USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=23 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 71 LYS NZ :NH3+ -107:sc= 1.32 (180deg=-0.292) USER MOD Set 1.2: B 91 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 412 TYR OH : rot -168:sc= 0.0454 USER MOD Set 2.2: B 22 TYR OH : rot -7:sc= 0.206 USER MOD Set 2.3: B 59 THR OG1 : rot -31:sc= 0.593 USER MOD Set 3.1: B 53 THR OG1 : rot 180:sc= 1.08 USER MOD Set 3.2: B 56 THR OG1 : rot -117:sc= 1.55 USER MOD Single : A 407 MET CE :methyl -177:sc= -0.931 (180deg=-0.96) USER MOD Single : A 413 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.115) USER MOD Single : B 18 ASN : amide:sc= -0.0892 K(o=-0.089,f=-1.3!) USER MOD Single : B 25 ASN : amide:sc= 1.01 K(o=1,f=-1.6!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ -170:sc= -0.0387 (180deg=-0.176) USER MOD Single : B 31 THR OG1 : rot 180:sc= 0.00106 USER MOD Single : B 35 MET CE :methyl 180:sc= -0.174 (180deg=-0.174) USER MOD Single : B 36 TYR OH : rot 158:sc= 0.357 USER MOD Single : B 41 LYS NZ :NH3+ 171:sc= -0.0302 (180deg=-0.152) USER MOD Single : B 42 TYR OH : rot 130:sc= -0.0138 USER MOD Single : B 47 GLN : amide:sc= -0.0105 K(o=-0.01,f=-0.75) USER MOD Single : B 52 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.01) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 18:sc= 1.15 USER MOD Single : B 72 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 74 CYS SG : rot 140:sc= -0.336 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 78 SER OG : rot -86:sc= 1.24 USER MOD Single : B 81 ASN :FLIP amide:sc= -0.309 F(o=-1.2,f=-0.31) 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) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 TYR OH : rot 40:sc= 1.08 USER MOD Single : B 93 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 6.148 1.682 -5.160 1.00 54.43 N ATOM 392 CA LEU A 404 5.034 1.163 -4.393 1.00 12.00 C ATOM 393 C LEU A 404 5.448 -0.151 -3.729 1.00 15.35 C ATOM 394 O LEU A 404 5.019 -0.432 -2.616 1.00 2.33 O ATOM 395 CB LEU A 404 3.854 0.984 -5.347 1.00 15.14 C ATOM 396 CG LEU A 404 2.486 0.799 -4.685 1.00 63.21 C ATOM 397 CD1 LEU A 404 2.146 1.989 -3.772 1.00 52.52 C ATOM 398 CD2 LEU A 404 1.469 0.716 -5.829 1.00 13.04 C ATOM 0 HA LEU A 404 4.738 1.847 -3.597 1.00 12.00 H new ATOM 0 HB2 LEU A 404 3.805 1.854 -6.002 1.00 15.14 H new ATOM 0 HB3 LEU A 404 4.051 0.119 -5.980 1.00 15.14 H new ATOM 0 HG LEU A 404 2.476 -0.096 -4.062 1.00 63.21 H new ATOM 0 HD11 LEU A 404 1.169 1.830 -3.316 1.00 52.52 H new ATOM 0 HD12 LEU A 404 2.901 2.076 -2.991 1.00 52.52 H new ATOM 0 HD13 LEU A 404 2.126 2.906 -4.361 1.00 52.52 H new ATOM 0 HD21 LEU A 404 0.468 0.583 -5.417 1.00 13.04 H new ATOM 0 HD22 LEU A 404 1.502 1.636 -6.413 1.00 13.04 H new ATOM 0 HD23 LEU A 404 1.712 -0.130 -6.471 1.00 13.04 H new ATOM 409 N ASP A 405 6.296 -0.941 -4.392 1.00 4.33 N ATOM 410 CA ASP A 405 6.795 -2.212 -3.876 1.00 53.44 C ATOM 411 C ASP A 405 7.674 -1.960 -2.646 1.00 15.01 C ATOM 412 O ASP A 405 7.575 -2.676 -1.644 1.00 41.24 O ATOM 413 CB ASP A 405 7.588 -2.928 -4.975 1.00 53.13 C ATOM 414 CG ASP A 405 7.879 -4.374 -4.591 1.00 25.50 C ATOM 415 OD1 ASP A 405 8.776 -4.627 -3.762 1.00 4.23 O ATOM 416 OD2 ASP A 405 7.147 -5.277 -5.066 1.00 75.24 O ATOM 0 H ASP A 405 6.659 -0.709 -5.317 1.00 4.33 H new ATOM 0 HA ASP A 405 5.960 -2.845 -3.577 1.00 53.44 H new ATOM 0 HB2 ASP A 405 7.025 -2.903 -5.908 1.00 53.13 H new ATOM 0 HB3 ASP A 405 8.525 -2.401 -5.153 1.00 53.13 H new ATOM 420 N ALA A 406 8.516 -0.923 -2.723 1.00 41.31 N ATOM 421 CA ALA A 406 9.427 -0.502 -1.664 1.00 12.02 C ATOM 422 C ALA A 406 8.671 0.161 -0.502 1.00 42.34 C ATOM 423 O ALA A 406 9.147 0.156 0.632 1.00 34.44 O ATOM 424 CB ALA A 406 10.455 0.477 -2.245 1.00 12.35 C ATOM 0 H ALA A 406 8.580 -0.337 -3.555 1.00 41.31 H new ATOM 0 HA ALA A 406 9.931 -1.385 -1.270 1.00 12.02 H new ATOM 0 HB1 ALA A 406 11.139 0.796 -1.458 1.00 12.35 H new ATOM 0 HB2 ALA A 406 11.018 -0.015 -3.038 1.00 12.35 H new ATOM 0 HB3 ALA A 406 9.939 1.347 -2.652 1.00 12.35 H new ATOM 430 N MET A 407 7.496 0.735 -0.763 1.00 53.12 N ATOM 431 CA MET A 407 6.676 1.401 0.241 1.00 13.13 C ATOM 432 C MET A 407 5.707 0.446 0.937 1.00 54.15 C ATOM 433 O MET A 407 5.130 0.826 1.961 1.00 4.30 O ATOM 434 CB MET A 407 5.852 2.502 -0.430 1.00 13.30 C ATOM 435 CG MET A 407 6.680 3.737 -0.796 1.00 14.23 C ATOM 436 SD MET A 407 5.776 4.915 -1.839 1.00 63.44 S ATOM 437 CE MET A 407 4.384 5.291 -0.740 1.00 64.11 C ATOM 0 H MET A 407 7.083 0.749 -1.696 1.00 53.12 H new ATOM 0 HA MET A 407 7.356 1.805 0.991 1.00 13.13 H new ATOM 0 HB2 MET A 407 5.390 2.102 -1.332 1.00 13.30 H new ATOM 0 HB3 MET A 407 5.043 2.800 0.237 1.00 13.30 H new ATOM 0 HG2 MET A 407 6.997 4.239 0.118 1.00 14.23 H new ATOM 0 HG3 MET A 407 7.584 3.420 -1.316 1.00 14.23 H new ATOM 0 HE1 MET A 407 3.693 5.965 -1.246 1.00 64.11 H new ATOM 0 HE2 MET A 407 3.866 4.368 -0.480 1.00 64.11 H new ATOM 0 HE3 MET A 407 4.755 5.766 0.168 1.00 64.11 H new ATOM 445 N PHE A 408 5.435 -0.733 0.375 1.00 62.54 N ATOM 446 CA PHE A 408 4.515 -1.676 0.992 1.00 21.53 C ATOM 447 C PHE A 408 5.238 -2.498 2.059 1.00 52.14 C ATOM 448 O PHE A 408 6.412 -2.822 1.875 1.00 63.42 O ATOM 449 CB PHE A 408 3.830 -2.554 -0.057 1.00 62.23 C ATOM 450 CG PHE A 408 2.451 -2.045 -0.431 1.00 2.02 C ATOM 451 CD1 PHE A 408 2.282 -0.749 -0.955 1.00 62.12 C ATOM 452 CD2 PHE A 408 1.318 -2.832 -0.159 1.00 12.02 C ATOM 453 CE1 PHE A 408 0.994 -0.236 -1.178 1.00 44.51 C ATOM 454 CE2 PHE A 408 0.036 -2.335 -0.435 1.00 71.34 C ATOM 455 CZ PHE A 408 -0.131 -1.030 -0.916 1.00 12.40 C ATOM 0 H PHE A 408 5.840 -1.053 -0.505 1.00 62.54 H new ATOM 0 HA PHE A 408 3.722 -1.117 1.489 1.00 21.53 H new ATOM 0 HB2 PHE A 408 4.452 -2.598 -0.951 1.00 62.23 H new ATOM 0 HB3 PHE A 408 3.747 -3.572 0.324 1.00 62.23 H new ATOM 0 HD1 PHE A 408 3.148 -0.146 -1.187 1.00 62.12 H new ATOM 0 HD2 PHE A 408 1.435 -3.819 0.263 1.00 12.02 H new ATOM 0 HE1 PHE A 408 0.870 0.770 -1.551 1.00 44.51 H new ATOM 0 HE2 PHE A 408 -0.828 -2.963 -0.276 1.00 71.34 H new ATOM 0 HZ PHE A 408 -1.123 -0.637 -1.084 1.00 12.40 H new ATOM 464 N PRO A 409 4.548 -2.860 3.153 1.00 62.51 N ATOM 465 CA PRO A 409 5.143 -3.631 4.228 1.00 74.33 C ATOM 466 C PRO A 409 5.494 -5.052 3.793 1.00 72.34 C ATOM 467 O PRO A 409 4.913 -5.620 2.858 1.00 43.31 O ATOM 468 CB PRO A 409 4.133 -3.630 5.375 1.00 34.40 C ATOM 469 CG PRO A 409 2.814 -3.172 4.764 1.00 51.42 C ATOM 470 CD PRO A 409 3.168 -2.512 3.439 1.00 61.41 C ATOM 0 HA PRO A 409 6.088 -3.184 4.537 1.00 74.33 H new ATOM 0 HB2 PRO A 409 4.037 -4.624 5.813 1.00 34.40 H new ATOM 0 HB3 PRO A 409 4.448 -2.959 6.174 1.00 34.40 H new ATOM 0 HG2 PRO A 409 2.142 -4.016 4.611 1.00 51.42 H new ATOM 0 HG3 PRO A 409 2.302 -2.472 5.423 1.00 51.42 H new ATOM 0 HD2 PRO A 409 2.509 -2.861 2.645 1.00 61.41 H new ATOM 0 HD3 PRO A 409 3.047 -1.431 3.501 1.00 61.41 H new ATOM 475 N GLU A 410 6.432 -5.633 4.534 1.00 20.13 N ATOM 476 CA GLU A 410 6.930 -6.972 4.315 1.00 40.21 C ATOM 477 C GLU A 410 5.874 -7.977 4.776 1.00 72.34 C ATOM 478 O GLU A 410 5.304 -7.855 5.870 1.00 60.31 O ATOM 479 CB GLU A 410 8.256 -7.135 5.083 1.00 40.42 C ATOM 480 CG GLU A 410 9.014 -8.431 4.757 1.00 34.21 C ATOM 481 CD GLU A 410 9.727 -8.395 3.401 1.00 12.04 C ATOM 482 OE1 GLU A 410 9.099 -8.055 2.373 1.00 1.43 O ATOM 483 OE2 GLU A 410 10.912 -8.789 3.329 1.00 20.53 O ATOM 0 H GLU A 410 6.875 -5.165 5.325 1.00 20.13 H new ATOM 0 HA GLU A 410 7.124 -7.154 3.258 1.00 40.21 H new ATOM 0 HB2 GLU A 410 8.900 -6.284 4.860 1.00 40.42 H new ATOM 0 HB3 GLU A 410 8.050 -7.107 6.153 1.00 40.42 H new ATOM 0 HG2 GLU A 410 9.748 -8.620 5.540 1.00 34.21 H new ATOM 0 HG3 GLU A 410 8.313 -9.266 4.768 1.00 34.21 H new ATOM 488 N GLY A 411 5.641 -8.997 3.954 1.00 63.33 N ATOM 489 CA GLY A 411 4.686 -10.056 4.216 1.00 13.05 C ATOM 490 C GLY A 411 3.320 -9.810 3.594 1.00 33.23 C ATOM 491 O GLY A 411 2.340 -10.412 4.049 1.00 31.42 O ATOM 0 H GLY A 411 6.128 -9.107 3.064 1.00 63.33 H new ATOM 0 HA2 GLY A 411 5.085 -10.996 3.836 1.00 13.05 H new ATOM 0 HA3 GLY A 411 4.570 -10.171 5.294 1.00 13.05 H new ATOM 495 N TYR A 412 3.255 -9.008 2.533 1.00 74.14 N ATOM 496 CA TYR A 412 2.027 -8.660 1.840 1.00 12.41 C ATOM 497 C TYR A 412 2.218 -9.040 0.382 1.00 54.22 C ATOM 498 O TYR A 412 2.993 -8.426 -0.355 1.00 64.11 O ATOM 499 CB TYR A 412 1.704 -7.170 2.022 1.00 4.40 C ATOM 500 CG TYR A 412 1.037 -6.864 3.346 1.00 0.34 C ATOM 501 CD1 TYR A 412 1.798 -6.758 4.527 1.00 73.11 C ATOM 502 CD2 TYR A 412 -0.362 -6.731 3.401 1.00 21.50 C ATOM 503 CE1 TYR A 412 1.160 -6.541 5.762 1.00 4.22 C ATOM 504 CE2 TYR A 412 -1.004 -6.554 4.636 1.00 2.00 C ATOM 505 CZ TYR A 412 -0.250 -6.459 5.822 1.00 44.24 C ATOM 506 OH TYR A 412 -0.913 -6.276 6.993 1.00 24.14 O ATOM 0 H TYR A 412 4.082 -8.573 2.124 1.00 74.14 H new ATOM 0 HA TYR A 412 1.173 -9.200 2.249 1.00 12.41 H new ATOM 0 HB2 TYR A 412 2.625 -6.593 1.944 1.00 4.40 H new ATOM 0 HB3 TYR A 412 1.054 -6.844 1.210 1.00 4.40 H new ATOM 0 HD1 TYR A 412 2.874 -6.844 4.484 1.00 73.11 H new ATOM 0 HD2 TYR A 412 -0.943 -6.765 2.491 1.00 21.50 H new ATOM 0 HE1 TYR A 412 1.747 -6.437 6.663 1.00 4.22 H new ATOM 0 HE2 TYR A 412 -2.081 -6.490 4.677 1.00 2.00 H new ATOM 0 HH TYR A 412 -1.870 -6.436 6.855 1.00 24.14 H new ATOM 515 N LYS A 413 1.511 -10.094 -0.020 1.00 42.31 N ATOM 516 CA LYS A 413 1.562 -10.641 -1.366 1.00 13.14 C ATOM 517 C LYS A 413 0.610 -9.847 -2.240 1.00 44.14 C ATOM 518 O LYS A 413 -0.425 -9.381 -1.768 1.00 74.41 O ATOM 519 CB LYS A 413 1.150 -12.120 -1.286 1.00 1.14 C ATOM 520 CG LYS A 413 1.436 -12.948 -2.544 1.00 12.15 C ATOM 521 CD LYS A 413 2.929 -12.929 -2.907 1.00 12.32 C ATOM 522 CE LYS A 413 3.350 -14.176 -3.682 1.00 35.30 C ATOM 523 NZ LYS A 413 3.376 -15.385 -2.830 1.00 34.22 N ATOM 0 H LYS A 413 0.875 -10.599 0.597 1.00 42.31 H new ATOM 0 HA LYS A 413 2.561 -10.574 -1.797 1.00 13.14 H new ATOM 0 HB2 LYS A 413 1.667 -12.579 -0.443 1.00 1.14 H new ATOM 0 HB3 LYS A 413 0.083 -12.172 -1.072 1.00 1.14 H new ATOM 0 HG2 LYS A 413 1.113 -13.977 -2.384 1.00 12.15 H new ATOM 0 HG3 LYS A 413 0.853 -12.557 -3.378 1.00 12.15 H new ATOM 0 HD2 LYS A 413 3.145 -12.043 -3.503 1.00 12.32 H new ATOM 0 HD3 LYS A 413 3.522 -12.852 -1.996 1.00 12.32 H new ATOM 0 HE2 LYS A 413 2.662 -14.334 -4.512 1.00 35.30 H new ATOM 0 HE3 LYS A 413 4.338 -14.017 -4.113 1.00 35.30 H new ATOM 0 HZ1 LYS A 413 3.900 -16.141 -3.316 1.00 34.22 H new ATOM 0 HZ2 LYS A 413 3.844 -15.164 -1.928 1.00 34.22 H new ATOM 0 HZ3 LYS A 413 2.402 -15.702 -2.647 1.00 34.22 H new ATOM 533 N VAL A 414 0.908 -9.745 -3.529 1.00 5.23 N ATOM 534 CA VAL A 414 0.090 -8.992 -4.467 1.00 33.34 C ATOM 535 C VAL A 414 -1.241 -9.724 -4.677 1.00 4.54 C ATOM 536 O VAL A 414 -1.332 -10.943 -4.491 1.00 34.43 O ATOM 537 CB VAL A 414 0.884 -8.778 -5.775 1.00 11.11 C ATOM 538 CG1 VAL A 414 