USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=19 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 72 ASN : amide:sc= 0 X(o=-0.051,f=-0.22) USER MOD Set 1.2: B 76 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=0) USER MOD Set 2.1: B 53 THR OG1 : rot -48:sc= 1.04 USER MOD Set 2.2: B 56 THR OG1 : rot 178:sc= 1.63 USER MOD Set 3.1: A 412 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 59 THR OG1 : rot -51:sc= 1.2 USER MOD Single : A 407 MET CE :methyl 165:sc=-0.00267 (180deg=-0.212) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 ASN : amide:sc= -0.282 K(o=-0.28,f=-2!) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= 0.636 K(o=0.64,f=-1) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 180:sc= 0.0473 USER MOD Single : B 35 MET CE :methyl -173:sc= 0 (180deg=-0.0424) USER MOD Single : B 36 TYR OH : rot 178:sc= 1.24 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 TYR OH : rot 155:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.7) USER MOD Single : B 52 ASN : amide:sc= -0.405 K(o=-0.41,f=-1.8) USER MOD Single : B 61 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 CYS SG : rot -27:sc= -0.0466 USER MOD Single : B 78 SER OG : rot -49:sc= 0.809 USER MOD Single : B 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 83 CYS SG : rot -160:sc= 0 USER MOD Single : B 84 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.4!) USER MOD Single : B 86 TYR OH : rot 180:sc= 0 USER MOD Single : B 91 TYR OH : rot 180:sc= -0.0206 USER MOD Single : B 92 TYR OH : rot 115:sc= 0.604 USER MOD Single : B 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 391 N LEU A 404 7.496 1.469 -4.870 1.00 13.52 N ATOM 392 CA LEU A 404 6.189 1.378 -4.239 1.00 44.10 C ATOM 393 C LEU A 404 6.131 0.138 -3.352 1.00 22.31 C ATOM 394 O LEU A 404 5.556 0.211 -2.274 1.00 30.14 O ATOM 395 CB LEU A 404 5.097 1.357 -5.315 1.00 50.41 C ATOM 396 CG LEU A 404 3.681 1.249 -4.735 1.00 63.34 C ATOM 397 CD1 LEU A 404 3.206 2.543 -4.064 1.00 42.33 C ATOM 398 CD2 LEU A 404 2.713 0.861 -5.853 1.00 62.43 C ATOM 0 HA LEU A 404 6.020 2.249 -3.607 1.00 44.10 H new ATOM 0 HB2 LEU A 404 5.169 2.264 -5.915 1.00 50.41 H new ATOM 0 HB3 LEU A 404 5.273 0.516 -5.986 1.00 50.41 H new ATOM 0 HG LEU A 404 3.704 0.485 -3.958 1.00 63.34 H new ATOM 0 HD11 LEU A 404 2.198 2.402 -3.674 1.00 42.33 H new ATOM 0 HD12 LEU A 404 3.879 2.797 -3.245 1.00 42.33 H new ATOM 0 HD13 LEU A 404 3.202 3.352 -4.795 1.00 42.33 H new ATOM 0 HD21 LEU A 404 1.704 0.782 -5.449 1.00 62.43 H new ATOM 0 HD22 LEU A 404 2.733 1.623 -6.633 1.00 62.43 H new ATOM 0 HD23 LEU A 404 3.011 -0.099 -6.275 1.00 62.43 H new ATOM 409 N ASP A 405 6.707 -0.986 -3.791 1.00 52.14 N ATOM 410 CA ASP A 405 6.731 -2.232 -3.019 1.00 63.12 C ATOM 411 C ASP A 405 7.412 -2.005 -1.664 1.00 52.42 C ATOM 412 O ASP A 405 6.941 -2.498 -0.639 1.00 23.21 O ATOM 413 CB ASP A 405 7.471 -3.318 -3.812 1.00 64.22 C ATOM 414 CG ASP A 405 7.634 -4.610 -3.002 1.00 21.23 C ATOM 415 OD1 ASP A 405 6.747 -5.491 -3.055 1.00 72.35 O ATOM 416 OD2 ASP A 405 8.667 -4.761 -2.309 1.00 41.32 O ATOM 0 H ASP A 405 7.172 -1.057 -4.696 1.00 52.14 H new ATOM 0 HA ASP A 405 5.707 -2.559 -2.839 1.00 63.12 H new ATOM 0 HB2 ASP A 405 6.924 -3.532 -4.730 1.00 64.22 H new ATOM 0 HB3 ASP A 405 8.453 -2.947 -4.105 1.00 64.22 H new ATOM 420 N ALA A 406 8.503 -1.235 -1.657 1.00 64.24 N ATOM 421 CA ALA A 406 9.278 -0.904 -0.471 1.00 24.33 C ATOM 422 C ALA A 406 8.598 0.150 0.410 1.00 52.31 C ATOM 423 O ALA A 406 9.086 0.429 1.510 1.00 54.13 O ATOM 424 CB ALA A 406 10.657 -0.415 -0.907 1.00 34.11 C ATOM 0 H ALA A 406 8.879 -0.814 -2.507 1.00 64.24 H new ATOM 0 HA ALA A 406 9.362 -1.805 0.136 1.00 24.33 H new ATOM 0 HB1 ALA A 406 11.249 -0.163 -0.027 1.00 34.11 H new ATOM 0 HB2 ALA A 406 11.160 -1.201 -1.470 1.00 34.11 H new ATOM 0 HB3 ALA A 406 10.548 0.469 -1.536 1.00 34.11 H new ATOM 430 N MET A 407 7.516 0.789 -0.044 1.00 54.01 N ATOM 431 CA MET A 407 6.820 1.778 0.774 1.00 0.02 C ATOM 432 C MET A 407 5.979 1.075 1.848 1.00 64.24 C ATOM 433 O MET A 407 5.447 1.750 2.733 1.00 60.13 O ATOM 434 CB MET A 407 5.937 2.707 -0.074 1.00 64.44 C ATOM 435 CG MET A 407 6.759 3.592 -1.018 1.00 44.21 C ATOM 436 SD MET A 407 5.843 4.937 -1.831 1.00 55.33 S ATOM 437 CE MET A 407 5.532 6.013 -0.404 1.00 62.22 C ATOM 0 H MET A 407 7.108 0.639 -0.967 1.00 54.01 H new ATOM 0 HA MET A 407 7.575 2.399 1.256 1.00 0.02 H new ATOM 0 HB2 MET A 407 5.239 2.107 -0.658 1.00 64.44 H new ATOM 0 HB3 MET A 407 5.341 3.338 0.585 1.00 64.44 H new ATOM 0 HG2 MET A 407 7.583 4.028 -0.453 1.00 44.21 H new ATOM 0 HG3 MET A 407 7.200 2.959 -1.788 1.00 44.21 H new ATOM 0 HE1 MET A 407 5.221 6.998 -0.752 1.00 62.22 H new ATOM 0 HE2 MET A 407 4.744 5.581 0.213 1.00 62.22 H new ATOM 0 HE3 MET A 407 6.444 6.108 0.186 1.00 62.22 H new ATOM 445 N PHE A 408 5.792 -0.243 1.743 1.00 24.01 N ATOM 446 CA PHE A 408 5.022 -1.066 2.657 1.00 33.45 C ATOM 447 C PHE A 408 5.886 -2.078 3.405 1.00 51.43 C ATOM 448 O PHE A 408 6.945 -2.457 2.899 1.00 75.41 O ATOM 449 CB PHE A 408 4.001 -1.844 1.831 1.00 11.43 C ATOM 450 CG PHE A 408 3.049 -0.956 1.077 1.00 42.32 C ATOM 451 CD1 PHE A 408 1.917 -0.438 1.724 1.00 24.12 C ATOM 452 CD2 PHE A 408 3.311 -0.625 -0.263 1.00 44.22 C ATOM 453 CE1 PHE A 408 1.059 0.422 1.029 1.00 11.12 C ATOM 454 CE2 PHE A 408 2.468 0.267 -0.945 1.00 2.25 C ATOM 455 CZ PHE A 408 1.336 0.792 -0.300 1.00 4.14 C ATOM 0 H PHE A 408 6.196 -0.784 0.979 1.00 24.01 H new ATOM 0 HA PHE A 408 4.559 -0.410 3.394 1.00 33.45 H new ATOM 0 HB2 PHE A 408 4.528 -2.485 1.124 1.00 11.43 H new ATOM 0 HB3 PHE A 408 3.432 -2.498 2.491 1.00 11.43 H new ATOM 0 HD1 PHE A 408 1.709 -0.701 2.751 1.00 24.12 H new ATOM 0 HD2 PHE A 408 4.162 -1.057 -0.769 1.00 44.22 H new ATOM 0 HE1 PHE A 408 0.175 0.805 1.518 1.00 11.12 H new ATOM 0 HE2 PHE A 408 2.690 0.549 -1.964 1.00 2.25 H new ATOM 0 HZ PHE A 408 0.682 1.476 -0.821 1.00 4.14 H new ATOM 464 N PRO A 409 5.404 -2.581 4.556 1.00 13.32 N ATOM 465 CA PRO A 409 6.123 -3.581 5.316 1.00 33.43 C ATOM 466 C PRO A 409 6.081 -4.927 4.573 1.00 42.31 C ATOM 467 O PRO A 409 5.385 -5.124 3.563 1.00 0.20 O ATOM 468 CB PRO A 409 5.436 -3.650 6.684 1.00 14.24 C ATOM 469 CG PRO A 409 4.018 -3.158 6.406 1.00 22.10 C ATOM 470 CD PRO A 409 4.178 -2.193 5.242 1.00 32.42 C ATOM 0 HA PRO A 409 7.177 -3.333 5.441 1.00 33.43 H new ATOM 0 HB2 PRO A 409 5.436 -4.665 7.081 1.00 14.24 H new ATOM 0 HB3 PRO A 409 5.941 -3.021 7.417 1.00 14.24 H new ATOM 0 HG2 PRO A 409 3.353 -3.983 6.150 1.00 22.10 H new ATOM 0 HG3 PRO A 409 3.590 -2.663 7.278 1.00 22.10 H new ATOM 0 HD2 PRO A 409 3.322 -2.249 4.570 1.00 32.42 H new ATOM 0 HD3 PRO A 409 4.239 -1.164 5.596 1.00 32.42 H new ATOM 475 N GLU A 410 6.863 -5.869 5.079 1.00 31.42 N ATOM 476 CA GLU A 410 6.962 -7.205 4.517 1.00 33.04 C ATOM 477 C GLU A 410 5.890 -8.128 5.102 1.00 63.32 C ATOM 478 O GLU A 410 5.362 -7.856 6.185 1.00 44.35 O ATOM 479 CB GLU A 410 8.336 -7.775 4.845 1.00 22.24 C ATOM 480 CG GLU A 410 9.503 -6.929 4.330 1.00 5.50 C ATOM 481 CD GLU A 410 10.783 -7.694 4.614 1.00 20.15 C ATOM 482 OE1 GLU A 410 11.034 -8.706 3.927 1.00 34.23 O ATOM 483 OE2 GLU A 410 11.456 -7.392 5.630 1.00 53.41 O ATOM 0 H GLU A 410 7.452 -5.725 5.899 1.00 31.42 H new ATOM 0 HA GLU A 410 6.816 -7.142 3.439 1.00 33.04 H new ATOM 0 HB2 GLU A 410 8.426 -7.879 5.926 1.00 22.24 H new ATOM 0 HB3 GLU A 410 8.413 -8.776 4.421 1.00 22.24 H new ATOM 0 HG2 GLU A 410 9.398 -6.741 3.261 1.00 5.50 H new ATOM 0 HG3 GLU A 410 9.519 -5.958 4.824 1.00 5.50 H new ATOM 488 N GLY A 411 5.653 -9.261 4.432 1.00 44.25 N ATOM 489 CA GLY A 411 4.676 -10.272 4.813 1.00 2.24 C ATOM 490 C GLY A 411 3.333 -10.081 4.106 1.00 51.10 C ATOM 491 O GLY A 411 2.325 -10.609 4.567 1.00 65.03 O ATOM 0 H GLY A 411 6.158 -9.502 3.579 1.00 44.25 H new ATOM 0 HA2 GLY A 411 5.070 -11.261 4.578 1.00 2.24 H new ATOM 0 HA3 GLY A 411 4.524 -10.238 5.892 1.00 2.24 H new ATOM 495 N TYR A 412 3.303 -9.319 3.007 1.00 33.40 N ATOM 496 CA TYR A 412 2.115 -9.046 2.207 1.00 22.44 C ATOM 497 C TYR A 412 2.439 -9.418 0.756 1.00 43.22 C ATOM 498 O TYR A 412 3.610 -9.409 0.367 1.00 3.22 O ATOM 499 CB TYR A 412 1.714 -7.565 2.323 1.00 61.12 C ATOM 500 CG TYR A 412 1.401 -7.031 3.719 1.00 63.04 C ATOM 501 CD1 TYR A 412 2.444 -6.771 4.629 1.00 33.20 C ATOM 502 CD2 TYR A 412 0.077 -6.712 4.086 1.00 53.24 C ATOM 503 CE1 TYR A 412 2.171 -6.220 5.890 1.00 3.55 C ATOM 504 CE2 TYR A 412 -0.202 -6.123 5.333 1.00 63.23 C ATOM 505 CZ TYR A 412 0.851 -5.858 6.237 1.00 23.41 C ATOM 506 OH TYR A 412 0.577 -5.240 7.418 1.00 70.30 O ATOM 0 H TYR A 412 4.138 -8.861 2.641 1.00 33.40 H new ATOM 0 HA TYR A 412 1.269 -9.634 2.563 1.00 22.44 H new ATOM 0 HB2 TYR A 412 2.521 -6.963 1.905 1.00 61.12 H new ATOM 0 HB3 TYR A 412 0.838 -7.403 1.696 1.00 61.12 H new ATOM 0 HD1 TYR A 412 3.463 -6.998 4.354 1.00 33.20 H new ATOM 0 HD2 TYR A 412 -0.732 -6.922 3.402 1.00 53.24 H new ATOM 0 HE1 TYR A 412 2.973 -6.072 6.598 1.00 3.55 H new ATOM 0 HE2 TYR A 412 -1.219 -5.874 5.599 1.00 63.23 H new ATOM 0 HH TYR A 412 -0.386 -5.068 7.481 1.00 70.30 H new ATOM 515 N LYS A 413 1.418 -9.702 -0.062 1.00 61.54 N ATOM 516 CA LYS A 413 1.612 -10.076 -1.464 1.00 1.11 C ATOM 517 C LYS A 413 0.571 -9.375 -2.329 1.00 13.54 C ATOM 518 O LYS A 413 -0.548 -9.158 -1.860 1.00 42.04 O ATOM 519 CB LYS A 413 1.540 -11.610 -1.572 1.00 42.43 C ATOM 520 CG LYS A 413 2.144 -12.158 -2.871 1.00 51.33 C ATOM 521 CD LYS A 413 3.678 -12.118 -2.878 1.00 0.03 C ATOM 522 CE LYS A 413 4.161 -12.471 -4.284 1.00 52.02 C ATOM 523 NZ LYS A 413 5.608 -12.263 -4.477 1.00 14.44 N ATOM 0 H LYS A 413 0.441 -9.679 0.229 1.00 61.54 H new ATOM 0 HA LYS A 413 2.589 -9.757 -1.827 1.00 1.11 H new ATOM 0 HB2 LYS A 413 2.062 -12.052 -0.723 1.00 42.43 H new ATOM 0 HB3 LYS A 413 0.498 -11.923 -1.504 1.00 42.43 H new ATOM 0 HG2 LYS A 413 1.811 -13.186 -3.015 1.00 51.33 H new ATOM 0 HG3 LYS A 413 1.766 -11.579 -3.714 1.00 51.33 H new ATOM 0 HD2 LYS A 413 4.033 -11.128 -2.592 1.00 0.03 H new ATOM 0 HD3 LYS A 413 4.080 -12.823 -2.150 1.00 0.03 H new ATOM 0 HE2 LYS A 413 3.921 -13.514 -4.491 1.00 52.02 H new ATOM 0 HE3 LYS A 413 3.615 -11.868 -5.010 1.00 52.02 H new ATOM 0 HZ1 LYS A 413 5.869 -12.521 -5.450 1.00 14.44 H new ATOM 0 HZ2 LYS A 413 5.840 -11.263 -4.310 1.00 14.44 H new ATOM 0 HZ3 LYS A 413 6.137 -12.858 -3.808 1.00 14.44 H new ATOM 533 N VAL A 414 0.910 -9.019 -3.570 1.00 21.55 N ATOM 534 CA VAL A 414 -0.005 -8.330 -4.483 1.00 35.42 C ATOM 535 C VAL A 414 -1.114 -9.291 -4.924 1.00 40.54 C ATOM 536 O VAL A 414 -0.885 -10.499 -5.016 1.00 21.42 O ATOM 537 CB VAL A 414 0.750 -7.768 -5.722 1.00 1.05 C ATOM 538 CG1 VAL A 414 -0.161 -7.040 -6.722 1.00 30.35 C ATOM 539 CG2 VAL A 414 1.864 -6.765 -5.390 1.00 54.22 C ATOM 0 H VAL A 414 1.830 -9.201 -3.971 1.00 21.55 H new ATOM 0 HA VAL A 414 -0.448 -7.486 -3.955 1.00 35.42 H new ATOM 0 HB VAL A 414 1.169 -8.678 -6.152 1.00 1.05 H new ATOM 0 HG11 VAL A 414 0.435 -6.676 -7.559 1.00 30.35 H new ATOM 0 HG12 VAL A 414 -0.921 -7.729 -7.090 1.00 30.35 H new ATOM 0 HG13 VAL A 414 -0.644 -6.198 -6.227 1.00 30.35 H new ATOM 0 HG21 VAL A 414 2.335 -6.426 -6.313 1.00 54.22 H new ATOM 0 HG22 VAL A 414 1.439 -5.910 -4.864 1.00 54.22 H new ATOM 0 HG23 VAL A 414 2.610 -7.246 -4.757 1.00 54.22 H new ATOM 549 N LEU A 415 -2.305 -8.756 -5.222 1.00 31.23 N ATOM 550 CA LEU A 415 -3.470 -9.503 -5.694 1.00 15.40 C ATOM 551 C LEU A 415 -3.920 -8.858 -7.014 1.00 63.03 C ATOM 552 O LEU A 415 -4.752 -7.948 -6.984 1.00 64.01 O ATOM 553 CB LEU A 415 -4.588 -9.525 -4.639 1.00 4.53 C ATOM 554 CG LEU A 415 -5.782 -10.394 -5.088 1.00 53.21 C ATOM 555 CD1 LEU A 415 -5.451 -11.886 -5.060 1.00 22.12 C ATOM 556 CD2 LEU A 415 -6.966 -10.149 -4.158 1.00 70.32 C ATOM 0 H LEU A 415 -2.487 -7.756 -5.137 1.00 31.23 H new ATOM 0 HA LEU A 415 -3.215 -10.549 -5.865 1.00 15.40 H new ATOM 0 HB2 LEU A 415 -4.193 -9.908 -3.698 1.00 4.53 H new ATOM 0 HB3 LEU A 415 -4.930 -8.507 -4.450 1.00 4.53 H new ATOM 0 HG LEU A 415 -6.021 -10.112 -6.114 1.00 53.21 H new ATOM 0 HD11 LEU A 415 -6.321 -12.458 -5.384 1.00 22.12 H new ATOM 0 HD12 LEU A 415 -4.615 -12.086 -5.731 1.00 22.12 H new ATOM 0 HD13 LEU A 415 -5.181 -12.180 -4.046 1.00 22.12 H new ATOM 0 HD21 LEU A 415 -7.810 -10.762 -4.474 1.00 70.32 H new ATOM 0 HD22 LEU A 415 -6.688 -10.413 -3.138 1.00 70.32 H new ATOM 0 HD23 LEU A 415 -7.247 -9.097 -4.197 1.00 70.32 H new ATOM 567 N PRO A 416 -3.347 -9.258 -8.163 1.00 63.51 N ATOM 568 CA PRO A 416 -3.704 -8.699 -9.467 1.00 51.42 C ATOM 569 C PRO A 416 -5.185 -8.913 -9.829 1.00 44.21 C ATOM 570 O PRO A 416 -5.805 -9.848 -9.304 1.00 64.22 O ATOM 571 CB PRO A 416 -2.815 -9.429 -10.483 1.00 54.41 C ATOM 572 CG PRO A 416 -1.682 -10.022 -9.653 1.00 74.00 C ATOM 573 CD PRO A 416 -2.351 -10.307 -8.316 1.00 5.24 C ATOM 0 HA PRO A 416 -3.554 -7.619 -9.461 1.00 51.42 H new ATOM 0 HB2 PRO A 416 -3.370 -10.207 -11.008 1.00 54.41 H new ATOM 0 HB3 PRO A 416 -2.434 -8.743 -11.240 1.00 54.41 H new ATOM 0 HG2 PRO A 416 -1.282 -10.929 -10.106 1.00 74.00 H new ATOM 0 HG3 PRO A 416 -0.851 -9.325 -9.548 1.00 74.00 H new ATOM 0 HD2 PRO A 416 -2.813 -11.294 -8.308 1.00 5.24 H new ATOM 0 HD3 PRO A 416 -1.628 -10.287 -7.501 1.00 5.24 H new ATOM 578 N PRO A 417 -5.738 -8.116 -10.763 1.00 21.11 N ATOM 579 CA PRO A 417 -7.125 -8.249 -11.196 1.00 13.30 C ATOM 580 C PRO A 417 -7.319 -9.536 -12.028 1.00 62.40 C ATOM 581 O PRO A 417 -6.321 -10.144 -12.441 1.00 44.35 O ATOM 582 CB PRO A 417 -7.424 -6.974 -11.996 1.00 65.14 C ATOM 583 CG PRO A 417 -6.061 -6.533 -12.518 1.00 51.41 C ATOM 584 CD PRO A 417 -5.094 -6.991 -11.430 1.00 52.11 C ATOM 0 HA PRO A 417 -7.816 -8.346 -10.359 1.00 13.30 H new ATOM 0 HB2 PRO A 417 -8.119 -7.170 -12.812 1.00 65.14 H new ATOM 0 HB3 PRO A 417 -7.878 -6.207 -11.368 1.00 65.14 H new ATOM 0 HG2 PRO A 417 -5.831 -6.994 -13.479 1.00 51.41 H new ATOM 0 HG3 PRO A 417 -6.018 -5.454 -12.664 1.00 51.41 H new ATOM 0 HD2 PRO A 417 -4.137 -7.288 -11.859 1.00 52.11 H new ATOM 0 HD3 PRO A 417 -4.890 -6.185 -10.725 1.00 52.11 H new ATOM 589 N PRO A 418 -8.573 -9.936 -12.318 1.00 30.51 N ATOM 590 CA PRO A 418 -8.903 -11.137 -13.085 1.00 33.40 C ATOM 591 C PRO A 418 -8.187 -11.272 -14.432 1.00 42.23 C ATOM 592 O PRO A 418 -7.702 -10.291 -15.008 1.00 22.20 O ATOM 593 CB PRO A 418 -10.419 -11.087 -13.291 1.00 74.41 C ATOM 594 CG PRO A 418 -10.923 -10.278 -12.108 1.00 45.10 C ATOM 595 CD PRO A 418 -9.789 -9.284 -11.851 1.00 30.20 C ATOM 0 HA PRO A 418 -8.564 -12.010 -12.527 1.00 33.40 H new ATOM 0 HB2 PRO A 418 -10.678 -10.613 -14.238 1.00 74.41 H new ATOM 0 HB3 PRO A 418 -10.853 -12.087 -13.305 1.00 74.41 H new ATOM 0 HG2 PRO A 418 -11.859 -9.769 -12.338 1.00 45.10 H new ATOM 0 HG3 PRO A 418 -11.109 -10.909 -11.239 1.00 45.10 H new ATOM 0 HD2 PRO A 418 -9.961 -8.349 -12.385 1.00 30.20 H new ATOM 0 HD3 PRO A 418 -9.718 -9.038 -10.792 1.00 30.20 H new ATOM 826 N VAL B 17 -4.762 14.095 3.630 1.00 23.41 N ATOM 827 CA VAL B 17 -5.203 12.830 3.051 1.00 15.15 C ATOM 828 C VAL B 17 -4.134 12.418 2.028 1.00 10.11 C ATOM 829 O VAL B 17 -3.546 13.288 1.374 1.00 52.01 O ATOM 830 CB VAL B 17 -6.583 12.989 2.366 1.00 50.42 C ATOM 831 CG1 VAL B 17 -7.156 11.624 1.974 1.00 14.30 C ATOM 832 CG2 VAL B 17 -7.620 13.698 3.248 1.00 75.13 C ATOM 0 HA VAL B 17 -5.319 12.069 3.823 1.00 15.15 H new ATOM 0 HB VAL B 17 -6.399 13.605 1.486 1.00 50.42 H new ATOM 0 HG11 VAL B 17 -8.125 11.760 1.495 1.00 14.30 H new ATOM 0 HG12 VAL B 17 -6.475 11.129 1.282 1.00 14.30 H new ATOM 0 HG13 VAL B 17 -7.276 11.010 2.866 1.00 14.30 H new ATOM 0 HG21 VAL B 17 -8.564 13.777 2.708 1.00 75.13 H new ATOM 0 HG22 VAL B 17 -7.772 13.125 4.163 1.00 75.13 H new ATOM 0 HG23 VAL B 17 -7.262 14.696 3.500 1.00 75.13 H new ATOM 842 N ASN B 18 -3.896 11.117 1.871 1.00 34.34 N ATOM 843 CA ASN B 18 -2.922 10.533 0.948 1.00 21.11 C ATOM 844 C ASN B 18 -3.642 9.572 -0.017 1.00 25.02 C ATOM 845 O ASN B 18 -4.873 9.543 -0.045 1.00 11.41 O ATOM 846 CB ASN B 18 -1.793 9.866 1.754 1.00 52.11 C ATOM 847 CG ASN B 18 -2.183 8.490 2.273 1.00 21.22 C ATOM 848 OD1 ASN B 18 -3.323 8.242 2.642 1.00 42.51 O ATOM 849 ND2 ASN B 18 -1.266 7.545 2.271 1.00 45.21 N ATOM 0 H ASN B 18 -4.398 10.409 2.407 1.00 34.34 H new ATOM 0 HA ASN B 18 -2.456 11.301 0.332 1.00 21.11 H new ATOM 0 HB2 ASN B 18 -0.907 9.776 1.126 1.00 52.11 H new ATOM 0 HB3 ASN B 18 -1.524 10.505 2.595 1.00 52.11 H new ATOM 0 HD21 ASN B 18 -1.505 6.602 2.578 1.00 45.21 H new ATOM 0 HD22 ASN B 18 -0.317 7.756 1.963 1.00 45.21 H new ATOM 855 N ARG B 19 -2.912 8.819 -0.854 1.00 44.02 N ATOM 856 CA ARG B 19 -3.510 7.878 -1.820 1.00 13.45 C ATOM 857 C ARG B 19 -3.378 6.424 -1.378 1.00 1.12 C ATOM 858 O ARG B 19 -4.061 5.563 -1.935 1.00 34.32 O ATOM 859 CB ARG B 19 -2.890 8.014 -3.226 1.00 13.35 C ATOM 860 CG ARG B 19 -2.712 9.449 -3.745 1.00 50.51 C ATOM 861 CD ARG B 19 -1.293 9.959 -3.473 1.00 2.14 C ATOM 862 NE ARG B 19 -1.064 11.307 -4.013 1.00 55.21 N ATOM 863 CZ ARG B 19 -0.173 12.194 -3.558 1.00 35.14 C ATOM 864 NH1 ARG B 19 0.574 11.944 -2.490 1.00 44.31 N ATOM 865 NH2 ARG B 19 -0.019 13.350 -4.185 1.00 61.01 N ATOM 0 H ARG B 19 -1.893 8.843 -0.882 1.00 44.02 H new ATOM 0 HA ARG B 19 -4.566 8.146 -1.859 1.00 13.45 H new ATOM 0 HB2 ARG B 19 -1.915 7.527 -3.221 1.00 13.35 H new ATOM 0 HB3 ARG B 19 -3.515 7.468 -3.932 1.00 13.35 H new ATOM 0 HG2 ARG B 19 -2.914 9.480 -4.816 1.00 50.51 H new ATOM 0 HG3 ARG B 19 -3.437 10.106 -3.264 1.00 50.51 H new ATOM 0 HD2 ARG B 19 -1.114 9.967 -2.398 1.00 2.14 H new ATOM 0 HD3 ARG B 19 -0.572 9.269 -3.911 1.00 2.14 H new ATOM 0 HE ARG B 19 -1.637 11.592 -4.807 1.00 55.21 H new ATOM 0 HH11 ARG B 19 0.476 11.057 -1.995 1.00 44.31 H new ATOM 0 HH12 ARG B 19 1.246 12.638 -2.164 1.00 44.31 H new ATOM 0 HH21 ARG B 19 -0.579 13.561 -5.011 1.00 61.01 H new ATOM 0 HH22 ARG B 19 0.659 14.030 -3.842 1.00 61.01 H new ATOM 876 N ILE B 20 -2.486 6.128 -0.431 1.00 24.11 N ATOM 877 CA ILE B 20 -2.262 4.782 0.069 1.00 64.35 C ATOM 878 C ILE B 20 -3.135 4.619 1.315 1.00 1.24 C ATOM 879 O ILE B 20 -2.877 5.245 2.346 1.00 0.42 O ATOM 880 CB ILE B 20 -0.749 4.602 0.357 1.00 3.34 C ATOM 881 CG1 ILE B 20 0.085 4.628 -0.948 1.00 72.12 C ATOM 882 CG2 ILE B 20 -0.514 3.299 1.129 1.00 74.41 C ATOM 883 CD1 ILE B 20 1.600 4.747 -0.732 1.00 52.22 C ATOM 0 H ILE B 20 -1.894 6.830 0.012 1.00 24.11 H new ATOM 0 HA ILE B 20 -2.537 4.011 -0.650 1.00 64.35 H new ATOM 0 HB ILE B 20 -0.417 5.440 0.970 1.00 3.34 H new ATOM 0 HG12 ILE B 20 -0.119 3.718 -1.513 1.00 72.12 H new ATOM 0 HG13 ILE B 20 -0.249 5.465 -1.561 1.00 72.12 H new ATOM 0 HG21 ILE B 20 0.551 3.180 1.327 1.00 74.41 H new ATOM 0 HG22 ILE B 20 -1.057 3.333 2.073 1.00 74.41 H new ATOM 0 HG23 ILE B 20 -0.869 2.456 0.536 1.00 74.41 H new ATOM 0 HD11 ILE B 20 2.105 4.758 -1.698 1.00 52.22 H new ATOM 0 HD12 ILE B 20 1.820 5.671 -0.197 1.00 52.22 H new ATOM 0 HD13 ILE B 20 1.952 3.897 -0.148 1.00 52.22 H new ATOM 894 N LEU B 21 -4.127 3.736 1.257 1.00 24.44 N ATOM 895 CA LEU B 21 -5.044 3.457 2.358 1.00 62.33 C ATOM 896 C LEU B 21 -4.643 2.136 3.019 1.00 64.21 C ATOM 897 O LEU B 21 -3.762 1.423 2.531 1.00 11.34 O ATOM 898 CB LEU B 21 -6.492 3.417 1.841 1.00 71.43 C ATOM 899 CG LEU B 21 -7.075 4.778 1.420 1.00 42.44 C ATOM 900 CD1 LEU B 21 -8.488 4.542 0.884 1.00 14.10 C ATOM 901 CD2 LEU B 21 -7.131 5.772 2.583 1.00 4.33 C ATOM 0 H LEU B 21 -4.321 3.181 0.423 1.00 24.44 H new ATOM 0 HA LEU B 21 -4.986 4.249 3.105 1.00 62.33 H new ATOM 0 HB2 LEU B 21 -6.538 2.740 0.988 1.00 71.43 H new ATOM 0 HB3 LEU B 21 -7.127 2.993 2.619 1.00 71.43 H new ATOM 0 HG LEU B 21 -6.427 5.212 0.659 1.00 42.44 H new ATOM 0 HD11 LEU B 21 -8.925 5.493 0.578 1.00 14.10 H new ATOM 0 HD12 LEU B 21 -8.444 3.870 0.027 1.00 14.10 H new ATOM 0 HD13 LEU B 21 -9.103 4.095 1.665 1.00 14.10 H new ATOM 0 HD21 LEU B 21 -7.550 6.716 2.235 1.00 4.33 H new ATOM 0 HD22 LEU B 21 -7.759 5.368 3.377 1.00 4.33 H new ATOM 0 HD23 LEU B 21 -6.125 5.941 2.966 1.00 4.33 H new ATOM 912 N TYR B 22 -5.252 1.817 4.157 1.00 51.44 N ATOM 913 CA TYR B 22 -5.038 0.617 4.962 1.00 62.44 C ATOM 914 C TYR B 22 -6.410 0.183 5.466 1.00 42.41 C ATOM 915 O TYR B 22 -7.230 1.066 5.741 1.00 25.35 O ATOM 916 CB TYR B 22 -4.106 0.974 6.125 1.00 24.44 C ATOM 917 CG TYR B 22 -3.836 -0.119 7.143 1.00 53.51 C ATOM 918 CD1 TYR B 22 -3.341 -1.368 6.723 1.00 74.03 C ATOM 919 CD2 TYR B 22 -3.971 0.146 8.521 1.00 52.42 C ATOM 920 CE1 TYR B 22 -2.951 -2.333 7.667 1.00 60.21 C ATOM 921 CE2 TYR B 22 -3.592 -0.818 9.470 1.00 43.44 C ATOM 922 CZ TYR B 22 -3.077 -2.059 9.044 1.00 51.22 C ATOM 923 OH TYR B 22 -2.669 -2.964 9.965 1.00 44.12 O ATOM 0 H TYR B 22 -5.955 2.430 4.569 1.00 51.44 H new ATOM 0 HA TYR B 22 -4.577 -0.192 4.396 1.00 62.44 H new ATOM 0 HB2 TYR B 22 -3.151 1.295 5.709 1.00 24.44 H new ATOM 0 HB3 TYR B 22 -4.529 1.830 6.650 1.00 24.44 H new ATOM 0 HD1 TYR B 22 -3.260 -1.586 5.668 1.00 74.03 H new ATOM 0 HD2 TYR B 22 -4.368 1.095 8.849 1.00 52.42 H new ATOM 0 HE1 TYR B 22 -2.556 -3.283 7.338 1.00 60.21 H new ATOM 0 HE2 TYR B 22 -3.695 -0.609 10.524 1.00 43.44 H new ATOM 0 HH TYR B 22 -2.829 -2.610 10.865 1.00 44.12 H new ATOM 932 N ILE B 23 -6.695 -1.120 5.539 1.00 43.12 N ATOM 933 CA ILE B 23 -7.977 -1.647 6.013 1.00 10.40 C ATOM 934 C ILE B 23 -7.708 -2.687 7.098 1.00 54.03 C ATOM 935 O ILE B 23 -6.713 -3.419 7.045 1.00 63.33 O ATOM 936 CB ILE B 23 -8.824 -2.322 4.901 1.00 35.41 C ATOM 937 CG1 ILE B 23 -8.814 -1.642 3.519 1.00 21.03 C ATOM 938 CG2 ILE B 23 -10.288 -2.529 5.354 1.00 31.04 C ATOM 939 CD1 ILE B 23 -9.467 -0.256 3.440 1.00 74.42 C ATOM 0 H ILE B 23 -6.034 -1.847 5.267 1.00 43.12 H new ATOM 0 HA ILE B 23 -8.547 -0.795 6.384 1.00 10.40 H new ATOM 0 HB ILE B 23 -8.317 -3.276 4.757 1.00 35.41 H new ATOM 0 HG12 ILE B 23 -7.779 -1.552 3.189 1.00 21.03 H new ATOM 0 HG13 ILE B 23 -9.318 -2.299 2.810 1.00 21.03 H new ATOM 0 HG21 ILE B 23 -10.853 -3.004 4.552 1.00 31.04 H new ATOM 0 HG22 ILE B 23 -10.309 -3.166 6.239 1.00 31.04 H new ATOM 0 HG23 ILE B 23 -10.735 -1.564 5.591 1.00 31.04 H new ATOM 0 HD11 ILE B 23 -9.399 0.121 2.419 1.00 74.42 H new ATOM 0 HD12 ILE B 23 -10.515 -0.331 3.730 1.00 74.42 H new ATOM 0 HD13 ILE B 23 -8.952 0.428 4.114 1.00 74.42 H new ATOM 950 N ARG B 24 -8.632 -2.784 8.055 1.00 21.32 N ATOM 951 CA ARG B 24 -8.620 -3.719 9.174 1.00 12.45 C ATOM 952 C ARG B 24 -10.012 -4.341 9.274 1.00 62.14 C ATOM 953 O ARG B 24 -10.983 -3.785 8.756 1.00 74.31 O ATOM 954 CB ARG B 24 -8.225 -3.011 10.481 1.00 64.15 C ATOM 955 CG ARG B 24 -6.775 -2.499 10.495 1.00 24.44 C ATOM 956 CD ARG B 24 -6.498 -1.662 11.748 1.00 4.35 C ATOM 957 NE ARG B 24 -6.492 -2.464 12.984 1.00 22.42 N ATOM 958 CZ ARG B 24 -6.584 -1.995 14.234 1.00 40.51 C ATOM 959 NH1 ARG B 24 -6.911 -0.720 14.464 1.00 20.04 N ATOM 960 NH2 ARG B 24 -6.385 -2.814 15.256 1.00 71.00 N ATOM 0 H ARG B 24 -9.452 -2.178 8.068 1.00 21.32 H new ATOM 0 HA ARG B 24 -7.876 -4.498 9.008 1.00 12.45 H new ATOM 0 HB2 ARG B 24 -8.899 -2.170 10.646 1.00 64.15 H new ATOM 0 HB3 ARG B 24 -8.365 -3.700 11.314 1.00 64.15 H new ATOM 0 HG2 ARG B 24 -6.087 -3.344 10.459 1.00 24.44 H new ATOM 0 HG3 ARG B 24 -6.589 -1.899 9.604 1.00 24.44 H new ATOM 0 HD2 ARG B 24 -5.535 -1.163 11.640 1.00 4.35 H new ATOM 0 HD3 ARG B 24 -7.254 -0.881 11.831 1.00 4.35 H new ATOM 0 HE ARG B 24 -6.410 -3.475 12.876 1.00 22.42 H new ATOM 0 HH11 ARG B 24 -7.094 -0.091 13.682 1.00 20.04 H new ATOM 0 HH12 ARG B 24 -6.978 -0.375 15.422 1.00 20.04 H new ATOM 0 HH21 ARG B 24 -6.163 -3.795 15.088 1.00 71.00 H new ATOM 0 HH22 ARG B 24 -6.454 -2.463 16.211 1.00 71.00 H new ATOM 971 N ASN B 25 -10.115 -5.468 9.981 1.00 71.11 N ATOM 972 CA ASN B 25 -11.330 -6.257 10.216 1.00 22.41 C ATOM 973 C ASN B 25 -11.851 -6.924 8.930 1.00 71.15 C ATOM 974 O ASN B 25 -13.037 -7.260 8.826 1.00 31.21 O ATOM 975 CB ASN B 25 -12.405 -5.417 10.934 1.00 12.12 C ATOM 976 CG ASN B 25 -13.305 -6.223 11.865 1.00 53.25 C ATOM 977 OD1 ASN B 25 -13.247 -7.445 11.951 1.00 3.15 O ATOM 978 ND2 ASN B 25 -14.123 -5.542 12.648 1.00 42.42 N ATOM 0 H ASN B 25 -9.301 -5.882 10.435 1.00 71.11 H new ATOM 0 HA ASN B 25 -11.068 -7.077 10.885 1.00 22.41 H new ATOM 0 HB2 ASN B 25 -11.914 -4.633 11.510 1.00 12.12 H new ATOM 0 HB3 ASN B 25 -13.024 -4.922 10.186 1.00 12.12 H new ATOM 0 HD21 ASN B 25 -14.707 -6.033 13.325 1.00 42.42 H new ATOM 0 HD22 ASN B 25 -14.170 -4.526 12.575 1.00 42.42 H new ATOM 984 N LEU B 26 -10.983 -7.098 7.924 1.00 31.53 N ATOM 985 CA LEU B 26 -11.320 -7.711 6.637 1.00 54.11 C ATOM 986 C LEU B 26 -11.798 -9.159 6.816 1.00 44.01 C ATOM 987 O LEU B 26 -11.390 -9.814 7.776 1.00 13.10 O ATOM 988 CB LEU B 26 -10.078 -7.737 5.723 1.00 50.03 C ATOM 989 CG LEU B 26 -9.665 -6.381 5.130 1.00 2.05 C ATOM 990 CD1 LEU B 26 -8.333 -6.545 4.393 1.00 5.54 C ATOM 991 CD2 LEU B 26 -10.706 -5.849 4.138 1.00 24.20 C ATOM 0 H LEU B 26 -10.007 -6.809 7.986 1.00 31.53 H new ATOM 0 HA LEU B 26 -12.117 -7.115 6.194 1.00 54.11 H new ATOM 0 HB2 LEU B 26 -9.238 -8.136 6.292 1.00 50.03 H new ATOM 0 HB3 LEU B 26 -10.266 -8.430 4.903 1.00 50.03 H new ATOM 0 HG LEU B 26 -9.579 -5.670 5.952 1.00 2.05 H new ATOM 0 HD11 LEU B 26 -8.032 -5.587 3.969 1.00 5.54 H new ATOM 0 HD12 LEU B 26 -7.570 -6.888 5.092 1.00 5.54 H new ATOM 0 HD13 LEU B 26 -8.447 -7.276 3.593 1.00 5.54 H new ATOM 0 HD21 LEU B 26 -10.375 -4.889 3.743 1.00 24.20 H new ATOM 0 HD22 LEU B 26 -10.823 -6.558 3.318 1.00 24.20 H new ATOM 0 HD23 LEU B 26 -11.662 -5.722 4.647 1.00 24.20 H new ATOM 1002 N PRO B 27 -12.597 -9.701 5.884 1.00 10.13 N ATOM 1003 CA PRO B 27 -13.087 -11.076 5.942 1.00 21.11 C ATOM 1004 C PRO B 27 -11.937 -12.080 5.762 1.00 64.41 C ATOM 1005 O PRO B 27 -11.045 -11.892 4.927 1.00 12.24 O ATOM 1006 CB PRO B 27 -14.146 -11.179 4.839 1.00 53.34 C ATOM 1007 CG PRO B 27 -13.780 -10.064 3.867 1.00 71.11 C ATOM 1008 CD PRO B 27 -13.136 -8.999 4.732 1.00 3.35 C ATOM 0 HA PRO B 27 -13.521 -11.320 6.911 1.00 21.11 H new ATOM 0 HB2 PRO B 27 -14.122 -12.155 4.354 1.00 53.34 H new ATOM 0 HB3 PRO B 27 -15.152 -11.046 5.238 1.00 53.34 H new ATOM 0 HG2 PRO B 27 -13.094 -10.418 3.098 1.00 71.11 H new ATOM 0 HG3 PRO B 27 -14.662 -9.679 3.355 1.00 71.11 H new ATOM 0 HD2 PRO B 27 -12.349 -8.476 4.188 1.00 3.35 H new ATOM 0 HD3 PRO B 27 -13.865 -8.248 5.037 1.00 3.35 H new ATOM 1013 N TYR B 28 -11.954 -13.153 6.560 1.00 30.31 N ATOM 1014 CA TYR B 28 -10.938 -14.207 6.533 1.00 72.51 C ATOM 1015 C TYR B 28 -10.967 -15.018 5.240 1.00 62.31 C ATOM 1016 O TYR B 28 -9.977 -15.672 4.914 1.00 24.41 O ATOM 1017 CB TYR B 28 -11.123 -15.166 7.716 1.00 23.44 C ATOM 1018 CG TYR B 28 -10.895 -14.587 9.098 1.00 2.35 C ATOM 1019 CD1 TYR B 28 -9.635 -14.073 9.459 1.00 64.25 C ATOM 1020 CD2 TYR B 28 -11.932 -14.605 10.047 1.00 63.34 C ATOM 1021 CE1 TYR B 28 -9.409 -13.547 10.740 1.00 40.41 C ATOM 1022 CE2 TYR B 28 -11.704 -14.131 11.347 1.00 11.22 C ATOM 1023 CZ TYR B 28 -10.444 -13.602 11.704 1.00 23.21 C ATOM 1024 OH TYR B 28 -10.242 -13.201 12.991 1.00 63.20 O ATOM 0 H TYR B 28 -12.685 -13.315 7.252 1.00 30.31 H new ATOM 0 HA TYR B 28 -9.974 -13.702 6.599 1.00 72.51 H new ATOM 0 HB2 TYR B 28 -12.137 -15.565 7.676 1.00 23.44 H new ATOM 0 HB3 TYR B 28 -10.443 -16.008 7.582 1.00 23.44 H new ATOM 0 HD1 TYR B 28 -8.830 -14.084 8.739 1.00 64.25 H new ATOM 0 HD2 TYR B 28 -12.906 -14.984 9.774 1.00 63.34 H new ATOM 0 HE1 TYR B 28 -8.455 -13.105 10.988 1.00 40.41 H new ATOM 0 HE2 TYR B 28 -12.497 -14.171 12.080 1.00 11.22 H new ATOM 0 HH TYR B 28 -11.071 -13.313 13.502 1.00 63.20 H new ATOM 1033 N LYS B 29 -12.105 -15.044 4.547 1.00 43.43 N ATOM 1034 CA LYS B 29 -12.316 -15.746 3.295 1.00 41.20 C ATOM 1035 C LYS B 29 -12.941 -14.740 2.352 1.00 61.03 C ATOM 1036 O LYS B 29 -14.042 -14.257 2.633 1.00 44.24 O ATOM 1037 CB LYS B 29 -13.207 -16.986 3.467 1.00 12.14 C ATOM 1038 CG LYS B 29 -12.477 -18.180 4.092 1.00 54.01 C ATOM 1039 CD LYS B 29 -12.478 -18.160 5.628 1.00 25.05 C ATOM 1040 CE LYS B 29 -11.202 -18.763 6.228 1.00 62.25 C ATOM 1041 NZ LYS B 29 -11.148 -20.223 6.037 1.00 53.42 N ATOM 0 H LYS B 29 -12.940 -14.551 4.864 1.00 43.43 H new ATOM 0 HA LYS B 29 -11.373 -16.126 2.903 1.00 41.20 H new ATOM 0 HB2 LYS B 29 -14.062 -16.726 4.091 1.00 12.14 H new ATOM 0 HB3 LYS B 29 -13.600 -17.279 2.494 1.00 12.14 H new ATOM 0 HG2 LYS B 29 -12.944 -19.103 3.748 1.00 54.01 H new ATOM 0 HG3 LYS B 29 -11.447 -18.193 3.737 1.00 54.01 H new ATOM 0 HD2 LYS B 29 -12.587 -17.132 5.974 1.00 25.05 H new ATOM 0 HD3 LYS B 29 -13.343 -18.713 5.994 1.00 25.05 H new ATOM 0 HE2 LYS B 29 -10.329 -18.303 5.765 1.00 62.25 H new ATOM 0 HE3 LYS B 29 -11.156 -18.533 7.293 1.00 62.25 H new ATOM 0 HZ1 LYS B 29 -10.272 -20.596 6.455 1.00 53.42 H new ATOM 0 HZ2 LYS B 29 -11.968 -20.664 6.500 1.00 53.42 H new ATOM 0 HZ3 LYS B 29 -11.166 -20.441 5.020 1.00 53.42 H new ATOM 1051 N ILE B 30 -12.232 -14.357 1.296 1.00 52.21 N ATOM 1052 CA ILE B 30 -12.732 -13.419 0.304 1.00 35.23 C ATOM 1053 C ILE B 30 -11.924 -13.599 -0.968 1.00 65.41 C ATOM 1054 O ILE B 30 -10.691 -13.641 -0.931 1.00 2.44 O ATOM 1055 CB ILE B 30 -12.739 -11.971 0.831 1.00 20.54 C ATOM 1056 CG1 ILE B 30 -13.427 -11.082 -0.216 1.00 11.01 C ATOM 1057 CG2 ILE B 30 -11.341 -11.450 1.224 1.00 21.21 C ATOM 1058 CD1 ILE B 30 -13.877 -9.721 0.313 1.00 73.30 C ATOM 0 H ILE B 30 -11.288 -14.692 1.105 1.00 52.21 H new ATOM 0 HA ILE B 30 -13.778 -13.630 0.081 1.00 35.23 H new ATOM 0 HB ILE B 30 -13.301 -11.943 1.765 1.00 20.54 H new ATOM 0 HG12 ILE B 30 -12.742 -10.926 -1.050 1.00 11.01 H new ATOM 0 HG13 ILE B 30 -14.295 -11.610 -0.611 1.00 11.01 H new ATOM 0 HG21 ILE B 30 -11.423 -10.425 1.586 1.00 21.21 H new ATOM 0 HG22 ILE B 30 -10.926 -12.080 2.010 1.00 21.21 H new ATOM 0 HG23 ILE B 30 -10.685 -11.476 0.354 1.00 21.21 H new ATOM 0 HD11 ILE B 30 -14.352 -9.158 -0.490 1.00 73.30 H new ATOM 0 HD12 ILE B 30 -14.588 -9.864 1.127 1.00 73.30 H new ATOM 0 HD13 ILE B 30 -13.012 -9.169 0.680 1.00 73.30 H new ATOM 1069 N THR B 31 -12.612 -13.761 -2.086 1.00 42.14 N ATOM 1070 CA THR B 31 -11.985 -13.945 -3.380 1.00 15.55 C ATOM 1071 C THR B 31 -11.614 -12.575 -3.966 1.00 64.50 C ATOM 1072 O THR B 31 -12.003 -11.535 -3.426 1.00 25.25 O ATOM 1073 CB THR B 31 -12.944 -14.785 -4.244 1.00 51.53 C ATOM 1074 OG1 THR B 31 -14.287 -14.342 -4.160 1.00 41.40 O ATOM 1075 CG2 THR B 31 -12.934 -16.242 -3.764 1.00 30.50 C ATOM 0 H THR B 31 -13.631 -13.768 -2.119 1.00 42.14 H new ATOM 0 HA THR B 31 -11.044 -14.493 -3.322 1.00 15.55 H new ATOM 0 HB THR B 31 -12.593 -14.684 -5.271 1.00 51.53 H new ATOM 0 HG1 THR B 31 -14.854 -14.906 -4.727 1.00 41.40 H new ATOM 0 HG21 THR B 31 -13.614 -16.832 -4.378 1.00 30.50 H new ATOM 0 HG22 THR B 31 -11.925 -16.646 -3.849 1.00 30.50 H new ATOM 0 HG23 THR B 31 -13.256 -16.284 -2.723 1.00 30.50 H new ATOM 1083 N ALA B 32 -10.829 -12.560 -5.050 1.00 1.11 N ATOM 1084 CA ALA B 32 -10.429 -11.312 -5.692 1.00 41.01 C ATOM 1085 C ALA B 32 -11.670 -10.573 -6.185 1.00 44.32 C ATOM 1086 O ALA B 32 -11.833 -9.406 -5.846 1.00 2.11 O ATOM 1087 CB ALA B 32 -9.474 -11.594 -6.858 1.00 15.12 C ATOM 0 H ALA B 32 -10.461 -13.400 -5.497 1.00 1.11 H new ATOM 0 HA ALA B 32 -9.906 -10.687 -4.968 1.00 41.01 H new ATOM 0 HB1 ALA B 32 -9.185 -10.654 -7.327 1.00 15.12 H new ATOM 0 HB2 ALA B 32 -8.585 -12.102 -6.485 1.00 15.12 H new ATOM 0 HB3 ALA B 32 -9.973 -12.227 -7.592 1.00 15.12 H new ATOM 1093 N GLU B 33 -12.568 -11.285 -6.874 1.00 3.53 N ATOM 1094 CA GLU B 33 -13.802 -10.754 -7.445 1.00 73.21 C ATOM 1095 C GLU B 33 -14.590 -9.907 -6.451 1.00 23.24 C ATOM 1096 O GLU B 33 -15.040 -8.828 -6.818 1.00 0.51 O ATOM 1097 CB GLU B 33 -14.668 -11.911 -7.939 1.00 2.50 C ATOM 1098 CG GLU B 33 -14.059 -12.628 -9.147 1.00 31.51 C ATOM 1099 CD GLU B 33 -14.881 -13.875 -9.449 1.00 61.31 C ATOM 1100 OE1 GLU B 33 -16.018 -13.736 -9.960 1.00 30.24 O ATOM 1101 OE2 GLU B 33 -14.443 -14.982 -9.062 1.00 23.35 O ATOM 0 H GLU B 33 -12.448 -12.282 -7.054 1.00 3.53 H new ATOM 0 HA GLU B 33 -13.527 -10.102 -8.274 1.00 73.21 H new ATOM 0 HB2 GLU B 33 -14.808 -12.627 -7.129 1.00 2.50 H new ATOM 0 HB3 GLU B 33 -15.655 -11.533 -8.205 1.00 2.50 H new ATOM 0 HG2 GLU B 33 -14.048 -11.965 -10.012 1.00 31.51 H new ATOM 0 HG3 GLU B 33 -13.024 -12.900 -8.941 1.00 31.51 H new ATOM 1106 N GLU B 34 -14.772 -10.400 -5.222 1.00 54.12 N ATOM 1107 CA GLU B 34 -15.497 -9.711 -4.164 1.00 23.45 C ATOM 1108 C GLU B 34 -14.792 -8.395 -3.828 1.00 1.04 C ATOM 1109 O GLU B 34 -15.433 -7.347 -3.799 1.00 51.44 O ATOM 1110 CB GLU B 34 -15.552 -10.616 -2.924 1.00 74.34 C ATOM 1111 CG GLU B 34 -16.675 -11.663 -2.928 1.00 1.23 C ATOM 1112 CD GLU B 34 -17.924 -11.141 -2.219 1.00 35.21 C ATOM 1113 OE1 GLU B 34 -17.948 -11.091 -0.959 1.00 3.32 O ATOM 1114 OE2 GLU B 34 -18.921 -10.780 -2.878 1.00 32.32 O ATOM 0 H GLU B 34 -14.409 -11.309 -4.935 1.00 54.12 H new ATOM 0 HA GLU B 34 -16.512 -9.488 -4.494 1.00 23.45 H new ATOM 0 HB2 GLU B 34 -14.597 -11.132 -2.828 1.00 74.34 H new ATOM 0 HB3 GLU B 34 -15.666 -9.988 -2.040 1.00 74.34 H new ATOM 0 HG2 GLU B 34 -16.922 -11.930 -3.955 1.00 1.23 H new ATOM 0 HG3 GLU B 34 -16.329 -12.572 -2.437 1.00 1.23 H new ATOM 1119 N MET B 35 -13.485 -8.449 -3.543 1.00 40.51 N ATOM 1120 CA MET B 35 -12.698 -7.270 -3.198 1.00 2.10 C ATOM 1121 C MET B 35 -12.731 -6.247 -4.328 1.00 31.11 C ATOM 1122 O MET B 35 -12.901 -5.052 -4.066 1.00 31.43 O ATOM 1123 CB MET B 35 -11.241 -7.653 -2.905 1.00 0.34 C ATOM 1124 CG MET B 35 -11.059 -8.345 -1.557 1.00 44.13 C ATOM 1125 SD MET B 35 -11.145 -7.278 -0.077 1.00 22.32 S ATOM 1126 CE MET B 35 -9.685 -6.204 -0.236 1.00 41.11 C ATOM 0 H MET B 35 -12.947 -9.316 -3.547 1.00 40.51 H new ATOM 0 HA MET B 35 -13.139 -6.830 -2.304 1.00 2.10 H new ATOM 0 HB2 MET B 35 -10.879 -8.311 -3.695 1.00 0.34 H new ATOM 0 HB3 MET B 35 -10.624 -6.755 -2.931 1.00 0.34 H new ATOM 0 HG2 MET B 35 -11.821 -9.119 -1.465 1.00 44.13 H new ATOM 0 HG3 MET B 35 -10.092 -8.848 -1.559 1.00 44.13 H new ATOM 0 HE1 MET B 35 -9.573 -5.606 0.668 1.00 41.11 H new ATOM 0 HE2 MET B 35 -8.795 -6.818 -0.377 1.00 41.11 H new ATOM 0 HE3 MET B 35 -9.811 -5.544 -1.094 1.00 41.11 H new ATOM 1134 N TYR B 36 -12.490 -6.683 -5.564 1.00 43.41 N ATOM 1135 CA TYR B 36 -12.497 -5.802 -6.718 1.00 65.42 C ATOM 1136 C TYR B 36 -13.900 -5.231 -6.924 1.00 64.14 C ATOM 1137 O TYR B 36 -14.000 -4.106 -7.401 1.00 15.25 O ATOM 1138 CB TYR B 36 -11.949 -6.522 -7.958 1.00 13.14 C ATOM 1139 CG TYR B 36 -10.429 -6.452 -8.087 1.00 34.52 C ATOM 1140 CD1 TYR B 36 -9.837 -5.365 -8.756 1.00 4.32 C ATOM 1141 CD2 TYR B 36 -9.599 -7.450 -7.538 1.00 61.30 C ATOM 1142 CE1 TYR B 36 -8.437 -5.222 -8.795 1.00 33.52 C ATOM 1143 CE2 TYR B 36 -8.195 -7.331 -7.587 1.00 23.42 C ATOM 1144 CZ TYR B 36 -7.608 -6.195 -8.192 1.00 73.00 C ATOM 1145 OH TYR B 36 -6.255 -6.036 -8.214 1.00 44.42 O ATOM 0 H TYR B 36 -12.285 -7.657 -5.787 1.00 43.41 H new ATOM 0 HA TYR B 36 -11.829 -4.959 -6.541 1.00 65.42 H new ATOM 0 HB2 TYR B 36 -12.254 -7.568 -7.924 1.00 13.14 H new ATOM 0 HB3 TYR B 36 -12.401 -6.087 -8.849 1.00 13.14 H new ATOM 0 HD1 TYR B 36 -10.463 -4.633 -9.245 1.00 4.32 H new ATOM 0 HD2 TYR B 36 -10.044 -8.317 -7.074 1.00 61.30 H new ATOM 0 HE1 TYR B 36 -7.996 -4.367 -9.286 1.00 33.52 H new ATOM 0 HE2 TYR B 36 -7.570 -8.104 -7.164 1.00 23.42 H new ATOM 0 HH TYR B 36 -5.831 -6.774 -7.729 1.00 44.42 H new ATOM 1154 N ASP B 37 -14.970 -5.940 -6.536 1.00 11.14 N ATOM 1155 CA ASP B 37 -16.333 -5.436 -6.684 1.00 1.22 C ATOM 1156 C ASP B 37 -16.520 -4.272 -5.723 1.00 52.41 C ATOM 1157 O ASP B 37 -16.730 -3.139 -6.145 1.00 4.44 O ATOM 1158 CB ASP B 37 -17.407 -6.527 -6.424 1.00 62.13 C ATOM 1159 CG ASP B 37 -18.605 -6.391 -7.355 1.00 10.52 C ATOM 1160 OD1 ASP B 37 -18.364 -6.167 -8.565 1.00 32.42 O ATOM 1161 OD2 ASP B 37 -19.762 -6.624 -6.947 1.00 13.30 O ATOM 0 H ASP B 37 -14.912 -6.868 -6.116 1.00 11.14 H new ATOM 0 HA ASP B 37 -16.469 -5.112 -7.716 1.00 1.22 H new ATOM 0 HB2 ASP B 37 -16.959 -7.513 -6.553 1.00 62.13 H new ATOM 0 HB3 ASP B 37 -17.744 -6.463 -5.389 1.00 62.13 H new ATOM 1165 N ILE B 38 -16.396 -4.563 -4.426 1.00 60.45 N ATOM 1166 CA ILE B 38 -16.549 -3.640 -3.312 1.00 1.51 C ATOM 1167 C ILE B 38 -15.810 -2.324 -3.573 1.00 61.35 C ATOM 1168 O ILE B 38 -16.430 -1.264 -3.550 1.00 13.04 O ATOM 1169 CB ILE B 38 -16.069 -4.347 -2.015 1.00 32.15 C ATOM 1170 CG1 ILE B 38 -16.976 -5.548 -1.640 1.00 24.42 C ATOM 1171 CG2 ILE B 38 -16.017 -3.368 -0.820 1.00 70.30 C ATOM 1172 CD1 ILE B 38 -16.278 -6.551 -0.706 1.00 14.40 C ATOM 0 H ILE B 38 -16.173 -5.508 -4.113 1.00 60.45 H new ATOM 0 HA ILE B 38 -17.598 -3.370 -3.194 1.00 1.51 H new ATOM 0 HB ILE B 38 -15.064 -4.714 -2.225 1.00 32.15 H new ATOM 0 HG12 ILE B 38 -17.881 -5.178 -1.158 1.00 24.42 H new ATOM 0 HG13 ILE B 38 -17.287 -6.061 -2.550 1.00 24.42 H new ATOM 0 HG21 ILE B 38 -15.677 -3.898 0.070 1.00 70.30 H new ATOM 0 HG22 ILE B 38 -15.326 -2.556 -1.045 1.00 70.30 H new ATOM 0 HG23 ILE B 38 -17.011 -2.959 -0.641 1.00 70.30 H new ATOM 0 HD11 ILE B 38 -16.960 -7.370 -0.477 1.00 14.40 H new ATOM 0 HD12 ILE B 38 -15.388 -6.946 -1.196 1.00 14.40 H new ATOM 0 HD13 ILE B 38 -15.991 -6.049 0.218 1.00 14.40 H new ATOM 1183 N PHE B 39 -14.497 -2.391 -3.802 1.00 62.11 N ATOM 1184 CA PHE B 39 -13.684 -1.205 -4.013 1.00 22.11 C ATOM 1185 C PHE B 39 -13.811 -0.610 -5.414 1.00 41.15 C ATOM 1186 O PHE B 39 -13.814 0.616 -5.545 1.00 4.12 O ATOM 1187 CB PHE B 39 -12.229 -1.528 -3.659 1.00 62.40 C ATOM 1188 CG PHE B 39 -11.991 -1.763 -2.175 1.00 53.35 C ATOM 1189 CD1 PHE B 39 -12.429 -2.946 -1.542 1.00 44.12 C ATOM 1190 CD2 PHE B 39 -11.291 -0.806 -1.418 1.00 52.30 C ATOM 1191 CE1 PHE B 39 -12.156 -3.177 -0.185 1.00 63.54 C ATOM 1192 CE2 PHE B 39 -11.026 -1.031 -0.058 1.00 31.54 C ATOM 1193 CZ PHE B 39 -11.449 -2.221 0.558 1.00 52.13 C ATOM 0 H PHE B 39 -13.975 -3.266 -3.845 1.00 62.11 H new ATOM 0 HA PHE B 39 -14.060 -0.425 -3.351 1.00 22.11 H new ATOM 0 HB2 PHE B 39 -11.920 -2.416 -4.211 1.00 62.40 H new ATOM 0 HB3 PHE B 39 -11.594 -0.708 -3.993 1.00 62.40 H new ATOM 0 HD1 PHE B 39 -12.981 -3.682 -2.108 1.00 44.12 H new ATOM 0 HD2 PHE B 39 -10.955 0.108 -1.886 1.00 52.30 H new ATOM 0 HE1 PHE B 39 -12.490 -4.090 0.286 1.00 63.54 H new ATOM 0 HE2 PHE B 39 -10.495 -0.287 0.517 1.00 31.54 H new ATOM 0 HZ PHE B 39 -11.230 -2.399 1.601 1.00 52.13 H new ATOM 1202 N GLY B 40 -13.914 -1.437 -6.458 1.00 40.23 N ATOM 1203 CA GLY B 40 -14.031 -0.977 -7.838 1.00 11.14 C ATOM 1204 C GLY B 40 -15.245 -0.078 -8.008 1.00 42.11 C ATOM 1205 O GLY B 40 -15.175 0.934 -8.710 1.00 42.32 O ATOM 0 H GLY B 40 -13.918 -2.453 -6.365 1.00 40.23 H new ATOM 0 HA2 GLY B 40 -13.129 -0.435 -8.123 1.00 11.14 H new ATOM 0 HA3 GLY B 40 -14.112 -1.835 -8.506 1.00 11.14 H new ATOM 1209 N LYS B 41 -16.347 -0.394 -7.321 1.00 14.44 N ATOM 1210 CA LYS B 41 -17.570 0.399 -7.391 1.00 2.45 C ATOM 1211 C LYS B 41 -17.303 1.849 -6.989 1.00 60.45 C ATOM 1212 O LYS B 41 -17.989 2.749 -7.485 1.00 51.50 O ATOM 1213 CB LYS B 41 -18.631 -0.228 -6.484 1.00 52.34 C ATOM 1214 CG LYS B 41 -19.196 -1.525 -7.089 1.00 12.32 C ATOM 1215 CD LYS B 41 -19.804 -2.425 -6.009 1.00 45.23 C ATOM 1216 CE LYS B 41 -20.971 -1.739 -5.305 1.00 74.21 C ATOM 1217 NZ LYS B 41 -22.174 -1.661 -6.153 1.00 12.41 N ATOM 0 H LYS B 41 -16.413 -1.204 -6.704 1.00 14.44 H new ATOM 0 HA LYS B 41 -17.933 0.404 -8.419 1.00 2.45 H new ATOM 0 HB2 LYS B 41 -18.197 -0.440 -5.507 1.00 52.34 H new ATOM 0 HB3 LYS B 41 -19.441 0.483 -6.325 1.00 52.34 H new ATOM 0 HG2 LYS B 41 -19.955 -1.281 -7.832 1.00 12.32 H new ATOM 0 HG3 LYS B 41 -18.402 -2.062 -7.608 1.00 12.32 H new ATOM 0 HD2 LYS B 41 -20.146 -3.357 -6.460 1.00 45.23 H new ATOM 0 HD3 LYS B 41 -19.039 -2.686 -5.278 1.00 45.23 H new ATOM 0 HE2 LYS B 41 -21.210 -2.282 -4.391 1.00 74.21 H new ATOM 0 HE3 LYS B 41 -20.673 -0.733 -5.010 1.00 74.21 H new ATOM 0 HZ1 LYS B 41 -22.938 -1.187 -5.630 1.00 12.41 H new ATOM 0 HZ2 LYS B 41 -21.957 -1.120 -7.014 1.00 12.41 H new ATOM 0 HZ3 LYS B 41 -22.477 -2.621 -6.414 1.00 12.41 H new ATOM 1227 N TYR B 42 -16.352 2.093 -6.087 1.00 14.31 N ATOM 1228 CA TYR B 42 -16.008 3.432 -5.649 1.00 25.24 C ATOM 1229 C TYR B 42 -15.138 4.085 -6.718 1.00 63.24 C ATOM 1230 O TYR B 42 -15.472 5.168 -7.204 1.00 71.21 O ATOM 1231 CB TYR B 42 -15.292 3.402 -4.287 1.00 71.32 C ATOM 1232 CG TYR B 42 -15.974 2.550 -3.230 1.00 34.33 C ATOM 1233 CD1 TYR B 42 -17.371 2.601 -3.057 1.00 71.30 C ATOM 1234 CD2 TYR B 42 -15.206 1.723 -2.391 1.00 33.24 C ATOM 1235 CE1 TYR B 42 -18.002 1.799 -2.092 1.00 43.51 C ATOM 1236 CE2 TYR B 42 -15.830 0.918 -1.418 1.00 1.30 C ATOM 1237 CZ TYR B 42 -17.240 0.915 -1.294 1.00 51.34 C ATOM 1238 OH TYR B 42 -17.850 0.149 -0.349 1.00 73.30 O ATOM 0 H TYR B 42 -15.800 1.359 -5.642 1.00 14.31 H new ATOM 0 HA TYR B 42 -16.917 4.018 -5.515 1.00 25.24 H new ATOM 0 HB2 TYR B 42 -14.277 3.032 -4.433 1.00 71.32 H new ATOM 0 HB3 TYR B 42 -15.208 4.422 -3.913 1.00 71.32 H new ATOM 0 HD1 TYR B 42 -17.962 3.263 -3.672 1.00 71.30 H new ATOM 0 HD2 TYR B 42 -14.131 1.705 -2.493 1.00 33.24 H new ATOM 0 HE1 TYR B 42 -19.072 1.858 -1.959 1.00 43.51 H new ATOM 0 HE2 TYR B 42 -15.231 0.301 -0.765 1.00 1.30 H new ATOM 0 HH TYR B 42 -17.309 -0.650 -0.176 1.00 73.30 H new ATOM 1247 N GLY B 43 -14.024 3.463 -7.103 1.00 32.33 N ATOM 1248 CA GLY B 43 -13.136 4.032 -8.104 1.00 51.41 C ATOM 1249 C GLY B 43 -11.981 3.102 -8.460 1.00 4.04 C ATOM 1250 O GLY B 43 -12.001 1.927 -8.076 1.00 13.24 O ATOM 0 H GLY B 43 -13.719 2.563 -6.733 1.00 32.33 H new ATOM 0 HA2 GLY B 43 -13.707 4.257 -9.005 1.00 51.41 H new ATOM 0 HA3 GLY B 43 -12.737 4.977 -7.735 1.00 51.41 H new ATOM 1254 N PRO B 44 -10.956 3.621 -9.160 1.00 12.20 N ATOM 1255 CA PRO B 44 -9.804 2.846 -9.588 1.00 72.31 C ATOM 1256 C PRO B 44 -9.051 2.161 -8.458 1.00 43.43 C ATOM 1257 O PRO B 44 -9.038 2.608 -7.307 1.00 4.52 O ATOM 1258 CB PRO B 44 -8.891 3.809 -10.357 1.00 53.25 C ATOM 1259 CG PRO B 44 -9.350 5.194 -9.904 1.00 25.52 C ATOM 1260 CD PRO B 44 -10.838 4.987 -9.646 1.00 11.41 C ATOM 0 HA PRO B 44 -10.149 2.021 -10.211 1.00 72.31 H new ATOM 0 HB2 PRO B 44 -7.841 3.639 -10.119 1.00 53.25 H new ATOM 0 HB3 PRO B 44 -8.998 3.686 -11.435 1.00 53.25 H new ATOM 0 HG2 PRO B 44 -8.825 5.521 -9.006 1.00 25.52 H new ATOM 0 HG3 PRO B 44 -9.173 5.950 -10.670 1.00 25.52 H new ATOM 0 HD2 PRO B 44 -11.213 5.700 -8.911 1.00 11.41 H new ATOM 0 HD3 PRO B 44 -11.419 5.132 -10.557 1.00 11.41 H new ATOM 1265 N ILE B 45 -8.350 1.098 -8.837 1.00 52.42 N ATOM 1266 CA ILE B 45 -7.540 0.273 -7.971 1.00 4.53 C ATOM 1267 C ILE B 45 -6.179 0.243 -8.651 1.00 32.24 C ATOM 1268 O ILE B 45 -6.003 -0.442 -9.657 1.00 73.52 O ATOM 1269 CB ILE B 45 -8.193 -1.124 -7.826 1.00 45.51 C ATOM 1270 CG1 ILE B 45 -9.518 -1.019 -7.038 1.00 63.42 C ATOM 1271 CG2 ILE B 45 -7.223 -2.082 -7.120 1.00 62.03 C ATOM 1272 CD1 ILE B 45 -10.375 -2.287 -7.051 1.00 33.44 C ATOM 0 H ILE B 45 -8.336 0.779 -9.806 1.00 52.42 H new ATOM 0 HA ILE B 45 -7.446 0.648 -6.952 1.00 4.53 H new ATOM 0 HB ILE B 45 -8.415 -1.516 -8.819 1.00 45.51 H new ATOM 0 HG12 ILE B 45 -9.290 -0.762 -6.004 1.00 63.42 H new ATOM 0 HG13 ILE B 45 -10.104 -0.197 -7.449 1.00 63.42 H new ATOM 0 HG21 ILE B 45 -7.688 -3.063 -7.021 1.00 62.03 H new ATOM 0 HG22 ILE B 45 -6.309 -2.171 -7.706 1.00 62.03 H new ATOM 0 HG23 ILE B 45 -6.983 -1.693 -6.131 1.00 62.03 H new ATOM 0 HD11 ILE B 45 -11.283 -2.118 -6.473 1.00 33.44 H new ATOM 0 HD12 ILE B 45 -10.640 -2.537 -8.078 1.00 33.44 H new ATOM 0 HD13 ILE B 45 -9.813 -3.111 -6.611 1.00 33.44 H