 0.638 1.00 0.00 N ATOM 1041 CA ASP A 69 11.185 8.288 0.543 1.00 0.00 C ATOM 1042 C ASP A 69 10.646 9.547 -0.131 1.00 0.00 C ATOM 1043 O ASP A 69 10.791 9.727 -1.339 1.00 0.00 O ATOM 1044 CB ASP A 69 12.389 7.754 -0.234 1.00 0.00 C ATOM 1045 CG ASP A 69 13.288 6.881 0.619 1.00 0.00 C ATOM 1046 OD1 ASP A 69 12.873 5.752 0.954 1.00 0.00 O ATOM 1047 OD2 ASP A 69 14.406 7.326 0.952 1.00 0.00 O ATOM 0 H ASP A 69 9.801 6.933 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 69 11.501 8.545 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.039 7.180 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.966 8.592 -0.625 1.00 0.00 H new ATOM 1052 N GLY A 70 10.023 10.415 0.660 1.00 0.00 N ATOM 1053 CA GLY A 70 9.471 11.645 0.122 1.00 0.00 C ATOM 1054 C GLY A 70 8.240 11.404 -0.729 1.00 0.00 C ATOM 1055 O GLY A 70 7.163 11.119 -0.207 1.00 0.00 O ATOM 0 H GLY A 70 9.891 10.289 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.216 12.315 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.230 12.149 -0.477 1.00 0.00 H new ATOM 1059 N ALA A 71 8.399 11.521 -2.043 1.00 0.00 N ATOM 1060 CA ALA A 71 7.292 11.314 -2.968 1.00 0.00 C ATOM 1061 C ALA A 71 7.448 10.000 -3.725 1.00 0.00 C ATOM 1062 O ALA A 71 6.968 9.861 -4.851 1.00 0.00 O ATOM 1063 CB ALA A 71 7.193 12.479 -3.942 1.00 0.00 C ATOM 0 H ALA A 71 9.284 11.758 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 71 6.371 11.261 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.362 12.311 -4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.026 13.403 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.120 12.559 -4.509 1.00 0.00 H new ATOM 1069 N ARG A 72 8.122 9.039 -3.102 1.00 0.00 N ATOM 1070 CA ARG A 72 8.342 7.736 -3.719 1.00 0.00 C ATOM 1071 C ARG A 72 8.085 6.611 -2.721 1.00 0.00 C ATOM 1072 O ARG A 72 8.878 6.387 -1.806 1.00 0.00 O ATOM 1073 CB ARG A 72 9.771 7.638 -4.256 1.00 0.00 C ATOM 1074 CG ARG A 72 9.887 7.954 -5.739 1.00 0.00 C ATOM 1075 CD ARG A 72 11.332 7.897 -6.209 1.00 0.00 C ATOM 1076 NE ARG A 72 11.448 7.339 -7.554 1.00 0.00 N ATOM 1077 CZ ARG A 72 11.359 6.041 -7.821 1.00 0.00 C ATOM 1078 NH1 ARG A 72 11.153 5.171 -6.841 1.00 0.00 N ATOM 1079 NH2 ARG A 72 11.475 5.610 -9.071 1.00 0.00 N ATOM 0 H ARG A 72 8.525 9.138 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 72 7.641 7.631 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.408 8.323 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.149 6.632 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.289 7.245 -6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.479 8.946 -5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.758 8.900 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.916 7.293 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 72 11.606 7.981 -8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.062 5.498 -5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.085 4.175 -7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.633 6.276 -9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.407 4.613 -9.275 1.00 0.00 H new ATOM 1093 N CYS A 73 6.972 5.909 -2.903 1.00 0.00 N ATOM 1094 CA CYS A 73 6.609 4.808 -2.018 1.00 0.00 C ATOM 1095 C CYS A 73 7.018 3.468 -2.620 1.00 0.00 C ATOM 1096 O CYS A 73 7.134 3.335 -3.838 1.00 0.00 O ATOM 1097 CB CYS A 73 5.104 4.820 -1.745 1.00 0.00 C ATOM 1098 SG CYS A 73 4.456 6.435 -1.253 1.00 0.00 S ATOM 0 H CYS A 73 6.305 6.083 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 73 7.143 4.941 -1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.580 4.488 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.882 4.097 -0.960 1.00 0.00 H new ATOM 0 HG CYS A 73 3.172 6.467 -1.454 1.00 0.00 H new ATOM 1104 N GLU A 74 7.237 2.480 -1.759 1.00 0.00 N ATOM 1105 CA GLU A 74 7.636 1.151 -2.207 1.00 0.00 C ATOM 1106 C GLU A 74 7.180 0.083 -1.217 1.00 0.00 C ATOM 1107 O GLU A 74 7.528 0.126 -0.036 1.00 0.00 O ATOM 1108 CB GLU A 74 9.154 1.083 -2.384 1.00 0.00 C ATOM 1109 CG GLU A 74 9.637 1.626 -3.719 1.00 0.00 C ATOM 1110 CD GLU A 74 10.287 2.990 -3.592 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.081 3.184 -2.648 1.00 0.00 O ATOM 1112 OE2 GLU A 74 10.002 3.863 -4.438 1.00 0.00 O ATOM 0 H GLU A 74 7.145 2.574 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 74 7.156 0.960 -3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.630 1.644 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.477 0.047 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.350 0.927 -4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.794 