USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 627 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 53 THR OG1 : rot 180:sc= 1.02 USER MOD Set 1.2: B 56 THR OG1 : rot -86:sc= 1.33 USER MOD Set 2.1: A 412 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 59 THR OG1 : rot -18:sc= 0.764 USER MOD Single : A 407 MET CE :methyl -170:sc= -0.259 (180deg=-0.443) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 ASN : amide:sc= -0.0616 K(o=-0.062,f=-5.5!) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 1.43 K(o=1.4,f=-3.9!) USER MOD Single : B 28 TYR OH : rot 15:sc= 0.54 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 151:sc= 1.22 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= -0.18 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 TYR OH : rot 130:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.022) USER MOD Single : B 52 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.5) USER MOD Single : B 61 TYR OH : rot -89:sc= 0.176 USER MOD Single : B 64 TYR OH : rot 9:sc= 0.395 USER MOD Single : B 71 LYS NZ :NH3+ 158:sc= 1.09 (180deg=0.253) USER MOD Single : B 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 CYS SG : rot -153:sc= -0.133 USER MOD Single : B 76 HIS : no HE2:sc= -0.0872 X(o=-0.087,f=-0.34) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 81 ASN : amide:sc= -0.0532 K(o=-0.053,f=-1.1) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 111:sc= 0.712 USER MOD Single : B 93 ASN : amide:sc= -0.0285 K(o=-0.029,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 6.312 1.063 -5.268 1.00 1.04 N ATOM 392 CA LEU A 404 5.138 0.910 -4.428 1.00 32.24 C ATOM 393 C LEU A 404 5.359 -0.225 -3.426 1.00 54.32 C ATOM 394 O LEU A 404 4.871 -0.135 -2.300 1.00 63.12 O ATOM 395 CB LEU A 404 3.916 0.640 -5.327 1.00 41.43 C ATOM 396 CG LEU A 404 2.549 0.837 -4.649 1.00 44.13 C ATOM 397 CD1 LEU A 404 2.369 2.257 -4.089 1.00 30.10 C ATOM 398 CD2 LEU A 404 1.429 0.560 -5.671 1.00 2.52 C ATOM 0 HA LEU A 404 4.958 1.822 -3.858 1.00 32.24 H new ATOM 0 HB2 LEU A 404 3.971 1.297 -6.195 1.00 41.43 H new ATOM 0 HB3 LEU A 404 3.976 -0.383 -5.697 1.00 41.43 H new ATOM 0 HG LEU A 404 2.498 0.140 -3.813 1.00 44.13 H new ATOM 0 HD11 LEU A 404 1.388 2.342 -3.621 1.00 30.10 H new ATOM 0 HD12 LEU A 404 3.143 2.457 -3.348 1.00 30.10 H new ATOM 0 HD13 LEU A 404 2.448 2.981 -4.900 1.00 30.10 H new ATOM 0 HD21 LEU A 404 0.459 0.699 -5.194 1.00 2.52 H new ATOM 0 HD22 LEU A 404 1.523 1.250 -6.510 1.00 2.52 H new ATOM 0 HD23 LEU A 404 1.512 -0.465 -6.033 1.00 2.52 H new ATOM 409 N ASP A 405 6.066 -1.290 -3.827 1.00 75.52 N ATOM 410 CA ASP A 405 6.360 -2.434 -2.959 1.00 2.15 C ATOM 411 C ASP A 405 7.392 -2.025 -1.915 1.00 33.33 C ATOM 412 O ASP A 405 7.273 -2.400 -0.753 1.00 5.34 O ATOM 413 CB ASP A 405 6.902 -3.634 -3.747 1.00 15.43 C ATOM 414 CG ASP A 405 6.704 -4.931 -2.958 1.00 22.52 C ATOM 415 OD1 ASP A 405 5.633 -5.554 -3.142 1.00 35.32 O ATOM 416 OD2 ASP A 405 7.594 -5.374 -2.196 1.00 45.10 O ATOM 0 H ASP A 405 6.451 -1.381 -4.767 1.00 75.52 H new ATOM 0 HA ASP A 405 5.425 -2.735 -2.485 1.00 2.15 H new ATOM 0 HB2 ASP A 405 6.392 -3.705 -4.708 1.00 15.43 H new ATOM 0 HB3 ASP A 405 7.961 -3.489 -3.958 1.00 15.43 H new ATOM 420 N ALA A 406 8.363 -1.196 -2.321 1.00 52.25 N ATOM 421 CA ALA A 406 9.423 -0.691 -1.457 1.00 15.12 C ATOM 422 C ALA A 406 8.843 0.140 -0.308 1.00 54.13 C ATOM 423 O ALA A 406 9.435 0.196 0.767 1.00 31.53 O ATOM 424 CB ALA A 406 10.406 0.149 -2.279 1.00 24.52 C ATOM 0 H ALA A 406 8.429 -0.854 -3.280 1.00 52.25 H new ATOM 0 HA ALA A 406 9.952 -1.540 -1.024 1.00 15.12 H new ATOM 0 HB1 ALA A 406 11.196 0.524 -1.629 1.00 24.52 H new ATOM 0 HB2 ALA A 406 10.844 -0.468 -3.064 1.00 24.52 H new ATOM 0 HB3 ALA A 406 9.878 0.989 -2.730 1.00 24.52 H new ATOM 430 N MET A 407 7.694 0.783 -0.527 1.00 51.01 N ATOM 431 CA MET A 407 7.006 1.594 0.470 1.00 44.34 C ATOM 432 C MET A 407 6.036 0.759 1.305 1.00 61.55 C ATOM 433 O MET A 407 5.376 1.306 2.188 1.00 24.00 O ATOM 434 CB MET A 407 6.226 2.707 -0.238 1.00 73.51 C ATOM 435 CG MET A 407 7.149 3.792 -0.773 1.00 10.34 C ATOM 436 SD MET A 407 6.310 5.294 -1.374 1.00 20.31 S ATOM 437 CE MET A 407 4.994 4.550 -2.361 1.00 2.31 C ATOM 0 H MET A 407 7.208 0.751 -1.423 1.00 51.01 H new ATOM 0 HA MET A 407 7.756 2.014 1.140 1.00 44.34 H new ATOM 0 HB2 MET A 407 5.651 2.281 -1.060 1.00 73.51 H new ATOM 0 HB3 MET A 407 5.511 3.148 0.456 1.00 73.51 H new ATOM 0 HG2 MET A 407 7.847 4.075 0.015 1.00 10.34 H new ATOM 0 HG3 MET A 407 7.741 3.375 -1.588 1.00 10.34 H new ATOM 0 HE1 MET A 407 4.494 5.324 -2.943 1.00 2.31 H new ATOM 0 HE2 MET A 407 5.420 3.807 -3.035 1.00 2.31 H new ATOM 0 HE3 MET A 407 4.272 4.069 -1.701 1.00 2.31 H new ATOM 445 N PHE A 408 5.897 -0.540 1.034 1.00 73.31 N ATOM 446 CA PHE A 408 4.981 -1.408 1.765 1.00 64.35 C ATOM 447 C PHE A 408 5.699 -2.393 2.684 1.00 1.50 C ATOM 448 O PHE A 408 6.789 -2.863 2.352 1.00 43.34 O ATOM 449 CB PHE A 408 4.086 -2.177 0.783 1.00 23.34 C ATOM 450 CG PHE A 408 2.850 -1.443 0.309 1.00 31.14 C ATOM 451 CD1 PHE A 408 2.040 -0.771 1.242 1.00 2.23 C ATOM 452 CD2 PHE A 408 2.450 -1.496 -1.037 1.00 61.34 C ATOM 453 CE1 PHE A 408 0.858 -0.141 0.842 1.00 32.15 C ATOM 454 CE2 PHE A 408 1.245 -0.890 -1.437 1.00 3.34 C ATOM 455 CZ PHE A 408 0.452 -0.213 -0.496 1.00 1.35 C ATOM 0 H PHE A 408 6.419 -1.018 0.299 1.00 73.31 H new ATOM 0 HA PHE A 408 4.375 -0.760 2.399 1.00 64.35 H new ATOM 0 HB2 PHE A 408 4.682 -2.447 -0.088 1.00 23.34 H new ATOM 0 HB3 PHE A 408 3.774 -3.108 1.257 1.00 23.34 H new ATOM 0 HD1 PHE A 408 2.335 -0.741 2.281 1.00 2.23 H new ATOM 0 HD2 PHE A 408 3.068 -2.002 -1.764 1.00 61.34 H new ATOM 0 HE1 PHE A 408 0.261 0.399 1.562 1.00 32.15 H new ATOM 0 HE2 PHE A 408 0.930 -0.945 -2.468 1.00 3.34 H new ATOM 0 HZ PHE A 408 -0.472 0.253 -0.805 1.00 1.35 H new ATOM 464 N PRO A 409 5.071 -2.757 3.816 1.00 74.13 N ATOM 465 CA PRO A 409 5.647 -3.689 4.764 1.00 10.12 C ATOM 466 C PRO A 409 5.646 -5.098 4.175 1.00 73.25 C ATOM 467 O PRO A 409 4.781 -5.453 3.360 1.00 50.04 O ATOM 468 CB PRO A 409 4.801 -3.574 6.035 1.00 10.21 C ATOM 469 CG PRO A 409 3.443 -3.082 5.541 1.00 4.12 C ATOM 470 CD PRO A 409 3.785 -2.271 4.293 1.00 23.12 C ATOM 0 HA PRO A 409 6.689 -3.465 4.994 1.00 10.12 H new ATOM 0 HB2 PRO A 409 4.715 -4.534 6.544 1.00 10.21 H new ATOM 0 HB3 PRO A 409 5.243 -2.875 6.745 1.00 10.21 H new ATOM 0 HG2 PRO A 409 2.776 -3.912 5.309 1.00 4.12 H new ATOM 0 HG3 PRO A 409 2.941 -2.471 6.291 1.00 4.12 H new ATOM 0 HD2 PRO A 409 3.017 -2.395 3.529 1.00 23.12 H new ATOM 0 HD3 PRO A 409 3.835 -1.207 4.525 1.00 23.12 H new ATOM 475 N GLU A 410 6.632 -5.891 4.584 1.00 4.20 N ATOM 476 CA GLU A 410 6.812 -7.262 4.142 1.00 60.41 C ATOM 477 C GLU A 410 5.776 -8.201 4.773 1.00 2.13 C ATOM 478 O GLU A 410 5.108 -7.855 5.751 1.00 75.32 O ATOM 479 CB GLU A 410 8.251 -7.713 4.434 1.00 31.34 C ATOM 480 CG GLU A 410 8.582 -7.756 5.935 1.00 55.03 C ATOM 481 CD GLU A 410 9.996 -8.281 6.152 1.00 70.31 C ATOM 482 OE1 GLU A 410 10.967 -7.522 5.940 1.00 73.24 O ATOM 483 OE2 GLU A 410 10.144 -9.467 6.535 1.00 24.32 O ATOM 0 H GLU A 410 7.343 -5.586 5.248 1.00 4.20 H new ATOM 0 HA GLU A 410 6.649 -7.308 3.065 1.00 60.41 H new ATOM 0 HB2 GLU A 410 8.408 -8.703 4.006 1.00 31.34 H new ATOM 0 HB3 GLU A 410 8.945 -7.036 3.935 1.00 31.34 H new ATOM 0 HG2 GLU A 410 8.488 -6.758 6.363 1.00 55.03 H new ATOM 0 HG3 GLU A 410 7.867 -8.394 6.454 1.00 55.03 H new ATOM 488 N GLY A 411 5.669 -9.410 4.227 1.00 72.23 N ATOM 489 CA GLY A 411 4.753 -10.446 4.679 1.00 62.55 C ATOM 490 C GLY A 411 3.380 -10.364 4.010 1.00 12.32 C ATOM 491 O GLY A 411 2.460 -11.077 4.424 1.00 1.41 O ATOM 0 H GLY A 411 6.238 -9.702 3.432 1.00 72.23 H new ATOM 0 HA2 GLY A 411 5.191 -11.424 4.478 1.00 62.55 H new ATOM 0 HA3 GLY A 411 4.630 -10.368 5.759 1.00 62.55 H new ATOM 495 N TYR A 412 3.271 -9.651 2.888 1.00 63.22 N ATOM 496 CA TYR A 412 2.049 -9.436 2.116 1.00 4.51 C ATOM 497 C TYR A 412 2.299 -9.889 0.678 1.00 23.23 C ATOM 498 O TYR A 412 3.449 -10.023 0.250 1.00 22.23 O ATOM 499 CB TYR A 412 1.664 -7.942 2.115 1.00 33.15 C ATOM 500 CG TYR A 412 1.201 -7.348 3.438 1.00 41.12 C ATOM 501 CD1 TYR A 412 2.128 -7.123 4.468 1.00 30.05 C ATOM 502 CD2 TYR A 412 -0.125 -6.900 3.606 1.00 72.44 C ATOM 503 CE1 TYR A 412 1.737 -6.516 5.671 1.00 34.50 C ATOM 504 CE2 TYR A 412 -0.539 -6.326 4.822 1.00 71.22 C ATOM 505 CZ TYR A 412 0.393 -6.136 5.864 1.00 22.55 C ATOM 506 OH TYR A 412 -0.002 -5.561 7.030 1.00 70.32 O ATOM 0 H TYR A 412 4.077 -9.184 2.472 1.00 63.22 H new ATOM 0 HA TYR A 412 1.235 -10.005 2.564 1.00 4.51 H new ATOM 0 HB2 TYR A 412 2.525 -7.370 1.770 1.00 33.15 H new ATOM 0 HB3 TYR A 412 0.870 -7.797 1.382 1.00 33.15 H new ATOM 0 HD1 TYR A 412 3.157 -7.421 4.332 1.00 30.05 H new ATOM 0 HD2 TYR A 412 -0.830 -6.998 2.794 1.00 72.44 H new ATOM 0 HE1 TYR A 412 2.465 -6.340 6.449 1.00 34.50 H new ATOM 0 HE2 TYR A 412 -1.569 -6.031 4.958 1.00 71.22 H new ATOM 0 HH TYR A 412 -0.961 -5.363 6.989 1.00 70.32 H new ATOM 515 N LYS A 413 1.237 -10.198 -0.062 1.00 24.30 N ATOM 516 CA LYS A 413 1.313 -10.652 -1.449 1.00 24.31 C ATOM 517 C LYS A 413 0.389 -9.785 -2.294 1.00 52.24 C ATOM 518 O LYS A 413 -0.607 -9.280 -1.771 1.00 21.50 O ATOM 519 CB LYS A 413 0.921 -12.142 -1.501 1.00 55.05 C ATOM 520 CG LYS A 413 1.712 -12.958 -2.534 1.00 2.10 C ATOM 521 CD LYS A 413 3.157 -13.266 -2.102 1.00 13.25 C ATOM 522 CE LYS A 413 3.197 -14.357 -1.023 1.00 11.12 C ATOM 523 NZ LYS A 413 4.564 -14.631 -0.533 1.00 73.31 N ATOM 0 H LYS A 413 0.282 -10.139 0.292 1.00 24.30 H new ATOM 0 HA LYS A 413 2.323 -10.556 -1.848 1.00 24.31 H new ATOM 0 HB2 LYS A 413 1.070 -12.581 -0.515 1.00 55.05 H new ATOM 0 HB3 LYS A 413 -0.142 -12.220 -1.728 1.00 55.05 H new ATOM 0 HG2 LYS A 413 1.190 -13.896 -2.720 1.00 2.10 H new ATOM 0 HG3 LYS A 413 1.732 -12.412 -3.477 1.00 2.10 H new ATOM 0 HD2 LYS A 413 3.737 -13.586 -2.968 1.00 13.25 H new ATOM 0 HD3 LYS A 413 3.626 -12.359 -1.722 1.00 13.25 H new ATOM 0 HE2 LYS A 413 2.570 -14.055 -0.184 1.00 11.12 H new ATOM 0 HE3 LYS A 413 2.770 -15.275 -1.426 1.00 11.12 H new ATOM 0 HZ1 LYS A 413 4.530 -15.375 0.193 1.00 73.31 H new ATOM 0 HZ2 LYS A 413 5.160 -14.947 -1.325 1.00 73.31 H new ATOM 0 HZ3 LYS A 413 4.966 -13.764 -0.122 1.00 73.31 H new ATOM 533 N VAL A 414 0.693 -9.606 -3.582 1.00 51.54 N ATOM 534 CA VAL A 414 -0.144 -8.792 -4.468 1.00 23.44 C ATOM 535 C VAL A 414 -1.451 -9.561 -4.690 1.00 55.22 C ATOM 536 O VAL A 414 -1.472 -10.793 -4.619 1.00 53.12 O ATOM 537 CB VAL A 414 0.585 -8.495 -5.805 1.00 62.40 C ATOM 538 CG1 VAL A 414 -0.143 -7.430 -6.643 1.00 51.33 C ATOM 539 CG2 VAL A 414 2.013 -7.976 -5.581 1.00 5.20 C ATOM 0 H VAL A 414 1.511 -10.013 -4.034 1.00 51.54 H new ATOM 0 HA VAL A 414 -0.355 -7.822 -4.018 1.00 23.44 H new ATOM 0 HB VAL A 414 0.600 -9.449 -6.332 1.00 