USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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: B 30 SER OG : rot -153:sc= 0.521 USER MOD Set 1.2: B 72 SER OG : rot 160:sc= 1.04 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.155) USER MOD Single : B 19 THR OG1 : rot -28:sc= 0.519 USER MOD Single : B 20 GLN : amide:sc= -3.09 K(o=-3.1,f=-2.2) USER MOD Single : B 22 GLN : amide:sc= -3.05! C(o=-3.1!,f=-2.2!) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.2) USER MOD Single : B 33 THR OG1 : rot -36:sc= 0.927 USER MOD Single : B 34 THR OG1 : rot -62:sc= 1.03 USER MOD Single : B 42 ASN : amide:sc= 0.242 K(o=0.24,f=-0.98) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -151:sc= -2.44! (180deg=-3.91!) USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= -0.0312 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 21:sc= 0.512 USER MOD Single : B 109 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.568 0.236 5.442 1.00 0.00 N ATOM 382 CA VAL B 5 13.503 1.689 5.355 1.00 0.00 C ATOM 383 C VAL B 5 12.237 2.212 6.026 1.00 0.00 C ATOM 384 O VAL B 5 11.137 2.086 5.491 1.00 0.00 O ATOM 385 CB VAL B 5 13.560 2.177 3.890 1.00 0.00 C ATOM 386 CG1 VAL B 5 12.590 1.397 3.015 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.278 3.669 3.815 1.00 0.00 C ATOM 0 HA VAL B 5 14.375 2.083 5.877 1.00 0.00 H new ATOM 0 HB VAL B 5 14.566 1.998 3.511 1.00 0.00 H new ATOM 0 HG11 VAL B 5 12.651 1.761 1.990 1.00 0.00 H new ATOM 0 HG12 VAL B 5 12.848 0.338 3.040 1.00 0.00 H new ATOM 0 HG13 VAL B 5 11.575 1.532 3.388 1.00 0.00 H new ATOM 0 HG21 VAL B 5 13.322 3.996 2.776 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.286 3.872 4.218 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.024 4.210 4.398 1.00 0.00 H new ATOM 397 N THR B 6 12.404 2.796 7.209 1.00 0.00 N ATOM 398 CA THR B 6 11.281 3.328 7.971 1.00 0.00 C ATOM 399 C THR B 6 10.533 4.401 7.187 1.00 0.00 C ATOM 400 O THR B 6 11.052 4.955 6.218 1.00 0.00 O ATOM 401 CB THR B 6 11.750 3.918 9.312 1.00 0.00 C ATOM 402 OG1 THR B 6 12.807 3.118 9.856 1.00 0.00 O ATOM 403 CG2 THR B 6 10.601 3.980 10.304 1.00 0.00 C ATOM 0 H THR B 6 13.311 2.913 7.661 1.00 0.00 H new ATOM 0 HA THR B 6 10.606 2.494 8.162 1.00 0.00 H new ATOM 0 HB THR B 6 12.113 4.930 9.131 1.00 0.00 H new ATOM 0 HG1 THR B 6 13.101 3.501 10.709 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.955 4.400 11.245 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.807 4.609 9.902 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.216 2.975 10.478 1.00 0.00 H new ATOM 411 N LEU B 7 9.309 4.688 7.619 1.00 0.00 N ATOM 412 CA LEU B 7 8.479 5.692 6.964 1.00 0.00 C ATOM 413 C LEU B 7 7.666 6.471 7.995 1.00 0.00 C ATOM 414 O LEU B 7 7.125 5.892 8.938 1.00 0.00 O ATOM 415 CB LEU B 7 7.542 5.020 5.955 1.00 0.00 C ATOM 416 CG LEU B 7 6.811 5.969 4.999 1.00 0.00 C ATOM 417 CD1 LEU B 7 6.395 5.230 3.736 1.00 0.00 C ATOM 418 CD2 LEU B 7 5.599 6.596 5.671 1.00 0.00 C ATOM 0 H LEU B 7 8.869 4.238 8.422 1.00 0.00 H new ATOM 0 HA LEU B 7 9.129 6.390 6.437 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.122 4.312 5.363 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.799 4.443 6.505 1.00 0.00 H new ATOM 0 HG LEU B 7 7.498 6.771 4.727 1.00 0.00 H new ATOM 0 HD11 LEU B 7 5.877 5.917 3.067 1.00 0.00 H new ATOM 0 HD12 LEU B 7 7.280 4.835 3.237 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.729 4.408 3.998 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.099 7.265 4.970 1.00 0.00 H new ATOM 0 HD22 LEU B 7 4.908 5.812 5.980 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.920 7.162 6.546 1.00 0.00 H new ATOM 430 N ASP B 8 7.589 7.784 7.811 1.00 0.00 N ATOM 431 CA ASP B 8 6.843 8.641 8.727 1.00 0.00 C ATOM 432 C ASP B 8 6.028 9.683 7.963 1.00 0.00 C ATOM 433 O ASP B 8 5.160 10.343 8.532 1.00 0.00 O ATOM 434 CB ASP B 8 7.799 9.331 9.702 1.00 0.00 C ATOM 435 CG ASP B 8 7.073 10.217 10.696 1.00 0.00 C ATOM 436 OD1 ASP B 8 6.676 9.709 11.765 1.00 0.00 O ATOM 437 OD2 ASP B 8 6.905 11.420 10.405 1.00 0.00 O ATOM 0 H ASP B 8 8.033 8.278 7.037 1.00 0.00 H new ATOM 0 HA ASP B 8 6.151 8.014 9.290 1.00 0.00 H new ATOM 0 HB2 ASP B 8 8.370 8.576 10.242 1.00 0.00 H new ATOM 0 HB3 ASP B 8 8.515 9.931 9.141 1.00 0.00 H new ATOM 442 N ASP B 9 6.313 9.821 6.671 1.00 0.00 N ATOM 443 CA ASP B 9 5.607 10.783 5.833 1.00 0.00 C ATOM 444 C ASP B 9 5.249 10.171 4.483 1.00 0.00 C ATOM 445 O ASP B 9 5.912 9.242 4.016 1.00 0.00 O ATOM 446 CB ASP B 9 6.460 12.036 5.627 1.00 0.00 C ATOM 447 CG ASP B 9 6.796 12.729 6.934 1.00 0.00 C ATOM 448 OD1 ASP B 9 7.838 12.395 7.532 1.00 0.00 O ATOM 449 OD2 ASP B 9 6.015 13.608 7.356 1.00 0.00 O ATOM 0 H ASP B 9 7.027 9.280 6.183 1.00 0.00 H new ATOM 0 HA ASP B 9 4.684 11.060 6.342 1.00 0.00 H new ATOM 0 HB2 ASP B 9 7.383 11.763 5.116 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.929 12.731 4.977 1.00 0.00 H new ATOM 454 N ALA B 10 4.198 10.693 3.860 1.00 0.00 N ATOM 455 CA ALA B 10 3.753 10.198 2.563 1.00 0.00 C ATOM 456 C ALA B 10 4.784 10.491 1.482 1.00 0.00 C ATOM 457 O ALA B 10 5.075 9.641 0.639 1.00 0.00 O ATOM 458 CB ALA B 10 2.410 10.814 2.198 1.00 0.00 C ATOM 0 H ALA B 10 3.638 11.460 4.233 1.00 0.00 H new ATOM 0 HA ALA B 10 3.637 9.116 2.633 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.088 10.437 1.227 1.00 0.00 H new ATOM 0 HB2 ALA B 10 1.671 10.549 2.954 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.508 11.899 2.151 1.00 0.00 H new ATOM 464 N ASP B 11 5.335 11.700 1.511 1.00 0.00 N ATOM 465 CA ASP B 11 6.337 12.109 0.532 1.00 0.00 C ATOM 466 C ASP B 11 7.672 11.429 0.811 1.00 0.00 C ATOM 467 O ASP B 11 8.553 11.390 -0.048 1.00 0.00 O ATOM 468 CB ASP B 11 6.514 13.626 0.560 1.00 0.00 C ATOM 469 CG ASP B 11 7.481 14.116 -0.499 1.00 0.00 C ATOM 470 OD1 ASP B 11 7.030 14.413 -1.625 1.00 0.00 O ATOM 471 OD2 ASP B 11 8.692 14.203 -0.205 1.00 0.00 O ATOM 0 H ASP B 11 5.105 12.414 2.202 1.00 0.00 H new ATOM 0 HA ASP B 11 5.991 11.807 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP B 11 5.546 14.105 0.413 1.00 0.00 H new ATOM 0 HB3 ASP B 11 6.873 13.929 1.544 1.00 0.00 H new ATOM 476 N ASP B 12 7.814 10.890 2.018 1.00 0.00 N ATOM 477 CA ASP B 12 9.042 10.210 2.412 1.00 0.00 C ATOM 478 C ASP B 12 9.231 8.926 1.612 1.00 0.00 C ATOM 479 O ASP B 12 10.271 8.275 1.699 1.00 0.00 O ATOM 480 CB ASP B 12 9.016 9.896 3.911 1.00 0.00 C ATOM 481 CG ASP B 12 10.307 9.266 4.394 1.00 0.00 C ATOM 482 OD1 ASP B 12 10.385 8.019 4.421 1.00 0.00 O ATOM 483 OD2 ASP B 12 11.239 10.018 4.747 1.00 0.00 O ATOM 0 H ASP B 12 7.094 10.911 2.740 1.00 0.00 H new ATOM 0 HA ASP B 12 9.881 10.873 2.202 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.833 10.815 4.468 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.185 9.223 4.124 1.00 0.00 H new ATOM 488 N CYS B 13 8.216 8.570 0.828 1.00 0.00 N ATOM 489 CA CYS B 13 8.270 7.366 0.011 1.00 0.00 C ATOM 490 C CYS B 13 9.239 7.533 -1.149 1.00 0.00 C ATOM 491 O CYS B 13 9.777 8.616 -1.376 1.00 0.00 O ATOM 492 CB CYS B 13 6.881 7.033 -0.535 1.00 0.00 C ATOM 493 SG CYS B 13 5.974 5.788 0.434 1.00 0.00 S ATOM 0 H CYS B 13 7.348 9.099 0.743 1.00 0.00 H new ATOM 0 HA CYS B 13 8.619 6.551 0.645 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.290 7.948 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS B 13 6.982 6.676 -1.560 1.00 0.00 H new ATOM 498 N SER B 14 9.455 6.447 -1.881 1.00 0.00 N ATOM 499 CA SER B 14 10.340 6.464 -3.034 1.00 0.00 C ATOM 500 C SER B 14 9.501 6.521 -4.302 1.00 0.00 C ATOM 501 O SER B 14 8.937 5.509 -4.714 1.00 0.00 O ATOM 502 CB SER B 14 11.229 5.223 -3.047 1.00 0.00 C ATOM 503 OG SER B 14 12.111 5.214 -1.936 1.00 0.00 O ATOM 0 H SER B 14 9.026 5.541 -1.694 1.00 0.00 H new ATOM 0 HA SER B 14 10.984 7.342 -2.980 1.00 0.00 H new ATOM 0 HB2 SER B 14 10.608 4.327 -3.030 1.00 0.00 H new ATOM 0 HB3 SER B 14 11.805 5.194 -3.972 1.00 0.00 H new ATOM 0 HG SER B 14 12.668 4.408 -1.967 1.00 0.00 H new ATOM 509 N PRO B 15 9.396 7.705 -4.931 1.00 0.00 N ATOM 510 CA PRO B 15 8.596 7.890 -6.141 1.00 0.00 C ATOM 511 C PRO B 15 8.801 6.783 -7.166 1.00 0.00 C ATOM 512 O PRO B 15 9.661 6.879 -8.041 1.00 0.00 O ATOM 513 CB PRO B 15 9.065 9.235 -6.705 1.00 0.00 C ATOM 514 CG PRO B 15 10.217 9.663 -5.850 1.00 0.00 C ATOM 515 CD PRO B 15 10.053 8.957 -4.536 1.00 0.00 C ATOM 0 HA PRO B 15 7.531 7.864 -5.910 1.00 0.00 H new ATOM 0 HB2 PRO B 15 9.368 9.136 -7.747 1.00 0.00 H new ATOM 0 HB3 PRO B 15 8.262 9.972 -6.675 1.00 0.00 H new ATOM 0 HG2 PRO B 15 11.166 9.400 -6.317 1.00 0.00 H new ATOM 0 HG3 PRO B 15 10.218 10.744 -5.713 1.00 0.00 H new ATOM 0 HD2 PRO B 15 11.011 8.777 -4.049 1.00 0.00 H new ATOM 0 HD3 PRO B 15 9.444 9.533 -3.839 1.00 0.00 H new ATOM 523 N LEU B 16 8.011 5.724 -7.028 1.00 0.00 N ATOM 524 CA LEU B 16 8.062 4.591 -7.942 1.00 0.00 C ATOM 525 C LEU B 16 9.402 3.887 -7.894 1.00 0.00 C ATOM 526 O LEU B 16 9.612 2.965 -7.106 1.00 0.00 O ATOM 527 CB LEU B 16 7.784 5.045 -9.369 1.00 0.00 C ATOM 528 CG LEU B 16 6.395 5.595 -9.627 1.00 0.00 C ATOM 529 CD1 LEU B 16 5.325 4.784 -8.908 1.00 0.00 C ATOM 530 CD2 LEU B 16 6.356 7.047 -9.204 1.00 0.00 C ATOM 0 H LEU B 16 7.321 5.628 -6.283 1.00 0.00 H new ATOM 0 HA LEU B 16 7.294 3.887 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU B 16 8.513 5.811 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU B 16 7.950 4.201 -10.038 1.00 0.00 H new ATOM 0 HG LEU B 16 6.178 5.520 -10.693 1.00 0.00 H new ATOM 0 HD11 LEU B 16 4.344 5.210 -9.118 1.00 0.00 H new ATOM 0 HD12 LEU B 16 5.355 3.752 -9.257 1.00 0.00 H new ATOM 0 HD13 LEU B 16 5.509 4.809 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU B 16 5.361 7.452 -9.386 1.00 0.00 H new ATOM 0 HD22 LEU B 16 6.591 7.123 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU B 16 7.089 7.613 -9.779 1.00 0.00 H new ATOM 542 N LYS B 17 10.286 4.339 -8.764 1.00 0.00 N ATOM 543 CA LYS B 17 11.635 3.787 -8.892 1.00 0.00 C ATOM 544 C LYS B 17 12.124 3.157 -7.595 1.00 0.00 C ATOM 545 O LYS B 17 12.544 3.853 -6.669 1.00 0.00 O ATOM 546 CB LYS B 17 12.600 4.881 -9.341 1.00 0.00 C ATOM 547 CG LYS B 17 12.304 5.408 -10.732 1.00 0.00 C ATOM 548 CD LYS B 17 12.885 6.796 -10.936 1.00 0.00 C ATOM 549 CE LYS B 17 12.658 7.294 -12.354 1.00 0.00 C ATOM 550 NZ LYS B 17 11.210 7.365 -12.694 1.00 0.00 N ATOM 0 H LYS B 17 10.093 5.105 -9.409 1.00 0.00 H new ATOM 0 HA LYS B 17 11.598 2.997 -9.642 1.00 0.00 H new ATOM 0 HB2 LYS B 17 12.558 5.707 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.617 4.491 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.717 4.727 -11.476 1.00 0.00 H new ATOM 0 HG3 LYS B 17 11.226 5.437 -10.890 1.00 0.00 H new ATOM 0 HD2 LYS B 17 12.430 7.489 -10.229 1.00 0.00 H new ATOM 0 HD3 LYS B 17 13.954 6.779 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS B 17 13.106 8.281 -12.468 1.00 0.00 H new ATOM 0 HE3 LYS B 17 13.164 6.631 -13.056 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 11.089 7.879 -13.