1.692 -4.407 1.00 0.00 H new ATOM 1119 N LEU A 75 6.399 -0.874 -1.707 1.00 0.00 N ATOM 1120 CA LEU A 75 5.894 -1.954 -0.866 1.00 0.00 C ATOM 1121 C LEU A 75 6.397 -3.307 -1.357 1.00 0.00 C ATOM 1122 O LEU A 75 5.962 -3.801 -2.397 1.00 0.00 O ATOM 1123 CB LEU A 75 4.364 -1.941 -0.850 1.00 0.00 C ATOM 1124 CG LEU A 75 3.688 -3.209 -0.327 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.117 -3.491 1.105 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.174 -3.082 -0.417 1.00 0.00 C ATOM 0 H LEU A 75 6.102 -0.924 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 75 6.264 -1.796 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.034 -1.100 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.011 -1.757 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 75 4.000 -4.047 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.626 -4.397 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.198 -3.626 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.835 -2.652 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.709 -3.993 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.844 -2.233 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.883 -2.929 -1.456 1.00 0.00 H new ATOM 1138 N GLN A 76 7.315 -3.901 -0.600 1.00 0.00 N ATOM 1139 CA GLN A 76 7.876 -5.198 -0.958 1.00 0.00 C ATOM 1140 C GLN A 76 7.221 -6.316 -0.153 1.00 0.00 C ATOM 1141 O GLN A 76 6.847 -6.122 1.004 1.00 0.00 O ATOM 1142 CB GLN A 76 9.388 -5.205 -0.727 1.00 0.00 C ATOM 1143 CG GLN A 76 10.031 -6.565 -0.946 1.00 0.00 C ATOM 1144 CD GLN A 76 11.545 -6.494 -0.989 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.229 -7.082 -0.151 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.076 -5.772 -1.969 1.00 0.00 N ATOM 0 H GLN A 76 7.685 -3.505 0.264 1.00 0.00 H new ATOM 0 HA GLN A 76 7.677 -5.372 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.853 -4.481 -1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.593 -4.875 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.725 -7.240 -0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.664 -6.990 -1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.470 -5.302 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.089 -5.688 -2.049 1.00 0.00 H new ATOM 1155 N ILE A 77 7.086 -7.484 -0.772 1.00 0.00 N ATOM 1156 CA ILE A 77 6.477 -8.632 -0.112 1.00 0.00 C ATOM 1157 C ILE A 77 7.359 -9.870 -0.239 1.00 0.00 C ATOM 1158 O ILE A 77 7.421 -10.494 -1.298 1.00 0.00 O ATOM 1159 CB ILE A 77 5.086 -8.944 -0.695 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.171 -7.724 -0.570 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.475 -10.146 0.009 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.444 -7.380 -1.850 1.00 0.00 C ATOM 0 H ILE A 77 7.390 -7.660 -1.730 1.00 0.00 H new ATOM 0 HA ILE A 77 6.370 -8.371 0.941 1.00 0.00 H new ATOM 0 HB ILE A 77 5.197 -9.184 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.439 -7.908 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.765 -6.865 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.492 -10.354 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.120 -11.014 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.374 -9.932 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.814 -6.505 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.170 -7.163 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.823 -8.223 -2.153 1.00 0.00 H new ATOM 1174 N ARG A 78 8.037 -10.220 0.849 1.00 0.00 N ATOM 1175 CA ARG A 78 8.915 -11.384 0.860 1.00 0.00 C ATOM 1176 C ARG A 78 8.136 -12.649 1.208 1.00 0.00 C ATOM 1177 O ARG A 78 7.384 -12.679 2.181 1.00 0.00 O ATOM 1178 CB ARG A 78 10.053 -11.182 1.862 1.00 0.00 C ATOM 1179 CG ARG A 78 11.424 -11.076 1.213 1.00 0.00 C ATOM 1180 CD ARG A 78 12.522 -11.548 2.153 1.00 0.00 C ATOM 1181 NE ARG A 78 13.784 -10.853 1.913 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.788 -10.831 2.782 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.679 -11.463 3.942 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.905 -10.177 2.491 1.00 0.00 N ATOM 0 H ARG A 78 7.995 -9.714 1.734 1.00 0.00 H new ATOM 0 HA ARG A 78 9.336 -11.500 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.862 -10.277 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.057 -12.013 2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.443 -11.672 0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.611 -10.042 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.210 -11.387 