62.40 H new ATOM 0 HG11 VAL A 414 0.406 -7.257 -7.569 1.00 51.33 H new ATOM 0 HG12 VAL A 414 -1.149 -7.777 -6.877 1.00 51.33 H new ATOM 0 HG13 VAL A 414 -0.202 -6.500 -6.078 1.00 51.33 H new ATOM 0 HG21 VAL A 414 2.485 -7.782 -6.544 1.00 5.20 H new ATOM 0 HG22 VAL A 414 1.978 -7.054 -5.001 1.00 5.20 H new ATOM 0 HG23 VAL A 414 2.591 -8.724 -5.038 1.00 5.20 H new ATOM 549 N LEU A 415 -2.557 -8.854 -4.931 1.00 14.34 N ATOM 550 CA LEU A 415 -3.858 -9.468 -5.171 1.00 22.30 C ATOM 551 C LEU A 415 -4.446 -8.879 -6.458 1.00 70.00 C ATOM 552 O LEU A 415 -5.331 -8.024 -6.375 1.00 13.33 O ATOM 553 CB LEU A 415 -4.761 -9.323 -3.929 1.00 20.12 C ATOM 554 CG LEU A 415 -6.060 -10.151 -4.023 1.00 34.24 C ATOM 555 CD1 LEU A 415 -5.786 -11.660 -4.033 1.00 30.43 C ATOM 556 CD2 LEU A 415 -6.965 -9.864 -2.819 1.00 73.34 C ATOM 0 H LEU A 415 -2.572 -7.835 -4.965 1.00 14.34 H new ATOM 0 HA LEU A 415 -3.766 -10.543 -5.326 1.00 22.30 H new ATOM 0 HB2 LEU A 415 -4.204 -9.632 -3.044 1.00 20.12 H new ATOM 0 HB3 LEU A 415 -5.016 -8.272 -3.794 1.00 20.12 H new ATOM 0 HG LEU A 415 -6.539 -9.861 -4.958 1.00 34.24 H new ATOM 0 HD11 LEU A 415 -6.730 -12.201 -4.100 1.00 30.43 H new ATOM 0 HD12 LEU A 415 -5.162 -11.911 -4.891 1.00 30.43 H new ATOM 0 HD13 LEU A 415 -5.271 -11.942 -3.115 1.00 30.43 H new ATOM 0 HD21 LEU A 415 -7.877 -10.456 -2.900 1.00 73.34 H new ATOM 0 HD22 LEU A 415 -6.442 -10.128 -1.900 1.00 73.34 H new ATOM 0 HD23 LEU A 415 -7.220 -8.804 -2.800 1.00 73.34 H new ATOM 567 N PRO A 416 -3.950 -9.296 -7.641 1.00 43.14 N ATOM 568 CA PRO A 416 -4.441 -8.805 -8.925 1.00 42.23 C ATOM 569 C PRO A 416 -5.877 -9.290 -9.180 1.00 40.11 C ATOM 570 O PRO A 416 -6.309 -10.274 -8.565 1.00 43.20 O ATOM 571 CB PRO A 416 -3.452 -9.320 -9.973 1.00 1.52 C ATOM 572 CG PRO A 416 -2.924 -10.598 -9.342 1.00 73.44 C ATOM 573 CD PRO A 416 -2.907 -10.292 -7.849 1.00 11.13 C ATOM 0 HA PRO A 416 -4.494 -7.717 -8.957 1.00 42.23 H new ATOM 0 HB2 PRO A 416 -3.940 -9.513 -10.929 1.00 1.52 H new ATOM 0 HB3 PRO A 416 -2.653 -8.603 -10.162 1.00 1.52 H new ATOM 0 HG2 PRO A 416 -3.566 -11.449 -9.568 1.00 73.44 H new ATOM 0 HG3 PRO A 416 -1.928 -10.843 -9.711 1.00 73.44 H new ATOM 0 HD2 PRO A 416 -3.100 -11.190 -7.263 1.00 11.13 H new ATOM 0 HD3 PRO A 416 -1.934 -9.912 -7.538 1.00 11.13 H new ATOM 578 N PRO A 417 -6.613 -8.641 -10.101 1.00 51.43 N ATOM 579 CA PRO A 417 -7.994 -8.990 -10.401 1.00 51.23 C ATOM 580 C PRO A 417 -8.119 -10.349 -11.096 1.00 50.04 C ATOM 581 O PRO A 417 -7.152 -10.822 -11.708 1.00 20.33 O ATOM 582 CB PRO A 417 -8.537 -7.838 -11.259 1.00 0.03 C ATOM 583 CG PRO A 417 -7.290 -7.269 -11.924 1.00 13.10 C ATOM 584 CD PRO A 417 -6.194 -7.493 -10.889 1.00 41.31 C ATOM 0 HA PRO A 417 -8.576 -9.106 -9.487 1.00 51.23 H new ATOM 0 HB2 PRO A 417 -9.258 -8.192 -11.996 1.00 0.03 H new ATOM 0 HB3 PRO A 417 -9.044 -7.089 -10.651 1.00 0.03 H new ATOM 0 HG2 PRO A 417 -7.067 -7.780 -12.860 1.00 13.10 H new ATOM 0 HG3 PRO A 417 -7.409 -6.211 -12.159 1.00 13.10 H new ATOM 0 HD2 PRO A 417 -5.235 -7.680 -11.371 1.00 41.31 H new ATOM 0 HD3 PRO A 417 -6.067 -6.613 -10.259 1.00 41.31 H new ATOM 589 N PRO A 418 -9.304 -10.974 -11.043 1.00 62.21 N ATOM 590 CA PRO A 418 -9.563 -12.267 -11.661 1.00 72.31 C ATOM 591 C PRO A 418 -9.366 -12.208 -13.179 1.00 25.31 C ATOM 592 O PRO A 418 -9.929 -11.350 -13.864 1.00 13.45 O ATOM 593 CB PRO A 418 -11.005 -12.618 -11.287 1.00 54.33 C ATOM 594 CG PRO A 418 -11.644 -11.277 -10.948 1.00 63.01 C ATOM 595 CD PRO A 418 -10.490 -10.491 -10.351 1.00 72.12 C ATOM 0 HA PRO A 418 -8.868 -13.029 -11.309 1.00 72.31 H new ATOM 0 HB2 PRO A 418 -11.522 -13.107 -12.112 1.00 54.33 H new ATOM 0 HB3 PRO A 418 -11.041 -13.301 -10.439 1.00 54.33 H new ATOM 0 HG2 PRO A 418 -12.050 -10.788 -11.833 1.00 63.01 H new ATOM 0 HG3 PRO A 418 -12.465 -11.389 -10.240 1.00 63.01 H new ATOM 0 HD2 PRO A 418 -10.624 -9.420 -10.500 1.00 72.12 H new ATOM 0 HD3 PRO A 418 -10.414 -10.657 -9.276 1.00 72.12 H new ATOM 826 N VAL B 17 -3.895 13.676 3.545 1.00 62.45 N ATOM 827 CA VAL B 17 -4.593 12.590 2.861 1.00 25.50 C ATOM 828 C VAL B 17 -3.569 12.008 1.870 1.00 33.20 C ATOM 829 O VAL B 17 -2.606 12.690 1.494 1.00 54.24 O ATOM 830 CB VAL B 17 -5.925 13.017 2.181 1.00 75.42 C ATOM 831 CG1 VAL B 17 -6.745 11.755 1.857 1.00 51.52 C ATOM 832 CG2 VAL B 17 -6.803 13.932 3.041 1.00 21.31 C ATOM 0 HA VAL B 17 -4.928 11.841 3.578 1.00 25.50 H new ATOM 0 HB VAL B 17 -5.643 13.579 1.290 1.00 75.42 H new ATOM 0 HG11 VAL B 17 -7.682 12.042 1.380 1.00 51.52 H new ATOM 0 HG12 VAL B 17 -6.176 11.114 1.183 1.00 51.52 H new ATOM 0 HG13 VAL B 17 -6.959 11.213 2.778 1.00 51.52 H new ATOM 0 HG21 VAL B 17 -7.712 14.183 2.494 1.00 21.31 H new ATOM 0 HG22 VAL B 17 -7.066 13.419 3.966 1.00 21.31 H new ATOM 0 HG23 VAL B 17 -6.256 14.845 3.275 1.00 21.31 H new ATOM 842 N ASN B 18 -3.749 10.764 1.423 1.00 5.02 N ATOM 843 CA ASN B 18 -2.847 10.094 0.488 1.00 5.41 C ATOM 844 C ASN B 18 -3.650 9.200 -0.467 1.00 43.01 C ATOM 845 O ASN B 18 -4.881 9.195 -0.432 1.00 55.44 O ATOM 846 CB ASN B 18 -1.829 9.280 1.313 1.00 24.22 C ATOM 847 CG ASN B 18 -0.570 8.965 0.529 1.00 14.04 C ATOM 848 OD1 ASN B 18 -0.468 7.923 -0.119 1.00 1.35 O ATOM 849 ND2 ASN B 18 0.381 9.881 0.522 1.00 72.13 N ATOM 0 H ASN B 18 -4.540 10.185 1.706 1.00 5.02 H new ATOM 0 HA ASN B 18 -2.313 10.819 -0.126 1.00 5.41 H new ATOM 0 HB2 ASN B 18 -1.564 9.838 2.211 1.00 24.22 H new ATOM 0 HB3 ASN B 18 -2.292 8.349 1.641 1.00 24.22 H new ATOM 0 HD21 ASN B 18 1.226 9.734 -0.030 1.00 72.13 H new ATOM 0 HD22 ASN B 18 0.270 10.735 1.068 1.00 72.13 H new ATOM 855 N ARG B 19 -2.979 8.493 -1.381 1.00 62.42 N ATOM 856 CA ARG B 19 -3.628 7.572 -2.321 1.00 11.55 C ATOM 857 C ARG B 19 -3.738 6.188 -1.687 1.00 12.14 C ATOM 858 O ARG B 19 -4.630 5.421 -2.042 1.00 74.31 O ATOM 859 CB ARG B 19 -2.797 7.390 -3.595 1.00 43.15 C ATOM 860 CG ARG B 19 -2.520 8.678 -4.375 1.00 71.44 C ATOM 861 CD ARG B 19 -1.926 8.344 -5.746 1.00 63.03 C ATOM 862 NE ARG B 19 -0.662 7.593 -5.638 1.00 14.23 N ATOM 863 CZ ARG B 19 -0.072 6.923 -6.633 1.00 51.00 C ATOM 864 NH1 ARG B 19 -0.580 6.917 -7.863 1.00 15.25 N ATOM 865 NH2 ARG B 19 1.045 6.247 -6.412 1.00 10.13 N ATOM 0 H ARG B 19 -1.966 8.543 -1.491 1.00 62.42 H new ATOM 0 HA ARG B 19 -4.603 7.997 -2.561 1.00 11.55 H new ATOM 0 HB2 ARG B 19 -1.844 6.933 -3.327 1.00 43.15 H new ATOM 0 HB3 ARG B 19 -3.314 6.689 -4.251 1.00 43.15 H new ATOM 0 HG2 ARG B 19 -3.443 9.244 -4.498 1.00 71.44 H new ATOM 0 HG3 ARG B 19 -1.831 9.310 -3.815 1.00 71.44 H new ATOM 0 HD2 ARG B 19 -2.646 7.760 -6.319 1.00 63.03 H new ATOM 0 HD3 ARG B 19 -1.752 9.267 -6.299 1.00 63.03 H new ATOM 0 HE ARG B 19 -0.199 7.584 -4.729 1.00 14.23 H new ATOM 0 HH11 ARG B 19 -1.438 7.431 -8.063 1.00 15.25 H new ATOM 0 HH12 ARG B 19 -0.111 6.398 -8.606 1.00 15.25 H new ATOM 0 HH21 ARG B 19 1.459 6.236 -5.480 1.00 10.13 H new ATOM 0 HH22 ARG B 19 1.492 5.737 -7.174 1.00 10.13 H new ATOM 876 N ILE B 20 -2.778 5.850 -0.823 1.00 25.14 N ATOM 877 CA ILE B 20 -2.697 4.580 -0.127 1.00 44.24 C ATOM 878 C ILE B 20 -3.619 4.667 1.093 1.00 22.11 C ATOM 879 O ILE B 20 -3.581 5.644 1.847 1.00 13.04 O ATOM 880 CB ILE B 20 -1.225 4.290 0.258 1.00 3.02 C ATOM 881 CG1 ILE B 20 -0.264 4.301 -0.960 1.00 30.12 C ATOM 882 CG2 ILE B 20 -1.123 2.926 0.971 1.00 24.54 C ATOM 883 CD1 ILE B 20 1.208 4.488 -0.578 1.00 74.33 C ATOM 0 H ILE B 20 -2.012 6.481 -0.586 1.00 25.14 H new ATOM 0 HA ILE B 20 -3.022 3.751 -0.756 1.00 44.24 H new ATOM 0 HB ILE B 20 -0.916 5.095 0.925 1.00 3.02 H new ATOM 0 HG12 ILE B 20 -0.373 3.364 -1.506 1.00 30.12 H new ATOM 0 HG13 ILE B 20 -0.559 5.102 -1.638 1.00 30.12 H new ATOM 0 HG21 ILE B 20 -0.084 2.732 1.237 1.00 24.54 H new ATOM 0 HG22 ILE B 20 -1.733 2.941 1.874 1.00 24.54 H new ATOM 0 HG23 ILE B 20 -1.480 2.140 0.306 1.00 24.54 H new ATOM 0 HD11 ILE B 20 1.821 4.486 -1.479 1.00 74.33 H new ATOM 0 HD12 ILE B 20 1.331 5.438 -0.058 1.00 74.33 H new ATOM 0 HD13 ILE B 20 1.521 3.674 0.076 1.00 74.33 H new ATOM 894 N LEU B 21 -4.437 3.641 1.294 1.00 15.33 N ATOM 895 CA LEU B 21 -5.392 3.478 2.382 1.00 64.54 C ATOM 896 C LEU B 21 -5.058 2.172 3.088 1.00 15.51 C ATOM 897 O LEU B 21 -4.555 1.237 2.462 1.00 61.14 O ATOM 898 CB LEU B 21 -6.820 3.357 1.822 1.00 44.25 C ATOM 899 CG LEU B 21 -7.442 4.681 1.351 1.00 32.23 C ATOM 900 CD1 LEU B 21 -8.694 4.361 0.530 1.00 4.43 C ATOM 901 CD2 LEU B 21 -7.818 5.558 2.548 1.00 51.52 C ATOM 0 H LEU B 21 -4.451 2.845 0.656 1.00 15.33 H new ATOM 0 HA LEU B 21 -5.337 4.335 3.054 1.00 64.54 H new ATOM 0 HB2 LEU B 21 -6.809 2.659 0.985 1.00 44.25 H new ATOM 0 HB3 LEU B 21 -7.461 2.924 2.590 1.00 44.25 H new ATOM 0 HG LEU B 21 -6.719 5.227 0.745 1.00 32.23 H new ATOM 0 HD11 LEU B 21 -9.151 5.289 0.186 1.00 4.43 H new ATOM 0 HD12 LEU B 21 -8.419 3.751 -0.331 1.00 4.43 H new ATOM 0 HD13 LEU B 21 -9.405 3.814 1.149 1.00 4.43 H new ATOM 0 HD21 LEU B 21 -8.257 6.490 2.192 1.00 51.52 H new ATOM 0 HD22 LEU B 21 -8.541 5.032 3.172 1.00 51.52 H new ATOM 0 HD23 LEU B 21 -6.925 5.777 3.133 1.00 51.52 H new ATOM 912 N TYR B 22 -5.373 2.096 4.376 1.00 12.21 N ATOM 913 CA TYR B 22 -5.162 0.939 5.232 1.00 53.44 C ATOM 914 C TYR B 22 -6.546 0.386 5.549 1.00 11.21 C ATOM 915 O TYR B 22 -7.443 1.164 5.896 1.00 60.13 O ATOM 916 CB TYR B 22 -4.415 1.383 6.494 1.00 24.32 C ATOM 917 CG TYR B 22 -4.017 0.290 7.474 1.00 72.01 C ATOM 918 CD1 TYR B 22 -3.596 -0.978 7.026 1.00 35.33 C ATOM 919 CD2 TYR B 22 -3.964 0.588 8.848 1.00 73.31 C ATOM 920 CE1 TYR B 22 -3.088 -1.923 7.931 1.00 52.34 C ATOM 921 CE2 TYR B 22 -3.465 -0.353 9.763 1.00 74.55 C ATOM 922 CZ TYR B 22 -3.007 -1.603 9.301 1.00 62.42 C ATOM 923 OH TYR B 22 -2.435 -2.478 10.166 1.00 55.12 O ATOM 0 H TYR B 22 -5.802 2.877 4.873 1.00 12.21 H new ATOM 0 HA TYR B 22 -4.557 0.166 4.758 1.00 53.44 H new ATOM 0 HB2 TYR B 22 -3.511 1.910 6.187 1.00 24.32 H new ATOM 0 HB3 TYR B 22 -5.039 2.103 7.023 1.00 24.32 H new ATOM 0 HD1 TYR B 22 -3.665 -1.225 5.977 1.00 35.33 H new ATOM 0 HD2 TYR B 22 -4.310 1.548 9.202 1.00 73.31 H new ATOM 0 HE1 TYR B 22 -2.761 -2.890 7.579 1.00 52.34 H new ATOM 0 HE2 TYR B 22 -3.432 -0.120 10.817 1.00 74.55 H new ATOM 0 HH TYR B 22 -2.458 -2.105 11.072 1.00 55.12 H new ATOM 932 N ILE B 23 -6.727 -0.928 5.399 1.00 2.20 N ATOM 933 CA ILE B 23 -7.984 -1.627 5.640 1.00 11.52 C ATOM 934 C ILE B 23 -7.742 -2.617 6.778 1.00 74.23 C ATOM 935 O ILE B 23 -6.695 -3.277 6.832 1.00 14.01 O ATOM 936 CB ILE B 23 -8.511 -2.306 4.350 1.00 11.32 C ATOM 937 CG1 ILE B 23 -8.395 -1.428 3.078 1.00 34.54 C ATOM 938 CG2 ILE B 23 -9.965 -2.795 4.513 1.00 31.01 C ATOM 939 CD1 ILE B 23 -9.192 -0.117 3.099 1.00 43.44 C ATOM 0 H ILE B 23 -5.978 -1.551 5.097 1.00 2.20 H new ATOM 0 HA ILE B 23 -8.768 -0.928 5.931 1.00 11.52 H new ATOM 0 HB ILE B 23 -7.853 -3.163 4.204 1.00 11.32 H new ATOM 0 HG12 ILE B 23 -7.343 -1.190 2.918 1.00 