USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 727 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: A 41 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 112 SER OG : rot 180:sc= -0.268 USER MOD Set 2.1: A 83 ASN : amide:sc= -0.247 X(o=-3,f=-3.2) USER MOD Set 2.2: A 100 HIS : no HD1:sc= -2.8 K(o=-3,f=-5.3) USER MOD Set 3.1: A 97 TYR OH : rot 180:sc= -0.606 USER MOD Set 3.2: A 101 LYS NZ :NH3+ 159:sc= 0.818 (180deg=0.181!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot -150:sc= 0.188 USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -0.0839 (180deg=-0.446) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 22:sc= -2.17 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0116) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.055 USER MOD Single : A 93 MET CE :methyl -167:sc= -0.454 (180deg=-1.13) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -113:sc= 0.356 USER MOD Single : A 111 TYR OH : rot 176:sc= 0.108 USER MOD Single : A 115 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.3) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -20.133 -4.830 -36.014 1.00 15.41 N ATOM 472 CA ASN A 29 -21.298 -3.961 -36.144 1.00 73.22 C ATOM 473 C ASN A 29 -21.967 -3.741 -34.791 1.00 61.14 C ATOM 474 O ASN A 29 -22.702 -4.601 -34.303 1.00 1.32 O ATOM 475 CB ASN A 29 -22.302 -4.564 -37.130 1.00 22.04 C ATOM 476 CG ASN A 29 -21.627 -5.159 -38.350 1.00 42.14 C ATOM 477 OD1 ASN A 29 -21.855 -6.318 -38.696 1.00 73.42 O ATOM 478 ND2 ASN A 29 -20.792 -4.364 -39.011 1.00 70.22 N ATOM 0 HA ASN A 29 -20.960 -2.996 -36.523 1.00 73.22 H new ATOM 0 HB2 ASN A 29 -22.883 -5.337 -36.626 1.00 22.04 H new ATOM 0 HB3 ASN A 29 -23.004 -3.793 -37.446 1.00 22.04 H new ATOM 0 HD21 ASN A 29 -20.310 -4.708 -39.841 1.00 70.22 H new ATOM 0 HD22 ASN A 29 -20.633 -3.410 -38.688 1.00 70.22 H new ATOM 485 N ARG A 30 -21.708 -2.584 -34.190 1.00 62.15 N ATOM 486 CA ARG A 30 -22.283 -2.252 -32.893 1.00 14.52 C ATOM 487 C ARG A 30 -22.886 -0.849 -32.910 1.00 35.14 C ATOM 488 O ARG A 30 -22.371 0.050 -33.575 1.00 33.21 O ATOM 489 CB ARG A 30 -21.219 -2.347 -31.798 1.00 60.25 C ATOM 490 CG ARG A 30 -20.069 -1.371 -31.980 1.00 41.12 C ATOM 491 CD ARG A 30 -20.353 -0.042 -31.298 1.00 24.42 C ATOM 492 NE ARG A 30 -19.148 0.541 -30.713 1.00 42.52 N ATOM 493 CZ ARG A 30 -19.136 1.695 -30.055 1.00 25.23 C ATOM 494 NH1 ARG A 30 -20.256 2.385 -29.898 1.00 53.23 N ATOM 495 NH2 ARG A 30 -18.000 2.160 -29.551 1.00 3.11 N ATOM 0 H ARG A 30 -21.104 -1.861 -34.581 1.00 62.15 H new ATOM 0 HA ARG A 30 -23.076 -2.969 -32.681 1.00 14.52 H new ATOM 0 HB2 ARG A 30 -21.688 -2.166 -30.831 1.00 60.25 H new ATOM 0 HB3 ARG A 30 -20.823 -3.362 -31.775 1.00 60.25 H new ATOM 0 HG2 ARG A 30 -19.156 -1.803 -31.571 1.00 41.12 H new ATOM 0 HG3 ARG A 30 -19.895 -1.206 -33.043 1.00 41.12 H new ATOM 0 HD2 ARG A 30 -20.778 0.654 -32.022 1.00 24.42 H new ATOM 0 HD3 ARG A 30 -21.101 -0.187 -30.518 1.00 24.42 H new ATOM 0 HE ARG A 30 -18.268 0.035 -30.815 1.00 42.52 H new ATOM 0 HH11 ARG A 30 -21.132 2.031 -30.283 1.00 53.23 H new ATOM 0 HH12 ARG A 30 -20.243 3.271 -29.392 1.00 53.23 H new ATOM 0 HH21 ARG A 30 -17.136 1.631 -29.669 1.00 3.11 H new ATOM 0 HH22 ARG A 30 -17.991 3.046 -29.046 1.00 3.11 H new ATOM 509 N ILE A 31 -23.979 -0.672 -32.175 1.00 52.21 N ATOM 510 CA ILE A 31 -24.651 0.620 -32.105 1.00 63.03 C ATOM 511 C ILE A 31 -24.704 1.135 -30.671 1.00 1.34 C ATOM 512 O ILE A 31 -25.268 0.502 -29.778 1.00 34.23 O ATOM 513 CB ILE A 31 -26.083 0.541 -32.663 1.00 73.34 C ATOM 514 CG1 ILE A 31 -26.703 -0.823 -32.347 1.00 21.10 C ATOM 515 CG2 ILE A 31 -26.082 0.792 -34.164 1.00 25.14 C ATOM 516 CD1 ILE A 31 -28.172 -0.913 -32.692 1.00 71.34 C ATOM 0 H ILE A 31 -24.418 -1.407 -31.620 1.00 52.21 H new ATOM 0 HA ILE A 31 -24.070 1.311 -32.716 1.00 63.03 H new ATOM 0 HB ILE A 31 -26.686 1.313 -32.185 1.00 73.34 H new ATOM 0 HG12 ILE A 31 -26.162 -1.595 -32.894 1.00 21.10 H new ATOM 0 HG13 ILE A 31 -26.574 -1.035 -31.286 1.00 21.10 H new ATOM 0 HG21 ILE A 31 -27.102 0.733 -34.543 1.00 25.14 H new ATOM 0 HG22 ILE A 31 -25.676 1.783 -34.367 1.00 25.14 H new ATOM 0 HG23 ILE A 31 -25.467 0.040 -34.658 1.00 25.14 H new ATOM 0 HD11 ILE A 31 -28.544 -1.906 -32.442 1.00 71.34 H new ATOM 0 HD12 ILE A 31 -28.725 -0.164 -32.125 1.00 71.34 H new ATOM 0 HD13 ILE A 31 -28.307 -0.733 -33.759 1.00 71.34 H new ATOM 528 N PRO A 32 -24.104 2.314 -30.442 1.00 75.33 N ATOM 529 CA PRO A 32 -24.072 2.941 -29.119 1.00 3.22 C ATOM 530 C PRO A 32 -25.444 3.443 -28.682 1.00 31.14 C ATOM 531 O PRO A 32 -25.825 4.576 -28.978 1.00 52.02 O ATOM 532 CB PRO A 32 -23.108 4.115 -29.307 1.00 2.45 C ATOM 533 CG PRO A 32 -23.177 4.433 -30.760 1.00 61.22 C ATOM 534 CD PRO A 32 -23.413 3.122 -31.460 1.00 12.52 C ATOM 0 HA PRO A 32 -23.766 2.240 -28.343 1.00 3.22 H new ATOM 0 HB2 PRO A 32 -23.403 4.971 -28.700 1.00 2.45 H new ATOM 0 HB3 PRO A 32 -22.095 3.847 -29.008 1.00 2.45 H new ATOM 0 HG2 PRO A 32 -23.983 5.137 -30.968 1.00 61.22 H new ATOM 0 HG3 PRO A 32 -22.252 4.897 -31.102 1.00 61.22 H new ATOM 0 HD2 PRO A 32 -24.022 3.248 -32.355 1.00 12.52 H new ATOM 0 HD3 PRO A 32 -22.477 2.659 -31.774 1.00 12.52 H new ATOM 542 N VAL A 33 -26.182 2.595 -27.974 1.00 74.53 N ATOM 543 CA VAL A 33 -27.512 2.953 -27.493 1.00 65.54 C ATOM 544 C VAL A 33 -27.447 3.546 -26.091 1.00 34.33 C ATOM 545 O VAL A 33 -26.843 2.966 -25.188 1.00 22.04 O ATOM 546 CB VAL A 33 -28.451 1.733 -27.482 1.00 35.43 C ATOM 547 CG1 VAL A 33 -28.737 1.264 -28.900 1.00 60.12 C ATOM 548 CG2 VAL A 33 -27.853 0.607 -26.650 1.00 44.45 C ATOM 0 H VAL A 33 -25.882 1.654 -27.720 1.00 74.53 H new ATOM 0 HA VAL A 33 -27.908 3.700 -28.181 1.00 65.54 H new ATOM 0 HB VAL A 33 -29.396 2.029 -27.026 1.00 35.43 H new ATOM 0 HG11 VAL A 33 -29.402 0.401 -28.871 1.00 60.12 H new ATOM 0 HG12 VAL A 33 -29.212 2.069 -29.461 1.00 60.12 H new ATOM 0 HG13 VAL A 33 -27.802 0.985 -29.386 1.00 60.12 H new ATOM 0 HG21 VAL A 33 -28.530 -0.247 -26.653 1.00 44.45 H new ATOM 0 HG22 VAL A 33 -26.894 0.311 -27.074 1.00 44.45 H new ATOM 0 HG23 VAL A 33 -27.706 0.950 -25.626 1.00 44.45 H new ATOM 558 N ILE A 34 -28.076 4.702 -25.915 1.00 11.23 N ATOM 559 CA ILE A 34 -28.092 5.374 -24.621 1.00 74.13 C ATOM 560 C ILE A 34 -29.376 5.064 -23.857 1.00 65.21 C ATOM 561 O ILE A 34 -30.457 5.523 -24.228 1.00 60.40 O ATOM 562 CB ILE A 34 -27.956 6.900 -24.777 1.00 14.04 C ATOM 563 CG1 ILE A 34 -26.616 7.251 -25.425 1.00 31.03 C ATOM 564 CG2 ILE A 34 -28.092 7.584 -23.424 1.00 52.33 C ATOM 565 CD1 ILE A 34 -26.411 8.736 -25.624 1.00 11.32 C ATOM 0 H ILE A 34 -28.582 5.194 -26.652 1.00 11.23 H new ATOM 0 HA ILE A 34 -27.237 4.998 -24.059 1.00 74.13 H new ATOM 0 HB ILE A 34 -28.756 7.257 -25.426 1.00 14.04 H new ATOM 0 HG12 ILE A 34 -25.809 6.861 -24.805 1.00 31.03 H new ATOM 0 HG13 ILE A 34 -26.547 6.750 -26.391 1.00 31.03 H new ATOM 0 HG21 ILE A 34 -27.994 8.662 -23.550 1.00 52.33 H new ATOM 0 HG22 ILE A 34 -29.069 7.356 -22.998 1.00 52.33 H new ATOM 0 HG23 ILE A 34 -27.311 7.224 -22.754 1.00 52.33 H new ATOM 0 HD11 ILE A 34 -25.440 8.910 -26.088 1.00 11.32 H new ATOM 0 HD12 ILE A 34 -27.197 9.129 -26.269 1.00 11.32 H new ATOM 0 HD13 ILE A 34 -26.448 9.241 -24.659 1.00 11.32 H new ATOM 577 N CYS A 35 -29.248 4.285 -22.788 1.00 42.32 N ATOM 578 CA CYS A 35 -30.397 3.914 -21.971 1.00 2.53 C ATOM 579 C CYS A 35 -30.774 5.045 -21.019 1.00 40.34 C ATOM 580 O CYS A 35 -29.924 5.584 -20.312 1.00 1.44 O ATOM 581 CB CYS A 35 -30.096 2.644 -21.177 1.00 72.53 C ATOM 582 SG CYS A 35 -28.665 2.780 -20.080 1.00 71.35 S ATOM 0 H CYS A 35 -28.360 3.899 -22.467 1.00 42.32 H new ATOM 0 HA CYS A 35 -31.239 3.726 -22.637 1.00 2.53 H new ATOM 0 HB2 CYS A 35 -30.972 2.384 -20.583 1.00 72.53 H new ATOM 0 HB3 CYS A 35 -29.929 1.823 -21.875 1.00 72.53 H new ATOM 0 HG CYS A 35 -28.105 1.614 -19.951 1.00 71.35 H new ATOM 588 N GLU A 36 -32.056 5.401 -21.008 1.00 42.33 N ATOM 589 CA GLU A 36 -32.545 6.470 -20.145 1.00 24.50 C ATOM 590 C GLU A 36 -33.332 5.901 -18.968 1.00 43.24 C ATOM 591 O GLU A 36 -33.586 4.698 -18.898 1.00 45.11 O ATOM 592 CB GLU A 36 -33.423 7.437 -20.942 1.00 22.44 C ATOM 593 CG GLU A 36 -32.957 8.881 -20.870 1.00 41.11 C ATOM 594 CD GLU A 36 -34.102 9.870 -20.984 1.00 13.01 C ATOM 595 OE1 GLU A 36 -35.138 9.655 -20.322 1.00 54.45 O ATOM 596 OE2 GLU A 36 -33.961 10.857 -21.735 1.00 64.00 O ATOM 0 H GLU A 36 -32.774 4.965 -21.587 1.00 42.33 H new ATOM 0 HA GLU A 36 -31.683 7.012 -19.755 1.00 24.50 H new ATOM 0 HB2 GLU A 36 -33.442 7.122 -21.985 1.00 22.44 H new ATOM 0 HB3 GLU A 36 -34.446 7.375 -20.572 1.00 22.44 H new ATOM 0 HG2 GLU A 36 -32.434 9.044 -19.928 1.00 41.11 H new ATOM 0 HG3 GLU A 36 -32.240 9.068 -21.669 1.00 41.11 H new ATOM 603 N LYS A 37 -33.716 6.775 -18.044 1.00 24.32 N ATOM 604 CA LYS A 37 -34.475 6.363 -16.870 1.00 11.04 C ATOM 605 C LYS A 37 -35.756 7.180 -16.736 1.00 22.22 C ATOM 606 O LYS A 37 -35.712 8.384 -16.484 1.00 42.33 O ATOM 607 CB LYS A 37 -33.624 6.519 -15.606 1.00 61.13 C ATOM 608 CG LYS A 37 -32.863 7.832 -15.543 1.00 74.31 C ATOM 609 CD LYS A 37 -32.484 8.189 -14.115 1.00 54.35 C ATOM 610 CE LYS A 37 -31.118 7.631 -13.746 1.00 54.23 C ATOM 611 NZ LYS A 37 -30.025 8.282 -14.519 1.00 54.54 N ATOM 0 H LYS A 37 -33.514 7.774 -18.086 1.00 24.32 H new ATOM 0 HA LYS A 37 -34.745 5.314 -16.993 1.00 11.04 H new ATOM 0 HB2 LYS A 37 -34.270 6.441 -14.731 1.00 61.13 H new ATOM 0 HB3 LYS A 37 -32.914 5.694 -15.552 1.00 61.13 H new ATOM 0 HG2 LYS A 37 -31.962 7.761 -16.153 1.00 74.31 H new ATOM 0 HG3 LYS A 37 -33.474 8.628 -15.968 1.00 74.31 H new ATOM 0 HD2 LYS A 37 -32.479 9.273 -13.999 1.00 54.35 H new ATOM 0 HD3 LYS A 37 -33.236 7.798 -13.429 1.00 54.35 H new ATOM 0 HE2 LYS A 37 -30.943 7.774 -12.680 1.00 54.23 H new ATOM 0 HE3 LYS A 37 -31.103 6.557 -13.930 1.00 54.23 H new ATOM 0 HZ1 LYS A 37 -29.128 8.184 -14.002 1.00 54.54 H new ATOM 0 HZ2 LYS A 37 -29.939 7.826 -15.450 1.00 54.54 H new ATOM 0 HZ3 LYS A 37 -30.243 9.291 -14.646 1.00 54.54 H new ATOM 625 N ALA A 38 -36.896 6.516 -16.903 1.00 3.42 N ATOM 626 CA ALA A 38 -38.189 7.181 -16.797 1.00 62.42 C ATOM 627 C ALA A 38 -38.620 7.315 -15.341 1.00 70.31 C ATOM 628 O ALA A 38 -38.715 6.322 -14.618 1.00 44.05 O ATOM 629 CB ALA A 38 -39.239 6.420 -17.593 1.00 32.24 C ATOM 0 H ALA A 38 -36.950 5.519 -17.112 1.00 3.42 H new ATOM 0 HA ALA A 38 -38.090 8.184 -17.212 1.00 62.42 H new ATOM 0 HB1 ALA A 38 -40.200 6.927 -17.506 1.00 32.24 H new ATOM 0 HB2 ALA A 38 -38.943 6.381 -18.641 1.00 32.24 H new ATOM 0 HB3 ALA A 38 -39.327 5.406 -17.203 1.00 32.24 H new ATOM 635 N GLU A 39 -38.879 8.547 -14.916 1.00 4.15 N ATOM 636 CA GLU A 39 -39.297 8.810 -13.544 1.00 75.43 C ATOM 637 C GLU A 39 -40.742 