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 10.829 6.402 -12.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 10.700 7.863 -11.937 1.00 0.00 H new ATOM 564 N LEU B 18 12.058 1.830 -7.536 1.00 0.00 N ATOM 565 CA LEU B 18 12.494 1.087 -6.358 1.00 0.00 C ATOM 566 C LEU B 18 13.397 -0.075 -6.763 1.00 0.00 C ATOM 567 O LEU B 18 13.903 -0.114 -7.885 1.00 0.00 O ATOM 568 CB LEU B 18 11.277 0.570 -5.582 1.00 0.00 C ATOM 569 CG LEU B 18 11.422 0.549 -4.064 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.838 1.914 -3.537 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.126 0.098 -3.411 1.00 0.00 C ATOM 0 H LEU B 18 11.705 1.245 -8.294 1.00 0.00 H new ATOM 0 HA LEU B 18 13.064 1.757 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.416 1.188 -5.838 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.055 -0.442 -5.922 1.00 0.00 H new ATOM 0 HG LEU B 18 12.206 -0.165 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.934 1.871 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.795 2.197 -3.975 1.00 0.00 H new ATOM 0 HD13 LEU B 18 11.083 2.653 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.248 0.089 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.324 0.786 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU B 18 9.875 -0.905 -3.756 1.00 0.00 H new ATOM 583 N THR B 19 13.594 -1.022 -5.848 1.00 0.00 N ATOM 584 CA THR B 19 14.437 -2.177 -6.113 1.00 0.00 C ATOM 585 C THR B 19 14.093 -3.323 -5.168 1.00 0.00 C ATOM 586 O THR B 19 13.642 -3.103 -4.045 1.00 0.00 O ATOM 587 CB THR B 19 15.931 -1.835 -5.963 1.00 0.00 C ATOM 588 OG1 THR B 19 16.242 -0.645 -6.698 1.00 0.00 O ATOM 589 CG2 THR B 19 16.803 -2.980 -6.458 1.00 0.00 C ATOM 0 H THR B 19 13.179 -1.009 -4.916 1.00 0.00 H new ATOM 0 HA THR B 19 14.248 -2.480 -7.143 1.00 0.00 H new ATOM 0 HB THR B 19 16.135 -1.672 -4.905 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.625 -0.557 -7.454 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.854 -2.714 -6.341 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.589 -3.877 -5.877 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.591 -3.170 -7.510 1.00 0.00 H new ATOM 597 N GLN B 20 14.307 -4.540 -5.638 1.00 0.00 N ATOM 598 CA GLN B 20 14.030 -5.735 -4.850 1.00 0.00 C ATOM 599 C GLN B 20 15.139 -5.984 -3.834 1.00 0.00 C ATOM 600 O GLN B 20 16.322 -5.856 -4.148 1.00 0.00 O ATOM 601 CB GLN B 20 13.885 -6.948 -5.769 1.00 0.00 C ATOM 602 CG GLN B 20 12.716 -6.848 -6.734 1.00 0.00 C ATOM 603 CD GLN B 20 12.836 -7.812 -7.897 1.00 0.00 C ATOM 604 OE1 GLN B 20 13.411 -8.893 -7.768 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.297 -7.420 -9.046 1.00 0.00 N ATOM 0 H GLN B 20 14.675 -4.730 -6.570 1.00 0.00 H new ATOM 0 HA GLN B 20 13.096 -5.579 -4.310 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.806 -7.073 -6.339 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.765 -7.843 -5.158 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.788 -7.046 -6.197 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.652 -5.829 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.830 -6.515 -9.108 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.350 -8.024 -9.867 1.00 0.00 H new ATOM 614 N GLY B 21 14.748 -6.341 -2.618 1.00 0.00 N ATOM 615 CA GLY B 21 15.720 -6.608 -1.573 1.00 0.00 C ATOM 616 C GLY B 21 15.679 -5.585 -0.457 1.00 0.00 C ATOM 617 O GLY B 21 16.694 -5.320 0.188 1.00 0.00 O ATOM 0 H GLY B 21 13.774 -6.451 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.537 -7.599 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.719 -6.624 -2.008 1.00 0.00 H new ATOM 621 N GLN B 22 14.504 -5.009 -0.223 1.00 0.00 N ATOM 622 CA GLN B 22 14.334 -4.016 0.820 1.00 0.00 C ATOM 623 C GLN B 22 12.957 -4.140 1.459 1.00 0.00 C ATOM 624 O GLN B 22 11.990 -4.541 0.809 1.00 0.00 O ATOM 625 CB GLN B 22 14.521 -2.613 0.249 1.00 0.00 C ATOM 626 CG GLN B 22 13.932 -2.440 -1.140 1.00 0.00 C ATOM 627 CD GLN B 22 13.896 -0.989 -1.576 1.00 0.00 C ATOM 628 OE1 GLN B 22 14.038 -0.677 -2.756 1.00 0.00 O ATOM 629 NE2 GLN B 22 13.697 -0.098 -0.616 1.00 0.00 N ATOM 0 H GLN B 22 13.654 -5.218 -0.747 1.00 0.00 H new ATOM 0 HA GLN B 22 15.089 -4.190 1.586 1.00 0.00 H new ATOM 0 HB2 GLN B 22 14.060 -1.891 0.923 1.00 0.00 H new ATOM 0 HB3 GLN B 22 15.586 -2.382 0.215 1.00 0.00 H new ATOM 0 HG2 GLN B 22 14.519 -3.017 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN B 22 12.921 -2.847 -1.156 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.585 -0.406 0.350 1.00 0.00 H new ATOM 0 HE22 GLN B 22 13.656 0.896 -0.843 1.00 0.00 H new ATOM 638 N GLU B 23 12.878 -3.793 2.737 1.00 0.00 N ATOM 639 CA GLU B 23 11.616 -3.862 3.471 1.00 0.00 C ATOM 640 C GLU B 23 11.236 -2.500 4.037 1.00 0.00 C ATOM 641 O GLU B 23 11.996 -1.539 3.931 1.00 0.00 O ATOM 642 CB GLU B 23 11.705 -4.879 4.611 1.00 0.00 C ATOM 643 CG GLU B 23 12.211 -6.244 4.178 1.00 0.00 C ATOM 644 CD GLU B 23 12.345 -7.210 5.338 1.00 0.00 C ATOM 645 OE1 GLU B 23 13.429 -7.251 5.954 1.00 0.00 O ATOM 646 OE2 GLU B 23 11.363 -7.926 5.629 1.00 0.00 O ATOM 0 H GLU B 23 13.670 -3.461 3.288 1.00 0.00 H new ATOM 0 HA GLU B 23 10.846 -4.179 2.767 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.365 -4.486 5.385 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.719 -4.994 5.061 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.529 -6.663 3.438 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.179 -6.131 3.690 1.00 0.00 H new ATOM 653 N LEU B 24 10.054 -2.428 4.639 1.00 0.00 N ATOM 654 CA LEU B 24 9.576 -1.184 5.231 1.00 0.00 C ATOM 655 C LEU B 24 8.573 -1.456 6.349 1.00 0.00 C ATOM 656 O LEU B 24 7.869 -2.464 6.334 1.00 0.00 O ATOM 657 CB LEU B 24 8.941 -0.295 4.162 1.00 0.00 C ATOM 658 CG LEU B 24 8.455 1.068 4.660 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.653 2.130 3.591 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.994 0.998 5.083 1.00 0.00 C ATOM 0 H LEU B 24 9.411 -3.214 4.730 1.00 0.00 H new ATOM 0 HA LEU B 24 10.434 -0.666 5.660 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.667 -0.136 3.365 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.097 -0.827 3.723 1.00 0.00 H new ATOM 0 HG LEU B 24 9.049 1.344 5.531 1.00 0.00 H new ATOM 0 HD11 LEU B 24 8.301 3.092 3.964 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.712 2.202 3.342 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.088 1.858 2.699 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.669 1.978 5.434 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.383 0.696 4.232 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.882 0.270 5.886 1.00 0.00 H new ATOM 672 N VAL B 25 8.520 -0.545 7.317 1.00 0.00 N ATOM 673 CA VAL B 25 7.603 -0.671 8.444 1.00 0.00 C ATOM 674 C VAL B 25 6.907 0.656 8.728 1.00 0.00 C ATOM 675 O VAL B 25 7.506 1.579 9.281 1.00 0.00 O ATOM 676 CB VAL B 25 8.337 -1.145 9.716 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.432 -1.036 10.936 1.00 0.00 C ATOM 678 CG2 VAL B 25 8.831 -2.572 9.544 1.00 0.00 C ATOM 0 H VAL B 25 9.104 0.291 7.342 1.00 0.00 H new ATOM 0 HA VAL B 25 6.858 -1.418 8.171 1.00 0.00 H new ATOM 0 HB VAL B 25 9.199 -0.497 9.874 1.00 0.00 H new ATOM 0 HG11 VAL B 25 7.971 -1.376 11.820 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.129 0.002 11.072 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.548 -1.656 10.790 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.346 -2.890 10.450 1.00 0.00 H new ATOM 0 HG22 VAL B 25 7.983 -3.231 9.358 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.519 -2.620 8.700 1.00 0.00 H new ATOM 688 N LEU B 26 5.639 0.745 8.342 1.00 0.00 N ATOM 689 CA LEU B 26 4.856 1.957 8.552 1.00 0.00 C ATOM 690 C LEU B 26 4.540 2.152 10.032 1.00 0.00 C ATOM 691 O LEU B 26 4.185 1.202 10.730 1.00 0.00 O ATOM 692 CB LEU B 26 3.556 1.898 7.745 1.00 0.00 C ATOM 693 CG LEU B 26 3.731 1.986 6.228 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.415 1.692 5.523 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.258 3.357 5.831 1.00 0.00 C ATOM 0 H LEU B 26 5.131 -0.010 7.881 1.00 0.00 H new ATOM 0 HA LEU B 26 5.449 2.805 8.210 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.041 0.967 7.983 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.908 2.713 8.069 1.00 0.00 H new ATOM 0 HG LEU B 26 4.460 1.237 5.920 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.557 1.759 4.444 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.079 0.688 5.783 1.00 0.00 H new ATOM 0 HD13 LEU B 26 1.665 2.418 5.836 1.00 0.00 H new ATOM 0 HD21 LEU B 26 4.376 3.402 4.748 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.553 4.124 6.151 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.223 3.528 6.309 1.00 0.00 H new ATOM 707 N THR B 27 4.673 3.389 10.501 1.00 0.00 N ATOM 708 CA THR B 27 4.398 3.709 11.897 1.00 0.00 C ATOM 709 C THR B 27 3.413 4.866 12.010 1.00 0.00 C ATOM 710 O THR B 27 3.804 6.033 11.994 1.00 0.00 O ATOM 711 CB THR B 27 5.691 4.069 12.655 1.00 0.00 C ATOM 712 OG1 THR B 27 6.645 3.008 12.533 1.00 0.00 O ATOM 713 CG2 THR B 27 5.403 4.327 14.128 1.00 0.00 C ATOM 0 H THR B 27 4.969 4.185 9.936 1.00 0.00 H new ATOM 0 HA THR B 27 3.959 2.819 12.347 1.00 0.00 H new ATOM 0 HB THR B 27 6.100 4.978 12.214 1.00 0.00 H new ATOM 0 HG1 THR B 27 7.463 3.247 13.016 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.331 4.579 14.641 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.700 5.155 14.222 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.972 3.432 14.577 1.00 0.00 H new ATOM 721 N LEU B 28 2.129 4.533 12.120 1.00 0.00 N ATOM 722 CA LEU B 28 1.082 5.542 12.233 1.00 0.00 C ATOM 723 C LEU B 28 0.321 5.395 13.550 1.00 0.00 C ATOM 724 O LEU B 28 0.213 4.297 14.094 1.00 0.00 O ATOM 725 CB LEU B 28 0.113 5.439 11.054 1.00 0.00 C ATOM 726 CG LEU B 28 0.432 6.344 9.861 1.00 0.00 C ATOM 727 CD1 LEU B 28 1.868 6.146 9.400 1.00 0.00 C ATOM 728 CD2 LEU B 28 -0.537 6.083 8.719 1.00 0.00 C ATOM 0 H LEU B 28 1.790 3.571 12.133 1.00 0.00 H new ATOM 0 HA LEU B 28 1.556 6.523 12.217 1.00 0.00 H new ATOM 0 HB2 LEU B 28 0.095 4.405 10.709 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.890 5.674 11.409 1.00 0.00 H new ATOM 0 HG LEU B 28 0.318 7.380 10.180 1.00 0.00 H new ATOM 0 HD11 LEU B 28 2.071 6.799 8.552 1.00 0.00 H new