34.54 H new ATOM 0 HG13 ILE B 23 -8.722 -2.017 2.221 1.00 34.54 H new ATOM 0 HG21 ILE B 23 -10.297 -3.265 3.587 1.00 31.01 H new ATOM 0 HG22 ILE B 23 -10.016 -3.519 5.326 1.00 31.01 H new ATOM 0 HG23 ILE B 23 -10.611 -1.947 4.741 1.00 31.01 H new ATOM 0 HD11 ILE B 23 -9.039 0.417 2.161 1.00 43.44 H new ATOM 0 HD12 ILE B 23 -10.252 -0.338 3.222 1.00 43.44 H new ATOM 0 HD13 ILE B 23 -8.852 0.502 3.929 1.00 43.44 H new ATOM 950 N ARG B 24 -8.701 -2.720 7.700 1.00 3.23 N ATOM 951 CA ARG B 24 -8.652 -3.588 8.877 1.00 23.22 C ATOM 952 C ARG B 24 -10.012 -4.245 9.084 1.00 1.45 C ATOM 953 O ARG B 24 -11.006 -3.782 8.529 1.00 13.43 O ATOM 954 CB ARG B 24 -8.203 -2.807 10.129 1.00 63.35 C ATOM 955 CG ARG B 24 -6.914 -1.987 9.931 1.00 22.35 C ATOM 956 CD ARG B 24 -6.549 -1.139 11.155 1.00 60.55 C ATOM 957 NE ARG B 24 -5.954 -1.955 12.227 1.00 73.11 N ATOM 958 CZ ARG B 24 -6.393 -2.119 13.476 1.00 54.01 C ATOM 959 NH1 ARG B 24 -7.453 -1.449 13.903 1.00 14.33 N ATOM 960 NH2 ARG B 24 -5.770 -2.973 14.279 1.00 32.13 N ATOM 0 H ARG B 24 -9.565 -2.181 7.645 1.00 3.23 H new ATOM 0 HA ARG B 24 -7.911 -4.369 8.710 1.00 23.22 H new ATOM 0 HB2 ARG B 24 -9.006 -2.134 10.432 1.00 63.35 H new ATOM 0 HB3 ARG B 24 -8.051 -3.510 10.948 1.00 63.35 H new ATOM 0 HG2 ARG B 24 -6.090 -2.664 9.706 1.00 22.35 H new ATOM 0 HG3 ARG B 24 -7.035 -1.334 9.067 1.00 22.35 H new ATOM 0 HD2 ARG B 24 -5.848 -0.358 10.860 1.00 60.55 H new ATOM 0 HD3 ARG B 24 -7.442 -0.640 11.531 1.00 60.55 H new ATOM 0 HE ARG B 24 -5.100 -2.457 11.984 1.00 73.11 H new ATOM 0 HH11 ARG B 24 -7.936 -0.805 13.276 1.00 14.33 H new ATOM 0 HH12 ARG B 24 -7.786 -1.577 14.859 1.00 14.33 H new ATOM 0 HH21 ARG B 24 -4.963 -3.497 13.939 1.00 32.13 H new ATOM 0 HH22 ARG B 24 -6.098 -3.105 15.236 1.00 32.13 H new ATOM 971 N ASN B 25 -10.039 -5.306 9.894 1.00 14.04 N ATOM 972 CA ASN B 25 -11.222 -6.122 10.226 1.00 43.34 C ATOM 973 C ASN B 25 -11.700 -6.889 8.978 1.00 32.43 C ATOM 974 O ASN B 25 -12.897 -7.113 8.767 1.00 23.34 O ATOM 975 CB ASN B 25 -12.330 -5.292 10.910 1.00 21.45 C ATOM 976 CG ASN B 25 -13.305 -6.121 11.750 1.00 24.41 C ATOM 977 OD1 ASN B 25 -13.292 -7.350 11.767 1.00 14.45 O ATOM 978 ND2 ASN B 25 -14.148 -5.454 12.522 1.00 22.35 N ATOM 0 H ASN B 25 -9.197 -5.641 10.362 1.00 14.04 H new ATOM 0 HA ASN B 25 -10.938 -6.867 10.970 1.00 43.34 H new ATOM 0 HB2 ASN B 25 -11.865 -4.541 11.549 1.00 21.45 H new ATOM 0 HB3 ASN B 25 -12.892 -4.756 10.145 1.00 21.45 H new ATOM 0 HD21 ASN B 25 -14.789 -5.960 13.133 1.00 22.35 H new ATOM 0 HD22 ASN B 25 -14.157 -4.434 12.506 1.00 22.35 H new ATOM 984 N LEU B 26 -10.751 -7.241 8.101 1.00 63.12 N ATOM 985 CA LEU B 26 -11.002 -7.965 6.858 1.00 62.52 C ATOM 986 C LEU B 26 -11.404 -9.422 7.121 1.00 2.41 C ATOM 987 O LEU B 26 -11.018 -9.982 8.153 1.00 4.12 O ATOM 988 CB LEU B 26 -9.730 -7.963 5.987 1.00 14.52 C ATOM 989 CG LEU B 26 -9.461 -6.630 5.276 1.00 43.43 C ATOM 990 CD1 LEU B 26 -8.104 -6.694 4.579 1.00 44.14 C ATOM 991 CD2 LEU B 26 -10.520 -6.322 4.215 1.00 54.05 C ATOM 0 H LEU B 26 -9.765 -7.023 8.244 1.00 63.12 H new ATOM 0 HA LEU B 26 -11.822 -7.460 6.347 1.00 62.52 H new ATOM 0 HB2 LEU B 26 -8.873 -8.208 6.614 1.00 14.52 H new ATOM 0 HB3 LEU B 26 -9.813 -8.751 5.239 1.00 14.52 H new ATOM 0 HG LEU B 26 -9.485 -5.847 6.034 1.00 43.43 H new ATOM 0 HD11 LEU B 26 -7.910 -5.748 4.073 1.00 44.14 H new ATOM 0 HD12 LEU B 26 -7.324 -6.877 5.318 1.00 44.14 H new ATOM 0 HD13 LEU B 26 -8.108 -7.503 3.848 1.00 44.14 H new ATOM 0 HD21 LEU B 26 -10.290 -5.370 3.737 1.00 54.05 H new ATOM 0 HD22 LEU B 26 -10.524 -7.113 3.465 1.00 54.05 H new ATOM 0 HD23 LEU B 26 -11.501 -6.264 4.686 1.00 54.05 H new ATOM 1002 N PRO B 27 -12.115 -10.057 6.170 1.00 44.33 N ATOM 1003 CA PRO B 27 -12.549 -11.439 6.273 1.00 54.31 C ATOM 1004 C PRO B 27 -11.355 -12.376 6.090 1.00 12.40 C ATOM 1005 O PRO B 27 -10.398 -12.065 5.375 1.00 70.20 O ATOM 1006 CB PRO B 27 -13.598 -11.628 5.172 1.00 35.33 C ATOM 1007 CG PRO B 27 -13.181 -10.621 4.113 1.00 61.20 C ATOM 1008 CD PRO B 27 -12.611 -9.474 4.933 1.00 65.13 C ATOM 0 HA PRO B 27 -12.974 -11.670 7.250 1.00 54.31 H new ATOM 0 HB2 PRO B 27 -13.593 -12.646 4.783 1.00 35.33 H new ATOM 0 HB3 PRO B 27 -14.606 -11.432 5.539 1.00 35.33 H new ATOM 0 HG2 PRO B 27 -12.439 -11.037 3.431 1.00 61.20 H new ATOM 0 HG3 PRO B 27 -14.028 -10.301 3.506 1.00 61.20 H new ATOM 0 HD2 PRO B 27 -11.809 -8.972 4.392 1.00 65.13 H new ATOM 0 HD3 PRO B 27 -13.376 -8.725 5.137 1.00 65.13 H new ATOM 1013 N TYR B 28 -11.425 -13.568 6.681 1.00 23.14 N ATOM 1014 CA TYR B 28 -10.342 -14.548 6.596 1.00 64.34 C ATOM 1015 C TYR B 28 -10.359 -15.326 5.274 1.00 63.45 C ATOM 1016 O TYR B 28 -9.306 -15.789 4.826 1.00 41.14 O ATOM 1017 CB TYR B 28 -10.383 -15.470 7.819 1.00 21.41 C ATOM 1018 CG TYR B 28 -10.614 -14.750 9.140 1.00 53.21 C ATOM 1019 CD1 TYR B 28 -9.797 -13.663 9.517 1.00 43.14 C ATOM 1020 CD2 TYR B 28 -11.688 -15.134 9.964 1.00 22.33 C ATOM 1021 CE1 TYR B 28 -10.051 -12.961 10.708 1.00 54.32 C ATOM 1022 CE2 TYR B 28 -11.935 -14.447 11.167 1.00 74.54 C ATOM 1023 CZ TYR B 28 -11.116 -13.360 11.541 1.00 30.24 C ATOM 1024 OH TYR B 28 -11.389 -12.678 12.685 1.00 23.22 O ATOM 0 H TYR B 28 -12.227 -13.880 7.228 1.00 23.14 H new ATOM 0 HA TYR B 28 -9.393 -14.012 6.603 1.00 64.34 H new ATOM 0 HB2 TYR B 28 -11.174 -16.207 7.677 1.00 21.41 H new ATOM 0 HB3 TYR B 28 -9.443 -16.019 7.877 1.00 21.41 H new ATOM 0 HD1 TYR B 28 -8.971 -13.369 8.886 1.00 43.14 H new ATOM 0 HD2 TYR B 28 -12.324 -15.957 9.673 1.00 22.33 H new ATOM 0 HE1 TYR B 28 -9.433 -12.119 10.984 1.00 54.32 H new ATOM 0 HE2 TYR B 28 -12.752 -14.752 11.805 1.00 74.54 H new ATOM 0 HH TYR B 28 -10.925 -11.815 12.670 1.00 23.22 H new ATOM 1033 N LYS B 29 -11.517 -15.449 4.614 1.00 14.51 N ATOM 1034 CA LYS B 29 -11.696 -16.137 3.334 1.00 15.54 C ATOM 1035 C LYS B 29 -12.434 -15.175 2.412 1.00 13.24 C ATOM 1036 O LYS B 29 -13.560 -14.772 2.716 1.00 4.34 O ATOM 1037 CB LYS B 29 -12.449 -17.473 3.468 1.00 31.12 C ATOM 1038 CG LYS B 29 -11.583 -18.613 4.045 1.00 54.13 C ATOM 1039 CD LYS B 29 -11.669 -18.744 5.567 1.00 54.42 C ATOM 1040 CE LYS B 29 -13.030 -19.303 5.982 1.00 61.03 C ATOM 1041 NZ LYS B 29 -13.352 -18.995 7.388 1.00 62.03 N ATOM 0 H LYS B 29 -12.387 -15.056 4.973 1.00 14.51 H new ATOM 0 HA LYS B 29 -10.721 -16.404 2.926 1.00 15.54 H new ATOM 0 HB2 LYS B 29 -13.319 -17.328 4.109 1.00 31.12 H new ATOM 0 HB3 LYS B 29 -12.822 -17.771 2.488 1.00 31.12 H new ATOM 0 HG2 LYS B 29 -11.890 -19.555 3.591 1.00 54.13 H new ATOM 0 HG3 LYS B 29 -10.544 -18.446 3.762 1.00 54.13 H new ATOM 0 HD2 LYS B 29 -10.876 -19.399 5.927 1.00 54.42 H new ATOM 0 HD3 LYS B 29 -11.513 -17.770 6.031 1.00 54.42 H new ATOM 0 HE2 LYS B 29 -13.804 -18.890 5.335 1.00 61.03 H new ATOM 0 HE3 LYS B 29 -13.037 -20.383 5.837 1.00 61.03 H new ATOM 0 HZ1 LYS B 29 -14.283 -19.393 7.626 1.00 62.03 H new ATOM 0 HZ2 LYS B 29 -12.629 -19.411 8.009 1.00 62.03 H new ATOM 0 HZ3 LYS B 29 -13.372 -17.964 7.522 1.00 62.03 H new ATOM 1051 N ILE B 30 -11.761 -14.752 1.349 1.00 23.13 N ATOM 1052 CA ILE B 30 -12.233 -13.842 0.318 1.00 41.54 C ATOM 1053 C ILE B 30 -11.291 -14.022 -0.885 1.00 50.23 C ATOM 1054 O ILE B 30 -10.233 -14.658 -0.755 1.00 1.11 O ATOM 1055 CB ILE B 30 -12.238 -12.396 0.891 1.00 61.44 C ATOM 1056 CG1 ILE B 30 -12.850 -11.394 -0.096 1.00 53.50 C ATOM 1057 CG2 ILE B 30 -10.843 -11.917 1.345 1.00 54.22 C ATOM 1058 CD1 ILE B 30 -13.422 -10.131 0.552 1.00 52.33 C ATOM 0 H ILE B 30 -10.804 -15.059 1.174 1.00 23.13 H new ATOM 0 HA ILE B 30 -13.254 -14.046 -0.005 1.00 41.54 H new ATOM 0 HB ILE B 30 -12.867 -12.438 1.780 1.00 61.44 H new ATOM 0 HG12 ILE B 30 -12.087 -11.103 -0.818 1.00 53.50 H new ATOM 0 HG13 ILE B 30 -13.643 -11.892 -0.654 1.00 53.50 H new ATOM 0 HG21 ILE B 30 -10.916 -10.901 1.734 1.00 54.22 H new ATOM 0 HG22 ILE B 30 -10.467 -12.579 2.125 1.00 54.22 H new ATOM 0 HG23 ILE B 30 -10.159 -11.932 0.496 1.00 54.22 H new ATOM 0 HD11 ILE B 30 -13.833 -9.480 -0.220 1.00 52.33 H new ATOM 0 HD12 ILE B 30 -14.211 -10.407 1.252 1.00 52.33 H new ATOM 0 HD13 ILE B 30 -12.630 -9.605 1.086 1.00 52.33 H new ATOM 1069 N THR B 31 -11.632 -13.472 -2.048 1.00 1.35 N ATOM 1070 CA THR B 31 -10.820 -13.531 -3.259 1.00 33.41 C ATOM 1071 C THR B 31 -10.827 -12.151 -3.919 1.00 12.02 C ATOM 1072 O THR B 31 -11.607 -11.272 -3.533 1.00 32.34 O ATOM 1073 CB THR B 31 -11.302 -14.646 -4.207 1.00 43.01 C ATOM 1074 OG1 THR B 31 -12.679 -14.557 -4.511 1.00 52.13 O ATOM 1075 CG2 THR B 31 -11.010 -16.031 -3.632 1.00 11.54 C ATOM 0 H THR B 31 -12.504 -12.959 -2.177 1.00 1.35 H new ATOM 0 HA THR B 31 -9.792 -13.789 -3.004 1.00 33.41 H new ATOM 0 HB THR B 31 -10.742 -14.503 -5.131 1.00 43.01 H new ATOM 0 HG1 THR B 31 -12.842 -14.932 -5.402 1.00 52.13 H new ATOM 0 HG21 THR B 31 -11.363 -16.795 -4.325 1.00 11.54 H new ATOM 0 HG22 THR B 31 -9.936 -16.144 -3.483 1.00 11.54 H new ATOM 0 HG23 THR B 31 -11.523 -16.144 -2.677 1.00 11.54 H new ATOM 1083 N ALA B 32 -9.968 -11.950 -4.921 1.00 72.23 N ATOM 1084 CA ALA B 32 -9.872 -10.689 -5.644 1.00 42.51 C ATOM 1085 C ALA B 32 -11.231 -10.276 -6.217 1.00 23.42 C ATOM 1086 O ALA B 32 -11.567 -9.098 -6.219 1.00 33.24 O ATOM 1087 CB ALA B 32 -8.845 -10.838 -6.767 1.00 11.12 C ATOM 0 H ALA B 32 -9.318 -12.663 -5.252 1.00 72.23 H new ATOM 0 HA ALA B 32 -9.555 -9.907 -4.954 1.00 42.51 H new ATOM 0 HB1 ALA B 32 -8.766 -9.899 -7.315 1.00 11.12 H new ATOM 0 HB2 ALA B 32 -7.875 -11.093 -6.341 1.00 11.12 H new ATOM 0 HB3 ALA B 32 -9.162 -11.629 -7.447 1.00 11.12 H new ATOM 1093 N GLU B 33 -12.033 -11.254 -6.636 1.00 0.24 N ATOM 1094 CA GLU B 33 -13.357 -11.075 -7.220 1.00 1.44 C ATOM 1095 C GLU B 33 -14.333 -10.354 -6.284 1.00 23.03 C ATOM 1096 O GLU B 33 -15.349 -9.833 -6.742 1.00 42.23 O ATOM 1097 CB GLU B 33 -13.955 -12.454 -7.507 1.00 53.45 C ATOM 1098 CG GLU B 33 -13.093 -13.413 -8.333 1.00 12.22 C ATOM 1099 CD GLU B 33 -13.392 -14.830 -7.866 1.00 1.32 C ATOM 1100 OE1 GLU B 33 -14.485 -15.332 -8.220 1.00 22.34 O ATOM 1101 OE2 GLU B 33 -12.576 -15.379 -7.088 1.00 62.12 O ATOM 0 H GLU B 33 -11.763 -12.236 -6.574 1.00 0.24 H new ATOM 0 HA GLU B 33 -13.227 -10.471 -8.118 1.00 1.44 H new ATOM 0 HB2 GLU B 33 -14.181 -12.933 -6.554 1.00 53.45 H new ATOM 0 HB3 GLU B 33 -14.903 -12.314 -8.026 1.00 53.45 H new ATOM 0 HG2 GLU B 33 -13.314 -13.307 -9.395 1.00 12.22 H new ATOM 0 HG3 GLU B 33 -12.035 -13.184 -8.203 1.00 12.22 H new ATOM 1106 N GLU B 34 -14.121 -10.429 -4.972 1.00 12.31 N ATOM 1107 CA GLU B 34 -14.960 -9.784 -3.967 1.00 44.32 C ATOM 1108 C GLU B 34 -14.361 -8.422 -3.601 1.00 63.13 C ATOM 1109 O GLU B 34 -15.094 -7.465 -3.347 1.00 22.45 O ATOM 1110 CB GLU B 34 -15.047 -10.690 -2.741 1.00 31.30 C ATOM 1111 CG GLU B 34 -15.962 -11.902 -2.956 1.00 21.22 C ATOM 1112 CD GLU B 34 -16.089 -12.732 -1.681 1.00 61.20 C ATOM 1113 OE1 GLU B 34 -16.961 -12.409 -0.838 1.00 42.20 O ATOM 1114 OE2 GLU B 34 -15.312 -13.701 -1.527 1.00 3.03 O ATOM 0 H GLU B 34 -13.343 -10.952 -4.570 1.00 12.31 H new ATOM 0 HA GLU B 34 -15.965 -9.622 -4.357 1.00 44.32 H new ATOM 0 HB2 GLU B 34 -14.047 -11.038 -2.481 1.00 31.30 H new ATOM 0 HB3 GLU B 34 -15.413 -10.111 -1.893 1.00 31.30 H new ATOM 0 HG2 GLU B 34 -16.949 -11.564 -3.273 1.00 21.22 H new ATOM 0 HG3 GLU B 34 -15.565 -12.523 -3.759 1.00 21.22 H new ATOM 1119 N MET B 35 -13.026 -8.336 -3.574 1.00 54.12 N ATOM 1120 CA MET B 35 -12.284 -7.123 -3.262 1.00 13.43 C ATOM 1121 C MET B 35 -12.540 -6.066 -4.340 1.00 10.12 C ATOM 1122 O MET B 35 -12.929 -4.946 -4.015 1.00 34.53 O ATOM 1123 CB MET B 35 -10.781 -7.429 -3.142 1.00 53.31 C ATOM 1124 CG MET B 35 -10.447 -8.366 -1.972 1.00 43.21 C ATOM 1125 SD MET B 35 -10.802 -7.707 -0.321 1.00 41.33 S ATOM 1126 CE MET B 35 -9.416 -6.562 -0.104 1.00 4.44 C ATOM 0 H MET B 35 -12.422 -9.133 -3.775 1.00 54.12 H new ATOM 0 HA MET B 35 -12.626 -6.733 -2.303 1.00 13.43 H new ATOM 0 HB2 MET B 35 -10.433 -7.880 -4.071 1.00 53.31 H new ATOM 0 HB3 MET B 35 -10.235 -6.494 -3.018 1.00 53.31 H new ATOM 0 HG2 MET B 35 -11.004 -9.294 -2.102 1.00 43.21 H new ATOM 0 HG3 MET B 35 -9.388 -8.620 -2.023 1.00 43.21 H new ATOM 0 HE1 MET B 35 -9.494 -6.077 0.869 1.00 4.44 H new ATOM 0 HE2 MET B 35 -8.477 -7.113 -0.161 1.00 4.44 H new ATOM 0 HE3 MET B 35 -9.442 -5.807 -0.889 1.00 4.44 H new ATOM 1134 N TYR B 36 -12.332 -6.410 -5.613 1.00 11.13 N ATOM 1135 CA TYR B 36 -12.537 -5.488 -6.723 1.00 12.44 C ATOM 1136 C TYR B 36 -14.020 -5.132 -6.907 1.00 41.32 C ATOM 1137 O TYR B 36 -14.310 -4.133 -7.572 1.00 65.41 O ATOM 1138 CB TYR B 36 -11.896 -6.041 -8.007 1.00 62.10 C ATOM 1139 CG TYR B 36 -10.381 -5.881 -8.043 1.00 12.40 C ATOM 1140 CD1 TYR B 36 -9.818 -4.640 -8.393 1.00 44.32 C ATOM 1141 CD2 TYR B 36 -9.525 -6.954 -7.735 1.00 43.24 C ATOM 1142 CE1 TYR B 36 -8.427 -4.456 -8.417 1.00 34.23 C ATOM 1143 CE2 TYR B 36 -8.129 -6.785 -7.768 1.00 20.54 C ATOM 1144 CZ TYR B 36 -7.572 -5.531 -8.107 1.00 24.32 C ATOM 1145 OH TYR B 36 -6.225 -5.360 -8.182 1.00 43.42 O ATOM 0 H TYR B 36 -12.017 -7.337 -5.899 1.00 11.13 H new ATOM 0 HA TYR B 36 -12.034 -4.551 -6.485 1.00 12.44 H new ATOM 0 HB2 TYR B 36 -12.145 -7.098 -8.103 1.00 62.10 H new ATOM 0 HB3 TYR B 36 -12.328 -5.532 -8.869 1.00 62.10 H new ATOM 0 HD1 TYR B 36 -10.467 -3.815 -8.647 1.00 44.32 H new ATOM 0 HD2 TYR B 36 -9.943 -7.914 -7.471 1.00 43.24 H new ATOM 0 HE1 TYR B 36 -8.013 -3.492 -8.673 1.00 34.23 H new ATOM 0 HE2 TYR B 36 -7.481 -7.616 -7.534 1.00 20.54 H new ATOM 0 HH TYR B 36 -5.775 -6.195 -7.936 1.00 43.42 H new ATOM 1154 N ASP B 37 -14.962 -5.895 -6.337 1.00 40.14 N ATOM 1155 CA ASP B 37 -16.387 -5.590 -6.458 1.00 0.34 C ATOM 1156 C ASP B 37 -16.674 -4.347 -5.614 1.00 62.15 C ATOM 1157 O ASP B 37 -16.932 -3.272 -6.158 1.00 20.21 O ATOM 1158 CB ASP B 37 -17.292 -6.758 -6.034 1.00 64.04 C ATOM 1159 CG ASP B 37 -18.728 -6.268 -5.805 1.00 54.14 C ATOM 1160 OD1 ASP B 37 -19.385 -5.837 -6.785 1.00 24.41 O ATOM 1161 OD2 ASP B 37 -19.164 -6.266 -4.633 1.00 3.03 O ATOM 0 H ASP B 37 -14.758 -6.729 -5.787 1.00 40.14 H new ATOM 0 HA ASP B 37 -16.616 -5.410 -7.508 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -17.283 -7.531 -6.803 1.00 64.04 H new ATOM 0 HB3 ASP B 37 -16.906 -7.212 -5.121 1.00 64.04 H new ATOM 1165 N ILE B 38 -16.546 -4.487 -4.293 1.00 42.32 N ATOM 1166 CA ILE B 38 -16.792 -3.462 -3.284 1.00 34.12 C ATOM 1167 C ILE B 38 -15.992 -2.196 -3.572 1.00 64.43 C ATOM 1168 O ILE B 38 -16.569 -1.134 -3.797 1.00 44.14 O ATOM 1169 CB ILE B 38 -16.497 -4.041 -1.873 1.00 53.03 C ATOM 1170 CG1 ILE B 38 -17.463 -5.203 -1.555 1.00 21.40 C ATOM 1171 CG2 ILE B 38 -16.599 -2.967 -0.767 1.00 72.32 C ATOM 1172 CD1 ILE B 38 -17.012 -6.081 -0.385 1.00 71.33 C ATOM 0 H ILE B 38 -16.251 -5.371 -3.878 1.00 42.32 H new ATOM 0 HA ILE B 38 -17.842 -3.171 -3.317 1.00 34.12 H new ATOM 0 HB ILE B 38 -15.471 -4.408 -1.889 1.00 53.03 H new ATOM 0 HG12 ILE B 38 -18.448 -4.793 -1.331 1.00 21.40 H new ATOM 0 HG13 ILE B 38 -17.572 -5.826 -2.443 1.00 21.40 H new ATOM 0 HG21 ILE B 38 -16.384 -3.420 0.201 1.00 72.32 H new ATOM 0 HG22 ILE B 38 -15.879 -2.173 -0.964 1.00 72.32 H new ATOM 0 HG23 ILE B 38 -17.606 -2.549 -0.757 1.00 72.32 H new ATOM 0 HD11 ILE B 38 -17.742 -6.874 -0.223 1.00 71.33 H new ATOM 0 HD12 ILE B 38 -16.042 -6.522 -0.614 1.00 71.33 H new ATOM 0 HD13 ILE B 38 -16.931 -5.473 0.516 1.00 71.33 H new ATOM 1183 N PHE B 39 -14.662 -2.298 -3.570 1.00 34.24 N ATOM 1184 CA PHE B 39 -13.795 -1.152 -3.793 1.00 53.22 C ATOM 1185 C PHE B 39 -13.971 -0.512 -5.179 1.00 63.43 C ATOM 1186 O PHE B 39 -13.644 0.671 -5.336 1.00 22.44 O ATOM 1187 CB PHE B 39 -12.346 -1.552 -3.505 1.00 4.31 C ATOM 1188 CG PHE B 39 -12.020 -1.820 -2.046 1.00 4.33 C ATOM 1189 CD1 PHE B 39 -12.356 -3.041 -1.426 1.00 23.42 C ATOM 1190 CD2 PHE B 39 -11.333 -0.841 -1.305 1.00 31.31 C ATOM 1191 CE1 PHE B 39 -11.988 -3.294 -0.094 1.00 54.34 C ATOM 1192 CE2 PHE B 39 -10.965 -1.094 0.025 1.00 33.51 C ATOM 1193 CZ PHE B 39 -11.285 -2.322 0.630 1.00 73.12 C ATOM 0 H PHE B 39 -14.163 -3.174 -3.414 1.00 34.24 H new ATOM 0 HA PHE B 39 -14.088 -0.366 -3.097 1.00 53.22 H new ATOM 0 HB2 PHE B 39 -12.113 -2.447 -4.082 1.00 4.31 H new ATOM 0 HB3 PHE B 39 -11.690 -0.760 -3.866 1.00 4.31 H new ATOM 0 HD1 PHE B 39 -12.902 -3.790 -1.981 1.00 23.42 H new ATOM 0 HD2 PHE B 39 -11.088 0.107 -1.761 1.00 31.31 H new ATOM 0 HE1 PHE B 39 -12.246 -4.234 0.370 1.00 54.34 H new ATOM 0 HE2 PHE B 39 -10.433 -0.341 0.587 1.00 33.51 H new ATOM 0 HZ PHE B 39 -10.990 -2.516 1.651 1.00 73.12 H new ATOM 1202 N GLY B 40 -14.507 -1.256 -6.156 1.00 2.44 N ATOM 1203 CA GLY B 40 -14.738 -0.779 -7.514 1.00 51.41 C ATOM 1204 C GLY B 40 -15.998 0.064 -7.625 1.00 33.24 C ATOM 1205 O GLY B 40 -16.129 0.835 -8.577 1.00 33.12 O ATOM 0 H GLY B 40 -14.796 -2.224 -6.015 1.00 2.44 H new ATOM 0 HA2 GLY B 40 -13.880 -0.191 -7.840 1.00 51.41 H new ATOM 0 HA3 GLY B 40 -14.814 -1.632 -8.188 1.00 51.41 H new ATOM 1209 N LYS B 41 -16.952 -0.067 -6.688 1.00 31.23 N ATOM 1210 CA LYS B 41 -18.156 0.768 -6.734 1.00 63.02 C ATOM 1211 C LYS B 41 -17.707 2.222 -6.551 1.00 12.31 C ATOM 1212 O LYS B 41 -18.319 3.135 -7.103 1.00 64.45 O ATOM 1213 CB LYS B 41 -19.161 0.393 -5.628 1.00 43.23 C ATOM 1214 CG LYS B 41 -20.258 -0.587 -6.065 1.00 40.01 C ATOM 1215 CD LYS B 41 -19.800 -2.044 -6.167 1.00 32.24 C ATOM 1216 CE LYS B 41 -20.995 -2.982 -6.392 1.00 62.25 C ATOM 1217 NZ LYS B 41 -21.516 -2.904 -7.774 1.00 60.52 N ATOM 0 H LYS B 41 -16.913 -0.726 -5.910 1.00 31.23 H new ATOM 0 HA LYS B 41 -18.663 0.619 -7.687 1.00 63.02 H new ATOM 0 HB2 LYS B 41 -18.615 -0.044 -4.792 1.00 43.23 H new ATOM 0 HB3 LYS B 41 -19.632 1.304 -5.260 1.00 43.23 H new ATOM 0 HG2 LYS B 41 -21.085 -0.527 -5.357 1.00 40.01 H new ATOM 0 HG3 LYS B 41 -20.645 -0.272 -7.034 1.00 40.01 H new ATOM 0 HD2 LYS B 41 -19.091 -2.149 -6.988 1.00 32.24 H new ATOM 0 HD3 LYS B 41 -19.276 -2.329 -5.255 1.00 32.24 H new ATOM 0 HE2 LYS B 41 -20.695 -4.007 -6.176 1.00 62.25 H new ATOM 0 HE3 LYS B 41 -21.790 -2.728 -5.691 1.00 62.25 H new ATOM 0 HZ1 LYS B 41 -22.321 -3.554 -7.879 1.00 60.52 H new ATOM 0 HZ2 LYS B 41 -21.827 -1.932 -7.973 1.00 60.52 H new ATOM 0 HZ3 LYS B 41 -20.766 -3.171 -8.443 1.00 60.52 H new ATOM 1227 N TYR B 42 -16.630 2.432 -5.794 1.00 43.33 N ATOM 1228 CA TYR B 42 -16.072 3.735 -5.515 1.00 41.31 C ATOM 1229 C TYR B 42 -15.263 4.222 -6.726 1.00 3.54 C ATOM 1230 O TYR B 42 -15.638 5.227 -7.334 1.00 52.44 O ATOM 1231 CB TYR B 42 -15.270 3.668 -4.205 1.00 14.10 C ATOM 1232 CG TYR B 42 -15.901 2.864 -3.076 1.00 33.02 C ATOM 1233 CD1 TYR B 42 -17.281 2.960 -2.800 1.00 62.35 C ATOM 1234 CD2 TYR B 42 -15.100 2.007 -2.299 1.00 63.12 C ATOM 1235 CE1 TYR B 42 -17.858 2.187 -1.777 1.00 51.11 C ATOM 1236 CE2 TYR B 42 -15.668 1.240 -1.268 1.00 21.35 C ATOM 1237 CZ TYR B 42 -17.051 1.328 -0.999 1.00 75.15 C ATOM 1238 OH TYR B 42 -17.592 0.599 0.016 1.00 53.21 O ATOM 0 H TYR B 42 -16.114 1.672 -5.350 1.00 43.33 H new ATOM 0 HA TYR B 42 -16.855 4.478 -5.362 1.00 41.31 H new ATOM 0 HB2 TYR B 42 -14.290 3.243 -4.423 1.00 14.10 H new ATOM 0 HB3 TYR B 42 -15.104 4.686 -3.851 1.00 14.10 H new ATOM 0 HD1 TYR B 42 -17.898 3.632 -3.378 1.00 62.35 H new ATOM 0 HD2 TYR B 42 -14.040 1.938 -2.497 1.00 63.12 H new ATOM 0 HE1 TYR B 42 -18.919 2.250 -1.586 1.00 51.11 H new ATOM 0 HE2 TYR B 42 -15.045 0.582 -0.680 1.00 21.35 H new ATOM 0 HH TYR B 42 -17.319 -0.338 -0.073 1.00 53.21 H new ATOM 1247 N GLY B 43 -14.192 3.524 -7.135 1.00 44.44 N ATOM 1248 CA GLY B 43 -13.400 3.978 -8.279 1.00 63.05 C ATOM 1249 C GLY B 43 -12.301 3.017 -8.728 1.00 52.42 C ATOM 1250 O GLY B 43 -12.113 1.976 -8.099 1.00 63.42 O ATOM 0 H GLY B 43 -13.863 2.662 -6.699 1.00 44.44 H new ATOM 0 HA2 GLY B 43 -14.072 4.155 -9.119 1.00 63.05 H new ATOM 0 HA3 GLY B 43 -12.944 4.936 -8.028 1.00 63.05 H new ATOM 1254 N PRO B 44 -11.568 3.370 -9.802 1.00 13.33 N ATOM 1255 CA PRO B 44 -10.489 2.568 -10.360 1.00 44.22 C ATOM 1256 C PRO B 44 -9.325 2.499 -9.370 1.00 10.24 C ATOM 1257 O PRO B 44 -8.750 3.514 -8.959 1.00 23.35 O ATOM 1258 CB PRO B 44 -10.103 3.243 -11.683 1.00 75.34 C ATOM 1259 CG PRO B 44 -10.502 4.703 -11.465 1.00 62.44 C ATOM 1260 CD PRO B 44 -11.743 4.585 -10.585 1.00 54.11 C ATOM 0 HA PRO B 44 -10.785 1.535 -10.544 1.00 44.22 H new ATOM 0 HB2 PRO B 44 -9.037 3.144 -11.889 1.00 75.34 H new ATOM 0 HB3 PRO B 44 -10.633 2.803 -12.528 1.00 75.34 H new ATOM 0 HG2 PRO B 44 -9.711 5.270 -10.975 1.00 62.44 H new ATOM 0 HG3 PRO B 44 -10.720 5.208 -12.406 1.00 62.44 H new ATOM 0 HD2 PRO B 44 -11.845 5.455 -9.937 1.00 54.11 H new ATOM 0 HD3 PRO B 44 -12.647 4.531 -11.191 1.00 54.11 H new ATOM 1265 N ILE B 45 -8.966 1.279 -8.985 1.00 20.03 N ATOM 1266 CA ILE B 45 -7.897 1.015 -8.041 1.00 61.23 C ATOM 1267 C ILE B 45 -6.572 0.951 -8.812 1.00 70.41 C ATOM 1268 O ILE B 45 -6.528 0.619 -10.002 1.00 1.05 O ATOM 1269 CB ILE B 45 -8.214 -0.294 -7.273 1.00 62.14 C ATOM 1270 CG1 ILE B 45 -9.682 -0.322 -6.777 1.00 52.44 C ATOM 1271 CG2 ILE B 45 -7.258 -0.459 -6.078 1.00 74.12 C ATOM 1272 CD1 ILE B 45 -10.057 -1.579 -5.996 1.00 41.11 C ATOM 0 H ILE B 45 -9.421 0.433 -9.329 1.00 20.03 H new ATOM 0 HA ILE B 45 -7.809 1.809 -7.299 1.00 61.23 H new ATOM 0 HB ILE B 45 -8.074 -1.123 -7.966 1.00 62.14 H new ATOM 0 HG12 ILE B 45 -9.857 0.549 -6.146 1.00 52.44 H new ATOM 0 HG13 ILE B 45 -10.346 -0.231 -7.637 1.00 52.44 H new ATOM 0 HG21 ILE B 45 -7.493 -1.382 -5.549 1.00 74.12 H new ATOM 0 HG22 ILE B 45 -6.230 -0.498 -6.437 1.00 74.12 H new ATOM 0 HG23 ILE B 45 -7.373 0.387 -5.400 1.00 74.12 H new ATOM 0 HD11 ILE B 45 -11.100 -1.517 -5.686 1.00 41.11 H new ATOM 0 HD12 ILE B 45 -9.918 -2.456 -6.629 1.00 41.11 H new ATOM 0 HD13 ILE B 45 -9.421 -1.663 -5.115 1.00 41.11 H new ATOM 1283 N ARG B 46 -5.471 