new ATOM 1283 N ARG B 46 -5.213 1.013 -8.142 1.00 52.43 N ATOM 1284 CA ARG B 46 -3.885 1.021 -8.735 1.00 74.13 C ATOM 1285 C ARG B 46 -3.171 -0.254 -8.325 1.00 53.43 C ATOM 1286 O ARG B 46 -2.679 -0.966 -9.199 1.00 63.52 O ATOM 1287 CB ARG B 46 -3.062 2.263 -8.346 1.00 74.21 C ATOM 1288 CG ARG B 46 -1.676 2.277 -9.023 1.00 15.41 C ATOM 1289 CD ARG B 46 -1.648 2.295 -10.557 1.00 72.43 C ATOM 1290 NE ARG B 46 -0.359 1.835 -11.116 1.00 33.30 N ATOM 1291 CZ ARG B 46 -0.113 0.620 -11.633 1.00 32.10 C ATOM 1292 NH1 ARG B 46 -0.906 -0.410 -11.359 1.00 61.01 N ATOM 1293 NH2 ARG B 46 0.927 0.423 -12.435 1.00 70.12 N ATOM 0 H ARG B 46 -5.328 1.626 -7.335 1.00 52.43 H new ATOM 0 HA ARG B 46 -3.992 1.066 -9.819 1.00 74.13 H new ATOM 0 HB2 ARG B 46 -3.610 3.163 -8.625 1.00 74.21 H new ATOM 0 HB3 ARG B 46 -2.936 2.290 -7.264 1.00 74.21 H new ATOM 0 HG2 ARG B 46 -1.133 3.152 -8.664 1.00 15.41 H new ATOM 0 HG3 ARG B 46 -1.125 1.399 -8.685 1.00 15.41 H new ATOM 0 HD2 ARG B 46 -2.449 1.662 -10.937 1.00 72.43 H new ATOM 0 HD3 ARG B 46 -1.849 3.308 -10.907 1.00 72.43 H new ATOM 0 HE ARG B 46 0.414 2.501 -11.108 1.00 33.30 H new ATOM 0 HH11 ARG B 46 -1.714 -0.284 -10.749 1.00 61.01 H new ATOM 0 HH12 ARG B 46 -0.707 -1.327 -11.759 1.00 61.01 H new ATOM 0 HH21 ARG B 46 1.549 1.199 -12.664 1.00 70.12 H new ATOM 0 HH22 ARG B 46 1.104 -0.504 -12.822 1.00 70.12 H new ATOM 1304 N GLN B 47 -3.084 -0.524 -7.020 1.00 41.32 N ATOM 1305 CA GLN B 47 -2.406 -1.696 -6.493 1.00 35.21 C ATOM 1306 C GLN B 47 -3.035 -2.096 -5.160 1.00 11.35 C ATOM 1307 O GLN B 47 -3.602 -1.249 -4.460 1.00 30.02 O ATOM 1308 CB GLN B 47 -0.919 -1.327 -6.298 1.00 45.53 C ATOM 1309 CG GLN B 47 0.045 -2.503 -6.482 1.00 61.50 C ATOM 1310 CD GLN B 47 0.038 -3.035 -7.908 1.00 24.13 C ATOM 1311 OE1 GLN B 47 -0.322 -4.181 -8.107 1.00 55.35 O ATOM 1312 NE2 GLN B 47 0.404 -2.278 -8.923 1.00 70.41 N ATOM 0 H GLN B 47 -3.488 0.074 -6.299 1.00 41.32 H new ATOM 0 HA GLN B 47 -2.497 -2.539 -7.178 1.00 35.21 H new ATOM 0 HB2 GLN B 47 -0.655 -0.540 -7.005 1.00 45.53 H new ATOM 0 HB3 GLN B 47 -0.786 -0.915 -5.298 1.00 45.53 H new ATOM 0 HG2 GLN B 47 1.055 -2.187 -6.219 1.00 61.50 H new ATOM 0 HG3 GLN B 47 -0.228 -3.305 -5.796 1.00 61.50 H new ATOM 0 HE21 GLN B 47 0.706 -1.318 -8.760 1.00 70.41 H new ATOM 0 HE22 GLN B 47 0.385 -2.653 -9.872 1.00 70.41 H new ATOM 1319 N ILE B 48 -2.925 -3.379 -4.803 1.00 44.21 N ATOM 1320 CA ILE B 48 -3.441 -3.951 -3.563 1.00 33.32 C ATOM 1321 C ILE B 48 -2.470 -5.039 -3.143 1.00 20.12 C ATOM 1322 O ILE B 48 -2.053 -5.841 -3.980 1.00 0.31 O ATOM 1323 CB ILE B 48 -4.854 -4.579 -3.717 1.00 24.13 C ATOM 1324 CG1 ILE B 48 -5.873 -3.512 -4.142 1.00 10.01 C ATOM 1325 CG2 ILE B 48 -5.305 -5.233 -2.385 1.00 64.22 C ATOM 1326 CD1 ILE B 48 -7.278 -4.048 -4.406 1.00 72.01 C ATOM 0 H ILE B 48 -2.458 -4.069 -5.392 1.00 44.21 H new ATOM 0 HA ILE B 48 -3.533 -3.152 -2.827 1.00 33.32 H new ATOM 0 HB ILE B 48 -4.803 -5.347 -4.489 1.00 24.13 H new ATOM 0 HG12 ILE B 48 -5.929 -2.750 -3.364 1.00 10.01 H new ATOM 0 HG13 ILE B 48 -5.510 -3.020 -5.044 1.00 10.01 H new ATOM 0 HG21 ILE B 48 -6.297 -5.668 -2.511 1.00 64.22 H new ATOM 0 HG22 ILE B 48 -4.599 -6.015 -2.106 1.00 64.22 H new ATOM 0 HG23 ILE B 48 -5.337 -4.477 -1.601 1.00 64.22 H new ATOM 0 HD11 ILE B 48 -7.931 -3.227 -4.700 1.00 72.01 H new ATOM 0 HD12 ILE B 48 -7.241 -4.787 -5.206 1.00 72.01 H new ATOM 0 HD13 ILE B 48 -7.666 -4.513 -3.500 1.00 72.01 H new ATOM 1337 N ARG B 49 -2.121 -5.076 -1.856 1.00 14.23 N ATOM 1338 CA ARG B 49 -1.237 -6.078 -1.274 1.00 70.41 C ATOM 1339 C ARG B 49 -1.929 -6.535 -0.001 1.00 32.24 C ATOM 1340 O ARG B 49 -2.230 -5.720 0.881 1.00 11.53 O ATOM 1341 CB ARG B 49 0.193 -5.557 -1.070 1.00 12.53 C ATOM 1342 CG ARG B 49 1.050 -5.684 -2.337 1.00 13.55 C ATOM 1343 CD ARG B 49 2.368 -4.901 -2.355 1.00 70.11 C ATOM 1344 NE ARG B 49 2.115 -3.484 -2.642 1.00 71.41 N ATOM 1345 CZ ARG B 49 2.536 -2.767 -3.689 1.00 32.01 C ATOM 1346 NH1 ARG B 49 3.440 -3.216 -4.556 1.00 31.31 N ATOM 1347 NH2 ARG B 49 1.991 -1.573 -3.868 1.00 54.53 N ATOM 0 H ARG B 49 -2.455 -4.393 -1.176 1.00 14.23 H new ATOM 0 HA ARG B 49 -1.084 -6.926 -1.942 1.00 70.41 H new ATOM 0 HB2 ARG B 49 0.155 -4.512 -0.764 1.00 12.53 H new ATOM 0 HB3 ARG B 49 0.666 -6.110 -0.258 1.00 12.53 H new ATOM 0 HG2 ARG B 49 1.278 -6.739 -2.490 1.00 13.55 H new ATOM 0 HG3 ARG B 49 0.450 -5.361 -3.188 1.00 13.55 H new ATOM 0 HD2 ARG B 49 2.871 -5.000 -1.393 1.00 70.11 H new ATOM 0 HD3 ARG B 49 3.036 -5.318 -3.108 1.00 70.11 H new ATOM 0 HE ARG B 49 1.547 -2.984 -1.958 1.00 71.41 H new ATOM 0 HH11 ARG B 49 3.843 -4.145 -4.437 1.00 31.31 H new ATOM 0 HH12 ARG B 49 3.729 -2.631 -5.340 1.00 31.31 H new ATOM 0 HH21 ARG B 49 1.280 -1.235 -3.220 1.00 54.53 H new ATOM 0 HH22 ARG B 49 2.282 -0.992 -4.654 1.00 54.53 H new ATOM 1358 N VAL B 50 -2.226 -7.827 0.075 1.00 55.31 N ATOM 1359 CA VAL B 50 -2.913 -8.487 1.176 1.00 55.44 C ATOM 1360 C VAL B 50 -1.909 -9.204 2.077 1.00 61.32 C ATOM 1361 O VAL B 50 -0.989 -9.864 1.585 1.00 1.43 O ATOM 1362 CB VAL B 50 -3.960 -9.468 0.596 1.00 0.43 C ATOM 1363 CG1 VAL B 50 -5.198 -8.718 0.090 1.00 23.11 C ATOM 1364 CG2 VAL B 50 -3.430 -10.319 -0.571 1.00 43.15 C ATOM 0 H VAL B 50 -1.980 -8.477 -0.672 1.00 55.31 H new ATOM 0 HA VAL B 50 -3.427 -7.748 1.791 1.00 55.44 H new ATOM 0 HB VAL B 50 -4.208 -10.130 1.425 1.00 0.43 H new ATOM 0 HG11 VAL B 50 -5.917 -9.432 -0.312 1.00 23.11 H new ATOM 0 HG12 VAL B 50 -5.654 -8.170 0.915 1.00 23.11 H new ATOM 0 HG13 VAL B 50 -4.905 -8.018 -0.693 1.00 23.11 H new ATOM 0 HG21 VAL B 50 -4.219 -10.982 -0.925 1.00 43.15 H new ATOM 0 HG22 VAL B 50 -3.113 -9.665 -1.384 1.00 43.15 H new ATOM 0 HG23 VAL B 50 -2.582 -10.913 -0.232 1.00 43.15 H new ATOM 1374 N GLY B 51 -2.084 -9.075 3.395 1.00 43.00 N ATOM 1375 CA GLY B 51 -1.226 -9.706 4.398 1.00 12.41 C ATOM 1376 C GLY B 51 -1.320 -11.218 4.254 1.00 51.03 C ATOM 1377 O GLY B 51 -2.432 -11.718 4.052 1.00 12.31 O ATOM 0 H GLY B 51 -2.838 -8.520 3.800 1.00 43.00 H new ATOM 0 HA2 GLY B 51 -0.194 -9.380 4.269 1.00 12.41 H new ATOM 0 HA3 GLY B 51 -1.533 -9.404 5.399 1.00 12.41 H new ATOM 1381 N ASN B 52 -0.185 -11.918 4.283 1.00 44.43 N ATOM 1382 CA ASN B 52 -0.079 -13.371 4.146 1.00 24.31 C ATOM 1383 C ASN B 52 0.532 -14.041 5.380 1.00 64.44 C ATOM 1384 O ASN B 52 0.314 -15.241 5.580 1.00 11.10 O ATOM 1385 CB ASN B 52 0.675 -13.759 2.856 1.00 43.32 C ATOM 1386 CG ASN B 52 2.184 -13.505 2.884 1.00 52.34 C ATOM 1387 OD1 ASN B 52 2.915 -14.063 3.689 1.00 71.12 O ATOM 1388 ND2 ASN B 52 2.682 -12.690 1.968 1.00 10.43 N ATOM 0 H ASN B 52 0.723 -11.469 4.408 1.00 44.43 H new ATOM 0 HA ASN B 52 -1.097 -13.751 4.066 1.00 24.31 H new ATOM 0 HB2 ASN B 52 0.504 -14.817 2.658 1.00 43.32 H new ATOM 0 HB3 ASN B 52 0.245 -13.205 2.022 1.00 43.32 H new ATOM 0 HD21 ASN B 52 3.687 -12.521 1.928 1.00 10.43 H new ATOM 0 HD22 ASN B 52 2.061 -12.231 1.302 1.00 10.43 H new ATOM 1394 N THR B 53 1.307 -13.326 6.197 1.00 34.43 N ATOM 1395 CA THR B 53 1.878 -13.929 7.399 1.00 12.52 C ATOM 1396 C THR B 53 0.718 -14.147 8.384 1.00 71.53 C ATOM 1397 O THR B 53 -0.307 -13.461 8.297 1.00 63.40 O ATOM 1398 CB THR B 53 3.002 -13.045 7.987 1.00 30.22 C ATOM 1399 OG1 THR B 53 2.551 -11.737 8.281 1.00 4.44 O ATOM 1400 CG2 THR B 53 4.183 -12.962 7.018 1.00 12.42 C ATOM 0 H THR B 53 1.550 -12.346 6.052 1.00 34.43 H new ATOM 0 HA THR B 53 2.352 -14.884 7.174 1.00 12.52 H new ATOM 0 HB THR B 53 3.318 -13.515 8.918 1.00 30.22 H new ATOM 0 HG1 THR B 53 2.050 -11.384 7.516 1.00 4.44 H new ATOM 0 HG21 THR B 53 4.964 -12.336 7.449 1.00 12.42 H new ATOM 0 HG22 THR B 53 4.578 -13.962 6.839 1.00 12.42 H new ATOM 0 HG23 THR B 53 3.850 -12.529 6.075 1.00 12.42 H new ATOM 1408 N PRO B 54 0.855 -15.053 9.365 1.00 63.05 N ATOM 1409 CA PRO B 54 -0.200 -15.299 10.345 1.00 43.31 C ATOM 1410 C PRO B 54 -0.502 -14.066 11.210 1.00 20.30 C ATOM 1411 O PRO B 54 -1.500 -14.053 11.928 1.00 53.02 O ATOM 1412 CB PRO B 54 0.289 -16.488 11.170 1.00 51.35 C ATOM 1413 CG PRO B 54 1.808 -16.461 11.003 1.00 55.24 C ATOM 1414 CD PRO B 54 1.990 -15.934 9.588 1.00 34.11 C ATOM 0 HA PRO B 54 -1.151 -15.516 9.859 1.00 43.31 H new ATOM 0 HB2 PRO B 54 0.002 -16.391 12.217 1.00 51.35 H new ATOM 0 HB3 PRO B 54 -0.135 -17.425 10.808 1.00 51.35 H new ATOM 0 HG2 PRO B 54 2.283 -15.812 11.739 1.00 55.24 H new ATOM 0 HG3 PRO B 54 2.244 -17.453 11.123 1.00 55.24 H new ATOM 0 HD2 PRO B 54 2.933 -15.397 9.485 1.00 34.11 H new ATOM 0 HD3 PRO B 54 2.006 -16.748 8.863 1.00 34.11 H new ATOM 1419 N GLU B 55 0.337 -13.035 11.140 1.00 31.31 N ATOM 1420 CA GLU B 55 0.210 -11.792 11.872 1.00 61.23 C ATOM 1421 C GLU B 55 -0.458 -10.736 10.978 1.00 53.14 C ATOM 1422 O GLU B 55 -1.394 -10.077 11.423 1.00 31.32 O ATOM 1423 CB GLU B 55 1.621 -11.416 12.336 1.00 21.25 C ATOM 1424 CG GLU B 55 1.662 -10.251 13.330 1.00 42.03 C ATOM 1425 CD GLU B 55 1.596 -8.896 12.634 1.00 33.54 C ATOM 1426 OE1 GLU B 55 2.449 -8.633 11.756 1.00 64.22 O ATOM 1427 OE2 GLU B 55 0.737 -8.059 12.990 1.00 60.22 O ATOM 0 H GLU B 55 1.162 -13.052 10.540 1.00 31.31 H new ATOM 0 HA GLU B 55 -0.432 -11.875 12.749 1.00 61.23 H new ATOM 0 HB2 GLU B 55 2.085 -12.288 12.796 1.00 21.25 H new ATOM 0 HB3 GLU B 55 2.222 -11.157 11.464 1.00 21.25 H new ATOM 0 HG2 GLU B 55 0.828 -10.341 14.026 1.00 42.03 H new ATOM 0 HG3 GLU B 55 2.577 -10.311 13.919 1.00 42.03 H new ATOM 1432 N THR B 56 -0.043 -10.593 9.711 1.00 4.03 N ATOM 1433 CA THR B 56 -0.627 -9.602 8.800 1.00 1.32 C ATOM 1434 C THR B 56 -1.996 -10.020 8.259 1.00 41.42 C ATOM 1435 O THR B 56 -2.739 -9.156 7.773 1.00 51.42 O ATOM 1436 CB THR B 56 0.320 -9.303 7.629 1.00 1.14 C ATOM 1437 OG1 THR B 56 0.613 -10.488 6.927 1.00 73.23 O ATOM 1438 CG2 THR B 56 1.627 -8.660 8.087 1.00 32.31 C ATOM 0 H THR B 56 0.699 -11.155 9.294 1.00 4.03 H new ATOM 0 HA THR B 56 -0.771 -8.699 9.393 1.00 1.32 H new ATOM 0 HB THR B 56 -0.195 -8.595 6.980 1.00 1.14 H new ATOM 0 HG1 THR B 56 1.191 -10.281 6.163 1.00 73.23 H new ATOM 0 HG21 THR B 56 2.261 -8.469 7.221 1.00 32.31 H new ATOM 0 HG22 THR B 56 1.412 -7.719 8.594 1.00 32.31 H new ATOM 0 HG23 THR B 56 2.142 -9.332 8.773 1.00 32.31 H new ATOM 1446 N ARG B 57 -2.350 -11.316 8.313 1.00 65.31 N ATOM 1447 CA ARG B 57 -3.649 -11.784 7.827 1.00 34.43 C ATOM 1448 C ARG B 57 -4.723 -10.939 8.507 1.00 25.44 C ATOM 1449 O ARG B 57 -4.612 -10.622 9.693 1.00 4.45 O ATOM 1450 CB ARG B 57 -3.844 -13.301 8.012 1.00 3.25 C ATOM 1451 CG ARG B 57 -3.924 -13.761 9.477 1.00 62.12 C ATOM 1452 CD ARG B 57 -4.144 -15.274 9.621 1.00 14.43 C ATOM 1453 NE ARG B 57 -5.474 -15.673 9.127 1.00 53.43 N ATOM 1454 CZ ARG B 57 -6.314 -16.565 9.663 1.00 44.22 C ATOM 1455 NH1 ARG B 57 -5.970 -17.352 10.671 1.00 13.40 N ATOM 1456 NH2 ARG B 57 -7.535 -16.683 9.169 1.00 41.43 N ATOM 0 H ARG B 57 -1.752 -12.052 8.688 1.00 65.31 H new ATOM 0 HA ARG B 57 -3.718 -11.650 