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.670 -12.621 2.028 1.00 0.00 H new ATOM 0 HE ARG A 78 13.901 -10.357 1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.822 -11.968 4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.452 -11.444 4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.993 -9.690 1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.675 -10.161 3.159 1.00 0.00 H new ATOM 1198 N GLY A 79 8.320 -13.692 0.403 1.00 0.00 N ATOM 1199 CA GLY A 79 7.628 -14.944 0.642 1.00 0.00 C ATOM 1200 C GLY A 79 6.323 -15.041 -0.124 1.00 0.00 C ATOM 1201 O GLY A 79 5.263 -15.259 0.464 1.00 0.00 O ATOM 0 H GLY A 79 8.936 -13.691 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.275 -15.773 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.428 -15.047 1.709 1.00 0.00 H new ATOM 1205 N LEU A 80 6.399 -14.876 -1.440 1.00 0.00 N ATOM 1206 CA LEU A 80 5.214 -14.945 -2.289 1.00 0.00 C ATOM 1207 C LEU A 80 4.496 -16.279 -2.115 1.00 0.00 C ATOM 1208 O LEU A 80 5.035 -17.214 -1.523 1.00 0.00 O ATOM 1209 CB LEU A 80 5.602 -14.749 -3.756 1.00 0.00 C ATOM 1210 CG LEU A 80 5.657 -13.302 -4.248 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.160 -13.245 -5.682 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.288 -12.648 -4.135 1.00 0.00 C ATOM 0 H LEU A 80 7.268 -14.694 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 80 4.535 -14.147 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.580 -15.204 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.891 -15.296 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 80 6.354 -12.750 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.193 -12.208 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.161 -13.674 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.488 -13.812 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.346 -11.619 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.570 -13.200 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.966 -12.655 -3.094 1.00 0.00 H new ATOM 1224 N VAL A 81 3.276 -16.361 -2.636 1.00 0.00 N ATOM 1225 CA VAL A 81 2.484 -17.581 -2.541 1.00 0.00 C ATOM 1226 C VAL A 81 1.330 -17.566 -3.537 1.00 0.00 C ATOM 1227 O VAL A 81 1.384 -18.224 -4.576 1.00 0.00 O ATOM 1228 CB VAL A 81 1.920 -17.776 -1.121 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.745 -18.798 -0.354 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.877 -16.448 -0.379 1.00 0.00 C ATOM 0 H VAL A 81 2.815 -15.596 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 81 3.152 -18.410 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 81 0.901 -18.155 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.331 -18.922 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.720 -19.753 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.776 -18.452 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.476 -16.604 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.885 -16.039 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.239 -15.749 -0.921 1.00 0.00 H new ATOM 1240 N ALA A 82 0.285 -16.811 -3.212 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.882 -16.708 -4.079 1.00 0.00 C ATOM 1242 C ALA A 82 -1.933 -15.781 -3.477 1.00 0.00 C ATOM 1243 O ALA A 82 -2.638 -15.077 -4.198 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.474 -18.086 -4.334 1.00 0.00 C ATOM 0 H ALA A 82 0.223 -16.262 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.561 -16.282 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.345 -17.993 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.728 -18.719 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.774 -18.534 -3.387 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.032 -15.789 -2.151 1.00 0.00 N ATOM 1251 CA GLU A 83 -2.999 -14.949 -1.454 1.00 0.00 C ATOM 1252 C GLU A 83 -2.636 -13.473 -1.590 1.00 0.00 C ATOM 1253 O GLU A 83 -3.504 -12.602 -1.531 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.068 -15.335 0.026 1.00 0.00 C ATOM 1255 CG GLU A 83 -3.964 -16.530 0.302 1.00 0.00 C ATOM 1256 CD GLU A 83 -4.271 -16.701 1.777 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -4.817 -15.755 2.384 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -3.964 -17.780 2.325 1.00 0.00 O ATOM 0 H GLU A 83 -1.456 -16.367 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.976 -15.108 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.062 -15.556 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.429 -14.481 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.898 -16.414 