0.166 -7.776 -6.687 1.00 74.31 C ATOM 539 CG2 VAL A 414 2.304 -8.242 -5.511 1.00 32.51 C ATOM 0 H VAL A 414 1.726 -10.183 -3.953 1.00 5.23 H new ATOM 0 HA VAL A 414 -0.150 -8.003 -4.076 1.00 33.34 H new ATOM 0 HB VAL A 414 0.952 -9.755 -6.254 1.00 11.11 H new ATOM 0 HG11 VAL A 414 0.742 -7.640 -7.602 1.00 74.31 H new ATOM 0 HG12 VAL A 414 -0.825 -8.155 -6.935 1.00 74.31 H new ATOM 0 HG13 VAL A 414 0.070 -6.820 -6.173 1.00 74.31 H new ATOM 0 HG21 VAL A 414 2.824 -8.107 -6.459 1.00 32.51 H new ATOM 0 HG22 VAL A 414 2.241 -7.285 -4.992 1.00 32.51 H new ATOM 0 HG23 VAL A 414 2.853 -8.954 -4.894 1.00 32.51 H new ATOM 549 N LEU A 415 -2.307 -8.987 -4.994 1.00 51.53 N ATOM 550 CA LEU A 415 -3.635 -9.536 -5.233 1.00 65.43 C ATOM 551 C LEU A 415 -4.084 -9.174 -6.652 1.00 15.20 C ATOM 552 O LEU A 415 -4.826 -8.205 -6.814 1.00 24.43 O ATOM 553 CB LEU A 415 -4.624 -9.048 -4.158 1.00 5.31 C ATOM 554 CG LEU A 415 -6.009 -9.725 -4.265 1.00 20.22 C ATOM 555 CD1 LEU A 415 -5.942 -11.194 -3.821 1.00 61.42 C ATOM 556 CD2 LEU A 415 -7.026 -8.983 -3.394 1.00 11.13 C ATOM 0 H LEU A 415 -2.266 -7.973 -5.093 1.00 51.53 H new ATOM 0 HA LEU A 415 -3.607 -10.623 -5.158 1.00 65.43 H new ATOM 0 HB2 LEU A 415 -4.205 -9.243 -3.171 1.00 5.31 H new ATOM 0 HB3 LEU A 415 -4.745 -7.968 -4.246 1.00 5.31 H new ATOM 0 HG LEU A 415 -6.319 -9.687 -5.309 1.00 20.22 H new ATOM 0 HD11 LEU A 415 -6.930 -11.645 -3.907 1.00 61.42 H new ATOM 0 HD12 LEU A 415 -5.240 -11.734 -4.456 1.00 61.42 H new ATOM 0 HD13 LEU A 415 -5.608 -11.246 -2.785 1.00 61.42 H new ATOM 0 HD21 LEU A 415 -7.999 -9.468 -3.477 1.00 11.13 H new ATOM 0 HD22 LEU A 415 -6.698 -9.003 -2.355 1.00 11.13 H new ATOM 0 HD23 LEU A 415 -7.107 -7.949 -3.730 1.00 11.13 H new ATOM 567 N PRO A 416 -3.606 -9.883 -7.687 1.00 40.14 N ATOM 568 CA PRO A 416 -4.030 -9.610 -9.052 1.00 43.45 C ATOM 569 C PRO A 416 -5.491 -10.074 -9.208 1.00 34.34 C ATOM 570 O PRO A 416 -5.952 -10.911 -8.417 1.00 61.14 O ATOM 571 CB PRO A 416 -3.067 -10.405 -9.941 1.00 1.00 C ATOM 572 CG PRO A 416 -2.673 -11.593 -9.065 1.00 22.20 C ATOM 573 CD PRO A 416 -2.715 -11.033 -7.642 1.00 55.11 C ATOM 0 HA PRO A 416 -4.000 -8.554 -9.321 1.00 43.45 H new ATOM 0 HB2 PRO A 416 -3.547 -10.729 -10.864 1.00 1.00 H new ATOM 0 HB3 PRO A 416 -2.199 -9.810 -10.225 1.00 1.00 H new ATOM 0 HG2 PRO A 416 -3.366 -12.426 -9.187 1.00 22.20 H new ATOM 0 HG3 PRO A 416 -1.680 -11.964 -9.319 1.00 22.20 H new ATOM 0 HD2 PRO A 416 -3.080 -11.782 -6.939 1.00 55.11 H new ATOM 0 HD3 PRO A 416 -1.719 -10.742 -7.308 1.00 55.11 H new ATOM 578 N PRO A 417 -6.223 -9.574 -10.218 1.00 3.25 N ATOM 579 CA PRO A 417 -7.609 -9.962 -10.436 1.00 33.20 C ATOM 580 C PRO A 417 -7.707 -11.433 -10.855 1.00 53.11 C ATOM 581 O PRO A 417 -6.731 -11.979 -11.382 1.00 75.34 O ATOM 582 CB PRO A 417 -8.136 -9.015 -11.514 1.00 13.44 C ATOM 583 CG PRO A 417 -6.888 -8.548 -12.260 1.00 14.44 C ATOM 584 CD PRO A 417 -5.789 -8.596 -11.203 1.00 13.20 C ATOM 0 HA PRO A 417 -8.205 -9.881 -9.527 1.00 33.20 H new ATOM 0 HB2 PRO A 417 -8.831 -9.523 -12.183 1.00 13.44 H new ATOM 0 HB3 PRO A 417 -8.673 -8.174 -11.075 1.00 13.44 H new ATOM 0 HG2 PRO A 417 -6.660 -9.199 -13.104 1.00 14.44 H new ATOM 0 HG3 PRO A 417 -7.014 -7.542 -12.659 1.00 14.44 H new ATOM 0 HD2 PRO A 417 -4.835 -8.884 -11.645 1.00 13.20 H new ATOM 0 HD3 PRO A 417 -5.646 -7.618 -10.745 1.00 13.20 H new ATOM 589 N PRO A 418 -8.868 -12.080 -10.657 1.00 40.01 N ATOM 590 CA PRO A 418 -9.045 -13.478 -11.020 1.00 72.41 C ATOM 591 C PRO A 418 -8.992 -13.628 -12.543 1.00 14.02 C ATOM 592 O PRO A 418 -9.326 -12.697 -13.283 1.00 55.31 O ATOM 593 CB PRO A 418 -10.378 -13.905 -10.393 1.00 63.11 C ATOM 594 CG PRO A 418 -11.154 -12.596 -10.265 1.00 20.34 C ATOM 595 CD PRO A 418 -10.080 -11.533 -10.066 1.00 41.22 C ATOM 0 HA PRO A 418 -8.253 -14.127 -10.646 1.00 72.41 H new ATOM 0 HB2 PRO A 418 -10.905 -14.623 -11.022 1.00 63.11 H new ATOM 0 HB3 PRO A 418 -10.230 -14.379 -9.423 1.00 63.11 H new ATOM 0 HG2 PRO A 418 -11.748 -12.398 -11.157 1.00 20.34 H new ATOM 0 HG3 PRO A 418 -11.845 -12.625 -9.422 1.00 20.34 H new ATOM 0 HD2 PRO A 418 -10.362 -10.597 -10.548 1.00 41.22 H new ATOM 0 HD3 PRO A 418 -9.936 -11.316 -9.008 1.00 41.22 H new ATOM 826 N VAL B 17 -2.793 12.584 4.096 1.00 53.34 N ATOM 827 CA VAL B 17 -3.457 11.501 3.386 1.00 11.10 C ATOM 828 C VAL B 17 -2.679 11.244 2.089 1.00 31.21 C ATOM 829 O VAL B 17 -2.054 12.147 1.524 1.00 71.25 O ATOM 830 CB VAL B 17 -4.954 11.844 3.207 1.00 14.34 C ATOM 831 CG1 VAL B 17 -5.741 10.730 2.500 1.00 32.20 C ATOM 832 CG2 VAL B 17 -5.605 12.066 4.585 1.00 74.51 C ATOM 0 HA VAL B 17 -3.451 10.563 3.942 1.00 11.10 H new ATOM 0 HB VAL B 17 -4.991 12.743 2.591 1.00 14.34 H new ATOM 0 HG11 VAL B 17 -6.785 11.028 2.403 1.00 32.20 H new ATOM 0 HG12 VAL B 17 -5.319 10.558 1.510 1.00 32.20 H new ATOM 0 HG13 VAL B 17 -5.678 9.813 3.085 1.00 32.20 H new ATOM 0 HG21 VAL B 17 -6.660 12.307 4.454 1.00 74.51 H new ATOM 0 HG22 VAL B 17 -5.512 11.159 5.182 1.00 74.51 H new ATOM 0 HG23 VAL B 17 -5.105 12.889 5.095 1.00 74.51 H new ATOM 842 N ASN B 18 -2.713 9.998 1.626 1.00 24.10 N ATOM 843 CA ASN B 18 -2.057 9.475 0.437 1.00 45.23 C ATOM 844 C ASN B 18 -3.070 8.621 -0.325 1.00 1.32 C ATOM 845 O ASN B 18 -4.199 8.445 0.130 1.00 34.45 O ATOM 846 CB ASN B 18 -0.868 8.589 0.868 1.00 13.52 C ATOM 847 CG ASN B 18 0.351 9.286 1.462 1.00 54.13 C ATOM 848 OD1 ASN B 18 1.012 8.721 2.321 1.00 1.53 O ATOM 849 ND2 ASN B 18 0.741 10.466 1.014 1.00 53.35 N ATOM 0 H ASN B 18 -3.242 9.273 2.112 1.00 24.10 H new ATOM 0 HA ASN B 18 -1.695 10.289 -0.192 1.00 45.23 H new ATOM 0 HB2 ASN B 18 -1.233 7.869 1.600 1.00 13.52 H new ATOM 0 HB3 ASN B 18 -0.540 8.021 -0.002 1.00 13.52 H new ATOM 0 HD21 ASN B 18 1.587 10.898 1.385 1.00 53.35 H new ATOM 0 HD22 ASN B 18 0.196 10.945 0.297 1.00 53.35 H new ATOM 855 N ARG B 19 -2.690 8.091 -1.494 1.00 52.12 N ATOM 856 CA ARG B 19 -3.591 7.233 -2.273 1.00 23.45 C ATOM 857 C ARG B 19 -3.641 5.823 -1.662 1.00 14.23 C ATOM 858 O ARG B 19 -4.450 5.007 -2.102 1.00 14.32 O ATOM 859 CB ARG B 19 -3.157 7.121 -3.748 1.00 20.30 C ATOM 860 CG ARG B 19 -2.928 8.438 -4.513 1.00 20.41 C ATOM 861 CD ARG B 19 -1.483 8.941 -4.377 1.00 53.13 C ATOM 862 NE ARG B 19 -1.159 10.053 -5.282 1.00 33.13 N ATOM 863 CZ ARG B 19 -0.711 9.927 -6.540 1.00 20.30 C ATOM 864 NH1 ARG B 19 -0.732 8.753 -7.164 1.00 13.24 N ATOM 865 NH2 ARG B 19 -0.221 10.983 -7.173 1.00 60.25 N ATOM 0 H ARG B 19 -1.774 8.239 -1.918 1.00 52.12 H new ATOM 0 HA ARG B 19 -4.577 7.696 -2.240 1.00 23.45 H new ATOM 0 HB2 ARG B 19 -2.234 6.543 -3.786 1.00 20.30 H new ATOM 0 HB3 ARG B 19 -3.915 6.547 -4.281 1.00 20.30 H new ATOM 0 HG2 ARG B 19 -3.162 8.290 -5.567 1.00 20.41 H new ATOM 0 HG3 ARG B 19 -3.613 9.198 -4.138 1.00 20.41 H new ATOM 0 HD2 ARG B 19 -1.313 9.260 -3.348 1.00 53.13 H new ATOM 0 HD3 ARG B 19 -0.800 8.114 -4.572 1.00 53.13 H new ATOM 0 HE ARG B 19 -1.285 10.999 -4.923 1.00 33.13 H new ATOM 0 HH11 ARG B 19 -1.093 7.928 -6.686 1.00 13.24 H new ATOM 0 HH12 ARG B 19 -0.387 8.678 -8.121 1.00 13.24 H new ATOM 0 HH21 ARG B 19 -0.185 11.888 -6.704 1.00 60.25 H new ATOM 0 HH22 ARG B 19 0.121 10.891 -8.130 1.00 60.25 H new ATOM 876 N ILE B 20 -2.758 5.526 -0.702 1.00 1.24 N ATOM 877 CA ILE B 20 -2.632 4.255 -0.010 1.00 64.12 C ATOM 878 C ILE B 20 -3.499 4.325 1.251 1.00 51.52 C ATOM 879 O ILE B 20 -3.220 5.116 2.160 1.00 14.14 O ATOM 880 CB ILE B 20 -1.145 3.954 0.292 1.00 0.43 C ATOM 881 CG1 ILE B 20 -0.267 4.080 -0.976 1.00 14.00 C ATOM 882 CG2 ILE B 20 -1.014 2.545 0.898 1.00 2.42 C ATOM 883 CD1 ILE B 20 1.229 3.920 -0.713 1.00 51.32 C ATOM 0 H ILE B 20 -2.077 6.211 -0.374 1.00 1.24 H new ATOM 0 HA ILE B 20 -2.983 3.428 -0.627 1.00 64.12 H new ATOM 0 HB ILE B 20 -0.788 4.693 1.010 1.00 0.43 H new ATOM 0 HG12 ILE B 20 -0.581 3.327 -1.699 1.00 14.00 H new ATOM 0 HG13 ILE B 20 -0.443 5.054 -1.432 1.00 14.00 H new ATOM 0 HG21 ILE B 20 0.035 2.336 1.110 1.00 2.42 H new ATOM 0 HG22 ILE B 20 -1.588 2.492 1.823 1.00 2.42 H new ATOM 0 HG23 ILE B 20 -1.395 1.808 0.191 1.00 2.42 H new ATOM 0 HD11 ILE B 20 1.776 4.021 -1.650 1.00 51.32 H new ATOM 0 HD12 ILE B 20 1.560 4.689 -0.015 1.00 51.32 H new ATOM 0 HD13 ILE B 20 1.420 2.936 -0.286 1.00 51.32 H new ATOM 894 N LEU B 21 -4.533 3.488 1.324 1.00 31.14 N ATOM 895 CA LEU B 21 -5.486 3.410 2.432 1.00 62.11 C ATOM 896 C LEU B 21 -5.349 2.058 3.126 1.00 12.01 C ATOM 897 O LEU B 21 -5.396 1.027 2.451 1.00 3.02 O ATOM 898 CB LEU B 21 -6.920 3.539 1.892 1.00 62.32 C ATOM 899 CG LEU B 21 -7.213 4.802 1.061 1.00 41.35 C ATOM 900 CD1 LEU B 21 -8.575 4.613 0.395 1.00 0.00 C ATOM 901 CD2 LEU B 21 -7.191 6.077 1.912 1.00 64.33 C ATOM 0 H LEU B 21 -4.739 2.818 0.583 1.00 31.14 H new ATOM 0 HA LEU B 21 -5.280 4.216 3.136 1.00 62.11 H new ATOM 0 HB2 LEU B 21 -7.137 2.665 1.278 1.00 62.32 H new ATOM 0 HB3 LEU B 21 -7.609 3.514 2.736 1.00 62.32 H new ATOM 0 HG LEU B 21 -6.432 4.930 0.312 1.00 41.35 H new ATOM 0 HD11 LEU B 21 -8.813 5.493 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -8.546 3.734 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.339 4.477 1.161 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -7.403 6.940 1.280 1.00 64.33 H new ATOM 0 HD22 LEU B 21 -7.947 6.005 2.694 1.00 64.33 H new ATOM 0 HD23 LEU B 21 -6.207 6.194 2.367 1.00 64.33 H new ATOM 912 N TYR B 22 -5.160 2.039 4.446 1.00 71.14 N ATOM 913 CA TYR B 22 -5.028 0.821 5.235 1.00 13.12 C ATOM 914 C TYR B 22 -6.415 0.460 5.738 1.00 31.52 C ATOM 915 O TYR B 22 -7.144 1.327 6.230 1.00 11.32 O ATOM 916 CB TYR B 22 -4.064 1.010 6.415 1.00 23.10 C ATOM 917 CG TYR B 22 -3.833 -0.241 7.258 1.00 14.53 C ATOM 918 CD1 TYR B 22 -3.594 -1.491 6.651 1.00 40.14 C ATOM 919 CD2 TYR B 22 -3.801 -0.146 8.662 1.00 63.41 C ATOM 920 CE1 TYR B 22 -3.310 -2.629 7.424 1.00 40.21 C ATOM 921 CE2 TYR B 22 -3.507 -1.277 9.445 1.00 2.23 C ATOM 922 CZ TYR B 22 -3.259 -2.523 8.830 1.00 40.13 C ATOM 923 OH TYR B 22 -2.959 -3.611 9.593 1.00 0.15 O ATOM 0 H TYR B 22 -5.094 2.890 5.005 1.00 71.14 H new ATOM 0 HA TYR B 22 -4.613 0.024 4.618 1.00 13.12 H new ATOM 0 HB2 TYR B 22 -3.104 1.354 6.030 1.00 23.10 H new ATOM 0 HB3 TYR B 22 -4.451 1.799 7.060 1.00 23.10 H new ATOM 0 HD1 TYR B 22 -3.630 -1.575 5.575 1.00 40.14 H new ATOM 0 HD2 TYR B 22 -4.003 0.801 9.141 1.00 63.41 H new ATOM 0 HE1 TYR B 22 -3.132 -3.580 6.945 1.00 40.21 H new ATOM 0 HE2 TYR B 22 -3.471 -1.192 10.521 1.00 2.23 H new ATOM 0 HH TYR B 22 -2.912 -4.407 9.023 1.00 0.15 H new ATOM 932 N ILE B 23 -6.775 -0.815 5.646 1.00 21.43 N ATOM 933 CA ILE B 23 -8.054 -1.361 6.053 1.00 4.21 C ATOM 934 C ILE B 23 -7.791 -2.465 7.078 1.00 63.42 C ATOM 935 O ILE B 23 -6.875 -3.285 6.922 1.00 73.44 O ATOM 936 CB ILE B 23 -8.843 -1.884 4.830 1.00 41.21 C ATOM 937 CG1 ILE B 23 -8.785 -0.981 3.570 1.00 15.35 C ATOM 938 CG2 ILE B 23 -10.307 -2.143 5.226 1.00 21.43 C ATOM 939 CD1 ILE B 