6.747 1.00 34.43 H new ATOM 0 HB2 ARG B 57 -4.758 -13.602 7.500 1.00 3.25 H new ATOM 0 HB3 ARG B 57 -3.020 -13.822 7.526 1.00 3.25 H new ATOM 0 HG2 ARG B 57 -3.003 -13.483 9.990 1.00 62.12 H new ATOM 0 HG3 ARG B 57 -4.738 -13.232 9.974 1.00 62.12 H new ATOM 0 HD2 ARG B 57 -3.373 -15.810 9.068 1.00 14.43 H new ATOM 0 HD3 ARG B 57 -4.042 -15.560 10.668 1.00 14.43 H new ATOM 0 HE ARG B 57 -5.792 -15.214 8.274 1.00 53.43 H new ATOM 0 HH11 ARG B 57 -5.033 -17.291 11.069 1.00 13.40 H new ATOM 0 HH12 ARG B 57 -6.642 -18.019 11.050 1.00 13.40 H new ATOM 0 HH21 ARG B 57 -7.828 -16.097 8.387 1.00 41.43 H new ATOM 0 HH22 ARG B 57 -8.184 -17.360 9.570 1.00 41.43 H new ATOM 1467 N GLY B 58 -5.747 -10.554 7.759 1.00 43.54 N ATOM 1468 CA GLY B 58 -6.817 -9.718 8.278 1.00 13.43 C ATOM 1469 C GLY B 58 -6.639 -8.258 7.856 1.00 62.24 C ATOM 1470 O GLY B 58 -7.540 -7.454 8.107 1.00 55.23 O ATOM 0 H GLY B 58 -5.858 -10.812 6.778 1.00 43.54 H new ATOM 0 HA2 GLY B 58 -7.777 -10.088 7.918 1.00 13.43 H new ATOM 0 HA3 GLY B 58 -6.837 -9.784 9.366 1.00 13.43 H new ATOM 1474 N THR B 59 -5.523 -7.894 7.209 1.00 12.25 N ATOM 1475 CA THR B 59 -5.254 -6.528 6.771 1.00 53.12 C ATOM 1476 C THR B 59 -4.765 -6.500 5.318 1.00 4.44 C ATOM 1477 O THR B 59 -4.310 -7.515 4.762 1.00 54.14 O ATOM 1478 CB THR B 59 -4.250 -5.842 7.715 1.00 42.11 C ATOM 1479 OG1 THR B 59 -2.967 -6.417 7.583 1.00 52.13 O ATOM 1480 CG2 THR B 59 -4.667 -5.866 9.189 1.00 63.23 C ATOM 0 H THR B 59 -4.778 -8.550 6.975 1.00 12.25 H new ATOM 0 HA THR B 59 -6.188 -5.968 6.812 1.00 53.12 H new ATOM 0 HB THR B 59 -4.231 -4.796 7.408 1.00 42.11 H new ATOM 0 HG1 THR B 59 -3.034 -7.391 7.673 1.00 52.13 H new ATOM 0 HG21 THR B 59 -3.909 -5.364 9.790 1.00 63.23 H new ATOM 0 HG22 THR B 59 -5.621 -5.352 9.306 1.00 63.23 H new ATOM 0 HG23 THR B 59 -4.768 -6.899 9.522 1.00 63.23 H new ATOM 1488 N ALA B 60 -4.891 -5.330 4.686 1.00 64.54 N ATOM 1489 CA ALA B 60 -4.483 -5.056 3.318 1.00 40.13 C ATOM 1490 C ALA B 60 -4.340 -3.543 3.149 1.00 4.11 C ATOM 1491 O ALA B 60 -4.854 -2.774 3.965 1.00 64.54 O ATOM 1492 CB ALA B 60 -5.527 -5.585 2.325 1.00 21.24 C ATOM 0 H ALA B 60 -5.300 -4.514 5.141 1.00 64.54 H new ATOM 0 HA ALA B 60 -3.535 -5.555 3.117 1.00 40.13 H new ATOM 0 HB1 ALA B 60 -5.203 -5.370 1.307 1.00 21.24 H new ATOM 0 HB2 ALA B 60 -5.636 -6.662 2.451 1.00 21.24 H new ATOM 0 HB3 ALA B 60 -6.485 -5.099 2.511 1.00 21.24 H new ATOM 1498 N TYR B 61 -3.680 -3.129 2.070 1.00 44.34 N ATOM 1499 CA TYR B 61 -3.449 -1.735 1.721 1.00 5.43 C ATOM 1500 C TYR B 61 -3.829 -1.578 0.255 1.00 33.23 C ATOM 1501 O TYR B 61 -3.326 -2.325 -0.595 1.00 64.12 O ATOM 1502 CB TYR B 61 -1.970 -1.351 1.894 1.00 55.35 C ATOM 1503 CG TYR B 61 -1.433 -1.237 3.310 1.00 41.10 C ATOM 1504 CD1 TYR B 61 -1.099 -2.393 4.040 1.00 41.52 C ATOM 1505 CD2 TYR B 61 -1.174 0.031 3.866 1.00 24.01 C ATOM 1506 CE1 TYR B 61 -0.485 -2.289 5.299 1.00 21.20 C ATOM 1507 CE2 TYR B 61 -0.586 0.148 5.136 1.00 20.33 C ATOM 1508 CZ TYR B 61 -0.237 -1.016 5.854 1.00 61.31 C ATOM 1509 OH TYR B 61 0.302 -0.921 7.095 1.00 3.01 O ATOM 0 H TYR B 61 -3.279 -3.779 1.394 1.00 44.34 H new ATOM 0 HA TYR B 61 -4.039 -1.090 2.372 1.00 5.43 H new ATOM 0 HB2 TYR B 61 -1.367 -2.089 1.365 1.00 55.35 H new ATOM 0 HB3 TYR B 61 -1.811 -0.394 1.397 1.00 55.35 H new ATOM 0 HD1 TYR B 61 -1.317 -3.368 3.629 1.00 41.52 H new ATOM 0 HD2 TYR B 61 -1.430 0.921 3.311 1.00 24.01 H new ATOM 0 HE1 TYR B 61 -0.204 -3.180 5.840 1.00 21.20 H new ATOM 0 HE2 TYR B 61 -0.402 1.124 5.561 1.00 20.33 H new ATOM 0 HH TYR B 61 0.411 0.023 7.333 1.00 3.01 H new ATOM 1518 N VAL B 62 -4.718 -0.635 -0.041 1.00 73.21 N ATOM 1519 CA VAL B 62 -5.204 -0.328 -1.378 1.00 64.45 C ATOM 1520 C VAL B 62 -4.590 1.017 -1.754 1.00 22.04 C ATOM 1521 O VAL B 62 -4.366 1.870 -0.891 1.00 12.33 O ATOM 1522 CB VAL B 62 -6.752 -0.290 -1.376 1.00 32.03 C ATOM 1523 CG1 VAL B 62 -7.356 -0.036 -2.767 1.00 51.01 C ATOM 1524 CG2 VAL B 62 -7.357 -1.594 -0.818 1.00 52.55 C ATOM 0 H VAL B 62 -5.135 -0.041 0.675 1.00 73.21 H new ATOM 0 HA VAL B 62 -4.918 -1.083 -2.110 1.00 64.45 H new ATOM 0 HB VAL B 62 -7.007 0.549 -0.729 1.00 32.03 H new ATOM 0 HG11 VAL B 62 -8.443 -0.022 -2.694 1.00 51.01 H new ATOM 0 HG12 VAL B 62 -7.005 0.924 -3.146 1.00 51.01 H new ATOM 0 HG13 VAL B 62 -7.048 -0.830 -3.448 1.00 51.01 H new ATOM 0 HG21 VAL B 62 -8.445 -1.526 -0.834 1.00 52.55 H new ATOM 0 HG22 VAL B 62 -7.037 -2.436 -1.432 1.00 52.55 H new ATOM 0 HG23 VAL B 62 -7.018 -1.743 0.207 1.00 52.55 H new ATOM 1534 N VAL B 63 -4.283 1.212 -3.031 1.00 73.40 N ATOM 1535 CA VAL B 63 -3.712 2.449 -3.536 1.00 42.23 C ATOM 1536 C VAL B 63 -4.629 2.860 -4.674 1.00 32.32 C ATOM 1537 O VAL B 63 -4.955 2.040 -5.540 1.00 0.42 O ATOM 1538 CB VAL B 63 -2.238 2.286 -3.956 1.00 1.22 C ATOM 1539 CG1 VAL B 63 -1.624 3.671 -4.218 1.00 61.41 C ATOM 1540 CG2 VAL B 63 -1.420 1.565 -2.873 1.00 53.12 C ATOM 0 H VAL B 63 -4.427 0.505 -3.752 1.00 73.40 H new ATOM 0 HA VAL B 63 -3.666 3.226 -2.773 1.00 42.23 H new ATOM 0 HB VAL B 63 -2.210 1.682 -4.863 1.00 1.22 H new ATOM 0 HG11 VAL B 63 -0.582 3.557 -4.515 1.00 61.41 H new ATOM 0 HG12 VAL B 63 -2.176 4.169 -5.015 1.00 61.41 H new ATOM 0 HG13 VAL B 63 -1.679 4.271 -3.310 1.00 61.41 H new ATOM 0 HG21 VAL B 63 -0.386 1.467 -3.203 1.00 53.12 H new ATOM 0 HG22 VAL B 63 -1.453 2.141 -1.948 1.00 53.12 H new ATOM 0 HG23 VAL B 63 -1.840 0.574 -2.699 1.00 53.12 H new ATOM 1550 N TYR B 64 -5.050 4.117 -4.659 1.00 32.34 N ATOM 1551 CA TYR B 64 -5.940 4.675 -5.659 1.00 74.45 C ATOM 1552 C TYR B 64 -5.105 5.413 -6.687 1.00 13.21 C ATOM 1553 O TYR B 64 -4.085 6.025 -6.355 1.00 21.32 O ATOM 1554 CB TYR B 64 -6.901 5.643 -4.965 1.00 61.32 C ATOM 1555 CG TYR B 64 -8.070 4.928 -4.324 1.00 33.34 C ATOM 1556 CD1 TYR B 64 -7.882 4.140 -3.168 1.00 40.44 C ATOM 1557 CD2 TYR B 64 -9.333 4.980 -4.942 1.00 62.15 C ATOM 1558 CE1 TYR B 64 -8.927 3.327 -2.697 1.00 73.02 C ATOM 1559 CE2 TYR B 64 -10.391 4.198 -4.454 1.00 43.25 C ATOM 1560 CZ TYR B 64 -10.175 3.332 -3.361 1.00 4.13 C ATOM 1561 OH TYR B 64 -11.127 2.421 -3.024 1.00 63.41 O ATOM 0 H TYR B 64 -4.777 4.786 -3.939 1.00 32.34 H new ATOM 0 HA TYR B 64 -6.512 3.891 -6.155 1.00 74.45 H new ATOM 0 HB2 TYR B 64 -6.360 6.206 -4.204 1.00 61.32 H new ATOM 0 HB3 TYR B 64 -7.273 6.365 -5.691 1.00 61.32 H new ATOM 0 HD1 TYR B 64 -6.937 4.162 -2.646 1.00 40.44 H new ATOM 0 HD2 TYR B 64 -9.489 5.624 -5.795 1.00 62.15 H new ATOM 0 HE1 TYR B 64 -8.777 2.700 -1.830 1.00 73.02 H new ATOM 0 HE2 TYR B 64 -11.367 4.259 -4.913 1.00 43.25 H new ATOM 0 HH TYR B 64 -11.925 2.563 -3.575 1.00 63.41 H new ATOM 1570 N GLU B 65 -5.537 5.354 -7.944 1.00 41.34 N ATOM 1571 CA GLU B 65 -4.830 6.034 -9.021 1.00 13.24 C ATOM 1572 C GLU B 65 -5.014 7.543 -8.900 1.00 64.10 C ATOM 1573 O GLU B 65 -4.111 8.298 -9.266 1.00 34.23 O ATOM 1574 CB GLU B 65 -5.361 5.588 -10.387 1.00 40.03 C ATOM 1575 CG GLU B 65 -4.905 4.171 -10.739 1.00 61.51 C ATOM 1576 CD GLU B 65 -5.133 3.861 -12.213 1.00 44.40 C ATOM 1577 OE1 GLU B 65 -4.518 4.567 -13.043 1.00 75.14 O ATOM 1578 OE2 GLU B 65 -5.916 2.942 -12.533 1.00 41.33 O ATOM 0 H GLU B 65 -6.370 4.844 -8.239 1.00 41.34 H new ATOM 0 HA GLU B 65 -3.774 5.777 -8.940 1.00 13.24 H new ATOM 0 HB2 GLU B 65 -6.450 5.629 -10.385 1.00 40.03 H new ATOM 0 HB3 GLU B 65 -5.017 6.282 -11.155 1.00 40.03 H new ATOM 0 HG2 GLU B 65 -3.847 4.059 -10.502 1.00 61.51 H new ATOM 0 HG3 GLU B 65 -5.447 3.451 -10.127 1.00 61.51 H new ATOM 1583 N ASP B 66 -6.153 7.980 -8.365 1.00 72.33 N ATOM 1584 CA ASP B 66 -6.500 9.378 -8.203 1.00 74.12 C ATOM 1585 C ASP B 66 -6.750 9.671 -6.734 1.00 74.41 C ATOM 1586 O ASP B 66 -7.539 8.966 -6.102 1.00 4.32 O ATOM 1587 CB ASP B 66 -7.726 9.700 -9.070 1.00 44.04 C ATOM 1588 CG ASP B 66 -7.575 11.085 -9.678 1.00 72.12 C ATOM 1589 OD1 ASP B 66 -7.173 12.010 -8.939 1.00 2.05 O ATOM 1590 OD2 ASP B 66 -7.702 11.218 -10.916 1.00 22.32 O ATOM 0 H ASP B 66 -6.877 7.347 -8.024 1.00 72.33 H new ATOM 0 HA ASP B 66 -5.679 10.015 -8.533 1.00 74.12 H new ATOM 0 HB2 ASP B 66 -7.831 8.955 -9.859 1.00 44.04 H new ATOM 0 HB3 ASP B 66 -8.632 9.654 -8.466 1.00 44.04 H new ATOM 1594 N ILE B 67 -6.075 10.676 -6.168 1.00 23.22 N ATOM 1595 CA ILE B 67 -6.244 11.028 -4.758 1.00 60.32 C ATOM 1596 C ILE B 67 -7.703 11.365 -4.431 1.00 71.15 C ATOM 1597 O ILE B 67 -8.169 11.054 -3.341 1.00 3.15 O ATOM 1598 CB ILE B 67 -5.248 12.140 -4.351 1.00 73.03 C ATOM 1599 CG1 ILE B 67 -5.315 12.390 -2.828 1.00 41.43 C ATOM 1600 CG2 ILE B 67 -5.448 13.455 -5.123 1.00 60.02 C ATOM 1601 CD1 ILE B 67 -4.075 13.094 -2.267 1.00 72.14 C ATOM 0 H ILE B 67 -5.405 11.261 -6.668 1.00 23.22 H new ATOM 0 HA ILE B 67 -6.003 10.156 -4.149 1.00 60.32 H new ATOM 0 HB ILE B 67 -4.256 11.778 -4.619 1.00 73.03 H new ATOM 0 HG12 ILE B 67 -6.196 12.992 -2.605 1.00 41.43 H new ATOM 0 HG13 ILE B 67 -5.443 11.436 -2.317 1.00 41.43 H new ATOM 0 HG21 ILE B 67 -4.716 14.189 -4.787 1.00 60.02 H new ATOM 0 HG22 ILE B 67 -5.317 13.274 -6.190 1.00 60.02 H new ATOM 0 HG23 ILE B 67 -6.453 13.835 -4.940 1.00 60.02 H new ATOM 0 HD11 ILE B 67 -4.192 13.236 -1.193 1.00 72.14 H new ATOM 0 HD12 ILE B 67 -3.192 12.483 -2.458 1.00 72.14 H new ATOM 0 HD13 ILE B 67 -3.957 14.064 -2.751 1.00 72.14 H new ATOM 1612 N PHE B 68 -8.437 11.986 -5.358 1.00 45.01 N ATOM 1613 CA PHE B 68 -9.833 12.361 -5.156 1.00 65.03 C ATOM 1614 C PHE B 68 -10.691 11.121 -4.908 1.00 54.44 C ATOM 1615 O PHE B 68 -11.470 11.101 -3.956 1.00 73.11 O ATOM 1616 CB PHE B 68 -10.311 13.240 -6.323 1.00 3.11 C ATOM 1617 CG PHE B 68 -9.629 14.600 -6.297 1.00 25.44 C ATOM 1618 CD1 PHE B 68 -8.326 14.753 -6.815 1.00 72.34 C ATOM 1619 CD2 PHE B 68 -10.242 15.687 -5.643 1.00 10.01 C ATOM 1620 CE1 PHE B 68 -7.627 15.959 -6.634 1.00 0.02 C ATOM 1621 CE2 PHE B 68 -9.551 16.902 -5.483 1.00 64.32 C ATOM 1622 CZ PHE B 68 -8.237 17.033 -5.964 1.00 2.14 C ATOM 0 H PHE B 68 -8.074 12.243 -6.276 1.00 45.01 H new ATOM 0 HA PHE B 68 -9.936 12.968 -4.257 1.00 65.03 H new ATOM 0 HB2 PHE B 68 -10.099 12.741 -7.269 1.00 3.11 H new ATOM 0 HB3 PHE B 68 -11.392 13.370 -6.266 1.00 3.11 H new ATOM 0 HD1 PHE B 68 -7.863 13.939 -7.353 1.00 72.34 H new ATOM 0 HD2 PHE B 68 -11.248 15.587 -5.262 1.00 10.01 H new ATOM 0 HE1 PHE B 68 -6.620 16.060 -7.010 1.00 0.02 H new ATOM 0 HE2 PHE B 68 -10.031 17.735 -4.990 1.00 64.32 H new ATOM 0 HZ PHE B 68 -7.697 17.957 -5.819 1.00 2.14 H new ATOM 1631 N ASP B 69 -10.530 10.062 -5.707 1.00 1.55 N ATOM 1632 CA ASP B 69 -11.314 8.843 -5.502 1.00 73.12 C ATOM 1633 C ASP B 69 -10.907 8.170 -4.193 1.00 62.40 C ATOM 1634 O ASP B 69 -11.746 7.539 -3.552 1.00 14.05 O ATOM 1635 CB ASP B 69 -11.189 7.876 -6.685 1.00 13.24 C ATOM 1636 CG ASP B 69 -12.104 8.287 -7.835 1.00 4.14 C ATOM 1637 OD1 ASP B 69 -13.306 8.557 -7.591 1.00 64.44 O ATOM 1638 OD2 ASP B 69 -11.630 8.297 -8.989 1.00 13.41 O ATOM 0 H ASP B 69 -9.876 10.024 -6.488 1.00 1.55 H new ATOM 0 HA ASP B 69 -12.364 9.127 -5.437 1.00 73.12 H new ATOM 0 HB2 ASP B 69 -10.155 7.852 -7.030 1.00 13.24 H new ATOM 0 HB3 ASP B 69 -11.440 6.866 -6.360 1.00 13.24 H new ATOM 1642 N ALA B 70 -9.643 8.323 -3.775 1.00 63.00 N ATOM 1643 CA ALA B 70 -9.144 7.761 -2.526 1.00 1.23 C ATOM 1644 C ALA B 70 -9.929 8.401 -1.378 1.00 0.41 C ATOM 1645 O ALA B 70 -10.469 7.701 -0.521 1.00 3.31 O ATOM 1646 CB ALA B 70 -7.638 8.027 -2.378 1.00 12.12 C ATOM 0 H ALA B 70 -8.940 8.843 -4.300 1.00 63.00 H new ATOM 0 HA ALA B 70 -9.282 6.680 -2.514 1.00 1.23 H new ATOM 0 HB1 ALA B 70 -7.284 7.600 -1.440 1.00 12.12 H new ATOM 0 HB2 ALA B 70 -7.104 7.568 -3.210 1.00 12.12 H new ATOM 0 HB3 ALA B 70 -7.457 9.102 -2.379 1.00 12.12 H new ATOM 1652 N LYS B 71 -10.027 9.739 -1.394 1.00 51.04 N ATOM 1653 CA LYS B 71 -10.755 10.494 -0.381 1.00 31.22 C ATOM 1654 C LYS B 71 -12.214 10.058 -0.390 1.00 61.41 C ATOM 1655 O LYS B 71 -12.810 9.878 0.674 1.00 45.14 O ATOM 1656 CB LYS B 71 -10.704 12.012 -0.634 1.00 1.23 C ATOM 1657 CG LYS B 71 -9.323 12.615 -0.945 1.00 21.23 C ATOM 1658 CD LYS B 71 -9.096 13.955 -0.244 1.00 31.13 C ATOM 1659 CE LYS B 71 -10.077 15.030 -0.717 1.00 11.34 C ATOM 1660 NZ LYS B 71 -10.385 16.004 0.347 1.00 1.42 N ATOM 0 H LYS B 71 -9.601 10.322 -2.114 1.00 51.04 H new ATOM 0 HA LYS B 71 -10.282 10.292 0.580 1.00 31.22 H new ATOM 0 HB2 LYS B 71 -11.370 12.241 -1.466 1.00 1.23 H new ATOM 0 HB3 LYS B 71 -11.106 12.517 0.244 1.00 1.23 H new ATOM 0 HG2 LYS B 71 -8.547 11.913 -0.640 1.00 21.23 H new ATOM 0 HG3 LYS B 71 -9.224 12.751 -2.022 1.00 21.23 H new ATOM 0 HD2 LYS B 71 -9.198 13.821 0.833 1.00 31.13 H new ATOM 0 HD3 LYS B 71 -8.076 14.291 -0.428 1.00 31.13 H new ATOM 0 HE2 LYS B 71 -9.656 15.553 -1.576 1.00 11.34 H new ATOM 0 HE3 LYS B 71 -10.999 14.556 -1.053 1.00 11.34 H new ATOM 0 HZ1 LYS B 71 -11.053 16.714 -0.015 1.00 1.42 H new ATOM 0 HZ2 LYS B 71 -10.811 15.510 1.157 1.00 1.42 H new ATOM 0 HZ3 LYS B 71 -9.509 16.475 0.650 1.00 1.42 H new ATOM 1670 N ASN B 72 -12.798 9.910 -1.583 1.00 31.25 N ATOM 1671 CA ASN B 72 -14.186 9.515 -1.766 1.00 41.21 C ATOM 1672 C ASN B 72 -14.470 8.193 -1.063 1.00 52.14 C ATOM 1673 O ASN B 72 -15.310 8.142 -0.163 1.00 14.33 O ATOM 1674 CB ASN B 72 -14.542 9.467 -3.254 1.00 23.20 C ATOM 1675 CG ASN B 72 -16.042 9.615 -3.382 1.00 24.24 C ATOM 1676 OD1 ASN B 72 -16.795 8.696 -3.085 1.00 4.34 O ATOM 1677 ND2 ASN B 72 -16.506 10.785 -3.770 1.00 75.41 N ATOM 0 H ASN B 72 -12.304 10.066 -2.462 1.00 31.25 H new ATOM 0 HA ASN B 72 -14.827 10.266 -1.305 1.00 41.21 H new ATOM 0 HB2 ASN B 72 -14.033 10.266 -3.793 1.00 23.20 H new ATOM 0 HB3 ASN B 72 -14.213 8.526 -3.694 1.00 23.20 H new ATOM 0 HD21 ASN B 72 -17.512 10.941 -3.828 1.00 75.41 H new ATOM 0 HD22 ASN B 72 -15.859 11.535 -4.012 1.00 75.41 H new ATOM 1683 N ALA B 73 -13.723 7.150 -1.438 1.00 13.23 N ATOM 1684 CA ALA B 73 -13.838 5.814 -0.872 1.00 44.42 C ATOM 1685 C ALA B 73 -13.574 5.852 0.638 1.00 64.54 C ATOM 1686 O ALA B 73 -14.196 5.100 1.374 1.00 61.41 O ATOM 1687 CB ALA B 73 -12.838 4.890 -1.563 1.00 31.44 C ATOM 0 H ALA B 73 -13.007 7.219 -2.161 1.00 13.23 H new ATOM 0 HA ALA B 73 -14.848 5.438 -1.032 1.00 44.42 H new ATOM 0 HB1 ALA B 73 -12.919 3.887 -1.143 1.00 31.44 H new ATOM 0 HB2 ALA B 73 -13.053 4.855 -2.631 1.00 31.44 H new ATOM 0 HB3 ALA B 73 -11.827 5.267 -1.409 1.00 31.44 H new ATOM 1693 N CYS B 74 -12.692 6.727 1.133 1.00 50.11 N ATOM 1694 CA CYS B 74 -12.410 6.818 2.556 1.00 34.12 C ATOM 1695 C CYS B 74 -13.712 7.123 3.313 1.00 35.34 C ATOM 1696 O CYS B 74 -13.971 6.502 4.343 1.00 23.34 O ATOM 1697 CB CYS B 74 -11.288 7.836 2.821 1.00 42.34 C ATOM 1698 SG CYS B 74 -10.631 7.589 4.503 1.00 63.11 S ATOM 0 H CYS B 74 -12.162 7.383 0.559 1.00 50.11 H new ATOM 0 HA CYS B 74 -12.037 5.865 2.931 1.00 34.12 H new ATOM 0 HB2 CYS B 74 -10.492 7.716 2.086 1.00 42.34 H new ATOM 0 HB3 CYS B 74 -11.670 8.851 2.713 1.00 42.34 H new ATOM 0 HG CYS B 74 -11.553 7.068 5.257 1.00 63.11 H new ATOM 1703 N ASP B 75 -14.510 8.107 2.884 1.00 51.43 N ATOM 1704 CA ASP B 75 -15.770 8.418 3.569 1.00 52.04 C ATOM 1705 C ASP B 75 -16.824 7.345 3.325 1.00 40.44 C ATOM 1706 O ASP B 75 -17.399 6.836 4.294 1.00 70.30 O ATOM 1707 CB ASP B 75 -16.335 9.815 3.247 1.00 11.53 C ATOM 1708 CG ASP B 75 -15.686 10.922 4.085 1.00 5.14 C ATOM 1709 OD1 ASP B 75 -14.440 11.069 4.136 1.00 51.51 O ATOM 1710 OD2 ASP B 75 -16.437 11.657 4.765 1.00 44.02 O ATOM 0 H ASP B 75 -14.310 8.696 2.075 1.00 51.43 H new ATOM 0 HA ASP B 75 -15.517 8.430 4.629 1.00 52.04 H new ATOM 0 HB2 ASP B 75 -16.183 10.029 2.189 1.00 11.53 H new ATOM 0 HB3 ASP B 75 -17.411 9.816 3.421 1.00 11.53 H new ATOM 1714 N HIS B 76 -17.026 6.943 2.066 1.00 61.42 N ATOM 1715 CA HIS B 76 -18.042 5.946 1.707 1.00 64.20 C ATOM 1716 C HIS B 76 -17.775 4.539 2.283 1.00 33.12 C ATOM 1717 O HIS B 76 -18.720 3.752 2.403 1.00 33.43 O ATOM 1718 CB HIS B 76 -18.225 5.923 0.171 1.00 73.21 C ATOM 1719 CG HIS B 76 -18.941 7.107 -0.448 1.00 50.30 C ATOM 1720 ND1 HIS B 76 -19.686 7.070 -1.609 1.00 10.20 N ATOM 1721 CD2 HIS B 76 -18.903 8.413 -0.031 1.00 5.01 C ATOM 1722 CE1 HIS B 76 -20.091 8.322 -1.882 1.00 75.40 C ATOM 1723 NE2 HIS B 76 -19.651 9.176 -0.938 1.00 42.00 N ATOM 0 H HIS B 76 -16.494 7.296 1.271 1.00 61.42 H new ATOM 0 HA HIS B 76 -18.976 6.255 2.176 1.00 64.20 H new ATOM 0 HB2 HIS B 76 -17.239 5.844 -0.288 1.00 73.21 H new ATOM 0 HB3 HIS B 76 -18.773 5.018 -0.093 1.00 73.21 H new ATOM 0 HD2 HIS B 76 -18.388 8.787 0.842 1.00 5.01 H new ATOM 0 HE1 HIS B 76 -20.686 8.604 -2.738 1.00 75.40 H new ATOM 0 HE2 HIS B 76 -19.827 10.180 -0.892 1.00 42.00 H new ATOM 1730 N LEU B 77 -16.552 4.218 2.727 1.00 14.11 N ATOM 1731 CA LEU B 77 -16.181 2.908 3.286 1.00 31.12 C ATOM 1732 C LEU B 77 -15.969 2.940 4.803 1.00 65.01 C ATOM 1733 O LEU B 77 -15.959 1.887 5.446 1.00 43.14 O ATOM 1734 CB LEU B 77 -14.898 2.436 2.580 1.00 3.23 C ATOM 1735 CG LEU B 77 -14.462 0.975 2.763 1.00 40.43 C ATOM 1736 CD1 LEU B 77 -15.573 -0.033 2.449 1.00 10.41 C ATOM 1737 CD2 LEU B 77 -13.274 0.748 1.818 1.00 21.10 C ATOM 0 H LEU B 77 -15.774 4.877 2.708 1.00 14.11 H new ATOM 0 HA LEU B 77 -17.005 2.216 3.113 1.00 31.12 H new ATOM 0 HB2 LEU B 77 -15.021 2.615 1.512 1.00 3.23 H new ATOM 0 HB3 LEU B 77 -14.080 3.072 2.917 1.00 3.23 H new ATOM 0 HG LEU B 77 -14.201 0.813 3.809 1.00 40.43 H new ATOM 0 HD11 LEU B 77 -15.198 -1.046 2.598 1.00 10.41 H new ATOM 0 HD12 LEU B 77 -16.421 0.142 3.112 1.00 10.41 H new ATOM 0 HD13 LEU B 77 -15.891 0.087 1.413 1.00 10.41 H new ATOM 0 HD21 LEU B 77 -12.926 -0.281 1.911 1.00 21.10 H new ATOM 0 HD22 LEU B 77 -13.586 0.934 0.790 1.00 21.10 H new ATOM 0 HD23 LEU B 77 -12.465 1.430 2.080 1.00 21.10 H new ATOM 1748 N SER B 78 -15.780 4.127 5.388 1.00 53.12 N ATOM 1749 CA SER B 78 -15.566 4.276 6.816 1.00 63.12 C ATOM 1750 C SER B 78 -16.818 3.847 7.591 1.00 21.10 C ATOM 1751 O SER B 78 -17.805 4.588 7.641 1.00 3.10 O ATOM 1752 CB SER B 78 -15.128 5.716 7.121 1.00 65.31 C ATOM 1753 OG SER B 78 -16.056 6.707 6.708 1.00 42.21 O ATOM 0 H SER B 78 -15.773 5.009 4.876 1.00 53.12 H new ATOM 0 HA SER B 78 -14.762 3.618 7.147 1.00 63.12 H new ATOM 0 HB2 SER B 78 -14.963 5.814 8.194 1.00 65.31 H new ATOM 0 HB3 SER B 78 -14.172 5.904 6.633 1.00 65.31 H new ATOM 0 HG SER B 78 -16.325 6.537 5.781 1.00 42.21 H new ATOM 1758 N GLY B 79 -16.783 2.675 8.228 1.00 13.13 N ATOM 1759 CA GLY B 79 -17.914 2.180 8.999 1.00 54.40 C ATOM 1760 C GLY B 79 -18.867 1.273 8.227 1.00 40.21 C ATOM 1761 O GLY B 79 -19.983 1.049 8.712 1.00 54.14 O ATOM 0 H GLY B 79 -15.976 2.051 8.222 1.00 13.13 H new ATOM 0 HA2 GLY B 79 -17.535 1.634 9.863 1.00 54.40 H new ATOM 0 HA3 GLY B 79 -18.476 3.032 9.381 1.00 54.40 H new ATOM 1765 N PHE B 80 -18.465 0.727 7.076 1.00 74.11 N ATOM 1766 CA PHE B 80 -19.320 -0.161 6.301 1.00 32.24 C ATOM 1767 C PHE B 80 -19.499 -1.483 7.070 1.00 3.41 C ATOM 1768 O PHE B 80 -18.539 -2.237 7.260 1.00 63.44 O ATOM 1769 CB PHE B 80 -18.739 -0.366 4.896 1.00 22.54 C ATOM 1770 CG PHE B 80 -19.696 -1.034 3.928 1.00 73.22 C ATOM 1771 CD1 PHE B 80 -20.907 -0.396 3.596 1.00 44.21 C ATOM 1772 CD2 PHE B 80 -19.376 -2.268 3.327 1.00 3.34 C ATOM 1773 CE1 PHE B 80 -21.799 -0.986 2.687 1.00 74.52 C ATOM 1774 CE2 PHE B 80 -20.266 -2.855 2.409 1.00 53.32 C ATOM 1775 CZ PHE B 80 -21.480 -2.220 2.097 1.00 3.14 C ATOM 0 H PHE B 80 -17.547 0.889 6.663 1.00 74.11 H new ATOM 0 HA PHE B 80 -20.306 0.283 6.167 1.00 32.24 H new ATOM 0 HB2 PHE B 80 -18.444 0.602 4.491 1.00 22.54 H new ATOM 0 HB3 PHE B 80 -17.834 -0.969 4.972 1.00 22.54 H new ATOM 0 HD1 PHE B 80 -21.151 0.555 4.045 1.00 44.21 H new ATOM 0 HD2 PHE B 80 -18.448 -2.763 3.571 1.00 3.34 H new ATOM 0 HE1 PHE B 80 -22.728 -0.493 2.442 1.00 74.52 H new ATOM 0 HE2 PHE B 80 -20.015 -3.796 1.943 1.00 53.32 H new ATOM 0 HZ PHE B 80 -22.168 -2.681 1.403 1.00 3.14 H new ATOM 1784 N ASN B 81 -20.715 -1.737 7.566 1.00 51.21 N ATOM 1785 CA ASN B 81 -21.055 -2.944 8.325 1.00 4.13 C ATOM 1786 C ASN B 81 -21.170 -4.135 7.386 1.00 52.32 C ATOM 1787 O ASN B 81 -22.008 -4.095 6.488 1.00 21.52 O ATOM 1788 CB ASN B 81 -22.407 -2.784 9.044 1.00 1.50 C ATOM 1789 CG ASN B 81 -22.924 -4.120 9.588 1.00 72.42 C ATOM 1790 OD1 ASN B 81 -22.460 -4.611 10.615 1.00 61.33 O ATOM 1791 ND2 ASN B 81 -23.893 -4.745 8.933 1.00 14.31 N ATOM 0 H ASN B 81 -21.502 -1.099 7.449 1.00 51.21 H new ATOM 0 HA ASN B 81 -20.264 -3.102 9.058 1.00 4.13 H new ATOM 0 HB2 ASN B 81 -22.301 -2.074 9.864 1.00 1.50 H new ATOM 0 HB3 ASN B 81 -23.139 -2.365 8.353 1.00 1.50 H new ATOM 0 HD21 ASN B 81 -24.253 -5.633 9.281 1.00 14.31 H new ATOM 0 HD22 ASN B 81 -24.278 -4.337 8.081 1.00 14.31 H new ATOM 1797 N VAL B 82 -20.366 -5.177 7.572 1.00 11.12 N ATOM 1798 CA VAL B 82 -20.395 -6.402 6.768 1.00 11.44 C ATOM 1799 C VAL B 82 -19.950 -7.539 7.681 1.00 23.24 C ATOM 1800 O VAL B 82 -19.167 -7.310 8.608 1.00 11.14 O ATOM 1801 CB VAL B 82 -19.565 -6.314 5.470 1.00 65.34 C ATOM 1802 CG1 VAL B 82 -20.316 -5.560 4.369 1.00 4.03 C ATOM 1803 CG2 VAL B 82 -18.188 -5.672 5.653 1.00 1.12 C ATOM 0 H VAL B 82 -19.656 -5.197 8.304 1.00 11.12 H new ATOM 0 HA VAL B 82 -21.407 -6.577 6.403 1.00 11.44 H new ATOM 0 HB VAL B 82 -19.409 -7.352 5.177 1.00 65.34 H new ATOM 0 HG11 VAL B 82 -19.700 -5.519 3.471 1.00 4.03 H new ATOM 0 HG12 VAL B 82 -21.249 -6.077 4.145 1.00 4.03 H new ATOM 0 HG13 VAL B 82 -20.535 -4.547 4.706 1.00 4.03 H new ATOM 0 HG21 VAL B 82 -17.668 -5.647 4.695 1.00 1.12 H new ATOM 0 HG22 VAL B 82 -18.307 -4.655 6.027 1.00 1.12 H new ATOM 0 HG23 VAL B 82 -17.607 -6.255 6.367 1.00 1.12 H new ATOM 1813 N CYS B 83 -20.439 -8.758 7.445 1.00 74.53 N ATOM 1814 CA CYS B 83 -20.122 -9.950 8.234 1.00 71.42 C ATOM 1815 C CYS B 83 -20.335 -9.737 9.746 1.00 22.23 C ATOM 1816 O CYS B 83 -19.587 -10.295 10.555 1.00 23.41 O ATOM 1817 CB CYS B 83 -18.683 -10.396 7.948 