8.370 -13.323 1.00 40.20 C ATOM 638 O GLU A 39 -41.209 8.279 -12.187 1.00 41.13 O ATOM 639 CB GLU A 39 -39.149 10.297 -13.217 1.00 53.51 C ATOM 640 CG GLU A 39 -37.705 10.757 -13.114 1.00 14.31 C ATOM 641 CD GLU A 39 -37.584 12.235 -12.800 1.00 54.34 C ATOM 642 OE1 GLU A 39 -37.716 12.604 -11.615 1.00 55.01 O ATOM 643 OE2 GLU A 39 -37.358 13.024 -13.742 1.00 75.05 O ATOM 0 H GLU A 39 -38.807 9.379 -15.502 1.00 4.15 H new ATOM 0 HA GLU A 39 -38.653 8.235 -12.878 1.00 75.43 H new ATOM 0 HB2 GLU A 39 -39.654 10.881 -13.986 1.00 53.51 H new ATOM 0 HB3 GLU A 39 -39.656 10.505 -12.275 1.00 53.51 H new ATOM 0 HG2 GLU A 39 -37.199 10.182 -12.338 1.00 14.31 H new ATOM 0 HG3 GLU A 39 -37.193 10.546 -14.053 1.00 14.31 H new ATOM 650 N LYS A 40 -41.446 8.100 -14.418 1.00 21.42 N ATOM 651 CA LYS A 40 -42.836 7.669 -14.346 1.00 55.32 C ATOM 652 C LYS A 40 -42.934 6.147 -14.299 1.00 42.50 C ATOM 653 O LYS A 40 -43.674 5.539 -15.073 1.00 21.03 O ATOM 654 CB LYS A 40 -43.620 8.204 -15.548 1.00 33.41 C ATOM 655 CG LYS A 40 -45.065 8.545 -15.228 1.00 4.45 C ATOM 656 CD LYS A 40 -45.636 9.539 -16.225 1.00 0.14 C ATOM 657 CE LYS A 40 -45.392 10.975 -15.783 1.00 53.05 C ATOM 658 NZ LYS A 40 -45.118 11.871 -16.940 1.00 41.32 N ATOM 0 H LYS A 40 -41.076 8.172 -15.366 1.00 21.42 H new ATOM 0 HA LYS A 40 -43.267 8.071 -13.429 1.00 55.32 H new ATOM 0 HB2 LYS A 40 -43.121 9.095 -15.929 1.00 33.41 H new ATOM 0 HB3 LYS A 40 -43.599 7.461 -16.345 1.00 33.41 H new ATOM 0 HG2 LYS A 40 -45.665 7.635 -15.236 1.00 4.45 H new ATOM 0 HG3 LYS A 40 -45.128 8.960 -14.222 1.00 4.45 H new ATOM 0 HD2 LYS A 40 -45.183 9.376 -17.203 1.00 0.14 H new ATOM 0 HD3 LYS A 40 -46.707 9.369 -16.338 1.00 0.14 H new ATOM 0 HE2 LYS A 40 -46.263 11.341 -15.238 1.00 53.05 H new ATOM 0 HE3 LYS A 40 -44.549 11.005 -15.093 1.00 53.05 H new ATOM 0 HZ1 LYS A 40 -44.957 12.840 -16.598 1.00 41.32 H new ATOM 0 HZ2 LYS A 40 -44.272 11.537 -17.445 1.00 41.32 H new ATOM 0 HZ3 LYS A 40 -45.933 11.863 -17.586 1.00 41.32 H new ATOM 672 N SER A 41 -42.183 5.539 -13.387 1.00 75.41 N ATOM 673 CA SER A 41 -42.183 4.088 -13.240 1.00 74.13 C ATOM 674 C SER A 41 -41.585 3.677 -11.899 1.00 0.52 C ATOM 675 O SER A 41 -40.941 4.480 -11.222 1.00 74.41 O ATOM 676 CB SER A 41 -41.399 3.439 -14.383 1.00 25.45 C ATOM 677 OG SER A 41 -41.706 2.060 -14.494 1.00 3.15 O ATOM 0 H SER A 41 -41.566 6.028 -12.738 1.00 75.41 H new ATOM 0 HA SER A 41 -43.217 3.744 -13.276 1.00 74.13 H new ATOM 0 HB2 SER A 41 -41.633 3.943 -15.321 1.00 25.45 H new ATOM 0 HB3 SER A 41 -40.330 3.564 -14.212 1.00 25.45 H new ATOM 0 HG SER A 41 -40.928 1.579 -14.845 1.00 3.15 H new ATOM 683 N ASP A 42 -41.802 2.423 -11.521 1.00 72.52 N ATOM 684 CA ASP A 42 -41.283 1.902 -10.260 1.00 43.33 C ATOM 685 C ASP A 42 -40.054 1.031 -10.497 1.00 64.20 C ATOM 686 O ASP A 42 -39.554 0.383 -9.576 1.00 60.15 O ATOM 687 CB ASP A 42 -42.363 1.098 -9.534 1.00 65.13 C ATOM 688 CG ASP A 42 -41.964 0.747 -8.114 1.00 31.32 C ATOM 689 OD1 ASP A 42 -41.492 1.648 -7.390 1.00 11.23 O ATOM 690 OD2 ASP A 42 -42.124 -0.430 -7.727 1.00 71.11 O ATOM 0 H ASP A 42 -42.334 1.747 -12.069 1.00 72.52 H new ATOM 0 HA ASP A 42 -40.991 2.748 -9.637 1.00 43.33 H new ATOM 0 HB2 ASP A 42 -43.290 1.672 -9.517 1.00 65.13 H new ATOM 0 HB3 ASP A 42 -42.565 0.182 -10.089 1.00 65.13 H new ATOM 695 N ILE A 43 -39.573 1.018 -11.736 1.00 54.11 N ATOM 696 CA ILE A 43 -38.403 0.226 -12.093 1.00 32.32 C ATOM 697 C ILE A 43 -37.126 0.855 -11.545 1.00 74.54 C ATOM 698 O ILE A 43 -36.968 2.075 -11.517 1.00 64.30 O ATOM 699 CB ILE A 43 -38.271 0.071 -13.619 1.00 53.32 C ATOM 700 CG1 ILE A 43 -38.839 -1.277 -14.067 1.00 71.35 C ATOM 701 CG2 ILE A 43 -36.816 0.206 -14.042 1.00 33.10 C ATOM 702 CD1 ILE A 43 -39.315 -1.286 -15.504 1.00 4.45 C ATOM 0 H ILE A 43 -39.976 1.547 -12.509 1.00 54.11 H new ATOM 0 HA ILE A 43 -38.541 -0.759 -11.647 1.00 32.32 H new ATOM 0 HB ILE A 43 -38.843 0.864 -14.101 1.00 53.32 H new ATOM 0 HG12 ILE A 43 -38.075 -2.044 -13.941 1.00 71.35 H new ATOM 0 HG13 ILE A 43 -39.671 -1.546 -13.416 1.00 71.35 H new ATOM 0 HG21 ILE A 43 -36.740 0.094 -15.124 1.00 33.10 H new ATOM 0 HG22 ILE A 43 -36.442 1.188 -13.752 1.00 33.10 H new ATOM 0 HG23 ILE A 43 -36.222 -0.567 -13.554 1.00 33.10 H new ATOM 0 HD11 ILE A 43 -39.705 -2.273 -15.752 1.00 4.45 H new ATOM 0 HD12 ILE A 43 -40.102 -0.543 -15.631 1.00 4.45 H new ATOM 0 HD13 ILE A 43 -38.481 -1.048 -16.165 1.00 4.45 H new ATOM 714 N PRO A 44 -36.191 0.002 -11.099 1.00 61.54 N ATOM 715 CA PRO A 44 -34.910 0.451 -10.547 1.00 20.13 C ATOM 716 C PRO A 44 -33.997 1.049 -11.611 1.00 42.42 C ATOM 717 O PRO A 44 -34.243 0.900 -12.807 1.00 5.22 O ATOM 718 CB PRO A 44 -34.299 -0.833 -9.979 1.00 71.13 C ATOM 719 CG PRO A 44 -34.921 -1.931 -10.771 1.00 2.10 C ATOM 720 CD PRO A 44 -36.312 -1.465 -11.102 1.00 33.42 C ATOM 0 HA PRO A 44 -35.040 1.241 -9.808 1.00 20.13 H new ATOM 0 HB2 PRO A 44 -33.214 -0.835 -10.084 1.00 71.13 H new ATOM 0 HB3 PRO A 44 -34.517 -0.939 -8.916 1.00 71.13 H new ATOM 0 HG2 PRO A 44 -34.350 -2.130 -11.678 1.00 2.10 H new ATOM 0 HG3 PRO A 44 -34.946 -2.859 -10.200 1.00 2.10 H new ATOM 0 HD2 PRO A 44 -36.641 -1.839 -12.072 1.00 33.42 H new ATOM 0 HD3 PRO A 44 -37.037 -1.810 -10.365 1.00 33.42 H new ATOM 728 N GLU A 45 -32.943 1.728 -11.168 1.00 32.41 N ATOM 729 CA GLU A 45 -31.993 2.348 -12.084 1.00 12.04 C ATOM 730 C GLU A 45 -30.839 1.401 -12.395 1.00 45.44 C ATOM 731 O GLU A 45 -30.268 0.784 -11.496 1.00 31.02 O ATOM 732 CB GLU A 45 -31.453 3.650 -11.489 1.00 1.14 C ATOM 733 CG GLU A 45 -30.334 3.441 -10.482 1.00 55.01 C ATOM 734 CD GLU A 45 -30.014 4.697 -9.695 1.00 54.35 C ATOM 735 OE1 GLU A 45 -29.524 5.670 -10.304 1.00 43.54 O ATOM 736 OE2 GLU A 45 -30.256 4.706 -8.470 1.00 1.10 O ATOM 0 H GLU A 45 -32.726 1.862 -10.181 1.00 32.41 H new ATOM 0 HA GLU A 45 -32.517 2.571 -13.014 1.00 12.04 H new ATOM 0 HB2 GLU A 45 -31.090 4.285 -12.297 1.00 1.14 H new ATOM 0 HB3 GLU A 45 -32.270 4.185 -11.005 1.00 1.14 H new ATOM 0 HG2 GLU A 45 -30.616 2.646 -9.791 1.00 55.01 H new ATOM 0 HG3 GLU A 45 -29.438 3.106 -11.005 1.00 55.01 H new ATOM 743 N ILE A 46 -30.502 1.291 -13.676 1.00 64.52 N ATOM 744 CA ILE A 46 -29.414 0.420 -14.107 1.00 51.43 C ATOM 745 C ILE A 46 -28.065 1.116 -13.970 1.00 31.22 C ATOM 746 O ILE A 46 -27.961 2.330 -14.141 1.00 24.43 O ATOM 747 CB ILE A 46 -29.601 -0.031 -15.568 1.00 25.22 C ATOM 748 CG1 ILE A 46 -30.921 -0.786 -15.727 1.00 52.41 C ATOM 749 CG2 ILE A 46 -28.431 -0.900 -16.007 1.00 2.02 C ATOM 750 CD1 ILE A 46 -31.332 -0.987 -17.169 1.00 54.24 C ATOM 0 H ILE A 46 -30.966 1.793 -14.433 1.00 64.52 H new ATOM 0 HA ILE A 46 -29.435 -0.456 -13.459 1.00 51.43 H new ATOM 0 HB ILE A 46 -29.632 0.853 -16.205 1.00 25.22 H new ATOM 0 HG12 ILE A 46 -30.834 -1.759 -15.243 1.00 52.41 H new ATOM 0 HG13 ILE A 46 -31.708 -0.240 -15.206 1.00 52.41 H new ATOM 0 HG21 ILE A 46 -28.577 -1.211 -17.041 1.00 2.02 H new ATOM 0 HG22 ILE A 46 -27.505 -0.331 -15.926 1.00 2.02 H new ATOM 0 HG23 ILE A 46 -28.372 -1.781 -15.368 1.00 2.02 H new ATOM 0 HD11 ILE A 46 -32.277 -1.529 -17.206 1.00 54.24 H new ATOM 0 HD12 ILE A 46 -31.451 -0.017 -17.652 1.00 54.24 H new ATOM 0 HD13 ILE A 46 -30.564 -1.560 -17.690 1.00 54.24 H new ATOM 762 N ASP A 47 -27.033 0.337 -13.661 1.00 14.23 N ATOM 763 CA ASP A 47 -25.688 0.878 -13.502 1.00 41.43 C ATOM 764 C ASP A 47 -24.986 0.993 -14.852 1.00 51.10 C ATOM 765 O ASP A 47 -24.313 1.985 -15.132 1.00 75.23 O ATOM 766 CB ASP A 47 -24.868 -0.005 -12.561 1.00 72.31 C ATOM 767 CG ASP A 47 -24.615 -1.386 -13.135 1.00 3.43 C ATOM 768 OD1 ASP A 47 -23.618 -1.549 -13.867 1.00 24.22 O ATOM 769 OD2 ASP A 47 -25.415 -2.301 -12.852 1.00 53.14 O ATOM 0 H ASP A 47 -27.103 -0.670 -13.516 1.00 14.23 H new ATOM 0 HA ASP A 47 -25.773 1.875 -13.070 1.00 41.43 H new ATOM 0 HB2 ASP A 47 -23.914 0.479 -12.353 1.00 72.31 H new ATOM 0 HB3 ASP A 47 -25.391 -0.101 -11.609 1.00 72.31 H new ATOM 774 N LYS A 48 -25.148 -0.030 -15.686 1.00 24.34 N ATOM 775 CA LYS A 48 -24.530 -0.045 -17.006 1.00 73.33 C ATOM 776 C LYS A 48 -24.867 1.226 -17.779 1.00 2.14 C ATOM 777 O LYS A 48 -26.036 1.529 -18.015 1.00 74.41 O ATOM 778 CB LYS A 48 -24.995 -1.273 -17.795 1.00 10.44 C ATOM 779 CG LYS A 48 -24.347 -2.569 -17.339 1.00 50.22 C ATOM 780 CD LYS A 48 -25.173 -3.257 -16.266 1.00 13.42 C ATOM 781 CE LYS A 48 -24.972 -4.764 -16.290 1.00 33.21 C ATOM 782 NZ LYS A 48 -25.407 -5.402 -15.016 1.00 32.23 N ATOM 0 H LYS A 48 -25.702 -0.859 -15.470 1.00 24.34 H new ATOM 0 HA LYS A 48 -23.449 -0.093 -16.874 1.00 73.33 H new ATOM 0 HB2 LYS A 48 -26.077 -1.365 -17.703 1.00 10.44 H new ATOM 0 HB3 LYS A 48 -24.777 -1.120 -18.852 1.00 10.44 H new ATOM 0 HG2 LYS A 48 -24.228 -3.237 -18.192 1.00 50.22 H new ATOM 0 HG3 LYS A 48 -23.348 -2.362 -16.954 1.00 50.22 H new ATOM 0 HD2 LYS A 48 -24.896 -2.867 -15.286 1.00 13.42 H new ATOM 0 HD3 LYS A 48 -26.228 -3.027 -16.414 1.00 13.42 H new ATOM 0 HE2 LYS A 48 -25.533 -5.192 -17.121 1.00 33.21 H new ATOM 0 HE3 LYS A 48 -23.920 -4.987 -16.467 1.00 33.21 H new ATOM 0 HZ1 LYS A 48 -25.254 -6.429 -15.072 1.00 32.23 H new ATOM 0 HZ2 LYS A 48 -24.854 -5.012 -14.226 1.00 32.23 H new ATOM 0 HZ3 LYS A 48 -26.417 -5.211 -14.859 1.00 32.23 H new ATOM 796 N ARG A 49 -23.834 1.965 -18.171 1.00 13.24 N ATOM 797 CA ARG A 49 -24.021 3.203 -18.918 1.00 2.54 C ATOM 798 C ARG A 49 -24.163 2.922 -20.410 1.00 41.12 C ATOM 799 O ARG A 49 -25.258 3.004 -20.968 1.00 63.52 O ATOM 800 CB ARG A 49 -22.846 4.152 -18.675 1.00 11.32 C ATOM 801 CG ARG A 49 -22.979 4.976 -17.405 1.00 54.30 C ATOM 802 CD ARG A 49 -21.781 5.891 -17.205 1.00 33.14 C ATOM 803 NE ARG A 49 -20.535 5.140 -17.074 1.00 71.14 N ATOM 804 CZ ARG A 49 -19.362 5.703 -16.809 1.00 15.50 C ATOM 805 NH1 ARG A 49 -19.276 7.016 -16.646 1.00 25.21 N ATOM 806 NH2 ARG A 49 -18.273 4.952 -16.706 1.00 4.44 N ATOM 0 H ARG A 49 -22.860 1.728 -17.984 1.00 13.24 H new ATOM 0 HA ARG A 49 -24.939 3.675 -18.567 1.00 2.54 H new ATOM 0 HB2 ARG A 49 -21.925 3.571 -18.626 1.00 11.32 H new ATOM 0 HB3 ARG A 49 -22.752 4.826 -19.527 1.00 11.32 H new ATOM 0 HG2 ARG A 49 -23.890 5.573 -17.451 1.00 54.30 H new ATOM 0 HG3 ARG A 49 -23.077 4.311 -16.547 1.00 54.30 H new ATOM 0 HD2 ARG A 49 -21.704 6.577 -18.049 1.00 33.14 H new ATOM 0 HD3 ARG A 49 -21.934 6.499 -16.313 1.00 33.14 H new ATOM 0 HE ARG A 49 -20.568 4.127 -17.193 1.00 71.14 H new ATOM 0 HH11 ARG A 49 -20.112 7.595 -16.724 1.00 25.21 H new ATOM 0 HH12 ARG A 49 -18.374 7.447 -16.442 1.00 25.21 H new ATOM 0 HH21 ARG A 49 -18.337 3.942 -16.830 1.00 4.44 H new ATOM 0 HH22 ARG A 49 -17.372 5.385 -16.502 1.00 4.44 H new ATOM 820 N LYS A 50 -23.047 2.591 -21.053 1.00 14.31 N ATOM 821 CA LYS A 50 -23.045 2.298 -22.481 1.00 60.04 