USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 60 ASN : amide:sc= -1.26 K(o=-3.2,f=-8.9!) USER MOD Set 1.2: A 61 SER OG : rot -174:sc= -1.91! USER MOD Set 2.1: A 48 LYS NZ :NH3+ 166:sc= 0.37 (180deg=0.706) USER MOD Set 2.2: A 52 CYS SG : rot 82:sc= -3.22! USER MOD Set 2.3: A 59 MET CE :methyl 143:sc= -0.686 (180deg=-0.947) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 1.09 (180deg=0.903) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.03) USER MOD Single : A 29 GLN : amide:sc= -1.46! C(o=-1.5!,f=-2.6!) USER MOD Single : A 31 SER OG : rot -42:sc= 0.765 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.674 X(o=-0.67,f=-0.98) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc=-0.00944 (180deg=-0.193) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -178:sc= -2.39 (180deg=-2.41) USER MOD Single : A 41 THR OG1 : rot -38:sc= 0.652 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 89:sc= 1.21 USER MOD Single : A 51 TYR OH : rot -109:sc= -1.8 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 55 GLN : amide:sc= -3.4! K(o=-3.4!,f=-0.88) USER MOD Single : A 69 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.1!) USER MOD Single : A 74 ASN : amide:sc=-0.000767 X(o=-0.00077,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.97! C(o=-2!,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 161:sc= -0.912 (180deg=-2.13) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.386 K(o=0.39,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -4.025 9.302 7.328 1.00 0.00 N ATOM 312 CA ILE A 22 -5.227 8.738 6.771 1.00 0.00 C ATOM 313 C ILE A 22 -5.134 7.228 6.738 1.00 0.00 C ATOM 314 O ILE A 22 -4.091 6.645 7.030 1.00 0.00 O ATOM 315 CB ILE A 22 -5.525 9.272 5.352 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.473 8.785 4.363 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.591 10.794 5.362 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.720 9.225 2.934 1.00 0.00 C ATOM 0 HA ILE A 22 -6.050 9.043 7.418 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.494 8.887 5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.495 9.148 4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.435 7.696 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.802 11.156 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.382 11.119 6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.637 11.197 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.928 8.838 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.682 8.840 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.728 10.314 2.885 1.00 0.00 H new ATOM 330 N LYS A 23 -6.217 6.593 6.407 1.00 0.00 N ATOM 331 CA LYS A 23 -6.262 5.150 6.352 1.00 0.00 C ATOM 332 C LYS A 23 -6.598 4.730 4.947 1.00 0.00 C ATOM 333 O LYS A 23 -7.310 5.424 4.263 1.00 0.00 O ATOM 334 CB LYS A 23 -7.327 4.590 7.320 1.00 0.00 C ATOM 335 CG LYS A 23 -7.251 5.129 8.753 1.00 0.00 C ATOM 336 CD LYS A 23 -8.013 6.451 8.922 1.00 0.00 C ATOM 337 CE LYS A 23 -9.521 6.267 8.738 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.284 7.487 9.108 1.00 0.00 N ATOM 0 H LYS A 23 -7.096 7.052 6.167 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.290 4.756 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.315 4.812 6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.232 3.505 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.659 4.387 9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.207 5.277 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.815 6.860 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.645 7.178 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.730 6.011 7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.860 5.429 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.271 7.230 9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.857 7.921 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.259 8.164 8.319 1.00 0.00 H new ATOM 352 N LEU A 24 -6.058 3.636 4.490 1.00 0.00 N ATOM 353 CA LEU A 24 -6.411 3.139 3.171 1.00 0.00 C ATOM 354 C LEU A 24 -6.584 1.642 3.184 1.00 0.00 C ATOM 355 O LEU A 24 -6.170 0.954 4.127 1.00 0.00 O ATOM 356 CB LEU A 24 -5.394 3.554 2.093 1.00 0.00 C ATOM 357 CG LEU A 24 -5.362 5.040 1.727 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.372 5.778 2.592 1.00 0.00 C ATOM 359 CD2 LEU A 24 -5.034 5.230 0.256 1.00 0.00 C ATOM 0 H LEU A 24 -5.378 3.070 4.997 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.364 3.600 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.399 3.263 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.602 2.983 1.188 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.354 5.455 1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.364 6.833 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.658 5.678 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.377 5.357 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.017 6.294 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.057 4.796 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.792 4.736 -0.352 1.00 0.00 H new ATOM 371 N LYS A 25 -7.199 1.130 2.147 1.00 0.00 N ATOM 372 CA LYS A 25 -7.451 -0.278 2.039 1.00 0.00 C ATOM 373 C LYS A 25 -7.067 -0.777 0.665 1.00 0.00 C ATOM 374 O LYS A 25 -7.232 -0.085 -0.333 1.00 0.00 O ATOM 375 CB LYS A 25 -8.922 -0.572 2.349 1.00 0.00 C ATOM 376 CG LYS A 25 -9.283 -2.054 2.385 1.00 0.00 C ATOM 377 CD LYS A 25 -9.903 -2.527 1.083 1.00 0.00 C ATOM 378 CE LYS A 25 -11.232 -1.831 0.794 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.285 -2.188 1.776 1.00 0.00 N ATOM 0 H LYS A 25 -7.537 1.680 1.357 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.838 -0.808 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.172 -0.128 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.542 -0.079 1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.387 -2.639 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.979 -2.236 3.204 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.210 -2.340 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.061 -3.605 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.083 -0.751 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.568 -2.098 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.219 -1.952 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.241 -3.208 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.134 -1.655 2.656 1.00 0.00 H new ATOM 393 N VAL A 26 -6.533 -1.966 0.616 1.00 0.00 N ATOM 394 CA VAL A 26 -6.106 -2.556 -0.632 1.00 0.00 C ATOM 395 C VAL A 26 -6.938 -3.773 -0.970 1.00 0.00 C ATOM 396 O VAL A 26 -7.331 -4.537 -0.089 1.00 0.00 O ATOM 397 CB VAL A 26 -4.587 -2.925 -0.587 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.305 -4.299 -1.195 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.778 -1.863 -1.305 1.00 0.00 C ATOM 0 H VAL A 26 -6.380 -2.555 1.434 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.254 -1.814 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.292 -2.969 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.237 -4.509 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.854 -5.061 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.623 -4.308 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.721 -2.126 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.102 -1.799 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.929 -0.900 -0.818 1.00 0.00 H new ATOM 409 N ILE A 27 -7.224 -3.944 -2.245 1.00 0.00 N ATOM 410 CA ILE A 27 -7.917 -5.114 -2.714 1.00 0.00 C ATOM 411 C ILE A 27 -6.906 -5.996 -3.396 1.00 0.00 C ATOM 412 O ILE A 27 -6.339 -5.622 -4.419 1.00 0.00 O ATOM 413 CB ILE A 27 -9.048 -4.775 -3.714 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.085 -3.853 -3.062 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.713 -6.057 -4.219 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.808 -4.472 -1.888 1.00 0.00 C ATOM 0 H ILE A 27 -6.982 -3.276 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.383 -5.607 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.612 -4.252 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.588 -2.942 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.818 -3.560 -3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.507 -5.803 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.971 -6.679 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.136 -6.604 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.524 -3.756 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.336 -5.367 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.086 -4.740 -1.116 1.00 0.00 H new ATOM 428 N GLY A 28 -6.669 -7.156 -2.845 1.00 0.00 N ATOM 429 CA GLY A 28 -5.676 -8.015 -3.387 1.00 0.00 C ATOM 430 C GLY A 28 -6.203 -8.815 -4.541 1.00 0.00 C ATOM 431 O GLY A 28 -7.408 -8.895 -4.758 1.00 0.00 O ATOM 0 H GLY A 28 -7.153 -7.519 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.822 -7.422 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.316 -8.690 -2.611 1.00 0.00 H new ATOM 435 N GLN A 29 -5.306 -9.427 -5.265 1.00 0.00 N ATOM 436 CA GLN A 29 -5.645 -10.277 -6.406 1.00 0.00 C ATOM 437 C GLN A 29 -6.501 -11.466 -5.969 1.00 0.00 C ATOM 438 O GLN A 29 -7.230 -12.056 -6.759 1.00 0.00 O ATOM 439 CB GLN A 29 -4.361 -10.765 -7.112 1.00 0.00 C ATOM 440 CG GLN A 29 -3.087 -10.521 -6.302 1.00 0.00 C ATOM 441 CD GLN A 29 -3.112 -11.227 -4.961 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.581 -12.348 -4.847 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.694 -10.537 -3.928 1.00 0.00 N ATOM 0 H GLN A 29 -4.304 -9.358 -5.089 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.228 -9.684 -7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.452 -11.832 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.272 -10.261 -8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.225 -10.863 -6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.960 -9.450 -6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.308 -9.603 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.755 -10.935 -2.991 1.00 0.00 H new ATOM 452 N ASP A 30 -6.401 -11.811 -4.696 1.00 0.00 N ATOM 453 CA ASP A 30 -7.174 -12.903 -4.129 1.00 0.00 C ATOM 454 C ASP A 30 -8.332 -12.336 -3.309 1.00 0.00 C ATOM 455 O ASP A 30 -8.944 -13.029 -2.501 1.00 0.00 O ATOM 456 CB ASP A 30 -6.273 -13.779 -3.252 1.00 0.00 C ATOM 457 CG ASP A 30 -6.848 -15.162 -3.019 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.760 -16.004 -3.933 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.379 -15.420 -1.919 1.00 0.00 O ATOM 0 H ASP A 30 -5.785 -11.345 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.579 -13.519 -4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.294 -13.872 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.119 -13.287 -2.291 1.00 0.00 H new ATOM 464 N SER A 31 -8.610 -11.041 -3.522 1.00 0.00 N ATOM 465 CA SER A 31 -9.693 -10.313 -2.839 1.00 0.00 C ATOM 466 C SER A 31 -9.335 -10.035 -1.378 1.00 0.00 C ATOM 467 O SER A 31 -10.194 -9.700 -0.562 1.00 0.00 O ATOM 468 CB SER A 31 -11.031 -11.073 -2.948 1.00 0.00 C ATOM 469 OG SER A 31 -12.100 -10.322 -2.393 1.00 0.00 O ATOM 0 H SER A 31 -8.085 -10.463 -4.179 1.00 0.00 H new ATOM 0 HA SER A 31 -9.815 -9.353 -3.341 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.243 -11.291 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.951 -12.030 -2.433 1.00 0.00 H new ATOM 0 HG SER A 31 -11.806 -9.904 -1.557 1.00 0.00 H new ATOM 475 N SER A 32 -8.059 -10.152 -1.059 1.00 0.00 N ATOM 476 CA SER A 32 -7.579 -9.907 0.285 1.00 0.00 C ATOM 477 C SER A 32 -7.589 -8.408 0.573 1.00 0.00 C ATOM 478 O SER A 32 -6.836 -7.646 -0.032 1.00 0.00 O ATOM 479 CB SER A 32 -6.161 -10.467 0.446 1.00 0.00 C ATOM 480 OG SER A 32 -5.757 -10.470 1.806 1.00 0.00 O ATOM 0 H SER A 32 -7.331 -10.418 -1.722 1.00 0.00 H new ATOM 0 HA SER A 32 -8.236 -10.408 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.122 -11.482 0.051 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.463 -9.870 -0.141 1.00 0.00 H new ATOM 0 HG SER A 32 -4.850 -10.834 1.877 1.00 0.00 H new ATOM 486 N GLU A 33 -8.464 -7.979 1.464 1.00 0.00 N ATOM 487 CA GLU A 33 -8.557 -6.576 1.818 1.00 0.00 C ATOM 488 C GLU A 33 -7.609 -6.246 2.953 1.00 0.00 C ATOM 489 O GLU A 33 -7.821 -6.640 4.101 1.00 0.00 O ATOM 490 CB GLU A 33 -9.981 -6.213 2.218 1.00 0.00 C ATOM 491 CG GLU A 33 -11.014 -6.462 1.132 1.00 0.00 C ATOM 492 CD GLU A 33 -12.406 -6.054 1.554 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.672 -4.836 1.644 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.242 -6.941 1.805 1.00 0.00 O ATOM 0 H GLU A 33 -9.121 -8.584 1.956 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.277 -5.992 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.255 -6.786 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.011 -5.160 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.733 -5.910 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.013 -7.520 0.869 1.00 0.00 H new ATOM 501 N ILE A 34 -6.565 -5.525 2.640 1.00 0.00 N ATOM 502 CA ILE A 34 -5.583 -5.134 3.630 1.00 0.00 C ATOM 503 C ILE A 34 -5.874 -3.710 4.091 1.00 0.00 C ATOM 504 O ILE A 34 -6.195 -2.846 3.279 1.00 0.00 O ATOM 505 CB ILE A 34 -4.145 -5.204 3.052 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.899 -6.562 2.373 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.113 -4.966 4.151 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.936 -7.743 3.321 1.00 0.00 C ATOM 0 H ILE A 34 -6.367 -5.191 1.697 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.648 -5.824 4.471 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.041 -4.419 2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.650 -6.709 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.928 -6.538 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.111 -5.019 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.270 -3.981 4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.221 -5.728 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.754 -8.662 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.167 -7.622 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.915 -7.796 3.798 1.00 0.00 H new ATOM 520 N HIS A 35 -5.783 -3.463 5.388 1.00 0.00 N ATOM 521 CA HIS A 35 -6.044 -2.135 5.937 1.00 0.00 C ATOM 522 C HIS A 35 -4.772 -1.585 6.553 1.00 0.00 C ATOM 523 O HIS A 35 -4.082 -2.284 7.291 1.00 0.00 O ATOM 524 CB HIS A 35 -7.144 -2.183 7.010 1.00 0.00 C ATOM 525 CG HIS A 35 -8.516 -2.519 6.502 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.663 -1.996 7.052 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.926 -3.349 5.514 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.714 -2.488 6.432 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.295 -3.314 5.493 1.00 0.00 N ATOM 0 H HIS A 35 -5.530 -4.164 6.084 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.381 -1.491 5.125 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.863 -2.918 7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.185 -1.215 7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.291 -3.931 4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.745 -2.255 6.654 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.893 -3.840 4.856 1.00 0.00 H new ATOM 538 N PHE A 36 -4.451 -0.348 6.248 1.00 0.00 N ATOM 539 CA PHE A 36 -3.232 0.272 6.756 1.00 0.00 C ATOM 540 C PHE A 36 -3.414 1.769 6.973 1.00 0.00 C ATOM 541 O PHE A 36 -4.373 2.375 6.480 1.00 0.00 O ATOM 542 CB PHE A 36 -2.064 0.005 5.793 1.00 0.00 C ATOM 543 CG PHE A 36 -2.498 -0.090 4.365 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.794 1.042 3.640 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.636 -1.326 3.757 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.216 0.945 2.336 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.058 -1.423 2.456 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.348 -0.288 1.746 1.00 0.00 C ATOM 0 H PHE A 36 -5.014 0.256 5.649 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.005 -0.175 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.328 0.803 5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.568 -0.922 6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.694 2.014 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.409 -2.223 4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.444 1.839 1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.162 -2.393 1.992 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.681 -0.363 0.721 1.00 0.00 H new ATOM 558 N LYS A 37 -2.491 2.366 7.706 1.00 0.00 N ATOM 559 CA LYS A 37 -2.535 3.791 7.989 1.00 0.00 C ATOM 560 C LYS A 37 -1.286 4.493 7.455 1.00 0.00 C ATOM 561 O LYS A 37 -0.154 4.106 7.763 1.00 0.00 O ATOM 562 CB LYS A 37 -2.694 4.049 9.501 1.00 0.00 C ATOM 563 CG LYS A 37 -1.571 3.476 10.361 1.00 0.00 C ATOM 564 CD LYS A 37 -1.678 3.933 11.814 1.00 0.00 C ATOM 565 CE LYS A 37 -2.919 3.375 12.499 1.00 0.00 C ATOM 566 NZ LYS A 37 -2.890 1.893 12.583 1.00 0.00 N ATOM 0 H LYS A 37 -1.695 1.881 8.120 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.405 4.205 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.751 5.124 9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.641 3.624 9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.601 2.387 10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.608 3.784 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.789 3.616 12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.703 5.022 11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.998 3.793 13.502 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.807 3.690 11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.639 1.567 13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.045 1.489 11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.965 1.584 12.944 1.00 0.00 H new ATOM 580 N VAL A 38 -1.491 5.513 6.640 1.00 0.00 N ATOM 581 CA VAL A 38 -0.393 6.289 6.078 1.00 0.00 C ATOM 582 C VAL A 38 -0.769 7.768 6.057 1.00 0.00 C ATOM 583 O VAL A 38 -1.938 8.117 6.041 1.00 0.00 O ATOM 584 CB VAL A 38 -0.003 5.827 4.640 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.453 4.372 4.628 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.152 6.026 3.674 1.00 0.00 C ATOM 0 H VAL A 38 -2.417 5.827 6.349 1.00 0.00 H new ATOM 0 HA VAL A 38 0.476 6.126 6.715 1.00 0.00 H new ATOM 0 HB VAL A 38 0.833 6.447 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.717 4.082 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.322 4.258 5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.354 3.735 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.852 5.696 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.012 5.444 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.420 