USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 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 74 CYS SG : rot -58:sc= 0.745 USER MOD Set 1.2: B 91 TYR OH : rot 28:sc= 0.157 USER MOD Set 2.1: A 412 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 59 THR OG1 : rot 4:sc= 0.405 USER MOD Set 3.1: B 53 THR OG1 : rot -17:sc= 0.855 USER MOD Set 3.2: B 56 THR OG1 : rot -176:sc= 2.05 USER MOD Single : A 407 MET CE :methyl 172:sc= -0.0424 (180deg=-0.248) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 ASN : amide:sc= 0.386 K(o=0.39,f=-6.6!) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0.204 K(o=0.2,f=-1.6!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00454) USER MOD Single : B 31 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0701) USER MOD Single : B 42 TYR OH : rot 30:sc= 0 USER MOD Single : B 47 GLN : amide:sc= 1.02 K(o=1,f=-7.3!) USER MOD Single : B 52 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 22:sc= 1.22 USER MOD Single : B 71 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.00936) USER MOD Single : B 72 ASN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot -31:sc= 0.733 USER MOD Single : B 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 CYS SG : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc=-0.00957 K(o=-0.0096,f=-0.98) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 7.375 0.935 -5.018 1.00 74.10 N ATOM 392 CA LEU A 404 6.194 0.623 -4.218 1.00 10.04 C ATOM 393 C LEU A 404 6.361 -0.708 -3.474 1.00 22.44 C ATOM 394 O LEU A 404 5.974 -0.780 -2.309 1.00 20.25 O ATOM 395 CB LEU A 404 4.944 0.617 -5.118 1.00 34.03 C ATOM 396 CG LEU A 404 3.616 0.380 -4.373 1.00 44.21 C ATOM 397 CD1 LEU A 404 3.340 1.469 -3.324 1.00 21.54 C ATOM 398 CD2 LEU A 404 2.455 0.313 -5.378 1.00 62.11 C ATOM 0 HA LEU A 404 6.069 1.395 -3.459 1.00 10.04 H new ATOM 0 HB2 LEU A 404 4.886 1.571 -5.642 1.00 34.03 H new ATOM 0 HB3 LEU A 404 5.063 -0.157 -5.876 1.00 34.03 H new ATOM 0 HG LEU A 404 3.701 -0.570 -3.845 1.00 44.21 H new ATOM 0 HD11 LEU A 404 2.394 1.261 -2.824 1.00 21.54 H new ATOM 0 HD12 LEU A 404 4.145 1.478 -2.589 1.00 21.54 H new ATOM 0 HD13 LEU A 404 3.285 2.441 -3.814 1.00 21.54 H new ATOM 0 HD21 LEU A 404 1.520 0.145 -4.843 1.00 62.11 H new ATOM 0 HD22 LEU A 404 2.395 1.252 -5.928 1.00 62.11 H new ATOM 0 HD23 LEU A 404 2.625 -0.506 -6.077 1.00 62.11 H new ATOM 409 N ASP A 405 6.946 -1.738 -4.104 1.00 64.14 N ATOM 410 CA ASP A 405 7.137 -3.039 -3.442 1.00 52.50 C ATOM 411 C ASP A 405 8.053 -2.883 -2.222 1.00 33.35 C ATOM 412 O ASP A 405 7.824 -3.490 -1.174 1.00 35.51 O ATOM 413 CB ASP A 405 7.669 -4.116 -4.409 1.00 64.10 C ATOM 414 CG ASP A 405 7.152 -5.521 -4.054 1.00 11.45 C ATOM 415 OD1 ASP A 405 7.232 -5.947 -2.880 1.00 53.12 O ATOM 416 OD2 ASP A 405 6.461 -6.140 -4.898 1.00 45.13 O ATOM 0 H ASP A 405 7.293 -1.697 -5.062 1.00 64.14 H new ATOM 0 HA ASP A 405 6.160 -3.384 -3.104 1.00 52.50 H new ATOM 0 HB2 ASP A 405 7.370 -3.867 -5.427 1.00 64.10 H new ATOM 0 HB3 ASP A 405 8.759 -4.115 -4.387 1.00 64.10 H new ATOM 420 N ALA A 406 9.078 -2.033 -2.347 1.00 43.52 N ATOM 421 CA ALA A 406 10.028 -1.753 -1.280 1.00 21.03 C ATOM 422 C ALA A 406 9.383 -0.898 -0.181 1.00 43.53 C ATOM 423 O ALA A 406 9.717 -1.048 0.997 1.00 52.03 O ATOM 424 CB ALA A 406 11.240 -1.032 -1.869 1.00 5.13 C ATOM 0 H ALA A 406 9.268 -1.517 -3.206 1.00 43.52 H new ATOM 0 HA ALA A 406 10.343 -2.694 -0.828 1.00 21.03 H new ATOM 0 HB1 ALA A 406 11.957 -0.818 -1.076 1.00 5.13 H new ATOM 0 HB2 ALA A 406 11.709 -1.665 -2.622 1.00 5.13 H new ATOM 0 HB3 ALA A 406 10.919 -0.098 -2.330 1.00 5.13 H new ATOM 430 N MET A 407 8.491 0.026 -0.558 1.00 72.52 N ATOM 431 CA MET A 407 7.797 0.893 0.384 1.00 11.22 C ATOM 432 C MET A 407 6.881 0.071 1.281 1.00 42.51 C ATOM 433 O MET A 407 6.787 0.372 2.472 1.00 64.00 O ATOM 434 CB MET A 407 6.914 1.923 -0.334 1.00 54.43 C ATOM 435 CG MET A 407 7.681 3.096 -0.937 1.00 1.33 C ATOM 436 SD MET A 407 6.711 4.135 -2.071 1.00 5.55 S ATOM 437 CE MET A 407 5.282 4.529 -1.025 1.00 23.41 C ATOM 0 H MET A 407 8.234 0.189 -1.531 1.00 72.52 H new ATOM 0 HA MET A 407 8.567 1.403 0.962 1.00 11.22 H new ATOM 0 HB2 MET A 407 6.361 1.420 -1.127 1.00 54.43 H new ATOM 0 HB3 MET A 407 6.179 2.309 0.372 1.00 54.43 H new ATOM 0 HG2 MET A 407 8.059 3.720 -0.127 1.00 1.33 H new ATOM 0 HG3 MET A 407 8.548 2.709 -1.472 1.00 1.33 H new ATOM 0 HE1 MET A 407 4.661 5.274 -1.523 1.00 23.41 H new ATOM 0 HE2 MET A 407 4.697 3.626 -0.853 1.00 23.41 H new ATOM 0 HE3 MET A 407 5.628 4.924 -0.070 1.00 23.41 H new ATOM 445 N PHE A 408 6.174 -0.911 0.721 1.00 42.31 N ATOM 446 CA PHE A 408 5.255 -1.746 1.474 1.00 11.22 C ATOM 447 C PHE A 408 5.958 -2.613 2.525 1.00 14.44 C ATOM 448 O PHE A 408 7.152 -2.901 2.406 1.00 44.24 O ATOM 449 CB PHE A 408 4.428 -2.599 0.509 1.00 30.31 C ATOM 450 CG PHE A 408 3.190 -1.898 -0.012 1.00 73.10 C ATOM 451 CD1 PHE A 408 2.217 -1.412 0.885 1.00 72.51 C ATOM 452 CD2 PHE A 408 2.978 -1.772 -1.393 1.00 33.14 C ATOM 453 CE1 PHE A 408 1.050 -0.805 0.408 1.00 40.40 C ATOM 454 CE2 PHE A 408 1.788 -1.199 -1.871 1.00 32.23 C ATOM 455 CZ PHE A 408 0.833 -0.699 -0.973 1.00 32.11 C ATOM 0 H PHE A 408 6.227 -1.145 -0.270 1.00 42.31 H new ATOM 0 HA PHE A 408 4.591 -1.086 2.032 1.00 11.22 H new ATOM 0 HB2 PHE A 408 5.054 -2.888 -0.335 1.00 30.31 H new ATOM 0 HB3 PHE A 408 4.130 -3.518 1.014 1.00 30.31 H new ATOM 0 HD1 PHE A 408 2.374 -1.509 1.949 1.00 72.51 H new ATOM 0 HD2 PHE A 408 3.730 -2.115 -2.088 1.00 33.14 H new ATOM 0 HE1 PHE A 408 0.318 -0.419 1.102 1.00 40.40 H new ATOM 0 HE2 PHE A 408 1.607 -1.143 -2.934 1.00 32.23 H new ATOM 0 HZ PHE A 408 -0.068 -0.233 -1.345 1.00 32.11 H new ATOM 464 N PRO A 409 5.227 -3.024 3.579 1.00 45.32 N ATOM 465 CA PRO A 409 5.785 -3.850 4.624 1.00 22.54 C ATOM 466 C PRO A 409 5.897 -5.290 4.125 1.00 52.44 C ATOM 467 O PRO A 409 5.226 -5.727 3.176 1.00 5.01 O ATOM 468 CB PRO A 409 4.824 -3.720 5.807 1.00 23.32 C ATOM 469 CG PRO A 409 3.476 -3.493 5.136 1.00 14.13 C ATOM 470 CD PRO A 409 3.818 -2.765 3.845 1.00 0.11 C ATOM 0 HA PRO A 409 6.789 -3.546 4.919 1.00 22.54 H new ATOM 0 HB2 PRO A 409 4.821 -4.619 6.424 1.00 23.32 H new ATOM 0 HB3 PRO A 409 5.096 -2.888 6.457 1.00 23.32 H new ATOM 0 HG2 PRO A 409 2.966 -4.436 4.938 1.00 14.13 H new ATOM 0 HG3 PRO A 409 2.814 -2.898 5.765 1.00 14.13 H new ATOM 0 HD2 PRO A 409 3.197 -3.122 3.023 1.00 0.11 H new ATOM 0 HD3 PRO A 409 3.633 -1.695 3.943 1.00 0.11 H new ATOM 475 N GLU A 410 6.754 -6.038 4.803 1.00 12.14 N ATOM 476 CA GLU A 410 7.020 -7.425 4.494 1.00 62.22 C ATOM 477 C GLU A 410 5.911 -8.327 5.056 1.00 51.23 C ATOM 478 O GLU A 410 5.176 -7.923 5.957 1.00 13.31 O ATOM 479 CB GLU A 410 8.394 -7.768 5.088 1.00 31.24 C ATOM 480 CG GLU A 410 9.172 -8.719 4.180 1.00 73.21 C ATOM 481 CD GLU A 410 9.597 -8.117 2.835 1.00 64.43 C ATOM 482 OE1 GLU A 410 9.732 -6.882 2.704 1.00 51.50 O ATOM 483 OE2 GLU A 410 9.849 -8.916 1.900 1.00 14.22 O ATOM 0 H GLU A 410 7.291 -5.687 5.596 1.00 12.14 H new ATOM 0 HA GLU A 410 7.033 -7.591 3.417 1.00 62.22 H new ATOM 0 HB2 GLU A 410 8.967 -6.853 5.235 1.00 31.24 H new ATOM 0 HB3 GLU A 410 8.264 -8.224 6.069 1.00 31.24 H new ATOM 0 HG2 GLU A 410 10.063 -9.057 4.709 1.00 73.21 H new ATOM 0 HG3 GLU A 410 8.560 -9.601 3.991 1.00 73.21 H new ATOM 488 N GLY A 411 5.801 -9.564 4.559 1.00 43.43 N ATOM 489 CA GLY A 411 4.798 -10.528 5.020 1.00 22.23 C ATOM 490 C GLY A 411 3.446 -10.395 4.313 1.00 41.13 C ATOM 491 O GLY A 411 2.455 -10.966 4.769 1.00 44.25 O ATOM 0 H GLY A 411 6.408 -9.925 3.823 1.00 43.43 H new ATOM 0 HA2 GLY A 411 5.180 -11.537 4.868 1.00 22.23 H new ATOM 0 HA3 GLY A 411 4.651 -10.401 6.093 1.00 22.23 H new ATOM 495 N TYR A 412 3.400 -9.728 3.158 1.00 0.52 N ATOM 496 CA TYR A 412 2.192 -9.493 2.364 1.00 40.05 C ATOM 497 C TYR A 412 2.426 -10.005 0.944 1.00 54.13 C ATOM 498 O TYR A 412 3.582 -10.168 0.531 1.00 35.12 O ATOM 499 CB TYR A 412 1.857 -7.993 2.332 1.00 32.40 C ATOM 500 CG TYR A 412 1.306 -7.387 3.613 1.00 31.14 C ATOM 501 CD1 TYR A 412 2.164 -7.098 4.689 1.00 43.01 C ATOM 502 CD2 TYR A 412 -0.057 -7.041 3.708 1.00 64.15 C ATOM 503 CE1 TYR A 412 1.668 -6.502 5.862 1.00 62.02 C ATOM 504 CE2 TYR A 412 -0.568 -6.467 4.886 1.00 61.13 C ATOM 505 CZ TYR A 412 0.296 -6.186 5.966 1.00 64.41 C ATOM 506 OH TYR A 412 -0.191 -5.563 7.070 1.00 0.02 O ATOM 0 H TYR A 412 4.234 -9.322 2.734 1.00 0.52 H new ATOM 0 HA TYR A 412 1.353 -10.023 2.815 1.00 40.05 H new ATOM 0 HB2 TYR A 412 2.761 -7.449 2.060 1.00 32.40 H new ATOM 0 HB3 TYR A 412 1.131 -7.824 1.536 1.00 32.40 H new ATOM 0 HD1 TYR A 412 3.215 -7.336 4.614 1.00 43.01 H new ATOM 0 HD2 TYR A 412 -0.714 -7.218 2.870 1.00 64.15 H new ATOM 0 HE1 TYR A 412 2.336 -6.286 6.683 1.00 62.02 H new ATOM 0 HE2 TYR A 412 -1.621 -6.241 4.964 1.00 61.13 H new ATOM 0 HH TYR A 412 -1.156 -5.423 6.968 1.00 0.02 H new ATOM 515 N LYS A 413 1.349 -10.304 0.212 1.00 63.11 N ATOM 516 CA LYS A 413 1.370 -10.817 -1.157 1.00 53.35 C ATOM 517 C LYS A 413 0.483 -9.938 -2.040 1.00 1.00 C ATOM 518 O LYS A 413 -0.574 -9.486 -1.583 1.00 3.00 O ATOM 519 CB LYS A 413 0.857 -12.272 -1.137 1.00 23.52 C ATOM 520 CG LYS A 413 1.278 -13.102 -2.359 1.00 11.33 C ATOM 521 CD LYS A 413 2.720 -13.605 -2.202 1.00 23.11 C ATOM 522 CE LYS A 413 3.286 -14.181 -3.503 1.00 4.25 C ATOM 523 NZ LYS A 413 2.690 -15.476 -3.887 1.00 4.14 N ATOM 0 H LYS A 413 0.402 -10.190 0.573 1.00 63.11 H new ATOM 0 HA LYS A 413 2.381 -10.798 -1.563 1.00 53.35 H new ATOM 0 HB2 LYS A 413 1.222 -12.762 -0.235 1.00 23.52 H new ATOM 0 HB3 LYS A 413 -0.231 -12.261 -1.076 1.00 23.52 H new ATOM 0 HG2 LYS A 413 0.603 -13.949 -2.479 1.00 11.33 H new ATOM 0 HG3 LYS A 413 1.195 -12.497 -3.262 1.00 11.33 H new ATOM 0 HD2 LYS A 413 3.353 -12.784 -1.867 1.00 23.11 H new ATOM 0 HD3 LYS A 413 2.752 -14.370 -1.426 1.00 23.11 H new ATOM 0 HE2 LYS A 413 3.125 -13.464 -4.308 1.00 4.25 H new ATOM 0 HE3 LYS A 413 4.364 -14.304 -3.397 1.00 4.25 H new ATOM 0 HZ1 LYS A 413 3.119 -15.806 -4.775 1.00 4.14 H new ATOM 0 HZ2 LYS A 413 2.865 -16.175 -3.137 1.00 4.14 H new ATOM 0 HZ3 LYS A 413 1.665 -15.361 -4.020 1.00 4.14 H new ATOM 533 N VAL A 414 0.876 -9.719 -3.295 1.00 61.13 N ATOM 534 CA VAL A 414 0.106 -8.909 -4.236 1.00 25.12 C ATOM 535 C VAL A 414 -1.155 -9.680 -4.628 1.00 3.34 C ATOM 536 O VAL A 414 -1.124 -10.900 -4.829 1.00 42.22 O ATOM 537 CB VAL A 414 0.962 -8.529 -5.468 1.00 55.31 C ATOM 538 CG1 VAL A 414 0.177 -7.675 -6.480 1.00 33.24 C ATOM 539 CG2 VAL A 414 2.195 -7.710 -5.069 1.00 31.10 C ATOM 0 H VAL A 414 1.738 -10.099 -3.687 1.00 61.13 H new ATOM 0 HA VAL A 414 -0.189 -7.971 -3.765 1.00 25.12 H new ATOM 0 HB VAL A 414 1.253 -9.478 -5.917 1.00 55.31 H new ATOM 0 HG11 VAL A 414 0.819 -7.433 -7.327 1.00 33.24 H new ATOM 0 HG12 VAL A 414 -0.692 -8.233 -6.830 1.00 33.24 H