C ATOM 822 C LYS A 50 -23.498 0.865 -22.742 1.00 73.32 C ATOM 823 O LYS A 50 -22.987 -0.078 -22.137 1.00 72.01 O ATOM 824 CB LYS A 50 -21.649 2.517 -23.066 1.00 64.11 C ATOM 825 CG LYS A 50 -20.553 1.774 -22.321 1.00 35.54 C ATOM 826 CD LYS A 50 -19.717 2.718 -21.473 1.00 23.34 C ATOM 827 CE LYS A 50 -18.638 3.400 -22.300 1.00 2.13 C ATOM 828 NZ LYS A 50 -17.619 4.066 -21.442 1.00 10.24 N ATOM 0 H LYS A 50 -22.133 2.519 -20.607 1.00 14.31 H new ATOM 0 HA LYS A 50 -23.746 2.977 -22.967 1.00 60.04 H new ATOM 0 HB2 LYS A 50 -21.647 2.199 -24.109 1.00 64.11 H new ATOM 0 HB3 LYS A 50 -21.424 3.583 -23.057 1.00 64.11 H new ATOM 0 HG2 LYS A 50 -20.998 1.009 -21.685 1.00 35.54 H new ATOM 0 HG3 LYS A 50 -19.910 1.259 -23.035 1.00 35.54 H new ATOM 0 HD2 LYS A 50 -20.362 3.472 -21.022 1.00 23.34 H new ATOM 0 HD3 LYS A 50 -19.255 2.163 -20.656 1.00 23.34 H new ATOM 0 HE2 LYS A 50 -18.150 2.663 -22.938 1.00 2.13 H new ATOM 0 HE3 LYS A 50 -19.097 4.138 -22.958 1.00 2.13 H new ATOM 0 HZ1 LYS A 50 -16.901 4.519 -22.043 1.00 10.24 H new ATOM 0 HZ2 LYS A 50 -18.080 4.787 -20.851 1.00 10.24 H new ATOM 0 HZ3 LYS A 50 -17.163 3.358 -20.832 1.00 10.24 H new ATOM 842 N TYR A 51 -24.458 0.708 -23.647 1.00 61.14 N ATOM 843 CA TYR A 51 -24.979 -0.611 -23.987 1.00 11.31 C ATOM 844 C TYR A 51 -24.436 -1.081 -25.333 1.00 33.22 C ATOM 845 O TYR A 51 -24.563 -0.389 -26.344 1.00 72.30 O ATOM 846 CB TYR A 51 -26.509 -0.583 -24.024 1.00 23.23 C ATOM 847 CG TYR A 51 -27.153 -0.962 -22.709 1.00 23.44 C ATOM 848 CD1 TYR A 51 -26.786 -2.126 -22.043 1.00 5.31 C ATOM 849 CD2 TYR A 51 -28.127 -0.157 -22.133 1.00 74.11 C ATOM 850 CE1 TYR A 51 -27.372 -2.476 -20.842 1.00 42.30 C ATOM 851 CE2 TYR A 51 -28.718 -0.500 -20.932 1.00 1.23 C ATOM 852 CZ TYR A 51 -28.337 -1.660 -20.290 1.00 50.42 C ATOM 853 OH TYR A 51 -28.924 -2.005 -19.094 1.00 42.11 O ATOM 0 H TYR A 51 -24.891 1.477 -24.158 1.00 61.14 H new ATOM 0 HA TYR A 51 -24.652 -1.312 -23.219 1.00 11.31 H new ATOM 0 HB2 TYR A 51 -26.839 0.417 -24.306 1.00 23.23 H new ATOM 0 HB3 TYR A 51 -26.858 -1.265 -24.800 1.00 23.23 H new ATOM 0 HD1 TYR A 51 -26.030 -2.767 -22.472 1.00 5.31 H new ATOM 0 HD2 TYR A 51 -28.428 0.752 -22.632 1.00 74.11 H new ATOM 0 HE1 TYR A 51 -27.076 -3.384 -20.338 1.00 42.30 H new ATOM 0 HE2 TYR A 51 -29.475 0.137 -20.498 1.00 1.23 H new ATOM 0 HH TYR A 51 -28.337 -2.621 -18.607 1.00 42.11 H new ATOM 863 N LEU A 52 -23.830 -2.263 -25.338 1.00 32.35 N ATOM 864 CA LEU A 52 -23.266 -2.829 -26.559 1.00 34.35 C ATOM 865 C LEU A 52 -24.274 -3.741 -27.252 1.00 31.12 C ATOM 866 O LEU A 52 -24.357 -4.932 -26.952 1.00 61.10 O ATOM 867 CB LEU A 52 -21.990 -3.609 -26.241 1.00 23.40 C ATOM 868 CG LEU A 52 -20.794 -3.340 -27.155 1.00 22.44 C ATOM 869 CD1 LEU A 52 -21.221 -3.364 -28.613 1.00 45.32 C ATOM 870 CD2 LEU A 52 -20.147 -2.007 -26.808 1.00 22.03 C ATOM 0 H LEU A 52 -23.716 -2.848 -24.510 1.00 32.35 H new ATOM 0 HA LEU A 52 -23.023 -2.007 -27.233 1.00 34.35 H new ATOM 0 HB2 LEU A 52 -21.696 -3.384 -25.216 1.00 23.40 H new ATOM 0 HB3 LEU A 52 -22.220 -4.674 -26.280 1.00 23.40 H new ATOM 0 HG LEU A 52 -20.058 -4.129 -27.001 1.00 22.44 H new ATOM 0 HD11 LEU A 52 -20.357 -3.171 -29.248 1.00 45.32 H new ATOM 0 HD12 LEU A 52 -21.637 -4.342 -28.854 1.00 45.32 H new ATOM 0 HD13 LEU A 52 -21.976 -2.596 -28.784 1.00 45.32 H new ATOM 0 HD21 LEU A 52 -19.298 -1.832 -27.468 1.00 22.03 H new ATOM 0 HD22 LEU A 52 -20.875 -1.206 -26.933 1.00 22.03 H new ATOM 0 HD23 LEU A 52 -19.804 -2.027 -25.774 1.00 22.03 H new ATOM 882 N VAL A 53 -25.036 -3.174 -28.181 1.00 30.00 N ATOM 883 CA VAL A 53 -26.036 -3.936 -28.919 1.00 63.21 C ATOM 884 C VAL A 53 -25.680 -4.022 -30.399 1.00 23.41 C ATOM 885 O VAL A 53 -25.384 -3.020 -31.051 1.00 34.03 O ATOM 886 CB VAL A 53 -27.436 -3.312 -28.776 1.00 74.22 C ATOM 887 CG1 VAL A 53 -28.489 -4.210 -29.410 1.00 3.22 C ATOM 888 CG2 VAL A 53 -27.757 -3.054 -27.311 1.00 23.22 C ATOM 0 H VAL A 53 -24.980 -2.189 -28.441 1.00 30.00 H new ATOM 0 HA VAL A 53 -26.048 -4.939 -28.492 1.00 63.21 H new ATOM 0 HB VAL A 53 -27.444 -2.357 -29.301 1.00 74.22 H new ATOM 0 HG11 VAL A 53 -29.472 -3.752 -29.299 1.00 3.22 H new ATOM 0 HG12 VAL A 53 -28.267 -4.340 -30.469 1.00 3.22 H new ATOM 0 HG13 VAL A 53 -28.483 -5.182 -28.916 1.00 3.22 H new ATOM 0 HG21 VAL A 53 -28.750 -2.613 -27.228 1.00 23.22 H new ATOM 0 HG22 VAL A 53 -27.731 -3.995 -26.762 1.00 23.22 H new ATOM 0 HG23 VAL A 53 -27.020 -2.369 -26.892 1.00 23.22 H new ATOM 898 N PRO A 54 -25.706 -5.247 -30.944 1.00 72.34 N ATOM 899 CA PRO A 54 -25.389 -5.494 -32.353 1.00 45.14 C ATOM 900 C PRO A 54 -26.458 -4.947 -33.292 1.00 45.41 C ATOM 901 O PRO A 54 -27.637 -4.895 -32.944 1.00 63.30 O ATOM 902 CB PRO A 54 -25.330 -7.021 -32.442 1.00 52.24 C ATOM 903 CG PRO A 54 -26.197 -7.498 -31.329 1.00 24.32 C ATOM 904 CD PRO A 54 -26.048 -6.487 -30.226 1.00 31.25 C ATOM 0 HA PRO A 54 -24.465 -5.000 -32.655 1.00 45.14 H new ATOM 0 HB2 PRO A 54 -25.693 -7.376 -33.407 1.00 52.24 H new ATOM 0 HB3 PRO A 54 -24.308 -7.385 -32.332 1.00 52.24 H new ATOM 0 HG2 PRO A 54 -27.236 -7.576 -31.649 1.00 24.32 H new ATOM 0 HG3 PRO A 54 -25.892 -8.489 -30.994 1.00 24.32 H new ATOM 0 HD2 PRO A 54 -26.969 -6.379 -29.653 1.00 31.25 H new ATOM 0 HD3 PRO A 54 -25.266 -6.772 -29.522 1.00 31.25 H new ATOM 912 N ALA A 55 -26.039 -4.538 -34.486 1.00 3.24 N ATOM 913 CA ALA A 55 -26.961 -3.996 -35.476 1.00 54.22 C ATOM 914 C ALA A 55 -27.982 -5.044 -35.906 1.00 41.31 C ATOM 915 O ALA A 55 -28.994 -4.719 -36.527 1.00 40.33 O ATOM 916 CB ALA A 55 -26.195 -3.476 -36.683 1.00 63.34 C ATOM 0 H ALA A 55 -25.066 -4.572 -34.790 1.00 3.24 H new ATOM 0 HA ALA A 55 -27.500 -3.167 -35.018 1.00 54.22 H new ATOM 0 HB1 ALA A 55 -26.897 -3.074 -37.414 1.00 63.34 H new ATOM 0 HB2 ALA A 55 -25.510 -2.689 -36.368 1.00 63.34 H new ATOM 0 HB3 ALA A 55 -25.629 -4.291 -37.134 1.00 63.34 H new ATOM 922 N ASP A 56 -27.710 -6.300 -35.572 1.00 73.22 N ATOM 923 CA ASP A 56 -28.605 -7.396 -35.923 1.00 14.20 C ATOM 924 C ASP A 56 -29.473 -7.793 -34.732 1.00 64.11 C ATOM 925 O ASP A 56 -30.046 -8.882 -34.703 1.00 41.14 O ATOM 926 CB ASP A 56 -27.802 -8.603 -36.410 1.00 11.03 C ATOM 927 CG ASP A 56 -28.687 -9.697 -36.975 1.00 4.11 C ATOM 928 OD1 ASP A 56 -29.219 -9.512 -38.090 1.00 14.25 O ATOM 929 OD2 ASP A 56 -28.846 -10.737 -36.304 1.00 74.34 O ATOM 0 H ASP A 56 -26.876 -6.585 -35.058 1.00 73.22 H new ATOM 0 HA ASP A 56 -29.258 -7.056 -36.727 1.00 14.20 H new ATOM 0 HB2 ASP A 56 -27.095 -8.281 -37.174 1.00 11.03 H new ATOM 0 HB3 ASP A 56 -27.217 -9.004 -35.583 1.00 11.03 H new ATOM 934 N LEU A 57 -29.563 -6.902 -33.750 1.00 64.31 N ATOM 935 CA LEU A 57 -30.359 -7.160 -32.555 1.00 4.33 C ATOM 936 C LEU A 57 -31.798 -6.697 -32.750 1.00 14.41 C ATOM 937 O LEU A 57 -32.050 -5.631 -33.313 1.00 24.03 O ATOM 938 CB LEU A 57 -29.743 -6.453 -31.346 1.00 40.32 C ATOM 939 CG LEU A 57 -29.889 -7.170 -30.003 1.00 0.32 C ATOM 940 CD1 LEU A 57 -31.326 -7.096 -29.513 1.00 0.43 C ATOM 941 CD2 LEU A 57 -29.437 -8.618 -30.119 1.00 40.45 C ATOM 0 H LEU A 57 -29.095 -5.996 -33.758 1.00 64.31 H new ATOM 0 HA LEU A 57 -30.364 -8.235 -32.376 1.00 4.33 H new ATOM 0 HB2 LEU A 57 -28.681 -6.302 -31.541 1.00 40.32 H new ATOM 0 HB3 LEU A 57 -30.195 -5.465 -31.259 1.00 40.32 H new ATOM 0 HG LEU A 57 -29.252 -6.669 -29.274 1.00 0.32 H new ATOM 0 HD11 LEU A 57 -31.411 -7.611 -28.556 1.00 0.43 H new ATOM 0 HD12 LEU A 57 -31.615 -6.052 -29.390 1.00 0.43 H new ATOM 0 HD13 LEU A 57 -31.984 -7.571 -30.241 1.00 0.43 H new ATOM 0 HD21 LEU A 57 -29.548 -9.112 -29.154 1.00 40.45 H new ATOM 0 HD22 LEU A 57 -30.047 -9.131 -30.862 1.00 40.45 H new ATOM 0 HD23 LEU A 57 -28.391 -8.649 -30.424 1.00 40.45 H new ATOM 953 N THR A 58 -32.743 -7.505 -32.280 1.00 35.42 N ATOM 954 CA THR A 58 -34.159 -7.179 -32.401 1.00 3.25 C ATOM 955 C THR A 58 -34.719 -6.661 -31.081 1.00 64.13 C ATOM 956 O THR A 58 -34.222 -7.002 -30.008 1.00 61.20 O ATOM 957 CB THR A 58 -34.981 -8.402 -32.850 1.00 30.20 C ATOM 958 OG1 THR A 58 -34.899 -9.436 -31.863 1.00 62.31 O ATOM 959 CG2 THR A 58 -34.482 -8.929 -34.186 1.00 64.44 C ATOM 0 H THR A 58 -32.553 -8.391 -31.811 1.00 35.42 H new ATOM 0 HA THR A 58 -34.240 -6.399 -33.158 1.00 3.25 H new ATOM 0 HB THR A 58 -36.019 -8.091 -32.965 1.00 30.20 H new ATOM 0 HG1 THR A 58 -35.425 -10.209 -32.155 1.00 62.31 H new ATOM 0 HG21 THR A 58 -35.078 -9.792 -34.482 1.00 64.44 H new ATOM 0 HG22 THR A 58 -34.573 -8.149 -34.942 1.00 64.44 H new ATOM 0 HG23 THR A 58 -33.437 -9.224 -34.093 1.00 64.44 H new ATOM 967 N VAL A 59 -35.757 -5.835 -31.168 1.00 23.13 N ATOM 968 CA VAL A 59 -36.386 -5.271 -29.980 1.00 34.32 C ATOM 969 C VAL A 59 -36.722 -6.360 -28.967 1.00 21.21 C ATOM 970 O VAL A 59 -36.576 -6.166 -27.761 1.00 31.43 O ATOM 971 CB VAL A 59 -37.673 -4.503 -30.337 1.00 52.02 C ATOM 972 CG1 VAL A 59 -38.414 -4.088 -29.076 1.00 34.14 C ATOM 973 CG2 VAL A 59 -37.348 -3.292 -31.198 1.00 33.21 C ATOM 0 H VAL A 59 -36.180 -5.542 -32.049 1.00 23.13 H new ATOM 0 HA VAL A 59 -35.668 -4.578 -29.540 1.00 34.32 H new ATOM 0 HB VAL A 59 -38.323 -5.164 -30.910 1.00 52.02 H new ATOM 0 HG11 VAL A 59 -39.320 -3.547 -29.348 1.00 34.14 H new ATOM 0 HG12 VAL A 59 -38.680 -4.975 -28.502 1.00 34.14 H new ATOM 0 HG13 VAL A 59 -37.774 -3.444 -28.473 1.00 34.14 H new ATOM 0 HG21 VAL A 59 -38.268 -2.761 -31.441 1.00 33.21 H new ATOM 0 HG22 VAL A 59 -36.678 -2.627 -30.653 1.00 33.21 H new ATOM 0 HG23 VAL A 59 -36.864 -3.619 -32.118 1.00 33.21 H new ATOM 983 N GLY A 60 -37.173 -7.507 -29.466 1.00 5.24 N ATOM 984 CA GLY A 60 -37.523 -8.610 -28.590 1.00 23.30 C ATOM 985 C GLY A 60 -36.311 -9.217 -27.909 1.00 51.32 C ATOM 986 O GLY A 60 -36.331 -9.471 -26.706 1.00 31.24 O ATOM 0 H GLY A 60 -37.302 -7.692 -30.461 1.00 5.24 H new ATOM 0 HA2 GLY A 60 -38.224 -8.260 -27.832 1.00 23.30 H new ATOM 0 HA3 GLY A 60 -38.035 -9.380 -29.167 1.00 23.30 H new ATOM 990 N GLN A 61 -35.255 -9.449 -28.682 1.00 22.23 N ATOM 991 CA GLN A 61 -34.031 -10.031 -28.146 1.00 65.42 C ATOM 992 C GLN A 61 -33.397 -9.108 -27.110 1.00 34.43 C ATOM 993 O GLN A 61 -32.722 -9.565 -26.187 1.00 70.41 O ATOM 994 CB GLN A 61 -33.035 -10.308 -29.275 1.00 75.43 C ATOM 995 CG GLN A 61 -32.345 -11.658 -29.159 1.00 60.35 C ATOM 996 CD GLN A 61 -31.246 -11.841 -30.187 1.00 33.52 C ATOM 997 OE1 GLN A 61 -30.073 -11.987 -29.840 1.00 0.44 O ATOM 998 NE2 GLN A 61 -31.619 -11.835 -31.461 1.00 61.34 N ATOM 0 H GLN A 61 -35.223 -9.243 -29.680 1.00 22.23 H new ATOM 0 HA GLN A 61 -34.290 -10.971 -27.659 1.00 65.42 H new ATOM 0 HB2 GLN A 61 -33.558 -10.257 -30.230 1.00 75.43 H new ATOM 0 HB3 GLN A 61 -32.279 -9.522 -29.283 1.00 75.43 H new ATOM 0 HG2 GLN A 61 -31.923 -11.762 -28.159 1.00 60.35 H new ATOM 0 HG3 GLN A 