USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 850 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 81 GLN :FLIP amide:sc= 1.1 F(o=0.68,f=1.4) USER MOD Set 1.2: A 122 TYR OH : rot 120:sc= 0.576 USER MOD Set 1.3: A 127 SER OG : rot 155:sc= -0.28 USER MOD Set 2.1: A 42 ASN :FLIP amide:sc= -2.49! C(o=-8.6!,f=-3.3!) USER MOD Set 2.2: A 120 TYR OH : rot 180:sc= -0.787 USER MOD Set 3.1: A 113 MET CE :methyl -119:sc= 0 (180deg=-0.00746) USER MOD Set 3.2: A 115 THR OG1 : rot 121:sc= 1.75 USER MOD Set 3.3: A 139 CYS SG : rot 67:sc= 0.93 USER MOD Set 4.1: A 93 CYS SG : rot 180:sc= 0.997 USER MOD Set 4.2: A 97 GLN :FLIP amide:sc= 1.19 F(o=-0.048!,f=2.2) USER MOD Set 5.1: A 69 HIS : no HE2:sc= -7.75! C(o=-9.6!,f=-13!) USER MOD Set 5.2: A 71 GLN :FLIP amide:sc= -1.81 F(o=-15!,f=-9.6) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0.852 (180deg=0.541) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0984 (180deg=-0.293) USER MOD Single : A 49 THR OG1 : rot 33:sc= 0.172 USER MOD Single : A 57 SER OG : rot 84:sc= 1.22 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= 0.249 (180deg=-4.19!) USER MOD Single : A 64 GLN :FLIP amide:sc= -1.15 F(o=-6.9!,f=-1.2) USER MOD Single : A 67 THR OG1 : rot 30:sc= -2.66! USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 73 SER OG : rot 180:sc= -1.45! USER MOD Single : A 76 ASN :FLIP amide:sc= -2! C(o=-3.9!,f=-2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -93:sc= -1.14! USER MOD Single : A 106 MET CE :methyl 148:sc= -0.611 (180deg=-4!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 175:sc= -0.548 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 122:sc= -1.6 USER MOD Single : A 125 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= 0.235 K(o=0.23,f=-1.4!) USER MOD Single : A 143 THR OG1 : rot 180:sc=-0.00794 USER MOD Single : A 145 LYS NZ :NH3+ -142:sc= 1.99 (180deg=1.36) USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.35 USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -8.213 1.722 2.196 1.00 0.53 N ATOM 490 CA TRP A 36 -7.199 2.765 2.276 1.00 0.45 C ATOM 491 C TRP A 36 -7.054 3.492 0.942 1.00 0.46 C ATOM 492 O TRP A 36 -7.929 3.425 0.079 1.00 0.52 O ATOM 493 CB TRP A 36 -5.839 2.183 2.626 1.00 0.38 C ATOM 494 CG TRP A 36 -5.833 1.151 3.707 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.727 0.988 4.730 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.842 0.137 3.870 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.356 -0.086 5.506 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.204 -0.624 4.995 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.688 -0.217 3.159 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.442 -1.698 5.434 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.943 -1.279 3.597 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.322 -2.016 4.718 1.00 0.19 C ATOM 0 HA TRP A 36 -7.525 3.457 3.053 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.411 1.742 1.726 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.181 2.999 2.925 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.594 1.609 4.902 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.857 -0.426 6.327 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.391 0.338 2.281 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.724 -2.262 6.310 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.044 -1.551 3.064 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.718 -2.856 5.027 1.00 0.19 H new ATOM 513 N LEU A 37 -5.926 4.169 0.785 1.00 0.43 N ATOM 514 CA LEU A 37 -5.612 4.859 -0.450 1.00 0.42 C ATOM 515 C LEU A 37 -5.054 3.888 -1.485 1.00 0.37 C ATOM 516 O LEU A 37 -3.959 3.341 -1.319 1.00 0.35 O ATOM 517 CB LEU A 37 -4.598 5.973 -0.186 1.00 0.45 C ATOM 518 CG LEU A 37 -4.253 6.852 -1.392 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.494 7.556 -1.922 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.188 7.868 -1.013 1.00 0.50 C ATOM 0 H LEU A 37 -5.210 4.253 1.506 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.531 5.294 -0.842 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.985 6.612 0.608 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.679 5.522 0.187 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.862 6.212 -2.183 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.224 8.174 -2.778 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.231 6.813 -2.229 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.918 8.185 -1.139 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.951 8.487 -1.878 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.559 8.500 -0.206 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.289 7.347 -0.683 1.00 0.50 H new ATOM 532 N ASP A 38 -5.828 3.658 -2.533 1.00 0.38 N ATOM 533 CA ASP A 38 -5.379 2.868 -3.665 1.00 0.41 C ATOM 