ATOM 0 HD12 LEU B 28 2.549 6.388 10.216 1.00 0.00 H new ATOM 0 HD13 LEU B 28 2.014 5.108 9.102 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -0.295 6.735 7.880 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -0.457 5.042 8.405 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -1.555 6.284 9.053 1.00 0.00 H new ATOM 740 N PRO B 29 -0.222 6.509 14.077 1.00 0.00 N ATOM 741 CA PRO B 29 -0.977 6.501 15.331 1.00 0.00 C ATOM 742 C PRO B 29 -2.404 6.000 15.145 1.00 0.00 C ATOM 743 O PRO B 29 -3.060 6.320 14.155 1.00 0.00 O ATOM 744 CB PRO B 29 -0.974 7.972 15.742 1.00 0.00 C ATOM 745 CG PRO B 29 -0.925 8.718 14.453 1.00 0.00 C ATOM 746 CD PRO B 29 -0.139 7.862 13.492 1.00 0.00 C ATOM 0 HA PRO B 29 -0.539 5.833 16.072 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -1.866 8.226 16.314 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -0.115 8.207 16.370 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -1.930 8.904 14.074 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -0.449 9.690 14.585 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.566 7.891 12.489 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.894 8.199 13.409 1.00 0.00 H new ATOM 754 N SER B 30 -2.880 5.209 16.103 1.00 0.00 N ATOM 755 CA SER B 30 -4.230 4.662 16.043 1.00 0.00 C ATOM 756 C SER B 30 -4.688 4.181 17.415 1.00 0.00 C ATOM 757 O SER B 30 -3.897 4.110 18.356 1.00 0.00 O ATOM 758 CB SER B 30 -4.290 3.507 15.041 1.00 0.00 C ATOM 759 OG SER B 30 -3.390 2.473 15.402 1.00 0.00 O ATOM 0 H SER B 30 -2.350 4.933 16.930 1.00 0.00 H new ATOM 0 HA SER B 30 -4.900 5.457 15.716 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.305 3.112 14.997 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.047 3.873 14.044 1.00 0.00 H new ATOM 0 HG SER B 30 -3.113 1.985 14.599 1.00 0.00 H new ATOM 765 N ASN B 31 -5.972 3.853 17.521 1.00 0.00 N ATOM 766 CA ASN B 31 -6.541 3.378 18.778 1.00 0.00 C ATOM 767 C ASN B 31 -7.604 2.308 18.523 1.00 0.00 C ATOM 768 O ASN B 31 -8.757 2.632 18.238 1.00 0.00 O ATOM 769 CB ASN B 31 -7.151 4.543 19.560 1.00 0.00 C ATOM 770 CG ASN B 31 -6.128 5.607 19.908 1.00 0.00 C ATOM 771 OD1 ASN B 31 -5.492 5.552 20.960 1.00 0.00 O ATOM 772 ND2 ASN B 31 -5.963 6.580 19.021 1.00 0.00 N ATOM 0 H ASN B 31 -6.639 3.907 16.751 1.00 0.00 H new ATOM 0 HA ASN B 31 -5.738 2.936 19.368 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -7.952 4.992 18.972 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.603 4.164 20.477 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -5.287 7.323 19.198 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.512 6.585 18.162 1.00 0.00 H new ATOM 779 N PRO B 32 -7.230 1.019 18.613 1.00 0.00 N ATOM 780 CA PRO B 32 -8.162 -0.093 18.388 1.00 0.00 C ATOM 781 C PRO B 32 -9.293 -0.121 19.414 1.00 0.00 C ATOM 782 O PRO B 32 -10.214 -0.932 19.312 1.00 0.00 O ATOM 783 CB PRO B 32 -7.287 -1.345 18.535 1.00 0.00 C ATOM 784 CG PRO B 32 -5.882 -0.861 18.396 1.00 0.00 C ATOM 785 CD PRO B 32 -5.874 0.539 18.931 1.00 0.00 C ATOM 0 HA PRO B 32 -8.652 -0.012 17.417 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -7.444 -1.824 19.501 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -7.526 -2.084 17.770 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -5.193 -1.496 18.953 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -5.563 -0.883 17.354 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -5.678 0.561 20.003 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -5.107 1.149 18.455 1.00 0.00 H new ATOM 793 N THR B 33 -9.218 0.769 20.398 1.00 0.00 N ATOM 794 CA THR B 33 -10.234 0.841 21.443 1.00 0.00 C ATOM 795 C THR B 33 -11.346 1.818 21.072 1.00 0.00 C ATOM 796 O THR B 33 -12.276 2.037 21.847 1.00 0.00 O ATOM 797 CB THR B 33 -9.621 1.262 22.792 1.00 0.00 C ATOM 798 OG1 THR B 33 -10.639 1.313 23.800 1.00 0.00 O ATOM 799 CG2 THR B 33 -8.946 2.622 22.679 1.00 0.00 C ATOM 0 H THR B 33 -8.465 1.450 20.494 1.00 0.00 H new ATOM 0 HA THR B 33 -10.657 -0.159 21.540 1.00 0.00 H new ATOM 0 HB THR B 33 -8.871 0.522 23.071 1.00 0.00 H new ATOM 0 HG1 THR B 33 -11.474 1.642 23.406 1.00 0.00 H new ATOM 0 HG21 THR B 33 -8.521 2.898 23.644 1.00 0.00 H new ATOM 0 HG22 THR B 33 -8.153 2.574 21.933 1.00 0.00 H new ATOM 0 HG23 THR B 33 -9.681 3.369 22.379 1.00 0.00 H new ATOM 807 N THR B 34 -11.246 2.403 19.881 1.00 0.00 N ATOM 808 CA THR B 34 -12.247 3.357 19.415 1.00 0.00 C ATOM 809 C THR B 34 -13.156 2.737 18.359 1.00 0.00 C ATOM 810 O THR B 34 -14.356 2.573 18.582 1.00 0.00 O ATOM 811 CB THR B 34 -11.593 4.626 18.835 1.00 0.00 C ATOM 812 OG1 THR B 34 -10.753 4.286 17.726 1.00 0.00 O ATOM 813 CG2 THR B 34 -10.770 5.342 19.896 1.00 0.00 C ATOM 0 H THR B 34 -10.485 2.234 19.224 1.00 0.00 H new ATOM 0 HA THR B 34 -12.844 3.632 20.285 1.00 0.00 H new ATOM 0 HB THR B 34 -12.387 5.293 18.497 1.00 0.00 H new ATOM 0 HG1 THR B 34 -10.031 3.698 18.031 1.00 0.00 H new ATOM 0 HG21 THR B 34 -10.318 6.235 19.464 1.00 0.00 H new ATOM 0 HG22 THR B 34 -11.416 5.628 20.726 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.986 4.677 20.259 1.00 0.00 H new ATOM 821 N GLY B 35 -12.580 2.394 17.211 1.00 0.00 N ATOM 822 CA GLY B 35 -13.356 1.801 16.140 1.00 0.00 C ATOM 823 C GLY B 35 -12.752 2.090 14.783 1.00 0.00 C ATOM 824 O GLY B 35 -12.800 1.252 13.882 1.00 0.00 O ATOM 0 H GLY B 35 -11.589 2.517 17.004 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -13.417 0.723 16.289 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -14.375 2.185 16.174 1.00 0.00 H new ATOM 828 N PHE B 36 -12.181 3.282 14.640 1.00 0.00 N ATOM 829 CA PHE B 36 -11.559 3.683 13.392 1.00 0.00 C ATOM 830 C PHE B 36 -10.108 3.229 13.337 1.00 0.00 C ATOM 831 O PHE B 36 -9.239 3.784 14.006 1.00 0.00 O ATOM 832 CB PHE B 36 -11.626 5.195 13.228 1.00 0.00 C ATOM 833 CG PHE B 36 -12.952 5.694 12.726 1.00 0.00 C ATOM 834 CD1 PHE B 36 -14.092 5.586 13.506 1.00 0.00 C ATOM 835 CD2 PHE B 36 -13.056 6.272 11.470 1.00 0.00 C ATOM 836 CE1 PHE B 36 -15.310 6.045 13.044 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.272 6.734 11.002 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.400 6.618 11.791 1.00 0.00 C ATOM 0 H PHE B 36 -12.138 3.985 15.377 1.00 0.00 H new ATOM 0 HA PHE B 36 -12.106 3.207 12.578 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.412 5.665 14.188 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.844 5.511 12.537 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -14.027 5.138 14.486 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.176 6.362 10.850 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -16.191 5.956 13.662 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.340 7.184 10.023 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.352 6.975 11.428 1.00 0.00 H new ATOM 848 N ARG B 37 -9.874 2.203 12.543 1.00 0.00 N ATOM 849 CA ARG B 37 -8.537 1.651 12.362 1.00 0.00 C ATOM 850 C ARG B 37 -7.977 2.039 10.999 1.00 0.00 C ATOM 851 O ARG B 37 -8.416 3.015 10.391 1.00 0.00 O ATOM 852 CB ARG B 37 -8.568 0.128 12.486 1.00 0.00 C ATOM 853 CG ARG B 37 -8.525 -0.373 13.920 1.00 0.00 C ATOM 854 CD ARG B 37 -7.181 -0.087 14.571 1.00 0.00 C ATOM 855 NE ARG B 37 -6.083 -0.753 13.876 1.00 0.00 N ATOM 856 CZ ARG B 37 -4.824 -0.747 14.305 1.00 0.00 C ATOM 857 NH1 ARG B 37 -4.505 -0.112 15.426 1.00 0.00 N ATOM 858 NH2 ARG B 37 -3.884 -1.377 13.615 1.00 0.00 N ATOM 0 H ARG B 37 -10.598 1.727 12.005 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.893 2.061 13.140 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.472 -0.248 12.007 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.722 -0.289 11.940 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -9.318 0.103 14.497 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -8.718 -1.446 13.938 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -7.005 0.989 14.581 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.204 -0.415 15.610 1.00 0.00 H new ATOM 0 HE ARG B 37 -6.294 -1.252 13.012 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.226 0.373 15.960 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -3.539 -0.109 15.753 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -4.126 -1.867 12.754 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -2.919 -1.372 13.945 1.00 0.00 H new ATOM 872 N TRP B 38 -7.003 1.268 10.523 1.00 0.00 N ATOM 873 CA TRP B 38 -6.393 1.528 9.228 1.00 0.00 C ATOM 874 C TRP B 38 -6.614 0.353 8.283 1.00 0.00 C ATOM 875 O TRP B 38 -6.075 -0.733 8.489 1.00 0.00 O ATOM 876 CB TRP B 38 -4.896 1.814 9.384 1.00 0.00 C ATOM 877 CG TRP B 38 -4.608 3.098 10.102 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.443 3.266 11.447 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.452 4.396 9.512 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.195 4.588 11.729 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.196 5.301 10.559 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.504 4.880 8.201 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.991 6.661 10.336 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.301 6.231 7.982 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.048 7.108 9.043 1.00 0.00 C ATOM 0 H TRP B 38 -6.622 0.460 11.016 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.870 2.409 8.799 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.431 0.991 9.926 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.435 1.847 8.397 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.499 2.476 12.181 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -4.036 4.976 12.659 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.699 4.212 7.375 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.794 7.338 11.154 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.338 6.616 6.974 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.895 8.157 8.838 1.00 0.00 H new ATOM 896 N GLU B 39 -7.415 0.581 7.246 1.00 0.00 N ATOM 897 CA GLU B 39 -7.720 -0.459 6.270 1.00 0.00 C ATOM 898 C GLU B 39 -6.773 -0.390 5.076 1.00 0.00 C ATOM 899 O GLU B 39 -6.216 0.665 4.771 1.00 0.00 O ATOM 900 CB GLU B 39 -9.171 -0.325 5.796 1.00 0.00 C ATOM 901 CG GLU B 39 -9.625 -1.456 4.888 1.00 0.00 C ATOM 902 CD GLU B 39 -11.068 -1.307 4.451 1.00 0.00 C ATOM 903 OE1 GLU B 39 -11.311 -0.637 3.425 1.00 0.00 O ATOM 904 OE2 GLU B 39 -11.957 -1.861 5.134 1.00 0.00 O ATOM 0 H GLU B 39 -7.865 1.478 7.060 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.586 -1.427 6.754 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.826 -0.285 6.666 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.285 0.621 5.267 