new ATOM 0 HG13 VAL A 414 -0.153 -6.754 -6.000 1.00 33.24 H new ATOM 0 HG21 VAL A 414 2.771 -7.462 -5.960 1.00 31.10 H new ATOM 0 HG22 VAL A 414 1.878 -6.792 -4.575 1.00 31.10 H new ATOM 0 HG23 VAL A 414 2.814 -8.293 -4.387 1.00 31.10 H new ATOM 549 N LEU A 415 -2.270 -8.958 -4.757 1.00 64.05 N ATOM 550 CA LEU A 415 -3.571 -9.488 -5.141 1.00 2.44 C ATOM 551 C LEU A 415 -3.964 -8.831 -6.470 1.00 1.50 C ATOM 552 O LEU A 415 -4.647 -7.806 -6.445 1.00 54.12 O ATOM 553 CB LEU A 415 -4.606 -9.230 -4.029 1.00 34.04 C ATOM 554 CG LEU A 415 -6.020 -9.737 -4.393 1.00 71.01 C ATOM 555 CD1 LEU A 415 -6.117 -11.265 -4.344 1.00 2.23 C ATOM 556 CD2 LEU A 415 -7.040 -9.147 -3.426 1.00 20.31 C ATOM 0 H LEU A 415 -2.288 -7.952 -4.590 1.00 64.05 H new ATOM 0 HA LEU A 415 -3.532 -10.569 -5.275 1.00 2.44 H new ATOM 0 HB2 LEU A 415 -4.276 -9.718 -3.112 1.00 34.04 H new ATOM 0 HB3 LEU A 415 -4.651 -8.161 -3.823 1.00 34.04 H new ATOM 0 HG LEU A 415 -6.227 -9.417 -5.414 1.00 71.01 H new ATOM 0 HD11 LEU A 415 -7.129 -11.574 -4.607 1.00 2.23 H new ATOM 0 HD12 LEU A 415 -5.410 -11.697 -5.052 1.00 2.23 H new ATOM 0 HD13 LEU A 415 -5.882 -11.612 -3.338 1.00 2.23 H new ATOM 0 HD21 LEU A 415 -8.036 -9.506 -3.684 1.00 20.31 H new ATOM 0 HD22 LEU A 415 -6.797 -9.453 -2.409 1.00 20.31 H new ATOM 0 HD23 LEU A 415 -7.018 -8.059 -3.492 1.00 20.31 H new ATOM 567 N PRO A 416 -3.505 -9.350 -7.623 1.00 44.14 N ATOM 568 CA PRO A 416 -3.857 -8.788 -8.923 1.00 51.43 C ATOM 569 C PRO A 416 -5.362 -8.997 -9.200 1.00 45.20 C ATOM 570 O PRO A 416 -5.990 -9.796 -8.497 1.00 32.33 O ATOM 571 CB PRO A 416 -2.965 -9.525 -9.933 1.00 23.13 C ATOM 572 CG PRO A 416 -2.730 -10.881 -9.273 1.00 74.42 C ATOM 573 CD PRO A 416 -2.685 -10.539 -7.786 1.00 70.42 C ATOM 0 HA PRO A 416 -3.693 -7.712 -8.981 1.00 51.43 H new ATOM 0 HB2 PRO A 416 -3.455 -9.629 -10.901 1.00 23.13 H new ATOM 0 HB3 PRO A 416 -2.029 -8.994 -10.105 1.00 23.13 H new ATOM 0 HG2 PRO A 416 -3.531 -11.584 -9.501 1.00 74.42 H new ATOM 0 HG3 PRO A 416 -1.799 -11.338 -9.610 1.00 74.42 H new ATOM 0 HD2 PRO A 416 -3.069 -11.363 -7.184 1.00 70.42 H new ATOM 0 HD3 PRO A 416 -1.662 -10.355 -7.459 1.00 70.42 H new ATOM 578 N PRO A 417 -5.940 -8.309 -10.204 1.00 32.12 N ATOM 579 CA PRO A 417 -7.355 -8.431 -10.561 1.00 64.34 C ATOM 580 C PRO A 417 -7.767 -9.865 -10.952 1.00 34.43 C ATOM 581 O PRO A 417 -6.904 -10.743 -11.090 1.00 54.20 O ATOM 582 CB PRO A 417 -7.563 -7.492 -11.762 1.00 50.25 C ATOM 583 CG PRO A 417 -6.376 -6.540 -11.743 1.00 45.30 C ATOM 584 CD PRO A 417 -5.273 -7.351 -11.075 1.00 31.23 C ATOM 0 HA PRO A 417 -7.970 -8.173 -9.699 1.00 64.34 H new ATOM 0 HB2 PRO A 417 -7.602 -8.052 -12.696 1.00 50.25 H new ATOM 0 HB3 PRO A 417 -8.504 -6.948 -11.677 1.00 50.25 H new ATOM 0 HG2 PRO A 417 -6.093 -6.233 -12.750 1.00 45.30 H new ATOM 0 HG3 PRO A 417 -6.600 -5.632 -11.183 1.00 45.30 H new ATOM 0 HD2 PRO A 417 -4.661 -7.862 -11.819 1.00 31.23 H new ATOM 0 HD3 PRO A 417 -4.607 -6.705 -10.504 1.00 31.23 H new ATOM 589 N PRO A 418 -9.076 -10.129 -11.137 1.00 63.42 N ATOM 590 CA PRO A 418 -9.588 -11.435 -11.544 1.00 13.44 C ATOM 591 C PRO A 418 -8.881 -11.912 -12.822 1.00 34.11 C ATOM 592 O PRO A 418 -8.926 -11.238 -13.852 1.00 14.31 O ATOM 593 CB PRO A 418 -11.095 -11.250 -11.747 1.00 54.32 C ATOM 594 CG PRO A 418 -11.427 -10.055 -10.855 1.00 53.34 C ATOM 595 CD PRO A 418 -10.180 -9.190 -10.987 1.00 52.33 C ATOM 0 HA PRO A 418 -9.399 -12.204 -10.795 1.00 13.44 H new ATOM 0 HB2 PRO A 418 -11.339 -11.053 -12.791 1.00 54.32 H new ATOM 0 HB3 PRO A 418 -11.653 -12.139 -11.452 1.00 54.32 H new ATOM 0 HG2 PRO A 418 -12.322 -9.532 -11.193 1.00 53.34 H new ATOM 0 HG3 PRO A 418 -11.605 -10.356 -9.823 1.00 53.34 H new ATOM 0 HD2 PRO A 418 -10.251 -8.526 -11.848 1.00 52.33 H new ATOM 0 HD3 PRO A 418 -10.044 -8.559 -10.108 1.00 52.33 H new ATOM 826 N VAL B 17 -2.700 12.612 3.605 1.00 52.01 N ATOM 827 CA VAL B 17 -3.425 11.702 2.741 1.00 44.14 C ATOM 828 C VAL B 17 -2.511 11.245 1.600 1.00 44.15 C ATOM 829 O VAL B 17 -1.806 12.052 0.993 1.00 62.12 O ATOM 830 CB VAL B 17 -4.702 12.395 2.223 1.00 71.14 C ATOM 831 CG1 VAL B 17 -5.623 11.374 1.546 1.00 33.14 C ATOM 832 CG2 VAL B 17 -5.491 13.120 3.328 1.00 63.23 C ATOM 0 HA VAL B 17 -3.732 10.814 3.294 1.00 44.14 H new ATOM 0 HB VAL B 17 -4.368 13.147 1.508 1.00 71.14 H new ATOM 0 HG11 VAL B 17 -6.520 11.877 1.185 1.00 33.14 H new ATOM 0 HG12 VAL B 17 -5.102 10.915 0.706 1.00 33.14 H new ATOM 0 HG13 VAL B 17 -5.903 10.604 2.265 1.00 33.14 H new ATOM 0 HG21 VAL B 17 -6.377 13.586 2.897 1.00 63.23 H new ATOM 0 HG22 VAL B 17 -5.793 12.402 4.090 1.00 63.23 H new ATOM 0 HG23 VAL B 17 -4.862 13.887 3.781 1.00 63.23 H new ATOM 842 N ASN B 18 -2.498 9.941 1.321 1.00 23.52 N ATOM 843 CA ASN B 18 -1.725 9.320 0.249 1.00 53.31 C ATOM 844 C ASN B 18 -2.623 8.239 -0.356 1.00 55.40 C ATOM 845 O ASN B 18 -3.565 7.765 0.292 1.00 63.41 O ATOM 846 CB ASN B 18 -0.383 8.756 0.754 1.00 64.01 C ATOM 847 CG ASN B 18 0.572 8.332 -0.372 1.00 72.44 C ATOM 848 OD1 ASN B 18 0.301 8.466 -1.568 1.00 4.14 O ATOM 849 ND2 ASN B 18 1.722 7.788 -0.035 1.00 11.14 N ATOM 0 H ASN B 18 -3.045 9.266 1.855 1.00 23.52 H new ATOM 0 HA ASN B 18 -1.447 10.054 -0.507 1.00 53.31 H new ATOM 0 HB2 ASN B 18 0.108 9.509 1.371 1.00 64.01 H new ATOM 0 HB3 ASN B 18 -0.579 7.897 1.395 1.00 64.01 H new ATOM 0 HD21 ASN B 18 2.374 7.484 -0.758 1.00 11.14 H new ATOM 0 HD22 ASN B 18 1.961 7.670 0.949 1.00 11.14 H new ATOM 855 N ARG B 19 -2.319 7.838 -1.591 1.00 61.42 N ATOM 856 CA ARG B 19 -3.043 6.849 -2.390 1.00 61.42 C ATOM 857 C ARG B 19 -3.160 5.514 -1.671 1.00 72.50 C ATOM 858 O ARG B 19 -4.115 4.782 -1.909 1.00 61.53 O ATOM 859 CB ARG B 19 -2.286 6.634 -3.712 1.00 14.43 C ATOM 860 CG ARG B 19 -2.217 7.886 -4.607 1.00 52.32 C ATOM 861 CD ARG B 19 -0.981 7.840 -5.507 1.00 55.42 C ATOM 862 NE ARG B 19 0.264 8.077 -4.750 1.00 73.34 N ATOM 863 CZ ARG B 19 1.393 8.590 -5.252 1.00 31.12 C ATOM 864 NH1 ARG B 19 1.506 8.918 -6.533 1.00 21.34 N ATOM 865 NH2 ARG B 19 2.424 8.788 -4.450 1.00 40.23 N ATOM 0 H ARG B 19 -1.514 8.217 -2.089 1.00 61.42 H new ATOM 0 HA ARG B 19 -4.050 7.227 -2.567 1.00 61.42 H new ATOM 0 HB2 ARG B 19 -1.272 6.304 -3.488 1.00 14.43 H new ATOM 0 HB3 ARG B 19 -2.768 5.829 -4.268 1.00 14.43 H new ATOM 0 HG2 ARG B 19 -3.116 7.951 -5.219 1.00 52.32 H new ATOM 0 HG3 ARG B 19 -2.188 8.782 -3.986 1.00 52.32 H new ATOM 0 HD2 ARG B 19 -0.927 6.869 -5.999 1.00 55.42 H new ATOM 0 HD3 ARG B 19 -1.076 8.590 -6.292 1.00 55.42 H new ATOM 0 HE ARG B 19 0.263 7.829 -3.761 1.00 73.34 H new ATOM 0 HH11 ARG B 19 0.718 8.781 -7.166 1.00 21.34 H new ATOM 0 HH12 ARG B 19 2.381 9.307 -6.885 1.00 21.34 H new ATOM 0 HH21 ARG B 19 2.353 8.550 -3.461 1.00 40.23 H new ATOM 0 HH22 ARG B 19 3.291 9.178 -4.820 1.00 40.23 H new ATOM 876 N ILE B 20 -2.160 5.169 -0.861 1.00 44.13 N ATOM 877 CA ILE B 20 -2.104 3.937 -0.097 1.00 71.22 C ATOM 878 C ILE B 20 -3.074 4.087 1.083 1.00 41.02 C ATOM 879 O ILE B 20 -2.960 5.007 1.899 1.00 22.03 O ATOM 880 CB ILE B 20 -0.645 3.624 0.318 1.00 23.45 C ATOM 881 CG1 ILE B 20 0.321 3.637 -0.896 1.00 30.42 C ATOM 882 CG2 ILE B 20 -0.604 2.258 1.029 1.00 42.55 C ATOM 883 CD1 ILE B 20 1.798 3.443 -0.540 1.00 21.24 C ATOM 0 H ILE B 20 -1.343 5.763 -0.718 1.00 44.13 H new ATOM 0 HA ILE B 20 -2.418 3.076 -0.687 1.00 71.22 H new ATOM 0 HB ILE B 20 -0.307 4.405 0.998 1.00 23.45 H new ATOM 0 HG12 ILE B 20 0.022 2.851 -1.589 1.00 30.42 H new ATOM 0 HG13 ILE B 20 0.209 4.585 -1.422 1.00 30.42 H new ATOM 0 HG21 ILE B 20 0.421 2.032 1.324 1.00 42.55 H new ATOM 0 HG22 ILE B 20 -1.238 2.290 1.915 1.00 42.55 H new ATOM 0 HG23 ILE B 20 -0.966 1.484 0.352 1.00 42.55 H new ATOM 0 HD11 ILE B 20 2.398 3.466 -1.450 1.00 21.24 H new ATOM 0 HD12 ILE B 20 2.120 4.243 0.127 1.00 21.24 H new ATOM 0 HD13 ILE B 20 1.929 2.482 -0.043 1.00 21.24 H new ATOM 894 N LEU B 21 -4.020 3.156 1.183 1.00 13.42 N ATOM 895 CA LEU B 21 -5.065 3.081 2.195 1.00 25.42 C ATOM 896 C LEU B 21 -4.909 1.762 2.944 1.00 11.00 C ATOM 897 O LEU B 21 -4.825 0.710 2.311 1.00 44.15 O ATOM 898 CB LEU B 21 -6.426 3.130 1.485 1.00 61.34 C ATOM 899 CG LEU B 21 -6.795 4.501 0.888 1.00 74.15 C ATOM 900 CD1 LEU B 21 -8.157 4.361 0.211 1.00 11.15 C ATOM 901 CD2 LEU B 21 -6.863 5.615 1.938 1.00 44.33 C ATOM 0 H LEU B 21 -4.079 2.386 0.516 1.00 13.42 H new ATOM 0 HA LEU B 21 -4.995 3.909 2.900 1.00 25.42 H new ATOM 0 HB2 LEU B 21 -6.430 2.389 0.686 1.00 61.34 H new ATOM 0 HB3 LEU B 21 -7.201 2.838 2.194 1.00 61.34 H new ATOM 0 HG LEU B 21 -6.015 4.787 0.183 1.00 74.15 H new ATOM 0 HD11 LEU B 21 -8.448 5.318 -0.223 1.00 11.15 H new ATOM 0 HD12 LEU B 21 -8.097 3.609 -0.576 1.00 11.15 H new ATOM 0 HD13 LEU B 21 -8.900 4.056 0.948 1.00 11.15 H new ATOM 0 HD21 LEU B 21 -7.127 6.555 1.454 1.00 44.33 H new ATOM 0 HD22 LEU B 21 -7.618 5.366 2.684 1.00 44.33 H new ATOM 0 HD23 LEU B 21 -5.892 5.717 2.424 1.00 44.33 H new ATOM 912 N TYR B 22 -4.825 1.809 4.274 1.00 62.44 N ATOM 913 CA TYR B 22 -4.684 0.649 5.151 1.00 4.33 C ATOM 914 C TYR B 22 -6.068 0.245 5.666 1.00 62.13 C ATOM 915 O TYR B 22 -6.839 1.114 6.083 1.00 2.51 O ATOM 916 CB TYR B 22 -3.766 1.038 6.314 1.00 13.24 C ATOM 917 CG TYR B 22 -3.677 0.003 7.417 1.00 54.23 C ATOM 918 CD1 TYR B 22 -3.130 -1.271 7.174 1.00 62.44 C ATOM 919 CD2 TYR B 22 -4.151 0.328 8.699 1.00 30.40 C ATOM 920 CE1 TYR B 22 -3.027 -2.204 8.221 1.00 2.33 C ATOM 921 CE2 TYR B 22 -4.057 -0.598 9.746 1.00 74.42 C ATOM 922 CZ TYR B 22 -3.487 -1.867 9.515 1.00 41.21 C ATOM 923 OH TYR B 22 -3.374 -2.754 10.539 1.00 62.04 O ATOM 0 H TYR B 22 -4.855 2.690 4.788 1.00 62.44 H new ATOM 0 HA TYR B 22 -4.251 -0.197 4.617 1.00 4.33 H new ATOM 0 HB2 TYR B 22 -2.765 1.222 5.924 1.00 13.24 H new ATOM 0 HB3 TYR B 22 -4.119 1.976 6.741 1.00 13.24 H new ATOM 0 HD1 TYR B 22 -2.789 -1.532 6.183 1.00 62.44 H new ATOM 0 HD2 TYR B 22 -4.591 1.298 8.878 1.00 30.40 H new ATOM 0 HE1 TYR B 22 -2.597 -3.177 8.037 1.00 2.33 H new ATOM 0 HE2 TYR B 22 -4.421 -0.340 10.730 1.00 74.42 H new ATOM 0 HH TYR B 22 -3.740 -2.357 11.357 1.00 62.04 H new ATOM 932 N ILE B 23 -6.404 -1.047 5.648 1.00 61.31 N ATOM 933 CA ILE B 23 -7.701 -1.560 6.098 1.00 51.01 C ATOM 934 C ILE B 23 -7.474 -2.622 7.181 1.00 62.22 C ATOM 935 O ILE B 23 -6.428 -3.277 7.240 1.00 75.31 O ATOM 936 CB ILE B 23 -8.526 -2.119 4.910 1.00 12.00 C ATOM 937 CG1 ILE B 23 -8.447 -1.296 3.599 1.00 13.33 C ATOM 938 CG2 ILE B 23 -10.006 -2.316 5.309 1.00 61.42 C ATOM 939 CD1 ILE B 23 -9.104 0.089 3.649 1.00 22.02 C ATOM 0 H ILE B 23 -5.774 -1.777 5.316 1.00 61.31 H new ATOM 0 HA ILE B 23 -8.283 -0.743 6.525 1.00 51.01 H new ATOM 0 HB ILE B 23 -8.056 -3.077 4.686 1.00 12.00 H new ATOM 0 HG12 ILE B 23 -7.398 -1.172 3.331 1.00 13.33 H new ATOM 0 HG13 ILE B 23 -8.914 -1.872 2.800 1.00 13.33 H new ATOM 0 HG21 ILE B 23 -10.563 -2.709 