534 C ASP A 38 -4.206 3.549 -4.361 1.00 0.39 C ATOM 535 O ASP A 38 -4.330 4.638 -4.920 1.00 0.44 O ATOM 536 CB ASP A 38 -6.534 2.638 -4.645 1.00 0.56 C ATOM 537 CG ASP A 38 -7.343 3.897 -4.911 1.00 1.78 C ATOM 538 OD1 ASP A 38 -8.318 4.142 -4.170 1.00 2.51 O ATOM 539 OD2 ASP A 38 -7.013 4.634 -5.860 1.00 2.14 O ATOM 0 H ASP A 38 -6.780 4.012 -2.622 1.00 0.38 H new ATOM 0 HA ASP A 38 -5.040 1.898 -3.300 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.135 2.263 -5.587 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -7.193 1.866 -4.248 1.00 0.56 H new ATOM 544 N ILE A 39 -3.062 2.889 -4.311 1.00 0.38 N ATOM 545 CA ILE A 39 -1.833 3.425 -4.875 1.00 0.38 C ATOM 546 C ILE A 39 -1.920 3.519 -6.393 1.00 0.39 C ATOM 547 O ILE A 39 -1.551 4.527 -6.991 1.00 0.46 O ATOM 548 CB ILE A 39 -0.625 2.556 -4.470 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.474 2.569 -2.944 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.654 3.027 -5.160 1.00 0.41 C ATOM 551 CD1 ILE A 39 0.798 1.925 -2.436 1.00 0.43 C ATOM 0 H ILE A 39 -2.958 1.970 -3.880 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.696 4.430 -4.475 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.802 1.531 -4.797 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.508 3.602 -2.597 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -1.328 2.056 -2.502 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.487 2.394 -4.854 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.529 2.964 -6.241 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.860 4.060 -4.878 1.00 0.41 H new ATOM 0 HD11 ILE A 39 0.823 1.978 -1.348 1.00 0.43 H new ATOM 0 HD12 ILE A 39 0.828 0.881 -2.749 1.00 0.43 H new ATOM 0 HD13 ILE A 39 1.661 2.451 -2.845 1.00 0.43 H new ATOM 563 N LEU A 40 -2.430 2.465 -7.006 1.00 0.39 N ATOM 564 CA LEU A 40 -2.562 2.417 -8.456 1.00 0.49 C ATOM 565 C LEU A 40 -4.030 2.465 -8.850 1.00 0.49 C ATOM 566 O LEU A 40 -4.389 2.227 -10.001 1.00 0.62 O ATOM 567 CB LEU A 40 -1.907 1.149 -9.007 1.00 0.56 C ATOM 568 CG LEU A 40 -0.406 1.028 -8.746 1.00 0.59 C ATOM 569 CD1 LEU A 40 0.121 -0.279 -9.312 1.00 0.62 C ATOM 570 CD2 LEU A 40 0.335 2.209 -9.352 1.00 0.72 C ATOM 0 H LEU A 40 -2.760 1.629 -6.524 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.056 3.283 -8.882 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.406 0.283 -8.573 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.077 1.109 -10.083 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.237 1.033 -7.669 1.00 0.59 H new ATOM 0 HD11 LEU A 40 1.191 -0.353 -9.120 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -0.392 -1.115 -8.836 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.057 -0.308 -10.387 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.403 2.107 -9.157 1.00 0.72 H new ATOM 0 HD22 LEU A 40 0.163 2.233 -10.428 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.029 3.135 -8.906 1.00 0.72 H new ATOM 582 N GLY A 41 -4.876 2.754 -7.870 1.00 0.43 N ATOM 583 CA GLY A 41 -6.306 2.825 -8.103 1.00 0.51 C ATOM 584 C GLY A 41 -6.935 1.457 -8.199 1.00 0.45 C ATOM 585 O GLY A 41 -8.145 1.324 -8.333 1.00 0.52 O ATOM 0 H GLY A 41 -4.594 2.942 -6.908 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.777 3.384 -7.294 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.496 3.376 -9.024 1.00 0.51 H new ATOM 589 N ASN A 42 -6.102 0.437 -8.108 1.00 0.39 N ATOM 590 CA ASN A 42 -6.548 -0.927 -8.297 1.00 0.42 C ATOM 591 C ASN A 42 -7.146 -1.533 -7.027 1.00 0.43 C ATOM 592 O ASN A 42 -7.882 -2.510 -7.098 1.00 0.56 O ATOM 593 CB ASN A 42 -5.399 -1.796 -8.828 1.00 0.49 C ATOM 594 CG ASN A 42 -4.107 -1.729 -8.012 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.187 -1.454 -6.722 1.00 0.95 O flip ATOM 596 ND2 ASN A 42 -3.025 -1.922 -8.549 1.00 0.44 N flip ATOM 0 H ASN A 42 -5.107 0.531 -7.903 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.348 -0.903 -9.037 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -5.734 -2.832 -8.865 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.180 -1.496 -9.853 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -2.981 -2.133 -9.546 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -2.167 -1.872 -8.000 1.00 0.44 H new ATOM 603 N GLY A 43 -6.810 -0.974 -5.866 1.00 0.40 N ATOM 604 CA GLY A 43 -7.343 -1.497 -4.613 1.00 0.50 C ATOM 605 C GLY A 43 -6.547 -2.680 -4.094 1.00 0.45 C ATOM 606 O GLY A 43 -6.560 -2.969 -2.902 1.00 0.72 O ATOM 0 H GLY A 43 -6.184 -0.175 -5.768 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -7.343 -0.706 -3.863 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.380 -1.797 -4.760 1.00 0.50 H new ATOM 610 N LEU A 44 -5.838 -3.350 -4.999 1.00 0.29 N ATOM 611 CA LEU A 44 -4.984 -4.480 -4.648 1.00 0.36 C ATOM 612 C LEU A 44 -3.809 -3.976 -3.849 1.00 0.25 C ATOM 613 O LEU A 44 -3.269 -4.656 -2.987 1.00 0.27 O ATOM 614 CB LEU A 44 -4.456 -5.168 -5.916 1.00 0.60 C ATOM 615 CG LEU A 44 -5.403 -6.151 -6.598 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.746 -5.504 -6.889 1.00 1.46 C ATOM 617 CD2 LEU A 44 -4.780 -6.679 -7.881 1.00 1.56 C ATOM 0 H LEU A 44 -5.840 -3.125 -5.994 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.566 -5.196 -4.068 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.187 -4.396 -6.637 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.539 -5.698 -5.660 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.572 -6.986 -5.918 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -7.401 -6.227 -7.375 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -7.201 -5.173 -5.955 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.602 -4.646 -7.546 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.466 -7.379 -8.357 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.582 -5.848 -8.558 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -3.845 -7.189 -7.649 1.00 1.56 H new ATOM 629 N LEU A 45 -3.415 -2.774 -4.193 1.00 0.23 N ATOM 630 CA LEU A 45 -2.270 -2.128 -3.595 1.00 0.22 C ATOM 631 C LEU A 45 -2.685 -0.814 -2.943 1.00 0.22 C ATOM 632 O LEU A 45 -3.116 0.116 -3.634 1.00 0.32 O ATOM 633 CB LEU A 45 -1.220 -1.920 -4.682 1.00 0.30 C ATOM 634 CG LEU A 45 -0.062 -0.985 -4.334 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.663 -1.461 -3.087 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.906 -0.889 -5.506 1.00 0.31 C ATOM 0 H LEU A 45 -3.884 -2.211 -4.902 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.845 -2.749 -2.807 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.806 -2.893 -4.949 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.719 -1.531 -5.570 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.470 0.005 -4.132 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.483 -0.779 -2.860 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.033 -1.484 -2.248 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.060 -2.462 -3.257 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.727 -0.220 -5.246 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.302 -1.879 -5.733 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.383 -0.499 -6.379 1.00 0.31 H new ATOM 648 N ARG A 46 -2.578 -0.751 -1.618 1.00 0.20 N ATOM 649 CA ARG A 46 -3.008 0.423 -0.853 1.00 0.22 C ATOM 650 C ARG A 46 -2.050 0.690 0.306 1.00 0.19 C ATOM 651 O ARG A 46 -1.573 -0.250 0.934 1.00 0.19 O ATOM 652 CB ARG A 46 -4.402 0.191 -0.277 1.00 0.25 C ATOM 653 CG ARG A 46 -5.384 -0.448 -1.244 1.00 0.36 C ATOM 654 CD ARG A 46 -6.740 -0.663 -0.597 1.00 0.37 C ATOM 655 NE ARG A 46 -6.641 -1.517 0.589 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.690 -1.989 1.263 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.922 -1.736 0.850 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.504 -2.726 2.350 1.00 0.99 N ATOM 0 H ARG A 46 -2.195 -1.504 -1.046 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.016 1.278 -1.528 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.316 -0.443 0.606 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.808 1.147 0.055 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.496 0.186 -2.123 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -4.988 -1.403 -1.588 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.168 0.300 -0.318 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.420 -1.117 -1.318 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.709 -1.767 0.921 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.074 -1.176 0.011 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.720 -2.101 1.371 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.558 -2.932 2.671 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.307 -3.087 2.865 1.00 0.99 H new ATOM 672 N LYS A 47 -1.800 1.961 0.611 1.00 0.20 N ATOM 673 CA LYS A 47 -0.939 2.327 1.741 1.00 0.17 C ATOM 674 C LYS A 47 -1.769 2.981 2.847 1.00 0.18 C ATOM 675 O LYS A 47 -2.609 3.839 2.572 1.00 0.22 O ATOM 676 CB LYS A 47 0.171 3.308 1.315 1.00 0.23 C ATOM 677 CG LYS A 47 1.275 3.448 2.363 1.00 0.25 C ATOM 678 CD LYS A 47 2.103 4.724 2.210 1.00 0.32 C ATOM 679 CE LYS A 47 1.313 5.975 2.592 1.00 0.20 C ATOM 680 NZ LYS A 47 2.203 7.131 2.924 1.00 0.35 N ATOM 0 H LYS A 47 -2.179 2.755 0.095 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.478 1.409 2.106 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.609 2.968 0.376 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.269 4.287 1.125 1.00 0.23 H new ATOM 0 HG2 LYS A 47 0.826 3.433 3.356 1.00 0.25 H new ATOM 0 HG3 LYS A 47 1.937 2.585 2.299 1.00 0.25 H new ATOM 0 HD2 LYS A 47 2.994 4.654 2.835 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.443 4.812 1.178 