1.306 -8.150 1.00 45.14 N ATOM 1284 CA ARG B 46 -4.122 1.275 -8.705 1.00 51.13 C ATOM 1285 C ARG B 46 -3.570 -0.121 -8.465 1.00 23.52 C ATOM 1286 O ARG B 46 -3.277 -0.814 -9.433 1.00 2.32 O ATOM 1287 CB ARG B 46 -3.222 2.341 -8.050 1.00 72.03 C ATOM 1288 CG ARG B 46 -1.765 2.347 -8.544 1.00 70.23 C ATOM 1289 CD ARG B 46 -1.595 2.917 -9.956 1.00 1.35 C ATOM 1290 NE ARG B 46 -1.691 4.389 -9.965 1.00 52.22 N ATOM 1291 CZ ARG B 46 -1.385 5.180 -11.005 1.00 24.15 C ATOM 1292 NH1 ARG B 46 -0.688 4.718 -12.035 1.00 14.14 N ATOM 1293 NH2 ARG B 46 -1.771 6.448 -11.010 1.00 3.44 N ATOM 0 H ARG B 46 -5.496 1.633 -7.184 1.00 45.14 H new ATOM 0 HA ARG B 46 -4.147 1.502 -9.771 1.00 51.13 H new ATOM 0 HB2 ARG B 46 -3.656 3.324 -8.231 1.00 72.03 H new ATOM 0 HB3 ARG B 46 -3.224 2.185 -6.971 1.00 72.03 H new ATOM 0 HG2 ARG B 46 -1.158 2.930 -7.851 1.00 70.23 H new ATOM 0 HG3 ARG B 46 -1.380 1.327 -8.525 1.00 70.23 H new ATOM 0 HD2 ARG B 46 -0.628 2.613 -10.357 1.00 1.35 H new ATOM 0 HD3 ARG B 46 -2.358 2.498 -10.612 1.00 1.35 H new ATOM 0 HE ARG B 46 -2.016 4.843 -9.111 1.00 52.22 H new ATOM 0 HH11 ARG B 46 -0.376 3.747 -12.045 1.00 14.14 H new ATOM 0 HH12 ARG B 46 -0.465 5.334 -12.817 1.00 14.14 H new ATOM 0 HH21 ARG B 46 -2.301 6.823 -10.223 1.00 3.44 H new ATOM 0 HH22 ARG B 46 -1.538 7.049 -11.801 1.00 3.44 H new ATOM 1304 N GLN B 47 -3.413 -0.531 -7.202 1.00 61.34 N ATOM 1305 CA GLN B 47 -2.877 -1.832 -6.826 1.00 41.40 C ATOM 1306 C GLN B 47 -3.397 -2.228 -5.443 1.00 20.13 C ATOM 1307 O GLN B 47 -3.804 -1.360 -4.662 1.00 32.24 O ATOM 1308 CB GLN B 47 -1.334 -1.729 -6.784 1.00 10.33 C ATOM 1309 CG GLN B 47 -0.618 -2.834 -7.573 1.00 10.13 C ATOM 1310 CD GLN B 47 -0.867 -2.731 -9.075 1.00 61.42 C ATOM 1311 OE1 GLN B 47 -1.620 -3.520 -9.643 1.00 64.44 O ATOM 1312 NE2 GLN B 47 -0.261 -1.765 -9.748 1.00 73.21 N ATOM 0 H GLN B 47 -3.662 0.048 -6.400 1.00 61.34 H new ATOM 0 HA GLN B 47 -3.188 -2.585 -7.550 1.00 41.40 H new ATOM 0 HB2 GLN B 47 -1.033 -0.759 -7.180 1.00 10.33 H new ATOM 0 HB3 GLN B 47 -1.005 -1.765 -5.746 1.00 10.33 H new ATOM 0 HG2 GLN B 47 0.453 -2.778 -7.380 1.00 10.13 H new ATOM 0 HG3 GLN B 47 -0.955 -3.808 -7.217 1.00 10.13 H new ATOM 0 HE21 GLN B 47 0.361 -1.118 -9.263 1.00 73.21 H new ATOM 0 HE22 GLN B 47 -0.416 -1.668 -10.751 1.00 73.21 H new ATOM 1319 N ILE B 48 -3.321 -3.522 -5.124 1.00 45.30 N ATOM 1320 CA ILE B 48 -3.738 -4.113 -3.858 1.00 52.32 C ATOM 1321 C ILE B 48 -2.699 -5.174 -3.481 1.00 33.33 C ATOM 1322 O ILE B 48 -2.165 -5.894 -4.326 1.00 62.31 O ATOM 1323 CB ILE B 48 -5.164 -4.727 -3.961 1.00 74.43 C ATOM 1324 CG1 ILE B 48 -6.221 -3.629 -4.223 1.00 61.10 C ATOM 1325 CG2 ILE B 48 -5.520 -5.480 -2.661 1.00 54.23 C ATOM 1326 CD1 ILE B 48 -7.634 -4.146 -4.520 1.00 3.03 C ATOM 0 H ILE B 48 -2.949 -4.215 -5.774 1.00 45.30 H new ATOM 0 HA ILE B 48 -3.792 -3.347 -3.084 1.00 52.32 H new ATOM 0 HB ILE B 48 -5.167 -5.426 -4.798 1.00 74.43 H new ATOM 0 HG12 ILE B 48 -6.266 -2.974 -3.353 1.00 61.10 H new ATOM 0 HG13 ILE B 48 -5.889 -3.020 -5.064 1.00 61.10 H new ATOM 0 HG21 ILE B 48 -6.520 -5.904 -2.748 1.00 54.23 H new ATOM 0 HG22 ILE B 48 -4.800 -6.281 -2.496 1.00 54.23 H new ATOM 0 HG23 ILE B 48 -5.492 -4.787 -1.820 1.00 54.23 H new ATOM 0 HD11 ILE B 48 -8.302 -3.302 -4.690 1.00 3.03 H new ATOM 0 HD12 ILE B 48 -7.612 -4.775 -5.410 1.00 3.03 H new ATOM 0 HD13 ILE B 48 -7.994 -4.729 -3.672 1.00 3.03 H new ATOM 1337 N ARG B 49 -2.406 -5.269 -2.186 1.00 51.24 N ATOM 1338 CA ARG B 49 -1.488 -6.205 -1.557 1.00 24.15 C ATOM 1339 C ARG B 49 -2.192 -6.562 -0.259 1.00 52.54 C ATOM 1340 O ARG B 49 -2.671 -5.665 0.444 1.00 60.31 O ATOM 1341 CB ARG B 49 -0.100 -5.585 -1.332 1.00 51.53 C ATOM 1342 CG ARG B 49 0.824 -5.664 -2.557 1.00 10.44 C ATOM 1343 CD ARG B 49 1.958 -4.637 -2.438 1.00 33.42 C ATOM 1344 NE ARG B 49 3.008 -4.830 -3.450 1.00 25.10 N ATOM 1345 CZ ARG B 49 2.996 -4.525 -4.752 1.00 33.11 C ATOM 1346 NH1 ARG B 49 1.939 -3.944 -5.312 1.00 34.13 N ATOM 1347 NH2 ARG B 49 4.046 -4.817 -5.501 1.00 4.42 N ATOM 0 H ARG B 49 -2.837 -4.647 -1.503 1.00 51.24 H new ATOM 0 HA ARG B 49 -1.281 -7.082 -2.171 1.00 24.15 H new ATOM 0 HB2 ARG B 49 -0.222 -4.540 -1.048 1.00 51.53 H new ATOM 0 HB3 ARG B 49 0.381 -6.089 -0.494 1.00 51.53 H new ATOM 0 HG2 ARG B 49 1.241 -6.668 -2.642 1.00 10.44 H new ATOM 0 HG3 ARG B 49 0.251 -5.479 -3.465 1.00 10.44 H new ATOM 0 HD2 ARG B 49 1.545 -3.633 -2.536 1.00 33.42 H new ATOM 0 HD3 ARG B 49 2.400 -4.704 -1.444 1.00 33.42 H new ATOM 0 HE ARG B 49 3.869 -5.258 -3.110 1.00 25.10 H new ATOM 0 HH11 ARG B 49 1.119 -3.724 -4.747 1.00 34.13 H new ATOM 0 HH12 ARG B 49 1.948 -3.719 -6.307 1.00 34.13 H new ATOM 0 HH21 ARG B 49 4.858 -5.272 -5.085 1.00 4.42 H new ATOM 0 HH22 ARG B 49 4.043 -4.587 -6.495 1.00 4.42 H new ATOM 1358 N VAL B 50 -2.296 -7.847 0.054 1.00 62.43 N ATOM 1359 CA VAL B 50 -2.982 -8.331 1.244 1.00 45.02 C ATOM 1360 C VAL B 50 -2.062 -9.196 2.101 1.00 31.32 C ATOM 1361 O VAL B 50 -1.077 -9.749 1.607 1.00 44.41 O ATOM 1362 CB VAL B 50 -4.265 -9.080 0.821 1.00 52.12 C ATOM 1363 CG1 VAL B 50 -5.215 -8.213 -0.020 1.00 51.40 C ATOM 1364 CG2 VAL B 50 -3.968 -10.363 0.026 1.00 30.14 C ATOM 0 H VAL B 50 -1.901 -8.592 -0.520 1.00 62.43 H new ATOM 0 HA VAL B 50 -3.268 -7.484 1.867 1.00 45.02 H new ATOM 0 HB VAL B 50 -4.749 -9.336 1.764 1.00 52.12 H new ATOM 0 HG11 VAL B 50 -6.098 -8.794 -0.287 1.00 51.40 H new ATOM 0 HG12 VAL B 50 -5.517 -7.339 0.557 1.00 51.40 H new ATOM 0 HG13 VAL B 50 -4.705 -7.890 -0.928 1.00 51.40 H new ATOM 0 HG21 VAL B 50 -4.906 -10.848 -0.245 1.00 30.14 H new ATOM 0 HG22 VAL B 50 -3.415 -10.111 -0.879 1.00 30.14 H new ATOM 0 HG23 VAL B 50 -3.372 -11.041 0.638 1.00 30.14 H new ATOM 1374 N GLY B 51 -2.393 -9.303 3.389 1.00 41.03 N ATOM 1375 CA GLY B 51 -1.659 -10.080 4.372 1.00 65.24 C ATOM 1376 C GLY B 51 -1.612 -11.555 3.981 1.00 55.11 C ATOM 1377 O GLY B 51 -2.518 -12.055 3.306 1.00 51.44 O ATOM 0 H GLY B 51 -3.208 -8.833 3.783 1.00 41.03 H new ATOM 0 HA2 GLY B 51 -0.644 -9.692 4.463 1.00 65.24 H new ATOM 0 HA3 GLY B 51 -2.130 -9.974 5.349 1.00 65.24 H new ATOM 1381 N ASN B 52 -0.522 -12.240 4.316 1.00 32.35 N ATOM 1382 CA ASN B 52 -0.321 -13.661 4.040 1.00 70.52 C ATOM 1383 C ASN B 52 -0.022 -14.380 5.349 1.00 63.21 C ATOM 1384 O ASN B 52 -0.651 -15.403 5.626 1.00 3.23 O ATOM 1385 CB ASN B 52 0.744 -13.891 2.949 1.00 52.05 C ATOM 1386 CG ASN B 52 0.161 -14.237 1.581 1.00 5.23 C ATOM 1387 OD1 ASN B 52 0.735 -15.025 0.835 1.00 52.44 O ATOM 1388 ND2 ASN B 52 -0.933 -13.612 1.178 1.00 20.54 N ATOM 0 H ASN B 52 0.267 -11.811 4.800 1.00 32.35 H new ATOM 0 HA ASN B 52 -1.234 -14.089 3.625 1.00 70.52 H new ATOM 0 HB2 ASN B 52 1.355 -12.993 2.856 1.00 52.05 H new ATOM 0 HB3 ASN B 52 1.407 -14.697 3.265 1.00 52.05 H new ATOM 0 HD21 ASN B 52 -1.304 -13.784 0.243 1.00 20.54 H new ATOM 0 HD22 ASN B 52 -1.406 -12.958 1.802 1.00 20.54 H new ATOM 1394 N THR B 53 0.918 -13.870 6.151 1.00 43.41 N ATOM 1395 CA THR B 53 1.257 -14.472 7.440 1.00 72.52 C ATOM 1396 C THR B 53 0.052 -14.331 8.381 1.00 2.13 C ATOM 1397 O THR B 53 -0.792 -13.450 8.181 1.00 64.44 O ATOM 1398 CB THR B 53 2.508 -13.788 8.039 1.00 63.54 C ATOM 1399 OG1 THR B 53 2.325 -12.399 8.218 1.00 32.53 O ATOM 1400 CG2 THR B 53 3.721 -13.962 7.130 1.00 51.14 C ATOM 0 H THR B 53 1.460 -13.036 5.926 1.00 43.41 H new ATOM 0 HA THR B 53 1.489 -15.529 7.307 1.00 72.52 H new ATOM 0 HB THR B 53 2.670 -14.269 9.004 1.00 63.54 H new ATOM 0 HG1 THR B 53 3.139 -12.008 8.600 1.00 32.53 H new ATOM 0 HG21 THR B 53 4.585 -13.470 7.578 1.00 51.14 H new ATOM 0 HG22 THR B 53 3.932 -15.024 7.005 1.00 51.14 H new ATOM 0 HG23 THR B 53 3.514 -13.516 6.157 1.00 51.14 H new ATOM 1408 N PRO B 54 -0.054 -15.133 9.450 1.00 54.02 N ATOM 1409 CA PRO B 54 -1.165 -15.017 10.389 1.00 30.31 C ATOM 1410 C PRO B 54 -1.089 -13.686 11.155 1.00 15.35 C ATOM 1411 O PRO B 54 -2.045 -13.290 11.816 1.00 30.04 O ATOM 1412 CB PRO B 54 -1.053 -16.242 11.300 1.00 1.13 C ATOM 1413 CG PRO B 54 0.418 -16.637 11.220 1.00 62.42 C ATOM 1414 CD PRO B 54 0.840 -16.210 9.825 1.00 44.44 C ATOM 0 HA PRO B 54 -2.136 -15.001 9.895 1.00 30.31 H new ATOM 0 HB2 PRO B 54 -1.346 -16.005 12.323 1.00 1.13 H new ATOM 0 HB3 PRO B 54 -1.701 -17.050 10.961 1.00 1.13 H new ATOM 0 HG2 PRO B 54 1.008 -16.134 11.986 1.00 62.42 H new ATOM 0 HG3 PRO B 54 0.552 -17.709 11.366 1.00 62.42 H new ATOM 0 HD2 PRO B 54 1.878 -15.877 9.816 1.00 44.44 H new ATOM 0 HD3 PRO B 54 0.766 -17.041 9.123 1.00 44.44 H new ATOM 1419 N GLU B 55 0.035 -12.981 11.066 1.00 55.34 N ATOM 1420 CA GLU B 55 0.339 -11.700 11.681 1.00 63.42 C ATOM 1421 C GLU B 55 -0.038 -10.522 10.767 1.00 65.14 C ATOM 1422 O GLU B 55 -0.011 -9.373 11.202 1.00 22.43 O ATOM 1423 CB GLU B 55 1.826 -11.793 11.989 1.00 2.15 C ATOM 1424 CG GLU B 55 2.455 -10.659 12.789 1.00 41.15 C ATOM 1425 CD GLU B 55 3.840 -11.086 13.283 1.00 21.13 C ATOM 1426 OE1 GLU B 55 4.550 -11.846 12.574 1.00 2.22 O ATOM 1427 OE2 GLU B 55 4.204 -10.685 14.410 1.00 4.02 O ATOM 0 H GLU B 55 0.821 -13.324 10.514 1.00 55.34 H new ATOM 0 HA GLU B 55 -0.240 -11.504 12.583 1.00 63.42 H new ATOM 0 HB2 GLU B 55 1.999 -12.722 12.532 1.00 2.15 H new ATOM 0 HB3 GLU B 55 2.360 -11.872 11.042 1.00 2.15 H new ATOM 0 HG2 GLU B 55 2.538 -9.766 12.170 1.00 41.15 H new ATOM 0 HG3 GLU B 55 1.819 -10.402 13.636 1.00 41.15 H new ATOM 1432 N THR B 56 -0.385 -10.782 9.502 1.00 3.33 N ATOM 1433 CA THR B 56 -0.797 -9.759 8.538 1.00 31.35 C ATOM 1434 C THR B 56 -2.256 -10.018 8.119 1.00 62.15 C ATOM 1435 O THR B 56 -3.014 -9.071 7.884 1.00 61.20 O ATOM 1436 CB THR B 56 0.204 -9.676 7.374 1.00 25.42 C ATOM 1437 OG1 THR B 56 0.434 -10.950 6.805 1.00 33.24 O ATOM 1438 CG2 THR B 56 1.555 -9.112 7.826 1.00 42.20 C ATOM 0 H THR B 56 -0.387 -11.725 9.114 1.00 3.33 H new ATOM 0 HA THR B 56 -0.779 -8.768 8.991 1.00 31.35 H new ATOM 0 HB THR B 56 -0.243 -9.010 6.636 1.00 25.42 H new ATOM 0 HG1 THR B 56 1.142 -11.408 7.304 1.00 33.24 H new ATOM 0 HG21 THR B 56 2.235 -9.069 6.975 1.00 42.20 H new ATOM 0 HG22 THR B 56 1.414 -8.109 8.229 1.00 42.20 H new ATOM 0 HG23 THR B 56 1.979 -9.756 8.597 1.00 42.20 H new ATOM 1446 N ARG B 57 -2.668 -11.298 8.056 1.00 65.42 N ATOM 1447 CA ARG B 57 -4.016 -11.751 7.704 1.00 65.40 C ATOM 1448 C ARG B 57 -5.004 -11.051 8.625 1.00 74.01 C ATOM 1449 O ARG B 57 -4.980 -11.272 9.837 1.00 14.15 O ATOM 1450 CB ARG B 57 -4.135 -13.277 7.859 1.00 42.41 C ATOM 1451 CG ARG B 57 -3.769 -14.032 6.578 1.00 70.31 C ATOM 1452 CD ARG B 57 -3.809 -15.546 6.825 1.00 71.43 C ATOM 1453 NE ARG B 57 -4.124 -16.297 5.599 1.00 23.33 N ATOM 1454 CZ ARG B 57 -5.314 -16.799 5.239 1.00 24.52 C ATOM 1455 NH1 ARG B 57 -6.418 -16.612 5.963 1.00 34.54 N ATOM 1456 NH2 ARG B 57 -5.377 -17.498 4.116 1.00 25.12 N ATOM 0 H ARG B 57 -2.039 -12.075 8.259 1.00 65.42 H new ATOM 0 HA ARG B 57 -4.229 -11.506 6.663 1.00 65.40 H new