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -8.984 -1.490 4.007 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.503 -2.406 5.408 1.00 0.00 H new ATOM 911 N LEU B 40 -6.596 -1.524 4.402 1.00 0.00 N ATOM 912 CA LEU B 40 -5.717 -1.597 3.240 1.00 0.00 C ATOM 913 C LEU B 40 -6.518 -1.638 1.943 1.00 0.00 C ATOM 914 O LEU B 40 -7.268 -2.581 1.696 1.00 0.00 O ATOM 915 CB LEU B 40 -4.818 -2.833 3.328 1.00 0.00 C ATOM 916 CG LEU B 40 -3.526 -2.642 4.121 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.839 -3.981 4.347 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.595 -1.681 3.401 1.00 0.00 C ATOM 0 H LEU B 40 -7.051 -2.405 4.642 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.098 -0.700 3.236 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.387 -3.645 3.781 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.562 -3.149 2.317 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.777 -2.214 5.091 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.920 -3.828 4.913 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.503 -4.641 4.905 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.601 -4.435 3.385 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.680 -1.557 3.981 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.350 -2.081 2.417 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.086 -0.715 3.288 1.00 0.00 H new ATOM 930 N ARG B 41 -6.349 -0.608 1.121 1.00 0.00 N ATOM 931 CA ARG B 41 -7.044 -0.530 -0.157 1.00 0.00 C ATOM 932 C ARG B 41 -6.177 -1.114 -1.266 1.00 0.00 C ATOM 933 O ARG B 41 -6.669 -1.445 -2.346 1.00 0.00 O ATOM 934 CB ARG B 41 -7.404 0.921 -0.481 1.00 0.00 C ATOM 935 CG ARG B 41 -8.377 1.549 0.505 1.00 0.00 C ATOM 936 CD ARG B 41 -9.789 1.010 0.328 1.00 0.00 C ATOM 937 NE ARG B 41 -9.904 -0.386 0.739 1.00 0.00 N ATOM 938 CZ ARG B 41 -10.974 -1.139 0.502 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.017 -0.632 -0.140 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.002 -2.401 0.909 1.00 0.00 N ATOM 0 H ARG B 41 -5.737 0.184 1.318 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.964 -1.111 -0.086 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.491 1.515 -0.504 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.837 0.963 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -8.039 1.355 1.523 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.382 2.631 0.372 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -10.483 1.616 0.910 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.083 1.104 -0.717 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.119 -0.808 1.236 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -12.000 0.338 -0.454 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.836 -1.212 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -10.202 -2.795 1.404 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -11.823 -2.978 0.727 1.00 0.00 H new ATOM 954 N ASN B 42 -4.882 -1.241 -0.987 1.00 0.00 N ATOM 955 CA ASN B 42 -3.934 -1.786 -1.952 1.00 0.00 C ATOM 956 C ASN B 42 -2.548 -1.930 -1.326 1.00 0.00 C ATOM 957 O ASN B 42 -1.727 -1.018 -1.405 1.00 0.00 O ATOM 958 CB ASN B 42 -3.854 -0.890 -3.190 1.00 0.00 C ATOM 959 CG ASN B 42 -3.052 -1.521 -4.312 1.00 0.00 C ATOM 960 OD1 ASN B 42 -2.985 -2.746 -4.430 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.438 -0.688 -5.145 1.00 0.00 N ATOM 0 H ASN B 42 -4.465 -0.972 -0.096 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.287 -2.773 -2.251 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.862 -0.675 -3.545 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.402 0.063 -2.916 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -1.885 -1.056 -5.919 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.520 0.320 -5.011 1.00 0.00 H new ATOM 968 N PRO B 43 -2.273 -3.081 -0.684 1.00 0.00 N ATOM 969 CA PRO B 43 -0.980 -3.336 -0.039 1.00 0.00 C ATOM 970 C PRO B 43 0.115 -3.687 -1.042 1.00 0.00 C ATOM 971 O PRO B 43 1.134 -4.279 -0.679 1.00 0.00 O ATOM 972 CB PRO B 43 -1.277 -4.530 0.864 1.00 0.00 C ATOM 973 CG PRO B 43 -2.362 -5.268 0.160 1.00 0.00 C ATOM 974 CD PRO B 43 -3.199 -4.222 -0.529 1.00 0.00 C ATOM 0 HA PRO B 43 -0.605 -2.459 0.489 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.394 -5.155 0.999 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.594 -4.208 1.856 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -1.949 -5.974 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -2.961 -5.845 0.864 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.566 -4.574 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.072 -3.952 0.065 1.00 0.00 H new ATOM 982 N ALA B 44 -0.098 -3.318 -2.303 1.00 0.00 N ATOM 983 CA ALA B 44 0.872 -3.594 -3.357 1.00 0.00 C ATOM 984 C ALA B 44 1.147 -5.090 -3.470 1.00 0.00 C ATOM 985 O ALA B 44 2.225 -5.501 -3.895 1.00 0.00 O ATOM 986 CB ALA B 44 2.167 -2.838 -3.096 1.00 0.00 C ATOM 0 H ALA B 44 -0.934 -2.827 -2.619 1.00 0.00 H new ATOM 0 HA ALA B 44 0.450 -3.254 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.881 -3.054 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.965 -1.767 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.584 -3.151 -2.139 1.00 0.00 H new ATOM 992 N ALA B 45 0.161 -5.898 -3.093 1.00 0.00 N ATOM 993 CA ALA B 45 0.298 -7.350 -3.148 1.00 0.00 C ATOM 994 C ALA B 45 0.524 -7.837 -4.576 1.00 0.00 C ATOM 995 O ALA B 45 0.793 -9.018 -4.804 1.00 0.00 O ATOM 996 CB ALA B 45 -0.935 -8.017 -2.554 1.00 0.00 C ATOM 0 H ALA B 45 -0.741 -5.572 -2.746 1.00 0.00 H new ATOM 0 HA ALA B 45 1.173 -7.625 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.821 -9.100 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -1.050 -7.709 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.818 -7.720 -3.121 1.00 0.00 H new ATOM 1002 N SER B 46 0.416 -6.924 -5.536 1.00 0.00 N ATOM 1003 CA SER B 46 0.608 -7.263 -6.942 1.00 0.00 C ATOM 1004 C SER B 46 2.088 -7.470 -7.259 1.00 0.00 C ATOM 1005 O SER B 46 2.435 -8.233 -8.160 1.00 0.00 O ATOM 1006 CB SER B 46 0.033 -6.164 -7.836 1.00 0.00 C ATOM 1007 OG SER B 46 0.209 -6.475 -9.207 1.00 0.00 O ATOM 0 H SER B 46 0.196 -5.943 -5.366 1.00 0.00 H new ATOM 0 HA SER B 46 0.080 -8.196 -7.138 1.00 0.00 H new ATOM 0 HB2 SER B 46 -1.028 -6.036 -7.623 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.520 -5.216 -7.610 1.00 0.00 H new ATOM 0 HG SER B 46 -0.169 -5.757 -9.756 1.00 0.00 H new ATOM 1013 N VAL B 47 2.953 -6.788 -6.514 1.00 0.00 N ATOM 1014 CA VAL B 47 4.393 -6.899 -6.722 1.00 0.00 C ATOM 1015 C VAL B 47 5.141 -7.012 -5.398 1.00 0.00 C ATOM 1016 O VAL B 47 6.027 -7.853 -5.246 1.00 0.00 O ATOM 1017 CB VAL B 47 4.940 -5.694 -7.514 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.404 -5.713 -8.937 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.582 -4.388 -6.824 1.00 0.00 C ATOM 0 H VAL B 47 2.682 -6.154 -5.762 1.00 0.00 H new ATOM 0 HA VAL B 47 4.558 -7.809 -7.300 1.00 0.00 H new ATOM 0 HB VAL B 47 6.027 -5.769 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.798 -4.857 -9.486 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.714 -6.634 -9.430 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.315 -5.661 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL B 47 4.978 -3.552 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.498 -4.299 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.013 -4.375 -5.823 1.00 0.00 H new ATOM 1029 N LEU B 48 4.779 -6.162 -4.442 1.00 0.00 N ATOM 1030 CA LEU B 48 5.417 -6.171 -3.132 1.00 0.00 C ATOM 1031 C LEU B 48 4.828 -7.273 -2.257 1.00 0.00 C ATOM 1032 O LEU B 48 3.631 -7.281 -1.974 1.00 0.00 O ATOM 1033 CB LEU B 48 5.251 -4.811 -2.447 1.00 0.00 C ATOM 1034 CG LEU B 48 5.544 -3.595 -3.330 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.473 -2.317 -2.508 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.906 -3.725 -3.995 1.00 0.00 C ATOM 0 H LEU B 48 4.048 -5.459 -4.551 1.00 0.00 H new ATOM 0 HA LEU B 48 6.480 -6.367 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.229 -4.732 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.910 -4.777 -1.579 1.00 0.00 H new ATOM 0 HG LEU B 48 4.787 -3.549 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.683 -1.460 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.476 -2.214 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.209 -2.359 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.092 -2.850 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.679 -3.797 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU B 48 6.924 -4.621 -4.615 1.00 0.00 H new ATOM 1048 N LYS B 49 5.680 -8.203 -1.833 1.00 0.00 N ATOM 1049 CA LYS B 49 5.244 -9.314 -0.996 1.00 0.00 C ATOM 1050 C LYS B 49 5.222 -8.913 0.476 1.00 0.00 C ATOM 1051 O LYS B 49 6.131 -8.242 0.960 1.00 0.00 O ATOM 1052 CB LYS B 49 6.164 -10.519 -1.194 1.00 0.00 C ATOM 1053 CG LYS B 49 5.733 -11.750 -0.412 1.00 0.00 C ATOM 1054 CD LYS B 49 6.690 -12.913 -0.622 1.00 0.00 C ATOM 1055 CE LYS B 49 7.927 -12.794 0.256 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.778 -11.633 -0.125 1.00 0.00 N ATOM 0 H LYS B 49 6.675 -8.208 -2.056 1.00 0.00 H new ATOM 0 HA LYS B 49 4.231 -9.585 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.200 -10.767 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.176 -10.246 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.682 -11.508 0.649 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.730 -12.044 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.177 -13.849 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS B 49 6.990 -12.952 -1.669 1.00 0.00 H new ATOM 0 HE2 LYS B 49 7.623 -12.693 1.298 1.00 0.00 H new ATOM 0 HE3 LYS B 49 8.512 -13.711 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.771 -11.839 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.691 -11.459 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 8.468 -10.789 0.398 1.00 0.00 H new ATOM 1070 N ARG B 50 4.177 -9.334 1.182 1.00 0.00 N ATOM 1071 CA ARG B 50 4.034 -9.020 2.599 1.00 0.00 C ATOM 1072 C ARG B 50 4.650 -10.117 3.461 1.00 0.00 C ATOM 1073 O ARG B 50 4.569 -11.300 3.128 1.00 0.00 O ATOM 1074 CB ARG B 50 2.558 -8.842 2.956 1.00 0.00 C ATOM 1075 CG ARG B 50 2.322 -8.467 4.411 1.00 0.00 C ATOM 1076 CD ARG B 50 0.843 -8.296 4.711 1.00 0.00 C ATOM 1077 NE ARG B 50 0.086 -9.519 4.451 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.219 -9.639 4.671 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -1.912 -8.616 5.154 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -1.835 -10.784 4.408 1.00 0.00 N ATOM 0 H ARG B 50 3.417 -9.894 0.796 1.00 