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.655 6.251 1.768 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.676 5.752 3.448 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.638 7.892 3.353 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 2.936 6.824 3.595 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.654 7.482 2.055 1.00 0.35 H new ATOM 694 N LYS A 48 -1.537 2.572 4.089 1.00 0.16 N ATOM 695 CA LYS A 48 -2.193 3.191 5.237 1.00 0.18 C ATOM 696 C LYS A 48 -1.153 3.691 6.230 1.00 0.17 C ATOM 697 O LYS A 48 -0.278 2.937 6.658 1.00 0.22 O ATOM 698 CB LYS A 48 -3.137 2.205 5.931 1.00 0.25 C ATOM 699 CG LYS A 48 -3.931 2.826 7.071 1.00 0.32 C ATOM 700 CD LYS A 48 -4.924 1.841 7.661 1.00 0.69 C ATOM 701 CE LYS A 48 -4.239 0.741 8.460 1.00 0.52 C ATOM 702 NZ LYS A 48 -3.535 1.277 9.654 1.00 1.07 N ATOM 0 H LYS A 48 -0.899 1.813 4.328 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.781 4.034 4.873 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.830 1.799 5.195 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.555 1.368 6.317 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -3.247 3.165 7.849 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.462 3.706 6.708 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -5.623 2.374 8.306 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.510 1.393 6.858 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -4.980 0.007 8.775 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.525 0.220 7.822 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -3.258 0.491 10.276 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -2.686 1.796 9.352 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -4.168 1.920 10.171 1.00 1.07 H new ATOM 716 N THR A 49 -1.254 4.956 6.598 1.00 0.18 N ATOM 717 CA THR A 49 -0.299 5.563 7.506 1.00 0.20 C ATOM 718 C THR A 49 -0.605 5.198 8.953 1.00 0.21 C ATOM 719 O THR A 49 -1.670 5.510 9.480 1.00 0.29 O ATOM 720 CB THR A 49 -0.272 7.097 7.348 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.598 7.627 7.446 1.00 0.33 O ATOM 722 CG2 THR A 49 0.332 7.494 6.012 1.00 0.25 C ATOM 0 H THR A 49 -1.992 5.585 6.280 1.00 0.18 H new ATOM 0 HA THR A 49 0.684 5.170 7.247 1.00 0.20 H new ATOM 0 HB THR A 49 0.345 7.507 8.148 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.121 7.086 8.074 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.340 8.580 5.925 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.353 7.118 5.948 1.00 0.25 H new ATOM 0 HG23 THR A 49 -0.263 7.069 5.203 1.00 0.25 H new ATOM 730 N LEU A 50 0.323 4.490 9.575 1.00 0.18 N ATOM 731 CA LEU A 50 0.268 4.257 11.006 1.00 0.21 C ATOM 732 C LEU A 50 0.679 5.554 11.669 1.00 0.23 C ATOM 733 O LEU A 50 0.022 6.069 12.571 1.00 0.28 O ATOM 734 CB LEU A 50 1.248 3.152 11.394 1.00 0.21 C ATOM 735 CG LEU A 50 1.328 1.990 10.407 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.556 1.153 10.694 1.00 0.21 C ATOM 737 CD2 LEU A 50 0.074 1.142 10.475 1.00 0.24 C ATOM 0 H LEU A 50 1.125 4.066 9.109 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.731 3.948 11.315 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.241 3.588 11.501 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.964 2.761 12.371 1.00 0.21 H new ATOM 0 HG LEU A 50 1.407 2.393 9.397 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.606 0.326 9.986 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.449 1.771 10.595 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.499 0.759 11.709 1.00 0.21 H new ATOM 0 HD21 LEU A 50 0.152 0.320 9.764 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.040 0.741 11.482 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -0.793 1.754 10.228 1.00 0.24 H new ATOM 749 N VAL A 51 1.794 6.059 11.173 1.00 0.23 N ATOM 750 CA VAL A 51 2.280 7.384 11.477 1.00 0.27 C ATOM 751 C VAL A 51 2.687 7.998 10.160 1.00 0.24 C ATOM 752 O VAL A 51 3.337 7.327 9.373 1.00 0.23 O ATOM 753 CB VAL A 51 3.505 7.339 12.399 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.045 8.735 12.674 1.00 0.36 C ATOM 755 CG2 VAL A 51 3.173 6.627 13.697 1.00 0.36 C ATOM 0 H VAL A 51 2.398 5.543 10.533 1.00 0.23 H new ATOM 0 HA VAL A 51 1.505 7.956 11.988 1.00 0.27 H new ATOM 0 HB VAL A 51 4.286 6.777 11.886 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.913 8.667 13.330 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.337 9.204 11.734 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.273 9.336 13.155 1.00 0.36 H new ATOM 0 HG21 VAL A 51 4.055 6.606 14.337 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.368 7.156 14.207 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.857 5.606 13.482 1.00 0.36 H new ATOM 765 N PRO A 52 2.250 9.221 9.857 1.00 0.29 N ATOM 766 CA PRO A 52 2.541 9.877 8.596 1.00 0.32 C ATOM 767 C PRO A 52 3.532 11.040 8.716 1.00 0.34 