7.082 3.640 1.00 0.00 H new ATOM 596 N LYS A 39 0.208 8.635 6.073 1.00 0.00 N ATOM 597 CA LYS A 39 -0.054 10.061 6.098 1.00 0.00 C ATOM 598 C LYS A 39 -0.207 10.630 4.676 1.00 0.00 C ATOM 599 O LYS A 39 0.223 10.017 3.702 1.00 0.00 O ATOM 600 CB LYS A 39 1.058 10.764 6.857 1.00 0.00 C ATOM 601 CG LYS A 39 0.799 12.220 7.119 1.00 0.00 C ATOM 602 CD LYS A 39 1.907 12.827 7.930 1.00 0.00 C ATOM 603 CE LYS A 39 1.756 14.321 8.010 1.00 0.00 C ATOM 604 NZ LYS A 39 2.857 14.952 8.775 1.00 0.00 N ATOM 0 H LYS A 39 1.197 8.384 6.069 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.000 10.236 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.210 10.256 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.986 10.667 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.703 12.752 6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.148 12.335 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.903 12.403 8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.869 12.578 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.730 14.737 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.803 14.564 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.713 15.982 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.867 14.575 9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.765 14.743 8.313 1.00 0.00 H new ATOM 618 N MET A 40 -0.791 11.831 4.555 1.00 0.00 N ATOM 619 CA MET A 40 -1.059 12.466 3.246 1.00 0.00 C ATOM 620 C MET A 40 0.192 13.099 2.644 1.00 0.00 C ATOM 621 O MET A 40 0.110 13.886 1.716 1.00 0.00 O ATOM 622 CB MET A 40 -2.134 13.549 3.400 1.00 0.00 C ATOM 623 CG MET A 40 -3.535 13.012 3.618 1.00 0.00 C ATOM 624 SD MET A 40 -4.578 13.104 2.141 1.00 0.00 S ATOM 625 CE MET A 40 -3.633 12.138 0.968 1.00 0.00 C ATOM 0 H MET A 40 -1.091 12.391 5.353 1.00 0.00 H new ATOM 0 HA MET A 40 -1.401 11.679 2.574 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.869 14.191 4.240 1.00 0.00 H new ATOM 0 HB3 MET A 40 -2.132 14.175 2.508 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.472 11.974 3.945 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.009 13.572 4.424 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.140 12.140 0.003 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.639 12.572 0.856 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.543 11.113 1.329 1.00 0.00 H new ATOM 635 N THR A 41 1.343 12.753 3.159 1.00 0.00 N ATOM 636 CA THR A 41 2.579 13.351 2.690 1.00 0.00 C ATOM 637 C THR A 41 3.675 12.301 2.568 1.00 0.00 C ATOM 638 O THR A 41 4.817 12.607 2.222 1.00 0.00 O ATOM 639 CB THR A 41 3.042 14.497 3.617 1.00 0.00 C ATOM 640 OG1 THR A 41 4.168 15.173 3.048 1.00 0.00 O ATOM 641 CG2 THR A 41 3.417 13.965 4.984 1.00 0.00 C ATOM 0 H THR A 41 1.457 12.063 3.901 1.00 0.00 H new ATOM 0 HA THR A 41 2.383 13.772 1.704 1.00 0.00 H new ATOM 0 HB THR A 41 2.213 15.197 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.759 14.520 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.740 14.790 5.619 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.553 13.477 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.229 13.245 4.884 1.00 0.00 H new ATOM 649 N THR A 42 3.325 11.056 2.828 1.00 0.00 N ATOM 650 CA THR A 42 4.299 9.996 2.841 1.00 0.00 C ATOM 651 C THR A 42 4.309 9.270 1.504 1.00 0.00 C ATOM 652 O THR A 42 3.401 9.440 0.682 1.00 0.00 O ATOM 653 CB THR A 42 4.028 8.998 3.998 1.00 0.00 C ATOM 654 OG1 THR A 42 5.166 8.150 4.197 1.00 0.00 O ATOM 655 CG2 THR A 42 2.809 8.134 3.705 1.00 0.00 C ATOM 0 H THR A 42 2.371 10.759 3.033 1.00 0.00 H new ATOM 0 HA THR A 42 5.280 10.442 3.006 1.00 0.00 H new ATOM 0 HB THR A 42 3.838 9.580 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.052 7.638 5.025 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.644 7.445 4.533 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.933 8.771 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.976 7.567 2.789 1.00 0.00 H new ATOM 663 N HIS A 43 5.328 8.473 1.276 1.00 0.00 N ATOM 664 CA HIS A 43 5.457 7.750 0.033 1.00 0.00 C ATOM 665 C HIS A 43 4.673 6.449 0.068 1.00 0.00 C ATOM 666 O HIS A 43 4.589 5.775 1.097 1.00 0.00 O ATOM 667 CB HIS A 43 6.925 7.461 -0.290 1.00 0.00 C ATOM 668 CG HIS A 43 7.728 8.661 -0.704 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.102 8.647 -0.800 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.345 9.911 -1.056 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.526 9.834 -1.188 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.480 10.619 -1.351 1.00 0.00 N ATOM 0 H HIS A 43 6.084 8.309 1.941 1.00 0.00 H new ATOM 0 HA HIS A 43 5.045 8.385 -0.752 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.394 7.013 0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.968 6.720 -1.088 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.331 10.282 -1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.557 10.115 -1.346 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.511 11.594 -1.648 1.00 0.00 H new ATOM 681 N LEU A 44 4.107 6.099 -1.069 1.00 0.00 N ATOM 682 CA LEU A 44 3.334 4.872 -1.230 1.00 0.00 C ATOM 683 C LEU A 44 4.213 3.648 -1.072 1.00 0.00 C ATOM 684 O LEU A 44 3.719 2.541 -0.899 1.00 0.00 O ATOM 685 CB LEU A 44 2.668 4.847 -2.609 1.00 0.00 C ATOM 686 CG LEU A 44 1.145 5.018 -2.639 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.456 3.805 -2.058 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.729 6.261 -1.894 1.00 0.00 C ATOM 0 H LEU A 44 4.168 6.660 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 44 2.569 4.853 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.111 5.636 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.914 3.900 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 44 0.841 5.122 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.624 3.950 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.721 2.922 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.773 3.667 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.356 6.360 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.053 6.189 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.189 7.134 -2.357 1.00 0.00 H new ATOM 700 N LYS A 45 5.529 3.854 -1.131 1.00 0.00 N ATOM 701 CA LYS A 45 6.499 2.773 -1.007 1.00 0.00 C ATOM 702 C LYS A 45 6.252 1.929 0.244 1.00 0.00 C ATOM 703 O LYS A 45 6.182 0.712 0.165 1.00 0.00 O ATOM 704 CB LYS A 45 7.929 3.330 -1.033 1.00 0.00 C ATOM 705 CG LYS A 45 8.201 4.425 -0.010 1.00 0.00 C ATOM 706 CD LYS A 45 9.048 3.926 1.151 1.00 0.00 C ATOM 707 CE LYS A 45 10.450 3.554 0.697 1.00 0.00 C ATOM 708 NZ LYS A 45 11.304 3.124 1.827 1.00 0.00 N ATOM 0 H LYS A 45 5.949 4.774 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 45 6.374 2.112 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.627 2.511 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.134 3.722 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.709 5.257 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.254 4.808 0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.106 4.697 1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.569 3.059 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.392 2.752 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.909 4.409 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.251 2.880 1.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.382 3.898 2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.880 2.292 2.285 1.00 0.00 H new ATOM 722 N LYS A 46 6.073 2.578 1.389 1.00 0.00 N ATOM 723 CA LYS A 46 5.832 1.861 2.637 1.00 0.00 C ATOM 724 C LYS A 46 4.497 1.159 2.605 1.00 0.00 C ATOM 725 O LYS A 46 4.334 0.110 3.181 1.00 0.00 O ATOM 726 CB LYS A 46 5.904 2.807 3.844 1.00 0.00 C ATOM 727 CG LYS A 46 4.923 3.973 3.783 1.00 0.00 C ATOM 728 CD LYS A 46 4.808 4.687 5.122 1.00 0.00 C ATOM 729 CE LYS A 46 4.165 3.792 6.175 1.00 0.00 C ATOM 730 NZ LYS A 46 3.953 4.502 7.458 1.00 0.00 N ATOM 0 H LYS A 46 6.090 3.594 1.480 1.00 0.00 H new ATOM 0 HA LYS A 46 6.617 1.112 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.715 2.235 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.917 3.202 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.247 4.681 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.942 3.607 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.798 4.994 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.216 5.594 5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.209 3.425 5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.797 2.920 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.514 3.855 8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.868 4.831 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.328 5.319 7.304 1.00 0.00 H new ATOM 744 N LEU A 47 3.552 1.734 1.908 1.00 0.00 N ATOM 745 CA LEU A 47 2.217 1.181 1.813 1.00 0.00 C ATOM 746 C LEU A 47 2.215 -0.088 0.958 1.00 0.00 C ATOM 747 O LEU A 47 1.694 -1.130 1.367 1.00 0.00 O ATOM 748 CB LEU A 47 1.283 2.249 1.225 1.00 0.00 C ATOM 749 CG LEU A 47 -0.220 1.945 1.221 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.013 3.240 1.113 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.590 1.012 0.071 1.00 0.00 C ATOM 0 H LEU A 47 3.682 2.601 1.387 1.00 0.00 H new ATOM 0 HA LEU A 47 1.863 0.900 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.438 3.175 