0.00 H new ATOM 0 HA ARG B 50 4.562 -8.087 2.796 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.129 -8.070 2.317 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.026 -9.768 2.738 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.738 -9.239 5.058 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.850 -7.541 4.639 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.716 -8.006 5.754 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.441 -7.485 4.103 1.00 0.00 H new ATOM 0 HE ARG B 50 0.588 -10.326 4.080 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.443 -7.733 5.358 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -2.914 -8.712 5.321 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.307 -11.574 4.036 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -2.837 -10.875 4.577 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.930 0.712 18.358 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.407 1.364 17.162 1.00 0.00 C ATOM 1351 C GLU B 71 -0.460 0.422 15.963 1.00 0.00 C ATOM 1352 O GLU B 71 -0.507 -0.797 16.120 1.00 0.00 O ATOM 1353 CB GLU B 71 1.030 1.832 17.397 1.00 0.00 C ATOM 1354 CG GLU B 71 1.985 0.707 17.766 1.00 0.00 C ATOM 1355 CD GLU B 71 3.402 1.196 17.990 1.00 0.00 C ATOM 1356 OE1 GLU B 71 4.181 1.224 17.013 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.734 1.549 19.140 1.00 0.00 O ATOM 0 HA GLU B 71 -1.032 2.231 16.948 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.394 2.325 16.496 1.00 0.00 H new ATOM 0 HB3 GLU B 71 1.035 2.577 18.193 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.628 0.214 18.670 1.00 0.00 H new ATOM 0 HG3 GLU B 71 1.984 -0.041 16.973 1.00 0.00 H new ATOM 1364 N SER B 72 -0.452 0.999 14.766 1.00 0.00 N ATOM 1365 CA SER B 72 -0.498 0.212 13.538 1.00 0.00 C ATOM 1366 C SER B 72 0.905 -0.047 13.003 1.00 0.00 C ATOM 1367 O SER B 72 1.776 0.820 13.069 1.00 0.00 O ATOM 1368 CB SER B 72 -1.335 0.930 12.479 1.00 0.00 C ATOM 1369 OG SER B 72 -2.664 1.131 12.926 1.00 0.00 O ATOM 0 H SER B 72 -0.414 2.008 14.620 1.00 0.00 H new ATOM 0 HA SER B 72 -0.961 -0.747 13.769 1.00 0.00 H new ATOM 0 HB2 SER B 72 -0.879 1.891 12.242 1.00 0.00 H new ATOM 0 HB3 SER B 72 -1.342 0.345 11.559 1.00 0.00 H new ATOM 0 HG SER B 72 -3.082 1.843 12.398 1.00 0.00 H new ATOM 1375 N THR B 73 1.118 -1.248 12.474 1.00 0.00 N ATOM 1376 CA THR B 73 2.417 -1.624 11.926 1.00 0.00 C ATOM 1377 C THR B 73 2.255 -2.442 10.650 1.00 0.00 C ATOM 1378 O THR B 73 1.748 -3.566 10.681 1.00 0.00 O ATOM 1379 CB THR B 73 3.241 -2.436 12.944 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.390 -1.690 14.159 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.614 -2.775 12.382 1.00 0.00 C ATOM 0 H THR B 73 0.408 -1.978 12.413 1.00 0.00 H new ATOM 0 HA THR B 73 2.947 -0.699 11.698 1.00 0.00 H new ATOM 0 HB THR B 73 2.710 -3.365 13.149 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.913 -2.213 14.802 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.177 -3.348 13.118 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.499 -3.365 11.473 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.150 -1.854 12.151 1.00 0.00 H new ATOM 1389 N TRP B 74 2.686 -1.873 9.529 1.00 0.00 N ATOM 1390 CA TRP B 74 2.589 -2.549 8.241 1.00 0.00 C ATOM 1391 C TRP B 74 3.974 -2.872 7.689 1.00 0.00 C ATOM 1392 O TRP B 74 4.759 -1.971 7.394 1.00 0.00 O ATOM 1393 CB TRP B 74 1.825 -1.678 7.241 1.00 0.00 C ATOM 1394 CG TRP B 74 0.513 -1.176 7.760 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.247 0.072 8.242 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -0.713 -1.912 7.852 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.070 0.160 8.623 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -1.681 -1.046 8.393 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -1.086 -3.218 7.524 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.996 -1.444 8.617 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.393 -3.613 7.746 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.334 -2.727 8.287 1.00 0.00 C ATOM 0 H TRP B 74 3.106 -0.945 9.487 1.00 0.00 H new ATOM 0 HA TRP B 74 2.048 -3.483 8.391 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.447 -0.826 6.965 1.00 0.00 H new ATOM 0 HB3 TRP B 74 1.650 -2.253 6.331 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.967 0.874 8.314 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.520 0.988 9.013 1.00 0.00 H new ATOM 0 HE3 TRP B 74 -0.367 -3.906 7.105 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.723 -0.764 9.036 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.693 -4.621 7.498 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.347 -3.065 8.447 1.00 0.00 H new ATOM 1413 N ARG B 75 4.266 -4.162 7.552 1.00 0.00 N ATOM 1414 CA ARG B 75 5.557 -4.599 7.031 1.00 0.00 C ATOM 1415 C ARG B 75 5.425 -5.089 5.592 1.00 0.00 C ATOM 1416 O ARG B 75 4.499 -5.831 5.261 1.00 0.00 O ATOM 1417 CB ARG B 75 6.138 -5.709 7.908 1.00 0.00 C ATOM 1418 CG ARG B 75 6.379 -5.284 9.347 1.00 0.00 C ATOM 1419 CD ARG B 75 5.409 -5.962 10.299 1.00 0.00 C ATOM 1420 NE ARG B 75 5.563 -7.413 10.295 1.00 0.00 N ATOM 1421 CZ ARG B 75 5.531 -8.163 11.393 1.00 0.00 C ATOM 1422 NH1 ARG B 75 5.354 -7.598 12.580 1.00 0.00 N ATOM 1423 NH2 ARG B 75 5.676 -9.476 11.305 1.00 0.00 N ATOM 0 H ARG B 75 3.628 -4.921 7.794 1.00 0.00 H new ATOM 0 HA ARG B 75 6.233 -3.744 7.045 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.458 -6.561 7.899 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.080 -6.047 7.475 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.402 -5.529 9.633 1.00 0.00 H new ATOM 0 HG3 ARG B 75 6.275 -4.202 9.430 1.00 0.00 H new ATOM 0 HD2 ARG B 75 5.568 -5.583 11.309 1.00 0.00 H new ATOM 0 HD3 ARG B 75 4.387 -5.705 10.019 1.00 0.00 H new ATOM 0 HE ARG B 75 5.703 -7.879 9.399 1.00 0.00 H new ATOM 0 HH11 ARG B 75 5.242 -6.587 12.652 1.00 0.00 H new ATOM 0 HH12 ARG B 75 5.330 -8.175 13.421 1.00 0.00 H new ATOM 0 HH21 ARG B 75 5.813 -9.914 10.394 1.00 0.00 H new ATOM 0 HH22 ARG B 75 5.651 -10.049 12.148 1.00 0.00 H new ATOM 1437 N PHE B 76 6.355 -4.670 4.740 1.00 0.00 N ATOM 1438 CA PHE B 76 6.342 -5.066 3.336 1.00 0.00 C ATOM 1439 C PHE B 76 7.750 -5.372 2.835 1.00 0.00 C ATOM 1440 O PHE B 76 8.739 -4.915 3.409 1.00 0.00 O ATOM 1441 CB PHE B 76 5.715 -3.965 2.478 1.00 0.00 C ATOM 1442 CG PHE B 76 4.266 -3.710 2.785 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.279 -4.534 2.266 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.892 -2.646 3.588 1.00 0.00 C ATOM 1445 CE1 PHE B 76 1.947 -4.302 2.545 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.561 -2.409 3.871 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.586 -3.238 3.348 1.00 0.00 C ATOM 0 H PHE B 76 7.128 -4.056 4.997 1.00 0.00 H new ATOM 0 HA PHE B 76 5.743 -5.973 3.252 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.276 -3.041 2.622 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.812 -4.236 1.427 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.555 -5.367 1.636 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.649 -1.994 3.998 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.188 -4.952 2.136 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.282 -1.577 4.500 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.545 -3.054 3.567 1.00 0.00 H new ATOM 1457 N ARG B 77 7.825 -6.150 1.759 1.00 0.00 N ATOM 1458 CA ARG B 77 9.104 -6.526 1.164 1.00 0.00 C ATOM 1459 C ARG B 77 8.969 -6.663 -0.348 1.00 0.00 C ATOM 1460 O ARG B 77 7.991 -7.219 -0.845 1.00 0.00 O ATOM 1461 CB ARG B 77 9.603 -7.846 1.766 1.00 0.00 C ATOM 1462 CG ARG B 77 10.711 -8.515 0.962 1.00 0.00 C ATOM 1463 CD ARG B 77 11.988 -7.689 0.958 1.00 0.00 C ATOM 1464 NE ARG B 77 13.104 -8.419 0.367 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.305 -8.514 0.931 1.00 0.00 C ATOM 1466 NH1 ARG B 77 14.547 -7.915 2.090 1.00 0.00 N ATOM 1467 NH2 ARG B 77 15.266 -9.207 0.336 1.00 0.00 N ATOM 0 H ARG B 77 7.011 -6.534 1.279 1.00 0.00 H new ATOM 0 HA ARG B 77 9.828 -5.741 1.382 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.965 -7.658 2.777 1.00 0.00 H new ATOM 0 HB3 ARG B 77 8.763 -8.535 1.851 1.00 0.00 H new ATOM 0 HG2 ARG B 77 10.918 -9.501 1.379 1.00 0.00 H new ATOM 0 HG3 ARG B 77 10.374 -8.667 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.822 -6.766 0.402 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.240 -7.405 1.980 1.00 0.00 H new ATOM 0 HE ARG B 77 12.955 -8.883 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.811 -7.380 2.551 1.00 0.00 H new ATOM 0 HH12 ARG B 77 15.469 -7.990 2.520 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.085 -9.668 -0.556 1.00 0.00 H new ATOM 0 HH22 ARG B 77 16.186 -9.279 0.770 1.00 0.00 H new ATOM 1481 N VAL B 78 9.956 -6.151 -1.076 1.00 0.00 N ATOM 1482 CA VAL B 78 9.940 -6.221 -2.534 1.00 0.00 C ATOM 1483 C VAL B 78 10.514 -7.549 -3.017 1.00 0.00 C ATOM 1484 O VAL B 78 11.656 -7.891 -2.713 1.00 0.00 O ATOM 1485 CB VAL B 78 10.737 -5.062 -3.160 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.518 -5.013 -4.664 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.344 -3.741 -2.513 1.00 0.00 C ATOM 0 H VAL B 78 10.774 -5.685 -0.683 1.00 0.00 H new ATOM 0 HA VAL B 78 8.900 -6.141 -2.851 1.00 0.00 H new ATOM 0 HB VAL B 78 11.798 -5.232 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.089 -4.187 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.849 -5.951 -5.111 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.458 -4.866 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL B 78 10.915 -2.930 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.279 -3.564 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.556 -3.782 -1.445 1.00 0.00 H new ATOM 1497 N ALA B 79 9.713 -8.296 -3.773 1.00 0.00 N ATOM 1498 CA ALA B 79 10.136 -9.594 -4.287 1.00 0.00 C ATOM 1499 C ALA B 79 10.408 -9.547 -5.788 1.00 0.00 C ATOM 1500 O ALA B 79 11.413 -10.081 -6.260 1.00 0.00 O ATOM 1501 CB ALA B 79 9.085 -10.648 -3.976 1.00 0.00 C ATOM 0 H ALA B 79 8.768 -8.024 -4.043 1.00 0.00 H new ATOM 0 HA ALA B 79 11.070 -9.859 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA B 79 9.411 -11.613 -4.364 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.949 -10.718 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.141 -10.369 -4.444 1.00 0.00 H new ATOM 1507 N ALA B 80 9.511 -8.910 -6.536 1.00 0.00 N ATOM 1508 CA ALA B 80 9.664 -8.812 -7.984 1.00 0.00 C ATOM 1509 C ALA B 80 9.411 -7.396 -8.475 1.00 0.00 C ATOM 1510 O ALA B 80 9.116 -6.496 -7.690 1.00 0.00 O ATOM 1511 CB ALA B 80 8.728 -9.780 -8.687 1.00 0.00 