23 -9.422 0.407 3.693 1.00 33.44 C ATOM 0 H ILE B 23 -6.149 -1.526 5.267 1.00 21.43 H new ATOM 0 HA ILE B 23 -8.671 -0.586 6.508 1.00 4.21 H new ATOM 0 HB ILE B 23 -8.346 -2.810 4.540 1.00 41.21 H new ATOM 0 HG12 ILE B 23 -7.739 -0.853 3.290 1.00 15.35 H new ATOM 0 HG13 ILE B 23 -9.272 -1.508 2.750 1.00 15.35 H new ATOM 0 HG21 ILE B 23 -10.858 -2.511 4.361 1.00 21.43 H new ATOM 0 HG22 ILE B 23 -10.342 -2.887 6.022 1.00 21.43 H new ATOM 0 HG23 ILE B 23 -10.759 -1.215 5.576 1.00 21.43 H new ATOM 0 HD11 ILE B 23 -9.317 0.940 2.748 1.00 33.44 H new ATOM 0 HD12 ILE B 23 -10.480 0.302 3.935 1.00 33.44 H new ATOM 0 HD13 ILE B 23 -8.923 0.968 4.484 1.00 33.44 H new ATOM 950 N ARG B 24 -8.592 -2.481 8.143 1.00 2.41 N ATOM 951 CA ARG B 24 -8.517 -3.456 9.227 1.00 1.14 C ATOM 952 C ARG B 24 -9.885 -4.129 9.346 1.00 31.50 C ATOM 953 O ARG B 24 -10.892 -3.580 8.895 1.00 34.11 O ATOM 954 CB ARG B 24 -8.068 -2.794 10.554 1.00 73.33 C ATOM 955 CG ARG B 24 -6.653 -2.178 10.539 1.00 1.33 C ATOM 956 CD ARG B 24 -6.367 -1.303 11.779 1.00 15.42 C ATOM 957 NE ARG B 24 -6.280 -2.094 13.025 1.00 40.23 N ATOM 958 CZ ARG B 24 -5.181 -2.426 13.722 1.00 23.11 C ATOM 959 NH1 ARG B 24 -3.997 -1.866 13.475 1.00 40.22 N ATOM 960 NH2 ARG B 24 -5.266 -3.348 14.674 1.00 0.01 N ATOM 0 H ARG B 24 -9.334 -1.794 8.278 1.00 2.41 H new ATOM 0 HA ARG B 24 -7.762 -4.210 9.006 1.00 1.14 H new ATOM 0 HB2 ARG B 24 -8.783 -2.013 10.811 1.00 73.33 H new ATOM 0 HB3 ARG B 24 -8.113 -3.541 11.347 1.00 73.33 H new ATOM 0 HG2 ARG B 24 -5.914 -2.978 10.486 1.00 1.33 H new ATOM 0 HG3 ARG B 24 -6.534 -1.575 9.639 1.00 1.33 H new ATOM 0 HD2 ARG B 24 -5.432 -0.763 11.630 1.00 15.42 H new ATOM 0 HD3 ARG B 24 -7.154 -0.556 11.881 1.00 15.42 H new ATOM 0 HE ARG B 24 -7.166 -2.430 13.403 1.00 40.23 H new ATOM 0 HH11 ARG B 24 -3.908 -1.165 12.740 1.00 40.22 H new ATOM 0 HH12 ARG B 24 -3.180 -2.139 14.021 1.00 40.22 H new ATOM 0 HH21 ARG B 24 -6.160 -3.797 14.870 1.00 0.01 H new ATOM 0 HH22 ARG B 24 -4.437 -3.607 15.209 1.00 0.01 H new ATOM 971 N ASN B 25 -9.912 -5.286 10.013 1.00 63.14 N ATOM 972 CA ASN B 25 -11.072 -6.147 10.267 1.00 34.33 C ATOM 973 C ASN B 25 -11.601 -6.853 9.018 1.00 23.21 C ATOM 974 O ASN B 25 -12.793 -7.140 8.924 1.00 44.33 O ATOM 975 CB ASN B 25 -12.187 -5.433 11.050 1.00 21.14 C ATOM 976 CG ASN B 25 -13.052 -6.430 11.818 1.00 52.32 C ATOM 977 OD1 ASN B 25 -12.598 -7.494 12.241 1.00 53.44 O ATOM 978 ND2 ASN B 25 -14.299 -6.102 12.094 1.00 60.12 N ATOM 0 H ASN B 25 -9.061 -5.675 10.420 1.00 63.14 H new ATOM 0 HA ASN B 25 -10.696 -6.940 10.914 1.00 34.33 H new ATOM 0 HB2 ASN B 25 -11.746 -4.719 11.746 1.00 21.14 H new ATOM 0 HB3 ASN B 25 -12.810 -4.863 10.361 1.00 21.14 H new ATOM 0 HD21 ASN B 25 -14.879 -6.727 12.653 1.00 60.12 H new ATOM 0 HD22 ASN B 25 -14.684 -5.223 11.748 1.00 60.12 H new ATOM 984 N LEU B 26 -10.745 -7.065 8.015 1.00 23.32 N ATOM 985 CA LEU B 26 -11.155 -7.744 6.790 1.00 25.53 C ATOM 986 C LEU B 26 -11.420 -9.211 7.123 1.00 42.41 C ATOM 987 O LEU B 26 -10.752 -9.748 8.009 1.00 60.33 O ATOM 988 CB LEU B 26 -10.040 -7.692 5.736 1.00 1.11 C ATOM 989 CG LEU B 26 -9.710 -6.274 5.259 1.00 11.24 C ATOM 990 CD1 LEU B 26 -8.447 -6.323 4.404 1.00 3.53 C ATOM 991 CD2 LEU B 26 -10.857 -5.643 4.466 1.00 41.12 C ATOM 0 H LEU B 26 -9.767 -6.776 8.030 1.00 23.32 H new ATOM 0 HA LEU B 26 -12.044 -7.252 6.395 1.00 25.53 H new ATOM 0 HB2 LEU B 26 -9.139 -8.146 6.150 1.00 1.11 H new ATOM 0 HB3 LEU B 26 -10.335 -8.295 4.877 1.00 1.11 H new ATOM 0 HG LEU B 26 -9.553 -5.649 6.138 1.00 11.24 H new ATOM 0 HD11 LEU B 26 -8.202 -5.319 4.059 1.00 3.53 H new ATOM 0 HD12 LEU B 26 -7.621 -6.714 4.998 1.00 3.53 H new ATOM 0 HD13 LEU B 26 -8.615 -6.972 3.544 1.00 3.53 H new ATOM 0 HD21 LEU B 26 -10.572 -4.639 4.151 1.00 41.12 H new ATOM 0 HD22 LEU B 26 -11.070 -6.252 3.588 1.00 41.12 H new ATOM 0 HD23 LEU B 26 -11.746 -5.588 5.094 1.00 41.12 H new ATOM 1002 N PRO B 27 -12.318 -9.901 6.412 1.00 54.21 N ATOM 1003 CA PRO B 27 -12.592 -11.305 6.681 1.00 35.33 C ATOM 1004 C PRO B 27 -11.346 -12.153 6.392 1.00 21.22 C ATOM 1005 O PRO B 27 -10.508 -11.800 5.553 1.00 13.14 O ATOM 1006 CB PRO B 27 -13.766 -11.669 5.766 1.00 0.22 C ATOM 1007 CG PRO B 27 -13.662 -10.646 4.634 1.00 3.25 C ATOM 1008 CD PRO B 27 -13.162 -9.394 5.345 1.00 52.31 C ATOM 0 HA PRO B 27 -12.844 -11.493 7.725 1.00 35.33 H new ATOM 0 HB2 PRO B 27 -13.684 -12.690 5.394 1.00 0.22 H new ATOM 0 HB3 PRO B 27 -14.720 -11.596 6.288 1.00 0.22 H new ATOM 0 HG2 PRO B 27 -12.970 -10.972 3.858 1.00 3.25 H new ATOM 0 HG3 PRO B 27 -14.625 -10.479 4.152 1.00 3.25 H new ATOM 0 HD2 PRO B 27 -12.603 -8.748 4.668 1.00 52.31 H new ATOM 0 HD3 PRO B 27 -13.989 -8.803 5.739 1.00 52.31 H new ATOM 1013 N TYR B 28 -11.206 -13.282 7.092 1.00 4.40 N ATOM 1014 CA TYR B 28 -10.076 -14.187 6.903 1.00 34.20 C ATOM 1015 C TYR B 28 -10.227 -14.962 5.588 1.00 51.12 C ATOM 1016 O TYR B 28 -9.227 -15.388 5.013 1.00 2.40 O ATOM 1017 CB TYR B 28 -9.953 -15.165 8.086 1.00 61.22 C ATOM 1018 CG TYR B 28 -9.532 -14.530 9.403 1.00 62.41 C ATOM 1019 CD1 TYR B 28 -8.250 -13.959 9.532 1.00 3.31 C ATOM 1020 CD2 TYR B 28 -10.413 -14.512 10.502 1.00 33.41 C ATOM 1021 CE1 TYR B 28 -7.857 -13.350 10.737 1.00 32.40 C ATOM 1022 CE2 TYR B 28 -10.033 -13.901 11.710 1.00 22.14 C ATOM 1023 CZ TYR B 28 -8.759 -13.300 11.824 1.00 45.33 C ATOM 1024 OH TYR B 28 -8.392 -12.654 12.964 1.00 23.44 O ATOM 0 H TYR B 28 -11.871 -13.591 7.801 1.00 4.40 H new ATOM 0 HA TYR B 28 -9.166 -13.589 6.857 1.00 34.20 H new ATOM 0 HB2 TYR B 28 -10.913 -15.661 8.229 1.00 61.22 H new ATOM 0 HB3 TYR B 28 -9.230 -15.938 7.825 1.00 61.22 H new ATOM 0 HD1 TYR B 28 -7.564 -13.989 8.699 1.00 3.31 H new ATOM 0 HD2 TYR B 28 -11.387 -14.971 10.416 1.00 33.41 H new ATOM 0 HE1 TYR B 28 -6.870 -12.922 10.832 1.00 32.40 H new ATOM 0 HE2 TYR B 28 -10.713 -13.891 12.549 1.00 22.14 H new ATOM 0 HH TYR B 28 -9.120 -12.706 13.618 1.00 23.44 H new ATOM 1033 N LYS B 29 -11.454 -15.148 5.091 1.00 20.31 N ATOM 1034 CA LYS B 29 -11.725 -15.872 3.855 1.00 40.22 C ATOM 1035 C LYS B 29 -12.345 -14.907 2.866 1.00 73.31 C ATOM 1036 O LYS B 29 -13.466 -14.453 3.093 1.00 33.25 O ATOM 1037 CB LYS B 29 -12.670 -17.061 4.085 1.00 11.02 C ATOM 1038 CG LYS B 29 -12.196 -18.054 5.153 1.00 61.31 C ATOM 1039 CD LYS B 29 -12.841 -17.812 6.526 1.00 74.13 C ATOM 1040 CE LYS B 29 -14.173 -18.555 6.719 1.00 52.54 C ATOM 1041 NZ LYS B 29 -15.316 -17.940 6.014 1.00 14.30 N ATOM 0 H LYS B 29 -12.295 -14.793 5.546 1.00 20.31 H new ATOM 0 HA LYS B 29 -10.788 -16.274 3.470 1.00 40.22 H new ATOM 0 HB2 LYS B 29 -13.650 -16.679 4.371 1.00 11.02 H new ATOM 0 HB3 LYS B 29 -12.798 -17.594 3.143 1.00 11.02 H new ATOM 0 HG2 LYS B 29 -12.423 -19.068 4.825 1.00 61.31 H new ATOM 0 HG3 LYS B 29 -11.112 -17.986 5.250 1.00 61.31 H new ATOM 0 HD2 LYS B 29 -12.145 -18.123 7.305 1.00 74.13 H new ATOM 0 HD3 LYS B 29 -13.009 -16.743 6.656 1.00 74.13 H new ATOM 0 HE2 LYS B 29 -14.057 -19.582 6.373 1.00 52.54 H new ATOM 0 HE3 LYS B 29 -14.400 -18.601 7.784 1.00 52.54 H new ATOM 0 HZ1 LYS B 29 -16.200 -18.392 6.325 1.00 14.30 H new ATOM 0 HZ2 LYS B 29 -15.352 -16.924 6.231 1.00 14.30 H new ATOM 0 HZ3 LYS B 29 -15.203 -18.071 4.989 1.00 14.30 H new ATOM 1051 N ILE B 30 -11.611 -14.542 1.824 1.00 52.24 N ATOM 1052 CA ILE B 30 -12.082 -13.647 0.779 1.00 54.33 C ATOM 1053 C ILE B 30 -11.211 -13.878 -0.456 1.00 21.24 C ATOM 1054 O ILE B 30 -10.052 -14.301 -0.332 1.00 34.23 O ATOM 1055 CB ILE B 30 -12.139 -12.189 1.289 1.00 45.02 C ATOM 1056 CG1 ILE B 30 -12.835 -11.283 0.259 1.00 1.32 C ATOM 1057 CG2 ILE B 30 -10.769 -11.637 1.730 1.00 55.23 C ATOM 1058 CD1 ILE B 30 -13.467 -10.034 0.880 1.00 34.25 C ATOM 0 H ILE B 30 -10.655 -14.866 1.680 1.00 52.24 H new ATOM 0 HA ILE B 30 -13.111 -13.859 0.490 1.00 54.33 H new ATOM 0 HB ILE B 30 -12.741 -12.194 2.197 1.00 45.02 H new ATOM 0 HG12 ILE B 30 -12.110 -10.978 -0.495 1.00 1.32 H new ATOM 0 HG13 ILE B 30 -13.607 -11.855 -0.255 1.00 1.32 H new ATOM 0 HG21 ILE B 30 -10.885 -10.610 2.076 1.00 55.23 H new ATOM 0 HG22 ILE B 30 -10.373 -12.250 2.540 1.00 55.23 H new ATOM 0 HG23 ILE B 30 -10.079 -11.660 0.887 1.00 55.23 H new ATOM 0 HD11 ILE B 30 -13.941 -9.439 0.099 1.00 34.25 H new ATOM 0 HD12 ILE B 30 -14.216 -10.332 1.614 1.00 34.25 H new ATOM 0 HD13 ILE B 30 -12.695 -9.441 1.370 1.00 34.25 H new ATOM 1069 N THR B 31 -11.755 -13.629 -1.640 1.00 60.42 N ATOM 1070 CA THR B 31 -11.081 -13.805 -2.917 1.00 31.24 C ATOM 1071 C THR B 31 -10.865 -12.456 -3.592 1.00 40.44 C ATOM 1072 O THR B 31 -11.332 -11.418 -3.113 1.00 72.45 O ATOM 1073 CB THR B 31 -11.966 -14.686 -3.812 1.00 52.52 C ATOM 1074 OG1 THR B 31 -13.247 -14.098 -3.910 1.00 42.31 O ATOM 1075 CG2 THR B 31 -12.067 -16.126 -3.314 1.00 12.14 C ATOM 0 H THR B 31 -12.711 -13.287 -1.740 1.00 60.42 H new ATOM 0 HA THR B 31 -10.110 -14.273 -2.757 1.00 31.24 H new ATOM 0 HB THR B 31 -11.501 -14.741 -4.796 1.00 52.52 H new ATOM 0 HG1 THR B 31 -13.819 -14.653 -4.481 1.00 42.31 H new ATOM 0 HG21 THR B 31 -12.705 -16.700 -3.986 1.00 12.14 H new ATOM 0 HG22 THR B 31 -11.073 -16.572 -3.288 1.00 12.14 H new ATOM 0 HG23 THR B 31 -12.495 -16.135 -2.312 1.00 12.14 H new ATOM 1083 N ALA B 32 -10.122 -12.466 -4.702 1.00 52.12 N ATOM 1084 CA ALA B 32 -9.886 -11.252 -5.460 1.00 2.00 C ATOM 1085 C ALA B 32 -11.224 -10.799 -6.069 1.00 23.30 C ATOM 1086 O ALA B 32 -11.449 -9.602 -6.194 1.00 13.01 O ATOM 1087 CB ALA B 32 -8.825 -11.520 -6.533 1.00 41.13 C ATOM 0 H ALA B 32 -9.679 -13.300 -5.087 1.00 52.12 H new ATOM 0 HA ALA B 32 -9.507 -10.454 -4.822 1.00 2.00 H new ATOM 0 HB1 ALA B 32 -8.646 -10.609 -7.104 1.00 41.13 H new ATOM 0 HB2 ALA B 32 -7.898 -11.837 -6.056 1.00 41.13 H new ATOM 0 HB3 ALA B 32 -9.175 -12.305 -7.203 1.00 41.13 H new ATOM 1093 N GLU B 33 -12.103 -11.750 -6.406 1.00 14.24 N ATOM 1094 CA GLU B 33 -13.423 -11.549 -6.997 1.00 24.13 C ATOM 1095 C GLU B 33 -14.239 -10.551 -6.170 1.00 12.40 C ATOM 1096 O GLU B 33 -14.803 -9.598 -6.712 1.00 12.14 O ATOM 1097 CB GLU B 33 -14.172 -12.894 -7.055 1.00 74.12 C ATOM 1098 CG GLU B 33 -13.449 -14.055 -7.765 1.00 13.32 C ATOM 1099 CD GLU B 33 -13.735 -15.420 -7.127 1.00 51.25 C ATOM 1100 OE1 GLU B 33 -14.904 -15.872 -7.070 1.00 53.33 O ATOM 1101 OE2 GLU B 33 -12.752 -16.054 -6.683 1.00 63.35 O ATOM 0 H GLU B 33 -11.895 -12.738 -6.263 1.00 14.24 H new ATOM 0 HA GLU B 33 -13.295 -11.151 -8.004 1.00 24.13 H new ATOM 0 HB2 GLU B 33 -14.395 -13.204 -6.034 1.00 74.12 H new ATOM 0 HB3 GLU B 33 -15.127 -12.731 -7.554 1.00 74.12 H new ATOM 0 HG2 GLU B 33 -13.753 -14.079 -8.812 1.00 13.32 H new ATOM 0 HG3 GLU B 33 -12.375 -13.871 -7.749 1.00 13.32 H new ATOM 1106 N GLU B 34 -14.292 -10.772 -4.855 1.00 60.33 N ATOM 1107 CA GLU B 34 -15.019 -9.936 -3.913 1.00 62.33 C ATOM 1108 C GLU B 34 -14.307 -8.592 -3.763 1.00 31.31 C ATOM 1109 O GLU B 34 -14.932 -7.543 -3.880 1.00 41.43 O ATOM 