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.592 2.438 0.197 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.467 1.446 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.079 3.015 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.779 3.882 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.749 3.752 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.662 0.814 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.327 1.481 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.045 0.073 0.174 1.00 0.00 H new ATOM 763 N LYS A 48 2.813 -0.001 -0.222 1.00 0.00 N ATOM 764 CA LYS A 48 2.849 -1.123 -1.149 1.00 0.00 C ATOM 765 C LYS A 48 3.600 -2.313 -0.563 1.00 0.00 C ATOM 766 O LYS A 48 3.164 -3.460 -0.686 1.00 0.00 O ATOM 767 CB LYS A 48 3.405 -0.696 -2.529 1.00 0.00 C ATOM 768 CG LYS A 48 4.649 0.174 -2.467 1.00 0.00 C ATOM 769 CD LYS A 48 4.859 0.980 -3.752 1.00 0.00 C ATOM 770 CE LYS A 48 5.453 0.143 -4.866 1.00 0.00 C ATOM 771 NZ LYS A 48 6.829 -0.325 -4.547 1.00 0.00 N ATOM 0 H LYS A 48 3.282 0.839 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 48 1.823 -1.453 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.632 -1.591 -3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.627 -0.157 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.570 0.857 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.521 -0.455 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.905 1.392 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.516 1.824 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.812 -0.719 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.474 0.728 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.103 -1.076 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.494 0.470 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.853 -0.698 -3.576 1.00 0.00 H new ATOM 785 N GLU A 49 4.704 -2.053 0.108 1.00 0.00 N ATOM 786 CA GLU A 49 5.460 -3.126 0.736 1.00 0.00 C ATOM 787 C GLU A 49 4.713 -3.660 1.959 1.00 0.00 C ATOM 788 O GLU A 49 4.735 -4.859 2.245 1.00 0.00 O ATOM 789 CB GLU A 49 6.865 -2.664 1.129 1.00 0.00 C ATOM 790 CG GLU A 49 6.887 -1.451 2.036 1.00 0.00 C ATOM 791 CD GLU A 49 8.233 -1.232 2.680 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.764 -2.182 3.290 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.783 -0.120 2.566 1.00 0.00 O ATOM 0 H GLU A 49 5.097 -1.120 0.234 1.00 0.00 H new ATOM 0 HA GLU A 49 5.565 -3.930 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.380 -3.486 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.428 -2.437 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.616 -0.566 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.132 -1.569 2.813 1.00 0.00 H new ATOM 800 N SER A 50 4.012 -2.769 2.658 1.00 0.00 N ATOM 801 CA SER A 50 3.286 -3.128 3.866 1.00 0.00 C ATOM 802 C SER A 50 2.146 -4.097 3.588 1.00 0.00 C ATOM 803 O SER A 50 1.961 -5.079 4.312 1.00 0.00 O ATOM 804 CB SER A 50 2.772 -1.878 4.577 1.00 0.00 C ATOM 805 OG SER A 50 3.797 -1.274 5.335 1.00 0.00 O ATOM 0 H SER A 50 3.934 -1.785 2.402 1.00 0.00 H new ATOM 0 HA SER A 50 3.989 -3.642 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.390 -1.168 3.843 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.939 -2.142 5.229 1.00 0.00 H new ATOM 0 HG SER A 50 4.281 -0.630 4.776 1.00 0.00 H new ATOM 811 N TYR A 51 1.385 -3.861 2.536 1.00 0.00 N ATOM 812 CA TYR A 51 0.279 -4.744 2.251 1.00 0.00 C ATOM 813 C TYR A 51 0.789 -6.048 1.644 1.00 0.00 C ATOM 814 O TYR A 51 0.232 -7.118 1.892 1.00 0.00 O ATOM 815 CB TYR A 51 -0.781 -4.077 1.351 1.00 0.00 C ATOM 816 CG TYR A 51 -0.549 -4.237 -0.133 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.996 -5.369 -0.799 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.105 -3.267 -0.861 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.789 -5.529 -2.146 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.316 -3.416 -2.219 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.134 -4.553 -2.853 1.00 0.00 C ATOM 822 OH TYR A 51 0.078 -4.716 -4.197 1.00 0.00 O ATOM 0 H TYR A 51 1.509 -3.087 1.883 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.218 -4.972 3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.758 -4.492 1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.818 -3.013 1.585 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.516 -6.138 -0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.458 -2.376 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.140 -6.419 -2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.829 -2.648 -2.778 1.00 0.00 H new ATOM 0 HH TYR A 51 1.031 -4.878 -4.361 1.00 0.00 H new ATOM 832 N CYS A 52 1.879 -5.971 0.863 1.00 0.00 N ATOM 833 CA CYS A 52 2.447 -7.163 0.246 1.00 0.00 C ATOM 834 C CYS A 52 2.919 -8.135 1.302 1.00 0.00 C ATOM 835 O CYS A 52 2.643 -9.339 1.234 1.00 0.00 O ATOM 836 CB CYS A 52 3.606 -6.806 -0.679 1.00 0.00 C ATOM 837 SG CYS A 52 3.117 -5.906 -2.165 1.00 0.00 S ATOM 0 H CYS A 52 2.373 -5.104 0.651 1.00 0.00 H new ATOM 0 HA CYS A 52 1.662 -7.633 -0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.327 -6.205 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.116 -7.723 -0.975 1.00 0.00 H new ATOM 0 HG CYS A 52 2.975 -4.645 -1.882 1.00 0.00 H new ATOM 843 N GLN A 53 3.607 -7.613 2.308 1.00 0.00 N ATOM 844 CA GLN A 53 4.126 -8.449 3.364 1.00 0.00 C ATOM 845 C GLN A 53 2.988 -9.037 4.188 1.00 0.00 C ATOM 846 O GLN A 53 3.080 -10.162 4.663 1.00 0.00 O ATOM 847 CB GLN A 53 5.110 -7.683 4.258 1.00 0.00 C ATOM 848 CG GLN A 53 4.497 -6.503 4.986 1.00 0.00 C ATOM 849 CD GLN A 53 5.475 -5.793 5.890 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.676 -5.757 5.629 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.967 -5.221 6.964 1.00 0.00 N ATOM 0 H GLN A 53 3.814 -6.619 2.409 1.00 0.00 H new ATOM 0 HA GLN A 53 4.676 -9.268 2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.528 -8.371 4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.939 -7.328 3.646 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.107 -5.795 4.255 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.649 -6.849 5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.964 -5.274 7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.577 -4.725 7.615 1.00 0.00 H new ATOM 860 N ARG A 54 1.899 -8.267 4.368 1.00 0.00 N ATOM 861 CA ARG A 54 0.727 -8.757 5.094 1.00 0.00 C ATOM 862 C ARG A 54 0.191 -10.039 4.474 1.00 0.00 C ATOM 863 O ARG A 54 -0.147 -10.991 5.177 1.00 0.00 O ATOM 864 CB ARG A 54 -0.371 -7.689 5.109 1.00 0.00 C ATOM 865 CG ARG A 54 -0.099 -6.515 6.045 1.00 0.00 C ATOM 866 CD ARG A 54 -0.483 -6.831 7.485 1.00 0.00 C ATOM 867 NE ARG A 54 0.373 -7.853 8.102 1.00 0.00 N ATOM 868 CZ ARG A 54 0.023 -8.562 9.185 1.00 0.00 C ATOM 869 NH1 ARG A 54 -1.167 -8.378 9.747 1.00 0.00 N ATOM 870 NH2 ARG A 54 0.863 -9.452 9.699 1.00 0.00 N ATOM 0 H ARG A 54 1.812 -7.312 4.021 1.00 0.00 H new ATOM 0 HA ARG A 54 1.034 -8.974 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.503 -7.307 4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.312 -8.157 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.958 -6.254 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.657 -5.643 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.431 -5.917 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.519 -7.169 7.512 1.00 0.00 H new ATOM 0 HE ARG A 54 1.285 -8.034 7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.816 -7.696 9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.431 -8.918 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.777 -9.598 9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.595 -9.990 10.523 1.00 0.00 H new ATOM 884 N GLN A 55 0.128 -10.072 3.154 1.00 0.00 N ATOM 885 CA GLN A 55 -0.359 -11.244 2.439 1.00 0.00 C ATOM 886 C GLN A 55 0.669 -12.364 2.468 1.00 0.00 C ATOM 887 O GLN A 55 0.340 -13.533 2.282 1.00 0.00 O ATOM 888 CB GLN A 55 -0.667 -10.882 0.999 1.00 0.00 C ATOM 889 CG GLN A 55 -1.823 -9.917 0.840 1.00 0.00 C ATOM 890 CD GLN A 55 -1.645 -8.995 -0.347 1.00 0.00 C ATOM 891 OE1 GLN A 55 -2.609 -8.626 -1.017 1.00 0.00 O ATOM 892 NE2 GLN A 55 -0.413 -8.589 -0.592 1.00 0.00 N ATOM 0 H GLN A 55 0.409 -9.298 2.552 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.267 -11.589 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.223 -10.444 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.890 -11.794 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.749 -10.480 0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.923 -9.322 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.358 -8.920 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.232 -7.945 -1.362 1.00 0.00 H new ATOM 901 N GLY A 56 1.921 -12.006 2.700 1.00 0.00 N ATOM 902 CA GLY A 56 2.974 -12.993 2.759 1.00 0.00 C ATOM 903 C GLY A 56 3.517 -13.333 1.390 1.00 0.00 C ATOM 904 O GLY A 56 4.010 -14.433 1.165 1.00 0.00 O ATOM 0 H GLY A 56 2.227 -11.044 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.784 -12.621 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.594 -13.899 3.232 1.00 0.00 H new ATOM 908 N VAL A 57 3.441 -12.385 0.465 1.00 0.00 N ATOM 909 CA VAL A 57 3.907 -12.611 -0.894 1.00 0.00 C ATOM 910 C VAL A 57 4.854 -11.502 -1.331 1.00 0.00 C ATOM 911 O VAL A 57 4.755 -10.368 -0.851 1.00 0.00 O ATOM 912 CB VAL A 57 2.728 -12.699 -1.908 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.779 -13.830 -1.544 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.978 -11.373 -1.996 1.00 0.00 C ATOM 0 H VAL A 57 3.061 -11.453 0.632 1.00 0.00 H new ATOM 0 HA VAL A 57 4.433 -13.566 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 57 3.151 -12.913 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.965 -13.869 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.320 -14.776 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.371 -13.656 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.161 -11.464 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.576 -11.117 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.661 -10.590 -2.324 1.00 0.00 H new ATOM 924 N PRO A 58 5.807 -11.819 -2.219 1.00 0.00 N ATOM 925 CA PRO A 58 6.729 -10.828 -2.755 1.00 0.00 C ATOM 926 C PRO A 58 5.999 -9.784 -3.605 1.00 0.00 C ATOM 927 O PRO A 58 4.943 -10.055 -4.194 1.00 0.00 O ATOM 928 CB PRO A 58 7.698 -11.648 -3.611 1.00 0.00 C ATOM 929 CG PRO A 58 6.976 -12.914 -3.914 1.00 0.00 C ATOM 930 CD PRO A 58 6.065 -13.167 -2.751 1.00 0.00 C ATOM 0 HA PRO A 58 7.232 -10.265 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.962 -11.117 -4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.627 -11.843 -3.076 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.409 -12.826 -4.840 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.676 -13.739 -4.046 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.144 -13.659 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.534 -13.810 -2.006 1.00 0.00 H new ATOM 938 N MET A 59 6.576 -8.603 -3.692 1.00 0.00 N ATOM 939 CA MET A 59 5.964 -7.481 -4.397 1.00 0.00 C ATOM 940 C MET A 59 6.062 -7.652 -5.905 1.00 0.00 C ATOM 941 O MET A 59 5.469 -6.898 -6.664 1.00 0.00 O ATOM 942 CB MET A 59 6.637 -6.175 -3.982 1.00 0.00 C ATOM 943 CG MET A 59 6.652 -5.952 -2.482 1.00 0.00 C ATOM 944 SD MET A 59 7.491 -4.429 -2.003 1.00 0.00 S ATOM 945 CE MET A 59 6.410 -3.202 -2.730 1.00 0.00 C ATOM 0 H MET A 59 7.483 -8.388 -3.278 1.00 0.00 H new ATOM 0 HA MET A 59 4.908 -7.452 -4.127 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.662 -6.170 -4.352 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.122 -5.342 -4.460 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.626 -5.926 -2.114 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.143 -6.797 -2.000 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.344 -2.338 -2.069 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.810 -2.891 -3.695 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.417 -3.629 -2.869 1.00 0.00 H new ATOM 955 N ASN A 60 6.808 -8.645 -6.338 1.00 0.00 N ATOM 956 CA ASN A 60 7.013 -8.891 -7.757 1.00 0.00 C ATOM 957 C ASN A 60 5.961 -9.845 -8.320 1.00 0.00 C ATOM 958 O ASN A 60 5.828 -10.000 -9.533 1.00 0.00 O ATOM 959 CB ASN A 60 8.425 -9.441 -8.004 1.00 0.00 C ATOM 960 CG ASN A 60 8.750 -10.650 -7.136 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.876 -11.438 -6.789 1.00 0.00 O ATOM 962 ND2 ASN A 60 10.001 -10.792 -6.770 1.00 0.00 N ATOM 0 H ASN A 60 7.289 -9.303 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 60 6.908 -7.940 -8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.524 -9.717 -9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.155 -8.655 -7.811 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.273 -11.577 -6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.702 -10.118 -7.077 1.00 0.00 H new ATOM 969 N SER A 61 5.212 -10.481 -7.441 1.00 0.00 N ATOM 970 CA SER A 61 4.188 -11.427 -7.850 1.00 0.00 C ATOM 971 C SER A 61 2.886 -10.716 -8.199 1.00 0.00 C ATOM 972 O SER A 61 2.033 -11.254 -8.919 1.00 0.00 O ATOM 973 CB SER A 61 3.940 -12.427 -6.732 1.00 0.00 C ATOM 974 OG SER A 61 5.107 -13.168 -6.438 1.00 0.00 O ATOM 0 H SER A 61 5.293 -10.360 -6.431 1.00 0.00 H new ATOM 0 HA SER A 61 4.541 -11.947 -8.741 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.606 -11.901 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.138 -13.107 -7.020 1.00 0.00 H new ATOM 0 HG SER A 61 4.895 -13.866 -5.783 1.00 0.00 H new ATOM 980 N LEU A 62 2.723 -9.517 -7.700 1.00 0.00 N ATOM 981 CA LEU A 62 1.503 -8.778 -7.910 1.00 0.00 C ATOM 982 C LEU A 62 1.754 -7.359 -8.412 1.00 0.00 C ATOM 983 O LEU A 62 2.890 -6.896 -8.486 1.00 0.00 O ATOM 984 CB LEU A 62 0.654 -8.786 -6.631 1.00 0.00 C ATOM 985 CG LEU A 62 1.412 -8.615 -5.308 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.949 -7.203 -5.153 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.518 -8.987 -4.140 1.00 0.00 C ATOM 0 H LEU A 62 3.424 -9.029 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 62 0.946 -9.280 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.085 -7.989 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.105 -9.727 -6.591 1.00 0.00 H new ATOM 0 HG LEU A 62 2.269 -9.288 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.480 -7.118 -4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.632 -6.982 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.121 -6.495 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.067 -8.861 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.360 -8.341 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.204 -10.026 -4.239 1.00 0.00 H new ATOM 999 N ARG A 63 0.679 -6.681 -8.759 1.00 0.00 N ATOM 1000 CA ARG A 63 0.759 -5.322 -9.262 1.00 0.00 C ATOM 1001 C ARG A 63 -0.181 -4.399 -8.529 1.00 0.00 C ATOM 1002 O ARG A 63 -1.355 -4.704 -8.333 1.00 0.00 O ATOM 1003 CB ARG A 63 0.544 -5.248 -10.767 1.00 0.00 C ATOM 1004 CG ARG A 63 -0.188 -6.423 -11.364 1.00 0.00 C ATOM 1005 CD ARG A 63 -0.141 -6.354 -12.869 1.00 0.00 C ATOM 1006 NE ARG A 63 1.239 -6.332 -13.366 1.00 0.00 N ATOM 1007 CZ ARG A 63 1.582 -6.238 -14.653 1.00 0.00 C ATOM 1008 NH1 ARG A 63 0.647 -6.180 -15.592 1.00 0.00 N ATOM 1009 NH2 ARG A 63 2.864 -6.205 -14.992 1.00 0.00 N ATOM 0 H ARG A 63 -0.269 -7.052 -8.701 1.00 0.00 H new ATOM 0 HA ARG A 63 1.776 -4.980 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.012 -4.339 -10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.515 -5.159 -11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.263 -7.354 -11.021 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.224 -6.426 -11.025 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.666 -7.212 -13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.665 -5.461 -13.209 1.00 0.00 H new ATOM 0 HE ARG A 63 1.991 -6.393 -12.679 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.339 -6.207 -15.332 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.914 -6.108 -16.574 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.584 -6.251 -14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.130 -6.133 -15.974 1.00 0.00 H new ATOM 1023 N PHE A 64 0.346 -3.265 -8.133 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.382 -2.267 -7.370 1.00 0.00 C ATOM 1025 C PHE A 64 -0.703 -1.054 -8.235 1.00 0.00 C ATOM 1026 O PHE A 64 0.198 -0.396 -8.769 1.00 0.00 O ATOM 1027 CB PHE A 64 0.454 -1.846 -6.139 1.00 0.00 C ATOM 1028 CG PHE A 64 1.943 -2.096 -6.297 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.676 -1.446 -7.282 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.600 -2.995 -5.469 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.026 -1.691 -7.437 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.950 -3.242 -5.618 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.665 -2.590 -6.604 1.00 0.00 C ATOM 0 H PHE A 64 1.311 -3.001 -8.333 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.325 -2.699 -7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.291 -0.786 -5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.095 -2.388 -5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.184 -0.740 -7.935 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.047 -3.509 -4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.582 -1.180 -8.209 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.447 -3.944 -4.965 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.721 -2.782 -6.724 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.982 -0.752 -8.388 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.390 0.384 -9.185 1.00 0.00 C ATOM 1045 C LEU A 65 -3.640 1.047 -8.603 1.00 0.00 C ATOM 1046 O LEU A 65 -4.344 0.474 -7.777 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.594 -0.019 -10.687 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.894 -0.761 -11.083 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.195 -1.893 -10.139 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.072 0.203 -11.194 1.00 0.00 C ATOM 0 H LEU A 65 -2.750 -1.278 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.586 1.120 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.536 0.890 -11.285 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.752 -0.647 -10.979 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.733 -1.197 -12.069 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.114 -2.390 -10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.373 -2.608 -10.155 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.317 -1.502 -9.129 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.969 -0.349 -11.473 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.232 0.694 -10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.857 0.954 -11.954 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.906 