C ATOM 0 H ALA B 80 8.676 -8.457 -6.166 1.00 0.00 H new ATOM 0 HA ALA B 80 10.694 -9.076 -8.224 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.857 -9.692 -9.766 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.958 -10.799 -8.376 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.697 -9.544 -8.424 1.00 0.00 H new ATOM 1517 N SER B 81 9.530 -7.212 -9.784 1.00 0.00 N ATOM 1518 CA SER B 81 9.319 -5.918 -10.395 1.00 0.00 C ATOM 1519 C SER B 81 7.837 -5.655 -10.606 1.00 0.00 C ATOM 1520 O SER B 81 6.986 -6.377 -10.086 1.00 0.00 O ATOM 1521 CB SER B 81 10.058 -5.848 -11.726 1.00 0.00 C ATOM 1522 OG SER B 81 9.268 -6.372 -12.778 1.00 0.00 O ATOM 0 H SER B 81 9.774 -7.952 -10.442 1.00 0.00 H new ATOM 0 HA SER B 81 9.710 -5.151 -9.726 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.320 -4.813 -11.945 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.992 -6.406 -11.656 1.00 0.00 H new ATOM 0 HG SER B 81 9.765 -6.314 -13.621 1.00 0.00 H new ATOM 1528 N GLY B 82 7.543 -4.622 -11.378 1.00 0.00 N ATOM 1529 CA GLY B 82 6.164 -4.262 -11.656 1.00 0.00 C ATOM 1530 C GLY B 82 5.766 -2.951 -11.009 1.00 0.00 C ATOM 1531 O GLY B 82 6.359 -2.539 -10.013 1.00 0.00 O ATOM 0 H GLY B 82 8.238 -4.021 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.021 -4.190 -12.734 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.506 -5.054 -11.299 1.00 0.00 H new ATOM 1535 N ASP B 83 4.758 -2.299 -11.575 1.00 0.00 N ATOM 1536 CA ASP B 83 4.280 -1.027 -11.058 1.00 0.00 C ATOM 1537 C ASP B 83 3.154 -1.232 -10.051 1.00 0.00 C ATOM 1538 O ASP B 83 2.327 -2.131 -10.201 1.00 0.00 O ATOM 1539 CB ASP B 83 3.796 -0.150 -12.210 1.00 0.00 C ATOM 1540 CG ASP B 83 2.792 -0.858 -13.096 1.00 0.00 C ATOM 1541 OD1 ASP B 83 1.579 -0.760 -12.813 1.00 0.00 O ATOM 1542 OD2 ASP B 83 3.217 -1.510 -14.072 1.00 0.00 O ATOM 0 H ASP B 83 4.255 -2.634 -12.396 1.00 0.00 H new ATOM 0 HA ASP B 83 5.106 -0.533 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.344 0.757 -11.807 1.00 0.00 H new ATOM 0 HB3 ASP B 83 4.651 0.160 -12.811 1.00 0.00 H new ATOM 1547 N ASP B 84 3.131 -0.391 -9.024 1.00 0.00 N ATOM 1548 CA ASP B 84 2.106 -0.471 -7.992 1.00 0.00 C ATOM 1549 C ASP B 84 1.984 0.854 -7.245 1.00 0.00 C ATOM 1550 O ASP B 84 2.733 1.801 -7.499 1.00 0.00 O ATOM 1551 CB ASP B 84 2.425 -1.595 -7.004 1.00 0.00 C ATOM 1552 CG ASP B 84 3.540 -1.226 -6.045 1.00 0.00 C ATOM 1553 OD1 ASP B 84 4.718 -1.454 -6.387 1.00 0.00 O ATOM 1554 OD2 ASP B 84 3.233 -0.709 -4.951 1.00 0.00 O ATOM 0 H ASP B 84 3.812 0.355 -8.884 1.00 0.00 H new ATOM 0 HA ASP B 84 1.155 -0.687 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.528 -1.840 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.707 -2.491 -7.557 1.00 0.00 H new ATOM 1559 N ARG B 85 1.037 0.911 -6.321 1.00 0.00 N ATOM 1560 CA ARG B 85 0.809 2.109 -5.533 1.00 0.00 C ATOM 1561 C ARG B 85 0.118 1.762 -4.223 1.00 0.00 C ATOM 1562 O ARG B 85 -1.088 1.512 -4.194 1.00 0.00 O ATOM 1563 CB ARG B 85 -0.035 3.107 -6.322 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.346 4.374 -5.549 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.204 5.329 -6.360 1.00 0.00 C ATOM 1566 NE ARG B 85 -1.520 6.548 -5.619 1.00 0.00 N ATOM 1567 CZ ARG B 85 -2.386 7.463 -6.040 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -3.020 7.302 -7.195 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -2.617 8.545 -5.308 1.00 0.00 N ATOM 0 H ARG B 85 0.412 0.136 -6.099 1.00 0.00 H new ATOM 0 HA ARG B 85 1.774 2.563 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.490 3.370 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.970 2.630 -6.615 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.861 4.118 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.585 4.868 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.683 5.590 -7.281 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -2.129 4.830 -6.647 1.00 0.00 H new ATOM 0 HE ARG B 85 -1.049 6.705 -4.728 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.843 6.473 -7.763 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -3.684 8.007 -7.515 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -2.129 8.675 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -3.282 9.247 -5.632 1.00 0.00 H new ATOM 1583 N LEU B 86 0.888 1.742 -3.140 1.00 0.00 N ATOM 1584 CA LEU B 86 0.347 1.423 -1.827 1.00 0.00 C ATOM 1585 C LEU B 86 -0.848 2.313 -1.511 1.00 0.00 C ATOM 1586 O LEU B 86 -0.889 3.476 -1.912 1.00 0.00 O ATOM 1587 CB LEU B 86 1.428 1.580 -0.758 1.00 0.00 C ATOM 1588 CG LEU B 86 1.245 0.701 0.480 1.00 0.00 C ATOM 1589 CD1 LEU B 86 1.384 -0.770 0.118 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.248 1.081 1.559 1.00 0.00 C ATOM 0 H LEU B 86 1.888 1.943 -3.147 1.00 0.00 H new ATOM 0 HA LEU B 86 0.010 0.386 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.396 1.354 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.458 2.623 -0.443 1.00 0.00 H new ATOM 0 HG LEU B 86 0.241 0.865 0.870 1.00 0.00 H new ATOM 0 HD11 LEU B 86 1.251 -1.379 1.012 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.626 -1.037 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.375 -0.950 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU B 86 2.102 0.445 2.432 1.00 0.00 H new ATOM 0 HD22 LEU B 86 3.260 0.948 1.178 1.00 0.00 H new ATOM 0 HD23 LEU B 86 2.101 2.123 1.841 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.820 1.763 -0.790 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.022 2.511 -0.439 1.00 0.00 C ATOM 1604 C GLU B 87 -3.522 2.153 0.956 1.00 0.00 C ATOM 1605 O GLU B 87 -3.900 1.011 1.219 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.122 2.247 -1.466 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.967 3.058 -2.742 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.533 4.457 -2.615 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.489 4.780 -3.350 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -4.028 5.228 -1.772 1.00 0.00 O ATOM 0 H GLU B 87 -1.799 0.806 -0.439 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.764 3.570 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.127 1.186 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.089 2.472 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.910 3.120 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -4.468 2.540 -3.560 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.520 3.141 1.846 1.00 0.00 N ATOM 1618 CA LEU B 88 -3.989 2.950 3.213 1.00 0.00 C ATOM 1619 C LEU B 88 -4.963 4.058 3.593 1.00 0.00 C ATOM 1620 O LEU B 88 -4.828 5.192 3.141 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.814 2.935 4.194 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.834 1.773 4.024 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.826 2.077 2.929 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.127 1.478 5.336 1.00 0.00 C ATOM 0 H LEU B 88 -3.197 4.087 1.642 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.499 1.988 3.267 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.264 3.870 4.091 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.210 2.909 5.209 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.398 0.888 3.731 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.138 1.238 2.824 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.350 2.237 1.986 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.266 2.975 3.189 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.433 0.649 5.197 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.576 2.361 5.659 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.863 1.212 6.094 1.00 0.00 H new ATOM 1636 N VAL B 89 -5.950 3.727 4.419 1.00 0.00 N ATOM 1637 CA VAL B 89 -6.941 4.709 4.847 1.00 0.00 C ATOM 1638 C VAL B 89 -7.265 4.554 6.330 1.00 0.00 C ATOM 1639 O VAL B 89 -6.965 3.526 6.935 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.239 4.594 4.024 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -7.941 4.677 2.534 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -8.978 3.305 4.357 1.00 0.00 C ATOM 0 H VAL B 89 -6.085 2.792 4.804 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.505 5.694 4.679 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.884 5.432 4.288 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -8.871 4.594 1.972 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.466 5.632 2.311 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.272 3.864 2.251 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.891 3.245 3.764 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.341 2.451 4.129 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.232 3.295 5.417 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.885 5.581 6.905 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.241 5.568 8.320 1.00 0.00 C ATOM 1654 C TYR B 90 -9.752 5.486 8.508 1.00 0.00 C ATOM 1655 O TYR B 90 -10.451 6.497 8.455 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.693 6.824 9.002 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.997 6.916 10.480 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.709 7.994 10.993 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.570 5.933 11.363 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.987 8.088 12.342 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.844 6.019 12.713 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.551 7.098 13.199 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.826 7.188 14.544 1.00 0.00 O ATOM 0 H TYR B 90 -8.151 6.433 6.412 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.797 4.683 8.777 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.612 6.856 8.863 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.104 7.702 8.504 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.050 8.771 10.325 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -7.014 5.087 10.987 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.543 8.931 12.724 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.506 5.244 13.386 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.450 6.411 15.007 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.246 4.272 8.726 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.675 4.049 8.924 1.00 0.00 C ATOM 1675 C ARG B 91 -11.932 2.647 9.465 1.00 0.00 C ATOM 1676 O ARG B 91 -11.042 1.797 9.458 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.433 4.250 7.612 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.945 3.354 6.484 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.750 3.568 5.212 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.259 