ATOM 0 HB2 ARG B 57 -3.485 -13.608 8.669 1.00 42.41 H new ATOM 0 HB3 ARG B 57 -5.156 -13.530 8.146 1.00 42.41 H new ATOM 0 HG2 ARG B 57 -4.464 -13.768 5.781 1.00 70.31 H new ATOM 0 HG3 ARG B 57 -2.774 -13.737 6.245 1.00 70.31 H new ATOM 0 HD2 ARG B 57 -2.846 -15.875 7.214 1.00 71.43 H new ATOM 0 HD3 ARG B 57 -4.554 -15.769 7.588 1.00 71.43 H new ATOM 0 HE ARG B 57 -3.351 -16.453 4.952 1.00 23.33 H new ATOM 0 HH11 ARG B 57 -6.376 -16.070 6.826 1.00 34.54 H new ATOM 0 HH12 ARG B 57 -7.304 -17.011 5.654 1.00 34.54 H new ATOM 0 HH21 ARG B 57 -4.537 -17.640 3.556 1.00 25.12 H new ATOM 0 HH22 ARG B 57 -6.266 -17.895 3.811 1.00 25.12 H new ATOM 1467 N GLY B 58 -5.884 -10.245 8.051 1.00 13.55 N ATOM 1468 CA GLY B 58 -6.899 -9.449 8.724 1.00 71.25 C ATOM 1469 C GLY B 58 -6.727 -7.973 8.356 1.00 23.31 C ATOM 1470 O GLY B 58 -7.586 -7.153 8.693 1.00 73.41 O ATOM 0 H GLY B 58 -5.910 -10.122 7.039 1.00 13.55 H new ATOM 0 HA2 GLY B 58 -7.893 -9.792 8.437 1.00 71.25 H new ATOM 0 HA3 GLY B 58 -6.818 -9.576 9.803 1.00 71.25 H new ATOM 1474 N THR B 59 -5.639 -7.616 7.664 1.00 3.31 N ATOM 1475 CA THR B 59 -5.344 -6.258 7.232 1.00 31.42 C ATOM 1476 C THR B 59 -4.762 -6.275 5.816 1.00 61.10 C ATOM 1477 O THR B 59 -4.284 -7.309 5.330 1.00 34.23 O ATOM 1478 CB THR B 59 -4.399 -5.578 8.235 1.00 54.54 C ATOM 1479 OG1 THR B 59 -3.182 -6.295 8.365 1.00 33.22 O ATOM 1480 CG2 THR B 59 -5.008 -5.431 9.632 1.00 1.51 C ATOM 0 H THR B 59 -4.924 -8.287 7.385 1.00 3.31 H new ATOM 0 HA THR B 59 -6.265 -5.675 7.203 1.00 31.42 H new ATOM 0 HB THR B 59 -4.218 -4.584 7.825 1.00 54.54 H new ATOM 0 HG1 THR B 59 -3.300 -7.205 8.021 1.00 33.22 H new ATOM 0 HG21 THR B 59 -4.291 -4.944 10.292 1.00 1.51 H new ATOM 0 HG22 THR B 59 -5.914 -4.828 9.572 1.00 1.51 H new ATOM 0 HG23 THR B 59 -5.254 -6.417 10.027 1.00 1.51 H new ATOM 1488 N ALA B 60 -4.841 -5.147 5.121 1.00 54.32 N ATOM 1489 CA ALA B 60 -4.334 -4.967 3.771 1.00 13.44 C ATOM 1490 C ALA B 60 -4.263 -3.471 3.492 1.00 70.03 C ATOM 1491 O ALA B 60 -4.744 -2.660 4.287 1.00 75.23 O ATOM 1492 CB ALA B 60 -5.287 -5.614 2.760 1.00 12.42 C ATOM 0 H ALA B 60 -5.275 -4.304 5.497 1.00 54.32 H new ATOM 0 HA ALA B 60 -3.352 -5.430 3.679 1.00 13.44 H new ATOM 0 HB1 ALA B 60 -4.898 -5.473 1.752 1.00 12.42 H new ATOM 0 HB2 ALA B 60 -5.372 -6.680 2.971 1.00 12.42 H new ATOM 0 HB3 ALA B 60 -6.270 -5.149 2.838 1.00 12.42 H new ATOM 1498 N TYR B 61 -3.675 -3.109 2.358 1.00 65.32 N ATOM 1499 CA TYR B 61 -3.563 -1.728 1.933 1.00 45.40 C ATOM 1500 C TYR B 61 -4.100 -1.682 0.511 1.00 5.22 C ATOM 1501 O TYR B 61 -3.917 -2.628 -0.268 1.00 14.33 O ATOM 1502 CB TYR B 61 -2.128 -1.196 2.035 1.00 21.14 C ATOM 1503 CG TYR B 61 -1.565 -1.082 3.445 1.00 20.21 C ATOM 1504 CD1 TYR B 61 -0.911 -2.181 4.039 1.00 51.43 C ATOM 1505 CD2 TYR B 61 -1.666 0.133 4.154 1.00 14.04 C ATOM 1506 CE1 TYR B 61 -0.390 -2.079 5.341 1.00 22.33 C ATOM 1507 CE2 TYR B 61 -1.133 0.250 5.453 1.00 34.54 C ATOM 1508 CZ TYR B 61 -0.506 -0.866 6.059 1.00 75.02 C ATOM 1509 OH TYR B 61 -0.016 -0.782 7.326 1.00 73.14 O ATOM 0 H TYR B 61 -3.261 -3.775 1.706 1.00 65.32 H new ATOM 0 HA TYR B 61 -4.138 -1.073 2.588 1.00 45.40 H new ATOM 0 HB2 TYR B 61 -1.476 -1.849 1.455 1.00 21.14 H new ATOM 0 HB3 TYR B 61 -2.091 -0.212 1.568 1.00 21.14 H new ATOM 0 HD1 TYR B 61 -0.810 -3.106 3.491 1.00 51.43 H new ATOM 0 HD2 TYR B 61 -2.156 0.980 3.698 1.00 14.04 H new ATOM 0 HE1 TYR B 61 0.100 -2.929 5.794 1.00 22.33 H new ATOM 0 HE2 TYR B 61 -1.202 1.187 5.985 1.00 34.54 H new ATOM 0 HH TYR B 61 -0.708 -1.057 7.963 1.00 73.14 H new ATOM 1518 N VAL B 62 -4.766 -0.592 0.157 1.00 24.23 N ATOM 1519 CA VAL B 62 -5.356 -0.377 -1.156 1.00 10.25 C ATOM 1520 C VAL B 62 -4.785 0.939 -1.643 1.00 44.01 C ATOM 1521 O VAL B 62 -4.613 1.862 -0.848 1.00 14.31 O ATOM 1522 CB VAL B 62 -6.896 -0.362 -1.033 1.00 32.15 C ATOM 1523 CG1 VAL B 62 -7.599 -0.100 -2.372 1.00 40.45 C ATOM 1524 CG2 VAL B 62 -7.382 -1.711 -0.490 1.00 11.41 C ATOM 0 H VAL B 62 -4.915 0.190 0.795 1.00 24.23 H new ATOM 0 HA VAL B 62 -5.124 -1.167 -1.870 1.00 10.25 H new ATOM 0 HB VAL B 62 -7.148 0.453 -0.355 1.00 32.15 H new ATOM 0 HG11 VAL B 62 -8.679 -0.101 -2.222 1.00 40.45 H new ATOM 0 HG12 VAL B 62 -7.288 0.869 -2.763 1.00 40.45 H new ATOM 0 HG13 VAL B 62 -7.330 -0.881 -3.083 1.00 40.45 H new ATOM 0 HG21 VAL B 62 -8.469 -1.698 -0.404 1.00 11.41 H new ATOM 0 HG22 VAL B 62 -7.081 -2.507 -1.171 1.00 11.41 H new ATOM 0 HG23 VAL B 62 -6.942 -1.888 0.492 1.00 11.41 H new ATOM 1534 N VAL B 63 -4.470 1.037 -2.927 1.00 44.11 N ATOM 1535 CA VAL B 63 -3.919 2.250 -3.498 1.00 50.53 C ATOM 1536 C VAL B 63 -4.848 2.635 -4.628 1.00 50.44 C ATOM 1537 O VAL B 63 -5.172 1.776 -5.445 1.00 54.22 O ATOM 1538 CB VAL B 63 -2.475 2.003 -3.989 1.00 23.21 C ATOM 1539 CG1 VAL B 63 -1.784 3.329 -4.343 1.00 2.01 C ATOM 1540 CG2 VAL B 63 -1.647 1.257 -2.935 1.00 51.31 C ATOM 0 H VAL B 63 -4.590 0.278 -3.598 1.00 44.11 H new ATOM 0 HA VAL B 63 -3.854 3.057 -2.768 1.00 50.53 H new ATOM 0 HB VAL B 63 -2.538 1.383 -4.884 1.00 23.21 H new ATOM 0 HG11 VAL B 63 -0.769 3.130 -4.686 1.00 2.01 H new ATOM 0 HG12 VAL B 63 -2.342 3.831 -5.133 1.00 2.01 H new ATOM 0 HG13 VAL B 63 -1.750 3.968 -3.461 1.00 2.01 H new ATOM 0 HG21 VAL B 63 -0.636 1.099 -3.311 1.00 51.31 H new ATOM 0 HG22 VAL B 63 -1.605 1.848 -2.020 1.00 51.31 H new ATOM 0 HG23 VAL B 63 -2.110 0.293 -2.724 1.00 51.31 H new ATOM 1550 N TYR B 64 -5.286 3.888 -4.680 1.00 3.23 N ATOM 1551 CA TYR B 64 -6.149 4.363 -5.751 1.00 34.20 C ATOM 1552 C TYR B 64 -5.217 5.035 -6.758 1.00 25.13 C ATOM 1553 O TYR B 64 -4.058 5.347 -6.450 1.00 14.33 O ATOM 1554 CB TYR B 64 -7.251 5.284 -5.216 1.00 2.11 C ATOM 1555 CG TYR B 64 -8.469 4.503 -4.757 1.00 50.05 C ATOM 1556 CD1 TYR B 64 -9.481 4.183 -5.685 1.00 63.42 C ATOM 1557 CD2 TYR B 64 -8.560 4.028 -3.434 1.00 42.51 C ATOM 1558 CE1 TYR B 64 -10.562 3.369 -5.305 1.00 41.10 C ATOM 1559 CE2 TYR B 64 -9.647 3.218 -3.050 1.00 2.25 C ATOM 1560 CZ TYR B 64 -10.643 2.864 -3.990 1.00 44.33 C ATOM 1561 OH TYR B 64 -11.657 2.027 -3.633 1.00 63.42 O ATOM 0 H TYR B 64 -5.054 4.598 -3.985 1.00 3.23 H new ATOM 0 HA TYR B 64 -6.697 3.554 -6.234 1.00 34.20 H new ATOM 0 HB2 TYR B 64 -6.861 5.871 -4.384 1.00 2.11 H new ATOM 0 HB3 TYR B 64 -7.544 5.989 -5.994 1.00 2.11 H new ATOM 0 HD1 TYR B 64 -9.425 4.565 -6.693 1.00 63.42 H new ATOM 0 HD2 TYR B 64 -7.797 4.285 -2.714 1.00 42.51 H new ATOM 0 HE1 TYR B 64 -11.333 3.129 -6.022 1.00 41.10 H new ATOM 0 HE2 TYR B 64 -9.720 2.865 -2.032 1.00 2.25 H new ATOM 0 HH TYR B 64 -12.159 1.762 -4.432 1.00 63.42 H new ATOM 1570 N GLU B 65 -5.689 5.200 -7.989 1.00 12.41 N ATOM 1571 CA GLU B 65 -4.878 5.796 -9.037 1.00 64.24 C ATOM 1572 C GLU B 65 -4.436 7.211 -8.685 1.00 44.01 C ATOM 1573 O GLU B 65 -3.243 7.527 -8.789 1.00 43.23 O ATOM 1574 CB GLU B 65 -5.595 5.692 -10.382 1.00 30.15 C ATOM 1575 CG GLU B 65 -5.738 4.210 -10.771 1.00 20.24 C ATOM 1576 CD GLU B 65 -6.115 4.018 -12.235 1.00 53.22 C ATOM 1577 OE1 GLU B 65 -6.750 4.910 -12.840 1.00 44.24 O ATOM 1578 OE2 GLU B 65 -5.681 2.998 -12.809 1.00 72.15 O ATOM 0 H GLU B 65 -6.628 4.929 -8.282 1.00 12.41 H new ATOM 0 HA GLU B 65 -3.951 5.230 -9.127 1.00 64.24 H new ATOM 0 HB2 GLU B 65 -6.578 6.160 -10.320 1.00 30.15 H new ATOM 0 HB3 GLU B 65 -5.035 6.228 -11.148 1.00 30.15 H new ATOM 0 HG2 GLU B 65 -4.799 3.694 -10.572 1.00 20.24 H new ATOM 0 HG3 GLU B 65 -6.497 3.745 -10.141 1.00 20.24 H new ATOM 1583 N ASP B 66 -5.376 8.016 -8.202 1.00 75.43 N ATOM 1584 CA ASP B 66 -5.207 9.402 -7.804 1.00 53.22 C ATOM 1585 C ASP B 66 -5.580 9.587 -6.327 1.00 14.31 C ATOM 1586 O ASP B 66 -5.964 8.644 -5.634 1.00 72.43 O ATOM 1587 CB ASP B 66 -6.011 10.304 -8.749 1.00 4.35 C ATOM 1588 CG ASP B 66 -7.513 10.128 -8.553 1.00 3.45 C ATOM 1589 OD1 ASP B 66 -8.068 10.837 -7.692 1.00 0.05 O ATOM 1590 OD2 ASP B 66 -8.117 9.294 -9.264 1.00 43.41 O ATOM 0 H ASP B 66 -6.335 7.694 -8.071 1.00 75.43 H new ATOM 0 HA ASP B 66 -4.160 9.693 -7.890 1.00 53.22 H new ATOM 0 HB2 ASP B 66 -5.741 11.346 -8.576 1.00 4.35 H new ATOM 0 HB3 ASP B 66 -5.749 10.074 -9.782 1.00 4.35 H new ATOM 1594 N ILE B 67 -5.392 10.806 -5.814 1.00 34.43 N ATOM 1595 CA ILE B 67 -5.656 11.176 -4.423 1.00 61.24 C ATOM 1596 C ILE B 67 -7.082 11.693 -4.183 1.00 1.42 C ATOM 1597 O ILE B 67 -7.468 11.889 -3.030 1.00 13.34 O ATOM 1598 CB ILE B 67 -4.554 12.171 -3.969 1.00 14.11 C ATOM 1599 CG1 ILE B 67 -4.695 12.567 -2.483 1.00 72.23 C ATOM 1600 CG2 ILE B 67 -4.506 13.432 -4.856 1.00 45.30 C ATOM 1601 CD1 ILE B 67 -3.410 13.122 -1.876 1.00 64.12 C ATOM 0 H ILE B 67 -5.042 11.584 -6.372 1.00 34.43 H new ATOM 0 HA ILE B 67 -5.609 10.281 -3.803 1.00 61.24 H new ATOM 0 HB ILE B 67 -3.609 11.640 -4.085 1.00 14.11 H new ATOM 0 HG12 ILE B 67 -5.484 13.313 -2.387 1.00 72.23 H new ATOM 0 HG13 ILE B 67 -5.010 11.694 -1.911 1.00 72.23 H new ATOM 0 HG21 ILE B 67 -3.720 14.098 -4.500 1.00 45.30 H new ATOM 0 HG22 ILE B 67 -4.298 13.144 -5.887 1.00 45.30 H new ATOM 0 HG23 ILE B 67 -5.466 13.946 -4.810 1.00 45.30 H new ATOM 0 HD11 ILE B 67 -3.583 13.379 -0.831 1.00 64.12 H new ATOM 0 HD12 ILE B 67 -2.623 12.370 -1.940 1.00 64.12 H new ATOM 0 HD13 ILE B 67 -3.105 14.014 -2.423 1.00 64.12 H new ATOM 1612 N PHE B 68 -7.864 11.987 -5.218 1.00 63.43 N ATOM 1613 CA PHE B 68 -9.219 12.487 -5.055 1.00 64.35 C ATOM 1614 C PHE B 68 -10.179 11.331 -4.836 1.00 52.23 C ATOM 1615 O PHE B 68 -10.889 11.319 -3.825 1.00 44.21 O ATOM 1616 CB PHE B 68 -9.633 13.364 -6.237 1.00 35.32 C ATOM 1617 CG PHE B 68 -8.720 14.553 -6.456 1.00 64.33 C ATOM 1618 CD1 PHE B 68 -8.620 15.552 -5.471 1.00 1.44 C ATOM 1619 CD2 PHE B 68 -7.988 14.680 -7.652 1.00 31.32 C ATOM 1620 CE1 PHE B 68 -7.773 16.656 -5.666 1.00 72.22 C ATOM 1621 CE2 PHE B 68 -7.161 15.799 -7.854 1.00 61.01 C ATOM 1622 CZ PHE B 68 -7.041 16.780 -6.856 1.00 61.14 C ATOM 0 H PHE B 68 -7.574 11.884 -6.190 1.00 63.43 H new ATOM 0 HA PHE B 68 -9.254 13.122 -4.170 1.00 64.35 H new ATOM 0 HB2 PHE B 68 -9.649 12.757 -7.142 1.00 35.32 H new ATOM 0 HB3 PHE B 68 -10.650 13.722 -6.075 1.00 35.32 H new ATOM 0 HD1 PHE B 68 -9.196 15.470 -4.561 1.00 1.44 H new ATOM 0 HD2 PHE B 68 -8.062 13.918 -8.414 1.00 31.32 H new ATOM 0 HE1 PHE B 68 -7.685 17.410 -4.898 1.00 72.22 H new ATOM 0 HE2 PHE B 68 -6.616 15.905 -8.780 1.00 61.01 H new ATOM 0 HZ PHE B 68 -6.387 17.627 -7.004 1.00 61.14 H new ATOM 1631 N ASP B 69 -10.146 10.344 -5.737 1.00 54.43 N ATOM 1632 CA ASP B 69 -11.006 9.158 -5.689 1.00 4.52 C ATOM 1633 C ASP B 69 -10.786 8.378 -4.391 1.00 33.31 C ATOM 1634 O ASP B 69 -11.711 7.769 -3.850 1.00 52.05 O ATOM 1635 CB ASP B 69 -10.750 8.256 -6.913 1.00 73.40 C ATOM 1636 CG ASP B 69 -12.032 7.907 -7.671 1.00 72.31 C ATOM 1637 OD1 ASP B 69 -13.095 7.694 -7.048 1.00 45.11 O ATOM 1638 OD2 ASP B 69 -12.004 7.864 -8.919 1.00 52.03 O ATOM 0 H ASP B 69 -9.510 10.347 -6.534 1.00 54.43 H new ATOM 