1110 CB GLU B 34 -15.076 -10.627 -2.542 1.00 35.10 C ATOM 1111 CG GLU B 34 -15.823 -11.968 -2.510 1.00 2.02 C ATOM 1112 CD GLU B 34 -17.346 -11.840 -2.567 1.00 3.50 C ATOM 1113 OE1 GLU B 34 -17.947 -11.285 -1.615 1.00 61.12 O ATOM 1114 OE2 GLU B 34 -17.954 -12.386 -3.517 1.00 33.20 O ATOM 0 H GLU B 34 -13.817 -11.558 -4.410 1.00 60.33 H new ATOM 0 HA GLU B 34 -16.031 -9.778 -4.286 1.00 62.33 H new ATOM 0 HB2 GLU B 34 -14.056 -10.790 -2.194 1.00 35.10 H new ATOM 0 HB3 GLU B 34 -15.550 -9.949 -1.832 1.00 35.10 H new ATOM 0 HG2 GLU B 34 -15.489 -12.577 -3.350 1.00 2.02 H new ATOM 0 HG3 GLU B 34 -15.548 -12.502 -1.600 1.00 2.02 H new ATOM 1119 N MET B 35 -12.993 -8.603 -3.519 1.00 11.01 N ATOM 1120 CA MET B 35 -12.220 -7.379 -3.331 1.00 32.32 C ATOM 1121 C MET B 35 -12.351 -6.423 -4.522 1.00 2.22 C ATOM 1122 O MET B 35 -12.490 -5.217 -4.312 1.00 12.10 O ATOM 1123 CB MET B 35 -10.755 -7.712 -3.011 1.00 34.22 C ATOM 1124 CG MET B 35 -10.590 -8.474 -1.687 1.00 14.51 C ATOM 1125 SD MET B 35 -11.100 -7.605 -0.175 1.00 13.05 S ATOM 1126 CE MET B 35 -9.764 -6.397 -0.027 1.00 64.35 C ATOM 0 H MET B 35 -12.441 -9.458 -3.447 1.00 11.01 H new ATOM 0 HA MET B 35 -12.636 -6.849 -2.474 1.00 32.32 H new ATOM 0 HB2 MET B 35 -10.338 -8.309 -3.822 1.00 34.22 H new ATOM 0 HB3 MET B 35 -10.179 -6.788 -2.967 1.00 34.22 H new ATOM 0 HG2 MET B 35 -11.159 -9.401 -1.755 1.00 14.51 H new ATOM 0 HG3 MET B 35 -9.541 -8.751 -1.583 1.00 14.51 H new ATOM 0 HE1 MET B 35 -9.927 -5.780 0.857 1.00 64.35 H new ATOM 0 HE2 MET B 35 -8.811 -6.918 0.065 1.00 64.35 H new ATOM 0 HE3 MET B 35 -9.747 -5.763 -0.914 1.00 64.35 H new ATOM 1134 N TYR B 36 -12.289 -6.912 -5.764 1.00 71.51 N ATOM 1135 CA TYR B 36 -12.422 -6.049 -6.936 1.00 3.21 C ATOM 1136 C TYR B 36 -13.847 -5.487 -7.040 1.00 54.02 C ATOM 1137 O TYR B 36 -14.014 -4.374 -7.542 1.00 25.41 O ATOM 1138 CB TYR B 36 -11.952 -6.768 -8.215 1.00 20.13 C ATOM 1139 CG TYR B 36 -10.444 -6.667 -8.417 1.00 12.22 C ATOM 1140 CD1 TYR B 36 -9.879 -5.464 -8.883 1.00 12.33 C ATOM 1141 CD2 TYR B 36 -9.591 -7.734 -8.081 1.00 20.42 C ATOM 1142 CE1 TYR B 36 -8.485 -5.315 -8.988 1.00 5.40 C ATOM 1143 CE2 TYR B 36 -8.194 -7.581 -8.135 1.00 15.10 C ATOM 1144 CZ TYR B 36 -7.634 -6.374 -8.602 1.00 75.54 C ATOM 1145 OH TYR B 36 -6.283 -6.247 -8.640 1.00 22.44 O ATOM 0 H TYR B 36 -12.148 -7.899 -5.981 1.00 71.51 H new ATOM 0 HA TYR B 36 -11.761 -5.190 -6.817 1.00 3.21 H new ATOM 0 HB2 TYR B 36 -12.240 -7.818 -8.165 1.00 20.13 H new ATOM 0 HB3 TYR B 36 -12.461 -6.339 -9.078 1.00 20.13 H new ATOM 0 HD1 TYR B 36 -10.525 -4.645 -9.163 1.00 12.33 H new ATOM 0 HD2 TYR B 36 -10.013 -8.681 -7.778 1.00 20.42 H new ATOM 0 HE1 TYR B 36 -8.066 -4.393 -9.363 1.00 5.40 H new ATOM 0 HE2 TYR B 36 -7.550 -8.388 -7.819 1.00 15.10 H new ATOM 0 HH TYR B 36 -5.876 -6.900 -8.034 1.00 22.44 H new ATOM 1154 N ASP B 37 -14.869 -6.198 -6.556 1.00 3.00 N ATOM 1155 CA ASP B 37 -16.261 -5.742 -6.586 1.00 71.44 C ATOM 1156 C ASP B 37 -16.507 -4.687 -5.498 1.00 63.31 C ATOM 1157 O ASP B 37 -17.231 -3.713 -5.710 1.00 0.03 O ATOM 1158 CB ASP B 37 -17.199 -6.938 -6.388 1.00 34.55 C ATOM 1159 CG ASP B 37 -18.667 -6.550 -6.561 1.00 23.55 C ATOM 1160 OD1 ASP B 37 -19.307 -6.092 -5.593 1.00 33.22 O ATOM 1161 OD2 ASP B 37 -19.213 -6.722 -7.674 1.00 24.33 O ATOM 0 H ASP B 37 -14.752 -7.116 -6.128 1.00 3.00 H new ATOM 0 HA ASP B 37 -16.462 -5.285 -7.555 1.00 71.44 H new ATOM 0 HB2 ASP B 37 -16.944 -7.720 -7.103 1.00 34.55 H new ATOM 0 HB3 ASP B 37 -17.049 -7.355 -5.392 1.00 34.55 H new ATOM 1165 N ILE B 38 -15.867 -4.834 -4.338 1.00 25.34 N ATOM 1166 CA ILE B 38 -15.979 -3.940 -3.187 1.00 2.10 C ATOM 1167 C ILE B 38 -15.225 -2.635 -3.437 1.00 13.14 C ATOM 1168 O ILE B 38 -15.800 -1.549 -3.369 1.00 25.43 O ATOM 1169 CB ILE B 38 -15.488 -4.673 -1.914 1.00 60.21 C ATOM 1170 CG1 ILE B 38 -16.400 -5.877 -1.586 1.00 32.51 C ATOM 1171 CG2 ILE B 38 -15.441 -3.728 -0.696 1.00 0.30 C ATOM 1172 CD1 ILE B 38 -15.732 -6.877 -0.640 1.00 42.02 C ATOM 0 H ILE B 38 -15.230 -5.612 -4.168 1.00 25.34 H new ATOM 0 HA ILE B 38 -17.024 -3.668 -3.035 1.00 2.10 H new ATOM 0 HB ILE B 38 -14.478 -5.027 -2.121 1.00 60.21 H new ATOM 0 HG12 ILE B 38 -17.324 -5.516 -1.135 1.00 32.51 H new ATOM 0 HG13 ILE B 38 -16.674 -6.384 -2.511 1.00 32.51 H new ATOM 0 HG21 ILE B 38 -15.092 -4.278 0.178 1.00 0.30 H new ATOM 0 HG22 ILE B 38 -14.759 -2.903 -0.902 1.00 0.30 H new ATOM 0 HG23 ILE B 38 -16.439 -3.334 -0.502 1.00 0.30 H new ATOM 0 HD11 ILE B 38 -16.415 -7.703 -0.442 1.00 42.02 H new ATOM 0 HD12 ILE B 38 -14.822 -7.261 -1.100 1.00 42.02 H new ATOM 0 HD13 ILE B 38 -15.482 -6.380 0.298 1.00 42.02 H new ATOM 1183 N PHE B 39 -13.922 -2.707 -3.694 1.00 55.11 N ATOM 1184 CA PHE B 39 -13.115 -1.513 -3.911 1.00 43.43 C ATOM 1185 C PHE B 39 -13.373 -0.877 -5.278 1.00 22.45 C ATOM 1186 O PHE B 39 -13.207 0.336 -5.420 1.00 71.42 O ATOM 1187 CB PHE B 39 -11.652 -1.839 -3.593 1.00 71.22 C ATOM 1188 CG PHE B 39 -11.441 -2.121 -2.111 1.00 25.41 C ATOM 1189 CD1 PHE B 39 -11.743 -3.389 -1.574 1.00 23.34 C ATOM 1190 CD2 PHE B 39 -11.011 -1.099 -1.244 1.00 24.15 C ATOM 1191 CE1 PHE B 39 -11.622 -3.633 -0.198 1.00 20.22 C ATOM 1192 CE2 PHE B 39 -10.854 -1.358 0.131 1.00 23.21 C ATOM 1193 CZ PHE B 39 -11.152 -2.625 0.653 1.00 25.40 C ATOM 0 H PHE B 39 -13.403 -3.583 -3.757 1.00 55.11 H new ATOM 0 HA PHE B 39 -13.413 -0.723 -3.222 1.00 43.43 H new ATOM 0 HB2 PHE B 39 -11.338 -2.705 -4.175 1.00 71.22 H new ATOM 0 HB3 PHE B 39 -11.020 -1.005 -3.897 1.00 71.22 H new ATOM 0 HD1 PHE B 39 -12.071 -4.182 -2.230 1.00 23.34 H new ATOM 0 HD2 PHE B 39 -10.801 -0.114 -1.634 1.00 24.15 H new ATOM 0 HE1 PHE B 39 -11.891 -4.598 0.205 1.00 20.22 H new ATOM 0 HE2 PHE B 39 -10.502 -0.576 0.788 1.00 23.21 H new ATOM 0 HZ PHE B 39 -11.020 -2.822 1.707 1.00 25.40 H new ATOM 1202 N GLY B 40 -13.858 -1.643 -6.258 1.00 52.11 N ATOM 1203 CA GLY B 40 -14.146 -1.115 -7.585 1.00 20.24 C ATOM 1204 C GLY B 40 -15.481 -0.373 -7.646 1.00 14.01 C ATOM 1205 O GLY B 40 -15.795 0.262 -8.657 1.00 44.45 O ATOM 0 H GLY B 40 -14.059 -2.637 -6.152 1.00 52.11 H new ATOM 0 HA2 GLY B 40 -13.345 -0.439 -7.885 1.00 20.24 H new ATOM 0 HA3 GLY B 40 -14.157 -1.935 -8.303 1.00 20.24 H new ATOM 1209 N LYS B 41 -16.274 -0.427 -6.570 1.00 21.52 N ATOM 1210 CA LYS B 41 -17.579 0.218 -6.470 1.00 20.40 C ATOM 1211 C LYS B 41 -17.468 1.740 -6.571 1.00 31.12 C ATOM 1212 O LYS B 41 -18.426 2.399 -6.980 1.00 52.23 O ATOM 1213 CB LYS B 41 -18.192 -0.207 -5.123 1.00 4.32 C ATOM 1214 CG LYS B 41 -19.671 0.154 -4.956 1.00 0.01 C ATOM 1215 CD LYS B 41 -20.643 -0.737 -5.752 1.00 34.30 C ATOM 1216 CE LYS B 41 -20.741 -2.188 -5.254 1.00 63.42 C ATOM 1217 NZ LYS B 41 -21.010 -2.285 -3.800 1.00 42.23 N ATOM 0 H LYS B 41 -16.015 -0.935 -5.725 1.00 21.52 H new ATOM 0 HA LYS B 41 -18.216 -0.092 -7.299 1.00 20.40 H new ATOM 0 HB2 LYS B 41 -18.079 -1.285 -5.011 1.00 4.32 H new ATOM 0 HB3 LYS B 41 -17.624 0.258 -4.317 1.00 4.32 H new ATOM 0 HG2 LYS B 41 -19.928 0.095 -3.898 1.00 0.01 H new ATOM 0 HG3 LYS B 41 -19.815 1.190 -5.262 1.00 0.01 H new ATOM 0 HD2 LYS B 41 -21.636 -0.288 -5.718 1.00 34.30 H new ATOM 0 HD3 LYS B 41 -20.333 -0.746 -6.797 1.00 34.30 H new ATOM 0 HE2 LYS B 41 -21.533 -2.701 -5.799 1.00 63.42 H new ATOM 0 HE3 LYS B 41 -19.810 -2.708 -5.481 1.00 63.42 H new ATOM 0 HZ1 LYS B 41 -21.216 -3.273 -3.550 1.00 42.23 H new ATOM 0 HZ2 LYS B 41 -20.176 -1.961 -3.270 1.00 42.23 H new ATOM 0 HZ3 LYS B 41 -21.827 -1.689 -3.558 1.00 42.23 H new ATOM 1227 N TYR B 42 -16.312 2.292 -6.195 1.00 22.13 N ATOM 1228 CA TYR B 42 -16.045 3.721 -6.214 1.00 5.24 C ATOM 1229 C TYR B 42 -15.351 4.179 -7.503 1.00 23.22 C ATOM 1230 O TYR B 42 -15.494 5.350 -7.872 1.00 3.55 O ATOM 1231 CB TYR B 42 -15.236 4.081 -4.960 1.00 3.40 C ATOM 1232 CG TYR B 42 -15.990 3.809 -3.665 1.00 72.42 C ATOM 1233 CD1 TYR B 42 -17.065 4.640 -3.295 1.00 40.04 C ATOM 1234 CD2 TYR B 42 -15.649 2.714 -2.847 1.00 75.42 C ATOM 1235 CE1 TYR B 42 -17.794 4.391 -2.119 1.00 60.21 C ATOM 1236 CE2 TYR B 42 -16.380 2.450 -1.673 1.00 1.10 C ATOM 1237 CZ TYR B 42 -17.460 3.285 -1.306 1.00 11.44 C ATOM 1238 OH TYR B 42 -18.204 3.003 -0.198 1.00 54.22 O ATOM 0 H TYR B 42 -15.521 1.740 -5.862 1.00 22.13 H new ATOM 0 HA TYR B 42 -16.994 4.257 -6.202 1.00 5.24 H new ATOM 0 HB2 TYR B 42 -14.306 3.512 -4.959 1.00 3.40 H new ATOM 0 HB3 TYR B 42 -14.964 5.136 -5.001 1.00 3.40 H new ATOM 0 HD1 TYR B 42 -17.332 5.478 -3.922 1.00 40.04 H new ATOM 0 HD2 TYR B 42 -14.823 2.074 -3.122 1.00 75.42 H new ATOM 0 HE1 TYR B 42 -18.607 5.044 -1.838 1.00 60.21 H new ATOM 0 HE2 TYR B 42 -16.115 1.608 -1.051 1.00 1.10 H new ATOM 0 HH TYR B 42 -18.457 2.056 -0.206 1.00 54.22 H new ATOM 1247 N GLY B 43 -14.689 3.290 -8.248 1.00 51.14 N ATOM 1248 CA GLY B 43 -13.995 3.639 -9.481 1.00 44.12 C ATOM 1249 C GLY B 43 -12.899 2.615 -9.784 1.00 2.34 C ATOM 1250 O GLY B 43 -12.985 1.472 -9.316 1.00 3.44 O ATOM 0 H GLY B 43 -14.622 2.301 -8.007 1.00 51.14 H new ATOM 0 HA2 GLY B 43 -14.705 3.677 -10.307 1.00 44.12 H new ATOM 0 HA3 GLY B 43 -13.558 4.633 -9.391 1.00 44.12 H new ATOM 1254 N PRO B 44 -11.903 2.963 -10.611 1.00 21.21 N ATOM 1255 CA PRO B 44 -10.814 2.062 -10.938 1.00 73.43 C ATOM 1256 C PRO B 44 -9.897 1.915 -9.719 1.00 62.22 C ATOM 1257 O PRO B 44 -9.777 2.830 -8.903 1.00 23.22 O ATOM 1258 CB PRO B 44 -10.096 2.727 -12.112 1.00 31.43 C ATOM 1259 CG PRO B 44 -10.301 4.216 -11.848 1.00 55.22 C ATOM 1260 CD PRO B 44 -11.694 4.264 -11.226 1.00 71.11 C ATOM 0 HA PRO B 44 -11.146 1.058 -11.202 1.00 73.43 H new ATOM 0 HB2 PRO B 44 -9.038 2.465 -12.138 1.00 31.43 H new ATOM 0 HB3 PRO B 44 -10.523 2.425 -13.068 1.00 31.43 H new ATOM 0 HG2 PRO B 44 -9.543 4.615 -11.173 1.00 55.22 H new ATOM 0 HG3 PRO B 44 -10.249 4.800 -12.767 1.00 55.22 H new ATOM 0 HD2 PRO B 44 -11.764 5.061 -10.486 1.00 71.11 H new ATOM 0 HD3 PRO B 44 -12.453 4.464 -11.983 1.00 71.11 H new ATOM 1265 N ILE B 45 -9.234 0.766 -9.589 1.00 32.34 N ATOM 1266 CA ILE B 45 -8.318 0.509 -8.479 1.00 21.12 C ATOM 1267 C ILE B 45 -6.925 0.426 -9.086 1.00 21.21 C ATOM 1268 O ILE B 45 -6.742 -0.175 -10.153 1.00 11.51 O ATOM 1269 CB ILE B 45 -8.651 -0.782 -7.699 1.00 60.13 C ATOM 1270 CG1 ILE B 45 -10.157 -1.007 -7.440 1.00 75.54 C ATOM 1271 CG2 ILE B 45 -7.894 -0.741 -6.356 1.00 71.45 C ATOM 1272 CD1 ILE B 45 -10.428 -2.421 -6.914 1.00 2.04 C ATOM 0 H ILE B 45 -9.316 -0.009 -10.247 1.00 32.34 H new ATOM 0 HA ILE B 45 -8.400 1.311 -7.746 1.00 21.12 H new ATOM 0 HB ILE B 45 -8.337 -1.619 -8.322 1.00 60.13 H new ATOM 0 HG12 ILE B 45 -10.517 -0.273 -6.719 1.00 75.54 H new ATOM 0 HG13 ILE B 45 -10.714 -0.847 -8.363 1.00 75.54 H new ATOM 0 HG21 ILE B 45 -8.114 -1.644 -5.787 1.00 71.45 H new ATOM 0 HG22 ILE B 45 -6.822 -0.683 -6.544 1.00 71.45 H new ATOM 0 HG23 ILE B 45 -8.210 0.133 -5.787 1.00 71.45 H new ATOM 0 HD11 ILE B 45 -11.497 -2.547 -6.742 1.00 2.04 H new ATOM 0 