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.483 -17.434 -0.072 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.349 -13.201 -1.771 1.00 0.00 N ATOM 1266 CA ASP A 84 -0.871 -11.831 -1.916 1.00 0.00 C ATOM 1267 C ASP A 84 -1.502 -11.160 -3.131 1.00 0.00 C ATOM 1268 O ASP A 84 -1.764 -9.958 -3.123 1.00 0.00 O ATOM 1269 CB ASP A 84 0.654 -11.811 -2.041 1.00 0.00 C ATOM 1270 CG ASP A 84 1.338 -11.462 -0.734 1.00 0.00 C ATOM 1271 OD1 ASP A 84 1.026 -10.394 -0.167 1.00 0.00 O ATOM 1272 OD2 ASP A 84 2.184 -12.258 -0.277 1.00 0.00 O ATOM 0 H ASP A 84 -0.618 -13.911 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.163 -11.275 -1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.001 -12.787 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.944 -11.088 -2.804 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.744 -11.946 -4.175 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.346 -11.429 -5.398 1.00 0.00 C ATOM 1279 C ALA A 85 -3.720 -10.828 -5.122 1.00 0.00 C ATOM 1280 O ALA A 85 -4.490 -11.357 -4.321 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.450 -12.531 -6.442 1.00 0.00 C ATOM 0 H ALA A 85 -1.532 -12.944 -4.198 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.703 -10.638 -5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.901 -12.131 -7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.454 -12.912 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.069 -13.341 -6.056 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.021 -9.718 -5.790 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.302 -9.063 -5.602 1.00 0.00 C ATOM 1289 C GLY A 86 -5.305 -7.637 -6.115 1.00 0.00 C ATOM 1290 O GLY A 86 -4.694 -7.339 -7.141 1.00 0.00 O ATOM 0 H GLY A 86 -3.400 -9.261 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.077 -9.632 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.555 -9.065 -4.542 1.00 0.00 H new ATOM 1294 N GLU A 87 -5.996 -6.754 -5.401 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.077 -5.352 -5.793 1.00 0.00 C ATOM 1296 C GLU A 87 -5.470 -4.451 -4.722 1.00 0.00 C ATOM 1297 O GLU A 87 -6.091 -4.188 -3.691 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.533 -4.953 -6.045 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.684 -3.627 -6.771 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.134 -3.219 -6.946 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.959 -3.580 -6.080 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.444 -2.540 -7.947 1.00 0.00 O ATOM 0 H GLU A 87 -6.507 -6.984 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.508 -5.226 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.019 -5.735 -6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.056 -4.896 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.157 -2.851 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.210 -3.697 -7.750 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.253 -3.982 -4.971 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.560 -3.113 -4.028 1.00 0.00 C ATOM 1311 C TYR A 88 -3.951 -1.654 -4.242 1.00 0.00 C ATOM 1312 O TYR A 88 -3.818 -1.118 -5.343 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.045 -3.273 -4.172 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.519 -4.577 -3.616 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.806 -5.786 -4.237 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.733 -4.599 -2.470 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.327 -6.980 -3.732 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.249 -5.788 -1.959 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.549 -6.975 -2.593 1.00 0.00 C ATOM 1320 OH TYR A 88 -0.069 -8.162 -2.088 1.00 0.00 O ATOM 0 H TYR A 88 -3.725 -4.189 -5.819 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.855 -3.405 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.779 -3.204 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.551 -2.445 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.414 -5.793 -5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.497 -3.671 -1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.560 -7.911 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.361 -5.788 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.626 -8.902 -2.408 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.433 -1.016 -3.181 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.843 0.382 -3.251 1.00 0.00 C ATOM 1332 C LEU A 89 -3.818 1.285 -2.573 1.00 0.00 C ATOM 1333 O LEU A 89 -2.998 0.823 -1.779 1.00 0.00 O ATOM 1334 CB LEU A 89 -6.213 0.565 -2.594 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.285 1.237 -3.454 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.582 0.444 -3.405 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.515 2.669 -2.996 1.00 0.00 C ATOM 0 H LEU A 89 -4.549 -1.444 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.909 0.663 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.581 -0.415 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.083 1.153 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.935 1.259 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.333 0.937 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.407 -0.564 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.937 0.390 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.281 3.132 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.843 2.670 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.586 3.233 -3.084 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.870 2.574 -2.891 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.946 3.542 -2.312 1.00 0.00 C ATOM 1351 C CYS A 90 -3.570 4.934 -2.275 1.00 0.00 C ATOM 1352 O CYS A 90 -3.413 5.720 -3.209 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.643 3.576 -3.112 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.191 4.038 -2.138 1.00 0.00 S ATOM 0 H CYS A 90 -4.542 2.973 -3.547 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.728 3.233 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.474 2.594 -3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.753 4.280 -3.936 1.00 0.00 H new ATOM 0 HG CYS A 90 0.410 2.964 -1.719 1.00 0.00 H new ATOM 1360 N MET A 91 -4.279 5.230 -1.191 1.00 0.00 N ATOM 1361 CA MET A 91 -4.927 6.527 -1.033 1.00 0.00 C ATOM 1362 C MET A 91 -3.963 7.547 -0.436 1.00 0.00 C ATOM 1363 O MET A 91 -3.243 7.250 0.519 1.00 0.00 O ATOM 1364 CB MET A 91 -6.165 6.397 -0.145 1.00 0.00 C ATOM 1365 CG MET A 91 -7.071 5.238 -0.530 1.00 0.00 C ATOM 1366 SD MET A 91 -8.634 5.251 0.368 1.00 0.00 S ATOM 1367 CE MET A 91 -8.320 4.002 1.613 1.00 0.00 C ATOM 0 H MET A 91 -4.420 4.590 -0.409 1.00 0.00 H new ATOM 0 HA MET A 91 -5.232 6.876 -2.020 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.848 6.271 0.890 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.735 7.325 -0.193 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.271 5.278 -1.601 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.554 4.298 -0.338 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.162 3.956 2.303 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.192 3.032 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.414 4.256 2.163 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.953 8.748 -1.003 1.00 0.00 N ATOM 1378 CA CYS A 92 -3.076 9.812 -0.526 1.00 0.00 C ATOM 1379 C CYS A 92 -3.842 11.123 -0.381 1.00 0.00 C ATOM 1380 O CYS A 92 -3.954 11.897 -1.331 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.899 9.998 -1.484 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.809 11.376 -1.056 1.00 0.00 S ATOM 0 H CYS A 92 -4.542 9.010 -1.794 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.695 9.524 0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.313 9.079 -1.506 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -2.285 10.154 -2.491 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.514 12.459 -0.914 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.368 11.366 0.815 1.00 0.00 N ATOM 1389 CA GLY A 93 -5.118 12.584 1.062 1.00 0.00 C ATOM 1390 C GLY A 93 -6.480 12.571 0.397 1.00 0.00 C ATOM 1391 O GLY A 93 -7.494 12.311 1.045 1.00 0.00 O ATOM 0 H GLY A 93 -4.288 10.741 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.243 12.719 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.547 13.438 0.698 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.506 12.855 -0.901 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.754 12.876 -1.655 1.00 0.00 C ATOM 1397 C LYS A 94 -7.703 11.889 -2.817 1.00 0.00 C ATOM 1398 O LYS A 94 -8.603 11.066 -2.984 1.00 0.00 O ATOM 1399 CB LYS A 94 -8.032 14.286 -2.182 1.00 0.00 C ATOM 1400 CG LYS A 94 -8.879 15.129 -1.244 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.326 14.666 -1.233 1.00 0.00 C ATOM 1402 CE LYS A 94 -10.815 14.400 0.183 1.00 0.00 C ATOM 1403 NZ LYS A 94 -12.098 13.644 0.193 1.00 0.00 N ATOM 0 H LYS A 94 -5.677 13.074 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.560 12.580 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.083 14.793 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.536 