61 -33.084 -12.451 -29.277 1.00 60.35 H new ATOM 0 HE21 GLN A 61 -32.602 -11.711 -31.704 1.00 61.34 H new ATOM 0 HE22 GLN A 61 -30.923 -11.954 -32.197 1.00 61.34 H new ATOM 1007 N PHE A 62 -33.618 -7.808 -27.269 1.00 74.40 N ATOM 1008 CA PHE A 62 -33.068 -6.820 -26.347 1.00 71.44 C ATOM 1009 C PHE A 62 -33.889 -6.758 -25.063 1.00 72.43 C ATOM 1010 O PHE A 62 -33.340 -6.740 -23.961 1.00 71.12 O ATOM 1011 CB PHE A 62 -33.028 -5.441 -27.009 1.00 33.41 C ATOM 1012 CG PHE A 62 -32.553 -4.351 -26.091 1.00 41.22 C ATOM 1013 CD1 PHE A 62 -31.587 -4.607 -25.131 1.00 55.33 C ATOM 1014 CD2 PHE A 62 -33.072 -3.069 -26.191 1.00 74.42 C ATOM 1015 CE1 PHE A 62 -31.150 -3.605 -24.286 1.00 3.43 C ATOM 1016 CE2 PHE A 62 -32.637 -2.063 -25.348 1.00 62.44 C ATOM 1017 CZ PHE A 62 -31.674 -2.331 -24.395 1.00 33.30 C ATOM 0 H PHE A 62 -34.174 -7.413 -28.028 1.00 74.40 H new ATOM 0 HA PHE A 62 -32.052 -7.122 -26.092 1.00 71.44 H new ATOM 0 HB2 PHE A 62 -32.374 -5.483 -27.880 1.00 33.41 H new ATOM 0 HB3 PHE A 62 -34.025 -5.191 -27.372 1.00 33.41 H new ATOM 0 HD1 PHE A 62 -31.171 -5.600 -25.042 1.00 55.33 H new ATOM 0 HD2 PHE A 62 -33.824 -2.854 -26.935 1.00 74.42 H new ATOM 0 HE1 PHE A 62 -30.399 -3.818 -23.540 1.00 3.43 H new ATOM 0 HE2 PHE A 62 -33.050 -1.069 -25.435 1.00 62.44 H new ATOM 0 HZ PHE A 62 -31.331 -1.547 -23.736 1.00 33.30 H new ATOM 1027 N VAL A 63 -35.210 -6.725 -25.213 1.00 3.35 N ATOM 1028 CA VAL A 63 -36.108 -6.665 -24.066 1.00 53.00 C ATOM 1029 C VAL A 63 -35.965 -7.904 -23.190 1.00 63.11 C ATOM 1030 O VAL A 63 -36.074 -7.827 -21.966 1.00 72.22 O ATOM 1031 CB VAL A 63 -37.577 -6.532 -24.511 1.00 21.12 C ATOM 1032 CG1 VAL A 63 -38.505 -6.578 -23.306 1.00 53.13 C ATOM 1033 CG2 VAL A 63 -37.780 -5.248 -25.301 1.00 65.34 C ATOM 0 H VAL A 63 -35.681 -6.739 -26.117 1.00 3.35 H new ATOM 0 HA VAL A 63 -35.828 -5.783 -23.490 1.00 53.00 H new ATOM 0 HB VAL A 63 -37.820 -7.373 -25.160 1.00 21.12 H new ATOM 0 HG11 VAL A 63 -39.539 -6.483 -23.639 1.00 53.13 H new ATOM 0 HG12 VAL A 63 -38.378 -7.527 -22.785 1.00 53.13 H new ATOM 0 HG13 VAL A 63 -38.264 -5.758 -22.630 1.00 53.13 H new ATOM 0 HG21 VAL A 63 -38.823 -5.170 -25.607 1.00 65.34 H new ATOM 0 HG22 VAL A 63 -37.520 -4.392 -24.678 1.00 65.34 H new ATOM 0 HG23 VAL A 63 -37.142 -5.260 -26.185 1.00 65.34 H new ATOM 1043 N TYR A 64 -35.717 -9.044 -23.824 1.00 21.33 N ATOM 1044 CA TYR A 64 -35.559 -10.302 -23.101 1.00 44.44 C ATOM 1045 C TYR A 64 -34.239 -10.328 -22.337 1.00 75.51 C ATOM 1046 O TYR A 64 -34.145 -10.918 -21.261 1.00 31.24 O ATOM 1047 CB TYR A 64 -35.624 -11.483 -24.072 1.00 12.12 C ATOM 1048 CG TYR A 64 -37.032 -11.946 -24.369 1.00 51.50 C ATOM 1049 CD1 TYR A 64 -37.902 -12.290 -23.342 1.00 55.22 C ATOM 1050 CD2 TYR A 64 -37.492 -12.040 -25.676 1.00 74.23 C ATOM 1051 CE1 TYR A 64 -39.190 -12.714 -23.608 1.00 50.04 C ATOM 1052 CE2 TYR A 64 -38.779 -12.462 -25.952 1.00 64.31 C ATOM 1053 CZ TYR A 64 -39.623 -12.798 -24.915 1.00 41.33 C ATOM 1054 OH TYR A 64 -40.905 -13.220 -25.186 1.00 32.13 O ATOM 0 H TYR A 64 -35.621 -9.124 -24.836 1.00 21.33 H new ATOM 0 HA TYR A 64 -36.375 -10.385 -22.383 1.00 44.44 H new ATOM 0 HB2 TYR A 64 -35.138 -11.201 -25.006 1.00 12.12 H new ATOM 0 HB3 TYR A 64 -35.057 -12.316 -23.656 1.00 12.12 H new ATOM 0 HD1 TYR A 64 -37.566 -12.225 -22.318 1.00 55.22 H new ATOM 0 HD2 TYR A 64 -36.833 -11.779 -26.491 1.00 74.23 H new ATOM 0 HE1 TYR A 64 -39.853 -12.978 -22.798 1.00 50.04 H new ATOM 0 HE2 TYR A 64 -39.121 -12.528 -26.974 1.00 64.31 H new ATOM 0 HH TYR A 64 -41.051 -13.222 -26.155 1.00 32.13 H new ATOM 1064 N VAL A 65 -33.222 -9.687 -22.903 1.00 35.12 N ATOM 1065 CA VAL A 65 -31.908 -9.635 -22.275 1.00 24.33 C ATOM 1066 C VAL A 65 -31.886 -8.634 -21.125 1.00 13.43 C ATOM 1067 O VAL A 65 -31.187 -8.830 -20.130 1.00 73.21 O ATOM 1068 CB VAL A 65 -30.815 -9.255 -23.291 1.00 2.15 C ATOM 1069 CG1 VAL A 65 -29.615 -8.644 -22.583 1.00 3.15 C ATOM 1070 CG2 VAL A 65 -30.401 -10.470 -24.106 1.00 64.14 C ATOM 0 H VAL A 65 -33.283 -9.197 -23.795 1.00 35.12 H new ATOM 0 HA VAL A 65 -31.704 -10.633 -21.888 1.00 24.33 H new ATOM 0 HB VAL A 65 -31.222 -8.509 -23.973 1.00 2.15 H new ATOM 0 HG11 VAL A 65 -28.854 -8.382 -23.318 1.00 3.15 H new ATOM 0 HG12 VAL A 65 -29.926 -7.747 -22.048 1.00 3.15 H new ATOM 0 HG13 VAL A 65 -29.204 -9.364 -21.876 1.00 3.15 H new ATOM 0 HG21 VAL A 65 -29.628 -10.184 -24.819 1.00 64.14 H new ATOM 0 HG22 VAL A 65 -30.013 -11.240 -23.439 1.00 64.14 H new ATOM 0 HG23 VAL A 65 -31.265 -10.859 -24.645 1.00 64.14 H new ATOM 1080 N ILE A 66 -32.658 -7.561 -21.267 1.00 63.52 N ATOM 1081 CA ILE A 66 -32.728 -6.529 -20.239 1.00 74.35 C ATOM 1082 C ILE A 66 -33.001 -7.139 -18.868 1.00 10.12 C ATOM 1083 O ILE A 66 -32.471 -6.678 -17.857 1.00 2.22 O ATOM 1084 CB ILE A 66 -33.824 -5.495 -20.556 1.00 4.04 C ATOM 1085 CG1 ILE A 66 -33.325 -4.495 -21.601 1.00 64.02 C ATOM 1086 CG2 ILE A 66 -34.252 -4.772 -19.287 1.00 31.20 C ATOM 1087 CD1 ILE A 66 -32.193 -3.620 -21.109 1.00 11.03 C ATOM 0 H ILE A 66 -33.243 -7.384 -22.083 1.00 63.52 H new ATOM 0 HA ILE A 66 -31.760 -6.028 -20.225 1.00 74.35 H new ATOM 0 HB ILE A 66 -34.689 -6.018 -20.964 1.00 4.04 H new ATOM 0 HG12 ILE A 66 -32.994 -5.040 -22.485 1.00 64.02 H new ATOM 0 HG13 ILE A 66 -34.156 -3.861 -21.910 1.00 64.02 H new ATOM 0 HG21 ILE A 66 -35.027 -4.044 -19.527 1.00 31.20 H new ATOM 0 HG22 ILE A 66 -34.642 -5.495 -18.570 1.00 31.20 H new ATOM 0 HG23 ILE A 66 -33.394 -4.258 -18.854 1.00 31.20 H new ATOM 0 HD11 ILE A 66 -31.891 -2.936 -21.902 1.00 11.03 H new ATOM 0 HD12 ILE A 66 -32.526 -3.047 -20.243 1.00 11.03 H new ATOM 0 HD13 ILE A 66 -31.346 -4.245 -20.827 1.00 11.03 H new ATOM 1099 N ARG A 67 -33.829 -8.177 -18.842 1.00 63.52 N ATOM 1100 CA ARG A 67 -34.171 -8.850 -17.595 1.00 75.32 C ATOM 1101 C ARG A 67 -32.913 -9.282 -16.847 1.00 74.54 C ATOM 1102 O ARG A 67 -32.872 -9.265 -15.617 1.00 4.22 O ATOM 1103 CB ARG A 67 -35.056 -10.068 -17.873 1.00 5.31 C ATOM 1104 CG ARG A 67 -34.280 -11.292 -18.331 1.00 52.22 C ATOM 1105 CD ARG A 67 -35.196 -12.325 -18.968 1.00 64.54 C ATOM 1106 NE ARG A 67 -34.462 -13.508 -19.411 1.00 71.20 N ATOM 1107 CZ ARG A 67 -35.043 -14.575 -19.948 1.00 73.11 C ATOM 1108 NH1 ARG A 67 -36.359 -14.607 -20.109 1.00 20.02 N ATOM 1109 NH2 ARG A 67 -34.309 -15.613 -20.325 1.00 24.40 N ATOM 0 H ARG A 67 -34.276 -8.571 -19.670 1.00 63.52 H new ATOM 0 HA ARG A 67 -34.720 -8.145 -16.970 1.00 75.32 H new ATOM 0 HB2 ARG A 67 -35.611 -10.317 -16.969 1.00 5.31 H new ATOM 0 HB3 ARG A 67 -35.790 -9.807 -18.636 1.00 5.31 H new ATOM 0 HG2 ARG A 67 -33.514 -10.992 -19.047 1.00 52.22 H new ATOM 0 HG3 ARG A 67 -33.764 -11.737 -17.480 1.00 52.22 H new ATOM 0 HD2 ARG A 67 -35.962 -12.621 -18.252 1.00 64.54 H new ATOM 0 HD3 ARG A 67 -35.711 -11.878 -19.819 1.00 64.54 H new ATOM 0 HE ARG A 67 -33.448 -13.515 -19.302 1.00 71.20 H new ATOM 0 HH11 ARG A 67 -36.928 -13.811 -19.820 1.00 20.02 H new ATOM 0 HH12 ARG A 67 -36.803 -15.428 -20.522 1.00 20.02 H new ATOM 0 HH21 ARG A 67 -33.297 -15.593 -20.203 1.00 24.40 H new ATOM 0 HH22 ARG A 67 -34.757 -16.432 -20.737 1.00 24.40 H new ATOM 1123 N LYS A 68 -31.889 -9.672 -17.599 1.00 20.20 N ATOM 1124 CA LYS A 68 -30.629 -10.108 -17.009 1.00 24.20 C ATOM 1125 C LYS A 68 -29.775 -8.911 -16.602 1.00 31.22 C ATOM 1126 O LYS A 68 -28.893 -9.027 -15.750 1.00 14.43 O ATOM 1127 CB LYS A 68 -29.856 -10.986 -17.997 1.00 55.20 C ATOM 1128 CG LYS A 68 -28.698 -11.738 -17.365 1.00 35.41 C ATOM 1129 CD LYS A 68 -29.187 -12.874 -16.480 1.00 22.01 C ATOM 1130 CE LYS A 68 -28.045 -13.497 -15.691 1.00 41.53 C ATOM 1131 NZ LYS A 68 -27.051 -14.158 -16.581 1.00 13.31 N ATOM 0 H LYS A 68 -31.907 -9.695 -18.619 1.00 20.20 H new ATOM 0 HA LYS A 68 -30.857 -10.690 -16.116 1.00 24.20 H new ATOM 0 HB2 LYS A 68 -30.542 -11.704 -18.446 1.00 55.20 H new ATOM 0 HB3 LYS A 68 -29.475 -10.361 -18.804 1.00 55.20 H new ATOM 0 HG2 LYS A 68 -28.052 -12.137 -18.147 1.00 35.41 H new ATOM 0 HG3 LYS A 68 -28.095 -11.049 -16.774 1.00 35.41 H new ATOM 0 HD2 LYS A 68 -29.945 -12.500 -15.792 1.00 22.01 H new ATOM 0 HD3 LYS A 68 -29.664 -13.637 -17.095 1.00 22.01 H new ATOM 0 HE2 LYS A 68 -27.548 -12.726 -15.101 1.00 41.53 H new ATOM 0 HE3 LYS A 68 -28.445 -14.228 -14.988 1.00 41.53 H new ATOM 0 HZ1 LYS A 68 -26.326 -14.628 -16.003 1.00 13.31 H new ATOM 0 HZ2 LYS A 68 -27.532 -14.864 -17.174 1.00 13.31 H new ATOM 0 HZ3 LYS A 68 -26.600 -13.444 -17.189 1.00 13.31 H new ATOM 1145 N ARG A 69 -30.044 -7.763 -17.214 1.00 64.22 N ATOM 1146 CA ARG A 69 -29.300 -6.545 -16.915 1.00 52.10 C ATOM 1147 C ARG A 69 -29.817 -5.894 -15.635 1.00 0.14 C ATOM 1148 O ARG A 69 -29.035 -5.484 -14.776 1.00 31.23 O ATOM 1149 CB ARG A 69 -29.404 -5.559 -18.080 1.00 35.21 C ATOM 1150 CG ARG A 69 -28.868 -6.108 -19.392 1.00 73.02 C ATOM 1151 CD ARG A 69 -27.349 -6.151 -19.398 1.00 64.40 C ATOM 1152 NE ARG A 69 -26.818 -6.542 -20.701 1.00 24.44 N ATOM 1153 CZ ARG A 69 -26.797 -7.796 -21.140 1.00 41.40 C ATOM 1154 NH1 ARG A 69 -27.276 -8.775 -20.385 1.00 11.14 N ATOM 1155 NH2 ARG A 69 -26.297 -8.072 -22.338 1.00 74.31 N ATOM 0 H ARG A 69 -30.772 -7.650 -17.920 1.00 64.22 H new ATOM 0 HA ARG A 69 -28.254 -6.814 -16.769 1.00 52.10 H new ATOM 0 HB2 ARG A 69 -30.448 -5.276 -18.214 1.00 35.21 H new ATOM 0 HB3 ARG A 69 -28.858 -4.650 -17.826 1.00 35.21 H new ATOM 0 HG2 ARG A 69 -29.262 -7.111 -19.556 1.00 73.02 H new ATOM 0 HG3 ARG A 69 -29.219 -5.489 -20.217 1.00 73.02 H new ATOM 0 HD2 ARG A 69 -26.957 -5.171 -19.126 1.00 64.40 H new ATOM 0 HD3 ARG A 69 -27.003 -6.854 -18.640 1.00 64.40 H new ATOM 0 HE ARG A 69 -26.443 -5.813 -21.307 1.00 24.44 H new ATOM 0 HH11 ARG A 69 -27.662 -8.567 -19.464 1.00 11.14 H new ATOM 0 HH12 ARG A 69 -27.258 -9.737 -20.725 1.00 11.14 H new ATOM 0 HH21 ARG A 69 -25.929 -7.321 -22.922 1.00 74.31 H new ATOM 0 HH22 ARG A 69 -26.281 -9.035 -22.675 1.00 74.31 H new ATOM 1169 N ILE A 70 -31.137 -5.801 -15.516 1.00 3.11 N ATOM 1170 CA ILE A 70 -31.757 -5.200 -14.342 1.00 61.12 C ATOM 1171 C ILE A 70 -31.987 -6.239 -13.250 1.00 13.53 C ATOM 1172 O ILE A 70 -32.489 -5.920 -12.171 1.00 44.54 O ATOM 1173 CB ILE A 70 -33.101 -4.535 -14.693 1.00 1.32 C ATOM 1174 CG1 ILE A 70 -33.026 -3.882 -16.075 1.00 52.14 C ATOM 1175 CG2 ILE A 70 -33.477 -3.508 -13.635 1.00 41.24 C ATOM 1176 CD1 ILE A 70 -34.286 -3.140 -16.462 1.00 0.31 C ATOM 0 H ILE A 70 -31.798 -6.134 -16.218 1.00 3.11 H new ATOM 0 HA ILE A 70 -31.069 -4.438 -13.977 1.00 61.12 H new ATOM 0 HB ILE A 70 -33.874 -5.303 -14.716 1.00 1.32 H new ATOM 0 HG12 ILE A 70 -32.185 -3.189 -16.095 1.00 52.14 H new ATOM 0 HG13 ILE A 70 -32.823 -4.651 -16.821 1.00 52.14 H new ATOM 0 HG21 ILE A 70 -34.429 -3.047 -13.898 1.00 41.24 H new ATOM 0 HG22 ILE