HD12 ILE B 45 -10.090 -3.153 -7.647 1.00 2.04 H new ATOM 0 HD13 ILE B 45 -9.890 -2.570 -5.978 1.00 2.04 H new ATOM 1283 N ARG B 46 -5.941 1.040 -8.429 1.00 11.45 N ATOM 1284 CA ARG B 46 -4.573 1.017 -8.910 1.00 33.15 C ATOM 1285 C ARG B 46 -3.999 -0.365 -8.637 1.00 11.50 C ATOM 1286 O ARG B 46 -3.675 -1.067 -9.590 1.00 44.05 O ATOM 1287 CB ARG B 46 -3.746 2.141 -8.263 1.00 54.52 C ATOM 1288 CG ARG B 46 -2.542 2.612 -9.081 1.00 42.31 C ATOM 1289 CD ARG B 46 -1.558 1.484 -9.395 1.00 1.23 C ATOM 1290 NE ARG B 46 -0.309 2.013 -9.936 1.00 74.35 N ATOM 1291 CZ ARG B 46 0.013 2.248 -11.209 1.00 12.10 C ATOM 1292 NH1 ARG B 46 -0.826 2.001 -12.209 1.00 42.24 N ATOM 1293 NH2 ARG B 46 1.211 2.743 -11.462 1.00 43.15 N ATOM 0 H ARG B 46 -6.073 1.559 -7.561 1.00 11.45 H new ATOM 0 HA ARG B 46 -4.540 1.204 -9.983 1.00 33.15 H new ATOM 0 HB2 ARG B 46 -4.400 2.994 -8.082 1.00 54.52 H new ATOM 0 HB3 ARG B 46 -3.393 1.798 -7.290 1.00 54.52 H new ATOM 0 HG2 ARG B 46 -2.893 3.052 -10.015 1.00 42.31 H new ATOM 0 HG3 ARG B 46 -2.023 3.399 -8.534 1.00 42.31 H new ATOM 0 HD2 ARG B 46 -1.353 0.913 -8.489 1.00 1.23 H new ATOM 0 HD3 ARG B 46 -2.006 0.795 -10.111 1.00 1.23 H new ATOM 0 HE ARG B 46 0.413 2.232 -9.249 1.00 74.35 H new ATOM 0 HH11 ARG B 46 -1.752 1.619 -12.015 1.00 42.24 H new ATOM 0 HH12 ARG B 46 -0.545 2.194 -13.170 1.00 42.24 H new ATOM 0 HH21 ARG B 46 1.856 2.933 -10.695 1.00 43.15 H new ATOM 0 HH22 ARG B 46 1.491 2.935 -12.424 1.00 43.15 H new ATOM 1304 N GLN B 47 -3.828 -0.750 -7.370 1.00 1.43 N ATOM 1305 CA GLN B 47 -3.257 -2.046 -7.026 1.00 63.22 C ATOM 1306 C GLN B 47 -3.578 -2.431 -5.587 1.00 71.13 C ATOM 1307 O GLN B 47 -3.709 -1.558 -4.720 1.00 43.24 O ATOM 1308 CB GLN B 47 -1.736 -1.931 -7.184 1.00 2.11 C ATOM 1309 CG GLN B 47 -1.060 -3.286 -7.439 1.00 41.03 C ATOM 1310 CD GLN B 47 0.379 -3.114 -7.916 1.00 4.44 C ATOM 1311 OE1 GLN B 47 0.688 -2.218 -8.694 1.00 43.43 O ATOM 1312 NE2 GLN B 47 1.284 -3.976 -7.485 1.00 55.21 N ATOM 0 H GLN B 47 -4.080 -0.177 -6.565 1.00 1.43 H new ATOM 0 HA GLN B 47 -3.676 -2.812 -7.678 1.00 63.22 H new ATOM 0 HB2 GLN B 47 -1.511 -1.257 -8.010 1.00 2.11 H new ATOM 0 HB3 GLN B 47 -1.315 -1.484 -6.284 1.00 2.11 H new ATOM 0 HG2 GLN B 47 -1.072 -3.878 -6.524 1.00 41.03 H new ATOM 0 HG3 GLN B 47 -1.628 -3.842 -8.185 1.00 41.03 H new ATOM 0 HE21 GLN B 47 1.015 -4.717 -6.838 1.00 55.21 H new ATOM 0 HE22 GLN B 47 2.251 -3.900 -7.800 1.00 55.21 H new ATOM 1319 N ILE B 48 -3.610 -3.731 -5.294 1.00 64.42 N ATOM 1320 CA ILE B 48 -3.894 -4.270 -3.973 1.00 11.13 C ATOM 1321 C ILE B 48 -2.906 -5.401 -3.655 1.00 31.42 C ATOM 1322 O ILE B 48 -2.368 -6.092 -4.523 1.00 52.52 O ATOM 1323 CB ILE B 48 -5.383 -4.732 -3.915 1.00 31.41 C ATOM 1324 CG1 ILE B 48 -6.326 -3.505 -3.910 1.00 55.14 C ATOM 1325 CG2 ILE B 48 -5.672 -5.563 -2.648 1.00 2.10 C ATOM 1326 CD1 ILE B 48 -7.824 -3.797 -4.084 1.00 74.34 C ATOM 0 H ILE B 48 -3.434 -4.454 -5.991 1.00 64.42 H new ATOM 0 HA ILE B 48 -3.761 -3.506 -3.207 1.00 11.13 H new ATOM 0 HB ILE B 48 -5.560 -5.348 -4.797 1.00 31.41 H new ATOM 0 HG12 ILE B 48 -6.188 -2.972 -2.969 1.00 55.14 H new ATOM 0 HG13 ILE B 48 -6.014 -2.831 -4.707 1.00 55.14 H new ATOM 0 HG21 ILE B 48 -6.719 -5.867 -2.643 1.00 2.10 H new ATOM 0 HG22 ILE B 48 -5.037 -6.449 -2.641 1.00 2.10 H new ATOM 0 HG23 ILE B 48 -5.465 -4.961 -1.763 1.00 2.10 H new ATOM 0 HD11 ILE B 48 -8.382 -2.861 -4.064 1.00 74.34 H new ATOM 0 HD12 ILE B 48 -7.989 -4.297 -5.038 1.00 74.34 H new ATOM 0 HD13 ILE B 48 -8.166 -4.440 -3.273 1.00 74.34 H new ATOM 1337 N ARG B 49 -2.627 -5.569 -2.363 1.00 74.32 N ATOM 1338 CA ARG B 49 -1.776 -6.605 -1.790 1.00 20.21 C ATOM 1339 C ARG B 49 -2.558 -7.095 -0.564 1.00 1.01 C ATOM 1340 O ARG B 49 -3.480 -6.399 -0.123 1.00 51.15 O ATOM 1341 CB ARG B 49 -0.347 -6.105 -1.461 1.00 11.01 C ATOM 1342 CG ARG B 49 0.400 -5.467 -2.649 1.00 1.42 C ATOM 1343 CD ARG B 49 1.923 -5.449 -2.453 1.00 65.51 C ATOM 1344 NE ARG B 49 2.627 -4.922 -3.638 1.00 12.12 N ATOM 1345 CZ ARG B 49 3.946 -5.029 -3.855 1.00 1.41 C ATOM 1346 NH1 ARG B 49 4.765 -5.439 -2.891 1.00 52.42 N ATOM 1347 NH2 ARG B 49 4.458 -4.736 -5.044 1.00 1.13 N ATOM 0 H ARG B 49 -3.012 -4.949 -1.650 1.00 74.32 H new ATOM 0 HA ARG B 49 -1.582 -7.416 -2.492 1.00 20.21 H new ATOM 0 HB2 ARG B 49 -0.409 -5.375 -0.654 1.00 11.01 H new ATOM 0 HB3 ARG B 49 0.240 -6.944 -1.088 1.00 11.01 H new ATOM 0 HG2 ARG B 49 0.162 -6.017 -3.560 1.00 1.42 H new ATOM 0 HG3 ARG B 49 0.044 -4.446 -2.790 1.00 1.42 H new ATOM 0 HD2 ARG B 49 2.169 -4.839 -1.584 1.00 65.51 H new ATOM 0 HD3 ARG B 49 2.273 -6.460 -2.243 1.00 65.51 H new ATOM 0 HE ARG B 49 2.069 -4.441 -4.344 1.00 12.12 H new ATOM 0 HH11 ARG B 49 4.392 -5.677 -1.972 1.00 52.42 H new ATOM 0 HH12 ARG B 49 5.766 -5.516 -3.071 1.00 52.42 H new ATOM 0 HH21 ARG B 49 3.847 -4.427 -5.800 1.00 1.13 H new ATOM 0 HH22 ARG B 49 5.462 -4.820 -5.202 1.00 1.13 H new ATOM 1358 N VAL B 50 -2.248 -8.244 0.021 1.00 4.30 N ATOM 1359 CA VAL B 50 -2.951 -8.759 1.196 1.00 24.35 C ATOM 1360 C VAL B 50 -1.940 -9.468 2.089 1.00 73.23 C ATOM 1361 O VAL B 50 -0.955 -10.019 1.585 1.00 11.14 O ATOM 1362 CB VAL B 50 -4.118 -9.695 0.798 1.00 51.21 C ATOM 1363 CG1 VAL B 50 -5.281 -8.924 0.158 1.00 33.52 C ATOM 1364 CG2 VAL B 50 -3.701 -10.825 -0.157 1.00 74.22 C ATOM 0 H VAL B 50 -1.497 -8.852 -0.306 1.00 4.30 H new ATOM 0 HA VAL B 50 -3.401 -7.931 1.743 1.00 24.35 H new ATOM 0 HB VAL B 50 -4.440 -10.143 1.738 1.00 51.21 H new ATOM 0 HG11 VAL B 50 -6.078 -9.620 -0.106 1.00 33.52 H new ATOM 0 HG12 VAL B 50 -5.662 -8.187 0.865 1.00 33.52 H new ATOM 0 HG13 VAL B 50 -4.930 -8.417 -0.741 1.00 33.52 H new ATOM 0 HG21 VAL B 50 -4.569 -11.441 -0.393 1.00 74.22 H new ATOM 0 HG22 VAL B 50 -3.300 -10.396 -1.075 1.00 74.22 H new ATOM 0 HG23 VAL B 50 -2.938 -11.441 0.319 1.00 74.22 H new ATOM 1374 N GLY B 51 -2.174 -9.451 3.403 1.00 11.11 N ATOM 1375 CA GLY B 51 -1.287 -10.102 4.351 1.00 60.41 C ATOM 1376 C GLY B 51 -1.228 -11.591 4.028 1.00 15.40 C ATOM 1377 O GLY B 51 -2.252 -12.187 3.681 1.00 72.14 O ATOM 0 H GLY B 51 -2.977 -8.989 3.830 1.00 11.11 H new ATOM 0 HA2 GLY B 51 -0.290 -9.664 4.297 1.00 60.41 H new ATOM 0 HA3 GLY B 51 -1.646 -9.951 5.369 1.00 60.41 H new ATOM 1381 N ASN B 52 -0.043 -12.193 4.104 1.00 75.52 N ATOM 1382 CA ASN B 52 0.173 -13.616 3.817 1.00 63.34 C ATOM 1383 C ASN B 52 0.862 -14.343 4.971 1.00 54.15 C ATOM 1384 O ASN B 52 0.965 -15.569 4.936 1.00 4.32 O ATOM 1385 CB ASN B 52 0.927 -13.790 2.482 1.00 12.10 C ATOM 1386 CG ASN B 52 -0.003 -14.065 1.309 1.00 51.52 C ATOM 1387 OD1 ASN B 52 0.281 -14.899 0.458 1.00 21.43 O ATOM 1388 ND2 ASN B 52 -1.136 -13.392 1.215 1.00 5.53 N ATOM 0 H ASN B 52 0.810 -11.701 4.371 1.00 75.52 H new ATOM 0 HA ASN B 52 -0.805 -14.086 3.711 1.00 63.34 H new ATOM 0 HB2 ASN B 52 1.506 -12.889 2.277 1.00 12.10 H new ATOM 0 HB3 ASN B 52 1.638 -14.611 2.576 1.00 12.10 H new ATOM 0 HD21 ASN B 52 -1.770 -13.568 0.436 1.00 5.53 H new ATOM 0 HD22 ASN B 52 -1.376 -12.697 1.922 1.00 5.53 H new ATOM 1394 N THR B 53 1.350 -13.615 5.968 1.00 23.32 N ATOM 1395 CA THR B 53 2.007 -14.117 7.167 1.00 64.24 C ATOM 1396 C THR B 53 0.919 -14.213 8.248 1.00 63.11 C ATOM 1397 O THR B 53 -0.115 -13.541 8.147 1.00 53.44 O ATOM 1398 CB THR B 53 3.193 -13.197 7.568 1.00 41.02 C ATOM 1399 OG1 THR B 53 3.183 -11.953 6.874 1.00 20.13 O ATOM 1400 CG2 THR B 53 4.531 -13.858 7.229 1.00 12.13 C ATOM 0 H THR B 53 1.294 -12.597 5.960 1.00 23.32 H new ATOM 0 HA THR B 53 2.452 -15.100 7.012 1.00 64.24 H new ATOM 0 HB THR B 53 3.078 -13.030 8.639 1.00 41.02 H new ATOM 0 HG1 THR B 53 3.947 -11.411 7.163 1.00 20.13 H new ATOM 0 HG21 THR B 53 5.347 -13.196 7.518 1.00 12.13 H new ATOM 0 HG22 THR B 53 4.619 -14.800 7.770 1.00 12.13 H new ATOM 0 HG23 THR B 53 4.581 -14.049 6.157 1.00 12.13 H new ATOM 1408 N PRO B 54 1.128 -15.011 9.305 1.00 14.35 N ATOM 1409 CA PRO B 54 0.140 -15.161 10.365 1.00 2.54 C ATOM 1410 C PRO B 54 -0.177 -13.835 11.066 1.00 45.11 C ATOM 1411 O PRO B 54 -1.316 -13.651 11.484 1.00 44.43 O ATOM 1412 CB PRO B 54 0.709 -16.217 11.316 1.00 11.30 C ATOM 1413 CG PRO B 54 2.209 -16.216 11.028 1.00 65.32 C ATOM 1414 CD PRO B 54 2.288 -15.850 9.554 1.00 2.35 C ATOM 0 HA PRO B 54 -0.823 -15.479 9.964 1.00 2.54 H new ATOM 0 HB2 PRO B 54 0.504 -15.967 12.357 1.00 11.30 H new ATOM 0 HB3 PRO B 54 0.269 -17.197 11.131 1.00 11.30 H new ATOM 0 HG2 PRO B 54 2.736 -15.493 11.650 1.00 65.32 H new ATOM 0 HG3 PRO B 54 2.656 -17.191 11.224 1.00 65.32 H new ATOM 0 HD2 PRO B 54 3.213 -15.319 9.330 1.00 2.35 H new ATOM 0 HD3 PRO B 54 2.271 -16.741 8.926 1.00 2.35 H new ATOM 1419 N GLU B 55 0.783 -12.904 11.126 1.00 54.44 N ATOM 1420 CA GLU B 55 0.627 -11.600 11.763 1.00 31.32 C ATOM 1421 C GLU B 55 0.144 -10.510 10.783 1.00 35.43 C ATOM 1422 O GLU B 55 0.044 -9.352 11.185 1.00 13.24 O ATOM 1423 CB GLU B 55 1.962 -11.237 12.450 1.00 74.12 C ATOM 1424 CG GLU B 55 1.824 -10.130 13.509 1.00 42.35 C ATOM 1425 CD GLU B 55 3.096 -9.962 14.337 1.00 35.11 C ATOM 1426 OE1 GLU B 55 3.243 -10.666 15.362 1.00 1.01 O ATOM 1427 OE2 GLU B 55 3.909 -9.065 14.026 1.00 43.21 O ATOM 0 H GLU B 55 1.709 -13.044 10.722 1.00 54.44 H new ATOM 0 HA GLU B 55 -0.161 -11.657 12.514 1.00 31.32 H new ATOM 0 HB2 GLU B 55 2.374 -12.130 12.920 1.00 74.12 H new ATOM 0 HB3 GLU B 55 2.677 -10.917 11.692 1.00 74.12 H new ATOM 0 HG2 GLU B 55 1.585 -9.187 13.017 1.00 42.35 H new ATOM 0 HG3 GLU B 55 0.990 -10.364 14.171 1.00 42.35 H new ATOM 1432 N THR B 56 -0.132 -10.811 9.507 1.00 35.53 N ATOM 1433 CA THR B 56 -0.605 -9.807 8.537 1.00 5.44 C ATOM 1434 C THR B 56 -2.017 -10.108 8.025 1.00 75.24 C ATOM 1435 O THR B 56 -2.776 -9.187 7.695 1.00 51.13 O ATOM 1436 CB THR B 56 0.404 -9.657 7.388 1.00 14.21 C ATOM 1437 OG1 THR B 56 0.664 -10.892 6.762 1.00 5.32 O ATOM 1438 CG2 THR B 56 1.744 -9.102 7.861 1.00 71.43 C ATOM 0 H THR B 56 -0.036 -11.749 9.118 1.00 35.53 H new ATOM 0 HA THR B 56 -0.673 -8.851 9.057 1.00 5.44 H new ATOM 0 HB THR B 56 -0.059 -8.961 6.689 1.00 14.21 H new ATOM 0 HG1 THR B 56 1.609 -11.125 6.877 1.00 5.32 H new ATOM 0 HG21 THR B 56 2.422 -9.015 7.012 1.00 71.43 H new ATOM 0 HG22 THR B 56 1.594 -8.119 8.307 1.00 71.43 H new ATOM 0 HG23 THR B 56 2.175 -9.775 8.602 1.00 71.43 H new ATOM 1446 N ARG B 57 -2.373 -11.397 7.937 1.00 40.05 N ATOM 1447 CA ARG B 57 -3.681 -11.860 7.477 1.00 4.15 C ATOM 1448 C ARG B 57 -4.764 -11.179 8.322 1.00 44.01 C ATOM 1449 O ARG B 57 -4.630 -11.096 9.543 1.00 14.32 O ATOM 1450 CB ARG B 57 -3.732 -13.393 7.593 1.00 13.13 C ATOM 1451 CG ARG B 57 -2.971 -14.109 6.455 1.00 62.22 C ATOM 1452 CD ARG B 57 -2.777 -15.615 6.713 1.00 3.41 C ATOM 1453 NE ARG B 57 -4.058 -16.259 7.046 1.00 22.22 N ATOM 1454 CZ ARG B 57 -4.352 -16.831 8.217 1.00 0.14 C ATOM 1455 NH1 ARG B 57 -3.413 -17.419 8.944 1.00 52.21 N ATOM 1456 NH2 ARG B 57 -5.604 -16.776 8.656 1.00 23.42 N ATOM 0 H ARG B 57 -1.744 -12.159 