2.251 -9.036 1.00 0.00 N ATOM 1063 CA PHE A 66 -5.067 2.990 -8.603 1.00 0.00 C ATOM 1064 C PHE A 66 -5.564 3.845 -9.742 1.00 0.00 C ATOM 1065 O PHE A 66 -4.770 4.465 -10.432 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.724 3.864 -7.399 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.834 4.771 -6.969 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.938 4.266 -6.314 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.766 6.129 -7.213 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.957 5.099 -5.909 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.778 6.968 -6.815 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.878 6.455 -6.160 1.00 0.00 C ATOM 0 H PHE A 66 -3.320 2.752 -9.704 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.848 2.290 -8.305 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.449 3.221 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.848 4.467 -7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.004 3.206 -6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.906 6.536 -7.723 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.816 4.693 -5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.713 8.027 -7.015 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.675 7.112 -5.844 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.889 3.852 -9.952 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.558 4.638 -11.015 1.00 0.00 C ATOM 1084 C GLU A 67 -6.905 4.434 -12.394 1.00 0.00 C ATOM 1085 O GLU A 67 -6.959 5.307 -13.267 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.639 6.142 -10.662 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.313 6.867 -10.661 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.469 8.366 -10.722 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.964 8.959 -9.744 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.112 8.960 -11.760 1.00 0.00 O ATOM 0 H GLU A 67 -7.539 3.308 -9.385 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.577 4.255 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.304 6.632 -11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.094 6.245 -9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.758 6.600 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.720 6.533 -11.512 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.317 3.271 -12.597 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.679 2.966 -13.857 1.00 0.00 C ATOM 1099 C GLY A 68 -4.251 3.472 -13.935 1.00 0.00 C ATOM 1100 O GLY A 68 -3.710 3.670 -15.023 1.00 0.00 O ATOM 0 H GLY A 68 -6.269 2.524 -11.904 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.685 1.887 -14.009 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.259 3.406 -14.668 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.628 3.680 -12.790 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.250 4.146 -12.749 1.00 0.00 C ATOM 1106 C GLN A 69 -1.450 3.257 -11.813 1.00 0.00 C ATOM 1107 O GLN A 69 -1.915 2.918 -10.730 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.185 5.612 -12.268 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.915 5.762 -10.771 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.107 7.167 -10.264 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.192 7.984 -10.297 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.282 7.441 -9.752 1.00 0.00 N ATOM 0 H GLN A 69 -4.053 3.534 -11.874 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.828 4.097 -13.753 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.403 6.131 -12.822 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.127 6.105 -12.508 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.577 5.092 -10.222 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.894 5.445 -10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.014 6.731 -9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.465 8.365 -9.360 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.277 2.843 -12.223 1.00 0.00 N ATOM 1122 CA ARG A 70 0.561 2.021 -11.370 1.00 0.00 C ATOM 1123 C ARG A 70 1.133 2.857 -10.227 1.00 0.00 C ATOM 1124 O ARG A 70 1.373 4.065 -10.370 1.00 0.00 O ATOM 1125 CB ARG A 70 1.678 1.347 -12.195 1.00 0.00 C ATOM 1126 CG ARG A 70 2.709 2.307 -12.765 1.00 0.00 C ATOM 1127 CD ARG A 70 3.915 2.427 -11.851 1.00 0.00 C ATOM 1128 NE ARG A 70 4.787 3.528 -12.239 1.00 0.00 N ATOM 1129 CZ ARG A 70 6.090 3.576 -11.985 1.00 0.00 C ATOM 1130 NH1 ARG A 70 6.704 2.542 -11.413 1.00 0.00 N ATOM 1131 NH2 ARG A 70 6.788 4.653 -12.320 1.00 0.00 N ATOM 0 H ARG A 70 0.122 3.058 -13.137 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.048 1.229 -10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.188 0.619 -11.565 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.222 0.794 -13.016 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.028 1.960 -13.748 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.257 3.289 -12.905 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.579 2.575 -10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.479 1.494 -11.870 1.00 0.00 H new ATOM 0 HE ARG A 70 4.370 4.313 -12.738 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.174 1.706 -11.167 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.705 2.586 -11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.324 5.441 -12.771 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.789 4.693 -12.126 1.00 0.00 H new ATOM 1145 N ILE A 71 1.342 2.240 -9.093 1.00 0.00 N ATOM 1146 CA ILE A 71 1.834 2.952 -7.941 1.00 0.00 C ATOM 1147 C ILE A 71 3.351 2.829 -7.832 1.00 0.00 C ATOM 1148 O ILE A 71 3.893 1.729 -7.778 1.00 0.00 O ATOM 1149 CB ILE A 71 1.190 2.432 -6.641 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.340 2.303 -6.791 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.535 3.345 -5.491 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.040 3.579 -7.223 1.00 0.00 C ATOM 0 H ILE A 71 1.179 1.245 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 71 1.564 4.000 -8.074 1.00 0.00 H new ATOM 0 HB ILE A 71 1.589 1.439 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.556 1.521 -7.519 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.760 1.978 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.075 2.969 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.617 3.379 -5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.162 4.348 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.112 3.397 -7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.859 4.361 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.653 3.897 -8.191 1.00 0.00 H new ATOM 1164 N ALA A 72 4.037 3.962 -7.802 1.00 0.00 N ATOM 1165 CA ALA A 72 5.480 3.972 -7.694 1.00 0.00 C ATOM 1166 C ALA A 72 5.895 4.236 -6.260 1.00 0.00 C ATOM 1167 O ALA A 72 5.091 4.697 -5.447 1.00 0.00 O ATOM 1168 CB ALA A 72 6.068 5.024 -8.619 1.00 0.00 C ATOM 0 H ALA A 72 3.611 4.888 -7.851 1.00 0.00 H new ATOM 0 HA ALA A 72 5.862 2.996 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.154 5.022 -8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.789 4.800 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.683 6.006 -8.344 1.00 0.00 H new ATOM 1174 N ASP A 73 7.152 3.965 -5.947 1.00 0.00 N ATOM 1175 CA ASP A 73 7.675 4.161 -4.593 1.00 0.00 C ATOM 1176 C ASP A 73 7.664 5.629 -4.213 1.00 0.00 C ATOM 1177 O ASP A 73 7.533 5.983 -3.046 1.00 0.00 O ATOM 1178 CB ASP A 73 9.105 3.621 -4.480 1.00 0.00 C ATOM 1179 CG ASP A 73 9.207 2.154 -4.801 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.759 1.336 -3.989 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.731 1.816 -5.882 1.00 0.00 O ATOM 0 H ASP A 73 7.837 3.606 -6.612 1.00 0.00 H new ATOM 0 HA ASP A 73 7.027 3.612 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.753 4.181 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.473 3.792 -3.469 1.00 0.00 H new ATOM 1186 N ASN A 74 7.771 6.490 -5.207 1.00 0.00 N ATOM 1187 CA ASN A 74 7.830 7.929 -4.969 1.00 0.00 C ATOM 1188 C ASN A 74 6.456 8.536 -5.122 1.00 0.00 C ATOM 1189 O ASN A 74 6.287 9.750 -5.047 1.00 0.00 O ATOM 1190 CB ASN A 74 8.796 8.602 -5.948 1.00 0.00 C ATOM 1191 CG ASN A 74 10.038 7.784 -6.191 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.018 7.878 -5.454 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.008 6.978 -7.237 1.00 0.00 N ATOM 0 H ASN A 74 7.819 6.223 -6.190 1.00 0.00 H new ATOM 0 HA ASN A 74 8.189 8.091 -3.953 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.286 8.772 -6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.080 9.580 -5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.819 6.402 -7.460 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.173 6.932 -7.821 1.00 0.00 H new ATOM 1200 N HIS A 75 5.461 7.694 -5.317 1.00 0.00 N ATOM 1201 CA HIS A 75 4.100 8.172 -5.472 1.00 0.00 C ATOM 1202 C HIS A 75 3.490 8.401 -4.119 1.00 0.00 C ATOM 1203 O HIS A 75 3.734 7.649 -3.193 1.00 0.00 O ATOM 1204 CB HIS A 75 3.245 7.189 -6.279 1.00 0.00 C ATOM 1205 CG HIS A 75 3.165 7.519 -7.735 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.410 6.793 -8.642 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.731 8.520 -8.441 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.524 7.338 -9.837 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.319 8.384 -9.743 1.00 0.00 N ATOM 0 H HIS A 75 5.567 6.681 -5.372 1.00 0.00 H new ATOM 0 