4.458 1.00 61.42 H new ATOM 0 HG22 ILE B 23 -10.068 -3.019 6.140 1.00 61.42 H new ATOM 0 HG23 ILE B 23 -10.432 -1.359 5.611 1.00 61.42 H new ATOM 0 HD11 ILE B 23 -8.992 0.580 2.682 1.00 22.02 H new ATOM 0 HD12 ILE B 23 -10.164 -0.019 3.881 1.00 22.02 H new ATOM 0 HD13 ILE B 23 -8.624 0.692 4.420 1.00 22.02 H new ATOM 950 N ARG B 24 -8.483 -2.799 8.033 1.00 1.42 N ATOM 951 CA ARG B 24 -8.525 -3.727 9.159 1.00 75.10 C ATOM 952 C ARG B 24 -9.866 -4.445 9.159 1.00 51.42 C ATOM 953 O ARG B 24 -10.815 -3.973 8.535 1.00 14.40 O ATOM 954 CB ARG B 24 -8.382 -2.958 10.483 1.00 60.42 C ATOM 955 CG ARG B 24 -7.023 -2.284 10.734 1.00 1.43 C ATOM 956 CD ARG B 24 -7.082 -1.327 11.942 1.00 42.33 C ATOM 957 NE ARG B 24 -7.652 -1.954 13.154 1.00 50.31 N ATOM 958 CZ ARG B 24 -7.059 -2.843 13.960 1.00 13.13 C ATOM 959 NH1 ARG B 24 -5.787 -3.189 13.790 1.00 14.33 N ATOM 960 NH2 ARG B 24 -7.767 -3.401 14.930 1.00 10.12 N ATOM 0 H ARG B 24 -9.347 -2.263 7.949 1.00 1.42 H new ATOM 0 HA ARG B 24 -7.707 -4.441 9.063 1.00 75.10 H new ATOM 0 HB2 ARG B 24 -9.156 -2.192 10.519 1.00 60.42 H new ATOM 0 HB3 ARG B 24 -8.578 -3.649 11.303 1.00 60.42 H new ATOM 0 HG2 ARG B 24 -6.264 -3.047 10.909 1.00 1.43 H new ATOM 0 HG3 ARG B 24 -6.720 -1.731 9.845 1.00 1.43 H new ATOM 0 HD2 ARG B 24 -6.076 -0.970 12.164 1.00 42.33 H new ATOM 0 HD3 ARG B 24 -7.679 -0.454 11.677 1.00 42.33 H new ATOM 0 HE ARG B 24 -8.602 -1.679 13.403 1.00 50.31 H new ATOM 0 HH11 ARG B 24 -5.243 -2.775 13.033 1.00 14.33 H new ATOM 0 HH12 ARG B 24 -5.355 -3.869 14.416 1.00 14.33 H new ATOM 0 HH21 ARG B 24 -8.748 -3.151 15.054 1.00 10.12 H new ATOM 0 HH22 ARG B 24 -7.331 -4.080 15.553 1.00 10.12 H new ATOM 971 N ASN B 25 -9.951 -5.555 9.897 1.00 53.12 N ATOM 972 CA ASN B 25 -11.143 -6.391 10.051 1.00 3.45 C ATOM 973 C ASN B 25 -11.560 -7.103 8.764 1.00 32.43 C ATOM 974 O ASN B 25 -12.692 -7.582 8.655 1.00 2.54 O ATOM 975 CB ASN B 25 -12.298 -5.619 10.739 1.00 42.12 C ATOM 976 CG ASN B 25 -12.286 -5.724 12.253 1.00 51.21 C ATOM 977 OD1 ASN B 25 -11.839 -6.717 12.824 1.00 23.22 O ATOM 978 ND2 ASN B 25 -12.807 -4.724 12.938 1.00 5.23 N ATOM 0 H ASN B 25 -9.155 -5.911 10.427 1.00 53.12 H new ATOM 0 HA ASN B 25 -10.870 -7.201 10.727 1.00 3.45 H new ATOM 0 HB2 ASN B 25 -12.240 -4.568 10.456 1.00 42.12 H new ATOM 0 HB3 ASN B 25 -13.249 -5.997 10.365 1.00 42.12 H new ATOM 0 HD21 ASN B 25 -12.843 -4.768 13.956 1.00 5.23 H new ATOM 0 HD22 ASN B 25 -13.174 -3.907 12.449 1.00 5.23 H new ATOM 984 N LEU B 26 -10.686 -7.166 7.760 1.00 61.11 N ATOM 985 CA LEU B 26 -11.008 -7.858 6.518 1.00 61.25 C ATOM 986 C LEU B 26 -11.001 -9.361 6.811 1.00 25.24 C ATOM 987 O LEU B 26 -10.284 -9.800 7.719 1.00 2.22 O ATOM 988 CB LEU B 26 -9.967 -7.533 5.435 1.00 74.02 C ATOM 989 CG LEU B 26 -10.031 -6.075 4.954 1.00 40.43 C ATOM 990 CD1 LEU B 26 -8.846 -5.819 4.028 1.00 4.42 C ATOM 991 CD2 LEU B 26 -11.317 -5.745 4.195 1.00 40.41 C ATOM 0 H LEU B 26 -9.756 -6.748 7.784 1.00 61.11 H new ATOM 0 HA LEU B 26 -11.984 -7.539 6.152 1.00 61.25 H new ATOM 0 HB2 LEU B 26 -8.970 -7.737 5.825 1.00 74.02 H new ATOM 0 HB3 LEU B 26 -10.118 -8.197 4.584 1.00 74.02 H new ATOM 0 HG LEU B 26 -10.006 -5.441 5.840 1.00 40.43 H new ATOM 0 HD11 LEU B 26 -8.875 -4.788 3.676 1.00 4.42 H new ATOM 0 HD12 LEU B 26 -7.916 -5.991 4.571 1.00 4.42 H new ATOM 0 HD13 LEU B 26 -8.899 -6.495 3.174 1.00 4.42 H new ATOM 0 HD21 LEU B 26 -11.298 -4.701 3.884 1.00 40.41 H new ATOM 0 HD22 LEU B 26 -11.395 -6.384 3.316 1.00 40.41 H new ATOM 0 HD23 LEU B 26 -12.176 -5.914 4.844 1.00 40.41 H new ATOM 1002 N PRO B 27 -11.767 -10.179 6.079 1.00 10.52 N ATOM 1003 CA PRO B 27 -11.786 -11.613 6.310 1.00 33.51 C ATOM 1004 C PRO B 27 -10.431 -12.237 5.967 1.00 44.22 C ATOM 1005 O PRO B 27 -9.625 -11.672 5.218 1.00 14.11 O ATOM 1006 CB PRO B 27 -12.907 -12.151 5.429 1.00 51.12 C ATOM 1007 CG PRO B 27 -13.002 -11.128 4.299 1.00 1.13 C ATOM 1008 CD PRO B 27 -12.660 -9.813 4.990 1.00 22.21 C ATOM 0 HA PRO B 27 -11.963 -11.860 7.357 1.00 33.51 H new ATOM 0 HB2 PRO B 27 -12.676 -13.146 5.050 1.00 51.12 H new ATOM 0 HB3 PRO B 27 -13.845 -12.229 5.978 1.00 51.12 H new ATOM 0 HG2 PRO B 27 -12.304 -11.353 3.493 1.00 1.13 H new ATOM 0 HG3 PRO B 27 -13.999 -11.105 3.860 1.00 1.13 H new ATOM 0 HD2 PRO B 27 -12.178 -9.119 4.301 1.00 22.21 H new ATOM 0 HD3 PRO B 27 -13.557 -9.319 5.364 1.00 22.21 H new ATOM 1013 N TYR B 28 -10.180 -13.428 6.505 1.00 14.41 N ATOM 1014 CA TYR B 28 -8.944 -14.167 6.299 1.00 1.40 C ATOM 1015 C TYR B 28 -8.902 -14.872 4.939 1.00 31.32 C ATOM 1016 O TYR B 28 -7.810 -15.218 4.483 1.00 65.11 O ATOM 1017 CB TYR B 28 -8.762 -15.153 7.460 1.00 42.00 C ATOM 1018 CG TYR B 28 -8.703 -14.470 8.817 1.00 25.25 C ATOM 1019 CD1 TYR B 28 -7.655 -13.573 9.097 1.00 33.01 C ATOM 1020 CD2 TYR B 28 -9.703 -14.690 9.783 1.00 14.32 C ATOM 1021 CE1 TYR B 28 -7.608 -12.888 10.322 1.00 71.23 C ATOM 1022 CE2 TYR B 28 -9.667 -13.999 11.009 1.00 44.35 C ATOM 1023 CZ TYR B 28 -8.626 -13.083 11.280 1.00 44.33 C ATOM 1024 OH TYR B 28 -8.594 -12.414 12.463 1.00 32.11 O ATOM 0 H TYR B 28 -10.845 -13.913 7.107 1.00 14.41 H new ATOM 0 HA TYR B 28 -8.112 -13.463 6.286 1.00 1.40 H new ATOM 0 HB2 TYR B 28 -9.585 -15.868 7.455 1.00 42.00 H new ATOM 0 HB3 TYR B 28 -7.845 -15.722 7.306 1.00 42.00 H new ATOM 0 HD1 TYR B 28 -6.880 -13.410 8.363 1.00 33.01 H new ATOM 0 HD2 TYR B 28 -10.500 -15.391 9.583 1.00 14.32 H new ATOM 0 HE1 TYR B 28 -6.792 -12.212 10.531 1.00 71.23 H new ATOM 0 HE2 TYR B 28 -10.438 -14.170 11.745 1.00 44.35 H new ATOM 0 HH TYR B 28 -9.372 -12.667 13.003 1.00 32.11 H new ATOM 1033 N LYS B 29 -10.051 -15.119 4.297 1.00 12.01 N ATOM 1034 CA LYS B 29 -10.161 -15.764 2.990 1.00 22.42 C ATOM 1035 C LYS B 29 -11.079 -14.902 2.127 1.00 10.13 C ATOM 1036 O LYS B 29 -12.226 -14.674 2.517 1.00 70.41 O ATOM 1037 CB LYS B 29 -10.671 -17.196 3.197 1.00 31.53 C ATOM 1038 CG LYS B 29 -10.587 -18.113 1.971 1.00 44.32 C ATOM 1039 CD LYS B 29 -11.551 -17.741 0.833 1.00 73.32 C ATOM 1040 CE LYS B 29 -11.908 -18.985 0.017 1.00 4.11 C ATOM 1041 NZ LYS B 29 -12.945 -19.790 0.684 1.00 23.41 N ATOM 0 H LYS B 29 -10.958 -14.865 4.689 1.00 12.01 H new ATOM 0 HA LYS B 29 -9.205 -15.845 2.473 1.00 22.42 H new ATOM 0 HB2 LYS B 29 -10.103 -17.651 4.008 1.00 31.53 H new ATOM 0 HB3 LYS B 29 -11.710 -17.149 3.523 1.00 31.53 H new ATOM 0 HG2 LYS B 29 -9.567 -18.094 1.587 1.00 44.32 H new ATOM 0 HG3 LYS B 29 -10.791 -19.137 2.284 1.00 44.32 H new ATOM 0 HD2 LYS B 29 -12.456 -17.295 1.244 1.00 73.32 H new ATOM 0 HD3 LYS B 29 -11.092 -16.993 0.187 1.00 73.32 H new ATOM 0 HE2 LYS B 29 -12.258 -18.685 -0.971 1.00 4.11 H new ATOM 0 HE3 LYS B 29 -11.015 -19.592 -0.132 1.00 4.11 H new ATOM 0 HZ1 LYS B 29 -12.915 -20.764 0.321 1.00 23.41 H new ATOM 0 HZ2 LYS B 29 -12.773 -19.797 1.710 1.00 23.41 H new ATOM 0 HZ3 LYS B 29 -13.881 -19.378 0.493 1.00 23.41 H new ATOM 1051 N ILE B 30 -10.599 -14.407 0.987 1.00 33.43 N ATOM 1052 CA ILE B 30 -11.351 -13.563 0.060 1.00 25.01 C ATOM 1053 C ILE B 30 -10.681 -13.654 -1.326 1.00 4.34 C ATOM 1054 O ILE B 30 -9.535 -14.110 -1.427 1.00 75.13 O ATOM 1055 CB ILE B 30 -11.471 -12.140 0.671 1.00 2.02 C ATOM 1056 CG1 ILE B 30 -12.147 -11.122 -0.267 1.00 4.54 C ATOM 1057 CG2 ILE B 30 -10.128 -11.595 1.192 1.00 32.11 C ATOM 1058 CD1 ILE B 30 -12.773 -9.934 0.478 1.00 34.33 C ATOM 0 H ILE B 30 -9.646 -14.588 0.673 1.00 33.43 H new ATOM 0 HA ILE B 30 -12.379 -13.893 -0.092 1.00 25.01 H new ATOM 0 HB ILE B 30 -12.131 -12.267 1.529 1.00 2.02 H new ATOM 0 HG12 ILE B 30 -11.410 -10.749 -0.978 1.00 4.54 H new ATOM 0 HG13 ILE B 30 -12.920 -11.628 -0.845 1.00 4.54 H new ATOM 0 HG21 ILE B 30 -10.276 -10.598 1.607 1.00 32.11 H new ATOM 0 HG22 ILE B 30 -9.743 -12.257 1.968 1.00 32.11 H new ATOM 0 HG23 ILE B 30 -9.413 -11.544 0.371 1.00 32.11 H new ATOM 0 HD11 ILE B 30 -13.232 -9.255 -0.241 1.00 34.33 H new ATOM 0 HD12 ILE B 30 -13.533 -10.298 1.170 1.00 34.33 H new ATOM 0 HD13 ILE B 30 -11.999 -9.405 1.034 1.00 34.33 H new ATOM 1069 N THR B 31 -11.361 -13.240 -2.393 1.00 61.21 N ATOM 1070 CA THR B 31 -10.866 -13.280 -3.768 1.00 4.33 C ATOM 1071 C THR B 31 -10.759 -11.868 -4.356 1.00 23.43 C ATOM 1072 O THR B 31 -11.250 -10.910 -3.758 1.00 63.23 O ATOM 1073 CB THR B 31 -11.802 -14.182 -4.593 1.00 40.22 C ATOM 1074 OG1 THR B 31 -13.161 -13.866 -4.350 1.00 41.00 O ATOM 1075 CG2 THR B 31 -11.578 -15.662 -4.276 1.00 3.32 C ATOM 0 H THR B 31 -12.303 -12.855 -2.322 1.00 61.21 H new ATOM 0 HA THR B 31 -9.859 -13.696 -3.792 1.00 4.33 H new ATOM 0 HB THR B 31 -11.567 -14.001 -5.642 1.00 40.22 H new ATOM 0 HG1 THR B 31 -13.734 -14.452 -4.887 1.00 41.00 H new ATOM 0 HG21 THR B 31 -12.255 -16.269 -4.876 1.00 3.32 H new ATOM 0 HG22 THR B 31 -10.548 -15.932 -4.507 1.00 3.32 H new ATOM 0 HG23 THR B 31 -11.771 -15.841 -3.218 1.00 3.32 H new ATOM 1083 N ALA B 32 -10.097 -11.725 -5.514 1.00 64.24 N ATOM 1084 CA ALA B 32 -9.959 -10.421 -6.156 1.00 34.34 C ATOM 1085 C ALA B 32 -11.336 -9.897 -6.563 1.00 53.51 C ATOM 1086 O ALA B 32 -11.545 -8.694 -6.506 1.00 24.33 O ATOM 1087 CB ALA B 32 -9.034 -10.503 -7.376 1.00 12.10 C ATOM 0 H ALA B 32 -9.654 -12.494 -6.017 1.00 64.24 H new ATOM 0 HA ALA B 32 -9.510 -9.729 -5.443 1.00 34.34 H new ATOM 0 HB1 ALA B 32 -8.949 -9.518 -7.835 1.00 12.10 H new ATOM 0 HB2 ALA B 32 -8.047 -10.843 -7.062 1.00 12.10 H new ATOM 0 HB3 ALA B 32 -9.447 -11.206 -8.099 1.00 12.10 H new ATOM 1093 N GLU B 33 -12.255 -10.788 -6.952 1.00 33.34 N ATOM 1094 CA GLU B 33 -13.615 -10.450 -7.357 1.00 22.33 C ATOM 1095 C GLU B 33 -14.275 -9.620 -6.261 1.00 4.24 C ATOM 1096 O GLU B 33 -14.766 -8.535 -6.533 1.00 21.24 O ATOM 1097 CB GLU B 33 -14.405 -11.746 -7.600 1.00 61.32 C ATOM 1098 CG GLU B 33 -14.111 -12.369 -8.974 1.00 2.23 C ATOM 1099 CD GLU B 33 -14.762 -11.607 -10.137 1.00 52.45 C ATOM 1100 OE1 GLU B 33 -15.839 -10.987 -9.976 1.00 13.21 O ATOM 1101 OE2 GLU B 33 -14.192 -11.639 -11.248 1.00 30.14 O ATOM 0 H GLU B 33 -12.064 -11.789 -6.993 1.00 33.34 H new ATOM 0 HA GLU B 33 -13.599 -9.867 -8.278 1.00 22.33 H new ATOM 0 HB2 GLU B 33 -14.162 -12.467 -6.819 1.00 61.32 H new ATOM 0 HB3 GLU B 33 -15.472 -11.537 -7.521 1.00 61.32 H new ATOM 0 HG2 GLU B 33 -13.032 -12.401 -9.128 1.00 2.23 H new ATOM 0 HG3 GLU B 33 -14.464 -13.400 -8.981 1.00 2.23 H new ATOM 1106 N GLU B 34 -14.240 -10.089 -5.014 1.00 24.44 N ATOM 1107 CA GLU B 34 -14.838 -9.395 -3.880 1.00 31.24 C ATOM 1108 C GLU B 34 -14.181 -8.035 -3.642 1.00 72.53 C ATOM 1109 O GLU B 34 -14.860 -7.063 -3.311 1.00 71.24 O ATOM 1110 CB GLU B 34 -14.678 -10.266 -2.631 1.00 72.14 C ATOM 1111 CG GLU B 34 -15.415 -11.610 -2.684 1.00 63.41 C ATOM 1112 CD GLU B 34 -16.921 -11.433 -2.523 1.00 25.51 C ATOM 1113 OE1 GLU B 34 -17.551 -10.794 -3.394 1.00 30.11 O ATOM 1114 OE2 GLU B 34 -17.483 -11.933 -1.520 1.00 13.30 O ATOM 0 H GLU B 34 -13.791 -10.970 -4.763 1.00 24.44 H new ATOM 0 HA GLU B 34 -15.892 -9.221 -4.096 1.00 31.24 H new ATOM 0 HB2 GLU B 34 -13.617 -10.456 -2.471 1.00 72.14 H new ATOM 0 HB3 GLU B 34 -15.035 -9.706 -1.767 1.00 72.14 H new ATOM 0 HG2 GLU B 34 -15.206 -12.103 -3.633 1.00 63.41 H new ATOM 0 HG3 GLU B 34 -15.039 -12.263 -1.896 1.00 63.41 H new ATOM 1119 N MET B 35 -12.858 -7.954 -3.790 1.00 11.40 N ATOM 1120 CA MET B 35 -12.158 -6.693 -3.592 1.00 53.52 C ATOM 1121 C MET B 35 -12.570 -5.689 -4.668 1.00 44.43 C ATOM 1122 O MET B 35 -12.819 -4.533 -4.336 1.00 3.44 O ATOM 1123 CB MET B 35 -10.642 -6.892 -3.551 1.00 22.34 C ATOM 1124 CG MET B 35 -10.222 -7.753 -2.355 1.00 22.21 C ATOM 1125 SD MET B 35 -10.628 -7.099 -0.709 1.00 2.30 S ATOM 1126 CE MET B 35 -9.303 -5.878 -0.517 1.00 34.34 C ATOM 0 H MET B 35 -12.259 -8.740 -4.044 1.00 11.40 H new ATOM 0 HA MET B 35 -12.445 -6.288 -2.622 1.00 53.52 H new ATOM 0 HB2 MET B 35 -10.311 -7.365 -4.476 1.00 22.34 H new ATOM 0 HB3 MET B 35 -10.148 -5.922 -3.494 1.00 22.34 H new ATOM 0 HG2 MET B 35 -10.689 -8.733 -2.458 1.00 22.21 H new ATOM 0 HG3 MET B 35 -9.144 -7.906 -2.406 1.00 22.21 H new ATOM 0 HE1 MET B 35 -9.404 -5.380 0.448 1.00 34.34 H new ATOM 0 HE2 MET B 35 -8.336 -6.379 -0.568 1.00 34.34 H new ATOM 0 HE3 MET B 35 -9.371 -5.139 -1.315 1.00 34.34 H new ATOM 1134 N TYR B 36 -12.632 -6.095 -5.937 1.00 53.54 N ATOM 1135 CA TYR B 36 -13.030 -5.210 -7.026 1.00 14.22 C ATOM 1136 C TYR B 36 -14.538 -4.920 -6.930 1.00 13.34 C ATOM 1137 O TYR B 36 -14.984 -3.829 -7.281 1.00 5.43 O ATOM 1138 CB TYR B 36 -12.552 -5.771 -8.374 1.00 54.12 C ATOM 1139 CG TYR B 36 -11.089 -5.429 -8.653 1.00 74.21 C ATOM 1140 CD1 TYR B 36 -10.039 -6.109 -7.999 1.00 10.31 C ATOM 1141 CD2 TYR B 36 -10.775 -4.361 -9.517 1.00 73.44 C ATOM 1142 CE1 TYR B 36 -8.704 -5.709 -8.173 1.00 1.24 C ATOM 1143 CE2 TYR B 36 -9.440 -3.955 -9.696 1.00 43.10 C ATOM 1144 CZ TYR B 36 -8.398 -4.611 -9.006 1.00 0.31 C ATOM 1145 OH TYR B 36 -7.115 -4.165 -9.115 1.00 1.05 O ATOM 0 H TYR B 36 -12.408 -7.044 -6.235 1.00 53.54 H new ATOM 0 HA TYR B 36 -12.540 -4.240 -6.941 1.00 14.22 H new ATOM 0 HB2 TYR B 36 -12.678 -6.854 -8.381 1.00 54.12 H new ATOM 0 HB3 TYR B 36 -13.176 -5.372 -9.174 1.00 54.12 H new ATOM 0 HD1 TYR B 36 -10.265 -6.947 -7.357 1.00 10.31 H new ATOM 0 HD2 TYR B 36 -11.566 -3.850 -10.046 1.00 73.44 H new ATOM 0 HE1 TYR B 36 -7.911 -6.242 -7.669 1.00 1.24 H new ATOM 0 HE2 TYR B 36 -9.211 -3.138 -10.364 1.00 43.10 H new ATOM 0 HH TYR B 36 -7.085 -3.403 -9.731 1.00 1.05 H new ATOM 1154 N ASP B 37 -15.331 -5.825 -6.355 1.00 12.13 N ATOM 1155 CA ASP B 37 -16.765 -5.631 -6.177 1.00 2.02 C ATOM 1156 C ASP B 37 -17.002 -4.523 -5.143 1.00 42.22 C ATOM 1157 O ASP B 37 -17.935 -3.734 -5.294 1.00 61.23 O ATOM 1158 CB ASP B 37 -17.433 -6.934 -5.719 1.00 74.25 C ATOM 1159 CG ASP B 37 -18.901 -6.738 -5.344 1.00 62.14 C ATOM 1160 OD1 ASP B 37 -19.744 -6.590 -6.264 1.00 73.44 O ATOM 1161 OD2 ASP B 37 -19.214 -6.770 -4.131 1.00 73.01 O ATOM 0 H ASP B 37 -14.991 -6.718 -5.998 1.00 12.13 H new ATOM 0 HA ASP B 37 -17.206 -5.340 -7.130 1.00 2.02 H new ATOM 0 HB2 ASP B 37 -17.360 -7.675 -6.515 1.00 74.25 H new ATOM 0 HB3 ASP B 37 -16.892 -7.334 -4.861 1.00 74.25 H new ATOM 1165 N ILE B 38 -16.155 -4.418 -4.114 1.00 55.31 N ATOM 1166 CA ILE B 38 -16.259 -3.422 -3.045 1.00 34.24 C ATOM 1167 C ILE B 38 -15.427 -2.175 -3.347 1.00 61.05 C ATOM 1168 O ILE B 38 -15.972 -1.112 -3.628 1.00 62.02 O ATOM 1169 CB ILE B 38 -15.893 -4.077 -1.691 1.00 50.03 C ATOM 1170 CG1 ILE B 38 -16.958 -5.132 -1.323 1.00 13.00 C ATOM 1171 CG2 ILE B 38 -15.785 -3.038 -0.554 1.00 43.31 C ATOM 1172 CD1 ILE B 38 -16.483 -6.138 -0.278 1.00 65.13 C ATOM 0 H ILE B 38 -15.356 -5.042 -3.999 1.00 55.31 H new ATOM 0 HA ILE B 38 -17.290 -3.074 -2.981 1.00 34.24 H new ATOM 0 HB ILE B 38 -14.916 -4.547 -1.805 1.00 50.03 H new ATOM 0 HG12 ILE B 38 -17.847 -4.624 -0.949 1.00 13.00 H new ATOM 0 HG13 ILE B 38 -17.253 -5.669 -2.225 1.00 13.00 H new ATOM 0 HG21 ILE B 38 -15.527 -3.543 0.377 1.00 43.31 H new ATOM 0 HG22 ILE B 38 -15.012 -2.310 -0.799 1.00 43.31 H new ATOM 0 HG23 ILE B 38 -16.740 -2.527 -0.436 1.00 43.31 H new ATOM 0 HD11 ILE B 38 -17.282 -6.849 -0.068 1.00 65.13 H new ATOM 0 HD12 ILE B 38 -15.612 -6.673 -0.657 1.00 65.13 H new ATOM 0 HD13 ILE B 38 -16.215 -5.612 0.638 1.00 65.13 H new ATOM 1183 N PHE B 39 -14.101 -2.280 -3.251 1.00 64.12 N ATOM 1184 CA PHE B 39 -13.175 -1.179 -3.480 1.00 31.25 C ATOM 1185 C PHE B 39 -13.317 -0.642 -4.899 1.00 43.31 C ATOM 1186 O PHE B 39 -13.203 0.567 -5.115 1.00 54.11 O ATOM 1187 CB PHE B 39 -11.741 -1.632 -3.160 1.00 13.04 C ATOM 1188 CG PHE B 39 -11.535 -1.989 -1.697 1.00 12.34 C ATOM 1189 CD1 PHE B 39 -11.886 -3.258 -1.198 1.00 34.53 C ATOM 1190 CD2 PHE B 39 -11.036 -1.019 -0.812 1.00 24.34 C ATOM 1191 CE1 PHE B 39 -11.779 -3.535 0.176 1.00 22.45 C ATOM 1192 CE2 PHE B 39 -10.927 -1.293 0.561 1.00 31.50 C ATOM 1193 CZ PHE B 39 -11.310 -2.550 1.059 1.00 12.22 C ATOM 0 H PHE B 39 -13.634 -3.153 -3.006 1.00 64.12 H new ATOM 0 HA PHE B 39 -13.416 -0.353 -2.811 1.00 31.25 H new ATOM 0 HB2 PHE B 39 -11.495 -2.497 -3.776 1.00 13.04 H new ATOM 0 HB3 PHE B 39 -11.047 -0.838 -3.434 1.00 13.04 H new ATOM 0 HD1 PHE B 39 -12.239 -4.022 -1.874 1.00 34.53 H new ATOM 0 HD2 PHE B 39 -10.733 -0.054 -1.191 1.00 24.34 H new ATOM 0 HE1 PHE B 39 -12.058 -4.508 0.553 1.00 22.45 H new ATOM 0 HE2 PHE B 39 -10.549 -0.538 1.234 1.00 31.50 H new ATOM 0 HZ PHE B 39 -11.244 -2.757 2.117 1.00 12.22 H new ATOM 1202 N GLY B 40 -13.607 -1.528 -5.855 1.00 52.40 N ATOM 1203 CA GLY B 40 -13.778 -1.157 -7.245 1.00 63.03 C ATOM 1204 C GLY B 40 -15.158 -0.555 -7.519 1.00 15.02 C ATOM 1205 O GLY B 40 -15.431 -0.128 -8.641 1.00 33.32 O ATOM 0 H GLY B 40 -13.728 -2.525 -5.677 1.00 52.40 H new ATOM 0 HA2 GLY B 40 -13.008 -0.438 -7.524 1.00 63.03 H new ATOM 0 HA3 GLY B 40 -13.636 -2.036 -7.874 1.00 63.03 H new ATOM 1209 N LYS B 41 -16.079 -0.556 -6.543 1.00 51.43 N ATOM 1210 CA LYS B 41 -17.410 0.023 -6.725 1.00 0.34 C ATOM 1211 C LYS B 41 -17.259 1.519 -6.956 1.00 40.22 C ATOM 1212 O LYS B 41 -17.814 2.075 -7.902 1.00 32.35 O ATOM 1213 CB LYS B 41 -18.278 -0.224 -5.479 1.00 51.30 C ATOM 1214 CG LYS B 41 -19.755 0.056 -5.778 1.00 34.31 C ATOM 1215 CD LYS B 41 -20.637 -0.063 -4.527 1.00 22.12 C ATOM 1216 CE LYS B 41 -20.838 -1.496 -4.015 1.00 42.22 C ATOM 1217 NZ LYS B 41 -21.492 -2.383 -5.000 1.00 54.15 N ATOM 0 H LYS B 41 -15.921 -0.954 -5.617 1.00 51.43 H new ATOM 0 HA LYS B 41 -17.897 -0.444 -7.581 1.00 0.34 H new ATOM 0 HB2 LYS B 41 -18.159 -1.255 -5.147 1.00 51.30 H new ATOM 0 HB3 LYS B 41 -17.940 0.415 -4.663 1.00 51.30 H new ATOM 0 HG2 LYS B 41 -19.855 1.058 -6.196 1.00 34.31 H new ATOM 0 HG3 LYS B 41 -20.108 -0.643 -6.536 1.00 34.31 H new ATOM 0 HD2 LYS B 41 -20.195 0.534 -3.730 1.00 22.12 H new ATOM 0 HD3 LYS B 41 -21.613 0.370 -4.745 1.00 22.12 H new ATOM 0 HE2 LYS B 41 -19.870 -1.917 -3.744 1.00 42.22 H new ATOM 0 HE3 LYS B 41 -21.439 -1.469 -3.106 1.00 42.22 H new ATOM 0 HZ1 LYS B 41 -21.706 -3.298 -4.555 1.00 54.15 H new ATOM 0 HZ2 LYS B 41 -22.375 -1.944 -5.330 1.00 54.15 H new ATOM 0 HZ3 LYS B 41 -20.856 -2.532 -5.809 1.00 54.15 H new ATOM 1227 N TYR B 42 -16.466 2.146 -6.095 1.00 3.15 N ATOM 1228 CA TYR B 42 -16.175 3.562 -6.091 1.00 12.11 C ATOM 1229 C TYR B 42 -15.466 4.015 -7.373 1.00 12.33 C ATOM 1230 O TYR B 42 -15.808 5.080 -7.905 1.00 13.21 O ATOM 1231 CB TYR B 42 -15.374 3.853 -4.813 1.00 62.32 C ATOM 1232 CG TYR B 42 -16.051 3.350 -3.540 1.00 43.41 C ATOM 1233 CD1 TYR B 42 -17.318 3.849 -3.179 1.00 65.05 C ATOM 1234 CD2 TYR B 42 -15.444 2.361 -2.737 1.00 63.35 C ATOM 1235 CE1 TYR B 42 -17.960 3.394 -2.016 1.00 44.12 C ATOM 1236 CE2 TYR B 42 -16.071 1.915 -1.557 1.00 32.25 C ATOM 1237 CZ TYR B 42 -17.336 2.434 -1.191 1.00 61.24 C ATOM 1238 OH TYR B 42 -17.974 2.010 -0.067 1.00 34.24 O ATOM 0 H TYR B 42 -15.987 1.648 -5.345 1.00 3.15 H new ATOM 0 HA TYR B 42 -17.096 4.144 -6.083 1.00 12.11 H new ATOM 0 HB2 TYR B 42 -14.390 3.392 -4.898 1.00 62.32 H new ATOM 0 HB3 TYR B 42 -15.216 4.928 -4.730 1.00 62.32 H new ATOM 0 HD1 TYR B 42 -17.800 4.588 -3.802 1.00 65.05 H new ATOM 0 HD2 TYR B 42 -14.492 1.943 -3.029 1.00 63.35 H new ATOM 0 HE1 TYR B 42 -18.934 3.780 -1.752 1.00 44.12 H new ATOM 0 HE2 TYR B 42 -15.587 1.178 -0.933 1.00 32.25 H new ATOM 0 HH TYR B 42 -18.943 2.055 -0.204 1.00 34.24 H new ATOM 1247 N GLY B 43 -14.525 3.224 -7.899 1.00 31.34 N ATOM 1248 CA GLY B 43 -13.772 3.542 -9.106 1.00 74.21 C ATOM 1249 C GLY B 43 -12.660 2.522 -9.359 1.00 12.24 C ATOM 1250 O GLY B 43 -12.706 1.429 -8.791 1.00 51.25 O ATOM 0 H GLY B 43 -14.264 2.329 -7.486 1.00 31.34 H new ATOM 0 HA2 GLY B 43 -14.447 3.565 -9.961 1.00 74.21 H new ATOM 0 HA3 GLY B 43 -13.339 4.538 -9.014 1.00 74.21 H new ATOM 1254 N PRO B 44 -11.699 2.818 -10.246 1.00 20.12 N ATOM 1255 CA PRO B 44 -10.593 1.919 -10.551 1.00 74.45 C ATOM 1256 C PRO B 44 -9.665 1.744 -9.345 1.00 62.32 C ATOM 1257 O PRO B 44 -9.703 2.528 -8.398 1.00 45.30 O ATOM 1258 CB PRO B 44 -9.879 2.546 -11.746 1.00 71.13 C ATOM 1259 CG PRO B 44 -10.204 4.028 -11.638 1.00 41.44 C ATOM 1260 CD PRO B 44 -11.569 4.070 -10.966 1.00 4.50 C ATOM 0 HA PRO B 44 -10.940 0.913 -10.787 1.00 74.45 H new ATOM 0 HB2 PRO B 44 -8.804 2.370 -11.705 1.00 71.13 H new ATOM 0 HB3 PRO B 44 -10.235 2.128 -12.687 1.00 71.13 H new ATOM 0 HG2 PRO B 44 -9.455 4.557 -11.049 1.00 41.44 H new ATOM 0 HG3 PRO B 44 -10.230 4.501 -12.619 1.00 41.44 H new ATOM 0 HD2 PRO B 44 -11.644 4.920 -10.288 1.00 4.50 H new ATOM 0 HD3 PRO B 44 -12.364 4.180 -11.704 1.00 4.50 H new ATOM 1265 N ILE B 45 -8.800 0.726 -9.388 1.00 63.13 N ATOM 1266 CA ILE B 45 -7.858 0.427 -8.313 1.00 53.10 C ATOM 1267 C ILE B 45 -6.462 0.357 -8.929 1.00 4.52 C ATOM 1268 O ILE B 45 -6.271 -0.191 -10.016 1.00 74.41 O ATOM 1269 CB ILE B 45 -8.255 -0.875 -7.576 1.00 11.23 C ATOM 1270 CG1 ILE B 45 -9.763 -0.938 -7.224 1.00 21.15 C ATOM 1271 CG2 ILE B 45 -7.403 -1.001 -6.299 1.00 23.22 C ATOM 1272 CD1 ILE B 45 -10.171 -2.229 -6.505 1.00 31.13 C ATOM 0 H ILE B 45 -8.736 0.083 -10.177 1.00 63.13 H new ATOM 0 HA ILE B 45 -7.872 1.208 -7.553 1.00 53.10 H new ATOM 0 HB ILE B 45 -8.065 -1.710 -8.250 1.00 11.23 H new ATOM 0 HG12 ILE B 45 -10.017 -0.085 -6.594 1.00 21.15 H new ATOM 0 HG13 ILE B 45 -10.346 -0.842 -8.140 1.00 21.15 H new ATOM 0 HG21 ILE B 45 -7.673 -1.915 -5.770 1.00 23.22 H new ATOM 0 HG22 ILE B 45 -6.347 -1.036 -6.568 1.00 23.22 H new ATOM 0 HG23 ILE B 45 -7.585 -0.141 -5.654 1.00 23.22 H new ATOM 0 HD11 ILE B 45 -11.239 -2.204 -6.290 1.00 31.13 H new ATOM 0 HD12 ILE B 45 -9.949 -3.086 -7.141 1.00 31.13 H new ATOM 0 HD13 ILE B 45 -9.615 -2.317 -5.572 1.00 31.13 H new ATOM 1283 N ARG B 46 -5.467 0.941 -8.261 1.00 10.31 N ATOM 1284 CA ARG B 46 -4.086 0.954 -8.734 1.00 60.45 C ATOM 1285 C ARG B 46 -3.430 -0.403 -8.489 1.00 24.11 C ATOM 1286 O ARG B 46 -2.920 -0.994 -9.437 1.00 20.53 O ATOM 1287 CB ARG B 46 -3.330 2.121 -8.075 1.00 64.03 C ATOM 1288 CG ARG B 46 -1.883 2.325 -8.547 1.00 12.42 C ATOM 1289 CD ARG B 46 -1.816 2.552 -10.059 1.00 71.41 C ATOM 1290 NE ARG B 46 -0.509 3.073 -10.476 1.00 71.41 N ATOM 1291 CZ ARG B 46 -0.138 3.292 -11.740 1.00 42.04 C ATOM 1292 NH1 ARG B 46 -1.020 3.162 -12.730 1.00 60.51 N ATOM 1293 NH2 ARG B 46 1.104 3.683 -12.013 1.00 0.25 N ATOM 0 H ARG B 46 -5.599 1.421 -7.371 1.00 10.31 H new ATOM 0 HA ARG B 46 -4.056 1.118 -9.811 1.00 60.45 H new ATOM 0 HB2 ARG B 46 -3.886 3.040 -8.258 1.00 64.03 H new ATOM 0 HB3 ARG B 46 -3.323 1.963 -6.997 1.00 64.03 H new ATOM 0 HG2 ARG B 46 -1.447 3.179 -8.030 1.00 12.42 H new ATOM 0 HG3 ARG B 46 -1.286 1.453 -8.282 1.00 12.42 H new ATOM 0 HD2 ARG B 46 -2.015 1.613 -10.576 1.00 71.41 H new ATOM 0 HD3 ARG B 46 -2.597 3.251 -10.356 1.00 71.41 H new ATOM 0 HE ARG B 46 0.169 3.284 -9.744 1.00 71.41 H new ATOM 0 HH11 ARG B 46 -1.982 2.894 -12.524 1.00 60.51 H new ATOM 0 HH12 ARG B 46 -0.733 3.330 -13.694 1.00 60.51 H new ATOM 0 HH21 ARG B 46 1.775 3.816 -11.256 1.00 0.25 H new ATOM 0 HH22 ARG B 46 1.385 3.850 -12.979 1.00 0.25 H new ATOM 1304 N GLN B 47 -3.411 -0.892 -7.246 1.00 11.24 N ATOM 1305 CA GLN B 47 -2.811 -2.176 -6.880 1.00 21.43 C ATOM 1306 C GLN B 47 -3.345 -2.578 -5.495 1.00 13.45 C ATOM 1307 O GLN B 47 -3.678 -1.697 -4.693 1.00 61.31 O ATOM 1308 CB GLN B 47 -1.272 -2.002 -6.852 1.00 14.31 C ATOM 1309 CG GLN B 47 -0.492 -3.326 -6.691 1.00 51.21 C ATOM 1310 CD GLN B 47 1.019 -3.178 -6.494 1.00 53.24 C ATOM 1311 OE1 GLN B 47 1.593 -3.698 -5.537 1.00 42.30 O ATOM 1312 NE2 GLN B 47 1.712 -2.539 -7.415 1.00 65.24 N ATOM 0 H GLN B 47 -3.819 -0.397 -6.453 1.00 11.24 H new ATOM 0 HA GLN B 47 -3.064 -2.957 -7.597 1.00 21.43 H new ATOM 0 HB2 GLN B 47 -0.955 -1.515 -7.774 1.00 14.31 H new ATOM 0 HB3 GLN B 47 -1.007 -1.334 -6.032 1.00 14.31 H new ATOM 0 HG2 GLN B 47 -0.901 -3.868 -5.838 1.00 51.21 H new ATOM 0 HG3 GLN B 47 -0.668 -3.941 -7.573 1.00 51.21 H new ATOM 0 HE21 GLN B 47 1.233 -2.109 -8.207 1.00 65.24 H new ATOM 0 HE22 GLN B 47 2.727 -2.474 -7.336 1.00 65.24 H new ATOM 1319 N ILE B 48 -3.399 -3.876 -5.173 1.00 4.42 N ATOM 1320 CA ILE B 48 -3.868 -4.397 -3.882 1.00 53.12 C ATOM 1321 C ILE B 48 -2.845 -5.416 -3.367 1.00 35.34 C ATOM 1322 O ILE B 48 -2.196 -6.116 -4.150 1.00 31.35 O ATOM 1323 CB ILE B 48 -5.278 -5.042 -3.998 1.00 74.11 C ATOM 1324 CG1 ILE B 48 -6.302 -4.097 -4.665 1.00 40.53 C ATOM 1325 CG2 ILE B 48 -5.791 -5.488 -2.609 1.00 34.44 C ATOM 1326 CD1 ILE B 48 -7.691 -4.722 -4.847 1.00 55.45 C ATOM 0 H ILE B 48 -3.111 -4.612 -5.818 1.00 4.42 H new ATOM 0 HA ILE B 48 -3.959 -3.570 -3.178 1.00 53.12 H new ATOM 0 HB ILE B 48 -5.174 -5.917 -4.639 1.00 74.11 H new ATOM 0 HG12 ILE B 48 -6.396 -3.194 -4.062 1.00 40.53 H new ATOM 0 HG13 ILE B 48 -5.920 -3.792 -5.639 1.00 40.53 H new ATOM 0 HG21 ILE B 48 -6.779 -5.937 -2.713 1.00 34.44 H new ATOM 0 HG22 ILE B 48 -5.103 -6.219 -2.185 1.00 34.44 H new ATOM 0 HG23 ILE B 48 -5.853 -4.623 -1.949 1.00 34.44 H new ATOM 0 HD11 ILE B 48 -8.356 -4.000 -5.321 1.00 55.45 H new ATOM 0 HD12 ILE B 48 -7.611 -5.609 -5.475 1.00 55.45 H new ATOM 0 HD13 ILE B 48 -8.094 -5.002 -3.874 1.00 55.45 H new ATOM 1337 N ARG B 49 -2.695 -5.501 -2.041 1.00 31.44 N ATOM 1338 CA ARG B 49 -1.802 -6.424 -1.344 1.00 2.02 C ATOM 1339 C ARG B 49 -2.522 -6.862 -0.085 1.00 2.50 C ATOM 1340 O ARG B 49 -3.185 -6.037 0.554 1.00 73.34 O ATOM 1341 CB ARG B 49 -0.456 -5.793 -0.970 1.00 45.23 C ATOM 1342 CG ARG B 49 0.337 -5.356 -2.201 1.00 72.43 C ATOM 1343 CD ARG B 49 1.731 -4.897 -1.803 1.00 53.34 C ATOM 1344 NE ARG B 49 2.476 -4.536 -3.010 1.00 73.51 N ATOM 1345 CZ ARG B 49 3.724 -4.890 -3.307 1.00 64.15 C ATOM 1346 NH1 ARG B 49 4.525 -5.402 -2.376 1.00 3.11 N ATOM 1347 NH2 ARG B 49 4.130 -4.718 -4.558 1.00 5.25 N ATOM 0 H ARG B 49 -3.216 -4.902 -1.400 1.00 31.44 H new ATOM 0 HA ARG B 49 -1.571 -7.259 -2.006 1.00 2.02 H new ATOM 0 HB2 ARG B 49 -0.627 -4.931 -0.325 1.00 45.23 H new ATOM 0 HB3 ARG B 49 0.132 -6.509 -0.396 1.00 45.23 H new ATOM 0 HG2 ARG B 49 0.408 -6.183 -2.907 1.00 72.43 H new ATOM 0 HG3 ARG B 49 -0.187 -4.547 -2.710 1.00 72.43 H new ATOM 0 HD2 ARG B 49 1.668 -4.042 -1.130 1.00 53.34 H new ATOM 0 HD3 ARG B 49 2.249 -5.690 -1.264 1.00 53.34 H new ATOM 0 HE ARG B 49 1.990 -3.954 -3.692 1.00 73.51 H new ATOM 0 HH11 ARG B 49 4.184 -5.527 -1.423 1.00 3.11 H new ATOM 0 HH12 ARG B 49 5.480 -5.670 -2.616 1.00 3.11 H new ATOM 0 HH21 ARG B 49 3.493 -4.327 -5.252 1.00 5.25 H new ATOM 0 HH22 ARG B 49 5.079 -4.977 -4.826 1.00 5.25 H new ATOM 1358 N VAL B 50 -2.382 -8.127 0.288 1.00 51.24 N ATOM 1359 CA VAL B 50 -3.027 -8.703 1.458 1.00 2.34 C ATOM 1360 C VAL B 50 -1.999 -9.445 2.298 1.00 53.42 C ATOM 1361 O VAL B 50 -0.966 -9.866 1.778 1.00 24.51 O ATOM 1362 CB VAL B 50 -4.165 -9.642 1.006 1.00 41.11 C ATOM 1363 CG1 VAL B 50 -5.252 -8.867 0.254 1.00 71.50 C ATOM 1364 CG2 VAL B 50 -3.696 -10.801 0.107 1.00 45.44 C ATOM 0 H VAL B 50 -1.805 -8.794 -0.225 1.00 51.24 H new ATOM 0 HA VAL B 50 -3.458 -7.913 2.073 1.00 2.34 H new ATOM 0 HB VAL B 50 -4.558 -10.069 1.929 1.00 41.11 H new ATOM 0 HG11 VAL B 50 -6.042 -9.553 -0.053 1.00 71.50 H new ATOM 0 HG12 VAL B 50 -5.670 -8.101 0.907 1.00 71.50 H new ATOM 0 HG13 VAL B 50 -4.818 -8.395 -0.628 1.00 71.50 H new ATOM 0 HG21 VAL B 50 -4.552 -11.417 -0.169 1.00 45.44 H new ATOM 0 HG22 VAL B 50 -3.233 -10.398 -0.794 1.00 45.44 H new ATOM 0 HG23 VAL B 50 -2.971 -11.410 0.647 1.00 45.44 H new ATOM 1374 N GLY B 51 -2.277 -9.598 3.592 1.00 51.22 N ATOM 1375 CA GLY B 51 -1.383 -10.309 4.487 1.00 10.12 C ATOM 1376 C GLY B 51 -1.255 -11.763 4.042 1.00 51.45 C ATOM 1377 O GLY B 51 -2.222 -12.351 3.544 1.00 2.12 O ATOM 0 H GLY B 51 -3.119 -9.235 4.039 1.00 51.22 H new ATOM 0 HA2 GLY B 51 -0.403 -9.833 4.491 1.00 10.12 H new ATOM 0 HA3 GLY B 51 -1.763 -10.264 5.507 1.00 10.12 H new ATOM 1381 N ASN B 52 -0.070 -12.339 4.230 1.00 34.24 N ATOM 1382 CA ASN B 52 0.257 -13.713 3.856 1.00 65.40 C ATOM 1383 C ASN B 52 0.783 -14.534 5.038 1.00 52.13 C ATOM 1384 O ASN B 52 1.095 -15.712 4.867 1.00 44.12 O ATOM 1385 CB ASN B 52 1.281 -13.658 2.712 1.00 21.23 C ATOM 1386 CG ASN B 52 1.488 -15.001 2.021 1.00 52.54 C ATOM 1387 OD1 ASN B 52 2.524 -15.640 2.168 1.00 11.02 O ATOM 1388 ND2 ASN B 52 0.530 -15.453 1.233 1.00 74.25 N ATOM 0 H ASN B 52 0.713 -11.847 4.660 1.00 34.24 H new ATOM 0 HA ASN B 52 -0.650 -14.221 3.530 1.00 65.40 H new ATOM 0 HB2 ASN B 52 0.953 -12.925 1.975 1.00 21.23 H new ATOM 0 HB3 ASN B 52 2.236 -13.309 3.105 1.00 21.23 H new ATOM 0 HD21 ASN B 52 0.649 -16.339 0.742 1.00 74.25 H new ATOM 0 HD22 ASN B 52 -0.329 -14.916 1.115 1.00 74.25 H new ATOM 1394 N THR B 53 0.859 -13.950 6.234 1.00 53.34 N ATOM 1395 CA THR B 53 1.346 -14.583 7.455 1.00 61.34 C ATOM 1396 C THR B 53 0.271 -14.473 8.549 1.00 14.22 C ATOM 1397 O THR B 53 -0.613 -13.616 8.448 1.00 75.41 O ATOM 1398 CB THR B 53 2.700 -13.925 7.826 1.00 22.31 C ATOM 1399 OG1 THR B 53 2.592 -12.522 7.974 1.00 72.41 O ATOM 1400 CG2 THR B 53 3.753 -14.182 6.741 1.00 0.31 C ATOM 0 H THR B 53 0.570 -12.983 6.382 1.00 53.34 H new ATOM 0 HA THR B 53 1.529 -15.650 7.324 1.00 61.34 H new ATOM 0 HB THR B 53 2.996 -14.375 8.774 1.00 22.31 H new ATOM 0 HG1 THR B 53 1.762 -12.212 7.555 1.00 72.41 H new ATOM 0 HG21 THR B 53 4.693 -13.709 7.027 1.00 0.31 H new ATOM 0 HG22 THR B 53 3.906 -15.255 6.629 1.00 0.31 H new ATOM 0 HG23 THR B 53 3.410 -13.764 5.795 1.00 0.31 H new ATOM 1408 N PRO B 54 0.335 -15.276 9.629 1.00 22.53 N ATOM 1409 CA PRO B 54 -0.629 -15.256 10.740 1.00 43.31 C ATOM 1410 C PRO B 54 -0.650 -13.939 11.535 1.00 51.02 C ATOM 1411 O PRO B 54 -1.375 -13.821 12.524 1.00 51.44 O ATOM 1412 CB PRO B 54 -0.273 -16.457 11.625 1.00 33.32 C ATOM 1413 CG PRO B 54 1.202 -16.684 11.324 1.00 74.12 C ATOM 1414 CD PRO B 54 1.319 -16.325 9.852 1.00 32.53 C ATOM 0 HA PRO B 54 -1.643 -15.325 10.347 1.00 43.31 H new ATOM 0 HB2 PRO B 54 -0.441 -16.243 12.681 1.00 33.32 H new ATOM 0 HB3 PRO B 54 -0.874 -17.332 11.378 1.00 33.32 H new ATOM 0 HG2 PRO B 54 1.840 -16.054 11.943 1.00 74.12 H new ATOM 0 HG3 PRO B 54 1.496 -17.717 11.511 1.00 74.12 H new ATOM 0 HD2 PRO B 54 2.324 -15.978 9.611 1.00 32.53 H new ATOM 0 HD3 PRO B 54 1.120 -17.190 9.220 1.00 32.53 H new ATOM 1419 N GLU B 55 0.138 -12.945 11.131 1.00 53.13 N ATOM 1420 CA GLU B 55 0.228 -11.642 11.765 1.00 25.31 C ATOM 1421 C GLU B 55 -0.229 -10.521 10.831 1.00 31.34 C ATOM 1422 O GLU B 55 -0.624 -9.458 11.307 1.00 10.20 O ATOM 1423 CB GLU B 55 1.634 -11.454 12.336 1.00 42.31 C ATOM 1424 CG GLU B 55 2.790 -11.627 11.346 1.00 32.00 C ATOM 1425 CD GLU B 55 4.163 -11.487 12.014 1.00 45.30 C ATOM 1426 OE1 GLU B 55 4.313 -11.719 13.245 1.00 23.22 O ATOM 1427 OE2 GLU B 55 5.130 -11.176 11.296 1.00 44.42 O ATOM 0 H GLU B 55 0.753 -13.034 10.322 1.00 53.13 H new ATOM 0 HA GLU B 55 -0.467 -11.591 12.603 1.00 25.31 H new ATOM 0 HB2 GLU B 55 1.698 -10.455 12.768 1.00 42.31 H new ATOM 0 HB3 GLU B 55 1.771 -12.164 13.152 1.00 42.31 H new ATOM 0 HG2 GLU B 55 2.717 -12.607 10.875 1.00 32.00 H new ATOM 0 HG3 GLU B 55 2.698 -10.885 10.553 1.00 32.00 H new ATOM 1432 N THR B 56 -0.264 -10.751 9.522 1.00 5.22 N ATOM 1433 CA THR B 56 -0.697 -9.770 8.532 1.00 64.00 C ATOM 1434 C THR B 56 -2.100 -10.138 8.030 1.00 64.15 C ATOM 1435 O THR B 56 -2.821 -9.312 7.474 1.00 42.43 O ATOM 1436 CB THR B 56 0.350 -9.724 7.412 1.00 61.43 C ATOM 1437 OG1 THR B 56 0.536 -11.035 6.909 1.00 4.21 O ATOM 1438 CG2 THR B 56 1.696 -9.193 7.921 1.00 71.31 C ATOM 0 H THR B 56 0.013 -11.643 9.111 1.00 5.22 H new ATOM 0 HA THR B 56 -0.771 -8.771 8.961 1.00 64.00 H new ATOM 0 HB THR B 56 -0.010 -9.052 6.633 1.00 61.43 H new ATOM 0 HG1 THR B 56 1.246 -11.029 6.233 1.00 4.21 H new ATOM 0 HG21 THR B 56 2.413 -9.174 7.101 1.00 71.31 H new ATOM 0 HG22 THR B 56 1.565 -8.184 8.311 1.00 71.31 H new ATOM 0 HG23 THR B 56 2.068 -9.843 8.713 1.00 71.31 H new ATOM 1446 N ARG B 57 -2.530 -11.395 8.203 1.00 75.04 N ATOM 1447 CA ARG B 57 -3.858 -11.804 7.773 1.00 33.14 C ATOM 1448 C ARG B 57 -4.865 -11.010 8.611 1.00 50.00 C ATOM 1449 O ARG B 57 -4.695 -10.852 9.823 1.00 52.34 O ATOM 1450 CB ARG B 57 -4.003 -13.331 7.813 1.00 34.42 C ATOM 1451 CG ARG B 57 -3.976 -13.972 9.205 1.00 21.51 C ATOM 1452 CD ARG B 57 -4.292 -15.476 9.174 1.00 43.34 C ATOM 1453 NE ARG B 57 -3.302 -16.282 8.417 1.00 34.22 N ATOM 1454 CZ ARG B 57 -2.773 -17.450 8.824 1.00 71.14 C ATOM 1455 NH1 ARG B 57 -3.161 -18.017 9.961 1.00 14.20 N ATOM 1456 NH2 ARG B 57 -1.843 -18.070 8.106 1.00 5.04 N ATOM 0 H ARG B 57 -1.977 -12.135 8.635 1.00 75.04 H new ATOM 0 HA ARG B 57 -4.052 -11.568 6.727 1.00 33.14 H new ATOM 0 HB2 ARG B 57 -4.942 -13.600 7.329 1.00 34.42 H new ATOM 0 HB3 ARG B 57 -3.201 -13.768 7.218 1.00 34.42 H new ATOM 0 HG2 ARG B 57 -2.993 -13.821 9.651 1.00 21.51 H new ATOM 0 HG3 ARG B 57 -4.698 -13.467 9.847 1.00 21.51 H new ATOM 0 HD2 ARG B 57 -4.343 -15.848 10.197 1.00 43.34 H new ATOM 0 HD3 ARG B 57 -5.278 -15.621 8.733 1.00 43.34 H new ATOM 0 HE ARG B 57 -2.997 -15.920 7.513 1.00 34.22 H new ATOM 0 HH11 ARG B 57 -3.870 -17.566 10.540 1.00 14.20 H new ATOM 0 HH12 ARG B 57 -2.750 -18.903 10.255 1.00 14.20 H new ATOM 0 HH21 ARG B 57 -1.518 -17.661 7.230 1.00 5.04 H new ATOM 0 HH22 ARG B 57 -1.454 -18.955 8.431 1.00 5.04 H new ATOM 1467 N GLY B 58 -5.927 -10.524 7.978 1.00 74.41 N ATOM 1468 CA GLY B 58 -6.968 -9.725 8.613 1.00 34.04 C ATOM 1469 C GLY B 58 -6.808 -8.240 8.278 1.00 52.20 C ATOM 1470 O GLY B 58 -7.777 -7.481 8.370 1.00 71.33 O ATOM 0 H GLY B 58 -6.092 -10.679 6.983 1.00 74.41 H new ATOM 0 HA2 GLY B 58 -7.948 -10.071 8.284 1.00 34.04 H new ATOM 0 HA3 GLY B 58 -6.928 -9.863 9.693 1.00 34.04 H new ATOM 1474 N THR B 59 -5.617 -7.813 7.858 1.00 43.22 N ATOM 1475 CA THR B 59 -5.303 -6.445 7.478 1.00 52.44 C ATOM 1476 C THR B 59 -4.844 -6.481 6.011 1.00 60.24 C ATOM 1477 O THR B 59 -4.533 -7.554 5.467 1.00 34.31 O ATOM 1478 CB THR B 59 -4.306 -5.838 8.489 1.00 44.43 C ATOM 1479 OG1 THR B 59 -3.172 -6.657 8.653 1.00 51.34 O ATOM 1480 CG2 THR B 59 -4.942 -5.711 9.878 1.00 1.05 C ATOM 0 H THR B 59 -4.816 -8.439 7.772 1.00 43.22 H new ATOM 0 HA THR B 59 -6.160 -5.773 7.523 1.00 52.44 H new ATOM 0 HB THR B 59 -4.027 -4.864 8.087 1.00 44.43 H new ATOM 0 HG1 THR B 59 -3.227 -7.418 8.039 1.00 51.34 H new ATOM 0 HG21 THR B 59 -4.219 -5.281 10.571 1.00 1.05 H new ATOM 0 HG22 THR B 59 -5.818 -5.065 9.820 1.00 1.05 H new ATOM 0 HG23 THR B 59 -5.242 -6.697 10.232 1.00 1.05 H new ATOM 1488 N ALA B 60 -4.908 -5.351 5.305 1.00 22.12 N ATOM 1489 CA ALA B 60 -4.510 -5.252 3.903 1.00 33.21 C ATOM 1490 C ALA B 60 -4.303 -3.789 3.538 1.00 40.52 C ATOM 1491 O ALA B 60 -4.592 -2.894 4.337 1.00 62.21 O ATOM 1492 CB ALA B 60 -5.601 -5.837 2.990 1.00 34.02 C ATOM 0 H ALA B 60 -5.242 -4.470 5.696 1.00 22.12 H new ATOM 0 HA ALA B 60 -3.586 -5.813 3.765 1.00 33.21 H new ATOM 0 HB1 ALA B 60 -5.287 -5.755 1.949 1.00 34.02 H new ATOM 0 HB2 ALA B 60 -5.760 -6.886 3.239 1.00 34.02 H new ATOM 0 HB3 ALA B 60 -6.530 -5.285 3.134 1.00 34.02 H new ATOM 1498 N TYR B 61 -3.838 -3.554 2.313 1.00 62.51 N ATOM 1499 CA TYR B 61 -3.599 -2.227 1.782 1.00 73.11 C ATOM 1500 C TYR B 61 -4.161 -2.170 0.364 1.00 33.55 C ATOM 1501 O TYR B 61 -3.999 -3.128 -0.404 1.00 5.03 O ATOM 1502 CB TYR B 61 -2.100 -1.909 1.761 1.00 1.41 C ATOM 1503 CG TYR B 61 -1.424 -1.721 3.103 1.00 32.23 C ATOM 1504 CD1 TYR B 61 -1.381 -0.446 3.700 1.00 61.33 C ATOM 1505 CD2 TYR B 61 -0.750 -2.799 3.708 1.00 3.25 C ATOM 1506 CE1 TYR B 61 -0.644 -0.242 4.881 1.00 61.34 C ATOM 1507 CE2 TYR B 61 -0.032 -2.605 4.900 1.00 40.03 C ATOM 1508 CZ TYR B 61 0.038 -1.321 5.486 1.00 63.24 C ATOM 1509 OH TYR B 61 0.763 -1.133 6.623 1.00 55.33 O ATOM 0 H TYR B 61 -3.615 -4.300 1.654 1.00 62.51 H new ATOM 0 HA TYR B 61 -4.089 -1.488 2.416 1.00 73.11 H new ATOM 0 HB2 TYR B 61 -1.589 -2.714 1.233 1.00 1.41 H new ATOM 0 HB3 TYR B 61 -1.953 -1.001 1.176 1.00 1.41 H new ATOM 0 HD1 TYR B 61 -1.915 0.378 3.250 1.00 61.33 H new ATOM 0 HD2 TYR B 61 -0.785 -3.778 3.254 1.00 3.25 H new ATOM 0 HE1 TYR B 61 -0.600 0.741 5.326 1.00 61.34 H new ATOM 0 HE2 TYR B 61 0.468 -3.439 5.370 1.00 40.03 H new ATOM 0 HH TYR B 61 1.164 -1.983 6.900 1.00 55.33 H new ATOM 1518 N VAL B 62 -4.763 -1.048 -0.016 1.00 63.13 N ATOM 1519 CA VAL B 62 -5.342 -0.806 -1.334 1.00 4.51 C ATOM 1520 C VAL B 62 -4.731 0.515 -1.815 1.00 24.44 C ATOM 1521 O VAL B 62 -4.431 1.379 -0.987 1.00 50.21 O ATOM 1522 CB VAL B 62 -6.884 -0.753 -1.210 1.00 34.05 C ATOM 1523 CG1 VAL B 62 -7.573 -0.468 -2.552 1.00 70.45 C ATOM 1524 CG2 VAL B 62 -7.438 -2.078 -0.653 1.00 1.22 C ATOM 0 H VAL B 62 -4.865 -0.250 0.611 1.00 63.13 H new ATOM 0 HA VAL B 62 -5.125 -1.594 -2.056 1.00 4.51 H new ATOM 0 HB VAL B 62 -7.101 0.066 -0.525 1.00 34.05 H new ATOM 0 HG11 VAL B 62 -8.653 -0.442 -2.408 1.00 70.45 H new ATOM 0 HG12 VAL B 62 -7.235 0.494 -2.938 1.00 70.45 H new ATOM 0 HG13 VAL B 62 -7.321 -1.254 -3.264 1.00 70.45 H new ATOM 0 HG21 VAL B 62 -8.523 -2.015 -0.576 1.00 1.22 H new ATOM 0 HG22 VAL B 62 -7.169 -2.895 -1.323 1.00 1.22 H new ATOM 0 HG23 VAL B 62 -7.014 -2.263 0.334 1.00 1.22 H new ATOM 1534 N VAL B 63 -4.519 0.684 -3.121 1.00 13.30 N ATOM 1535 CA VAL B 63 -3.957 1.909 -3.678 1.00 62.15 C ATOM 1536 C VAL B 63 -4.913 2.376 -4.774 1.00 62.21 C ATOM 1537 O VAL B 63 -5.414 1.543 -5.534 1.00 42.40 O ATOM 1538 CB VAL B 63 -2.515 1.659 -4.178 1.00 11.35 C ATOM 1539 CG1 VAL B 63 -1.814 2.967 -4.572 1.00 74.25 C ATOM 1540 CG2 VAL B 63 -1.658 0.987 -3.097 1.00 3.30 C ATOM 0 H VAL B 63 -4.733 -0.027 -3.820 1.00 13.30 H new ATOM 0 HA VAL B 63 -3.868 2.698 -2.931 1.00 62.15 H new ATOM 0 HB VAL B 63 -2.608 1.009 -5.048 1.00 11.35 H new ATOM 0 HG11 VAL B 63 -0.804 2.748 -4.918 1.00 74.25 H new ATOM 0 HG12 VAL B 63 -2.374 3.453 -5.371 1.00 74.25 H new ATOM 0 HG13 VAL B 63 -1.766 3.629 -3.707 1.00 74.25 H new ATOM 0 HG21 VAL B 63 -0.650 0.825 -3.480 1.00 3.30 H new ATOM 0 HG22 VAL B 63 -1.613 1.629 -2.217 1.00 3.30 H new ATOM 0 HG23 VAL B 63 -2.101 0.029 -2.825 1.00 3.30 H new ATOM 1550 N TYR B 64 -5.145 3.684 -4.869 1.00 51.10 N ATOM 1551 CA TYR B 64 -6.023 4.323 -5.846 1.00 51.45 C ATOM 1552 C TYR B 64 -5.202 5.113 -6.867 1.00 70.34 C ATOM 1553 O TYR B 64 -3.983 5.285 -6.718 1.00 43.42 O ATOM 1554 CB TYR B 64 -7.078 5.174 -5.129 1.00 51.14 C ATOM 1555 CG TYR B 64 -8.278 4.355 -4.688 1.00 42.42 C ATOM 1556 CD1 TYR B 64 -9.346 4.145 -5.582 1.00 60.34 C ATOM 1557 CD2 TYR B 64 -8.305 3.760 -3.412 1.00 42.00 C ATOM 1558 CE1 TYR B 64 -10.429 3.326 -5.217 1.00 52.43 C ATOM 1559 CE2 TYR B 64 -9.394 2.954 -3.035 1.00 12.52 C ATOM 1560 CZ TYR B 64 -10.456 2.728 -3.940 1.00 11.24 C ATOM 1561 OH TYR B 64 -11.492 1.931 -3.563 1.00 21.41 O ATOM 0 H TYR B 64 -4.707 4.356 -4.239 1.00 51.10 H new ATOM 0 HA TYR B 64 -6.563 3.562 -6.409 1.00 51.45 H new ATOM 0 HB2 TYR B 64 -6.627 5.650 -4.259 1.00 51.14 H new ATOM 0 HB3 TYR B 64 -7.410 5.972 -5.793 1.00 51.14 H new ATOM 0 HD1 TYR B 64 -9.333 4.616 -6.554 1.00 60.34 H new ATOM 0 HD2 TYR B 64 -7.489 3.923 -2.723 1.00 42.00 H new ATOM 0 HE1 TYR B 64 -11.238 3.155 -5.912 1.00 52.43 H new ATOM 0 HE2 TYR B 64 -9.419 2.507 -2.052 1.00 12.52 H new ATOM 0 HH TYR B 64 -11.944 1.584 -4.360 1.00 21.41 H new ATOM 1570 N GLU B 65 -5.859 5.501 -7.958 1.00 60.43 N ATOM 1571 CA GLU B 65 -5.255 6.242 -9.055 1.00 55.12 C ATOM 1572 C GLU B 65 -4.991 7.691 -8.643 1.00 51.04 C ATOM 1573 O GLU B 65 -3.853 8.169 -8.725 1.00 21.11 O ATOM 1574 CB GLU B 65 -6.134 6.153 -10.314 1.00 70.35 C ATOM 1575 CG GLU B 65 -6.404 4.686 -10.688 1.00 51.20 C ATOM 1576 CD GLU B 65 -6.845 4.493 -12.140 1.00 0.44 C ATOM 1577 OE1 GLU B 65 -7.447 5.407 -12.747 1.00 62.23 O ATOM 1578 OE2 GLU B 65 -6.492 3.430 -12.705 1.00 12.31 O ATOM 0 H GLU B 65 -6.849 5.303 -8.104 1.00 60.43 H new ATOM 0 HA GLU B 65 -4.292 5.792 -9.297 1.00 55.12 H new ATOM 0 HB2 GLU B 65 -7.079 6.669 -10.141 1.00 70.35 H new ATOM 0 HB3 GLU B 65 -5.641 6.660 -11.144 1.00 70.35 H new ATOM 0 HG2 GLU B 65 -5.500 4.103 -10.512 1.00 51.20 H new ATOM 0 HG3 GLU B 65 -7.174 4.288 -10.028 1.00 51.20 H new ATOM 1583 N ASP B 66 -6.021 8.391 -8.183 1.00 42.13 N ATOM 1584 CA ASP B 66 -5.944 9.779 -7.752 1.00 55.31 C ATOM 1585 C ASP B 66 -6.172 9.835 -6.243 1.00 3.41 C ATOM 1586 O ASP B 66 -6.307 8.818 -5.561 1.00 73.05 O ATOM 1587 CB ASP B 66 -6.923 10.661 -8.557 1.00 3.12 C ATOM 1588 CG ASP B 66 -6.385 11.129 -9.913 1.00 0.12 C ATOM 1589 OD1 ASP B 66 -5.244 10.807 -10.326 1.00 32.42 O ATOM 1590 OD2 ASP B 66 -7.114 11.872 -10.608 1.00 15.41 O ATOM 0 H ASP B 66 -6.958 7.997 -8.098 1.00 42.13 H new ATOM 0 HA ASP B 66 -4.954 10.188 -7.954 1.00 55.31 H new ATOM 0 HB2 ASP B 66 -7.846 10.104 -8.719 1.00 3.12 H new ATOM 0 HB3 ASP B 66 -7.179 11.536 -7.960 1.00 3.12 H new ATOM 1594 N ILE B 67 -6.084 11.035 -5.676 1.00 23.33 N ATOM 1595 CA ILE B 67 -6.296 11.256 -4.250 1.00 52.20 C ATOM 1596 C ILE B 67 -7.750 11.669 -3.989 1.00 11.34 C ATOM 1597 O ILE B 67 -8.284 11.457 -2.903 1.00 51.42 O ATOM 1598 CB ILE B 67 -5.229 12.235 -3.703 1.00 5.32 C ATOM 1599 CG1 ILE B 67 -5.550 12.692 -2.267 1.00 31.13 C ATOM 1600 CG2 ILE B 67 -5.037 13.453 -4.630 1.00 3.22 C ATOM 1601 CD1 ILE B 67 -4.356 13.293 -1.517 1.00 34.34 C ATOM 0 H ILE B 67 -5.863 11.884 -6.195 1.00 23.33 H new ATOM 0 HA ILE B 67 -6.156 10.331 -3.690 1.00 52.20 H new ATOM 0 HB ILE B 67 -4.289 11.684 -3.676 1.00 5.32 H new ATOM 0 HG12 ILE B 67 -6.351 13.430 -2.303 1.00 31.13 H new ATOM 0 HG13 ILE B 67 -5.928 11.840 -1.702 1.00 31.13 H new ATOM 0 HG21 ILE B 67 -4.280 14.115 -4.209 1.00 3.22 H new ATOM 0 HG22 ILE B 67 -4.716 13.114 -5.615 1.00 3.22 H new ATOM 0 HG23 ILE B 67 -5.980 13.992 -4.722 1.00 3.22 H new ATOM 0 HD11 ILE B 67 -4.667 13.589 -0.515 1.00 34.34 H new ATOM 0 HD12 ILE B 67 -3.560 12.551 -1.446 1.00 34.34 H new ATOM 0 HD13 ILE B 67 -3.990 14.167 -2.056 1.00 34.34 H new ATOM 1612 N PHE B 68 -8.419 12.239 -4.990 1.00 43.41 N ATOM 1613 CA PHE B 68 -9.795 12.694 -4.886 1.00 62.45 C ATOM 1614 C PHE B 68 -10.746 11.520 -4.673 1.00 61.32 C ATOM 1615 O PHE B 68 -11.520 11.522 -3.714 1.00 54.52 O ATOM 1616 CB PHE B 68 -10.140 13.508 -6.138 1.00 32.20 C ATOM 1617 CG PHE B 68 -9.072 14.517 -6.525 1.00 40.04 C ATOM 1618 CD1 PHE B 68 -8.478 15.361 -5.564 1.00 51.05 C ATOM 1619 CD2 PHE B 68 -8.620 14.562 -7.854 1.00 51.13 C ATOM 1620 CE1 PHE B 68 -7.446 16.240 -5.936 1.00 53.40 C ATOM 1621 CE2 PHE B 68 -7.618 15.464 -8.234 1.00 43.43 C ATOM 1622 CZ PHE B 68 -7.029 16.300 -7.276 1.00 54.25 C ATOM 0 H PHE B 68 -8.008 12.398 -5.910 1.00 43.41 H new ATOM 0 HA PHE B 68 -9.910 13.337 -4.013 1.00 62.45 H new ATOM 0 HB2 PHE B 68 -10.301 12.825 -6.972 1.00 32.20 H new ATOM 0 HB3 PHE B 68 -11.080 14.034 -5.971 1.00 32.20 H new ATOM 0 HD1 PHE B 68 -8.817 15.332 -4.539 1.00 51.05 H new ATOM 0 HD2 PHE B 68 -9.048 13.896 -8.589 1.00 51.13 H new ATOM 0 HE1 PHE B 68 -6.975 16.867 -5.194 1.00 53.40 H new ATOM 0 HE2 PHE B 68 -7.300 15.515 -9.265 1.00 43.43 H new ATOM 0 HZ PHE B 68 -6.253 16.992 -7.568 1.00 54.25 H new ATOM 1631 N ASP B 69 -10.689 10.536 -5.570 1.00 42.20 N ATOM 1632 CA ASP B 69 -11.517 9.339 -5.524 1.00 21.01 C ATOM 1633 C ASP B 69 -11.143 8.486 -4.318 1.00 4.23 C ATOM 1634 O ASP B 69 -12.041 7.940 -3.673 1.00 44.11 O ATOM 1635 CB ASP B 69 -11.446 8.551 -6.840 1.00 50.24 C ATOM 1636 CG ASP B 69 -10.094 7.906 -7.155 1.00 4.41 C ATOM 1637 OD1 ASP B 69 -9.060 8.538 -6.856 1.00 51.04 O ATOM 1638 OD2 ASP B 69 -10.126 6.832 -7.796 1.00 53.15 O ATOM 0 H ASP B 69 -10.050 10.553 -6.365 1.00 42.20 H new ATOM 0 HA ASP B 69 -12.557 9.642 -5.406 1.00 21.01 