8.190 1.00 40.05 H new ATOM 0 HA ARG B 57 -3.853 -11.599 6.433 1.00 4.15 H new ATOM 0 HB2 ARG B 57 -3.309 -13.694 8.551 1.00 13.13 H new ATOM 0 HB3 ARG B 57 -4.772 -13.718 7.588 1.00 13.13 H new ATOM 0 HG2 ARG B 57 -3.515 -13.974 5.520 1.00 62.22 H new ATOM 0 HG3 ARG B 57 -1.996 -13.640 6.327 1.00 62.22 H new ATOM 0 HD2 ARG B 57 -2.347 -16.087 5.830 1.00 3.41 H new ATOM 0 HD3 ARG B 57 -2.069 -15.760 7.529 1.00 3.41 H new ATOM 0 HE ARG B 57 -4.779 -16.269 6.325 1.00 22.22 H new ATOM 0 HH11 ARG B 57 -2.449 -17.440 8.612 1.00 52.21 H new ATOM 0 HH12 ARG B 57 -3.654 -17.851 9.836 1.00 52.21 H new ATOM 0 HH21 ARG B 57 -6.318 -16.304 8.102 1.00 23.42 H new ATOM 0 HH22 ARG B 57 -5.851 -17.206 9.547 1.00 23.42 H new ATOM 1467 N GLY B 58 -5.830 -10.698 7.681 1.00 54.13 N ATOM 1468 CA GLY B 58 -6.936 -10.007 8.337 1.00 40.34 C ATOM 1469 C GLY B 58 -6.892 -8.493 8.113 1.00 22.42 C ATOM 1470 O GLY B 58 -7.814 -7.791 8.539 1.00 15.14 O ATOM 0 H GLY B 58 -5.949 -10.781 6.671 1.00 54.13 H new ATOM 0 HA2 GLY B 58 -7.881 -10.400 7.961 1.00 40.34 H new ATOM 0 HA3 GLY B 58 -6.907 -10.214 9.407 1.00 40.34 H new ATOM 1474 N THR B 59 -5.843 -7.961 7.476 1.00 64.32 N ATOM 1475 CA THR B 59 -5.692 -6.538 7.187 1.00 34.41 C ATOM 1476 C THR B 59 -5.034 -6.379 5.811 1.00 63.41 C ATOM 1477 O THR B 59 -4.399 -7.324 5.324 1.00 23.14 O ATOM 1478 CB THR B 59 -4.895 -5.840 8.304 1.00 44.55 C ATOM 1479 OG1 THR B 59 -3.554 -6.290 8.394 1.00 1.30 O ATOM 1480 CG2 THR B 59 -5.496 -5.995 9.703 1.00 20.43 C ATOM 0 H THR B 59 -5.061 -8.523 7.141 1.00 64.32 H new ATOM 0 HA THR B 59 -6.668 -6.054 7.157 1.00 34.41 H new ATOM 0 HB THR B 59 -4.938 -4.794 8.002 1.00 44.55 H new ATOM 0 HG1 THR B 59 -3.505 -7.229 8.119 1.00 1.30 H new ATOM 0 HG21 THR B 59 -4.871 -5.473 10.427 1.00 20.43 H new ATOM 0 HG22 THR B 59 -6.500 -5.570 9.717 1.00 20.43 H new ATOM 0 HG23 THR B 59 -5.546 -7.052 9.962 1.00 20.43 H new ATOM 1488 N ALA B 60 -5.194 -5.222 5.162 1.00 0.52 N ATOM 1489 CA ALA B 60 -4.609 -4.946 3.855 1.00 14.31 C ATOM 1490 C ALA B 60 -4.637 -3.449 3.561 1.00 0.02 C ATOM 1491 O ALA B 60 -5.427 -2.706 4.132 1.00 31.24 O ATOM 1492 CB ALA B 60 -5.386 -5.688 2.764 1.00 51.22 C ATOM 0 H ALA B 60 -5.739 -4.446 5.536 1.00 0.52 H new ATOM 0 HA ALA B 60 -3.574 -5.289 3.865 1.00 14.31 H new ATOM 0 HB1 ALA B 60 -4.941 -5.475 1.792 1.00 51.22 H new ATOM 0 HB2 ALA B 60 -5.346 -6.761 2.954 1.00 51.22 H new ATOM 0 HB3 ALA B 60 -6.425 -5.357 2.768 1.00 51.22 H new ATOM 1498 N TYR B 61 -3.802 -3.023 2.622 1.00 42.01 N ATOM 1499 CA TYR B 61 -3.637 -1.658 2.150 1.00 11.31 C ATOM 1500 C TYR B 61 -4.034 -1.648 0.672 1.00 23.50 C ATOM 1501 O TYR B 61 -3.590 -2.528 -0.084 1.00 41.34 O ATOM 1502 CB TYR B 61 -2.182 -1.176 2.315 1.00 32.24 C ATOM 1503 CG TYR B 61 -1.521 -1.395 3.666 1.00 35.12 C ATOM 1504 CD1 TYR B 61 -1.060 -2.678 4.024 1.00 53.31 C ATOM 1505 CD2 TYR B 61 -1.310 -0.313 4.543 1.00 33.43 C ATOM 1506 CE1 TYR B 61 -0.437 -2.889 5.263 1.00 31.20 C ATOM 1507 CE2 TYR B 61 -0.668 -0.518 5.782 1.00 63.14 C ATOM 1508 CZ TYR B 61 -0.231 -1.812 6.150 1.00 0.23 C ATOM 1509 OH TYR B 61 0.400 -2.021 7.342 1.00 34.20 O ATOM 0 H TYR B 61 -3.179 -3.669 2.137 1.00 42.01 H new ATOM 0 HA TYR B 61 -4.261 -0.981 2.733 1.00 11.31 H new ATOM 0 HB2 TYR B 61 -1.575 -1.673 1.559 1.00 32.24 H new ATOM 0 HB3 TYR B 61 -2.154 -0.109 2.095 1.00 32.24 H new ATOM 0 HD1 TYR B 61 -1.187 -3.504 3.340 1.00 53.31 H new ATOM 0 HD2 TYR B 61 -1.641 0.677 4.266 1.00 33.43 H new ATOM 0 HE1 TYR B 61 -0.113 -3.882 5.539 1.00 31.20 H new ATOM 0 HE2 TYR B 61 -0.510 0.315 6.451 1.00 63.14 H new ATOM 0 HH TYR B 61 0.462 -1.175 7.832 1.00 34.20 H new ATOM 1518 N VAL B 62 -4.852 -0.685 0.252 1.00 40.04 N ATOM 1519 CA VAL B 62 -5.338 -0.527 -1.118 1.00 22.23 C ATOM 1520 C VAL B 62 -4.711 0.735 -1.692 1.00 40.54 C ATOM 1521 O VAL B 62 -4.421 1.661 -0.935 1.00 11.13 O ATOM 1522 CB VAL B 62 -6.883 -0.462 -1.085 1.00 43.23 C ATOM 1523 CG1 VAL B 62 -7.505 -0.180 -2.462 1.00 3.44 C ATOM 1524 CG2 VAL B 62 -7.419 -1.783 -0.510 1.00 51.14 C ATOM 0 H VAL B 62 -5.208 0.035 0.881 1.00 40.04 H new ATOM 0 HA VAL B 62 -5.059 -1.365 -1.756 1.00 22.23 H new ATOM 0 HB VAL B 62 -7.170 0.377 -0.451 1.00 43.23 H new ATOM 0 HG11 VAL B 62 -8.591 -0.147 -2.371 1.00 3.44 H new ATOM 0 HG12 VAL B 62 -7.143 0.778 -2.836 1.00 3.44 H new ATOM 0 HG13 VAL B 62 -7.223 -0.971 -3.157 1.00 3.44 H new ATOM 0 HG21 VAL B 62 -8.508 -1.752 -0.481 1.00 51.14 H new ATOM 0 HG22 VAL B 62 -7.097 -2.612 -1.141 1.00 51.14 H new ATOM 0 HG23 VAL B 62 -7.033 -1.924 0.500 1.00 51.14 H new ATOM 1534 N VAL B 63 -4.496 0.790 -3.010 1.00 20.34 N ATOM 1535 CA VAL B 63 -3.912 1.942 -3.674 1.00 13.02 C ATOM 1536 C VAL B 63 -4.887 2.381 -4.753 1.00 55.13 C ATOM 1537 O VAL B 63 -5.285 1.563 -5.591 1.00 2.04 O ATOM 1538 CB VAL B 63 -2.535 1.583 -4.266 1.00 62.15 C ATOM 1539 CG1 VAL B 63 -1.803 2.829 -4.786 1.00 72.43 C ATOM 1540 CG2 VAL B 63 -1.663 0.872 -3.226 1.00 23.35 C ATOM 0 H VAL B 63 -4.727 0.026 -3.645 1.00 20.34 H new ATOM 0 HA VAL B 63 -3.746 2.757 -2.970 1.00 13.02 H new ATOM 0 HB VAL B 63 -2.712 0.911 -5.105 1.00 62.15 H new ATOM 0 HG11 VAL B 63 -0.836 2.538 -5.196 1.00 72.43 H new ATOM 0 HG12 VAL B 63 -2.400 3.303 -5.565 1.00 72.43 H new ATOM 0 HG13 VAL B 63 -1.653 3.531 -3.966 1.00 72.43 H new ATOM 0 HG21 VAL B 63 -0.696 0.629 -3.667 1.00 23.35 H new ATOM 0 HG22 VAL B 63 -1.516 1.526 -2.367 1.00 23.35 H new ATOM 0 HG23 VAL B 63 -2.156 -0.045 -2.904 1.00 23.35 H new ATOM 1550 N TYR B 64 -5.276 3.653 -4.723 1.00 32.30 N ATOM 1551 CA TYR B 64 -6.176 4.228 -5.709 1.00 33.13 C ATOM 1552 C TYR B 64 -5.321 4.949 -6.747 1.00 53.44 C ATOM 1553 O TYR B 64 -4.116 5.186 -6.561 1.00 31.40 O ATOM 1554 CB TYR B 64 -7.236 5.110 -5.045 1.00 53.34 C ATOM 1555 CG TYR B 64 -8.464 4.304 -4.671 1.00 21.53 C ATOM 1556 CD1 TYR B 64 -9.377 3.925 -5.675 1.00 20.12 C ATOM 1557 CD2 TYR B 64 -8.660 3.870 -3.346 1.00 63.21 C ATOM 1558 CE1 TYR B 64 -10.470 3.097 -5.368 1.00 40.22 C ATOM 1559 CE2 TYR B 64 -9.768 3.064 -3.026 1.00 62.24 C ATOM 1560 CZ TYR B 64 -10.671 2.664 -4.040 1.00 32.54 C ATOM 1561 OH TYR B 64 -11.717 1.846 -3.731 1.00 35.33 O ATOM 0 H TYR B 64 -4.972 4.314 -4.008 1.00 32.30 H new ATOM 0 HA TYR B 64 -6.752 3.456 -6.220 1.00 33.13 H new ATOM 0 HB2 TYR B 64 -6.818 5.576 -4.153 1.00 53.34 H new ATOM 0 HB3 TYR B 64 -7.519 5.916 -5.723 1.00 53.34 H new ATOM 0 HD1 TYR B 64 -9.236 4.273 -6.687 1.00 20.12 H new ATOM 0 HD2 TYR B 64 -7.960 4.156 -2.575 1.00 63.21 H new ATOM 0 HE1 TYR B 64 -11.154 2.793 -6.146 1.00 40.22 H new ATOM 0 HE2 TYR B 64 -9.930 2.750 -2.005 1.00 62.24 H new ATOM 0 HH TYR B 64 -12.060 1.430 -4.549 1.00 35.33 H new ATOM 1570 N GLU B 65 -5.928 5.203 -7.901 1.00 73.15 N ATOM 1571 CA GLU B 65 -5.252 5.848 -9.013 1.00 41.44 C ATOM 1572 C GLU B 65 -5.054 7.339 -8.766 1.00 40.01 C ATOM 1573 O GLU B 65 -4.096 7.919 -9.279 1.00 64.43 O ATOM 1574 CB GLU B 65 -6.022 5.590 -10.313 1.00 12.14 C ATOM 1575 CG GLU B 65 -6.289 4.094 -10.544 1.00 23.53 C ATOM 1576 CD GLU B 65 -6.608 3.768 -11.999 1.00 64.43 C ATOM 1577 OE1 GLU B 65 -7.296 4.581 -12.654 1.00 71.55 O ATOM 1578 OE2 GLU B 65 -6.059 2.753 -12.486 1.00 44.23 O ATOM 0 H GLU B 65 -6.902 4.966 -8.089 1.00 73.15 H new ATOM 0 HA GLU B 65 -4.257 5.414 -9.107 1.00 41.44 H new ATOM 0 HB2 GLU B 65 -6.971 6.126 -10.284 1.00 12.14 H new ATOM 0 HB3 GLU B 65 -5.456 5.990 -11.154 1.00 12.14 H new ATOM 0 HG2 GLU B 65 -5.416 3.521 -10.231 1.00 23.53 H new ATOM 0 HG3 GLU B 65 -7.120 3.777 -9.915 1.00 23.53 H new ATOM 1583 N ASP B 66 -5.965 7.973 -8.032 1.00 22.35 N ATOM 1584 CA ASP B 66 -5.916 9.383 -7.688 1.00 22.40 C ATOM 1585 C ASP B 66 -5.965 9.538 -6.174 1.00 55.23 C ATOM 1586 O ASP B 66 -6.094 8.568 -5.425 1.00 11.32 O ATOM 1587 CB ASP B 66 -7.092 10.133 -8.348 1.00 34.11 C ATOM 1588 CG ASP B 66 -6.676 11.130 -9.421 1.00 63.14 C ATOM 1589 OD1 ASP B 66 -5.588 11.742 -9.322 1.00 41.43 O ATOM 1590 OD2 ASP B 66 -7.456 11.295 -10.389 1.00 33.12 O ATOM 0 H ASP B 66 -6.783 7.499 -7.650 1.00 22.35 H new ATOM 0 HA ASP B 66 -4.986 9.813 -8.058 1.00 22.40 H new ATOM 0 HB2 ASP B 66 -7.771 9.403 -8.790 1.00 34.11 H new ATOM 0 HB3 ASP B 66 -7.651 10.661 -7.575 1.00 34.11 H new ATOM 1594 N ILE B 67 -5.771 10.770 -5.704 1.00 13.02 N ATOM 1595 CA ILE B 67 -5.864 11.086 -4.281 1.00 61.21 C ATOM 1596 C ILE B 67 -7.285 11.609 -4.002 1.00 60.11 C ATOM 1597 O ILE B 67 -7.814 11.444 -2.903 1.00 24.40 O ATOM 1598 CB ILE B 67 -4.731 12.036 -3.838 1.00 21.30 C ATOM 1599 CG1 ILE B 67 -4.816 12.240 -2.310 1.00 23.54 C ATOM 1600 CG2 ILE B 67 -4.731 13.374 -4.601 1.00 42.52 C ATOM 1601 CD1 ILE B 67 -3.513 12.740 -1.688 1.00 33.23 C ATOM 0 H ILE B 67 -5.547 11.571 -6.295 1.00 13.02 H new ATOM 0 HA ILE B 67 -5.713 10.195 -3.671 1.00 61.21 H new ATOM 0 HB ILE B 67 -3.778 11.571 -4.088 1.00 21.30 H new ATOM 0 HG12 ILE B 67 -5.611 12.953 -2.090 1.00 23.54 H new ATOM 0 HG13 ILE B 67 -5.095 11.297 -1.841 1.00 23.54 H new ATOM 0 HG21 ILE B 67 -3.911 13.997 -4.243 1.00 42.52 H new ATOM 0 HG22 ILE B 67 -4.605 13.185 -5.667 1.00 42.52 H new ATOM 0 HG23 ILE B 67 -5.677 13.889 -4.433 1.00 42.52 H new ATOM 0 HD11 ILE B 67 -3.646 12.861 -0.613 1.00 33.23 H new ATOM 0 HD12 ILE B 67 -2.719 12.017 -1.877 1.00 33.23 H new ATOM 0 HD13 ILE B 67 -3.243 13.699 -2.130 1.00 33.23 H new ATOM 1612 N PHE B 68 -7.910 12.236 -5.007 1.00 64.21 N ATOM 1613 CA PHE B 68 -9.241 12.812 -4.949 1.00 20.31 C ATOM 1614 C PHE B 68 -10.266 11.714 -4.678 1.00 63.42 C ATOM 1615 O PHE B 68 -10.929 11.742 -3.639 1.00 51.44 O ATOM 1616 CB PHE B 68 -9.550 13.589 -6.246 1.00 4.03 C ATOM 1617 CG PHE B 68 -8.407 14.423 -6.804 1.00 34.22 C ATOM 1618 CD1 PHE B 68 -7.669 15.278 -5.964 1.00 75.34 C ATOM 1619 CD2 PHE B 68 -8.045 14.304 -8.160 1.00 31.24 C ATOM 1620 CE1 PHE B 68 -6.552 15.964 -6.466 1.00 41.53 C ATOM 1621 CE2 PHE B 68 -6.938 15.005 -8.664 1.00 0.24 C ATOM 1622 CZ PHE B 68 -6.183 15.829 -7.814 1.00 53.35 C ATOM 0 H PHE B 68 -7.473 12.356 -5.921 1.00 64.21 H new ATOM 0 HA PHE B 68 -9.294 13.527 -4.128 1.00 20.31 H new ATOM 0 HB2 PHE B 68 -9.861 12.876 -7.009 1.00 4.03 H new ATOM 0 HB3 PHE B 68 -10.398 14.247 -6.060 1.00 4.03 H new ATOM 0 HD1 PHE B 68 -7.962 15.406 -4.933 1.00 75.34 H new ATOM 0 HD2 PHE B 68 -8.623 13.670 -8.816 1.00 31.24 H new ATOM 0 HE1 PHE B 68 -5.973 16.599 -5.812 1.00 41.53 H new ATOM 0 HE2 PHE B 68 -6.667 14.911 -9.705 1.00 0.24 H new ATOM 0 HZ PHE B 68 -5.322 16.357 -8.196 1.00 53.35 H new ATOM 1631 N ASP B 69 -10.385 10.753 -5.595 1.00 24.20 N ATOM 1632 CA ASP B 69 -11.314 9.633 -5.499 1.00 21.50 C ATOM 1633 C ASP B 69 -11.036 8.786 -4.257 1.00 51.45 C ATOM 1634 O ASP B 69 -11.984 8.344 -3.605 1.00 20.43 O ATOM 1635 CB ASP B 69 -11.304 8.797 -6.787 1.00 11.11 C ATOM 1636 CG ASP B 69 -10.070 7.908 -6.987 1.00 13.44 C ATOM 1637 OD1 ASP B 69 -8.960 8.329 -6.608 1.00 13.42 O ATOM 1638 OD2 ASP B 69 -10.251 6.826 -7.596 1.00 11.01 