0 HA ASP B 69 -12.044 9.489 -5.714 1.00 4.52 H new ATOM 0 HB2 ASP B 69 -10.058 8.758 -7.590 1.00 73.40 H new ATOM 0 HB3 ASP B 69 -10.265 7.336 -6.586 1.00 73.40 H new ATOM 1642 N ALA B 70 -9.563 8.429 -3.852 1.00 71.44 N ATOM 1643 CA ALA B 70 -9.213 7.748 -2.616 1.00 54.00 C ATOM 1644 C ALA B 70 -10.050 8.278 -1.445 1.00 2.13 C ATOM 1645 O ALA B 70 -10.432 7.504 -0.571 1.00 41.33 O ATOM 1646 CB ALA B 70 -7.719 7.930 -2.324 1.00 12.00 C ATOM 0 H ALA B 70 -8.790 8.948 -4.268 1.00 71.44 H new ATOM 0 HA ALA B 70 -9.427 6.686 -2.734 1.00 54.00 H new ATOM 0 HB1 ALA B 70 -7.464 7.417 -1.397 1.00 12.00 H new ATOM 0 HB2 ALA B 70 -7.134 7.511 -3.143 1.00 12.00 H new ATOM 0 HB3 ALA B 70 -7.494 8.992 -2.225 1.00 12.00 H new ATOM 1652 N LYS B 71 -10.317 9.590 -1.385 1.00 41.13 N ATOM 1653 CA LYS B 71 -11.105 10.166 -0.292 1.00 53.32 C ATOM 1654 C LYS B 71 -12.565 9.765 -0.442 1.00 70.05 C ATOM 1655 O LYS B 71 -13.222 9.506 0.567 1.00 15.13 O ATOM 1656 CB LYS B 71 -10.985 11.696 -0.192 1.00 23.51 C ATOM 1657 CG LYS B 71 -9.583 12.223 -0.502 1.00 65.15 C ATOM 1658 CD LYS B 71 -9.373 13.645 0.044 1.00 3.43 C ATOM 1659 CE LYS B 71 -8.124 14.329 -0.520 1.00 0.41 C ATOM 1660 NZ LYS B 71 -8.190 14.426 -1.991 1.00 20.43 N ATOM 0 H LYS B 71 -10.000 10.268 -2.078 1.00 41.13 H new ATOM 0 HA LYS B 71 -10.696 9.764 0.635 1.00 53.32 H new ATOM 0 HB2 LYS B 71 -11.696 12.153 -0.880 1.00 23.51 H new ATOM 0 HB3 LYS B 71 -11.267 12.009 0.813 1.00 23.51 H new ATOM 0 HG2 LYS B 71 -8.839 11.554 -0.069 1.00 65.15 H new ATOM 0 HG3 LYS B 71 -9.424 12.221 -1.580 1.00 65.15 H new ATOM 0 HD2 LYS B 71 -10.248 14.250 -0.191 1.00 3.43 H new ATOM 0 HD3 LYS B 71 -9.297 13.603 1.131 1.00 3.43 H new ATOM 0 HE2 LYS B 71 -8.026 15.326 -0.091 1.00 0.41 H new ATOM 0 HE3 LYS B 71 -7.236 13.768 -0.229 1.00 0.41 H new ATOM 0 HZ1 LYS B 71 -7.561 15.187 -2.317 1.00 20.43 H new ATOM 0 HZ2 LYS B 71 -7.889 13.524 -2.412 1.00 20.43 H new ATOM 0 HZ3 LYS B 71 -9.166 14.635 -2.282 1.00 20.43 H new ATOM 1670 N ASN B 72 -13.073 9.743 -1.682 1.00 22.50 N ATOM 1671 CA ASN B 72 -14.453 9.360 -1.974 1.00 71.05 C ATOM 1672 C ASN B 72 -14.690 7.977 -1.367 1.00 22.12 C ATOM 1673 O ASN B 72 -15.578 7.817 -0.529 1.00 54.21 O ATOM 1674 CB ASN B 72 -14.719 9.401 -3.489 1.00 12.11 C ATOM 1675 CG ASN B 72 -16.126 8.919 -3.823 1.00 41.21 C ATOM 1676 OD1 ASN B 72 -17.081 9.668 -3.640 1.00 21.32 O ATOM 1677 ND2 ASN B 72 -16.287 7.700 -4.312 1.00 1.31 N ATOM 0 H ASN B 72 -12.533 9.992 -2.511 1.00 22.50 H new ATOM 0 HA ASN B 72 -15.157 10.064 -1.531 1.00 71.05 H new ATOM 0 HB2 ASN B 72 -14.586 10.419 -3.855 1.00 12.11 H new ATOM 0 HB3 ASN B 72 -13.988 8.778 -4.005 1.00 12.11 H new ATOM 0 HD21 ASN B 72 -17.221 7.364 -4.546 1.00 1.31 H new ATOM 0 HD22 ASN B 72 -15.477 7.097 -4.455 1.00 1.31 H new ATOM 1683 N ALA B 73 -13.824 7.017 -1.711 1.00 63.04 N ATOM 1684 CA ALA B 73 -13.888 5.650 -1.214 1.00 61.52 C ATOM 1685 C ALA B 73 -13.669 5.581 0.296 1.00 71.13 C ATOM 1686 O ALA B 73 -14.346 4.810 0.966 1.00 44.22 O ATOM 1687 CB ALA B 73 -12.800 4.801 -1.877 1.00 21.14 C ATOM 0 H ALA B 73 -13.048 7.177 -2.354 1.00 63.04 H new ATOM 0 HA ALA B 73 -14.883 5.274 -1.451 1.00 61.52 H new ATOM 0 HB1 ALA B 73 -12.855 3.780 -1.500 1.00 21.14 H new ATOM 0 HB2 ALA B 73 -12.949 4.797 -2.957 1.00 21.14 H new ATOM 0 HB3 ALA B 73 -11.821 5.221 -1.647 1.00 21.14 H new ATOM 1693 N CYS B 74 -12.729 6.369 0.831 1.00 62.42 N ATOM 1694 CA CYS B 74 -12.401 6.392 2.249 1.00 72.52 C ATOM 1695 C CYS B 74 -13.650 6.564 3.106 1.00 23.53 C ATOM 1696 O CYS B 74 -13.921 5.718 3.955 1.00 74.54 O ATOM 1697 CB CYS B 74 -11.371 7.493 2.547 1.00 52.12 C ATOM 1698 SG CYS B 74 -10.927 7.478 4.306 1.00 53.21 S ATOM 0 H CYS B 74 -12.170 7.017 0.276 1.00 62.42 H new ATOM 0 HA CYS B 74 -11.958 5.430 2.507 1.00 72.52 H new ATOM 0 HB2 CYS B 74 -10.480 7.341 1.938 1.00 52.12 H new ATOM 0 HB3 CYS B 74 -11.780 8.466 2.276 1.00 52.12 H new ATOM 0 HG CYS B 74 -10.550 8.668 4.669 1.00 53.21 H new ATOM 1703 N ASP B 75 -14.395 7.650 2.906 1.00 20.12 N ATOM 1704 CA ASP B 75 -15.599 7.902 3.696 1.00 52.53 C ATOM 1705 C ASP B 75 -16.684 6.879 3.401 1.00 63.41 C ATOM 1706 O ASP B 75 -17.381 6.460 4.321 1.00 23.42 O ATOM 1707 CB ASP B 75 -16.130 9.327 3.467 1.00 53.24 C ATOM 1708 CG ASP B 75 -15.380 10.395 4.265 1.00 71.31 C ATOM 1709 OD1 ASP B 75 -14.582 10.074 5.179 1.00 32.22 O ATOM 1710 OD2 ASP B 75 -15.563 11.603 3.991 1.00 1.12 O ATOM 0 H ASP B 75 -14.188 8.365 2.209 1.00 20.12 H new ATOM 0 HA ASP B 75 -15.319 7.805 4.745 1.00 52.53 H new ATOM 0 HB2 ASP B 75 -16.063 9.565 2.405 1.00 53.24 H new ATOM 0 HB3 ASP B 75 -17.186 9.360 3.735 1.00 53.24 H new ATOM 1714 N HIS B 76 -16.815 6.453 2.144 1.00 71.24 N ATOM 1715 CA HIS B 76 -17.823 5.481 1.735 1.00 33.03 C ATOM 1716 C HIS B 76 -17.587 4.100 2.370 1.00 30.30 C ATOM 1717 O HIS B 76 -18.546 3.363 2.600 1.00 33.31 O ATOM 1718 CB HIS B 76 -17.805 5.398 0.202 1.00 70.42 C ATOM 1719 CG HIS B 76 -19.101 5.004 -0.456 1.00 1.44 C ATOM 1720 ND1 HIS B 76 -20.083 4.168 0.032 1.00 53.43 N ATOM 1721 CD2 HIS B 76 -19.500 5.437 -1.690 1.00 61.50 C ATOM 1722 CE1 HIS B 76 -21.046 4.081 -0.899 1.00 14.30 C ATOM 1723 NE2 HIS B 76 -20.741 4.852 -1.958 1.00 43.21 N ATOM 0 H HIS B 76 -16.221 6.775 1.380 1.00 71.24 H new ATOM 0 HA HIS B 76 -18.802 5.808 2.084 1.00 33.03 H new ATOM 0 HB2 HIS B 76 -17.502 6.369 -0.190 1.00 70.42 H new ATOM 0 HB3 HIS B 76 -17.039 4.682 -0.094 1.00 70.42 H new ATOM 0 HD1 HIS B 76 -20.078 3.700 0.938 1.00 53.43 H new ATOM 0 HD2 HIS B 76 -18.956 6.108 -2.339 1.00 61.50 H new ATOM 0 HE1 HIS B 76 -21.938 3.478 -0.810 1.00 14.30 H new ATOM 1730 N LEU B 77 -16.339 3.763 2.712 1.00 43.43 N ATOM 1731 CA LEU B 77 -15.955 2.481 3.305 1.00 73.43 C ATOM 1732 C LEU B 77 -15.674 2.550 4.816 1.00 53.32 C ATOM 1733 O LEU B 77 -15.595 1.510 5.476 1.00 60.25 O ATOM 1734 CB LEU B 77 -14.718 1.995 2.533 1.00 22.53 C ATOM 1735 CG LEU B 77 -14.260 0.557 2.838 1.00 42.44 C ATOM 1736 CD1 LEU B 77 -15.277 -0.499 2.387 1.00 41.53 C ATOM 1737 CD2 LEU B 77 -12.942 0.310 2.108 1.00 34.12 C ATOM 0 H LEU B 77 -15.548 4.393 2.580 1.00 43.43 H new ATOM 0 HA LEU B 77 -16.790 1.785 3.219 1.00 73.43 H new ATOM 0 HB2 LEU B 77 -14.926 2.071 1.466 1.00 22.53 H new ATOM 0 HB3 LEU B 77 -13.891 2.672 2.746 1.00 22.53 H new ATOM 0 HG LEU B 77 -14.152 0.464 3.919 1.00 42.44 H new ATOM 0 HD11 LEU B 77 -14.900 -1.493 2.628 1.00 41.53 H new ATOM 0 HD12 LEU B 77 -16.224 -0.335 2.901 1.00 41.53 H new ATOM 0 HD13 LEU B 77 -15.430 -0.420 1.311 1.00 41.53 H new ATOM 0 HD21 LEU B 77 -12.599 -0.704 2.310 1.00 34.12 H new ATOM 0 HD22 LEU B 77 -13.091 0.436 1.036 1.00 34.12 H new ATOM 0 HD23 LEU B 77 -12.194 1.022 2.456 1.00 34.12 H new ATOM 1748 N SER B 78 -15.510 3.745 5.389 1.00 11.05 N ATOM 1749 CA SER B 78 -15.224 3.912 6.809 1.00 11.31 C ATOM 1750 C SER B 78 -16.347 3.289 7.648 1.00 55.13 C ATOM 1751 O SER B 78 -17.501 3.710 7.574 1.00 54.12 O ATOM 1752 CB SER B 78 -14.984 5.396 7.121 1.00 21.53 C ATOM 1753 OG SER B 78 -14.425 5.542 8.413 1.00 21.22 O ATOM 0 H SER B 78 -15.573 4.624 4.876 1.00 11.05 H new ATOM 0 HA SER B 78 -14.309 3.383 7.074 1.00 11.31 H new ATOM 0 HB2 SER B 78 -14.315 5.827 6.377 1.00 21.53 H new ATOM 0 HB3 SER B 78 -15.924 5.944 7.060 1.00 21.53 H new ATOM 0 HG SER B 78 -14.275 6.492 8.599 1.00 21.22 H new ATOM 1758 N GLY B 79 -16.031 2.252 8.430 1.00 62.00 N ATOM 1759 CA GLY B 79 -17.004 1.579 9.276 1.00 32.52 C ATOM 1760 C GLY B 79 -18.093 0.834 8.509 1.00 53.33 C ATOM 1761 O GLY B 79 -19.136 0.562 9.105 1.00 22.22 O ATOM 0 H GLY B 79 -15.091 1.860 8.490 1.00 62.00 H new ATOM 0 HA2 GLY B 79 -16.481 0.872 9.920 1.00 32.52 H new ATOM 0 HA3 GLY B 79 -17.474 2.316 9.927 1.00 32.52 H new ATOM 1765 N PHE B 80 -17.875 0.499 7.231 1.00 42.34 N ATOM 1766 CA PHE B 80 -18.852 -0.201 6.402 1.00 64.02 C ATOM 1767 C PHE B 80 -19.338 -1.467 7.120 1.00 1.50 C ATOM 1768 O PHE B 80 -18.540 -2.216 7.689 1.00 61.32 O ATOM 1769 CB PHE B 80 -18.232 -0.486 5.027 1.00 54.41 C ATOM 1770 CG PHE B 80 -19.168 -1.002 3.949 1.00 75.51 C ATOM 1771 CD1 PHE B 80 -20.410 -0.377 3.717 1.00 13.34 C ATOM 1772 CD2 PHE B 80 -18.761 -2.067 3.121 1.00 31.33 C ATOM 1773 CE1 PHE B 80 -21.250 -0.841 2.694 1.00 75.15 C ATOM 1774 CE2 PHE B 80 -19.599 -2.515 2.085 1.00 63.23 C ATOM 1775 CZ PHE B 80 -20.849 -1.911 1.880 1.00 12.12 C ATOM 0 H PHE B 80 -17.005 0.711 6.743 1.00 42.34 H new ATOM 0 HA PHE B 80 -19.734 0.418 6.239 1.00 64.02 H new ATOM 0 HB2 PHE B 80 -17.771 0.433 4.665 1.00 54.41 H new ATOM 0 HB3 PHE B 80 -17.432 -1.214 5.159 1.00 54.41 H new ATOM 0 HD1 PHE B 80 -20.715 0.460 4.328 1.00 13.34 H new ATOM 0 HD2 PHE B 80 -17.804 -2.540 3.283 1.00 31.33 H new ATOM 0 HE1 PHE B 80 -22.210 -0.373 2.532 1.00 75.15 H new ATOM 0 HE2 PHE B 80 -19.280 -3.325 1.446 1.00 63.23 H new ATOM 0 HZ PHE B 80 -21.501 -2.269 1.097 1.00 12.12 H new ATOM 1784 N ASN B 81 -20.658 -1.661 7.133 1.00 33.12 N ATOM 1785 CA ASN B 81 -21.348 -2.776 7.776 1.00 62.43 C ATOM 1786 C ASN B 81 -21.400 -3.996 6.857 1.00 53.53 C ATOM 1787 O ASN B 81 -22.269 -4.093 5.988 1.00 32.21 O ATOM 1788 CB ASN B 81 -22.763 -2.337 8.185 1.00 3.45 C ATOM 1789 CG ASN B 81 -23.551 -3.444 8.881 1.00 73.20 C ATOM 1790 OD1 ASN B 81 -22.998 -4.441 9.338 1.00 3.14 O ATOM 1791 ND2 ASN B 81 -24.850 -3.249 9.035 1.00 34.24 N ATOM 0 H ASN B 81 -21.302 -1.016 6.675 1.00 33.12 H new ATOM 0 HA ASN B 81 -20.793 -3.065 8.669 1.00 62.43 H new ATOM 0 HB2 ASN B 81 -22.693 -1.475 8.849 1.00 3.45 H new ATOM 0 HB3 ASN B 81 -23.308 -2.013 7.298 1.00 3.45 H new ATOM 0 HD21 ASN B 81 -25.412 -3.933 9.541 1.00 34.24 H new ATOM 0 HD22 ASN B 81 -25.290 -2.414 8.648 1.00 34.24 H new ATOM 1797 N VAL B 82 -20.471 -4.924 7.045 1.00 55.52 N ATOM 1798 CA VAL B 82 -20.331 -6.167 6.290 1.00 32.05 C ATOM 1799 C VAL B 82 -19.985 -7.269 7.287 1.00 25.13 C ATOM 1800 O VAL B 82 -19.317 -6.990 8.283 1.00 24.11 O ATOM 1801 CB VAL B 82 -19.242 -6.022 5.205 1.00 10.03 C ATOM 1802 CG1 VAL B 82 -19.797 -5.293 3.978 1.00 62.53 C ATOM 1803 CG2 VAL B 82 -17.984 -5.282 5.701 1.00 33.11 C ATOM 0 H VAL B 82 -19.756 -4.827 7.766 1.00 55.52 H new ATOM 0 HA VAL B 82 -21.258 -6.414 5.772 1.00 32.05 H new ATOM 0 HB VAL B 82 -18.946 -7.037 4.942 1.00 10.03 H new ATOM 0 HG11 VAL B 82 -19.015 -5.201 3.225 1.00 62.53 H new ATOM 0 HG12 VAL B 82 -20.633 -5.859 3.566 1.00 62.53 H new ATOM 0 HG13 VAL B 82 -20.140 -4.300 4.269 1.00 62.53 H new ATOM 0 HG21 VAL B 82 -17.258 -5.214 4.890 1.00 33.11 H new ATOM 0 HG22 VAL B 82 -18.257 -4.279 6.028 1.00 33.11 H new ATOM 0 HG23 VAL B 82 -17.545 -5.829 6.536 1.00 33.11 H new ATOM 1813 N CYS B 83 -20.443 -8.505 7.049 1.00 54.14 N ATOM 1814 CA CYS B 83 -20.204 -9.674 7.906 1.00 15.22 C ATOM 1815 C CYS B 83 -20.436 -9.390 9.403 1.00 2.23 C ATOM 1816 O CYS B 83 -19.747 -9.962 10.252 1.00 43.42 O ATOM 1817 CB CYS B 83 -18.783 -10.210 7.656 1.00 54.14 