A 70 -33.567 -4.000 -12.666 1.00 41.24 H new ATOM 0 HG23 ILE A 70 -32.705 -2.741 -13.582 1.00 41.24 H new ATOM 0 HD11 ILE A 70 -34.161 -2.703 -17.453 1.00 0.31 H new ATOM 0 HD12 ILE A 70 -35.127 -3.833 -16.475 1.00 0.31 H new ATOM 0 HD13 ILE A 70 -34.479 -2.348 -15.738 1.00 0.31 H new ATOM 1188 N MET A 71 -31.616 -7.482 -13.535 1.00 24.51 N ATOM 1189 CA MET A 71 -31.779 -8.568 -12.575 1.00 3.10 C ATOM 1190 C MET A 71 -33.222 -8.652 -12.089 1.00 4.42 C ATOM 1191 O MET A 71 -33.489 -9.119 -10.982 1.00 31.22 O ATOM 1192 CB MET A 71 -30.838 -8.370 -11.385 1.00 14.03 C ATOM 1193 CG MET A 71 -29.435 -7.940 -11.782 1.00 51.15 C ATOM 1194 SD MET A 71 -28.545 -9.223 -12.684 1.00 53.53 S ATOM 1195 CE MET A 71 -27.378 -9.765 -11.438 1.00 1.21 C ATOM 0 H MET A 71 -31.200 -7.763 -14.423 1.00 24.51 H new ATOM 0 HA MET A 71 -31.528 -9.503 -13.076 1.00 3.10 H new ATOM 0 HB2 MET A 71 -31.263 -7.621 -10.717 1.00 14.03 H new ATOM 0 HB3 MET A 71 -30.778 -9.301 -10.822 1.00 14.03 H new ATOM 0 HG2 MET A 71 -29.495 -7.043 -12.398 1.00 51.15 H new ATOM 0 HG3 MET A 71 -28.873 -7.675 -10.886 1.00 51.15 H new ATOM 0 HE1 MET A 71 -26.753 -10.560 -11.846 1.00 1.21 H new ATOM 0 HE2 MET A 71 -26.749 -8.926 -11.139 1.00 1.21 H new ATOM 0 HE3 MET A 71 -27.920 -10.139 -10.570 1.00 1.21 H new ATOM 1205 N LEU A 72 -34.149 -8.196 -12.924 1.00 11.14 N ATOM 1206 CA LEU A 72 -35.567 -8.220 -12.579 1.00 42.41 C ATOM 1207 C LEU A 72 -36.129 -9.634 -12.682 1.00 44.24 C ATOM 1208 O LEU A 72 -35.822 -10.384 -13.609 1.00 51.22 O ATOM 1209 CB LEU A 72 -36.351 -7.279 -13.496 1.00 3.34 C ATOM 1210 CG LEU A 72 -37.870 -7.283 -13.322 1.00 11.25 C ATOM 1211 CD1 LEU A 72 -38.306 -6.149 -12.408 1.00 13.42 C ATOM 1212 CD2 LEU A 72 -38.561 -7.178 -14.673 1.00 2.40 C ATOM 0 H LEU A 72 -33.945 -7.805 -13.844 1.00 11.14 H new ATOM 0 HA LEU A 72 -35.670 -7.882 -11.548 1.00 42.41 H new ATOM 0 HB2 LEU A 72 -35.990 -6.263 -13.335 1.00 3.34 H new ATOM 0 HB3 LEU A 72 -36.123 -7.538 -14.530 1.00 3.34 H new ATOM 0 HG LEU A 72 -38.161 -8.226 -12.860 1.00 11.25 H new ATOM 0 HD11 LEU A 72 -39.390 -6.168 -12.296 1.00 13.42 H new ATOM 0 HD12 LEU A 72 -37.838 -6.269 -11.431 1.00 13.42 H new ATOM 0 HD13 LEU A 72 -38.003 -5.196 -12.841 1.00 13.42 H new ATOM 0 HD21 LEU A 72 -39.642 -7.182 -14.530 1.00 2.40 H new ATOM 0 HD22 LEU A 72 -38.263 -6.251 -15.163 1.00 2.40 H new ATOM 0 HD23 LEU A 72 -38.274 -8.026 -15.295 1.00 2.40 H new ATOM 1224 N PRO A 73 -36.975 -10.007 -11.711 1.00 54.22 N ATOM 1225 CA PRO A 73 -37.601 -11.332 -11.672 1.00 4.31 C ATOM 1226 C PRO A 73 -38.634 -11.518 -12.779 1.00 35.34 C ATOM 1227 O PRO A 73 -39.098 -10.559 -13.394 1.00 51.41 O ATOM 1228 CB PRO A 73 -38.276 -11.366 -10.299 1.00 22.14 C ATOM 1229 CG PRO A 73 -38.522 -9.936 -9.963 1.00 11.04 C ATOM 1230 CD PRO A 73 -37.386 -9.164 -10.575 1.00 43.12 C ATOM 0 HA PRO A 73 -36.875 -12.130 -11.824 1.00 4.31 H new ATOM 0 HB2 PRO A 73 -39.207 -11.931 -10.330 1.00 22.14 H new ATOM 0 HB3 PRO A 73 -37.638 -11.843 -9.556 1.00 22.14 H new ATOM 0 HG2 PRO A 73 -39.480 -9.601 -10.361 1.00 11.04 H new ATOM 0 HG3 PRO A 73 -38.556 -9.789 -8.883 1.00 11.04 H new ATOM 0 HD2 PRO A 73 -37.703 -8.174 -10.903 1.00 43.12 H new ATOM 0 HD3 PRO A 73 -36.571 -9.019 -9.866 1.00 43.12 H new ATOM 1238 N PRO A 74 -39.005 -12.781 -13.037 1.00 22.53 N ATOM 1239 CA PRO A 74 -39.988 -13.122 -14.068 1.00 45.44 C ATOM 1240 C PRO A 74 -41.399 -12.681 -13.693 1.00 45.12 C ATOM 1241 O PRO A 74 -42.225 -12.407 -14.563 1.00 75.53 O ATOM 1242 CB PRO A 74 -39.907 -14.648 -14.146 1.00 15.13 C ATOM 1243 CG PRO A 74 -39.411 -15.069 -12.806 1.00 11.32 C ATOM 1244 CD PRO A 74 -38.492 -13.974 -12.342 1.00 24.04 C ATOM 0 HA PRO A 74 -39.776 -12.622 -15.013 1.00 45.44 H new ATOM 0 HB2 PRO A 74 -40.881 -15.086 -14.363 1.00 15.13 H new ATOM 0 HB3 PRO A 74 -39.230 -14.969 -14.938 1.00 15.13 H new ATOM 0 HG2 PRO A 74 -40.238 -15.206 -12.109 1.00 11.32 H new ATOM 0 HG3 PRO A 74 -38.884 -16.021 -12.866 1.00 11.32 H new ATOM 0 HD2 PRO A 74 -38.525 -13.854 -11.259 1.00 24.04 H new ATOM 0 HD3 PRO A 74 -37.455 -14.180 -12.608 1.00 24.04 H new ATOM 1252 N GLU A 75 -41.666 -12.615 -12.393 1.00 10.22 N ATOM 1253 CA GLU A 75 -42.978 -12.208 -11.903 1.00 14.40 C ATOM 1254 C GLU A 75 -43.417 -10.896 -12.548 1.00 45.53 C ATOM 1255 O GLU A 75 -44.608 -10.653 -12.743 1.00 22.02 O ATOM 1256 CB GLU A 75 -42.955 -12.057 -10.381 1.00 73.23 C ATOM 1257 CG GLU A 75 -43.088 -13.376 -9.637 1.00 54.42 C ATOM 1258 CD GLU A 75 -43.341 -13.186 -8.154 1.00 55.32 C ATOM 1259 OE1 GLU A 75 -42.357 -13.065 -7.396 1.00 22.05 O ATOM 1260 OE2 GLU A 75 -44.523 -13.160 -7.751 1.00 2.51 O ATOM 0 H GLU A 75 -40.992 -12.838 -11.660 1.00 10.22 H new ATOM 0 HA GLU A 75 -43.694 -12.984 -12.173 1.00 14.40 H new ATOM 0 HB2 GLU A 75 -42.023 -11.575 -10.086 1.00 73.23 H new ATOM 0 HB3 GLU A 75 -43.766 -11.395 -10.078 1.00 73.23 H new ATOM 0 HG2 GLU A 75 -43.905 -13.952 -10.070 1.00 54.42 H new ATOM 0 HG3 GLU A 75 -42.178 -13.960 -9.775 1.00 54.42 H new ATOM 1267 N LYS A 76 -42.444 -10.052 -12.877 1.00 1.23 N ATOM 1268 CA LYS A 76 -42.727 -8.764 -13.501 1.00 24.35 C ATOM 1269 C LYS A 76 -42.337 -8.777 -14.975 1.00 20.10 C ATOM 1270 O LYS A 76 -41.935 -9.809 -15.512 1.00 10.22 O ATOM 1271 CB LYS A 76 -41.976 -7.646 -12.773 1.00 53.14 C ATOM 1272 CG LYS A 76 -42.310 -7.552 -11.294 1.00 12.40 C ATOM 1273 CD LYS A 76 -43.497 -6.635 -11.048 1.00 72.54 C ATOM 1274 CE LYS A 76 -44.096 -6.859 -9.668 1.00 25.21 C ATOM 1275 NZ LYS A 76 -43.416 -6.037 -8.629 1.00 21.34 N ATOM 0 H LYS A 76 -41.453 -10.237 -12.722 1.00 1.23 H new ATOM 0 HA LYS A 76 -43.799 -8.580 -13.429 1.00 24.35 H new ATOM 0 HB2 LYS A 76 -40.904 -7.807 -12.885 1.00 53.14 H new ATOM 0 HB3 LYS A 76 -42.207 -6.694 -13.250 1.00 53.14 H new ATOM 0 HG2 LYS A 76 -42.531 -8.546 -10.906 1.00 12.40 H new ATOM 0 HG3 LYS A 76 -41.443 -7.181 -10.747 1.00 12.40 H new ATOM 0 HD2 LYS A 76 -43.182 -5.596 -11.145 1.00 72.54 H new ATOM 0 HD3 LYS A 76 -44.258 -6.810 -11.809 1.00 72.54 H new ATOM 0 HE2 LYS A 76 -45.158 -6.613 -9.688 1.00 25.21 H new ATOM 0 HE3 LYS A 76 -44.018 -7.914 -9.405 1.00 25.21 H new ATOM 0 HZ1 LYS A 76 -43.853 -6.218 -7.703 1.00 21.34 H new ATOM 0 HZ2 LYS A 76 -42.408 -6.289 -8.592 1.00 21.34 H new ATOM 0 HZ3 LYS A 76 -43.512 -5.029 -8.866 1.00 21.34 H new ATOM 1289 N ALA A 77 -42.457 -7.623 -15.624 1.00 12.34 N ATOM 1290 CA ALA A 77 -42.115 -7.501 -17.035 1.00 45.22 C ATOM 1291 C ALA A 77 -41.683 -6.079 -17.375 1.00 12.54 C ATOM 1292 O ALA A 77 -42.132 -5.118 -16.747 1.00 50.24 O ATOM 1293 CB ALA A 77 -43.293 -7.918 -17.903 1.00 32.42 C ATOM 0 H ALA A 77 -42.789 -6.759 -15.194 1.00 12.34 H new ATOM 0 HA ALA A 77 -41.276 -8.166 -17.237 1.00 45.22 H new ATOM 0 HB1 ALA A 77 -43.022 -7.821 -18.954 1.00 32.42 H new ATOM 0 HB2 ALA A 77 -43.554 -8.955 -17.689 1.00 32.42 H new ATOM 0 HB3 ALA A 77 -44.148 -7.277 -17.688 1.00 32.42 H new ATOM 1299 N ILE A 78 -40.811 -5.951 -18.368 1.00 64.10 N ATOM 1300 CA ILE A 78 -40.320 -4.644 -18.790 1.00 42.13 C ATOM 1301 C ILE A 78 -40.137 -4.588 -20.303 1.00 53.10 C ATOM 1302 O ILE A 78 -39.861 -5.602 -20.944 1.00 53.13 O ATOM 1303 CB ILE A 78 -38.982 -4.299 -18.109 1.00 63.14 C ATOM 1304 CG1 ILE A 78 -39.099 -4.463 -16.593 1.00 72.21 C ATOM 1305 CG2 ILE A 78 -38.558 -2.882 -18.464 1.00 4.13 C ATOM 1306 CD1 ILE A 78 -37.782 -4.305 -15.865 1.00 52.01 C ATOM 0 H ILE A 78 -40.429 -6.736 -18.896 1.00 64.10 H new ATOM 0 HA ILE A 78 -41.070 -3.913 -18.490 1.00 42.13 H new ATOM 0 HB ILE A 78 -38.218 -4.987 -18.471 1.00 63.14 H new ATOM 0 HG12 ILE A 78 -39.807 -3.728 -16.210 1.00 72.21 H new ATOM 0 HG13 ILE A 78 -39.511 -5.448 -16.373 1.00 72.21 H new ATOM 0 HG21 ILE A 78 -37.611 -2.652 -17.976 1.00 4.13 H new ATOM 0 HG22 ILE A 78 -38.439 -2.798 -19.544 1.00 4.13 H new ATOM 0 HG23 ILE A 78 -39.320 -2.179 -18.127 1.00 4.13 H new ATOM 0 HD11 ILE A 78 -37.940 -4.434 -14.794 1.00 52.01 H new ATOM 0 HD12 ILE A 78 -37.077 -5.057 -16.221 1.00 52.01 H new ATOM 0 HD13 ILE A 78 -37.378 -3.310 -16.055 1.00 52.01 H new ATOM 1318 N PHE A 79 -40.292 -3.395 -20.869 1.00 30.44 N ATOM 1319 CA PHE A 79 -40.143 -3.205 -22.306 1.00 73.43 C ATOM 1320 C PHE A 79 -39.371 -1.924 -22.609 1.00 62.12 C ATOM 1321 O PHE A 79 -39.426 -0.959 -21.846 1.00 72.53 O ATOM 1322 CB PHE A 79 -41.516 -3.159 -22.980 1.00 44.31 C ATOM 1323 CG PHE A 79 -42.613 -2.682 -22.073 1.00 75.13 C ATOM 1324 CD1 PHE A 79 -43.292 -3.573 -21.257 1.00 20.21 C ATOM 1325 CD2 PHE A 79 -42.966 -1.342 -22.036 1.00 32.35 C ATOM 1326 CE1 PHE A 79 -44.303 -3.137 -20.422 1.00 25.24 C ATOM 1327 CE2 PHE A 79 -43.976 -0.900 -21.201 1.00 75.15 C ATOM 1328 CZ PHE A 79 -44.644 -1.799 -20.393 1.00 11.52 C ATOM 0 H PHE A 79 -40.521 -2.545 -20.353 1.00 30.44 H new ATOM 0 HA PHE A 79 -39.579 -4.049 -22.703 1.00 73.43 H new ATOM 0 HB2 PHE A 79 -41.463 -2.503 -23.849 1.00 44.31 H new ATOM 0 HB3 PHE A 79 -41.766 -4.155 -23.346 1.00 44.31 H new ATOM 0 HD1 PHE A 79 -43.028 -4.620 -21.274 1.00 20.21 H new ATOM 0 HD2 PHE A 79 -42.447 -0.635 -22.666 1.00 32.35 H new ATOM 0 HE1 PHE A 79 -44.826 -3.842 -19.793 1.00 25.24 H new ATOM 0 HE2 PHE A 79 -44.242 0.147 -21.181 1.00 75.15 H new ATOM 0 HZ PHE A 79 -45.432 -1.456 -19.739 1.00 11.52 H new ATOM 1338 N ILE A 80 -38.653 -1.924 -23.727 1.00 41.21 N ATOM 1339 CA ILE A 80 -37.871 -0.762 -24.131 1.00 25.53 C ATOM 1340 C ILE A 80 -38.589 0.034 -25.215 1.00 1.13 C ATOM 1341 O ILE A 80 -39.143 -0.536 -26.155 1.00 20.01 O ATOM 1342 CB ILE A 80 -36.479 -1.173 -24.648 1.00 53.32 C ATOM 1343 CG1 ILE A 80 -35.893 -2.284 -23.773 1.00 2.40 C ATOM 1344 CG2 ILE A 80 -35.549 0.031 -24.679 1.00 41.30 C ATOM 1345 CD1 ILE A 80 -35.808 -1.917 -22.308 1.00 75.35 C ATOM 0 H ILE A 80 -38.597 -2.715 -24.369 1.00 41.21 H new ATOM 0 HA ILE A 80 -37.751 -0.138 -23.245 1.00 25.53 H new ATOM 0 HB ILE A 80 -36.583 -1.554 -25.664 1.00 53.32 H new ATOM 0 HG12 ILE A 80 -36.504 -3.180 -23.880 1.00 2.40 H new ATOM 0 HG13 ILE A 80 -34.896 -2.533 -24.135 1.00 2.40 H new ATOM 0 HG21 ILE A 80 -34.570 -0.275 -25.046 1.00 41.30 H new ATOM 0 HG22 ILE A 80 -35.962 0.793 -25.340 1.00 41.30 H new ATOM 0 HG23 ILE A 80 -35.448 0.439 -23.673 1.00 41.30 H new ATOM 0 HD11 ILE A 80 -35.384 -2.750 -21.748 1.00 75.35 H new ATOM 0 HD12 ILE A 80 -35.173 -1.039 -22.189 1.00 75.35 H new ATOM 0 HD13 ILE A 80 -36.806 -1.696 -21.930 1.00 75.35 H new ATOM 1357 N PHE A 81 -38.573 1.357 -25.079 1.00 73.53 N ATOM 1358 CA PHE A 81 -39.222 2.233 -26.047 1.00 73.44 C ATOM 1359 C PHE A 81 -38.336 3.429 -26.378 1.00 32.34 C ATOM 1360 O PHE A 81 -37.304 3.645 -25.743 1.00 23.02 O ATOM 1361 CB PHE A 81 -40.570 2.715 -25.507 1.00 51.43 C ATOM 1362 CG PHE A 81 -40.452 3.564 -24.274 1.00 4.22 C ATOM 1363 CD1 PHE A 81 -40.111 