O ATOM 0 H ASP B 69 -9.822 10.734 -6.446 1.00 24.20 H new ATOM 0 HA ASP B 69 -12.321 10.036 -5.387 1.00 21.50 H new ATOM 0 HB2 ASP B 69 -12.191 8.164 -6.796 1.00 11.11 H new ATOM 0 HB3 ASP B 69 -11.386 9.472 -7.639 1.00 11.11 H new ATOM 1642 N ALA B 70 -9.766 8.641 -3.868 1.00 21.21 N ATOM 1643 CA ALA B 70 -9.366 7.885 -2.692 1.00 43.02 C ATOM 1644 C ALA B 70 -9.992 8.535 -1.458 1.00 45.43 C ATOM 1645 O ALA B 70 -10.695 7.872 -0.698 1.00 72.42 O ATOM 1646 CB ALA B 70 -7.838 7.847 -2.571 1.00 11.24 C ATOM 0 H ALA B 70 -8.981 9.053 -4.372 1.00 21.21 H new ATOM 0 HA ALA B 70 -9.715 6.856 -2.779 1.00 43.02 H new ATOM 0 HB1 ALA B 70 -7.557 7.277 -1.685 1.00 11.24 H new ATOM 0 HB2 ALA B 70 -7.415 7.373 -3.457 1.00 11.24 H new ATOM 0 HB3 ALA B 70 -7.454 8.864 -2.485 1.00 11.24 H new ATOM 1652 N LYS B 71 -9.750 9.839 -1.251 1.00 32.51 N ATOM 1653 CA LYS B 71 -10.300 10.567 -0.109 1.00 2.50 C ATOM 1654 C LYS B 71 -11.825 10.584 -0.143 1.00 24.10 C ATOM 1655 O LYS B 71 -12.425 10.515 0.928 1.00 60.41 O ATOM 1656 CB LYS B 71 -9.744 12.005 -0.049 1.00 0.00 C ATOM 1657 CG LYS B 71 -8.613 12.185 0.965 1.00 43.32 C ATOM 1658 CD LYS B 71 -9.111 12.596 2.367 1.00 42.11 C ATOM 1659 CE LYS B 71 -9.948 11.513 3.063 1.00 2.00 C ATOM 1660 NZ LYS B 71 -10.500 11.962 4.357 1.00 2.03 N ATOM 0 H LYS B 71 -9.172 10.410 -1.868 1.00 32.51 H new ATOM 0 HA LYS B 71 -9.989 10.041 0.794 1.00 2.50 H new ATOM 0 HB2 LYS B 71 -9.382 12.287 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS B 71 -10.556 12.689 0.200 1.00 0.00 H new ATOM 0 HG2 LYS B 71 -8.054 11.253 1.044 1.00 43.32 H new ATOM 0 HG3 LYS B 71 -7.921 12.942 0.596 1.00 43.32 H new ATOM 0 HD2 LYS B 71 -8.252 12.837 2.993 1.00 42.11 H new ATOM 0 HD3 LYS B 71 -9.707 13.504 2.280 1.00 42.11 H new ATOM 0 HE2 LYS B 71 -10.766 11.215 2.408 1.00 2.00 H new ATOM 0 HE3 LYS B 71 -9.330 10.629 3.223 1.00 2.00 H new ATOM 0 HZ1 LYS B 71 -9.986 11.499 5.133 1.00 2.03 H new ATOM 0 HZ2 LYS B 71 -10.396 12.993 4.440 1.00 2.03 H new ATOM 0 HZ3 LYS B 71 -11.508 11.711 4.411 1.00 2.03 H new ATOM 1670 N ASN B 72 -12.446 10.657 -1.325 1.00 4.44 N ATOM 1671 CA ASN B 72 -13.902 10.682 -1.434 1.00 45.21 C ATOM 1672 C ASN B 72 -14.491 9.415 -0.819 1.00 41.24 C ATOM 1673 O ASN B 72 -15.387 9.498 0.026 1.00 60.24 O ATOM 1674 CB ASN B 72 -14.383 10.789 -2.891 1.00 23.22 C ATOM 1675 CG ASN B 72 -14.169 12.138 -3.559 1.00 4.40 C ATOM 1676 OD1 ASN B 72 -13.695 13.104 -2.967 1.00 24.25 O ATOM 1677 ND2 ASN B 72 -14.507 12.211 -4.832 1.00 11.10 N ATOM 0 H ASN B 72 -11.958 10.700 -2.220 1.00 4.44 H new ATOM 0 HA ASN B 72 -14.242 11.568 -0.898 1.00 45.21 H new ATOM 0 HB2 ASN B 72 -13.872 10.028 -3.480 1.00 23.22 H new ATOM 0 HB3 ASN B 72 -15.447 10.554 -2.921 1.00 23.22 H new ATOM 0 HD21 ASN B 72 -14.376 13.083 -5.345 1.00 11.10 H new ATOM 0 HD22 ASN B 72 -14.899 11.396 -5.303 1.00 11.10 H new ATOM 1683 N ALA B 73 -14.014 8.249 -1.266 1.00 64.24 N ATOM 1684 CA ALA B 73 -14.485 6.961 -0.778 1.00 32.31 C ATOM 1685 C ALA B 73 -14.019 6.672 0.648 1.00 53.32 C ATOM 1686 O ALA B 73 -14.744 6.010 1.385 1.00 0.12 O ATOM 1687 CB ALA B 73 -13.987 5.856 -1.703 1.00 41.15 C ATOM 0 H ALA B 73 -13.288 8.178 -1.979 1.00 64.24 H new ATOM 0 HA ALA B 73 -15.574 6.994 -0.768 1.00 32.31 H new ATOM 0 HB1 ALA B 73 -14.339 4.891 -1.339 1.00 41.15 H new ATOM 0 HB2 ALA B 73 -14.368 6.025 -2.710 1.00 41.15 H new ATOM 0 HB3 ALA B 73 -12.897 5.861 -1.722 1.00 41.15 H new ATOM 1693 N CYS B 74 -12.857 7.195 1.055 1.00 61.52 N ATOM 1694 CA CYS B 74 -12.285 6.994 2.380 1.00 22.43 C ATOM 1695 C CYS B 74 -13.323 7.309 3.452 1.00 62.13 C ATOM 1696 O CYS B 74 -13.526 6.518 4.378 1.00 4.45 O ATOM 1697 CB CYS B 74 -11.040 7.875 2.536 1.00 5.40 C ATOM 1698 SG CYS B 74 -10.192 7.537 4.099 1.00 22.45 S ATOM 0 H CYS B 74 -12.279 7.783 0.454 1.00 61.52 H new ATOM 0 HA CYS B 74 -11.989 5.952 2.499 1.00 22.43 H new ATOM 0 HB2 CYS B 74 -10.359 7.698 1.704 1.00 5.40 H new ATOM 0 HB3 CYS B 74 -11.327 8.926 2.495 1.00 5.40 H new ATOM 0 HG CYS B 74 -8.906 7.548 3.906 1.00 22.45 H new ATOM 1703 N ASP B 75 -13.975 8.462 3.316 1.00 11.50 N ATOM 1704 CA ASP B 75 -14.996 8.922 4.240 1.00 21.52 C ATOM 1705 C ASP B 75 -16.201 7.993 4.165 1.00 61.32 C ATOM 1706 O ASP B 75 -16.520 7.351 5.161 1.00 62.33 O ATOM 1707 CB ASP B 75 -15.380 10.381 3.955 1.00 12.30 C ATOM 1708 CG ASP B 75 -14.330 11.364 4.469 1.00 44.22 C ATOM 1709 OD1 ASP B 75 -13.157 11.306 4.038 1.00 40.42 O ATOM 1710 OD2 ASP B 75 -14.657 12.234 5.309 1.00 15.30 O ATOM 0 H ASP B 75 -13.802 9.109 2.547 1.00 11.50 H new ATOM 0 HA ASP B 75 -14.602 8.894 5.256 1.00 21.52 H new ATOM 0 HB2 ASP B 75 -15.509 10.518 2.881 1.00 12.30 H new ATOM 0 HB3 ASP B 75 -16.340 10.600 4.422 1.00 12.30 H new ATOM 1714 N HIS B 76 -16.828 7.865 2.991 1.00 63.45 N ATOM 1715 CA HIS B 76 -18.016 7.032 2.776 1.00 53.14 C ATOM 1716 C HIS B 76 -17.862 5.543 3.116 1.00 12.40 C ATOM 1717 O HIS B 76 -18.879 4.856 3.231 1.00 72.33 O ATOM 1718 CB HIS B 76 -18.494 7.177 1.324 1.00 33.32 C ATOM 1719 CG HIS B 76 -19.105 8.514 0.986 1.00 32.42 C ATOM 1720 ND1 HIS B 76 -18.890 9.720 1.617 1.00 34.22 N ATOM 1721 CD2 HIS B 76 -19.998 8.734 -0.026 1.00 0.52 C ATOM 1722 CE1 HIS B 76 -19.610 10.648 0.974 1.00 11.20 C ATOM 1723 NE2 HIS B 76 -20.301 10.101 -0.043 1.00 53.01 N ATOM 0 H HIS B 76 -16.518 8.347 2.147 1.00 63.45 H new ATOM 0 HA HIS B 76 -18.752 7.410 3.486 1.00 53.14 H new ATOM 0 HB2 HIS B 76 -17.648 7.002 0.659 1.00 33.32 H new ATOM 0 HB3 HIS B 76 -19.227 6.397 1.119 1.00 33.32 H new ATOM 0 HD2 HIS B 76 -20.399 7.986 -0.694 1.00 0.52 H new ATOM 0 HE1 HIS B 76 -19.633 11.695 1.236 1.00 11.20 H new ATOM 0 HE2 HIS B 76 -20.920 10.584 -0.694 1.00 53.01 H new ATOM 1730 N LEU B 77 -16.646 5.017 3.275 1.00 34.23 N ATOM 1731 CA LEU B 77 -16.430 3.608 3.606 1.00 23.33 C ATOM 1732 C LEU B 77 -16.153 3.427 5.107 1.00 52.41 C ATOM 1733 O LEU B 77 -15.933 2.305 5.574 1.00 40.04 O ATOM 1734 CB LEU B 77 -15.326 3.034 2.704 1.00 43.24 C ATOM 1735 CG LEU B 77 -15.324 1.497 2.579 1.00 13.14 C ATOM 1736 CD1 LEU B 77 -16.601 0.899 1.981 1.00 14.24 C ATOM 1737 CD2 LEU B 77 -14.146 1.084 1.700 1.00 41.54 C ATOM 0 H LEU B 77 -15.785 5.555 3.178 1.00 34.23 H new ATOM 0 HA LEU B 77 -17.338 3.038 3.408 1.00 23.33 H new ATOM 0 HB2 LEU B 77 -15.430 3.465 1.708 1.00 43.24 H new ATOM 0 HB3 LEU B 77 -14.358 3.354 3.090 1.00 43.24 H new ATOM 0 HG LEU B 77 -15.251 1.111 3.596 1.00 13.14 H new ATOM 0 HD11 LEU B 77 -16.507 -0.186 1.933 1.00 14.24 H new ATOM 0 HD12 LEU B 77 -17.454 1.162 2.607 1.00 14.24 H new ATOM 0 HD13 LEU B 77 -16.753 1.295 0.977 1.00 14.24 H new ATOM 0 HD21 LEU B 77 -14.129 -0.001 1.601 1.00 41.54 H new ATOM 0 HD22 LEU B 77 -14.251 1.537 0.714 1.00 41.54 H new ATOM 0 HD23 LEU B 77 -13.215 1.421 2.157 1.00 41.54 H new ATOM 1748 N SER B 78 -16.103 4.516 5.881 1.00 24.54 N ATOM 1749 CA SER B 78 -15.873 4.458 7.309 1.00 40.02 C ATOM 1750 C SER B 78 -17.177 3.980 7.961 1.00 21.43 C ATOM 1751 O SER B 78 -18.265 4.457 7.620 1.00 21.23 O ATOM 1752 CB SER B 78 -15.374 5.821 7.800 1.00 71.33 C ATOM 1753 OG SER B 78 -16.329 6.861 7.709 1.00 13.14 O ATOM 0 H SER B 78 -16.223 5.463 5.522 1.00 24.54 H new ATOM 0 HA SER B 78 -15.091 3.751 7.585 1.00 40.02 H new ATOM 0 HB2 SER B 78 -15.057 5.725 8.838 1.00 71.33 H new ATOM 0 HB3 SER B 78 -14.493 6.101 7.222 1.00 71.33 H new ATOM 0 HG SER B 78 -16.297 7.257 6.813 1.00 13.14 H new ATOM 1758 N GLY B 79 -17.092 3.008 8.866 1.00 24.43 N ATOM 1759 CA GLY B 79 -18.244 2.440 9.557 1.00 40.01 C ATOM 1760 C GLY B 79 -19.084 1.514 8.667 1.00 21.13 C ATOM 1761 O GLY B 79 -20.185 1.127 9.074 1.00 63.12 O ATOM 0 H GLY B 79 -16.205 2.587 9.144 1.00 24.43 H new ATOM 0 HA2 GLY B 79 -17.899 1.882 10.428 1.00 40.01 H new ATOM 0 HA3 GLY B 79 -18.874 3.249 9.926 1.00 40.01 H new ATOM 1765 N PHE B 80 -18.602 1.151 7.472 1.00 61.14 N ATOM 1766 CA PHE B 80 -19.305 0.258 6.555 1.00 33.44 C ATOM 1767 C PHE B 80 -19.359 -1.123 7.216 1.00 61.33 C ATOM 1768 O PHE B 80 -18.347 -1.570 7.768 1.00 15.34 O ATOM 1769 CB PHE B 80 -18.564 0.219 5.208 1.00 13.45 C ATOM 1770 CG PHE B 80 -19.290 -0.481 4.070 1.00 13.05 C ATOM 1771 CD1 PHE B 80 -20.574 -0.054 3.674 1.00 4.54 C ATOM 1772 CD2 PHE B 80 -18.658 -1.519 3.356 1.00 25.14 C ATOM 1773 CE1 PHE B 80 -21.234 -0.691 2.608 1.00 1.44 C ATOM 1774 CE2 PHE B 80 -19.306 -2.135 2.269 1.00 44.41 C ATOM 1775 CZ PHE B 80 -20.607 -1.741 1.914 1.00 13.42 C ATOM 0 H PHE B 80 -17.703 1.475 7.115 1.00 61.14 H new ATOM 0 HA PHE B 80 -20.319 0.603 6.354 1.00 33.44 H new ATOM 0 HB2 PHE B 80 -18.352 1.244 4.902 1.00 13.45 H new ATOM 0 HB3 PHE B 80 -17.603 -0.274 5.358 1.00 13.45 H new ATOM 0 HD1 PHE B 80 -21.052 0.765 4.191 1.00 4.54 H new ATOM 0 HD2 PHE B 80 -17.669 -1.844 3.645 1.00 25.14 H new ATOM 0 HE1 PHE B 80 -22.225 -0.373 2.321 1.00 1.44 H new ATOM 0 HE2 PHE B 80 -18.804 -2.910 1.708 1.00 44.41 H new ATOM 0 HZ PHE B 80 -21.124 -2.243 1.110 1.00 13.42 H new ATOM 1784 N ASN B 81 -20.526 -1.772 7.202 1.00 24.43 N ATOM 1785 CA ASN B 81 -20.751 -3.090 7.793 1.00 3.03 C ATOM 1786 C ASN B 81 -20.942 -4.110 6.679 1.00 40.53 C ATOM 1787 O ASN B 81 -21.803 -3.915 5.823 1.00 11.55 O ATOM 1788 CB ASN B 81 -21.981 -3.045 8.715 1.00 4.55 C ATOM 1789 CG ASN B 81 -22.428 -4.414 9.229 1.00 40.11 C ATOM 1790 OD1 ASN B 81 -23.078 -5.208 8.393 1.00 33.14 O flip ATOM 1791 ND2 ASN B 81 -22.238 -4.750 10.397 1.00 64.33 N flip ATOM 0 H ASN B 81 -21.362 -1.383 6.767 1.00 24.43 H new ATOM 0 HA ASN B 81 -19.889 -3.382 8.393 1.00 3.03 H new ATOM 0 HB2 ASN B 81 -21.759 -2.404 9.568 1.00 4.55 H new ATOM 0 HB3 ASN B 81 -22.809 -2.583 8.176 1.00 4.55 H new ATOM 0 HD21 ASN B 81 -21.736 -4.129 11.031 1.00 64.33 H new ATOM 0 HD22 ASN B 81 -22.583 -5.650 10.731 1.00 64.33 H new ATOM 1797 N VAL B 82 -20.172 -5.193 6.703 1.00 72.44 N ATOM 1798 CA VAL B 82 -20.199 -6.289 5.740 1.00 23.30 C ATOM 1799 C VAL B 82 -20.111 -7.588 6.538 1.00 5.04 C ATOM 1800 O VAL B 82 -19.392 -7.635 7.537 1.00 74.13 O ATOM 1801 CB VAL B 82 -19.043 -6.139 4.730 1.00 23.23 C ATOM 1802 CG1 VAL B 82 -19.367 -5.023 3.733 1.00 40.14 C ATOM 1803 CG2 VAL B 82 -17.676 -5.829 5.367 1.00 60.51 C ATOM 0 H VAL B 82 -19.475 -5.338 7.434 1.00 72.44 H new ATOM 0 HA VAL B 82 -21.117 -6.286 5.153 1.00 23.30 H new ATOM 0 HB VAL B 82 -18.958 -7.110 4.243 1.00 23.23 H new ATOM 0 HG11 VAL B 82 -18.547 -4.921 3.022 1.00 40.14 H new ATOM 0 HG12 VAL B 82 -20.284 -5.269 3.197 1.00 40.14 H new ATOM 0 HG13 VAL B 82 -19.501 -4.084 4.269 1.00 40.14 H new ATOM 0 HG21 VAL B 82 -16.922 -5.740 4.585 1.00 60.51 H new ATOM 0 HG22 VAL B 82 -17.737 -4.892 5.921 1.00 60.51 H new ATOM 0 HG23 VAL B 82 -17.400 -6.635 6.047 1.00 60.51 H new ATOM 1813 N CYS B 83 -20.833 -8.640 6.136 1.00 22.20 N ATOM 1814 CA CYS B 83 -20.859 -9.938 6.823 1.00 42.21 C ATOM 1815 C CYS B 83 -21.107 -9.782 8.339 1.00 13.33 C ATOM 1816 O CYS B 83 -20.686 -10.618 9.146 1.00 60.14 O ATOM 1817 