C ATOM 1818 SG CYS B 83 -18.456 -10.446 5.888 1.00 1.44 S ATOM 0 H CYS B 83 -21.008 -8.726 6.229 1.00 54.14 H new ATOM 0 HA CYS B 83 -20.937 -10.433 7.635 1.00 15.22 H new ATOM 0 HB2 CYS B 83 -18.054 -9.515 8.071 1.00 54.14 H new ATOM 0 HB3 CYS B 83 -18.654 -11.157 8.179 1.00 54.14 H new ATOM 0 HG CYS B 83 -17.247 -10.896 5.727 1.00 1.44 H new ATOM 1823 N ASN B 84 -21.370 -8.488 9.737 1.00 21.34 N ATOM 1824 CA ASN B 84 -21.710 -8.078 11.107 1.00 54.33 C ATOM 1825 C ASN B 84 -20.501 -7.489 11.848 1.00 44.31 C ATOM 1826 O ASN B 84 -20.451 -7.484 13.080 1.00 33.12 O ATOM 1827 CB ASN B 84 -22.418 -9.205 11.881 1.00 55.12 C ATOM 1828 CG ASN B 84 -23.678 -9.638 11.153 1.00 31.31 C ATOM 1829 OD1 ASN B 84 -23.610 -10.392 10.192 1.00 51.22 O ATOM 1830 ND2 ASN B 84 -24.839 -9.162 11.550 1.00 11.53 N ATOM 0 H ASN B 84 -21.930 -8.006 9.034 1.00 21.34 H new ATOM 0 HA ASN B 84 -22.434 -7.266 11.038 1.00 54.33 H new ATOM 0 HB2 ASN B 84 -21.745 -10.055 11.994 1.00 55.12 H new ATOM 0 HB3 ASN B 84 -22.670 -8.863 12.885 1.00 55.12 H new ATOM 0 HD21 ASN B 84 -25.693 -9.421 11.055 1.00 11.53 H new ATOM 0 HD22 ASN B 84 -24.885 -8.534 12.352 1.00 11.53 H new ATOM 1836 N ARG B 85 -19.522 -6.980 11.099 1.00 3.23 N ATOM 1837 CA ARG B 85 -18.280 -6.356 11.535 1.00 74.21 C ATOM 1838 C ARG B 85 -18.296 -4.898 11.075 1.00 23.44 C ATOM 1839 O ARG B 85 -19.261 -4.441 10.459 1.00 44.41 O ATOM 1840 CB ARG B 85 -17.101 -7.134 10.921 1.00 20.45 C ATOM 1841 CG ARG B 85 -16.902 -8.510 11.568 1.00 53.31 C ATOM 1842 CD ARG B 85 -16.035 -9.398 10.678 1.00 74.53 C ATOM 1843 NE ARG B 85 -15.676 -10.651 11.364 1.00 5.51 N ATOM 1844 CZ ARG B 85 -14.468 -10.977 11.840 1.00 23.33 C ATOM 1845 NH1 ARG B 85 -13.452 -10.119 11.788 1.00 32.51 N ATOM 1846 NH2 ARG B 85 -14.266 -12.159 12.404 1.00 20.31 N ATOM 0 H ARG B 85 -19.588 -6.997 10.081 1.00 3.23 H new ATOM 0 HA ARG B 85 -18.174 -6.378 12.620 1.00 74.21 H new ATOM 0 HB2 ARG B 85 -17.271 -7.261 9.852 1.00 20.45 H new ATOM 0 HB3 ARG B 85 -16.188 -6.549 11.031 1.00 20.45 H new ATOM 0 HG2 ARG B 85 -16.432 -8.395 12.545 1.00 53.31 H new ATOM 0 HG3 ARG B 85 -17.869 -8.984 11.733 1.00 53.31 H new ATOM 0 HD2 ARG B 85 -16.570 -9.626 9.756 1.00 74.53 H new ATOM 0 HD3 ARG B 85 -15.129 -8.862 10.397 1.00 74.53 H new ATOM 0 HE ARG B 85 -16.420 -11.337 11.489 1.00 5.51 H new ATOM 0 HH11 ARG B 85 -13.586 -9.194 11.380 1.00 32.51 H new ATOM 0 HH12 ARG B 85 -12.539 -10.387 12.156 1.00 32.51 H new ATOM 0 HH21 ARG B 85 -15.033 -12.827 12.477 1.00 20.31 H new ATOM 0 HH22 ARG B 85 -13.343 -12.401 12.765 1.00 20.31 H new ATOM 1857 N TYR B 86 -17.239 -4.162 11.402 1.00 24.40 N ATOM 1858 CA TYR B 86 -17.053 -2.765 11.057 1.00 11.02 C ATOM 1859 C TYR B 86 -15.601 -2.610 10.627 1.00 61.11 C ATOM 1860 O TYR B 86 -14.692 -2.985 11.373 1.00 40.55 O ATOM 1861 CB TYR B 86 -17.392 -1.863 12.257 1.00 30.13 C ATOM 1862 CG TYR B 86 -16.617 -2.163 13.532 1.00 43.13 C ATOM 1863 CD1 TYR B 86 -17.065 -3.173 14.402 1.00 34.44 C ATOM 1864 CD2 TYR B 86 -15.425 -1.469 13.826 1.00 41.05 C ATOM 1865 CE1 TYR B 86 -16.314 -3.515 15.538 1.00 13.23 C ATOM 1866 CE2 TYR B 86 -14.673 -1.802 14.967 1.00 12.32 C ATOM 1867 CZ TYR B 86 -15.114 -2.834 15.825 1.00 2.31 C ATOM 1868 OH TYR B 86 -14.390 -3.158 16.932 1.00 71.11 O ATOM 0 H TYR B 86 -16.458 -4.543 11.937 1.00 24.40 H new ATOM 0 HA TYR B 86 -17.719 -2.463 10.249 1.00 11.02 H new ATOM 0 HB2 TYR B 86 -17.209 -0.826 11.975 1.00 30.13 H new ATOM 0 HB3 TYR B 86 -18.457 -1.952 12.469 1.00 30.13 H new ATOM 0 HD1 TYR B 86 -17.991 -3.688 14.195 1.00 34.44 H new ATOM 0 HD2 TYR B 86 -15.088 -0.678 13.172 1.00 41.05 H new ATOM 0 HE1 TYR B 86 -16.657 -4.302 16.193 1.00 13.23 H new ATOM 0 HE2 TYR B 86 -13.760 -1.269 15.187 1.00 12.32 H new ATOM 0 HH TYR B 86 -13.591 -2.592 16.978 1.00 71.11 H new ATOM 1877 N LEU B 87 -15.363 -2.143 9.403 1.00 72.54 N ATOM 1878 CA LEU B 87 -13.991 -1.955 8.933 1.00 50.13 C ATOM 1879 C LEU B 87 -13.409 -0.706 9.612 1.00 73.42 C ATOM 1880 O LEU B 87 -14.137 0.060 10.243 1.00 4.54 O ATOM 1881 CB LEU B 87 -13.920 -1.842 7.403 1.00 52.20 C ATOM 1882 CG LEU B 87 -14.687 -2.918 6.619 1.00 40.03 C ATOM 1883 CD1 LEU B 87 -14.634 -2.549 5.139 1.00 24.23 C ATOM 1884 CD2 LEU B 87 -14.105 -4.319 6.840 1.00 12.45 C ATOM 0 H LEU B 87 -16.087 -1.892 8.729 1.00 72.54 H new ATOM 0 HA LEU B 87 -13.399 -2.830 9.202 1.00 50.13 H new ATOM 0 HB2 LEU B 87 -14.303 -0.864 7.111 1.00 52.20 H new ATOM 0 HB3 LEU B 87 -12.873 -1.877 7.103 1.00 52.20 H new ATOM 0 HG LEU B 87 -15.717 -2.950 6.974 1.00 40.03 H new ATOM 0 HD11 LEU B 87 -15.172 -3.298 4.558 1.00 24.23 H new ATOM 0 HD12 LEU B 87 -15.097 -1.573 4.991 1.00 24.23 H new ATOM 0 HD13 LEU B 87 -13.595 -2.512 4.810 1.00 24.23 H new ATOM 0 HD21 LEU B 87 -14.679 -5.046 6.266 1.00 12.45 H new ATOM 0 HD22 LEU B 87 -13.066 -4.337 6.512 1.00 12.45 H new ATOM 0 HD23 LEU B 87 -14.156 -4.571 7.899 1.00 12.45 H new ATOM 1895 N VAL B 88 -12.095 -0.499 9.504 1.00 24.42 N ATOM 1896 CA VAL B 88 -11.418 0.660 10.091 1.00 44.43 C ATOM 1897 C VAL B 88 -10.521 1.199 8.986 1.00 43.44 C ATOM 1898 O VAL B 88 -9.548 0.541 8.610 1.00 13.43 O ATOM 1899 CB VAL B 88 -10.652 0.298 11.380 1.00 3.41 C ATOM 1900 CG1 VAL B 88 -10.256 1.580 12.126 1.00 2.14 C ATOM 1901 CG2 VAL B 88 -11.457 -0.625 12.314 1.00 40.42 C ATOM 0 H VAL B 88 -11.469 -1.132 9.006 1.00 24.42 H new ATOM 0 HA VAL B 88 -12.125 1.421 10.421 1.00 44.43 H new ATOM 0 HB VAL B 88 -9.761 -0.253 11.079 1.00 3.41 H new ATOM 0 HG11 VAL B 88 -9.715 1.319 13.036 1.00 2.14 H new ATOM 0 HG12 VAL B 88 -9.618 2.190 11.487 1.00 2.14 H new ATOM 0 HG13 VAL B 88 -11.153 2.142 12.386 1.00 2.14 H new ATOM 0 HG21 VAL B 88 -10.868 -0.846 13.204 1.00 40.42 H new ATOM 0 HG22 VAL B 88 -12.383 -0.129 12.606 1.00 40.42 H new ATOM 0 HG23 VAL B 88 -11.691 -1.554 11.794 1.00 40.42 H new ATOM 1911 N VAL B 89 -10.887 2.337 8.398 1.00 72.33 N ATOM 1912 CA VAL B 89 -10.156 2.968 7.307 1.00 62.24 C ATOM 1913 C VAL B 89 -9.229 4.043 7.878 1.00 50.41 C ATOM 1914 O VAL B 89 -9.651 4.856 8.704 1.00 32.53 O ATOM 1915 CB VAL B 89 -11.163 3.515 6.267 1.00 53.03 C ATOM 1916 CG1 VAL B 89 -10.422 4.148 5.083 1.00 41.41 C ATOM 1917 CG2 VAL B 89 -12.049 2.400 5.677 1.00 1.30 C ATOM 0 H VAL B 89 -11.720 2.856 8.676 1.00 72.33 H new ATOM 0 HA VAL B 89 -9.524 2.248 6.787 1.00 62.24 H new ATOM 0 HB VAL B 89 -11.777 4.244 6.797 1.00 53.03 H new ATOM 0 HG11 VAL B 89 -11.146 4.527 4.362 1.00 41.41 H new ATOM 0 HG12 VAL B 89 -9.801 4.969 5.440 1.00 41.41 H new ATOM 0 HG13 VAL B 89 -9.792 3.398 4.605 1.00 41.41 H new ATOM 0 HG21 VAL B 89 -12.740 2.830 4.952 1.00 1.30 H new ATOM 0 HG22 VAL B 89 -11.420 1.659 5.184 1.00 1.30 H new ATOM 0 HG23 VAL B 89 -12.614 1.922 6.478 1.00 1.30 H new ATOM 1927 N LEU B 90 -7.966 4.050 7.440 1.00 61.43 N ATOM 1928 CA LEU B 90 -6.942 5.000 7.862 1.00 50.51 C ATOM 1929 C LEU B 90 -6.037 5.329 6.668 1.00 63.42 C ATOM 1930 O LEU B 90 -6.000 4.569 5.694 1.00 5.31 O ATOM 1931 CB LEU B 90 -6.161 4.381 9.039 1.00 4.43 C ATOM 1932 CG LEU B 90 -5.059 5.274 9.640 1.00 63.41 C ATOM 1933 CD1 LEU B 90 -5.633 6.570 10.222 1.00 72.43 C ATOM 1934 CD2 LEU B 90 -4.278 4.504 10.710 1.00 2.50 C ATOM 0 H LEU B 90 -7.621 3.372 6.761 1.00 61.43 H new ATOM 0 HA LEU B 90 -7.383 5.937 8.202 1.00 50.51 H new ATOM 0 HB2 LEU B 90 -6.868 4.124 9.828 1.00 4.43 H new ATOM 0 HB3 LEU B 90 -5.707 3.449 8.702 1.00 4.43 H new ATOM 0 HG LEU B 90 -4.379 5.551 8.834 1.00 63.41 H new ATOM 0 HD11 LEU B 90 -4.824 7.172 10.636 1.00 72.43 H new ATOM 0 HD12 LEU B 90 -6.137 7.131 9.435 1.00 72.43 H new ATOM 0 HD13 LEU B 90 -6.347 6.330 11.010 1.00 72.43 H new ATOM 0 HD21 LEU B 90 -3.502 5.146 11.127 1.00 2.50 H new ATOM 0 HD22 LEU B 90 -4.958 4.194 11.504 1.00 2.50 H new ATOM 0 HD23 LEU B 90 -3.818 3.623 10.262 1.00 2.50 H new ATOM 1945 N TYR B 91 -5.360 6.479 6.701 1.00 52.35 N ATOM 1946 CA TYR B 91 -4.445 6.921 5.650 1.00 23.45 C ATOM 1947 C TYR B 91 -3.056 6.328 5.919 1.00 1.13 C ATOM 1948 O TYR B 91 -2.732 5.961 7.053 1.00 2.33 O ATOM 1949 CB TYR B 91 -4.357 8.461 5.641 1.00 53.04 C ATOM 1950 CG TYR B 91 -5.667 9.224 5.477 1.00 53.01 C ATOM 1951 CD1 TYR B 91 -6.731 8.698 4.716 1.00 34.32 C ATOM 1952 CD2 TYR B 91 -5.813 10.496 6.065 1.00 21.13 C ATOM 1953 CE1 TYR B 91 -7.933 9.409 4.574 1.00 50.44 C ATOM 1954 CE2 TYR B 91 -7.023 11.204 5.944 1.00 13.15 C ATOM 1955 CZ TYR B 91 -8.101 10.653 5.215 1.00 11.44 C ATOM 1956 OH TYR B 91 -9.304 11.288 5.155 1.00 50.33 O ATOM 0 H TYR B 91 -5.435 7.140 7.474 1.00 52.35 H new ATOM 0 HA TYR B 91 -4.812 6.583 4.681 1.00 23.45 H new ATOM 0 HB2 TYR B 91 -3.893 8.780 6.574 1.00 53.04 H new ATOM 0 HB3 TYR B 91 -3.687 8.758 4.834 1.00 53.04 H new ATOM 0 HD1 TYR B 91 -6.620 7.737 4.237 1.00 34.32 H new ATOM 0 HD2 TYR B 91 -4.990 10.931 6.613 1.00 21.13 H new ATOM 0 HE1 TYR B 91 -8.732 9.002 3.972 1.00 50.44 H new ATOM 0 HE2 TYR B 91 -7.128 12.172 6.410 1.00 13.15 H new ATOM 0 HH TYR B 91 -9.253 12.133 5.649 1.00 50.33 H new ATOM 1965 N TYR B 92 -2.218 6.223 4.887 1.00 20.32 N ATOM 1966 CA TYR B 92 -0.869 5.691 5.062 1.00 34.01 C ATOM 1967 C TYR B 92 0.062 6.797 5.583 1.00 74.10 C ATOM 1968 O TYR B 92 -0.249 7.986 5.455 1.00 5.10 O ATOM 1969 CB TYR B 92 -0.376 5.071 3.756 1.00 75.12 C ATOM 1970 CG TYR B 92 1.018 4.478 3.828 1.00 4.32 C ATOM 1971 CD1 TYR B 92 1.397 3.659 4.915 1.00 0.10 C ATOM 1972 CD2 TYR B 92 1.969 4.827 2.851 1.00 22.21 C ATOM 1973 CE1 TYR B 92 2.741 3.282 5.073 1.00 11.25 C ATOM 1974 CE2 TYR B 92 3.296 4.382 2.957 1.00 4.20 C ATOM 1975 CZ TYR B 92 3.694 3.652 4.098 1.00 70.22 C ATOM 1976 OH TYR B 92 4.995 3.308 4.250 1.00 30.05 O ATOM 0 H TYR B 92 -2.447 6.496 3.931 1.00 20.32 H new ATOM 0 HA TYR B 92 -0.875 4.896 5.808 1.00 34.01 H new ATOM 0 HB2 TYR B 92 -1.074 4.290 3.453 1.00 75.12 H new ATOM 0 HB3 TYR B 92 -0.393 5.834 2.977 1.00 75.12 H new ATOM 0 HD1 TYR B 92 0.654 3.323 5.624 1.00 0.10 H new ATOM 0 HD2 TYR B 92 1.675 5.442 2.013 1.00 22.21 H new ATOM 0 HE1 TYR B 92 3.045 2.711 5.938 1.00 11.25 H new ATOM 0 HE2 TYR B 92 4.007 4.596 2.172 1.00 4.20 H new ATOM 0 HH TYR B 92 5.236 2.635 3.580 1.00 30.05 H new ATOM 1985 N ASN B 93 1.209 6.421 6.151 1.00 50.42 N ATOM 1986 CA ASN B 93 2.217 7.302 6.719 1.00 52.21 C ATOM 1987 C ASN B 93 3.578 6.886 6.194 1.00 22.41 C ATOM 1988 O ASN B 93 4.196 5.977 6.775 1.00 10.15 O ATOM 1989 CB ASN B 93 2.138 7.220 8.250 1.00 31.01 C ATOM 1990 CG ASN B 93 3.173 8.095 8.938 1.00 13.22 C ATOM 1991 OD1 ASN B 93 3.768 8.995 8.346 1.00 72.21 O ATOM 1992 ND2 ASN B 93 3.412 7.849 10.208 1.00 20.22 N ATOM 0 H ASN B 93 1.469 5.438 6.229 1.00 50.42 H new ATOM 0 HA ASN B 93 2.047 8.339 6.430 1.00 52.21 H new ATOM 0 HB2 ASN B 93 1.141 7.519 8.575 1.00 31.01 H new ATOM 0 HB3 ASN B 93 2.278 6.185 8.562 1.00 31.01 H new ATOM 0 HD21 ASN B 93 4.098 8.408 10.715 1.00 20.22 H new ATOM 0 HD22 ASN B 93 2.911 7.100 10.685 1.00 20.22 H new