H new ATOM 0 HB2 ASP B 69 -12.204 7.768 -6.815 1.00 50.24 H new ATOM 0 HB3 ASP B 69 -11.707 9.222 -7.658 1.00 50.24 H new ATOM 1642 N ALA B 70 -9.856 8.442 -3.957 1.00 3.14 N ATOM 1643 CA ALA B 70 -9.368 7.695 -2.805 1.00 41.32 C ATOM 1644 C ALA B 70 -10.017 8.258 -1.535 1.00 74.51 C ATOM 1645 O ALA B 70 -10.560 7.507 -0.728 1.00 14.30 O ATOM 1646 CB ALA B 70 -7.845 7.806 -2.717 1.00 72.42 C ATOM 0 H ALA B 70 -9.120 8.931 -4.466 1.00 3.14 H new ATOM 0 HA ALA B 70 -9.631 6.642 -2.910 1.00 41.32 H new ATOM 0 HB1 ALA B 70 -7.489 7.245 -1.853 1.00 72.42 H new ATOM 0 HB2 ALA B 70 -7.398 7.399 -3.624 1.00 72.42 H new ATOM 0 HB3 ALA B 70 -7.562 8.853 -2.611 1.00 72.42 H new ATOM 1652 N LYS B 71 -9.981 9.586 -1.366 1.00 3.40 N ATOM 1653 CA LYS B 71 -10.570 10.269 -0.218 1.00 11.45 C ATOM 1654 C LYS B 71 -12.071 10.015 -0.185 1.00 11.01 C ATOM 1655 O LYS B 71 -12.600 9.717 0.881 1.00 4.32 O ATOM 1656 CB LYS B 71 -10.283 11.773 -0.283 1.00 44.12 C ATOM 1657 CG LYS B 71 -8.871 12.107 0.185 1.00 53.32 C ATOM 1658 CD LYS B 71 -8.461 13.563 -0.089 1.00 4.13 C ATOM 1659 CE LYS B 71 -9.433 14.599 0.490 1.00 30.13 C ATOM 1660 NZ LYS B 71 -10.434 15.086 -0.481 1.00 62.43 N ATOM 0 H LYS B 71 -9.537 10.218 -2.032 1.00 3.40 H new ATOM 0 HA LYS B 71 -10.123 9.877 0.695 1.00 11.45 H new ATOM 0 HB2 LYS B 71 -10.418 12.124 -1.306 1.00 44.12 H new ATOM 0 HB3 LYS B 71 -11.005 12.307 0.335 1.00 44.12 H new ATOM 0 HG2 LYS B 71 -8.796 11.912 1.255 1.00 53.32 H new ATOM 0 HG3 LYS B 71 -8.166 11.440 -0.311 1.00 53.32 H new ATOM 0 HD2 LYS B 71 -7.469 13.736 0.328 1.00 4.13 H new ATOM 0 HD3 LYS B 71 -8.384 13.713 -1.166 1.00 4.13 H new ATOM 0 HE2 LYS B 71 -9.951 14.160 1.343 1.00 30.13 H new ATOM 0 HE3 LYS B 71 -8.862 15.448 0.866 1.00 30.13 H new ATOM 0 HZ1 LYS B 71 -11.255 15.469 0.030 1.00 62.43 H new ATOM 0 HZ2 LYS B 71 -10.012 15.833 -1.069 1.00 62.43 H new ATOM 0 HZ3 LYS B 71 -10.740 14.299 -1.088 1.00 62.43 H new ATOM 1670 N ASN B 72 -12.755 10.126 -1.328 1.00 44.22 N ATOM 1671 CA ASN B 72 -14.193 9.886 -1.390 1.00 31.34 C ATOM 1672 C ASN B 72 -14.503 8.490 -0.855 1.00 4.13 C ATOM 1673 O ASN B 72 -15.347 8.341 0.025 1.00 10.13 O ATOM 1674 CB ASN B 72 -14.726 10.021 -2.825 1.00 42.04 C ATOM 1675 CG ASN B 72 -15.130 11.434 -3.197 1.00 14.32 C ATOM 1676 OD1 ASN B 72 -14.502 12.088 -4.023 1.00 4.31 O ATOM 1677 ND2 ASN B 72 -16.201 11.942 -2.619 1.00 72.44 N ATOM 0 H ASN B 72 -12.333 10.381 -2.221 1.00 44.22 H new ATOM 0 HA ASN B 72 -14.688 10.638 -0.776 1.00 31.34 H new ATOM 0 HB2 ASN B 72 -13.961 9.677 -3.521 1.00 42.04 H new ATOM 0 HB3 ASN B 72 -15.587 9.363 -2.946 1.00 42.04 H new ATOM 0 HD21 ASN B 72 -16.511 12.884 -2.858 1.00 72.44 H new ATOM 0 HD22 ASN B 72 -16.719 11.393 -1.933 1.00 72.44 H new ATOM 1683 N ALA B 73 -13.821 7.471 -1.385 1.00 14.43 N ATOM 1684 CA ALA B 73 -14.028 6.097 -0.968 1.00 61.13 C ATOM 1685 C ALA B 73 -13.643 5.862 0.493 1.00 23.01 C ATOM 1686 O ALA B 73 -14.250 5.000 1.129 1.00 14.31 O ATOM 1687 CB ALA B 73 -13.236 5.154 -1.877 1.00 14.33 C ATOM 0 H ALA B 73 -13.114 7.583 -2.112 1.00 14.43 H new ATOM 0 HA ALA B 73 -15.095 5.890 -1.055 1.00 61.13 H new ATOM 0 HB1 ALA B 73 -13.395 4.124 -1.559 1.00 14.33 H new ATOM 0 HB2 ALA B 73 -13.573 5.272 -2.907 1.00 14.33 H new ATOM 0 HB3 ALA B 73 -12.175 5.394 -1.813 1.00 14.33 H new ATOM 1693 N CYS B 74 -12.647 6.574 1.037 1.00 65.52 N ATOM 1694 CA CYS B 74 -12.236 6.379 2.420 1.00 55.22 C ATOM 1695 C CYS B 74 -13.408 6.677 3.355 1.00 31.13 C ATOM 1696 O CYS B 74 -13.755 5.836 4.188 1.00 31.51 O ATOM 1697 CB CYS B 74 -10.916 7.111 2.742 1.00 1.21 C ATOM 1698 SG CYS B 74 -11.070 8.801 3.393 1.00 43.25 S ATOM 0 H CYS B 74 -12.117 7.287 0.536 1.00 65.52 H new ATOM 0 HA CYS B 74 -11.984 5.332 2.589 1.00 55.22 H new ATOM 0 HB2 CYS B 74 -10.362 6.514 3.467 1.00 1.21 H new ATOM 0 HB3 CYS B 74 -10.315 7.148 1.833 1.00 1.21 H new ATOM 0 HG CYS B 74 -11.729 9.534 2.546 1.00 43.25 H new ATOM 1703 N ASP B 75 -14.066 7.823 3.171 1.00 52.23 N ATOM 1704 CA ASP B 75 -15.179 8.205 4.023 1.00 51.25 C ATOM 1705 C ASP B 75 -16.409 7.349 3.744 1.00 4.35 C ATOM 1706 O ASP B 75 -17.012 6.865 4.705 1.00 51.22 O ATOM 1707 CB ASP B 75 -15.509 9.699 3.911 1.00 22.20 C ATOM 1708 CG ASP B 75 -14.419 10.634 4.443 1.00 61.22 C ATOM 1709 OD1 ASP B 75 -14.199 10.716 5.675 1.00 3.44 O ATOM 1710 OD2 ASP B 75 -13.818 11.366 3.623 1.00 43.23 O ATOM 0 H ASP B 75 -13.843 8.498 2.439 1.00 52.23 H new ATOM 0 HA ASP B 75 -14.867 8.023 5.051 1.00 51.25 H new ATOM 0 HB2 ASP B 75 -15.696 9.939 2.864 1.00 22.20 H new ATOM 0 HB3 ASP B 75 -16.434 9.895 4.453 1.00 22.20 H new ATOM 1714 N HIS B 76 -16.754 7.111 2.472 1.00 53.21 N ATOM 1715 CA HIS B 76 -17.919 6.305 2.100 1.00 34.34 C ATOM 1716 C HIS B 76 -17.840 4.868 2.624 1.00 72.51 C ATOM 1717 O HIS B 76 -18.882 4.257 2.867 1.00 12.22 O ATOM 1718 CB HIS B 76 -18.055 6.210 0.568 1.00 71.34 C ATOM 1719 CG HIS B 76 -18.453 7.466 -0.166 1.00 1.13 C ATOM 1720 ND1 HIS B 76 -18.041 7.820 -1.434 1.00 51.01 N ATOM 1721 CD2 HIS B 76 -19.380 8.390 0.237 1.00 33.35 C ATOM 1722 CE1 HIS B 76 -18.664 8.959 -1.766 1.00 63.21 C ATOM 1723 NE2 HIS B 76 -19.516 9.325 -0.798 1.00 3.04 N ATOM 0 H HIS B 76 -16.232 7.473 1.674 1.00 53.21 H new ATOM 0 HA HIS B 76 -18.774 6.811 2.548 1.00 34.34 H new ATOM 0 HB2 HIS B 76 -17.101 5.870 0.164 1.00 71.34 H new ATOM 0 HB3 HIS B 76 -18.790 5.438 0.341 1.00 71.34 H new ATOM 0 HD2 HIS B 76 -19.909 8.397 1.179 1.00 33.35 H new ATOM 0 HE1 HIS B 76 -18.502 9.505 -2.684 1.00 63.21 H new ATOM 0 HE2 HIS B 76 -20.143 10.130 -0.812 1.00 3.04 H new ATOM 1730 N LEU B 77 -16.630 4.312 2.771 1.00 30.23 N ATOM 1731 CA LEU B 77 -16.465 2.931 3.230 1.00 4.22 C ATOM 1732 C LEU B 77 -16.335 2.840 4.748 1.00 42.24 C ATOM 1733 O LEU B 77 -16.709 1.822 5.332 1.00 5.51 O ATOM 1734 CB LEU B 77 -15.262 2.302 2.507 1.00 72.20 C ATOM 1735 CG LEU B 77 -15.118 0.774 2.652 1.00 54.34 C ATOM 1736 CD1 LEU B 77 -16.318 -0.043 2.153 1.00 60.42 C ATOM 1737 CD2 LEU B 77 -13.883 0.317 1.863 1.00 41.21 C ATOM 0 H LEU B 77 -15.754 4.798 2.579 1.00 30.23 H new ATOM 0 HA LEU B 77 -17.363 2.367 2.979 1.00 4.22 H new ATOM 0 HB2 LEU B 77 -15.333 2.543 1.446 1.00 72.20 H new ATOM 0 HB3 LEU B 77 -14.352 2.771 2.880 1.00 72.20 H new ATOM 0 HG LEU B 77 -15.037 0.589 3.723 1.00 54.34 H new ATOM 0 HD11 LEU B 77 -16.120 -1.105 2.298 1.00 60.42 H new ATOM 0 HD12 LEU B 77 -17.209 0.240 2.713 1.00 60.42 H new ATOM 0 HD13 LEU B 77 -16.478 0.155 1.093 1.00 60.42 H new ATOM 0 HD21 LEU B 77 -13.770 -0.763 1.958 1.00 41.21 H new ATOM 0 HD22 LEU B 77 -14.006 0.578 0.812 1.00 41.21 H new ATOM 0 HD23 LEU B 77 -12.995 0.811 2.258 1.00 41.21 H new ATOM 1748 N SER B 78 -15.802 3.877 5.401 1.00 61.52 N ATOM 1749 CA SER B 78 -15.653 3.878 6.842 1.00 15.55 C ATOM 1750 C SER B 78 -17.049 3.844 7.478 1.00 30.01 C ATOM 1751 O SER B 78 -17.865 4.747 7.268 1.00 64.13 O ATOM 1752 CB SER B 78 -14.788 5.069 7.263 1.00 54.30 C ATOM 1753 OG SER B 78 -15.347 6.329 6.949 1.00 11.34 O ATOM 0 H SER B 78 -15.468 4.725 4.944 1.00 61.52 H new ATOM 0 HA SER B 78 -15.128 2.992 7.200 1.00 15.55 H new ATOM 0 HB2 SER B 78 -14.617 5.018 8.338 1.00 54.30 H new ATOM 0 HB3 SER B 78 -13.814 4.985 6.781 1.00 54.30 H new ATOM 0 HG SER B 78 -15.892 6.252 6.138 1.00 11.34 H new ATOM 1758 N GLY B 79 -17.344 2.794 8.247 1.00 13.24 N ATOM 1759 CA GLY B 79 -18.635 2.631 8.902 1.00 0.24 C ATOM 1760 C GLY B 79 -19.645 1.858 8.053 1.00 63.52 C ATOM 1761 O GLY B 79 -20.818 1.815 8.422 1.00 31.24 O ATOM 0 H GLY B 79 -16.690 2.033 8.431 1.00 13.24 H new ATOM 0 HA2 GLY B 79 -18.492 2.111 9.849 1.00 0.24 H new ATOM 0 HA3 GLY B 79 -19.043 3.614 9.137 1.00 0.24 H new ATOM 1765 N PHE B 80 -19.240 1.245 6.935 1.00 14.05 N ATOM 1766 CA PHE B 80 -20.134 0.454 6.095 1.00 64.12 C ATOM 1767 C PHE B 80 -20.320 -0.894 6.810 1.00 32.41 C ATOM 1768 O PHE B 80 -19.354 -1.649 6.963 1.00 13.33 O ATOM 1769 CB PHE B 80 -19.530 0.282 4.694 1.00 72.02 C ATOM 1770 CG PHE B 80 -20.402 -0.519 3.745 1.00 22.22 C ATOM 1771 CD1 PHE B 80 -21.746 -0.159 3.532 1.00 1.24 C ATOM 1772 CD2 PHE B 80 -19.881 -1.655 3.101 1.00 62.14 C ATOM 1773 CE1 PHE B 80 -22.571 -0.956 2.721 1.00 51.33 C ATOM 1774 CE2 PHE B 80 -20.704 -2.447 2.280 1.00 33.53 C ATOM 1775 CZ PHE B 80 -22.054 -2.104 2.102 1.00 22.20 C ATOM 0 H PHE B 80 -18.281 1.286 6.590 1.00 14.05 H new ATOM 0 HA PHE B 80 -21.099 0.941 5.955 1.00 64.12 H new ATOM 0 HB2 PHE B 80 -19.350 1.267 4.263 1.00 72.02 H new ATOM 0 HB3 PHE B 80 -18.561 -0.209 4.784 1.00 72.02 H new ATOM 0 HD1 PHE B 80 -22.144 0.733 3.993 1.00 1.24 H new ATOM 0 HD2 PHE B 80 -18.843 -1.921 3.237 1.00 62.14 H new ATOM 0 HE1 PHE B 80 -23.606 -0.684 2.574 1.00 51.33 H new ATOM 0 HE2 PHE B 80 -20.298 -3.318 1.787 1.00 33.53 H new ATOM 0 HZ PHE B 80 -22.693 -2.723 1.490 1.00 22.20 H new ATOM 1784 N ASN B 81 -21.510 -1.159 7.343 1.00 13.42 N ATOM 1785 CA ASN B 81 -21.853 -2.381 8.067 1.00 33.23 C ATOM 1786 C ASN B 81 -21.794 -3.600 7.145 1.00 61.05 C ATOM 1787 O ASN B 81 -22.507 -3.640 6.141 1.00 13.21 O ATOM 1788 CB ASN B 81 -23.267 -2.235 8.648 1.00 70.32 C ATOM 1789 CG ASN B 81 -23.717 -3.482 9.392 1.00 20.31 C ATOM 1790 OD1 ASN B 81 -24.480 -4.284 8.861 1.00 63.30 O ATOM 1791 ND2 ASN B 81 -23.306 -3.662 10.635 1.00 1.52 N ATOM 0 H ASN B 81 -22.290 -0.505 7.281 1.00 13.42 H new ATOM 0 HA ASN B 81 -21.131 -2.531 8.870 1.00 33.23 H new ATOM 0 HB2 ASN B 81 -23.293 -1.381 9.325 1.00 70.32 H new ATOM 0 HB3 ASN B 81 -23.969 -2.023 7.841 1.00 70.32 H new ATOM 0 HD21 ASN B 81 -23.623 -4.474 11.164 1.00 1.52 H new ATOM 0 HD22 ASN B 81 -22.672 -2.989 11.065 1.00 1.52 H new ATOM 1797 N VAL B 82 -20.972 -4.599 7.477 1.00 35.30 N ATOM 1798 CA VAL B 82 -20.827 -5.823 6.688 1.00 61.43 C ATOM 1799 C VAL B 82 -20.716 -7.001 7.647 1.00 30.11 C ATOM 1800 O VAL B 82 -20.043 -6.868 8.665 1.00 61.34 O ATOM 1801 CB VAL B 82 -19.590 -5.748 5.767 1.00 53.14 C ATOM 1802 CG1 VAL B 82 -19.866 -4.846 4.561 1.00 53.24 C ATOM 1803 CG2 VAL B 82 -18.305 -5.248 6.458 1.00 73.23 C ATOM 0 H VAL B 82 -20.383 -4.580 8.310 1.00 35.30 H new ATOM 0 HA VAL B 82 -21.698 -5.948 6.045 1.00 61.43 H new ATOM 0 HB VAL B 82 -19.413 -6.779 5.461 1.00 53.14 H new ATOM 0 HG11 VAL B 82 -18.981 -4.807 3.925 1.00 53.24 H new ATOM 0 HG12 VAL B 82 -20.705 -5.246 3.992 1.00 53.24 H new ATOM 0 HG13 VAL B 82 -20.109 -3.841 4.906 1.00 53.24 H new ATOM 0 HG21 VAL B 82 -17.488 -5.228 5.736 1.00 73.23 H new ATOM 0 HG22 VAL B 82 -18.469 -4.244 6.849 1.00 73.23 H new ATOM 0 HG23 VAL B 82 -18.048 -5.919 7.278 1.00 73.23 H new ATOM 1813 N CYS B 83 -21.384 -8.125 7.364 1.00 4.41 N ATOM 1814 CA CYS B 83 -21.394 -9.358 8.164 1.00 11.21 C ATOM 1815 C CYS B 83 -21.418 -9.106 9.689 1.00 73.44 C ATOM 1816 O CYS B 83 -20.777 -9.844 10.444 1.00 30.22 O ATOM 1817 CB CYS B 83 -20.182 -10.230 7.779 1.00 71.25 C ATOM 1818 SG CYS B 83 -20.048 -10.496 5.986 1.00 53.41 S ATOM 0 H CYS B 83 -21.963 -8.205 6.528 1.00 4.41 H new ATOM 0 HA CYS B 83 -22.323 -9.880 7.934 1.00 11.21 H new ATOM 0 HB2 CYS B 83 -19.270 -9.756 8.141 1.00 71.25 H new ATOM 0 HB3 CYS B 83 -20.260 -11.195 8.280 1.00 71.25 H new ATOM 0 HG CYS B 83 -19.008 -11.234 5.733 1.00 53.41 H new ATOM 1823 N ASN B 84 -22.165 -8.099 10.161 1.00 22.33 N ATOM 1824 CA ASN B 84 -22.268 -7.707 11.574 1.00 61.23 C ATOM 1825 C ASN B 84 -20.884 -7.374 12.160 1.00 0.31 C ATOM 1826 O ASN B 84 -20.541 -7.760 13.283 1.00 73.23 O ATOM 1827 CB ASN B 84 -23.037 -8.736 12.425 1.00 55.21 C ATOM 1828 CG ASN B 84 -24.526 -8.825 12.127 1.00 3.31 C ATOM 1829 OD1 ASN B 84 -25.095 -7.981 11.442 1.00 10.43 O ATOM 1830 ND2 ASN B 84 -25.185 -9.833 12.669 1.00 3.11 N ATOM 0 H ASN B 84 -22.734 -7.514 9.549 1.00 22.33 H new ATOM 0 HA ASN B 84 -22.865 -6.795 11.610 1.00 61.23 H new ATOM 0 HB2 ASN B 84 -22.591 -9.719 12.272 1.00 55.21 H new ATOM 0 HB3 ASN B 84 -22.906 -8.486 13.478 1.00 55.21 H new ATOM 0 HD21 ASN B 84 -26.190 -9.923 12.522 1.00 3.11 H new ATOM 0 HD22 ASN B 84 -24.689 -10.522 13.234 1.00 3.11 H new ATOM 1836 N ARG B 85 -20.058 -6.654 11.403 1.00 32.52 N ATOM 1837 CA ARG B 85 -18.711 -6.190 11.726 1.00 74.54 C ATOM 1838 C ARG B 85 -18.541 -4.800 11.114 1.00 42.24 C ATOM 1839 O ARG B 85 -19.385 -4.338 10.340 1.00 51.45 O ATOM 1840 CB ARG B 85 -17.640 -7.152 11.181 1.00 22.10 C ATOM 1841 CG ARG B 85 -17.709 -8.559 11.795 1.00 65.54 C ATOM 1842 CD ARG B 85 -16.376 -9.307 11.686 1.00 53.25 C ATOM 1843 NE ARG B 85 -15.933 -9.505 10.293 1.00 30.25 N ATOM 1844 CZ ARG B 85 -14.684 -9.793 9.913 1.00 65.25 C ATOM 1845 NH1 ARG B 85 -13.694 -9.814 10.802 1.00 62.40 N ATOM 1846 NH2 ARG B 85 -14.408 -10.068 8.644 1.00 44.44 N ATOM 0 H ARG B 85 -20.338 -6.355 10.469 1.00 32.52 H new ATOM 0 HA ARG B 85 -18.583 -6.153 12.808 1.00 74.54 H new ATOM 0 HB2 ARG B 85 -17.750 -7.231 10.099 1.00 22.10 H new ATOM 0 HB3 ARG B 85 -16.653 -6.730 11.371 1.00 22.10 H new ATOM 0 HG2 ARG B 85 -17.995 -8.482 12.844 1.00 65.54 H new ATOM 0 HG3 ARG B 85 -18.488 -9.134 11.294 1.00 65.54 H new ATOM 0 HD2 ARG B 85 -15.610 -8.753 12.229 1.00 53.25 H new ATOM 0 HD3 ARG B 85 -16.471 -10.278 12.172 1.00 53.25 H new ATOM 0 HE ARG B 85 -16.637 -9.415 9.560 1.00 30.25 H new ATOM 0 HH11 ARG B 85 -13.885 -9.609 11.783 1.00 62.40 H new ATOM 0 HH12 ARG B 85 -12.744 -10.035 10.503 1.00 62.40 H new ATOM 0 HH21 ARG B 85 -15.153 -10.061 7.947 1.00 44.44 H new ATOM 0 HH22 ARG B 85 -13.451 -10.286 8.366 1.00 44.44 H new ATOM 1857 N TYR B 86 -17.435 -4.145 11.462 1.00 34.24 N ATOM 1858 CA TYR B 86 -17.078 -2.815 11.006 1.00 3.22 C ATOM 1859 C TYR B 86 -15.614 -2.813 10.557 1.00 11.44 C ATOM 1860 O TYR B 86 -14.743 -3.396 11.223 1.00 62.41 O ATOM 1861 CB TYR B 86 -17.329 -1.796 12.124 1.00 54.43 C ATOM 1862 CG TYR B 86 -18.666 -1.935 12.834 1.00 70.14 C ATOM 1863 CD1 TYR B 86 -19.831 -1.364 12.287 1.00 24.03 C ATOM 1864 CD2 TYR B 86 -18.749 -2.650 14.044 1.00 13.22 C ATOM 1865 CE1 TYR B 86 -21.055 -1.478 12.966 1.00 12.42 C ATOM 1866 CE2 TYR B 86 -19.960 -2.734 14.746 1.00 53.13 C ATOM 1867 CZ TYR B 86 -21.120 -2.137 14.212 1.00 63.30 C ATOM 1868 OH TYR B 86 -22.286 -2.190 14.902 1.00 13.10 O ATOM 0 H TYR B 86 -16.741 -4.546 12.093 1.00 34.24 H new ATOM 0 HA TYR B 86 -17.697 -2.530 10.155 1.00 3.22 H new ATOM 0 HB2 TYR B 86 -16.532 -1.886 12.862 1.00 54.43 H new ATOM 0 HB3 TYR B 86 -17.261 -0.793 11.702 1.00 54.43 H new ATOM 0 HD1 TYR B 86 -19.783 -0.838 11.345 1.00 24.03 H new ATOM 0 HD2 TYR B 86 -17.870 -3.139 14.436 1.00 13.22 H new ATOM 0 HE1 TYR B 86 -21.951 -1.059 12.532 1.00 12.42 H new ATOM 0 HE2 TYR B 86 -20.004 -3.254 15.692 1.00 53.13 H new ATOM 0 HH TYR B 86 -22.149 -2.683 15.738 1.00 13.10 H new ATOM 1877 N LEU B 87 -15.361 -2.156 9.426 1.00 12.31 N ATOM 1878 CA LEU B 87 -14.080 -2.004 8.755 1.00 24.32 C ATOM 1879 C LEU B 87 -13.458 -0.660 9.110 1.00 44.32 C ATOM 1880 O LEU B 87 -14.020 0.390 8.798 1.00 22.04 O ATOM 1881 CB LEU B 87 -14.283 -2.036 7.230 1.00 24.31 C ATOM 1882 CG LEU B 87 -14.926 -3.313 6.664 1.00 43.13 C ATOM 1883 CD1 LEU B 87 -15.479 -3.015 5.263 1.00 24.52 C ATOM 1884 CD2 LEU B 87 -13.905 -4.453 6.611 1.00 70.51 C ATOM 0 H LEU B 87 -16.108 -1.681 8.919 1.00 12.31 H new ATOM 0 HA LEU B 87 -13.430 -2.819 9.074 1.00 24.32 H new ATOM 0 HB2 LEU B 87 -14.903 -1.185 6.948 1.00 24.31 H new ATOM 0 HB3 LEU B 87 -13.314 -1.898 6.751 1.00 24.31 H new ATOM 0 HG LEU B 87 -15.741 -3.628 7.315 1.00 43.13 H new ATOM 0 HD11 LEU B 87 -15.937 -3.915 4.854 1.00 24.52 H new ATOM 0 HD12 LEU B 87 -16.227 -2.225 5.328 1.00 24.52 H new ATOM 0 HD13 LEU B 87 -14.666 -2.693 4.612 1.00 24.52 H new ATOM 0 HD21 LEU B 87 -14.379 -5.348 6.208 1.00 70.51 H new ATOM 0 HD22 LEU B 87 -13.071 -4.165 5.971 1.00 70.51 H new ATOM 0 HD23 LEU B 87 -13.537 -4.659 7.616 1.00 70.51 H new ATOM 1895 N VAL B 88 -12.316 -0.678 9.792 1.00 14.52 N ATOM 1896 CA VAL B 88 -11.621 0.550 10.159 1.00 64.24 C ATOM 1897 C VAL B 88 -10.770 0.939 8.942 1.00 11.54 C ATOM 1898 O VAL B 88 -10.035 0.103 8.401 1.00 61.33 O ATOM 1899 CB VAL B 88 -10.806 0.346 11.452 1.00 45.35 C ATOM 1900 CG1 VAL B 88 -10.029 1.606 11.847 1.00 24.23 C ATOM 1901 CG2 VAL B 88 -11.728 -0.054 12.619 1.00 65.14 C ATOM 0 H VAL B 88 -11.852 -1.532 10.102 1.00 14.52 H new ATOM 0 HA VAL B 88 -12.306 1.365 10.392 1.00 64.24 H new ATOM 0 HB VAL B 88 -10.093 -0.453 11.248 1.00 45.35 H new ATOM 0 HG11 VAL B 88 -9.470 1.416 12.763 1.00 24.23 H new ATOM 0 HG12 VAL B 88 -9.337 1.872 11.048 1.00 24.23 H new ATOM 0 HG13 VAL B 88 -10.727 2.427 12.011 1.00 24.23 H new ATOM 0 HG21 VAL B 88 -11.133 -0.193 13.522 1.00 65.14 H new ATOM 0 HG22 VAL B 88 -12.464 0.732 12.787 1.00 65.14 H new ATOM 0 HG23 VAL B 88 -12.240 -0.985 12.375 1.00 65.14 H new ATOM 1911 N VAL B 89 -10.883 2.194 8.512 1.00 3.24 N ATOM 1912 CA VAL B 89 -10.180 2.797 7.384 1.00 74.13 C ATOM 1913 C VAL B 89 -9.201 3.818 7.980 1.00 13.13 C ATOM 1914 O VAL B 89 -9.569 4.528 8.917 1.00 11.20 O ATOM 1915 CB VAL B 89 -11.234 3.454 6.459 1.00 33.12 C ATOM 1916 CG1 VAL B 89 -10.632 4.183 5.255 1.00 10.34 C ATOM 1917 CG2 VAL B 89 -12.238 2.420 5.909 1.00 3.45 C ATOM 0 H VAL B 89 -11.507 2.857 8.971 1.00 3.24 H new ATOM 0 HA VAL B 89 -9.622 2.078 6.784 1.00 74.13 H new ATOM 0 HB VAL B 89 -11.731 4.181 7.101 1.00 33.12 H new ATOM 0 HG11 VAL B 89 -11.432 4.617 4.655 1.00 10.34 H new ATOM 0 HG12 VAL B 89 -9.969 4.975 5.603 1.00 10.34 H new ATOM 0 HG13 VAL B 89 -10.065 3.477 4.648 1.00 10.34 H new ATOM 0 HG21 VAL B 89 -12.960 2.921 5.265 1.00 3.45 H new ATOM 0 HG22 VAL B 89 -11.703 1.663 5.335 1.00 3.45 H new ATOM 0 HG23 VAL B 89 -12.761 1.944 6.738 1.00 3.45 H new ATOM 1927 N LEU B 90 -7.961 3.879 7.486 1.00 53.11 N ATOM 1928 CA LEU B 90 -6.924 4.800 7.946 1.00 75.45 C ATOM 1929 C LEU B 90 -5.920 5.040 6.809 1.00 25.44 C ATOM 1930 O LEU B 90 -5.635 4.122 6.031 1.00 62.42 O ATOM 1931 CB LEU B 90 -6.242 4.178 9.178 1.00 63.30 C ATOM 1932 CG LEU B 90 -5.120 5.028 9.798 1.00 11.43 C ATOM 1933 CD1 LEU B 90 -5.616 6.394 10.291 1.00 41.44 C ATOM 1934 CD2 LEU B 90 -4.503 4.264 10.973 1.00 3.32 C ATOM 0 H LEU B 90 -7.644 3.269 6.732 1.00 53.11 H new ATOM 0 HA LEU B 90 -7.349 5.764 8.226 1.00 75.45 H new ATOM 0 HB2 LEU B 90 -7.000 3.993 9.939 1.00 63.30 H new ATOM 0 HB3 LEU B 90 -5.830 3.209 8.896 1.00 63.30 H new ATOM 0 HG LEU B 90 -4.381 5.212 9.018 1.00 11.43 H new ATOM 0 HD11 LEU B 90 -4.782 6.951 10.719 1.00 41.44 H new ATOM 0 HD12 LEU B 90 -6.034 6.953 9.454 1.00 41.44 H new ATOM 0 HD13 LEU B 90 -6.384 6.250 11.051 1.00 41.44 H new ATOM 0 HD21 LEU B 90 -3.707 4.861 11.417 1.00 3.32 H new ATOM 0 HD22 LEU B 90 -5.270 4.067 11.722 1.00 3.32 H new ATOM 0 HD23 LEU B 90 -4.093 3.319 10.617 1.00 3.32 H new ATOM 1945 N TYR B 91 -5.388 6.255 6.678 1.00 23.13 N ATOM 1946 CA TYR B 91 -4.413 6.590 5.641 1.00 11.23 C ATOM 1947 C TYR B 91 -3.046 5.999 5.967 1.00 4.12 C ATOM 1948 O TYR B 91 -2.727 5.737 7.134 1.00 45.23 O ATOM 1949 CB TYR B 91 -4.208 8.113 5.548 1.00 13.51 C ATOM 1950 CG TYR B 91 -5.452 8.953 5.351 1.00 52.24 C ATOM 1951 CD1 TYR B 91 -6.375 8.623 4.342 1.00 74.35 C ATOM 1952 CD2 TYR B 91 -5.690 10.067 6.181 1.00 40.32 C ATOM 1953 CE1 TYR B 91 -7.529 9.398 4.161 1.00 15.34 C ATOM 1954 CE2 TYR B 91 -6.855 10.834 6.019 1.00 53.33 C ATOM 1955 CZ TYR B 91 -7.776 10.504 5.001 1.00 21.03 C ATOM 1956 OH TYR B 91 -8.897 11.240 4.815 1.00 12.11 O ATOM 0 H TYR B 91 -5.622 7.037 7.290 1.00 23.13 H new ATOM 0 HA TYR B 91 -4.806 6.187 4.708 1.00 11.23 H new ATOM 0 HB2 TYR B 91 -3.712 8.446 6.460 1.00 13.51 H new ATOM 0 HB3 TYR B 91 -3.526 8.315 4.722 1.00 13.51 H new ATOM 0 HD1 TYR B 91 -6.194 7.770 3.705 1.00 74.35 H new ATOM 0 HD2 TYR B 91 -4.974 10.332 6.945 1.00 40.32 H new ATOM 0 HE1 TYR B 91 -8.229 9.148 3.378 1.00 15.34 H new ATOM 0 HE2 TYR B 91 -7.046 11.674 6.671 1.00 53.33 H new ATOM 0 HH TYR B 91 -9.597 10.676 4.425 1.00 12.11 H new ATOM 1965 N TYR B 92 -2.230 5.789 4.937 1.00 4.14 N ATOM 1966 CA TYR B 92 -0.869 5.295 5.104 1.00 14.55 C ATOM 1967 C TYR B 92 -0.008 6.495 5.558 1.00 41.35 C ATOM 1968 O TYR B 92 -0.502 7.627 5.630 1.00 24.12 O ATOM 1969 CB TYR B 92 -0.394 4.720 3.769 1.00 44.34 C ATOM 1970 CG TYR B 92 1.035 4.221 3.742 1.00 21.14 C ATOM 1971 CD1 TYR B 92 1.426 3.131 4.544 1.00 1.13 C ATOM 1972 CD2 TYR B 92 1.987 4.876 2.938 1.00 1.45 C ATOM 1973 CE1 TYR B 92 2.764 2.699 4.543 1.00 43.32 C ATOM 1974 CE2 TYR B 92 3.322 4.444 2.923 1.00 64.13 C ATOM 1975 CZ TYR B 92 3.717 3.357 3.728 1.00 2.15 C ATOM 1976 OH TYR B 92 5.010 2.940 3.701 1.00 31.11 O ATOM 0 H TYR B 92 -2.494 5.956 3.966 1.00 4.14 H new ATOM 0 HA TYR B 92 -0.798 4.502 5.848 1.00 14.55 H new ATOM 0 HB2 TYR B 92 -1.053 3.896 3.494 1.00 44.34 H new ATOM 0 HB3 TYR B 92 -0.506 5.487 3.003 1.00 44.34 H new ATOM 0 HD1 TYR B 92 0.697 2.626 5.161 1.00 1.13 H new ATOM 0 HD2 TYR B 92 1.688 5.716 2.329 1.00 1.45 H new ATOM 0 HE1 TYR B 92 3.064 1.867 5.163 1.00 43.32 H new ATOM 0 HE2 TYR B 92 4.045 4.944 2.296 1.00 64.13 H new ATOM 0 HH TYR B 92 5.523 3.505 3.087 1.00 31.11 H new ATOM 1985 N ASN B 93 1.235 6.245 5.967 1.00 54.34 N ATOM 1986 CA ASN B 93 2.173 7.277 6.413 1.00 71.23 C ATOM 1987 C ASN B 93 2.957 7.800 5.214 1.00 2.02 C ATOM 1988 O ASN B 93 4.063 8.351 5.415 1.00 53.22 O ATOM 1989 CB ASN B 93 3.090 6.734 7.522 1.00 64.31 C ATOM 1990 CG ASN B 93 3.829 5.465 7.120 1.00 73.54 C ATOM 1991 OD1 ASN B 93 4.916 5.491 6.552 1.00 70.15 O ATOM 1992 ND2 ASN B 93 3.250 4.310 7.412 1.00 33.12 N ATOM 0 H ASN B 93 1.626 5.304 5.999 1.00 54.34 H new ATOM 0 HA ASN B 93 1.624 8.113 6.846 1.00 71.23 H new ATOM 0 HB2 ASN B 93 3.817 7.500 7.791 1.00 64.31 H new ATOM 0 HB3 ASN B 93 2.494 6.533 8.412 1.00 64.31 H new ATOM 0 HD21 ASN B 93 3.708 3.433 7.164 1.00 33.12 H new ATOM 0 HD22 ASN B 93 2.346 4.298 7.884 1.00 33.12 H new