C ATOM 768 O PRO A 52 3.196 12.198 8.443 1.00 0.54 O ATOM 769 CB PRO A 52 1.144 10.356 8.253 1.00 0.41 C ATOM 770 CG PRO A 52 0.564 10.786 9.575 1.00 0.46 C ATOM 771 CD PRO A 52 1.336 10.044 10.650 1.00 0.37 C ATOM 0 HA PRO A 52 3.028 9.240 7.858 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.170 11.182 7.542 1.00 0.41 H new ATOM 0 HB3 PRO A 52 0.552 9.562 7.798 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.656 11.864 9.706 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.499 10.548 9.627 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.871 10.725 11.312 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.682 9.438 11.277 1.00 0.37 H new ATOM 779 N GLY A 53 4.751 10.709 9.118 1.00 0.24 N ATOM 780 CA GLY A 53 5.820 11.680 9.195 1.00 0.28 C ATOM 781 C GLY A 53 5.617 12.727 10.278 1.00 0.29 C ATOM 782 O GLY A 53 4.553 12.797 10.906 1.00 0.55 O ATOM 0 H GLY A 53 5.020 9.766 9.397 1.00 0.24 H new ATOM 0 HA2 GLY A 53 6.760 11.159 9.377 1.00 0.28 H new ATOM 0 HA3 GLY A 53 5.915 12.180 8.231 1.00 0.28 H new ATOM 821 N SER A 57 8.331 16.655 6.831 1.00 0.52 N ATOM 822 CA SER A 57 9.099 15.587 6.233 1.00 0.40 C ATOM 823 C SER A 57 9.234 15.784 4.722 1.00 0.34 C ATOM 824 O SER A 57 8.856 16.826 4.180 1.00 0.43 O ATOM 825 CB SER A 57 8.405 14.264 6.534 1.00 0.40 C ATOM 826 OG SER A 57 6.997 14.428 6.530 1.00 0.99 O ATOM 0 HA SER A 57 10.104 15.587 6.654 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.692 13.519 5.792 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.730 13.889 7.504 1.00 0.40 H new ATOM 0 HG SER A 57 6.663 14.367 5.611 1.00 0.99 H new ATOM 832 N SER A 58 9.775 14.780 4.054 1.00 0.28 N ATOM 833 CA SER A 58 9.919 14.800 2.612 1.00 0.30 C ATOM 834 C SER A 58 9.721 13.385 2.095 1.00 0.27 C ATOM 835 O SER A 58 9.950 12.431 2.828 1.00 0.38 O ATOM 836 CB SER A 58 11.306 15.328 2.225 1.00 0.38 C ATOM 837 OG SER A 58 11.419 15.511 0.822 1.00 1.28 O ATOM 0 H SER A 58 10.126 13.930 4.496 1.00 0.28 H new ATOM 0 HA SER A 58 9.175 15.462 2.169 1.00 0.30 H new ATOM 0 HB2 SER A 58 11.491 16.275 2.733 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.071 14.629 2.565 1.00 0.38 H new ATOM 0 HG SER A 58 12.313 15.850 0.607 1.00 1.28 H new ATOM 843 N ARG A 59 9.278 13.237 0.860 1.00 0.32 N ATOM 844 CA ARG A 59 9.091 11.912 0.295 1.00 0.30 C ATOM 845 C ARG A 59 10.220 11.591 -0.666 1.00 0.27 C ATOM 846 O ARG A 59 10.393 12.273 -1.675 1.00 0.34 O ATOM 847 CB ARG A 59 7.740 11.793 -0.414 1.00 0.42 C ATOM 848 CG ARG A 59 6.576 12.264 0.437 1.00 0.64 C ATOM 849 CD ARG A 59 5.253 11.675 -0.028 1.00 0.68 C ATOM 850 NE ARG A 59 5.043 11.841 -1.461 1.00 1.41 N ATOM 851 CZ ARG A 59 4.203 12.729 -1.995 1.00 1.81 C ATOM 852 NH1 ARG A 59 3.551 13.583 -1.209 1.00 1.78 N ATOM 853 NH2 ARG A 59 4.037 12.774 -3.312 1.00 2.81 N ATOM 0 H ARG A 59 9.043 14.008 0.235 1.00 0.32 H new ATOM 0 HA ARG A 59 9.102 11.192 1.113 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.768 12.375 -1.335 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.577 10.754 -0.699 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.751 11.986 1.476 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.520 13.352 0.404 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.224 10.614 0.220 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.436 12.152 0.514 1.00 0.68 H new ATOM 0 HE ARG A 59 5.571 11.241 -2.095 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.694 13.558 -0.199 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.908 14.262 -1.616 1.00 1.78 H new ATOM 0 HH21 ARG A 59 4.551 12.130 -3.913 1.00 2.81 H new ATOM 0 HH22 ARG A 59 3.395 13.452 -3.722 1.00 2.81 H new ATOM 867 N PRO A 60 11.034 10.577 -0.318 1.00 0.23 N ATOM 868 CA PRO A 60 12.126 10.084 -1.158 1.00 0.26 C ATOM 869 C PRO A 60 11.808 10.082 -2.651 1.00 0.26 C ATOM 870 O PRO A 60 10.729 9.659 -3.073 1.00 0.28 O ATOM 871 CB PRO A 60 12.299 8.658 -0.659 1.00 0.30 C ATOM 872 CG PRO A 60 11.964 8.722 0.789 1.00 0.28 C ATOM 873 CD PRO A 60 10.976 9.846 0.966 1.00 0.21 C ATOM 0 HA PRO A 60 13.010 10.717 -1.078 1.00 0.26 H new ATOM 0 HB2 PRO A 60 11.639 7.970 -1.188 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.318 8.305 -0.815 1.00 0.30 H new ATOM 0 HG2 PRO A 60 11.538 7.778 1.128 1.00 0.28 H new ATOM 0 HG3 PRO A 60 12.860 8.899 1.384 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.973 9.468 1.166 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.248 10.488 1.804 1.00 0.21 H new ATOM 881 N VAL A 61 12.763 10.542 -3.444 1.00 0.29 N ATOM 882 CA VAL A 61 12.590 10.588 -4.884 1.00 0.31 C ATOM 883 C VAL A 61 13.095 9.288 -5.487 1.00 0.28 C ATOM 884 O VAL A 61 13.996 8.653 -4.929 1.00 0.27 O ATOM 885 CB VAL A 61 13.360 11.774 -5.503 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.006 11.963 -6.972 