CB CYS B 83 -19.596 -10.745 6.483 1.00 1.44 C ATOM 1818 SG CYS B 83 -19.576 -11.153 4.709 1.00 44.23 S ATOM 0 H CYS B 83 -21.428 -8.613 5.308 1.00 22.20 H new ATOM 0 HA CYS B 83 -21.709 -10.513 6.456 1.00 42.21 H new ATOM 0 HB2 CYS B 83 -18.707 -10.171 6.742 1.00 1.44 H new ATOM 0 HB3 CYS B 83 -19.569 -11.660 7.075 1.00 1.44 H new ATOM 0 HG CYS B 83 -18.503 -11.833 4.432 1.00 44.23 H new ATOM 1823 N ASN B 84 -21.835 -8.723 8.723 1.00 63.11 N ATOM 1824 CA ASN B 84 -22.203 -8.349 10.088 1.00 51.31 C ATOM 1825 C ASN B 84 -21.016 -7.824 10.916 1.00 72.31 C ATOM 1826 O ASN B 84 -21.046 -7.893 12.149 1.00 43.03 O ATOM 1827 CB ASN B 84 -22.979 -9.465 10.809 1.00 1.11 C ATOM 1828 CG ASN B 84 -24.114 -10.082 10.008 1.00 45.31 C ATOM 1829 OD1 ASN B 84 -24.069 -11.263 9.686 1.00 34.23 O ATOM 1830 ND2 ASN B 84 -25.137 -9.321 9.666 1.00 71.25 N ATOM 0 H ASN B 84 -22.205 -8.064 8.038 1.00 63.11 H new ATOM 0 HA ASN B 84 -22.886 -7.505 9.992 1.00 51.31 H new ATOM 0 HB2 ASN B 84 -22.279 -10.254 11.084 1.00 1.11 H new ATOM 0 HB3 ASN B 84 -23.386 -9.062 11.736 1.00 1.11 H new ATOM 0 HD21 ASN B 84 -25.907 -9.714 9.125 1.00 71.25 H new ATOM 0 HD22 ASN B 84 -25.158 -8.340 9.943 1.00 71.25 H new ATOM 1836 N ARG B 85 -19.955 -7.313 10.282 1.00 31.11 N ATOM 1837 CA ARG B 85 -18.770 -6.757 10.934 1.00 32.34 C ATOM 1838 C ARG B 85 -18.447 -5.414 10.297 1.00 21.43 C ATOM 1839 O ARG B 85 -18.615 -5.232 9.095 1.00 54.04 O ATOM 1840 CB ARG B 85 -17.561 -7.701 10.802 1.00 63.24 C ATOM 1841 CG ARG B 85 -17.660 -8.978 11.651 1.00 1.14 C ATOM 1842 CD ARG B 85 -17.698 -8.630 13.146 1.00 22.10 C ATOM 1843 NE ARG B 85 -17.520 -9.808 14.006 1.00 13.22 N ATOM 1844 CZ ARG B 85 -17.488 -9.782 15.344 1.00 14.00 C ATOM 1845 NH1 ARG B 85 -17.863 -8.693 16.008 1.00 33.44 N ATOM 1846 NH2 ARG B 85 -17.063 -10.850 16.004 1.00 74.13 N ATOM 0 H ARG B 85 -19.898 -7.275 9.264 1.00 31.11 H new ATOM 0 HA ARG B 85 -18.979 -6.634 11.997 1.00 32.34 H new ATOM 0 HB2 ARG B 85 -17.447 -7.983 9.755 1.00 63.24 H new ATOM 0 HB3 ARG B 85 -16.659 -7.159 11.086 1.00 63.24 H new ATOM 0 HG2 ARG B 85 -18.557 -9.534 11.378 1.00 1.14 H new ATOM 0 HG3 ARG B 85 -16.808 -9.626 11.444 1.00 1.14 H new ATOM 0 HD2 ARG B 85 -16.916 -7.903 13.366 1.00 22.10 H new ATOM 0 HD3 ARG B 85 -18.650 -8.154 13.380 1.00 22.10 H new ATOM 0 HE ARG B 85 -17.413 -10.714 13.549 1.00 13.22 H new ATOM 0 HH11 ARG B 85 -18.178 -7.868 15.498 1.00 33.44 H new ATOM 0 HH12 ARG B 85 -17.835 -8.683 17.028 1.00 33.44 H new ATOM 0 HH21 ARG B 85 -16.765 -11.680 15.492 1.00 74.13 H new ATOM 0 HH22 ARG B 85 -17.034 -10.841 17.024 1.00 74.13 H new ATOM 1857 N TYR B 86 -18.019 -4.457 11.114 1.00 60.34 N ATOM 1858 CA TYR B 86 -17.650 -3.124 10.665 1.00 73.12 C ATOM 1859 C TYR B 86 -16.174 -3.116 10.280 1.00 22.34 C ATOM 1860 O TYR B 86 -15.375 -3.854 10.863 1.00 43.21 O ATOM 1861 CB TYR B 86 -17.892 -2.101 11.781 1.00 13.01 C ATOM 1862 CG TYR B 86 -17.079 -2.346 13.043 1.00 60.41 C ATOM 1863 CD1 TYR B 86 -17.461 -3.359 13.946 1.00 20.20 C ATOM 1864 CD2 TYR B 86 -15.921 -1.586 13.297 1.00 43.31 C ATOM 1865 CE1 TYR B 86 -16.662 -3.663 15.059 1.00 20.51 C ATOM 1866 CE2 TYR B 86 -15.132 -1.862 14.427 1.00 3.12 C ATOM 1867 CZ TYR B 86 -15.484 -2.923 15.293 1.00 42.14 C ATOM 1868 OH TYR B 86 -14.674 -3.234 16.337 1.00 22.32 O ATOM 0 H TYR B 86 -17.918 -4.590 12.120 1.00 60.34 H new ATOM 0 HA TYR B 86 -18.261 -2.856 9.803 1.00 73.12 H new ATOM 0 HB2 TYR B 86 -17.661 -1.106 11.402 1.00 13.01 H new ATOM 0 HB3 TYR B 86 -18.951 -2.106 12.039 1.00 13.01 H new ATOM 0 HD1 TYR B 86 -18.377 -3.906 13.780 1.00 20.20 H new ATOM 0 HD2 TYR B 86 -15.639 -0.791 12.623 1.00 43.31 H new ATOM 0 HE1 TYR B 86 -16.947 -4.458 15.732 1.00 20.51 H new ATOM 0 HE2 TYR B 86 -14.257 -1.264 14.634 1.00 3.12 H new ATOM 0 HH TYR B 86 -13.907 -2.624 16.349 1.00 22.32 H new ATOM 1877 N LEU B 87 -15.795 -2.252 9.343 1.00 73.43 N ATOM 1878 CA LEU B 87 -14.415 -2.114 8.882 1.00 5.53 C ATOM 1879 C LEU B 87 -13.834 -0.816 9.442 1.00 0.14 C ATOM 1880 O LEU B 87 -14.577 0.028 9.949 1.00 0.00 O ATOM 1881 CB LEU B 87 -14.372 -2.137 7.349 1.00 31.20 C ATOM 1882 CG LEU B 87 -14.908 -3.442 6.729 1.00 52.12 C ATOM 1883 CD1 LEU B 87 -14.840 -3.322 5.208 1.00 52.24 C ATOM 1884 CD2 LEU B 87 -14.108 -4.675 7.166 1.00 60.34 C ATOM 0 H LEU B 87 -16.445 -1.620 8.876 1.00 73.43 H new ATOM 0 HA LEU B 87 -13.811 -2.948 9.240 1.00 5.53 H new ATOM 0 HB2 LEU B 87 -14.954 -1.299 6.966 1.00 31.20 H new ATOM 0 HB3 LEU B 87 -13.343 -1.987 7.022 1.00 31.20 H new ATOM 0 HG LEU B 87 -15.933 -3.578 7.075 1.00 52.12 H new ATOM 0 HD11 LEU B 87 -15.216 -4.239 4.754 1.00 52.24 H new ATOM 0 HD12 LEU B 87 -15.449 -2.479 4.882 1.00 52.24 H new ATOM 0 HD13 LEU B 87 -13.806 -3.163 4.901 1.00 52.24 H new ATOM 0 HD21 LEU B 87 -14.529 -5.566 6.700 1.00 60.34 H new ATOM 0 HD22 LEU B 87 -13.068 -4.562 6.859 1.00 60.34 H new ATOM 0 HD23 LEU B 87 -14.157 -4.775 8.250 1.00 60.34 H new ATOM 1895 N VAL B 88 -12.516 -0.634 9.344 1.00 53.44 N ATOM 1896 CA VAL B 88 -11.798 0.547 9.833 1.00 54.54 C ATOM 1897 C VAL B 88 -10.857 1.006 8.722 1.00 3.40 C ATOM 1898 O VAL B 88 -10.206 0.159 8.105 1.00 3.02 O ATOM 1899 CB VAL B 88 -11.056 0.179 11.136 1.00 43.31 C ATOM 1900 CG1 VAL B 88 -10.156 1.304 11.672 1.00 64.53 C ATOM 1901 CG2 VAL B 88 -12.051 -0.245 12.227 1.00 2.35 C ATOM 0 H VAL B 88 -11.901 -1.322 8.911 1.00 53.44 H new ATOM 0 HA VAL B 88 -12.471 1.370 10.074 1.00 54.54 H new ATOM 0 HB VAL B 88 -10.404 -0.655 10.878 1.00 43.31 H new ATOM 0 HG11 VAL B 88 -9.667 0.974 12.589 1.00 64.53 H new ATOM 0 HG12 VAL B 88 -9.400 1.551 10.927 1.00 64.53 H new ATOM 0 HG13 VAL B 88 -10.762 2.186 11.881 1.00 64.53 H new ATOM 0 HG21 VAL B 88 -11.507 -0.500 13.136 1.00 2.35 H new ATOM 0 HG22 VAL B 88 -12.737 0.577 12.433 1.00 2.35 H new ATOM 0 HG23 VAL B 88 -12.616 -1.113 11.887 1.00 2.35 H new ATOM 1911 N VAL B 89 -10.763 2.318 8.481 1.00 61.12 N ATOM 1912 CA VAL B 89 -9.924 2.931 7.451 1.00 51.03 C ATOM 1913 C VAL B 89 -8.902 3.861 8.123 1.00 64.53 C ATOM 1914 O VAL B 89 -9.239 4.570 9.076 1.00 43.31 O ATOM 1915 CB VAL B 89 -10.816 3.691 6.438 1.00 51.44 C ATOM 1916 CG1 VAL B 89 -9.984 4.230 5.266 1.00 13.43 C ATOM 1917 CG2 VAL B 89 -11.939 2.813 5.850 1.00 53.31 C ATOM 0 H VAL B 89 -11.290 3.006 9.019 1.00 61.12 H new ATOM 0 HA VAL B 89 -9.377 2.166 6.900 1.00 51.03 H new ATOM 0 HB VAL B 89 -11.265 4.508 7.003 1.00 51.44 H new ATOM 0 HG11 VAL B 89 -10.635 4.759 4.570 1.00 13.43 H new ATOM 0 HG12 VAL B 89 -9.224 4.914 5.644 1.00 13.43 H new ATOM 0 HG13 VAL B 89 -9.501 3.400 4.751 1.00 13.43 H new ATOM 0 HG21 VAL B 89 -12.530 3.400 5.147 1.00 53.31 H new ATOM 0 HG22 VAL B 89 -11.500 1.961 5.331 1.00 53.31 H new ATOM 0 HG23 VAL B 89 -12.581 2.456 6.655 1.00 53.31 H new ATOM 1927 N LEU B 90 -7.659 3.861 7.631 1.00 5.11 N ATOM 1928 CA LEU B 90 -6.541 4.671 8.112 1.00 71.13 C ATOM 1929 C LEU B 90 -5.652 5.035 6.908 1.00 20.45 C ATOM 1930 O LEU B 90 -5.782 4.437 5.838 1.00 14.31 O ATOM 1931 CB LEU B 90 -5.805 3.883 9.215 1.00 3.33 C ATOM 1932 CG LEU B 90 -4.593 4.589 9.854 1.00 34.31 C ATOM 1933 CD1 LEU B 90 -4.949 5.946 10.475 1.00 64.13 C ATOM 1934 CD2 LEU B 90 -3.987 3.696 10.937 1.00 3.20 C ATOM 0 H LEU B 90 -7.395 3.265 6.847 1.00 5.11 H new ATOM 0 HA LEU B 90 -6.869 5.609 8.560 1.00 71.13 H new ATOM 0 HB2 LEU B 90 -6.520 3.646 10.003 1.00 3.33 H new ATOM 0 HB3 LEU B 90 -5.468 2.935 8.794 1.00 3.33 H new ATOM 0 HG LEU B 90 -3.878 4.770 9.051 1.00 34.31 H new ATOM 0 HD11 LEU B 90 -4.055 6.394 10.909 1.00 64.13 H new ATOM 0 HD12 LEU B 90 -5.348 6.606 9.704 1.00 64.13 H new ATOM 0 HD13 LEU B 90 -5.698 5.804 11.254 1.00 64.13 H new ATOM 0 HD21 LEU B 90 -3.131 4.199 11.386 1.00 3.20 H new ATOM 0 HD22 LEU B 90 -4.735 3.497 11.705 1.00 3.20 H new ATOM 0 HD23 LEU B 90 -3.663 2.755 10.493 1.00 3.20 H new ATOM 1945 N TYR B 91 -4.749 6.004 7.062 1.00 5.34 N ATOM 1946 CA TYR B 91 -3.842 6.487 6.020 1.00 35.54 C ATOM 1947 C TYR B 91 -2.409 5.961 6.198 1.00 23.32 C ATOM 1948 O TYR B 91 -2.062 5.389 7.236 1.00 0.13 O ATOM 1949 CB TYR B 91 -3.866 8.021 5.980 1.00 22.11 C ATOM 1950 CG TYR B 91 -5.184 8.687 6.328 1.00 43.33 C ATOM 1951 CD1 TYR B 91 -6.297 8.551 5.478 1.00 53.02 C ATOM 1952 CD2 TYR B 91 -5.279 9.486 7.483 1.00 74.44 C ATOM 1953 CE1 TYR B 91 -7.491 9.232 5.773 1.00 2.43 C ATOM 1954 CE2 TYR B 91 -6.472 10.161 7.786 1.00 61.32 C ATOM 1955 CZ TYR B 91 -7.588 10.032 6.931 1.00 12.23 C ATOM 1956 OH TYR B 91 -8.743 10.701 7.197 1.00 51.54 O ATOM 0 H TYR B 91 -4.625 6.492 7.949 1.00 5.34 H new ATOM 0 HA TYR B 91 -4.196 6.097 5.065 1.00 35.54 H new ATOM 0 HB2 TYR B 91 -3.105 8.392 6.666 1.00 22.11 H new ATOM 0 HB3 TYR B 91 -3.576 8.341 4.979 1.00 22.11 H new ATOM 0 HD1 TYR B 91 -6.234 7.925 4.600 1.00 53.02 H new ATOM 0 HD2 TYR B 91 -4.428 9.580 8.141 1.00 74.44 H new ATOM 0 HE1 TYR B 91 -8.339 9.142 5.110 1.00 2.43 H new ATOM 0 HE2 TYR B 91 -6.536 10.777 8.671 1.00 61.32 H new ATOM 0 HH TYR B 91 -8.645 11.204 8.032 1.00 51.54 H new ATOM 1965 N TYR B 92 -1.593 6.067 5.144 1.00 32.23 N ATOM 1966 CA TYR B 92 -0.196 5.635 5.124 1.00 60.42 C ATOM 1967 C TYR B 92 0.670 6.746 5.727 1.00 62.55 C ATOM 1968 O TYR B 92 0.734 7.851 5.183 1.00 71.33 O ATOM 1969 CB TYR B 92 0.209 5.322 3.682 1.00 64.43 C ATOM 1970 CG TYR B 92 1.625 4.812 3.534 1.00 42.22 C ATOM 1971 CD1 TYR B 92 1.948 3.485 3.875 1.00 40.43 C ATOM 1972 CD2 TYR B 92 2.623 5.668 3.041 1.00 13.02 C ATOM 1973 CE1 TYR B 92 3.261 3.012 3.703 1.00 51.22 C ATOM 1974 CE2 TYR B 92 3.932 5.202 2.860 1.00 32.32 C ATOM 1975 CZ TYR B 92 4.254 3.863 3.168 1.00 71.45 C ATOM 1976 OH TYR B 92 5.519 3.409 2.961 1.00 74.33 O ATOM 0 H TYR B 92 -1.897 6.468 4.257 1.00 32.23 H new ATOM 0 HA TYR B 92 -0.057 4.731 5.717 1.00 60.42 H new ATOM 0 HB2 TYR B 92 -0.477 4.579 3.277 1.00 64.43 H new ATOM 0 HB3 TYR B 92 0.094 6.224 3.080 1.00 64.43 H new ATOM 0 HD1 TYR B 92 1.186 2.829 4.269 1.00 40.43 H new ATOM 0 HD2 TYR B 92 2.380 6.692 2.800 1.00 13.02 H new ATOM 0 HE1 TYR B 92 3.510 1.998 3.980 1.00 51.22 H new ATOM 0 HE2 TYR B 92 4.695 5.868 2.485 1.00 32.32 H new ATOM 0 HH TYR B 92 5.485 2.496 2.606 1.00 74.33 H new ATOM 1985 N ASN B 93 1.307 6.478 6.865 1.00 32.10 N ATOM 1986 CA ASN B 93 2.146 7.442 7.566 1.00 54.42 C ATOM 1987 C ASN B 93 3.601 7.275 7.176 1.00 33.13 C ATOM 1988 O ASN B 93 4.235 6.320 7.663 1.00 12.05 O ATOM 1989 CB ASN B 93 1.938 7.264 9.075 1.00 42.51 C ATOM 1990 CG ASN B 93 2.629 8.355 9.875 1.00 75.53 C ATOM 1991 OD1 ASN B 93 2.658 9.518 9.470 1.00 51.25 O ATOM 1992 ND2 ASN B 93 3.141 8.024 11.042 1.00 20.23 N ATOM 0 H ASN B 93 1.253 5.572 7.331 1.00 32.10 H new ATOM 0 HA ASN B 93 1.862 8.456 7.285 1.00 54.42 H new ATOM 0 HB2 ASN B 93 0.871 7.271 9.298 1.00 42.51 H new ATOM 0 HB3 ASN B 93 2.321 6.291 9.382 1.00 42.51 H new ATOM 0 HD21 ASN B 93 3.573 8.737 11.630 1.00 20.23 H new ATOM 0 HD22 ASN B 93 3.106 7.055 11.358 1.00 20.23 H new