2.998 -23.057 1.00 33.14 C ATOM 1364 CD2 PHE A 81 -40.682 4.930 -24.333 1.00 22.44 C ATOM 1365 CE1 PHE A 81 -40.003 3.777 -21.920 1.00 50.22 C ATOM 1366 CE2 PHE A 81 -40.574 5.714 -23.200 1.00 21.34 C ATOM 1367 CZ PHE A 81 -40.233 5.137 -21.992 1.00 73.12 C ATOM 0 H PHE A 81 -38.118 1.845 -24.308 1.00 73.53 H new ATOM 0 HA PHE A 81 -39.388 1.663 -26.961 1.00 73.44 H new ATOM 0 HB2 PHE A 81 -41.081 3.285 -26.283 1.00 51.43 H new ATOM 0 HB3 PHE A 81 -41.194 1.849 -25.284 1.00 51.43 H new ATOM 0 HD1 PHE A 81 -39.927 1.936 -22.995 1.00 33.14 H new ATOM 0 HD2 PHE A 81 -40.949 5.386 -25.275 1.00 22.44 H new ATOM 0 HE1 PHE A 81 -39.739 3.323 -20.976 1.00 50.22 H new ATOM 0 HE2 PHE A 81 -40.756 6.777 -23.259 1.00 21.34 H new ATOM 0 HZ PHE A 81 -40.146 5.748 -21.106 1.00 73.12 H new ATOM 1377 N VAL A 82 -38.747 4.205 -27.376 1.00 22.44 N ATOM 1378 CA VAL A 82 -37.991 5.381 -27.791 1.00 74.32 C ATOM 1379 C VAL A 82 -38.922 6.503 -28.238 1.00 72.41 C ATOM 1380 O VAL A 82 -39.817 6.292 -29.057 1.00 22.33 O ATOM 1381 CB VAL A 82 -37.020 5.047 -28.940 1.00 31.54 C ATOM 1382 CG1 VAL A 82 -37.757 4.359 -30.079 1.00 22.10 C ATOM 1383 CG2 VAL A 82 -36.321 6.306 -29.428 1.00 14.41 C ATOM 0 H VAL A 82 -39.599 4.041 -27.912 1.00 22.44 H new ATOM 0 HA VAL A 82 -37.418 5.711 -26.925 1.00 74.32 H new ATOM 0 HB VAL A 82 -36.261 4.361 -28.564 1.00 31.54 H new ATOM 0 HG11 VAL A 82 -37.055 4.131 -30.881 1.00 22.10 H new ATOM 0 HG12 VAL A 82 -38.206 3.435 -29.716 1.00 22.10 H new ATOM 0 HG13 VAL A 82 -38.539 5.018 -30.457 1.00 22.10 H new ATOM 0 HG21 VAL A 82 -35.639 6.052 -30.239 1.00 14.41 H new ATOM 0 HG22 VAL A 82 -37.064 7.018 -29.788 1.00 14.41 H new ATOM 0 HG23 VAL A 82 -35.759 6.751 -28.607 1.00 14.41 H new ATOM 1393 N ASN A 83 -38.705 7.696 -27.694 1.00 61.25 N ATOM 1394 CA ASN A 83 -39.525 8.852 -28.037 1.00 11.41 C ATOM 1395 C ASN A 83 -41.009 8.532 -27.880 1.00 65.34 C ATOM 1396 O ASN A 83 -41.811 8.806 -28.774 1.00 31.42 O ATOM 1397 CB ASN A 83 -39.237 9.301 -29.471 1.00 3.40 C ATOM 1398 CG ASN A 83 -37.871 9.943 -29.612 1.00 64.01 C ATOM 1399 OD1 ASN A 83 -37.143 10.102 -28.632 1.00 2.33 O ATOM 1400 ND2 ASN A 83 -37.516 10.315 -30.836 1.00 1.11 N ATOM 0 H ASN A 83 -37.969 7.887 -27.014 1.00 61.25 H new ATOM 0 HA ASN A 83 -39.272 9.662 -27.353 1.00 11.41 H new ATOM 0 HB2 ASN A 83 -39.302 8.441 -30.138 1.00 3.40 H new ATOM 0 HB3 ASN A 83 -40.003 10.009 -29.788 1.00 3.40 H new ATOM 0 HD21 ASN A 83 -36.608 10.752 -30.993 1.00 1.11 H new ATOM 0 HD22 ASN A 83 -38.151 10.164 -31.619 1.00 1.11 H new ATOM 1407 N ASP A 84 -41.367 7.952 -26.740 1.00 4.14 N ATOM 1408 CA ASP A 84 -42.754 7.597 -26.465 1.00 41.21 C ATOM 1409 C ASP A 84 -43.284 6.625 -27.515 1.00 21.53 C ATOM 1410 O ASP A 84 -44.492 6.529 -27.735 1.00 35.23 O ATOM 1411 CB ASP A 84 -43.627 8.853 -26.427 1.00 62.33 C ATOM 1412 CG ASP A 84 -42.867 10.072 -25.945 1.00 21.22 C ATOM 1413 OD1 ASP A 84 -42.653 10.192 -24.720 1.00 23.24 O ATOM 1414 OD2 ASP A 84 -42.484 10.906 -26.792 1.00 0.14 O ATOM 0 H ASP A 84 -40.715 7.718 -25.991 1.00 4.14 H new ATOM 0 HA ASP A 84 -42.792 7.109 -25.491 1.00 41.21 H new ATOM 0 HB2 ASP A 84 -44.024 9.046 -27.424 1.00 62.33 H new ATOM 0 HB3 ASP A 84 -44.481 8.679 -25.772 1.00 62.33 H new ATOM 1419 N THR A 85 -42.372 5.906 -28.163 1.00 52.31 N ATOM 1420 CA THR A 85 -42.747 4.944 -29.191 1.00 14.23 C ATOM 1421 C THR A 85 -42.267 3.542 -28.834 1.00 1.33 C ATOM 1422 O THR A 85 -41.084 3.331 -28.559 1.00 51.55 O ATOM 1423 CB THR A 85 -42.172 5.337 -30.565 1.00 24.05 C ATOM 1424 OG1 THR A 85 -41.855 6.734 -30.583 1.00 34.53 O ATOM 1425 CG2 THR A 85 -43.161 5.022 -31.676 1.00 63.43 C ATOM 0 H THR A 85 -41.368 5.972 -27.993 1.00 52.31 H new ATOM 0 HA THR A 85 -43.836 4.949 -29.246 1.00 14.23 H new ATOM 0 HB THR A 85 -41.265 4.757 -30.733 1.00 24.05 H new ATOM 0 HG1 THR A 85 -40.954 6.870 -30.222 1.00 34.53 H new ATOM 0 HG21 THR A 85 -42.733 5.308 -32.637 1.00 63.43 H new ATOM 0 HG22 THR A 85 -43.377 3.954 -31.679 1.00 63.43 H new ATOM 0 HG23 THR A 85 -44.084 5.578 -31.510 1.00 63.43 H new ATOM 1433 N LEU A 86 -43.189 2.587 -28.838 1.00 74.12 N ATOM 1434 CA LEU A 86 -42.859 1.203 -28.514 1.00 54.21 C ATOM 1435 C LEU A 86 -43.112 0.289 -29.709 1.00 72.14 C ATOM 1436 O LEU A 86 -44.203 -0.254 -29.886 1.00 73.14 O ATOM 1437 CB LEU A 86 -43.680 0.730 -27.313 1.00 60.22 C ATOM 1438 CG LEU A 86 -43.302 -0.635 -26.737 1.00 44.14 C ATOM 1439 CD1 LEU A 86 -42.148 -0.500 -25.757 1.00 4.33 C ATOM 1440 CD2 LEU A 86 -44.503 -1.282 -26.064 1.00 3.31 C ATOM 0 H LEU A 86 -44.172 2.745 -29.062 1.00 74.12 H new ATOM 0 HA LEU A 86 -41.799 1.157 -28.263 1.00 54.21 H new ATOM 0 HB2 LEU A 86 -43.590 1.474 -26.521 1.00 60.22 H new ATOM 0 HB3 LEU A 86 -44.730 0.701 -27.605 1.00 60.22 H new ATOM 0 HG LEU A 86 -42.982 -1.277 -27.557 1.00 44.14 H new ATOM 0 HD11 LEU A 86 -41.893 -1.482 -25.358 1.00 4.33 H new ATOM 0 HD12 LEU A 86 -41.282 -0.081 -26.270 1.00 4.33 H new ATOM 0 HD13 LEU A 86 -42.440 0.160 -24.940 1.00 4.33 H new ATOM 0 HD21 LEU A 86 -44.215 -2.253 -25.660 1.00 3.31 H new ATOM 0 HD22 LEU A 86 -44.855 -0.642 -25.255 1.00 3.31 H new ATOM 0 HD23 LEU A 86 -45.301 -1.415 -26.794 1.00 3.31 H new ATOM 1452 N PRO A 87 -42.081 0.113 -30.549 1.00 54.10 N ATOM 1453 CA PRO A 87 -42.166 -0.738 -31.740 1.00 12.33 C ATOM 1454 C PRO A 87 -42.261 -2.219 -31.390 1.00 12.24 C ATOM 1455 O PRO A 87 -42.047 -2.626 -30.248 1.00 11.24 O ATOM 1456 CB PRO A 87 -40.858 -0.446 -32.479 1.00 10.44 C ATOM 1457 CG PRO A 87 -39.915 0.003 -31.415 1.00 44.44 C ATOM 1458 CD PRO A 87 -40.753 0.729 -30.400 1.00 4.54 C ATOM 0 HA PRO A 87 -43.060 -0.528 -32.327 1.00 12.33 H new ATOM 0 HB2 PRO A 87 -40.485 -1.334 -32.990 1.00 10.44 H new ATOM 0 HB3 PRO A 87 -40.995 0.325 -33.238 1.00 10.44 H new ATOM 0 HG2 PRO A 87 -39.403 -0.847 -30.963 1.00 44.44 H new ATOM 0 HG3 PRO A 87 -39.146 0.657 -31.826 1.00 44.44 H new ATOM 0 HD2 PRO A 87 -40.362 0.601 -29.391 1.00 4.54 H new ATOM 0 HD3 PRO A 87 -40.783 1.801 -30.597 1.00 4.54 H new ATOM 1466 N PRO A 88 -42.590 -3.045 -32.393 1.00 23.31 N ATOM 1467 CA PRO A 88 -42.719 -4.495 -32.215 1.00 4.55 C ATOM 1468 C PRO A 88 -41.375 -5.170 -31.968 1.00 54.11 C ATOM 1469 O PRO A 88 -40.319 -4.559 -32.136 1.00 53.41 O ATOM 1470 CB PRO A 88 -43.317 -4.963 -33.544 1.00 10.31 C ATOM 1471 CG PRO A 88 -42.900 -3.929 -34.533 1.00 22.43 C ATOM 1472 CD PRO A 88 -42.859 -2.629 -33.780 1.00 34.14 C ATOM 0 HA PRO A 88 -43.327 -4.747 -31.346 1.00 4.55 H new ATOM 0 HB2 PRO A 88 -42.943 -5.949 -33.821 1.00 10.31 H new ATOM 0 HB3 PRO A 88 -44.403 -5.039 -33.485 1.00 10.31 H new ATOM 0 HG2 PRO A 88 -41.924 -4.165 -34.957 1.00 22.43 H new ATOM 0 HG3 PRO A 88 -43.604 -3.877 -35.364 1.00 22.43 H new ATOM 0 HD2 PRO A 88 -42.079 -1.969 -34.160 1.00 34.14 H new ATOM 0 HD3 PRO A 88 -43.802 -2.088 -33.861 1.00 34.14 H new ATOM 1480 N THR A 89 -41.419 -6.437 -31.567 1.00 74.02 N ATOM 1481 CA THR A 89 -40.205 -7.197 -31.297 1.00 11.34 C ATOM 1482 C THR A 89 -39.427 -7.465 -32.579 1.00 64.22 C ATOM 1483 O THR A 89 -38.202 -7.356 -32.607 1.00 62.41 O ATOM 1484 CB THR A 89 -40.523 -8.539 -30.611 1.00 75.12 C ATOM 1485 OG1 THR A 89 -41.226 -9.397 -31.517 1.00 62.45 O ATOM 1486 CG2 THR A 89 -41.359 -8.323 -29.358 1.00 41.33 C ATOM 0 H THR A 89 -42.283 -6.959 -31.422 1.00 74.02 H new ATOM 0 HA THR A 89 -39.596 -6.591 -30.627 1.00 11.34 H new ATOM 0 HB THR A 89 -39.581 -9.007 -30.324 1.00 75.12 H new ATOM 0 HG1 THR A 89 -41.423 -10.249 -31.074 1.00 62.45 H new ATOM 0 HG21 THR A 89 -41.571 -9.285 -28.891 1.00 41.33 H new ATOM 0 HG22 THR A 89 -40.810 -7.693 -28.658 1.00 41.33 H new ATOM 0 HG23 THR A 89 -42.297 -7.836 -29.626 1.00 41.33 H new ATOM 1494 N ALA A 90 -40.146 -7.817 -33.639 1.00 53.25 N ATOM 1495 CA ALA A 90 -39.523 -8.099 -34.926 1.00 43.41 C ATOM 1496 C ALA A 90 -38.697 -6.910 -35.408 1.00 62.52 C ATOM 1497 O ALA A 90 -37.770 -7.068 -36.203 1.00 34.41 O ATOM 1498 CB ALA A 90 -40.582 -8.461 -35.958 1.00 4.41 C ATOM 0 H ALA A 90 -41.161 -7.914 -33.632 1.00 53.25 H new ATOM 0 HA ALA A 90 -38.851 -8.948 -34.798 1.00 43.41 H new ATOM 0 HB1 ALA A 90 -40.102 -8.669 -36.914 1.00 4.41 H new ATOM 0 HB2 ALA A 90 -41.127 -9.345 -35.626 1.00 4.41 H new ATOM 0 HB3 ALA A 90 -41.276 -7.629 -36.074 1.00 4.41 H new ATOM 1504 N ALA A 91 -39.040 -5.722 -34.923 1.00 42.01 N ATOM 1505 CA ALA A 91 -38.328 -4.508 -35.303 1.00 11.21 C ATOM 1506 C ALA A 91 -36.823 -4.675 -35.127 1.00 0.41 C ATOM 1507 O ALA A 91 -36.340 -4.910 -34.018 1.00 44.10 O ATOM 1508 CB ALA A 91 -38.830 -3.325 -34.487 1.00 22.11 C ATOM 0 H ALA A 91 -39.806 -5.574 -34.266 1.00 42.01 H new ATOM 0 HA ALA A 91 -38.524 -4.317 -36.358 1.00 11.21 H new ATOM 0 HB1 ALA A 91 -38.290 -2.425 -34.781 1.00 22.11 H new ATOM 0 HB2 ALA A 91 -39.896 -3.184 -34.668 1.00 22.11 H new ATOM 0 HB3 ALA A 91 -38.664 -3.518 -33.427 1.00 22.11 H new ATOM 1514 N LEU A 92 -36.087 -4.553 -36.226 1.00 33.45 N ATOM 1515 CA LEU A 92 -34.635 -4.691 -36.192 1.00 60.22 C ATOM 1516 C LEU A 92 -33.977 -3.408 -35.696 1.00 31.55 C ATOM 1517 O LEU A 92 -34.362 -2.308 -36.090 1.00 22.22 O ATOM 1518 CB LEU A 92 -34.104 -5.044 -37.584 1.00 35.14 C ATOM 1519 CG LEU A 92 -32.983 -6.082 -37.632 1.00 32.24 C ATOM 1520 CD1 LEU A 92 -31.683 -5.488 -37.113 1.00 41.15 C ATOM 1521 CD2 LEU A 92 -33.365 -7.317 -36.827 1.00 53.14 C ATOM 0 H LEU A 92 -36.471 -4.359 -37.151 1.00 33.45 H new ATOM 0 HA LEU A 92 -34.388 -5.496 -35.500 1.00 60.22 H new ATOM 0 HB2 LEU A 92 -34.936 -5.409 -38.186 1.00 35.14 H new ATOM 0 HB3 LEU A 92 -33.746 -4.130 -38.057 1.00 35.14 H new ATOM 0 HG LEU A 92 -32.834 -6.380 -38.670 1.00 32.24 H new ATOM 0 HD11 LEU A 92 -30.896 -6.241 -37.155 1.00 41.15 H new ATOM 0 HD12 LEU A 92 -31.401 -4.635 -37.730 1.00 41.15 H new ATOM 0 HD13 LEU A 92 -31.818 -5.161 -36.082 1.00 41.15 H new ATOM 0 HD21 LEU A 92 -32.555 -8.045 -36.872 1.00 53.14 H new ATOM 0 HD22 LEU A 92 -33.542 -7.035 -35.789 1.00 53.14 H new ATOM 0 HD23 LEU A 92 -34.272 -7.756 -37.243 1.00 53.14 H new ATOM 1533 N MET A 93 -32.981 -3.558 -34.828 1.00 42.20 N ATOM 1534 CA MET A 93 -32.266 -2.411 -34.280 1.00 32.31 C ATOM 1535 C MET A 93 -31.680 -1.551 -35.395 1.00 61.23 C ATOM 1536 O MET A 93 -31.766 -0.325 -35.356 1.00 41.44 O ATOM 1537 CB MET A 93 -31.152 -2.878 -33.341 1.00 14.21 C ATOM 1538 CG MET A 93 -31.623 -3.128 -31.916 1.00 42.55 C ATOM 1539 SD MET A 93 -32.115 -1.612 -31.072 1.00 34.11 S ATOM 1540 CE MET A 93 -31.351 -1.855 -29.470 1.00 55.24 C ATOM 0 H MET A 93 -32.651 -4.462 -34.489 1.00 42.20 H new ATOM 0 HA MET A 93 -32.977 -1.807 -33.716 1.00 32.31 H new ATOM 0 HB2 MET A 93 -30.715 -3.795 -33.737 1.00 14.21 H new ATOM 0 HB3 MET A 93 -30.361 -2.128 -33.327 1.00 14.21 H new ATOM 0 HG2 MET A 93 -32.465 -3.820 -31.932 1.00 42.55 H new ATOM 0 HG3 MET A 93 -30.824 -3.610 -31.353 1.00 42.55 H new ATOM 0 HE1 MET A 93 -31.748 -1.126 -28.763 1.00 55.24 H new ATOM 0 HE2 MET A 93 -31.568 -2.862 -29.113 1.00 55.24 H new ATOM 0 HE3 MET A 93 -30.272 -1.725 -29.558 1.00 55.24 H new ATOM 1550 N SER A 94 -31.083 -2.204 -36.388 1.00 34.22 N ATOM 1551 CA SER A 94 -30.478 -1.500 -37.511 1.00 40.34 C ATOM 1552 C SER A 94 -31.483 -0.554 -38.164 1.00 61.52 C ATOM 1553 O SER A 94 -31.106 0.449 -38.768 1.00 24.34 O ATOM 1554 CB SER A 94 -29.954 -2.498 -38.545 1.00 74.13 C ATOM 1555 OG SER A 94 -29.469 -1.832 -39.697 1.00 60.45 O ATOM 0 H SER A 94 -31.006 -3.220 -36.437 1.00 34.22 H new ATOM 0 HA SER A 94 -29.643 -0.911 -37.131 1.00 40.34 H new ATOM 0 HB2 SER A 94 -29.157 -3.097 -38.105 1.00 74.13 H new ATOM 0 HB3 SER A 94 -30.751 -3.186 -38.827 1.00 74.13 H new ATOM 0 HG SER A 94 -29.139 -2.492 -40.342 1.00 60.45 H new ATOM 1561 N ALA A 95 -32.764 -0.884 -38.038 1.00 30.35 N ATOM 1562 CA ALA A 95 -33.823 -0.065 -38.612 1.00 55.22 C ATOM 1563 C ALA A 95 -34.263 1.025 -37.641 1.00 30.25 C ATOM 1564 O ALA A 95 -34.372 2.194 -38.013 1.00 62.21 O ATOM 1565 CB ALA A 95 -35.009 -0.935 -39.004 1.00 11.34 C ATOM 0 H ALA A 95 -33.093 -1.713 -37.543 1.00 30.35 H new ATOM 0 HA ALA A 95 -33.429 0.419 -39.506 1.00 55.22 H new ATOM 0 HB1 ALA A 95 -35.793 -0.310 -39.432 1.00 11.34 H new ATOM 0 HB2 ALA A 95 -34.691 -1.673 -39.740 1.00 11.34 H new ATOM 0 HB3 ALA A 95 -35.393 -1.446 -38.121 1.00 11.34 H new ATOM 1571 N ILE A 96 -34.515 0.635 -36.395 1.00 43.45 N ATOM 1572 CA ILE A 96 -34.942 1.581 -35.372 1.00 22.22 C ATOM 1573 C ILE A 96 -33.870 2.636 -35.116 1.00 53.21 C ATOM 1574 O ILE A 96 -34.158 3.833 -35.091 1.00 22.41 O ATOM 1575 CB ILE A 96 -35.269 0.866 -34.047 1.00 11.03 C ATOM 1576 CG1 ILE A 96 -36.261 -0.273 -34.289 1.00 22.43 C ATOM 1577 CG2 ILE A 96 -35.826 1.856 -33.035 1.00 74.24 C ATOM 1578 CD1 ILE A 96 -37.627 0.199 -34.735 1.00 25.34 C ATOM 0 H ILE A 96 -34.431 -0.328 -36.071 1.00 43.45 H new ATOM 0 HA ILE A 96 -35.843 2.066 -35.747 1.00 22.22 H new ATOM 0 HB ILE A 96 -34.350 0.442 -33.643 1.00 11.03 H new ATOM 0 HG12 ILE A 96 -35.853 -0.945 -35.045 1.00 22.43 H new ATOM 0 HG13 ILE A 96 -36.367 -0.852 -33.372 1.00 22.43 H new ATOM 0 HG21 ILE A 96 -36.052 1.336 -32.104 1.00 74.24 H new ATOM 0 HG22 ILE A 96 -35.089 2.636 -32.845 1.00 74.24 H new ATOM 0 HG23 ILE A 96 -36.737 2.306 -33.430 1.00 74.24 H new ATOM 0 HD11 ILE A 96 -38.278 -0.662 -34.887 1.00 25.34 H new ATOM 0 HD12 ILE A 96 -38.056 0.847 -33.970 1.00 25.34 H new ATOM 0 HD13 ILE A 96 -37.533 0.753 -35.669 1.00 25.34 H new ATOM 1590 N TYR A 97 -32.636 2.184 -34.930 1.00 31.24 N ATOM 1591 CA TYR A 97 -31.520 3.088 -34.675 1.00 14.50 C ATOM 1592 C TYR A 97 -31.458 4.186 -35.734 1.00 22.44 C ATOM 1593 O TYR A 97 -31.268 5.359 -35.415 1.00 23.51 O ATOM 1594 CB TYR A 97 -30.203 2.313 -34.649 1.00 64.24 C ATOM 1595 CG TYR A 97 -28.981 3.191 -34.799 1.00 30.54 C ATOM 1596 CD1 TYR A 97 -28.487 3.521 -36.055 1.00 60.11 C ATOM 1597 CD2 TYR A 97 -28.319 3.689 -33.683 1.00 71.41 C ATOM 1598 CE1 TYR A 97 -27.371 4.322 -36.196 1.00 63.31 C ATOM 1599 CE2 TYR A 97 -27.202 4.491 -33.815 1.00 30.33 C ATOM 1600 CZ TYR A 97 -26.732 4.804 -35.073 1.00 43.50 C ATOM 1601 OH TYR A 97 -25.620 5.603 -35.208 1.00 65.11 O ATOM 0 H TYR A 97 -32.382 1.196 -34.951 1.00 31.24 H new ATOM 0 HA TYR A 97 -31.677 3.554 -33.702 1.00 14.50 H new ATOM 0 HB2 TYR A 97 -30.133 1.764 -33.710 1.00 64.24 H new ATOM 0 HB3 TYR A 97 -30.210 1.574 -35.450 1.00 64.24 H new ATOM 0 HD1 TYR A 97 -28.985 3.144 -36.937 1.00 60.11 H new ATOM 0 HD2 TYR A 97 -28.684 3.445 -32.696 1.00 71.41 H new ATOM 0 HE1 TYR A 97 -27.001 4.570 -37.180 1.00 63.31 H new ATOM 0 HE2 TYR A 97 -26.700 4.871 -32.938 1.00 30.33 H new ATOM 0 HH TYR A 97 -25.291 5.858 -34.321 1.00 65.11 H new ATOM 1611 N GLN A 98 -31.620 3.794 -36.994 1.00 31.44 N ATOM 1612 CA GLN A 98 -31.581 4.743 -38.099 1.00 3.41 C ATOM 1613 C GLN A 98 -32.805 5.653 -38.079 1.00 33.14 C ATOM 1614 O GLN A 98 -32.738 6.807 -38.498 1.00 55.14 O ATOM 1615 CB GLN A 98 -31.504 4.001 -39.434 1.00 73.34 C ATOM 1616 CG GLN A 98 -31.396 4.923 -40.638 1.00 35.50 C ATOM 1617 CD GLN A 98 -30.020 4.894 -41.273 1.00 2.24 C ATOM 1618 OE1 GLN A 98 -29.128 5.651 -40.885 1.00 33.20 O ATOM 1619 NE2 GLN A 98 -29.838 4.018 -42.254 1.00 41.23 N ATOM 0 H GLN A 98 -31.779 2.826 -37.274 1.00 31.44 H new ATOM 0 HA GLN A 98 -30.690 5.360 -37.983 1.00 3.41 H new ATOM 0 HB2 GLN A 98 -30.642 3.333 -39.420 1.00 73.34 H new ATOM 0 HB3 GLN A 98 -32.390 3.376 -39.544 1.00 73.34 H new ATOM 0 HG2 GLN A 98 -32.141 4.634 -41.380 1.00 35.50 H new ATOM 0 HG3 GLN A 98 -31.629 5.943 -40.332 1.00 35.50 H new ATOM 0 HE21 GLN A 98 -30.604 3.410 -42.544 1.00 41.23 H new ATOM 0 HE22 GLN A 98 -28.932 3.953 -42.718 1.00 41.23 H new ATOM 1628 N GLU A 99 -33.921 5.124 -37.588 1.00 73.32 N ATOM 1629 CA GLU A 99 -35.161 5.888 -37.515 1.00 11.15 C ATOM 1630 C GLU A 99 -35.057 6.993 -36.467 1.00 35.11 C ATOM 1631 O GLU A 99 -35.338 8.158 -36.748 1.00 40.41 O ATOM 1632 CB GLU A 99 -36.336 4.965 -37.185 1.00 11.33 C ATOM 1633 CG GLU A 99 -37.672 5.686 -37.107 1.00 64.13 C ATOM 1634 CD GLU A 99 -38.796 4.782 -36.638 1.00 14.12 C ATOM 1635 OE1 GLU A 99 -38.500 3.663 -36.169 1.00 23.22 O ATOM 1636 OE2 GLU A 99 -39.971 5.193 -36.740 1.00 2.34 O ATOM 0 H GLU A 99 -33.992 4.170 -37.235 1.00 73.32 H new ATOM 0 HA GLU A 99 -35.333 6.348 -38.488 1.00 11.15 H new ATOM 0 HB2 GLU A 99 -36.398 4.184 -37.943 1.00 11.33 H new ATOM 0 HB3 GLU A 99 -36.143 4.471 -36.233 1.00 11.33 H new ATOM 0 HG2 GLU A 99 -37.584 6.533 -36.427 1.00 64.13 H new ATOM 0 HG3 GLU A 99 -37.921 6.090 -38.089 1.00 64.13 H new ATOM 1643 N HIS A 100 -34.652 6.617 -35.258 1.00 52.32 N ATOM 1644 CA HIS A 100 -34.511 7.576 -34.167 1.00 61.20 C ATOM 1645 C HIS A 100 -33.068 8.057 -34.051 1.00 2.23 C ATOM 1646 O HIS A 100 -32.657 8.575 -33.012 1.00 53.43 O ATOM 1647 CB HIS A 100 -34.960 6.948 -32.848 1.00 22.13 C ATOM 1648 CG HIS A 100 -36.444 6.783 -32.737 1.00 32.32 C ATOM 1649 ND1 HIS A 100 -37.293 7.813 -32.387 1.00 62.22 N ATOM 1650 CD2 HIS A 100 -37.232 5.700 -32.934 1.00 45.01 C ATOM 1651 CE1 HIS A 100 -38.537 7.370 -32.373 1.00 24.14 C ATOM 1652 NE2 HIS A 100 -38.528 6.091 -32.701 1.00 24.55 N ATOM 0 H HIS A 100 -34.416 5.656 -35.009 1.00 52.32 H new ATOM 0 HA HIS A 100 -35.145 8.435 -34.386 1.00 61.20 H new ATOM 0 HB2 HIS A 100 -34.485 5.973 -32.739 1.00 22.13 H new ATOM 0 HB3 HIS A 100 -34.609 7.567 -32.022 1.00 22.13 H new ATOM 0 HD2 HIS A 100 -36.903 4.712 -33.221 1.00 45.01 H new ATOM 0 HE1 HIS A 100 -39.413 7.955 -32.134 1.00 24.14 H new ATOM 0 HE2 HIS A 100 -39.350 5.491 -32.770 1.00 24.55 H new ATOM 1660 N LYS A 101 -32.303 7.883 -35.123 1.00 33.44 N ATOM 1661 CA LYS A 101 -30.906 8.299 -35.141 1.00 65.15 C ATOM 1662 C LYS A 101 -30.777 9.785 -34.824 1.00 4.31 C ATOM 1663 O LYS A 101 -31.189 10.636 -35.612 1.00 5.42 O ATOM 1664 CB LYS A 101 -30.282 8.003 -36.507 1.00 70.44 C ATOM 1665 CG LYS A 101 -28.939 8.679 -36.723 1.00 12.12 C ATOM 1666 CD LYS A 101 -27.876 8.117 -35.795 1.00 34.31 C ATOM 1667 CE LYS A 101 -26.520 8.046 -36.479 1.00 4.05 C ATOM 1668 NZ LYS A 101 -26.480 6.987 -37.524 1.00 21.41 N ATOM 0 H LYS A 101 -32.627 7.457 -35.991 1.00 33.44 H new ATOM 0 HA LYS A 101 -30.375 7.734 -34.375 1.00 65.15 H new ATOM 0 HB2 LYS A 101 -30.158 6.925 -36.614 1.00 70.44 H new ATOM 0 HB3 LYS A 101 -30.971 8.324 -37.289 1.00 70.44 H new ATOM 0 HG2 LYS A 101 -28.626 8.546 -37.759 1.00 12.12 H new ATOM 0 HG3 LYS A 101 -29.039 9.751 -36.555 1.00 12.12 H new ATOM 0 HD2 LYS A 101 -27.803 8.741 -34.904 1.00 34.31 H new ATOM 0 HD3 LYS A 101 -28.170 7.121 -35.464 1.00 34.31 H new ATOM 0 HE2 LYS A 101 -26.291 9.011 -36.931 1.00 4.05 H new ATOM 0 HE3 LYS A 101 -25.748 7.851 -35.735 1.00 4.05 H new ATOM 0 HZ1 LYS A 101 -25.710 7.188 -38.193 1.00 21.41 H new ATOM 0 HZ2 LYS A 101 -26.317 6.063 -37.076 1.00 21.41 H new ATOM 0 HZ3 LYS A 101 -27.386 6.969 -38.035 1.00 21.41 H new ATOM 1682 N ASP A 102 -30.201 10.091 -33.666 1.00 72.12 N ATOM 1683 CA ASP A 102 -30.015 11.474 -33.246 1.00 1.32 C ATOM 1684 C ASP A 102 -29.192 12.248 -34.271 1.00 54.43 C ATOM 1685 O ASP A 102 -28.457 11.660 -35.065 1.00 24.12 O ATOM 1686 CB ASP A 102 -29.330 11.527 -31.879 1.00 51.41 C ATOM 1687 CG ASP A 102 -29.075 12.948 -31.414 1.00 74.12 C ATOM 1688 OD1 ASP A 102 -30.012 13.772 -31.483 1.00 64.55 O ATOM 1689 OD2 ASP A 102 -27.939 13.236 -30.982 1.00 2.42 O ATOM 0 H ASP A 102 -29.855 9.399 -33.002 1.00 72.12 H new ATOM 0 HA ASP A 102 -30.998 11.939 -33.170 1.00 1.32 H new ATOM 0 HB2 ASP A 102 -29.951 11.013 -31.145 1.00 51.41 H new ATOM 0 HB3 ASP A 102 -28.384 10.989 -31.929 1.00 51.41 H new ATOM 1694 N LYS A 103 -29.323 13.570 -34.251 1.00 2.52 N ATOM 1695 CA LYS A 103 -28.592 14.426 -35.178 1.00 53.14 C ATOM 1696 C LYS A 103 -27.101 14.427 -34.858 1.00 72.11 C ATOM 1697 O LYS A 103 -26.289 14.921 -35.641 1.00 14.12 O ATOM 1698 CB LYS A 103 -29.138 15.855 -35.124 1.00 4.23 C ATOM 1699 CG LYS A 103 -30.640 15.941 -35.329 1.00 43.41 C ATOM 1700 CD LYS A 103 -31.076 17.356 -35.673 1.00 30.02 C ATOM 1701 CE LYS A 103 -32.355 17.360 -36.495 1.00 51.33 C ATOM 1702 NZ LYS A 103 -32.078 17.233 -37.953 1.00 23.42 N ATOM 0 H LYS A 103 -29.929 14.072 -33.602 1.00 2.52 H new ATOM 0 HA LYS A 103 -28.729 14.029 -36.184 1.00 53.14 H new ATOM 0 HB2 LYS A 103 -28.886 16.295 -34.159 1.00 4.23 H new ATOM 0 HB3 LYS A 103 -28.641 16.454 -35.887 1.00 4.23 H new ATOM 0 HG2 LYS A 103 -30.938 15.263 -36.129 1.00 43.41 H new ATOM 0 HG3 LYS A 103 -31.151 15.612 -34.424 1.00 43.41 H new ATOM 0 HD2 LYS A 103 -31.230 17.924 -34.755 1.00 30.02 H new ATOM 0 HD3 LYS A 103 -30.283 17.857 -36.229 1.00 30.02 H new ATOM 0 HE2 LYS A 103 -32.995 16.538 -36.174 1.00 51.33 H new ATOM 0 HE3 LYS A 103 -32.904 18.283 -36.309 1.00 51.33 H new ATOM 0 HZ1 LYS A 103 -32.975 17.240 -38.479 1.00 23.42 H new ATOM 0 HZ2 LYS A 103 -31.488 18.031 -38.265 1.00 23.42 H new ATOM 0 HZ3 LYS A 103 -31.577 16.340 -38.135 1.00 23.42 H new ATOM 1716 N ASP A 104 -26.748 13.870 -33.705 1.00 23.10 N ATOM 1717 CA ASP A 104 -25.354 13.804 -33.283 1.00 40.23 C ATOM 1718 C ASP A 104 -24.782 12.408 -33.509 1.00 54.42 C ATOM 1719 O ASP A 104 -23.571 12.235 -33.636 1.00 31.53 O ATOM 1720 CB ASP A 104 -25.227 14.188 -31.808 1.00 60.52 C ATOM 1721 CG ASP A 104 -26.065 15.399 -31.451 1.00 10.33 C ATOM 1722 OD1 ASP A 104 -26.263 16.265 -32.330 1.00 30.31 O ATOM 1723 OD2 ASP A 104 -26.524 15.481 -30.292 1.00 42.42 O ATOM 0 H ASP A 104 -27.408 13.458 -33.046 1.00 23.10 H new ATOM 0 HA ASP A 104 -24.784 14.512 -33.885 1.00 40.23 H new ATOM 0 HB2 ASP A 104 -25.531 13.344 -31.188 