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.102 13.050 -4.718 1.00 0.88 C ATOM 0 H VAL A 61 13.664 10.888 -3.114 1.00 0.29 H new ATOM 0 HA VAL A 61 11.530 10.721 -5.101 1.00 0.31 H new ATOM 0 HB VAL A 61 14.424 11.544 -5.447 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.566 12.806 -7.376 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.260 11.060 -7.527 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.938 12.158 -7.067 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.654 13.874 -5.171 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.036 13.277 -4.732 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.431 12.916 -3.687 1.00 0.88 H new ATOM 897 N LYS A 62 12.519 8.879 -6.603 1.00 0.27 N ATOM 898 CA LYS A 62 12.942 7.654 -7.256 1.00 0.27 C ATOM 899 C LYS A 62 14.359 7.772 -7.770 1.00 0.25 C ATOM 900 O LYS A 62 14.633 8.421 -8.781 1.00 0.31 O ATOM 901 CB LYS A 62 11.981 7.243 -8.361 1.00 0.30 C ATOM 902 CG LYS A 62 10.667 6.720 -7.814 1.00 0.37 C ATOM 903 CD LYS A 62 10.004 5.774 -8.788 1.00 0.41 C ATOM 904 CE LYS A 62 8.802 5.092 -8.160 1.00 0.60 C ATOM 905 NZ LYS A 62 8.361 3.922 -8.957 1.00 1.17 N ATOM 0 H LYS A 62 11.761 9.374 -7.074 1.00 0.27 H new ATOM 0 HA LYS A 62 12.925 6.862 -6.507 1.00 0.27 H new ATOM 0 HB2 LYS A 62 11.788 8.098 -9.009 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.447 6.475 -8.978 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.843 6.207 -6.868 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.000 7.556 -7.604 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.691 6.323 -9.676 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.722 5.022 -9.115 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.052 4.771 -7.149 1.00 0.60 H new ATOM 0 HE3 LYS A 62 7.982 5.805 -8.074 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.364 4.042 -9.227 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.945 3.846 -9.814 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.464 3.057 -8.390 1.00 1.17 H new ATOM 919 N GLY A 63 15.248 7.133 -7.036 1.00 0.25 N ATOM 920 CA GLY A 63 16.651 7.194 -7.313 1.00 0.27 C ATOM 921 C GLY A 63 17.429 7.239 -6.030 1.00 0.30 C ATOM 922 O GLY A 63 18.594 6.859 -5.975 1.00 0.42 O ATOM 0 H GLY A 63 15.007 6.557 -6.229 1.00 0.25 H new ATOM 0 HA2 GLY A 63 16.952 6.326 -7.899 1.00 0.27 H new ATOM 0 HA3 GLY A 63 16.873 8.076 -7.913 1.00 0.27 H new ATOM 926 N GLN A 64 16.773 7.712 -4.982 1.00 0.26 N ATOM 927 CA GLN A 64 17.408 7.775 -3.683 1.00 0.28 C ATOM 928 C GLN A 64 17.444 6.398 -3.059 1.00 0.24 C ATOM 929 O GLN A 64 16.475 5.641 -3.134 1.00 0.24 O ATOM 930 CB GLN A 64 16.692 8.748 -2.742 1.00 0.30 C ATOM 931 CG GLN A 64 16.214 10.055 -3.374 1.00 0.36 C ATOM 932 CD GLN A 64 17.272 10.870 -4.119 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.197 10.223 -4.804 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.213 12.096 -4.120 1.00 0.43 N flip ATOM 0 H GLN A 64 15.812 8.053 -5.008 1.00 0.26 H new ATOM 0 HA GLN A 64 18.424 8.142 -3.832 1.00 0.28 H new ATOM 0 HB2 GLN A 64 15.830 8.239 -2.311 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.365 8.989 -1.919 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.407 9.825 -4.069 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.790 10.680 -2.589 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.489 12.572 -3.582 1.00 0.43 H new ATOM 0 HE22 GLN A 64 17.888 12.639 -4.658 1.00 0.43 H new ATOM 943 N VAL A 65 18.573 6.079 -2.466 1.00 0.28 N ATOM 944 CA VAL A 65 18.735 4.842 -1.743 1.00 0.31 C ATOM 945 C VAL A 65 18.188 5.023 -0.334 1.00 0.25 C ATOM 946 O VAL A 65 18.670 5.855 0.431 1.00 0.32 O ATOM 947 CB VAL A 65 20.215 4.401 -1.720 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.425 3.201 -0.820 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.668 4.076 -3.130 1.00 1.05 C ATOM 0 H VAL A 65 19.403 6.671 -2.473 1.00 0.28 H new ATOM 0 HA VAL A 65 18.178 4.051 -2.245 1.00 0.31 H new ATOM 0 HB VAL A 65 20.809 5.223 -1.320 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.478 2.919 -0.829 1.00 1.22 H new ATOM 0 HG12 VAL A 65 20.125 3.452 0.197 1.00 1.22 H new ATOM 0 HG13 VAL A 65 19.823 2.367 -1.180 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.712 3.765 -3.114 1.00 1.05 H new ATOM 0 HG22 VAL A 65 20.055 3.269 -3.532 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.562 4.960 -3.759 1.00 1.05 H new ATOM 959 N VAL A 66 17.158 4.264 -0.014 1.00 0.19 N ATOM 960 CA VAL A 66 16.402 4.465 1.212 1.00 0.15 C ATOM 961 C VAL A 66 16.381 3.210 2.055 1.00 0.16 C ATOM 962 O VAL A 66 16.449 2.096 1.535 1.00 0.21 O ATOM 963 CB VAL A 66 14.951 4.896 0.904 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.913 6.217 0.151 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.232 3.834 0.094 1.00 0.25 C ATOM 0 H VAL A 66 16.821 3.494 -0.592 1.00 0.19 