14.212 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.471 15.074 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.833 16.174 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.955 15.424 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.423 13.759 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.058 13.838 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.947 15.347 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.398 13.483 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.828 14.192 -0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.966 12.729 -0.283 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.645 11.977 -3.617 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.478 11.090 -4.762 1.00 0.00 C ATOM 1419 C GLU A 95 -6.072 9.690 -4.312 1.00 0.00 C ATOM 1420 O GLU A 95 -5.541 9.508 -3.217 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.429 11.653 -5.723 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.994 12.637 -6.734 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.956 13.628 -6.108 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -6.497 14.491 -5.331 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -8.168 13.540 -6.396 1.00 0.00 O ATOM 0 H GLU A 95 -5.891 12.653 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.435 11.023 -5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.648 12.147 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.957 10.828 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.174 13.180 -7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.507 12.087 -7.523 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.326 8.703 -5.165 1.00 0.00 N ATOM 1433 CA ARG A 96 -5.989 7.319 -4.856 1.00 0.00 C ATOM 1434 C ARG A 96 -5.763 6.515 -6.133 1.00 0.00 C ATOM 1435 O ARG A 96 -6.251 6.879 -7.204 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.101 6.675 -4.026 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.468 6.736 -4.687 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.296 5.500 -4.370 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.720 5.808 -4.264 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.492 6.086 -5.309 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -10.979 6.095 -6.532 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.779 6.355 -5.132 1.00 0.00 N ATOM 0 H ARG A 96 -6.764 8.837 -6.076 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.065 7.317 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.844 5.633 -3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.153 7.171 -3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.998 7.627 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.348 6.828 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.144 4.752 -5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.949 5.061 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.145 5.810 -3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.990 5.888 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.573 6.309 -7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.177 6.349 -4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.371 6.568 -5.935 1.00 0.00 H new ATOM 1456 N THR A 97 -5.018 5.421 -6.013 1.00 0.00 N ATOM 1457 CA THR A 97 -4.725 4.567 -7.157 1.00 0.00 C ATOM 1458 C THR A 97 -4.798 3.093 -6.776 1.00 0.00 C ATOM 1459 O THR A 97 -4.563 2.727 -5.624 1.00 0.00 O ATOM 1460 CB THR A 97 -3.331 4.866 -7.740 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.145 4.144 -8.962 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.239 4.490 -6.750 1.00 0.00 C ATOM 0 H THR A 97 -4.606 5.105 -5.135 1.00 0.00 H new ATOM 0 HA THR A 97 -5.480 4.782 -7.913 1.00 0.00 H new ATOM 0 HB THR A 97 -3.266 5.936 -7.939 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.331 4.459 -9.408 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.263 4.710 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.366 5.064 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.304 3.426 -6.524 1.00 0.00 H new ATOM 1470 N SER A 98 -5.124 2.249 -7.750 1.00 0.00 N ATOM 1471 CA SER A 98 -5.230 0.814 -7.515 1.00 0.00 C ATOM 1472 C SER A 98 -4.498 0.030 -8.600 1.00 0.00 C ATOM 1473 O SER A 98 -4.466 0.437 -9.761 1.00 0.00 O ATOM 1474 CB SER A 98 -6.700 0.391 -7.469 1.00 0.00 C ATOM 1475 OG SER A 98 -7.523 1.333 -8.136 1.00 0.00 O ATOM 0 H SER A 98 -5.319 2.535 -8.710 1.00 0.00 H new ATOM 0 HA SER A 98 -4.765 0.593 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.814 -0.589 -7.932 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.021 0.293 -6.432 1.00 0.00 H new ATOM 0 HG SER A 98 -8.457 1.039 -8.094 1.00 0.00 H new ATOM 1481 N ALA A 99 -3.909 -1.096 -8.212 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.178 -1.939 -9.150 1.00 0.00 C ATOM 1483 C ALA A 99 -3.567 -3.405 -8.989 1.00 0.00 C ATOM 1484 O ALA A 99 -4.200 -3.784 -8.005 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.679 -1.764 -8.959 1.00 0.00 C ATOM 0 H ALA A 99 -3.924 -1.446 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.443 -1.629 -10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.146 -2.399 -9.666 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.409 -0.722 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.407 -2.045 -7.942 1.00 0.00 H new ATOM 1491 N MET A 100 -3.184 -4.224 -9.963 1.00 0.00 N ATOM 1492 CA MET A 100 -3.493 -5.649 -9.929 1.00 0.00 C ATOM 1493 C MET A 100 -2.223 -6.476 -9.754 1.00 0.00 C ATOM 1494 O MET A 100 -1.370 -6.517 -10.640 1.00 0.00 O ATOM 1495 CB MET A 100 -4.216 -6.067 -11.210 1.00 0.00 C ATOM 1496 CG MET A 100 -5.712 -5.801 -11.179 1.00 0.00 C ATOM 1497 SD MET A 100 -6.688 -7.317 -11.160 1.00 0.00 S ATOM 1498 CE MET A 100 -6.329 -7.929 -9.516 1.00 0.00 C ATOM 0 H MET A 100 -2.659 -3.926 -10.785 1.00 0.00 H new ATOM 0 HA MET A 100 -4.146 -5.834 -9.076 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.778 -5.535 -12.054 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.048 -7.130 -11.382 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.953 -5.207 -10.297 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.989 -5.206 -12.049 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.930 -8.817 -9.319 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.271 -8.183 -9.445 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.567 -7.160 -8.781 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.105 -7.133 -8.605 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.938 -7.960 -8.314 1.00 0.00 C ATOM 1510 C LEU A 101 -1.220 -9.427 -8.622 1.00 0.00 C ATOM 1511 O LEU A 101 -2.131 -10.029 -8.052 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.532 -7.803 -6.848 1.00 0.00 C ATOM 1513 CG LEU A 101 0.966 -7.655 -6.579 1.00 0.00 C ATOM 1514 CD1 LEU A 101 1.717 -8.893 -7.044 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.510 -6.410 -7.264 1.00 0.00 C ATOM 0 H LEU A 101 -2.802 -7.109 -7.861 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.118 -7.626 -8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.042 -6.929 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.896 -8.670 -6.296 1.00 0.00 H new ATOM 0 HG LEU A 101 1.114 -7.548 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.781 -8.769 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.346 -9.766 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.562 -9.032 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.577 -6.320 -7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.350 -6.487 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.993 -5.529 -6.882 1.00 0.00 H new ATOM 1527 N THR A 102 -0.430 -9.999 -9.525 1.00 0.00 N ATOM 1528 CA THR A 102 -0.594 -11.396 -9.908 1.00 0.00 C ATOM 1529 C THR A 102 0.589 -12.236 -9.440 1.00 0.00 C ATOM 1530 O THR A 102 1.729 -11.772 -9.432 1.00 0.00 O ATOM 1531 CB THR A 102 -0.744 -11.546 -11.434 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.754 -10.654 -11.917 1.00 0.00 O ATOM 1533 CG2 THR A 102 -1.104 -12.977 -11.804 1.00 0.00 C ATOM 0 H THR A 102 0.330 -9.516 -10.005 1.00 0.00 H new ATOM 0 HA THR A 102 -1.503 -11.752 -9.424 1.00 0.00 H new ATOM 0 HB THR A 102 0.211 -11.297 -11.897 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.842 -10.754 -12.888 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.205 -13.059 -12.886 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.318 -13.650 -11.461 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.047 -13.249 -11.330 1.00 0.00 H new ATOM 1541 N VAL A 103 0.311 -13.476 -9.051 1.00 0.00 N ATOM 1542 CA VAL A 103 1.353 -14.382 -8.583 1.00 0.00 C ATOM 1543 C VAL A 103 1.250 -15.740 -9.270 1.00 0.00 C ATOM 1544 O VAL A 103 0.338 -16.519 -8.993 1.00 0.00 O ATOM 1545 CB VAL A 103 1.277 -14.584 -7.058 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.419 -15.468 -6.579 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.294 -13.242 -6.341 1.00 0.00 C ATOM 0 H VAL A 103 -0.627 -13.876 -9.051 1.00 0.00 H new ATOM 0 HA VAL A 103 2.309 -13.922 -8.834 1.00 0.00 H new ATOM 0 HB VAL