2.745 4.111 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.008 2.376 3.075 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.274 2.757 3.000 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.486 1.626 2.115 1.00 0.00 N ATOM 0 H ARG B 91 -9.678 3.426 8.770 1.00 0.00 H new ATOM 0 HA ARG B 91 -12.034 4.775 9.654 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.493 4.062 7.782 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.340 5.291 7.304 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.892 3.556 6.287 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.017 2.310 6.790 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.797 3.333 5.402 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.706 4.619 4.927 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.287 2.435 4.137 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.677 3.335 3.738 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.846 2.473 2.205 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.511 1.332 2.171 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.059 1.343 1.320 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.154 2.413 9.934 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.524 1.111 10.477 1.00 0.00 C ATOM 1699 C ARG B 92 -13.363 0.021 9.414 1.00 0.00 C ATOM 1700 O ARG B 92 -14.001 0.073 8.362 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.965 1.146 10.993 1.00 0.00 C ATOM 1702 CG ARG B 92 -15.226 2.286 11.967 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.622 2.207 12.567 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.920 3.358 13.415 1.00 0.00 N ATOM 1705 CZ ARG B 92 -18.150 3.704 13.782 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -19.193 2.992 13.378 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -18.338 4.764 14.557 1.00 0.00 N ATOM 0 H ARG B 92 -13.902 3.106 9.949 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.860 0.879 11.309 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.645 1.237 10.146 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -15.192 0.199 11.483 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.485 2.259 12.766 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -15.105 3.239 11.452 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.358 2.147 11.765 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.714 1.292 13.153 1.00 0.00 H new ATOM 0 HE ARG B 92 -16.141 3.928 13.744 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -19.053 2.175 12.783 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -20.135 3.261 13.662 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.539 5.314 14.872 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -19.282 5.029 14.838 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.500 -0.983 9.674 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.241 -2.075 8.726 1.00 0.00 C ATOM 1723 C PRO B 93 -13.494 -2.864 8.346 1.00 0.00 C ATOM 1724 O PRO B 93 -13.576 -3.413 7.248 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.258 -2.980 9.477 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.636 -2.100 10.506 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.711 -1.135 10.908 1.00 0.00 C ATOM 0 HA PRO B 93 -11.863 -1.687 7.780 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -11.771 -3.824 9.937 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.507 -3.392 8.803 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -10.289 -2.680 11.361 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.769 -1.577 10.103 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.315 -1.523 11.728 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.295 -0.184 11.241 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.466 -2.920 9.252 1.00 0.00 N ATOM 1736 CA TRP B 94 -15.699 -3.658 8.992 1.00 0.00 C ATOM 1737 C TRP B 94 -16.663 -2.853 8.120 1.00 0.00 C ATOM 1738 O TRP B 94 -17.841 -3.190 8.011 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.381 -4.046 10.306 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.646 -2.886 11.214 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -17.613 -1.933 11.066 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -15.943 -2.561 12.416 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.548 -1.032 12.100 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.531 -1.396 12.942 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -14.868 -3.141 13.100 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.084 -0.802 14.117 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.427 -2.548 14.268 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.032 -1.388 14.766 1.00 0.00 C ATOM 0 H TRP B 94 -14.425 -2.468 10.165 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.429 -4.564 8.449 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.325 -4.543 10.082 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -15.756 -4.770 10.829 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.325 -1.894 10.255 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.158 -0.223 12.221 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.393 -4.034 12.722 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -16.551 0.091 14.504 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -13.600 -2.988 14.806 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -14.661 -0.947 15.680 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.155 -1.793 7.495 1.00 0.00 N ATOM 1760 CA GLU B 95 -16.979 -0.955 6.627 1.00 0.00 C ATOM 1761 C GLU B 95 -16.534 -1.080 5.173 1.00 0.00 C ATOM 1762 O GLU B 95 -15.373 -0.833 4.846 1.00 0.00 O ATOM 1763 CB GLU B 95 -16.911 0.508 7.067 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.524 0.763 8.430 1.00 0.00 C ATOM 1765 CD GLU B 95 -17.688 2.241 8.729 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -16.683 2.891 9.087 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -18.822 2.751 8.600 1.00 0.00 O ATOM 0 H GLU B 95 -15.183 -1.495 7.573 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.010 -1.300 6.709 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -15.868 0.826 7.082 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.422 1.125 6.327 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.497 0.275 8.483 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.897 0.308 9.197 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.465 -1.464 4.308 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.172 -1.623 2.888 1.00 0.00 C ATOM 1776 C LYS B 96 -16.873 -0.273 2.242 1.00 0.00 C ATOM 1777 O LYS B 96 -15.855 -0.109 1.569 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.344 -2.295 2.168 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.493 -3.777 2.484 1.00 0.00 C ATOM 1780 CD LYS B 96 -18.970 -4.005 3.909 1.00 0.00 C ATOM 1781 CE LYS B 96 -19.144 -5.485 4.208 1.00 0.00 C ATOM 1782 NZ LYS B 96 -19.610 -5.721 5.604 1.00 0.00 N ATOM 0 H LYS B 96 -18.430 -1.671 4.565 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.290 -2.258 2.797 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.267 -1.781 2.438 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.215 -2.174 1.092 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.200 -4.228 1.788 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -17.536 -4.278 2.336 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -18.253 -3.574 4.607 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -19.917 -3.488 4.064 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -19.861 -5.914 3.509 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -18.197 -6.001 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -19.716 -6.743 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -18.913 -5.334 6.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -20.526 -5.251 5.748 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.766 0.688 2.451 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.597 2.023 1.889 1.00 0.00 C ATOM 1798 C ASP B 97 -18.056 3.093 2.874 1.00 0.00 C ATOM 1799 O ASP B 97 -19.254 3.291 3.078 1.00 0.00 O ATOM 1800 CB ASP B 97 -18.380 2.151 0.580 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.921 1.156 -0.467 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.004 1.492 -1.245 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.481 0.040 -0.510 1.00 0.00 O ATOM 0 H ASP B 97 -18.614 0.568 3.005 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.536 2.172 1.688 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -19.441 2.002 0.779 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.268 3.163 0.190 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.094 3.778 3.485 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.396 4.829 4.448 1.00 0.00 C ATOM 1810 C ALA B 98 -16.328 5.915 4.416 1.00 0.00 C ATOM 1811 O ALA B 98 -15.133 5.626 4.493 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.519 4.246 5.848 1.00 0.00 C ATOM 0 H ALA B 98 -16.098 3.623 3.329 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.349 5.280 4.173 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.745 5.044 6.556 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.321 3.508 5.866 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.580 3.768 6.127 1.00 0.00 H new ATOM 1818 N GLU B 99 -16.765 7.166 4.298 1.00 0.00 N ATOM 1819 CA GLU B 99 -15.843 8.295 4.255 1.00 0.00 C ATOM 1820 C GLU B 99 -14.911 8.289 5.465 1.00 0.00 C ATOM 1821 O GLU B 99 -15.364 8.398 6.605 1.00 0.00 O ATOM 1822 CB GLU B 99 -16.616 9.611 4.194 1.00 0.00 C ATOM 1823 CG GLU B 99 -17.193 9.902 2.822 1.00 0.00 C ATOM 1824 CD GLU B 99 -17.795 11.291 2.725 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -17.059 12.232 2.367 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -19.004 11.433 3.005 1.00 0.00 O ATOM 0 H GLU B 99 -17.750 7.422 4.231 1.00 0.00 H new ATOM 0 HA GLU B 99 -15.235 8.199 3.355 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -17.426 9.583 4.923 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -15.954 10.427 4.483 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -16.409 9.797 2.072 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -17.958 9.161 2.589 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.592 8.162 5.231 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.594 8.135 6.289 1.00 0.00 C ATOM 1835 C PRO B 100 -12.114 9.532 6.666 1.00 0.00 C ATOM 1836 O PRO B 100 -12.355 10.498 5.941 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.445 7.320 5.673 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.759 