HA HIS A 75 4.130 9.111 -6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.655 6.186 -6.165 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.237 7.171 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.386 9.286 -8.053 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.047 6.987 -10.740 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.586 8.995 -10.515 1.00 0.00 H new ATOM 1218 N THR A 76 2.731 9.455 -3.984 1.00 0.00 N ATOM 1219 CA THR A 76 2.086 9.756 -2.715 1.00 0.00 C ATOM 1220 C THR A 76 0.576 9.765 -2.863 1.00 0.00 C ATOM 1221 O THR A 76 0.055 9.984 -3.963 1.00 0.00 O ATOM 1222 CB THR A 76 2.553 11.115 -2.152 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.182 12.163 -3.041 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.053 11.129 -1.974 1.00 0.00 C ATOM 0 H THR A 76 2.539 10.124 -4.730 1.00 0.00 H new ATOM 0 HA THR A 76 2.374 8.971 -2.016 1.00 0.00 H new ATOM 0 HB THR A 76 2.075 11.265 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.480 13.022 -2.676 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.363 12.095 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.344 10.340 -1.280 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.535 10.961 -2.937 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.157 9.528 -1.760 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.617 9.515 -1.777 1.00 0.00 C ATOM 1234 C PRO A 77 -2.178 10.869 -2.185 1.00 0.00 C ATOM 1235 O PRO A 77 -3.153 10.958 -2.919 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.999 9.202 -0.322 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.778 8.615 0.290 1.00 0.00 C ATOM 1238 CD PRO A 77 0.381 9.247 -0.414 1.00 0.00 C ATOM 0 HA PRO A 77 -2.013 8.795 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.308 10.104 0.206 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.835 8.504 -0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.742 8.818 1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.764 7.532 0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.709 10.158 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.241 8.578 -0.455 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.532 11.930 -1.729 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.969 13.286 -2.031 1.00 0.00 C ATOM 1248 C LYS A 78 -1.777 13.595 -3.513 1.00 0.00 C ATOM 1249 O LYS A 78 -2.587 14.285 -4.124 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.198 14.296 -1.189 1.00 0.00 C ATOM 1251 CG LYS A 78 0.293 14.216 -1.405 1.00 0.00 C ATOM 1252 CD LYS A 78 1.003 15.480 -0.991 1.00 0.00 C ATOM 1253 CE LYS A 78 2.367 15.528 -1.635 1.00 0.00 C ATOM 1254 NZ LYS A 78 3.112 16.766 -1.301 1.00 0.00 N ATOM 0 H LYS A 78 -0.698 11.879 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.029 13.361 -1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.542 15.302 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.418 14.127 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.695 13.375 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.495 14.017 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.419 16.351 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.100 15.516 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.947 14.662 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.257 15.455 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.041 16.749 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.575 17.594 -1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.243 16.825 -0.271 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.704 13.068 -4.093 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.410 13.298 -5.493 1.00 0.00 C ATOM 1270 C GLU A 79 -1.340 12.502 -6.380 1.00 0.00 C ATOM 1271 O GLU A 79 -1.852 13.004 -7.378 1.00 0.00 O ATOM 1272 CB GLU A 79 1.033 12.933 -5.807 1.00 0.00 C ATOM 1273 CG GLU A 79 2.025 14.041 -5.526 1.00 0.00 C ATOM 1274 CD GLU A 79 1.877 15.201 -6.478 1.00 0.00 C ATOM 1275 OE1 GLU A 79 2.509 15.173 -7.555 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.137 16.154 -6.159 1.00 0.00 O ATOM 0 H GLU A 79 -0.026 12.479 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.560 14.359 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.310 12.055 -5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.105 12.653 -6.858 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.891 14.394 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.038 13.644 -5.596 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.582 11.250 -6.007 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.434 10.378 -6.808 1.00 0.00 C ATOM 1285 C LEU A 80 -3.911 10.725 -6.623 1.00 0.00 C ATOM 1286 O LEU A 80 -4.780 10.180 -7.301 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.185 8.894 -6.482 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.718 8.419 -6.534 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.640 6.924 -6.783 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.075 9.172 -7.579 1.00 0.00 C ATOM 0 H LEU A 80 -1.204 10.819 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.173 10.543 -7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.574 8.693 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.765 8.289 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.274 8.631 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.405 6.615 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.151 6.394 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.118 6.688 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.103 8.810 -7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.373 9.013 -8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.067 10.237 -7.345 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.190 11.631 -5.702 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.552 12.066 -5.477 1.00 0.00 C ATOM 1304 C GLY A 81 -6.336 11.106 -4.622 1.00 0.00 C ATOM 1305 O GLY A 81 -7.459 10.738 -4.956 1.00 0.00 O ATOM 0 H GLY A 81 -3.495 12.076 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.542 13.046 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.054 12.184 -6.437 1.00 0.00 H new ATOM 1309 N MET A 82 -5.748 10.676 -3.528 1.00 0.00 N ATOM 1310 CA MET A 82 -6.404 9.776 -2.601 1.00 0.00 C ATOM 1311 C MET A 82 -6.804 10.528 -1.342 1.00 0.00 C ATOM 1312 O MET A 82 -6.319 11.636 -1.084 1.00 0.00 O ATOM 1313 CB MET A 82 -5.459 8.635 -2.223 1.00 0.00 C ATOM 1314 CG MET A 82 -4.991 7.794 -3.395 1.00 0.00 C ATOM 1315 SD MET A 82 -3.674 6.651 -2.935 1.00 0.00 S ATOM 1316 CE MET A 82 -3.316 5.897 -4.514 1.00 0.00 C ATOM 0 H MET A 82 -4.801 10.939 -3.254 1.00 0.00 H new ATOM 0 HA MET A 82 -7.294 9.369 -3.081 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.587 9.053 -1.721 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.961 7.987 -1.504 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.834 7.231 -3.795 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.639 8.449 -4.192 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.331 5.432 -4.480 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.067 5.139 -4.734 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.331 6.659 -5.293 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.676 9.934 -0.560 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.122 10.517 0.694 1.00 0.00 C ATOM 1328 C GLU A 83 -8.197 9.431 1.760 1.00 0.00 C ATOM 1329 O GLU A 83 -7.725 8.312 1.546 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.489 11.193 0.516 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.586 10.253 0.030 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.913 10.952 -0.159 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.639 11.147 0.840 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.245 11.310 -1.310 1.00 0.00 O ATOM 0 H GLU A 83 -8.100 9.031 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.408 11.278 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.794 11.630 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.387 12.014 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.280 9.802 -0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.707 9.441 0.747 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.788 9.733 2.905 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.867 8.750 3.961 1.00 0.00 C ATOM 1343 C GLU A 84 -9.965 7.738 3.704 1.00 0.00 C ATOM 1344 O GLU A 84 -11.077 8.082 3.305 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.019 9.392 5.337 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.299 10.165 5.550 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.455 10.575 6.988 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -10.758 9.702 7.822 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.253 11.761 7.297 1.00 0.00 O ATOM 0 H GLU A 84 -9.212 10.636 3.120 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.917 8.215 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.956 8.610 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.176 10.064 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.302 11.051 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.150 9.554 5.249 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.608 6.478 3.907 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.473 5.322 3.719 1.00 0.00 C ATOM 1358 C GLU A 85 -10.592 4.947 2.251 1.00 0.00 C ATOM 1359 O GLU A 85 -11.401 4.092 