1.00 60.52 H new ATOM 0 HB3 ASP A 104 -24.181 14.393 -31.578 1.00 60.52 H new ATOM 1728 N GLY A 105 -25.665 11.414 -33.559 1.00 21.35 N ATOM 1729 CA GLY A 105 -25.229 10.045 -33.768 1.00 43.14 C ATOM 1730 C GLY A 105 -25.725 9.107 -32.686 1.00 33.41 C ATOM 1731 O GLY A 105 -26.397 8.117 -32.973 1.00 65.44 O ATOM 0 H GLY A 105 -26.673 11.532 -33.459 1.00 21.35 H new ATOM 0 HA2 GLY A 105 -25.586 9.697 -34.737 1.00 43.14 H new ATOM 0 HA3 GLY A 105 -24.140 10.015 -33.800 1.00 43.14 H new ATOM 1735 N PHE A 106 -25.391 9.418 -31.438 1.00 74.33 N ATOM 1736 CA PHE A 106 -25.805 8.593 -30.308 1.00 61.31 C ATOM 1737 C PHE A 106 -27.305 8.315 -30.358 1.00 11.44 C ATOM 1738 O PHE A 106 -28.112 9.230 -30.535 1.00 44.11 O ATOM 1739 CB PHE A 106 -25.445 9.279 -28.989 1.00 62.02 C ATOM 1740 CG PHE A 106 -23.967 9.335 -28.727 1.00 53.02 C ATOM 1741 CD1 PHE A 106 -23.291 8.221 -28.258 1.00 63.23 C ATOM 1742 CD2 PHE A 106 -23.255 10.502 -28.948 1.00 51.41 C ATOM 1743 CE1 PHE A 106 -21.931 8.269 -28.016 1.00 23.20 C ATOM 1744 CE2 PHE A 106 -21.895 10.557 -28.709 1.00 3.21 C ATOM 1745 CZ PHE A 106 -21.232 9.439 -28.241 1.00 3.41 C ATOM 0 H PHE A 106 -24.835 10.235 -31.183 1.00 74.33 H new ATOM 0 HA PHE A 106 -25.275 7.643 -30.371 1.00 61.31 H new ATOM 0 HB2 PHE A 106 -25.844 10.294 -28.996 1.00 62.02 H new ATOM 0 HB3 PHE A 106 -25.932 8.751 -28.169 1.00 62.02 H new ATOM 0 HD1 PHE A 106 -23.833 7.304 -28.079 1.00 63.23 H new ATOM 0 HD2 PHE A 106 -23.769 11.380 -29.312 1.00 51.41 H new ATOM 0 HE1 PHE A 106 -21.415 7.393 -27.651 1.00 23.20 H new ATOM 0 HE2 PHE A 106 -21.351 11.473 -28.888 1.00 3.21 H new ATOM 0 HZ PHE A 106 -20.170 9.480 -28.051 1.00 3.41 H new ATOM 1755 N LEU A 107 -27.672 7.049 -30.201 1.00 22.03 N ATOM 1756 CA LEU A 107 -29.075 6.649 -30.228 1.00 11.34 C ATOM 1757 C LEU A 107 -29.754 6.957 -28.896 1.00 63.12 C ATOM 1758 O LEU A 107 -29.093 7.087 -27.866 1.00 51.23 O ATOM 1759 CB LEU A 107 -29.195 5.157 -30.541 1.00 41.44 C ATOM 1760 CG LEU A 107 -30.616 4.621 -30.722 1.00 2.04 C ATOM 1761 CD1 LEU A 107 -31.318 5.344 -31.861 1.00 72.03 C ATOM 1762 CD2 LEU A 107 -30.592 3.121 -30.973 1.00 75.23 C ATOM 0 H LEU A 107 -27.018 6.281 -30.054 1.00 22.03 H new ATOM 0 HA LEU A 107 -29.575 7.219 -31.011 1.00 11.34 H new ATOM 0 HB2 LEU A 107 -28.632 4.951 -31.451 1.00 41.44 H new ATOM 0 HB3 LEU A 107 -28.717 4.598 -29.737 1.00 41.44 H new ATOM 0 HG LEU A 107 -31.174 4.806 -29.804 1.00 2.04 H new ATOM 0 HD11 LEU A 107 -32.328 4.949 -31.975 1.00 72.03 H new ATOM 0 HD12 LEU A 107 -31.368 6.410 -31.639 1.00 72.03 H new ATOM 0 HD13 LEU A 107 -30.762 5.191 -32.786 1.00 72.03 H new ATOM 0 HD21 LEU A 107 -31.612 2.757 -31.099 1.00 75.23 H new ATOM 0 HD22 LEU A 107 -30.018 2.912 -31.876 1.00 75.23 H new ATOM 0 HD23 LEU A 107 -30.130 2.617 -30.124 1.00 75.23 H new ATOM 1774 N TYR A 108 -31.077 7.071 -28.926 1.00 74.51 N ATOM 1775 CA TYR A 108 -31.847 7.363 -27.723 1.00 32.44 C ATOM 1776 C TYR A 108 -32.807 6.223 -27.399 1.00 62.41 C ATOM 1777 O TYR A 108 -33.746 5.954 -28.148 1.00 62.43 O ATOM 1778 CB TYR A 108 -32.626 8.667 -27.895 1.00 13.51 C ATOM 1779 CG TYR A 108 -31.788 9.907 -27.678 1.00 4.50 C ATOM 1780 CD1 TYR A 108 -31.366 10.271 -26.405 1.00 71.23 C ATOM 1781 CD2 TYR A 108 -31.418 10.715 -28.747 1.00 31.44 C ATOM 1782 CE1 TYR A 108 -30.601 11.403 -26.203 1.00 31.21 C ATOM 1783 CE2 TYR A 108 -30.651 11.848 -28.554 1.00 32.44 C ATOM 1784 CZ TYR A 108 -30.246 12.188 -27.280 1.00 44.44 C ATOM 1785 OH TYR A 108 -29.482 13.316 -27.084 1.00 31.45 O ATOM 0 H TYR A 108 -31.639 6.966 -29.771 1.00 74.51 H new ATOM 0 HA TYR A 108 -31.148 7.471 -26.893 1.00 32.44 H new ATOM 0 HB2 TYR A 108 -33.051 8.697 -28.898 1.00 13.51 H new ATOM 0 HB3 TYR A 108 -33.461 8.676 -27.195 1.00 13.51 H new ATOM 0 HD1 TYR A 108 -31.641 9.658 -25.559 1.00 71.23 H new ATOM 0 HD2 TYR A 108 -31.735 10.453 -29.745 1.00 31.44 H new ATOM 0 HE1 TYR A 108 -30.282 11.672 -25.207 1.00 31.21 H new ATOM 0 HE2 TYR A 108 -30.370 12.464 -29.396 1.00 32.44 H new ATOM 0 HH TYR A 108 -29.320 13.755 -27.945 1.00 31.45 H new ATOM 1795 N VAL A 109 -32.564 5.554 -26.276 1.00 13.02 N ATOM 1796 CA VAL A 109 -33.407 4.443 -25.849 1.00 43.23 C ATOM 1797 C VAL A 109 -33.727 4.536 -24.362 1.00 74.44 C ATOM 1798 O VAL A 109 -32.921 5.025 -23.570 1.00 63.02 O ATOM 1799 CB VAL A 109 -32.735 3.087 -26.136 1.00 51.44 C ATOM 1800 CG1 VAL A 109 -32.799 2.763 -27.622 1.00 1.13 C ATOM 1801 CG2 VAL A 109 -31.296 3.091 -25.644 1.00 42.44 C ATOM 0 H VAL A 109 -31.790 5.762 -25.645 1.00 13.02 H new ATOM 0 HA VAL A 109 -34.333 4.509 -26.421 1.00 43.23 H new ATOM 0 HB VAL A 109 -33.277 2.311 -25.596 1.00 51.44 H new ATOM 0 HG11 VAL A 109 -32.319 1.802 -27.806 1.00 1.13 H new ATOM 0 HG12 VAL A 109 -33.841 2.715 -27.939 1.00 1.13 H new ATOM 0 HG13 VAL A 109 -32.283 3.540 -28.186 1.00 1.13 H new ATOM 0 HG21 VAL A 109 -30.837 2.125 -25.855 1.00 42.44 H new ATOM 0 HG22 VAL A 109 -30.739 3.877 -26.154 1.00 42.44 H new ATOM 0 HG23 VAL A 109 -31.279 3.274 -24.570 1.00 42.44 H new ATOM 1811 N THR A 110 -34.911 4.060 -23.986 1.00 72.41 N ATOM 1812 CA THR A 110 -35.339 4.089 -22.594 1.00 60.42 C ATOM 1813 C THR A 110 -36.016 2.781 -22.200 1.00 31.40 C ATOM 1814 O THR A 110 -36.656 2.129 -23.026 1.00 31.25 O ATOM 1815 CB THR A 110 -36.307 5.256 -22.327 1.00 73.32 C ATOM 1816 OG1 THR A 110 -36.924 5.099 -21.045 1.00 21.33 O ATOM 1817 CG2 THR A 110 -37.379 5.327 -23.404 1.00 62.14 C ATOM 0 H THR A 110 -35.590 3.650 -24.627 1.00 72.41 H new ATOM 0 HA THR A 110 -34.442 4.227 -21.991 1.00 60.42 H new ATOM 0 HB THR A 110 -35.734 6.183 -22.343 1.00 73.32 H new ATOM 0 HG1 THR A 110 -37.883 4.932 -21.162 1.00 21.33 H new ATOM 0 HG21 THR A 110 -38.051 6.159 -23.194 1.00 62.14 H new ATOM 0 HG22 THR A 110 -36.909 5.477 -24.376 1.00 62.14 H new ATOM 0 HG23 THR A 110 -37.946 4.396 -23.415 1.00 62.14 H new ATOM 1825 N TYR A 111 -35.873 2.403 -20.934 1.00 44.00 N ATOM 1826 CA TYR A 111 -36.470 1.172 -20.432 1.00 25.24 C ATOM 1827 C TYR A 111 -37.426 1.462 -19.279 1.00 73.30 C ATOM 1828 O TYR A 111 -37.113 2.242 -18.379 1.00 51.10 O ATOM 1829 CB TYR A 111 -35.380 0.202 -19.973 1.00 72.45 C ATOM 1830 CG TYR A 111 -34.748 0.580 -18.653 1.00 33.00 C ATOM 1831 CD1 TYR A 111 -33.874 1.656 -18.560 1.00 71.25 C ATOM 1832 CD2 TYR A 111 -35.028 -0.138 -17.496 1.00 4.53 C ATOM 1833 CE1 TYR A 111 -33.294 2.004 -17.356 1.00 50.40 C ATOM 1834 CE2 TYR A 111 -34.454 0.204 -16.287 1.00 1.51 C ATOM 1835 CZ TYR A 111 -33.587 1.276 -16.222 1.00 74.23 C ATOM 1836 OH TYR A 111 -33.014 1.621 -15.020 1.00 63.11 O ATOM 0 H TYR A 111 -35.349 2.932 -20.237 1.00 44.00 H new ATOM 0 HA TYR A 111 -37.036 0.715 -21.244 1.00 25.24 H new ATOM 0 HB2 TYR A 111 -35.807 -0.797 -19.888 1.00 72.45 H new ATOM 0 HB3 TYR A 111 -34.604 0.153 -20.737 1.00 72.45 H new ATOM 0 HD1 TYR A 111 -33.644 2.231 -19.445 1.00 71.25 H new ATOM 0 HD2 TYR A 111 -35.706 -0.977 -17.543 1.00 4.53 H new ATOM 0 HE1 TYR A 111 -32.615 2.842 -17.303 1.00 50.40 H new ATOM 0 HE2 TYR A 111 -34.682 -0.364 -15.397 1.00 1.51 H new ATOM 0 HH TYR A 111 -33.370 1.046 -14.311 1.00 63.11 H new ATOM 1846 N SER A 112 -38.593 0.826 -19.313 1.00 10.34 N ATOM 1847 CA SER A 112 -39.598 1.017 -18.273 1.00 50.10 C ATOM 1848 C SER A 112 -40.673 -0.063 -18.352 1.00 23.33 C ATOM 1849 O SER A 112 -40.768 -0.788 -19.340 1.00 72.10 O ATOM 1850 CB SER A 112 -40.238 2.400 -18.400 1.00 0.31 C ATOM 1851 OG SER A 112 -41.192 2.618 -17.375 1.00 61.13 O ATOM 0 H SER A 112 -38.866 0.174 -20.049 1.00 10.34 H new ATOM 0 HA SER A 112 -39.102 0.942 -17.305 1.00 50.10 H new ATOM 0 HB2 SER A 112 -39.465 3.167 -18.351 1.00 0.31 H new ATOM 0 HB3 SER A 112 -40.719 2.493 -19.374 1.00 0.31 H new ATOM 0 HG SER A 112 -41.585 3.510 -17.478 1.00 61.13 H new ATOM 1857 N GLY A 113 -41.481 -0.162 -17.301 1.00 12.31 N ATOM 1858 CA GLY A 113 -42.539 -1.155 -17.270 1.00 21.02 C ATOM 1859 C GLY A 113 -43.886 -0.579 -17.658 1.00 74.01 C ATOM 1860 O GLY A 113 -44.929 -1.135 -17.312 1.00 24.14 O ATOM 0 H GLY A 113 -41.422 0.427 -16.471 1.00 12.31 H new ATOM 0 HA2 GLY A 113 -42.287 -1.971 -17.948 1.00 21.02 H new ATOM 0 HA3 GLY A 113 -42.604 -1.581 -16.269 1.00 21.02 H new ATOM 1864 N GLU A 114 -43.865 0.538 -18.379 1.00 34.42 N ATOM 1865 CA GLU A 114 -45.095 1.190 -18.812 1.00 14.21 C ATOM 1866 C GLU A 114 -44.813 2.209 -19.912 1.00 54.15 C ATOM 1867 O GLU A 114 -43.860 2.981 -19.827 1.00 62.11 O ATOM 1868 CB GLU A 114 -45.778 1.877 -17.627 1.00 42.54 C ATOM 1869 CG GLU A 114 -44.809 2.568 -16.683 1.00 3.13 C ATOM 1870 CD GLU A 114 -45.505 3.505 -15.715 1.00 43.12 C ATOM 1871 OE1 GLU A 114 -45.957 4.583 -16.155 1.00 60.13 O ATOM 1872 OE2 GLU A 114 -45.596 3.161 -14.518 1.00 34.11 O ATOM 0 H GLU A 114 -43.010 1.010 -18.675 1.00 34.42 H new ATOM 0 HA GLU A 114 -45.760 0.425 -19.212 1.00 14.21 H new ATOM 0 HB2 GLU A 114 -46.490 2.611 -18.004 1.00 42.54 H new ATOM 0 HB3 GLU A 114 -46.350 1.136 -17.069 1.00 42.54 H new ATOM 0 HG2 GLU A 114 -44.257 1.815 -16.120 1.00 3.13 H new ATOM 0 HG3 GLU A 114 -44.079 3.130 -17.265 1.00 3.13 H new ATOM 1879 N ASN A 115 -45.650 2.202 -20.945 1.00 75.31 N ATOM 1880 CA ASN A 115 -45.490 3.124 -22.064 1.00 0.44 C ATOM 1881 C ASN A 115 -46.603 4.168 -22.071 1.00 34.10 C ATOM 1882 O ASN A 115 -46.924 4.742 -23.111 1.00 43.30 O ATOM 1883 CB ASN A 115 -45.486 2.358 -23.387 1.00 21.40 C ATOM 1884 CG ASN A 115 -44.971 3.197 -24.540 1.00 0.13 C ATOM 1885 OD1 ASN A 115 -45.699 3.478 -25.492 1.00 24.13 O ATOM 1886 ND2 ASN A 115 -43.708 3.601 -24.459 1.00 54.44 N ATOM 0 H ASN A 115 -46.445 1.569 -21.030 1.00 75.31 H new ATOM 0 HA ASN A 115 -44.535 3.637 -21.947 1.00 0.44 H new ATOM 0 HB2 ASN A 115 -44.867 1.466 -23.285 1.00 21.40 H new ATOM 0 HB3 ASN A 115 -46.498 2.020 -23.611 1.00 21.40 H new ATOM 0 HD21 ASN A 115 -43.305 4.168 -25.205 1.00 54.44 H new ATOM 0 HD22 ASN A 115 -43.141 3.344 -23.651 1.00 54.44 H new ATOM 1893 N THR A 116 -47.189 4.408 -20.902 1.00 51.50 N ATOM 1894 CA THR A 116 -48.266 5.382 -20.774 1.00 21.12 C ATOM 1895 C THR A 116 -47.901 6.476 -19.777 1.00 12.51 C ATOM 1896 O THR A 116 -46.762 6.557 -19.317 1.00 42.35 O ATOM 1897 CB THR A 116 -49.579 4.712 -20.325 1.00 42.45 C ATOM 1898 OG1 THR A 116 -49.474 4.294 -18.960 1.00 60.21 O ATOM 1899 CG2 THR A 116 -49.902 3.514 -21.204 1.00 63.50 C ATOM 0 H THR A 116 -46.936 3.942 -20.031 1.00 51.50 H new ATOM 0 HA THR A 116 -48.411 5.825 -21.759 1.00 21.12 H new ATOM 0 HB THR A 116 -50.384 5.440 -20.420 1.00 42.45 H new ATOM 0 HG1 THR A 116 -50.313 3.871 -18.682 1.00 60.21 H new ATOM 0 HG21 THR A 116 -50.833 3.057 -20.868 1.00 63.50 H new ATOM 0 HG22 THR A 116 -50.010 3.840 -22.238 1.00 63.50 H new ATOM 0 HG23 THR A 116 -49.095 2.785 -21.136 1.00 63.50 H new