7.172 4.210 1.00 0.00 C ATOM 1839 CD PRO B 100 -12.959 8.033 3.918 1.00 0.00 C ATOM 0 HA PRO B 100 -12.988 7.711 7.212 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.491 7.827 5.815 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.362 6.344 6.152 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -10.908 7.480 3.602 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -11.965 6.130 3.965 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -12.672 9.002 3.510 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.625 7.566 3.192 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.433 9.632 7.803 1.00 0.00 N ATOM 1848 CA ALA B 101 -10.917 10.912 8.274 1.00 0.00 C ATOM 1849 C ALA B 101 -9.543 11.198 7.683 1.00 0.00 C ATOM 1850 O ALA B 101 -9.175 12.353 7.468 1.00 0.00 O ATOM 1851 CB ALA B 101 -10.855 10.930 9.794 1.00 0.00 C ATOM 0 H ALA B 101 -11.226 8.843 8.415 1.00 0.00 H new ATOM 0 HA ALA B 101 -11.598 11.696 7.941 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.468 11.892 10.131 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -11.855 10.779 10.201 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.198 10.133 10.141 1.00 0.00 H new ATOM 1857 N GLU B 102 -8.792 10.134 7.421 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.458 10.259 6.849 1.00 0.00 C ATOM 1859 C GLU B 102 -7.326 9.429 5.582 1.00 0.00 C ATOM 1860 O GLU B 102 -8.305 8.870 5.083 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.397 9.823 7.859 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.019 10.905 8.847 1.00 0.00 C ATOM 1863 CD GLU B 102 -5.030 10.424 9.891 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -5.475 9.928 10.947 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -3.810 10.544 9.651 1.00 0.00 O ATOM 0 H GLU B 102 -9.086 9.173 7.596 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.304 11.308 6.597 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.764 8.955 8.407 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.504 9.506 7.321 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -5.590 11.750 8.308 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -6.919 11.268 9.344 1.00 0.00 H new ATOM 1872 N SER B 103 -6.105 9.350 5.075 1.00 0.00 N ATOM 1873 CA SER B 103 -5.819 8.587 3.865 1.00 0.00 C ATOM 1874 C SER B 103 -4.318 8.529 3.606 1.00 0.00 C ATOM 1875 O SER B 103 -3.555 9.327 4.150 1.00 0.00 O ATOM 1876 CB SER B 103 -6.535 9.201 2.662 1.00 0.00 C ATOM 1877 OG SER B 103 -6.120 10.540 2.449 1.00 0.00 O ATOM 0 H SER B 103 -5.290 9.807 5.484 1.00 0.00 H new ATOM 0 HA SER B 103 -6.186 7.571 4.011 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.330 8.607 1.771 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.613 9.172 2.823 1.00 0.00 H new ATOM 0 HG SER B 103 -6.591 10.909 1.673 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.902 7.583 2.771 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.488 7.424 2.448 1.00 0.00 C ATOM 1885 C PHE B 104 -2.299 6.726 1.105 1.00 0.00 C ATOM 1886 O PHE B 104 -3.129 5.918 0.689 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.785 6.629 3.552 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.296 6.557 3.394 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.292 5.500 2.719 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.517 7.546 3.922 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.664 5.430 2.575 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.890 7.481 3.781 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.464 6.422 3.107 1.00 0.00 C ATOM 0 H PHE B 104 -4.520 6.917 2.307 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.046 8.418 2.377 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.017 7.082 4.516 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.188 5.616 3.570 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.329 4.722 2.301 1.00 0.00 H new ATOM 0 HD2 PHE B 104 0.073 8.377 4.450 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.111 4.600 2.047 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.514 8.258 4.198 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.537 6.369 2.996 1.00 0.00 H new ATOM 1903 N SER B 105 -1.199 7.052 0.429 1.00 0.00 N ATOM 1904 CA SER B 105 -0.884 6.459 -0.868 1.00 0.00 C ATOM 1905 C SER B 105 0.603 6.611 -1.173 1.00 0.00 C ATOM 1906 O SER B 105 1.130 7.722 -1.189 1.00 0.00 O ATOM 1907 CB SER B 105 -1.715 7.115 -1.972 1.00 0.00 C ATOM 1908 OG SER B 105 -1.330 8.464 -2.169 1.00 0.00 O ATOM 0 H SER B 105 -0.509 7.726 0.760 1.00 0.00 H new ATOM 0 HA SER B 105 -1.129 5.398 -0.830 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.593 6.560 -2.902 1.00 0.00 H new ATOM 0 HB3 SER B 105 -2.772 7.070 -1.711 1.00 0.00 H new ATOM 0 HG SER B 105 -0.425 8.601 -1.818 1.00 0.00 H new ATOM 1914 N CYS B 106 1.275 5.488 -1.418 1.00 0.00 N ATOM 1915 CA CYS B 106 2.703 5.506 -1.711 1.00 0.00 C ATOM 1916 C CYS B 106 2.986 5.066 -3.145 1.00 0.00 C ATOM 1917 O CYS B 106 2.481 4.040 -3.602 1.00 0.00 O ATOM 1918 CB CYS B 106 3.444 4.594 -0.731 1.00 0.00 C ATOM 1919 SG CYS B 106 5.245 4.529 -0.981 1.00 0.00 S ATOM 0 H CYS B 106 0.854 4.559 -1.419 1.00 0.00 H new ATOM 0 HA CYS B 106 3.057 6.531 -1.599 1.00 0.00 H new ATOM 0 HB2 CYS B 106 3.242 4.933 0.285 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.041 3.585 -0.817 1.00 0.00 H new ATOM 1924 N ALA B 107 3.801 5.849 -3.851 1.00 0.00 N ATOM 1925 CA ALA B 107 4.166 5.533 -5.229 1.00 0.00 C ATOM 1926 C ALA B 107 5.274 4.489 -5.246 1.00 0.00 C ATOM 1927 O ALA B 107 6.368 4.734 -4.738 1.00 0.00 O ATOM 1928 CB ALA B 107 4.608 6.791 -5.967 1.00 0.00 C ATOM 0 H ALA B 107 4.220 6.706 -3.490 1.00 0.00 H new ATOM 0 HA ALA B 107 3.292 5.128 -5.739 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.876 6.536 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.792 7.514 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.472 7.224 -5.463 1.00 0.00 H new ATOM 1934 N ILE B 108 4.998 3.322 -5.826 1.00 0.00 N ATOM 1935 CA ILE B 108 5.992 2.253 -5.854 1.00 0.00 C ATOM 1936 C ILE B 108 6.011 1.499 -7.182 1.00 0.00 C ATOM 1937 O ILE B 108 5.042 0.840 -7.547 1.00 0.00 O ATOM 1938 CB ILE B 108 5.736 1.244 -4.720 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.509 1.979 -3.396 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.900 0.271 -4.606 1.00 0.00 C ATOM 1941 CD1 ILE B 108 4.903 1.113 -2.311 1.00 0.00 C ATOM 0 H ILE B 108 4.111 3.096 -6.275 1.00 0.00 H new ATOM 0 HA ILE B 108 6.960 2.737 -5.722 1.00 0.00 H new ATOM 0 HB ILE B 108 4.836 0.674 -4.953 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.462 2.374 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.856 2.833 -3.573 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.705 -0.437 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.015 -0.271 -5.545 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.815 0.822 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE B 108 4.773 1.704 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE B 108 3.934 0.739 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.565 0.272 -2.104 1.00 0.00 H new ATOM 1953 N GLN B 109 7.129 1.598 -7.892 1.00 0.00 N ATOM 1954 CA GLN B 109 7.299 0.902 -9.164 1.00 0.00 C ATOM 1955 C GLN B 109 8.675 0.248 -9.228 1.00 0.00 C ATOM 1956 O GLN B 109 9.700 0.934 -9.264 1.00 0.00 O ATOM 1957 CB GLN B 109 7.123 1.864 -10.339 1.00 0.00 C ATOM 1958 CG GLN B 109 7.142 1.178 -11.696 1.00 0.00 C ATOM 1959 CD GLN B 109 6.960 2.151 -12.844 1.00 0.00 C ATOM 1960 OE1 GLN B 109 6.299 3.180 -12.703 1.00 0.00 O ATOM 1961 NE2 GLN B 109 7.547 1.829 -13.992 1.00 0.00 N ATOM 0 H GLN B 109 7.935 2.155 -7.608 1.00 0.00 H new ATOM 0 HA GLN B 109 6.533 0.129 -9.233 1.00 0.00 H new ATOM 0 HB2 GLN B 109 6.179 2.396 -10.224 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.916 2.611 -10.308 1.00 0.00 H new ATOM 0 HG2 GLN B 109 8.088 0.650 -11.819 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.351 0.428 -11.731 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.086 0.966 -14.065 1.00 0.00 H new ATOM 0 HE22 GLN B 109 7.459 2.445 -14.800 1.00 0.00 H new ATOM 1970 N VAL B 110 8.695 -1.080 -9.233 1.00 0.00 N ATOM 1971 CA VAL B 110 9.945 -1.827 -9.282 1.00 0.00 C ATOM 1972 C VAL B 110 10.300 -2.215 -10.711 1.00 0.00 C ATOM 1973 O VAL B 110 9.451 -2.190 -11.603 1.00 0.00 O ATOM 1974 CB VAL B 110 9.866 -3.106 -8.428 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.258 -3.652 -8.145 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.122 -2.842 -7.131 1.00 0.00 C ATOM 0 H VAL B 110 7.858 -1.662 -9.204 1.00 0.00 H new ATOM 0 HA VAL B 110 10.718 -1.172 -8.881 1.00 0.00 H new ATOM 0 HB VAL B 110 9.313 -3.857 -8.992 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.178 -4.555 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.755 -3.888 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.839 -2.904 -7.605 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.078 -3.759 -6.544 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.643 -2.072 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.110 -2.505 -7.354 1.00 0.00 H new ATOM 1986 N ARG B 111 11.561 -2.575 -10.919 1.00 0.00 N ATOM 1987 CA ARG B 111 12.037 -2.978 -12.227 1.00 0.00 C ATOM 1988 C ARG B 111 13.217 -3.936 -12.101 1.00 0.00 C ATOM 1989 O ARG B 111 14.351 -3.456 -11.887 1.00 0.00 O ATOM 1990 CB ARG B 111 12.440 -1.754 -13.037 1.00 0.00 C ATOM 1991 CG ARG B 111 13.113 -2.110 -14.333 1.00 0.00 C ATOM 1992 CD ARG B 111 12.122 -2.707 -15.302 1.00 0.00 C ATOM 1993 NE ARG B 111 12.740 -3.081 -16.569 1.00 0.00 N ATOM 1994 CZ ARG B 111 12.059 -3.541 -17.615 1.00 0.00 C ATOM 1995 NH1 ARG B 111 10.743 -3.684 -17.544 1.00 0.00 N ATOM 1996 NH2 ARG B 111 12.698 -3.862 -18.734 1.00 0.00 N ATOM 1997 OXT ARG B 111 13.000 -5.161 -12.218 1.00 0.00 O ATOM 0 H ARG B 111 12.273 -2.594 -10.189 1.00 0.00 H new ATOM 0 HA ARG B 111 11.228 -3.495 -12.743 1.00 0.00 H new ATOM 0 HB2 ARG B 111 11.554 -1.154 -13.246 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.111 -1.135 -12.442 1.00 0.00 H new ATOM 0 HG2 ARG B 111 13.566 -1.220 -14.770 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.920 -2.819 -14.147 1.00 0.00 H new ATOM 0 HD2 ARG B 111 11.662 -3.587 -14.851 1.00 0.00 H new ATOM 0 HD3 ARG B 111 11.323 -1.990 -15.488 1.00 0.00 H new ATOM 0 HE ARG B 111 13.752 -2.984 -16.658 1.00 0.00 H new ATOM 0 HH11 ARG B 111 10.249 -3.441 -16.685 1.00 0.00 H new ATOM 0 HH12 ARG B 111 10.224 -4.037 -18.348 1.00 0.00 H new ATOM 0 HH21 ARG B 111 13.711 -3.756 -18.791 1.00 0.00 H new ATOM 0 HH22 ARG B 111 12.176 -4.215 -19.536 1.00 0.00 H new