1.868 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.828 5.505 4.389 1.00 0.00 C ATOM 1361 CG GLU A 85 -11.756 5.411 5.901 1.00 0.00 C ATOM 1362 CD GLU A 85 -13.111 5.380 6.549 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -13.755 4.314 6.531 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -13.538 6.417 7.087 1.00 0.00 O ATOM 0 H GLU A 85 -8.671 6.223 4.219 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.000 4.478 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.238 6.476 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.518 4.748 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.205 4.512 6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.194 6.261 6.287 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.778 5.600 1.418 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.710 5.285 -0.006 1.00 0.00 C ATOM 1373 C ASP A 86 -9.207 3.858 -0.214 1.00 0.00 C ATOM 1374 O ASP A 86 -8.672 3.226 0.708 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.793 6.264 -0.734 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.270 6.566 -2.137 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.866 5.670 -2.782 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.068 7.709 -2.597 1.00 0.00 O ATOM 0 H ASP A 86 -9.155 6.353 1.710 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.715 5.373 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.733 7.192 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.785 5.851 -0.777 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.353 3.350 -1.414 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.976 1.986 -1.703 1.00 0.00 C ATOM 1385 C VAL A 87 -8.071 1.899 -2.934 1.00 0.00 C ATOM 1386 O VAL A 87 -8.241 2.632 -3.906 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.234 1.099 -1.909 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.082 1.614 -3.065 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.848 -0.354 -2.126 1.00 0.00 C ATOM 0 H VAL A 87 -9.732 3.863 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.416 1.617 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.834 1.155 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.956 0.975 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.404 2.634 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.493 1.602 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.748 -0.952 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.216 -0.434 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.302 -0.719 -1.256 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.116 0.987 -2.893 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.194 0.779 -3.995 1.00 0.00 C ATOM 1401 C ILE A 88 -6.449 -0.604 -4.594 1.00 0.00 C ATOM 1402 O ILE A 88 -6.956 -1.499 -3.909 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.711 0.896 -3.535 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.514 2.163 -2.703 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.761 0.897 -4.726 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.542 1.919 -1.212 1.00 0.00 C ATOM 0 H ILE A 88 -6.958 0.371 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.364 1.554 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.480 0.026 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.560 2.618 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.293 2.881 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.734 0.980 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.878 -0.031 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.991 1.743 -5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.396 2.862 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.505 1.492 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.745 1.226 -0.942 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.111 -0.790 -5.852 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.386 -2.039 -6.531 1.00 0.00 C ATOM 1420 C GLU A 89 -5.102 -2.824 -6.753 1.00 0.00 C ATOM 1421 O GLU A 89 -4.053 -2.253 -7.070 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.058 -1.760 -7.868 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.622 -2.992 -8.537 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.812 -3.552 -7.802 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -9.877 -2.897 -7.805 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.701 -4.650 -7.229 1.00 0.00 O ATOM 0 H GLU A 89 -5.644 -0.089 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.052 -2.635 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.862 -1.040 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.335 -1.294 -8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.912 -2.746 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.846 -3.755 -8.601 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.162 -4.122 -6.552 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.014 -4.976 -6.754 1.00 0.00 C ATOM 1435 C VAL A 90 -4.372 -6.167 -7.625 1.00 0.00 C ATOM 1436 O VAL A 90 -5.403 -6.808 -7.439 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.465 -5.480 -5.404 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.274 -6.411 -5.604 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.090 -4.302 -4.522 1.00 0.00 C ATOM 0 H VAL A 90 -6.003 -4.612 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.248 -4.385 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.248 -6.053 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.910 -6.749 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.581 -7.273 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.479 -5.878 -6.124 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.703 -4.668 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.326 -3.704 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.972 -3.687 -4.343 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.519 -6.465 -8.573 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.719 -7.587 -9.461 1.00 0.00 C ATOM 1451 C TYR A 91 -2.545 -8.539 -9.362 1.00 0.00 C ATOM 1452 O TYR A 91 -1.561 -8.252 -8.691 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.894 -7.118 -10.904 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.211 -6.431 -11.173 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.339 -7.164 -11.509 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.322 -5.051 -11.099 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.542 -6.540 -11.761 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.523 -4.420 -11.349 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.631 -5.167 -11.679 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.835 -4.543 -11.925 1.00 0.00 O ATOM 0 H TYR A 91 -2.665 -5.937 -8.752 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.629 -8.105 -9.159 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.082 -6.435 -11.154 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.803 -7.978 -11.568 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.274 -8.240 -11.574 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.455 -4.461 -10.842 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.412 -7.125 -12.022 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.594 -3.344 -11.286 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.728 -3.574 -11.825 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.645 -9.663 -10.019 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.591 -10.652 -10.005 1.00 0.00 C ATOM 1472 C GLN A 92 -0.784 -10.554 -11.297 1.00 0.00 C ATOM 1473 O GLN A 92 -1.311 -10.177 -12.336 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.198 -12.054 -9.883 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.240 -13.106 -9.350 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.026 -12.991 -7.849 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.738 -13.600 -7.066 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.048 -12.210 -7.442 1.00 0.00 N ATOM 0 H GLN A 92 -3.457 -9.923 -10.580 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.936 -10.469 -9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.067 -12.005 -9.227 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.556 -12.369 -10.863 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.628 -14.098 -9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.281 -13.011 -9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.528 -11.716 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.134 -12.099 -6.445 1.00 0.00 H new ATOM 1487 N GLU A 93 0.498 -10.867 -11.230 1.00 0.00 N ATOM 1488 CA GLU A 93 1.335 -10.857 -12.423 1.00 0.00 C ATOM 1489 C GLU A 93 2.352 -11.985 -12.384 1.00 0.00 C ATOM 1490 O GLU A 93 3.379 -11.933 -13.048 1.00 0.00 O ATOM 1491 CB GLU A 93 2.032 -9.509 -12.609 1.00 0.00 C ATOM 1492 CG GLU A 93 2.942 -9.102 -11.470 1.00 0.00 C ATOM 1493 CD GLU A 93 3.800 -7.921 -11.840 1.00 0.00 C ATOM 1494 OE1 GLU A 93 3.338 -6.775 -11.697 1.00 0.00 O ATOM 1495 OE2 GLU A 93 4.945 -8.134 -12.298 1.00 0.00 O ATOM 0 H GLU A 93 0.982 -11.130 -10.371 1.00 0.00 H new ATOM 0 HA GLU A 93 0.681 -11.014 -13.281 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.617 -9.542 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.273 -8.738 -12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.342 -8.856 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.579 -9.943 -11.194 1.00 0.00 H new