H new ATOM 0 HA VAL A 66 16.901 5.258 1.770 1.00 0.15 H new ATOM 0 HB VAL A 66 14.443 5.024 1.860 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.877 6.492 -0.050 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.384 6.993 0.754 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.451 6.114 -0.792 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.212 4.160 -0.110 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.758 3.676 -0.848 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.208 2.901 0.657 1.00 0.25 H new ATOM 975 N THR A 67 16.289 3.399 3.358 1.00 0.13 N ATOM 976 CA THR A 67 16.236 2.293 4.281 1.00 0.15 C ATOM 977 C THR A 67 14.817 2.108 4.793 1.00 0.16 C ATOM 978 O THR A 67 14.276 2.969 5.496 1.00 0.21 O ATOM 979 CB THR A 67 17.193 2.507 5.474 1.00 0.20 C ATOM 980 OG1 THR A 67 16.888 3.736 6.143 1.00 0.29 O ATOM 981 CG2 THR A 67 18.641 2.525 5.009 1.00 0.27 C ATOM 0 H THR A 67 16.249 4.318 3.799 1.00 0.13 H new ATOM 0 HA THR A 67 16.552 1.398 3.745 1.00 0.15 H new ATOM 0 HB THR A 67 17.058 1.677 6.167 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.933 3.934 6.045 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.297 2.677 5.866 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.882 1.575 4.532 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.784 3.336 4.295 1.00 0.27 H new ATOM 989 N VAL A 68 14.201 0.999 4.432 1.00 0.15 N ATOM 990 CA VAL A 68 12.891 0.689 4.955 1.00 0.15 C ATOM 991 C VAL A 68 12.978 -0.482 5.902 1.00 0.15 C ATOM 992 O VAL A 68 13.788 -1.373 5.728 1.00 0.17 O ATOM 993 CB VAL A 68 11.853 0.357 3.859 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.568 1.573 2.989 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.318 -0.818 3.008 1.00 0.19 C ATOM 0 H VAL A 68 14.583 0.307 3.787 1.00 0.15 H new ATOM 0 HA VAL A 68 12.551 1.588 5.469 1.00 0.15 H new ATOM 0 HB VAL A 68 10.925 0.072 4.354 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.835 1.311 2.226 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.175 2.379 3.608 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.490 1.901 2.508 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.571 -1.032 2.244 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.265 -0.568 2.529 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.452 -1.695 3.641 1.00 0.19 H new ATOM 1005 N HIS A 69 12.161 -0.468 6.918 1.00 0.14 N ATOM 1006 CA HIS A 69 11.999 -1.641 7.742 1.00 0.15 C ATOM 1007 C HIS A 69 10.689 -2.280 7.355 1.00 0.14 C ATOM 1008 O HIS A 69 9.637 -1.694 7.577 1.00 0.15 O ATOM 1009 CB HIS A 69 11.995 -1.298 9.243 1.00 0.15 C ATOM 1010 CG HIS A 69 11.748 -2.502 10.126 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.271 -2.671 11.392 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.003 -3.606 9.898 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.843 -3.827 11.884 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.084 -4.403 10.997 1.00 0.18 N ATOM 0 H HIS A 69 11.598 0.336 7.197 1.00 0.14 H new ATOM 0 HA HIS A 69 12.838 -2.318 7.579 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.952 -0.849 9.510 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.227 -0.549 9.437 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.887 -2.014 11.872 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.442 -3.818 9.000 1.00 0.18 H new ATOM 0 HE1 HIS A 69 12.084 -4.224 12.859 1.00 0.18 H new ATOM 1023 N LEU A 70 10.735 -3.471 6.793 1.00 0.15 N ATOM 1024 CA LEU A 70 9.498 -4.139 6.466 1.00 0.16 C ATOM 1025 C LEU A 70 9.356 -5.429 7.240 1.00 0.15 C ATOM 1026 O LEU A 70 10.299 -6.198 7.396 1.00 0.21 O ATOM 1027 CB LEU A 70 9.332 -4.401 4.963 1.00 0.21 C ATOM 1028 CG LEU A 70 9.724 -5.793 4.476 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.156 -6.048 3.088 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.233 -5.948 4.453 1.00 0.38 C ATOM 0 H LEU A 70 11.587 -3.981 6.560 1.00 0.15 H new ATOM 0 HA LEU A 70 8.701 -3.456 6.759 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.289 -4.226 4.697 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.927 -3.667 4.419 1.00 0.21 H new ATOM 0 HG LEU A 70 9.309 -6.525 5.169 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.444 -7.045 2.754 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.069 -5.977 3.121 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.547 -5.305 2.393 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.491 -6.948 4.103 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.665 -5.206 3.782 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.629 -5.802 5.458 1.00 0.38 H new ATOM 1042 N GLN A 71 8.184 -5.609 7.781 1.00 0.13 N ATOM 1043 CA GLN A 71 7.767 -6.884 8.318 1.00 0.14 C ATOM 1044 C GLN A 71 6.427 -7.159 7.724 1.00 0.14 C ATOM 1045 O GLN A 71 5.464 -6.421 7.949 1.00 0.14 O ATOM 