1.00 14.35 C ATOM 1818 SG CYS B 83 -18.300 -10.439 6.175 1.00 25.41 S ATOM 0 H CYS B 83 -21.084 -8.948 6.678 1.00 74.53 H new ATOM 0 HA CYS B 83 -20.815 -10.735 7.931 1.00 71.42 H new ATOM 0 HB2 CYS B 83 -17.991 -9.718 8.448 1.00 14.35 H new ATOM 0 HB3 CYS B 83 -18.523 -11.387 8.374 1.00 14.35 H new ATOM 0 HG CYS B 83 -17.264 -11.198 5.973 1.00 25.41 H new ATOM 1823 N ASN B 84 -21.318 -8.908 10.123 1.00 71.44 N ATOM 1824 CA ASN B 84 -21.659 -8.555 11.506 1.00 41.11 C ATOM 1825 C ASN B 84 -20.447 -7.962 12.252 1.00 72.42 C ATOM 1826 O ASN B 84 -20.289 -8.130 13.460 1.00 23.53 O ATOM 1827 CB ASN B 84 -22.335 -9.739 12.228 1.00 4.44 C ATOM 1828 CG ASN B 84 -23.069 -9.314 13.499 1.00 63.22 C ATOM 1829 OD1 ASN B 84 -23.420 -8.150 13.689 1.00 42.51 O ATOM 1830 ND2 ASN B 84 -23.406 -10.248 14.370 1.00 44.12 N ATOM 0 H ASN B 84 -21.922 -8.446 9.443 1.00 71.44 H new ATOM 0 HA ASN B 84 -22.402 -7.757 11.494 1.00 41.11 H new ATOM 0 HB2 ASN B 84 -23.040 -10.218 11.549 1.00 4.44 H new ATOM 0 HB3 ASN B 84 -21.580 -10.484 12.481 1.00 4.44 H new ATOM 0 HD21 ASN B 84 -23.954 -10.003 15.194 1.00 44.12 H new ATOM 0 HD22 ASN B 84 -23.118 -11.215 14.218 1.00 44.12 H new ATOM 1836 N ARG B 85 -19.564 -7.284 11.511 1.00 52.32 N ATOM 1837 CA ARG B 85 -18.337 -6.634 11.957 1.00 2.11 C ATOM 1838 C ARG B 85 -18.266 -5.254 11.302 1.00 32.54 C ATOM 1839 O ARG B 85 -18.979 -4.992 10.328 1.00 33.31 O ATOM 1840 CB ARG B 85 -17.132 -7.497 11.529 1.00 62.41 C ATOM 1841 CG ARG B 85 -16.963 -8.816 12.292 1.00 32.13 C ATOM 1842 CD ARG B 85 -16.477 -8.611 13.728 1.00 2.24 C ATOM 1843 NE ARG B 85 -16.186 -9.903 14.368 1.00 43.25 N ATOM 1844 CZ ARG B 85 -15.453 -10.081 15.473 1.00 54.15 C ATOM 1845 NH1 ARG B 85 -14.923 -9.054 16.126 1.00 24.05 N ATOM 1846 NH2 ARG B 85 -15.250 -11.299 15.949 1.00 40.32 N ATOM 0 H ARG B 85 -19.704 -7.169 10.507 1.00 52.32 H new ATOM 0 HA ARG B 85 -18.322 -6.524 13.041 1.00 2.11 H new ATOM 0 HB2 ARG B 85 -17.227 -7.721 10.467 1.00 62.41 H new ATOM 0 HB3 ARG B 85 -16.223 -6.908 11.651 1.00 62.41 H new ATOM 0 HG2 ARG B 85 -17.915 -9.346 12.308 1.00 32.13 H new ATOM 0 HG3 ARG B 85 -16.254 -9.450 11.760 1.00 32.13 H new ATOM 0 HD2 ARG B 85 -15.582 -7.989 13.729 1.00 2.24 H new ATOM 0 HD3 ARG B 85 -17.236 -8.078 14.301 1.00 2.24 H new ATOM 0 HE ARG B 85 -16.578 -10.737 13.931 1.00 43.25 H new ATOM 0 HH11 ARG B 85 -15.071 -8.103 15.787 1.00 24.05 H new ATOM 0 HH12 ARG B 85 -14.368 -9.216 16.966 1.00 24.05 H new ATOM 0 HH21 ARG B 85 -15.653 -12.106 15.473 1.00 40.32 H new ATOM 0 HH22 ARG B 85 -14.691 -11.431 16.792 1.00 40.32 H new ATOM 1857 N TYR B 86 -17.357 -4.403 11.781 1.00 61.03 N ATOM 1858 CA TYR B 86 -17.162 -3.049 11.282 1.00 3.33 C ATOM 1859 C TYR B 86 -15.783 -2.896 10.647 1.00 63.43 C ATOM 1860 O TYR B 86 -14.775 -3.244 11.270 1.00 2.53 O ATOM 1861 CB TYR B 86 -17.361 -2.041 12.431 1.00 61.35 C ATOM 1862 CG TYR B 86 -16.308 -2.084 13.520 1.00 2.14 C ATOM 1863 CD1 TYR B 86 -16.392 -3.021 14.568 1.00 63.33 C ATOM 1864 CD2 TYR B 86 -15.223 -1.189 13.466 1.00 4.12 C ATOM 1865 CE1 TYR B 86 -15.368 -3.092 15.529 1.00 74.31 C ATOM 1866 CE2 TYR B 86 -14.214 -1.243 14.438 1.00 44.22 C ATOM 1867 CZ TYR B 86 -14.260 -2.226 15.445 1.00 24.24 C ATOM 1868 OH TYR B 86 -13.168 -2.398 16.238 1.00 14.33 O ATOM 0 H TYR B 86 -16.724 -4.645 12.543 1.00 61.03 H new ATOM 0 HA TYR B 86 -17.901 -2.846 10.507 1.00 3.33 H new ATOM 0 HB2 TYR B 86 -17.384 -1.036 12.010 1.00 61.35 H new ATOM 0 HB3 TYR B 86 -18.336 -2.220 12.884 1.00 61.35 H new ATOM 0 HD1 TYR B 86 -17.242 -3.684 14.633 1.00 63.33 H new ATOM 0 HD2 TYR B 86 -15.168 -0.458 12.673 1.00 4.12 H new ATOM 0 HE1 TYR B 86 -15.431 -3.811 16.332 1.00 74.31 H new ATOM 0 HE2 TYR B 86 -13.402 -0.531 14.414 1.00 44.22 H new ATOM 0 HH TYR B 86 -12.505 -1.705 16.037 1.00 14.33 H new ATOM 1877 N LEU B 87 -15.725 -2.464 9.384 1.00 23.25 N ATOM 1878 CA LEU B 87 -14.441 -2.262 8.712 1.00 23.51 C ATOM 1879 C LEU B 87 -13.867 -0.941 9.217 1.00 4.52 C ATOM 1880 O LEU B 87 -14.604 -0.068 9.680 1.00 52.30 O ATOM 1881 CB LEU B 87 -14.596 -2.213 7.182 1.00 4.14 C ATOM 1882 CG LEU B 87 -15.097 -3.538 6.582 1.00 72.44 C ATOM 1883 CD1 LEU B 87 -15.712 -3.292 5.207 1.00 34.12 C ATOM 1884 CD2 LEU B 87 -13.946 -4.548 6.470 1.00 2.54 C ATOM 0 H LEU B 87 -16.543 -2.250 8.813 1.00 23.25 H new ATOM 0 HA LEU B 87 -13.778 -3.098 8.937 1.00 23.51 H new ATOM 0 HB2 LEU B 87 -15.292 -1.416 6.919 1.00 4.14 H new ATOM 0 HB3 LEU B 87 -13.636 -1.959 6.734 1.00 4.14 H new ATOM 0 HG LEU B 87 -15.859 -3.951 7.243 1.00 72.44 H new ATOM 0 HD11 LEU B 87 -16.063 -4.236 4.791 1.00 34.12 H new ATOM 0 HD12 LEU B 87 -16.551 -2.603 5.302 1.00 34.12 H new ATOM 0 HD13 LEU B 87 -14.961 -2.861 4.545 1.00 34.12 H new ATOM 0 HD21 LEU B 87 -14.319 -5.479 6.044 1.00 2.54 H new ATOM 0 HD22 LEU B 87 -13.166 -4.141 5.826 1.00 2.54 H new ATOM 0 HD23 LEU B 87 -13.534 -4.742 7.460 1.00 2.54 H new ATOM 1895 N VAL B 88 -12.550 -0.790 9.136 1.00 14.13 N ATOM 1896 CA VAL B 88 -11.840 0.409 9.562 1.00 71.53 C ATOM 1897 C VAL B 88 -10.869 0.756 8.443 1.00 53.31 C ATOM 1898 O VAL B 88 -10.259 -0.148 7.871 1.00 0.22 O ATOM 1899 CB VAL B 88 -11.130 0.154 10.904 1.00 32.33 C ATOM 1900 CG1 VAL B 88 -10.298 1.354 11.365 1.00 42.03 C ATOM 1901 CG2 VAL B 88 -12.131 -0.177 12.013 1.00 15.41 C ATOM 0 H VAL B 88 -11.934 -1.513 8.765 1.00 14.13 H new ATOM 0 HA VAL B 88 -12.515 1.247 9.734 1.00 71.53 H new ATOM 0 HB VAL B 88 -10.468 -0.694 10.726 1.00 32.33 H new ATOM 0 HG11 VAL B 88 -9.819 1.121 12.316 1.00 42.03 H new ATOM 0 HG12 VAL B 88 -9.535 1.576 10.619 1.00 42.03 H new ATOM 0 HG13 VAL B 88 -10.947 2.221 11.489 1.00 42.03 H new ATOM 0 HG21 VAL B 88 -11.596 -0.351 12.946 1.00 15.41 H new ATOM 0 HG22 VAL B 88 -12.821 0.657 12.141 1.00 15.41 H new ATOM 0 HG23 VAL B 88 -12.690 -1.073 11.743 1.00 15.41 H new ATOM 1911 N VAL B 89 -10.730 2.049 8.154 1.00 31.52 N ATOM 1912 CA VAL B 89 -9.861 2.600 7.122 1.00 14.22 C ATOM 1913 C VAL B 89 -8.865 3.543 7.818 1.00 62.32 C ATOM 1914 O VAL B 89 -9.154 4.049 8.909 1.00 2.21 O ATOM 1915 CB VAL B 89 -10.738 3.305 6.053 1.00 31.01 C ATOM 1916 CG1 VAL B 89 -9.907 3.799 4.858 1.00 64.12 C ATOM 1917 CG2 VAL B 89 -11.843 2.382 5.504 1.00 52.43 C ATOM 0 H VAL B 89 -11.245 2.772 8.657 1.00 31.52 H new ATOM 0 HA VAL B 89 -9.290 1.834 6.597 1.00 14.22 H new ATOM 0 HB VAL B 89 -11.188 4.153 6.569 1.00 31.01 H new ATOM 0 HG11 VAL B 89 -10.562 4.286 4.136 1.00 64.12 H new ATOM 0 HG12 VAL B 89 -9.158 4.510 5.205 1.00 64.12 H new ATOM 0 HG13 VAL B 89 -9.411 2.952 4.385 1.00 64.12 H new ATOM 0 HG21 VAL B 89 -12.430 2.920 4.760 1.00 52.43 H new ATOM 0 HG22 VAL B 89 -11.389 1.505 5.043 1.00 52.43 H new ATOM 0 HG23 VAL B 89 -12.493 2.067 6.320 1.00 52.43 H new ATOM 1927 N LEU B 90 -7.678 3.752 7.235 1.00 52.24 N ATOM 1928 CA LEU B 90 -6.628 4.625 7.744 1.00 63.23 C ATOM 1929 C LEU B 90 -5.719 5.040 6.569 1.00 1.14 C ATOM 1930 O LEU B 90 -5.812 4.457 5.485 1.00 51.10 O ATOM 1931 CB LEU B 90 -5.878 3.879 8.864 1.00 23.13 C ATOM 1932 CG LEU B 90 -4.775 4.681 9.570 1.00 30.50 C ATOM 1933 CD1 LEU B 90 -5.256 6.034 10.113 1.00 62.13 C ATOM 1934 CD2 LEU B 90 -4.186 3.861 10.720 1.00 22.45 C ATOM 0 H LEU B 90 -7.418 3.296 6.360 1.00 52.24 H new ATOM 0 HA LEU B 90 -7.028 5.542 8.176 1.00 63.23 H new ATOM 0 HB2 LEU B 90 -6.604 3.557 9.611 1.00 23.13 H new ATOM 0 HB3 LEU B 90 -5.434 2.978 8.442 1.00 23.13 H new ATOM 0 HG LEU B 90 -4.018 4.888 8.814 1.00 30.50 H new ATOM 0 HD11 LEU B 90 -4.426 6.547 10.599 1.00 62.13 H new ATOM 0 HD12 LEU B 90 -5.628 6.645 9.290 1.00 62.13 H new ATOM 0 HD13 LEU B 90 -6.056 5.872 10.836 1.00 62.13 H new ATOM 0 HD21 LEU B 90 -3.405 4.438 11.215 1.00 22.45 H new ATOM 0 HD22 LEU B 90 -4.972 3.624 11.437 1.00 22.45 H new ATOM 0 HD23 LEU B 90 -3.762 2.937 10.328 1.00 22.45 H new ATOM 1945 N TYR B 91 -4.881 6.060 6.779 1.00 51.24 N ATOM 1946 CA TYR B 91 -3.913 6.655 5.856 1.00 4.22 C ATOM 1947 C TYR B 91 -2.490 6.189 6.186 1.00 61.41 C ATOM 1948 O TYR B 91 -2.244 5.618 7.254 1.00 1.41 O ATOM 1949 CB TYR B 91 -3.894 8.188 6.018 1.00 64.55 C ATOM 1950 CG TYR B 91 -5.194 8.961 5.924 1.00 3.35 C ATOM 1951 CD1 TYR B 91 -6.268 8.517 5.130 1.00 63.12 C ATOM 1952 CD2 TYR B 91 -5.287 10.193 6.599 1.00 54.04 C ATOM 1953 CE1 TYR B 91 -7.434 9.292 5.027 1.00 54.14 C ATOM 1954 CE2 TYR B 91 -6.449 10.973 6.504 1.00 75.33 C ATOM 1955 CZ TYR B 91 -7.527 10.522 5.715 1.00 63.03 C ATOM 1956 OH TYR B 91 -8.658 11.270 5.622 1.00 64.10 O ATOM 0 H TYR B 91 -4.863 6.532 7.683 1.00 51.24 H new ATOM 0 HA TYR B 91 -4.208 6.355 4.851 1.00 4.22 H new ATOM 0 HB2 TYR B 91 -3.451 8.409 6.989 1.00 64.55 H new ATOM 0 HB3 TYR B 91 -3.219 8.589 5.261 1.00 64.55 H new ATOM 0 HD1 TYR B 91 -6.195 7.579 4.599 1.00 63.12 H new ATOM 0 HD2 TYR B 91 -4.456 10.541 7.195 1.00 54.04 H new ATOM 0 HE1 TYR B 91 -8.260 8.948 4.422 1.00 54.14 H new ATOM 0 HE2 TYR B 91 -6.517 11.913 7.032 1.00 75.33 H new ATOM 0 HH TYR B 91 -8.556 12.085 6.157 1.00 64.10 H new ATOM 1965 N TYR B 92 -1.552 6.392 5.260 1.00 54.43 N ATOM 1966 CA TYR B 92 -0.142 6.058 5.432 1.00 10.33 C ATOM 1967 C TYR B 92 0.641 7.375 5.416 1.00 21.23 C ATOM 1968 O TYR B 92 0.125 8.419 4.998 1.00 25.21 O ATOM 1969 CB TYR B 92 0.337 5.037 4.387 1.00 30.02 C ATOM 1970 CG TYR B 92 1.822 4.735 4.398 1.00 74.31 C ATOM 1971 CD1 TYR B 92 2.467 4.344 5.590 1.00 75.04 C ATOM 1972 CD2 TYR B 92 2.566 4.852 3.211 1.00 12.11 C ATOM 1973 CE1 TYR B 92 3.857 4.142 5.610 1.00 62.30 C ATOM 1974 CE2 TYR B 92 3.944 4.589 3.214 1.00 55.11 C ATOM 1975 CZ TYR B 92 4.601 4.254 4.417 1.00 11.02 C ATOM 1976 OH TYR B 92 5.936 4.012 4.408 1.00 55.41 O ATOM 0 H TYR B 92 -1.759 6.803 4.350 1.00 54.43 H new ATOM 0 HA TYR B 92 0.028 5.557 6.385 1.00 10.33 H new ATOM 0 HB2 TYR B 92 -0.206 4.105 4.541 1.00 30.02 H new ATOM 0 HB3 TYR B 92 0.067 5.404 3.397 1.00 30.02 H new ATOM 0 HD1 TYR B 92 1.890 4.199 6.491 1.00 75.04 H new ATOM 0 HD2 TYR B 92 2.076 5.145 2.295 1.00 12.11 H new ATOM 0 HE1 TYR B 92 4.355 3.901 6.537 1.00 62.30 H new ATOM 0 HE2 TYR B 92 4.504 4.643 2.292 1.00 55.11 H new ATOM 0 HH TYR B 92 6.122 3.227 3.852 1.00 55.41 H new ATOM 1985 N ASN B 93 1.860 7.334 5.943 1.00 4.00 N ATOM 1986 CA ASN B 93 2.759 8.469 6.028 1.00 52.41 C ATOM 1987 C ASN B 93 3.292 8.855 4.663 1.00 1.44 C ATOM 1988 O ASN B 93 3.996 9.885 4.622 1.00 74.02 O ATOM 1989 CB ASN B 93 3.925 8.131 6.968 1.00 42.23 C ATOM 1990 CG ASN B 93 3.541 8.227 8.428 1.00 13.43 C ATOM 1991 OD1 ASN B 93 3.450 7.214 9.119 1.00 3.14 O ATOM 1992 ND2 ASN B 93 3.321 9.435 8.917 1.00 24.44 N ATOM 0 H ASN B 93 2.258 6.480 6.334 1.00 4.00 H new ATOM 0 HA ASN B 93 2.201 9.318 6.422 1.00 52.41 H new ATOM 0 HB2 ASN B 93 4.278 7.122 6.755 1.00 42.23 H new ATOM 0 HB3 ASN B 93 4.755 8.808 6.769 1.00 42.23 H new ATOM 0 HD21 ASN B 93 3.066 9.549 9.898 1.00 24.44 H new ATOM 0 HD22 ASN B 93 3.406 10.253 8.313 1.00 24.44 H new