A 103 0.338 -15.084 -6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.349 -15.600 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.356 -16.440 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.371 -14.998 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.240 -13.404 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.216 -12.712 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.439 -12.647 -6.662 1.00 0.00 H new ATOM 1557 N ARG A 104 2.191 -16.016 -10.166 1.00 0.00 N ATOM 1558 CA ARG A 104 2.207 -17.279 -10.893 1.00 0.00 C ATOM 1559 C ARG A 104 2.563 -18.437 -9.965 1.00 0.00 C ATOM 1560 O ARG A 104 2.791 -18.241 -8.772 1.00 0.00 O ATOM 1561 CB ARG A 104 3.205 -17.213 -12.051 1.00 0.00 C ATOM 1562 CG ARG A 104 2.896 -16.120 -13.060 1.00 0.00 C ATOM 1563 CD ARG A 104 1.944 -16.610 -14.139 1.00 0.00 C ATOM 1564 NE ARG A 104 1.227 -15.509 -14.778 1.00 0.00 N ATOM 1565 CZ ARG A 104 0.188 -15.681 -15.588 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -0.254 -16.902 -15.855 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -0.412 -14.629 -16.131 1.00 0.00 N ATOM 0 H ARG A 104 2.953 -15.382 -10.406 1.00 0.00 H new ATOM 0 HA ARG A 104 1.208 -17.451 -11.293 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.205 -17.052 -11.649 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.218 -18.175 -12.563 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.457 -15.264 -12.548 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.822 -15.776 -13.520 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.504 -17.163 -14.893 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.227 -17.304 -13.701 1.00 0.00 H new ATOM 0 HE ARG A 104 1.541 -14.557 -14.592 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.204 -17.713 -15.438 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.052 -17.031 -16.477 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.075 -13.688 -15.927 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.210 -14.761 -16.753 1.00 0.00 H new ATOM 1581 N ALA A 105 2.608 -19.643 -10.522 1.00 0.00 N ATOM 1582 CA ALA A 105 2.938 -20.831 -9.746 1.00 0.00 C ATOM 1583 C ALA A 105 4.348 -21.319 -10.060 1.00 0.00 C ATOM 1584 O ALA A 105 4.811 -21.216 -11.195 1.00 0.00 O ATOM 1585 CB ALA A 105 1.924 -21.934 -10.012 1.00 0.00 C ATOM 0 H ALA A 105 2.420 -19.822 -11.508 1.00 0.00 H new ATOM 0 HA ALA A 105 2.901 -20.566 -8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.183 -22.816 -9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.929 -21.590 -9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.932 -22.188 -11.072 1.00 0.00 H new ATOM 1591 N MET A 106 5.025 -21.849 -9.047 1.00 0.00 N ATOM 1592 CA MET A 106 6.383 -22.353 -9.217 1.00 0.00 C ATOM 1593 C MET A 106 6.458 -23.332 -10.384 1.00 0.00 C ATOM 1594 O MET A 106 5.451 -23.886 -10.826 1.00 0.00 O ATOM 1595 CB MET A 106 6.862 -23.033 -7.933 1.00 0.00 C ATOM 1596 CG MET A 106 7.732 -22.143 -7.061 1.00 0.00 C ATOM 1597 SD MET A 106 7.890 -22.762 -5.375 1.00 0.00 S ATOM 1598 CE MET A 106 9.671 -22.765 -5.180 1.00 0.00 C ATOM 0 H MET A 106 4.656 -21.941 -8.100 1.00 0.00 H new ATOM 0 HA MET A 106 7.033 -21.506 -9.435 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.994 -23.355 -7.357 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.422 -23.931 -8.194 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.723 -22.060 -7.508 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.308 -21.139 -7.037 1.00 0.00 H new ATOM 0 HE1 MET A 106 9.927 -23.125 -4.183 1.00 0.00 H new ATOM 0 HE2 MET A 106 10.118 -23.420 -5.928 1.00 0.00 H new ATOM 0 HE3 MET A 106 10.053 -21.752 -5.310 1.00 0.00 H new ATOM 1608 N PRO A 107 7.678 -23.552 -10.896 1.00 0.00 N ATOM 1609 CA PRO A 107 7.912 -24.466 -12.018 1.00 0.00 C ATOM 1610 C PRO A 107 7.704 -25.926 -11.630 1.00 0.00 C ATOM 1611 O PRO A 107 7.714 -26.812 -12.484 1.00 0.00 O ATOM 1612 CB PRO A 107 9.377 -24.212 -12.382 1.00 0.00 C ATOM 1613 CG PRO A 107 9.997 -23.705 -11.126 1.00 0.00 C ATOM 1614 CD PRO A 107 8.922 -22.927 -10.419 1.00 0.00 C ATOM 0 HA PRO A 107 7.218 -24.290 -12.839 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.864 -25.125 -12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.464 -23.484 -13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.354 -24.528 -10.507 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.858 -23.073 -11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.019 -23.001 -9.336 1.00 0.00 H new ATOM 0 HD3 PRO A 107 8.961 -21.867 -10.671 1.00 0.00 H new