1046 CB GLN A 71 7.656 -6.891 9.833 1.00 0.15 C ATOM 1047 CG GLN A 71 8.557 -5.896 10.527 1.00 0.15 C ATOM 1048 CD GLN A 71 7.900 -4.559 10.760 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.925 -4.236 9.945 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.251 -3.838 11.691 1.00 0.18 N flip ATOM 0 H GLN A 71 7.483 -4.873 7.865 1.00 0.13 H new ATOM 0 HA GLN A 71 8.512 -7.640 8.070 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.623 -6.683 10.111 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.889 -7.891 10.198 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.874 -6.309 11.485 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.457 -5.752 9.929 1.00 0.15 H new ATOM 0 HE21 GLN A 71 9.015 -4.129 12.301 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.778 -2.949 11.854 1.00 0.18 H new ATOM 1059 N THR A 72 6.387 -8.175 6.939 1.00 0.15 N ATOM 1060 CA THR A 72 5.259 -8.426 6.111 1.00 0.16 C ATOM 1061 C THR A 72 4.405 -9.547 6.658 1.00 0.16 C ATOM 1062 O THR A 72 4.893 -10.638 6.945 1.00 0.17 O ATOM 1063 CB THR A 72 5.736 -8.775 4.715 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.563 -7.718 4.213 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.564 -8.999 3.800 1.00 0.19 C ATOM 0 H THR A 72 7.138 -8.860 6.851 1.00 0.15 H new ATOM 0 HA THR A 72 4.644 -7.526 6.084 1.00 0.16 H new ATOM 0 HB THR A 72 6.317 -9.696 4.758 1.00 0.17 H new ATOM 0 HG1 THR A 72 6.872 -7.945 3.311 1.00 0.19 H new ATOM 0 HG21 THR A 72 4.924 -9.249 2.802 1.00 0.19 H new ATOM 0 HG22 THR A 72 3.956 -9.819 4.182 1.00 0.19 H new ATOM 0 HG23 THR A 72 3.961 -8.092 3.752 1.00 0.19 H new ATOM 1073 N SER A 73 3.133 -9.261 6.783 1.00 0.17 N ATOM 1074 CA SER A 73 2.174 -10.221 7.239 1.00 0.17 C ATOM 1075 C SER A 73 1.362 -10.694 6.054 1.00 0.15 C ATOM 1076 O SER A 73 1.205 -9.977 5.073 1.00 0.26 O ATOM 1077 CB SER A 73 1.251 -9.581 8.278 1.00 0.23 C ATOM 1078 OG SER A 73 1.926 -8.564 9.005 1.00 1.06 O ATOM 0 H SER A 73 2.736 -8.346 6.568 1.00 0.17 H new ATOM 0 HA SER A 73 2.686 -11.066 7.700 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.377 -9.159 7.782 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.888 -10.345 8.966 1.00 0.23 H new ATOM 0 HG SER A 73 1.314 -8.170 9.661 1.00 1.06 H new ATOM 1084 N LEU A 74 0.888 -11.905 6.134 1.00 0.19 N ATOM 1085 CA LEU A 74 -0.020 -12.432 5.151 1.00 0.18 C ATOM 1086 C LEU A 74 -1.384 -11.800 5.329 1.00 0.19 C ATOM 1087 O LEU A 74 -1.648 -11.173 6.353 1.00 0.21 O ATOM 1088 CB LEU A 74 -0.093 -13.947 5.293 1.00 0.22 C ATOM 1089 CG LEU A 74 1.163 -14.685 4.842 1.00 0.38 C ATOM 1090 CD1 LEU A 74 0.839 -16.120 4.457 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.836 -13.935 3.700 1.00 0.72 C ATOM 0 H LEU A 74 1.120 -12.557 6.883 1.00 0.19 H new ATOM 0 HA LEU A 74 0.336 -12.196 4.148 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.288 -14.193 6.337 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.942 -14.313 4.715 1.00 0.22 H new ATOM 0 HG LEU A 74 1.864 -14.724 5.676 1.00 0.38 H new ATOM 0 HD11 LEU A 74 1.750 -16.626 4.139 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.416 -16.641 5.316 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.118 -16.123 3.640 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.731 -14.474 3.389 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.147 -13.859 2.859 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.112 -12.935 4.034 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.238 -11.954 4.329 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.620 -11.502 4.414 1.00 0.26 C ATOM 1105 C GLU A 75 -4.321 -12.120 5.628 1.00 0.32 C ATOM 1106 O GLU A 75 -5.383 -11.666 6.046 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.365 -11.869 3.130 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.116 -13.295 2.665 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.886 -13.645 1.407 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.375 -13.372 0.301 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.998 -14.192 1.520 1.00 1.14 O ATOM 0 H GLU A 75 -1.996 -12.393 3.441 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.625 -10.419 4.534 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.434 -11.729 3.288 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.068 -11.181 2.339 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.050 -13.432 2.483 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.395 -13.986 3.461 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.705 -13.159 6.182 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.249 -13.871 7.332 1.00 0.41 C ATOM 1120 C ASN A 76 -3.764 -13.215 8.624 1.00 0.39 C ATOM 1121 O ASN A 76 -4.328 -13.427 9.695 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.787 -15.338 7.332 1.00 0.50 C ATOM 1123 CG ASN A 76 -3.374 -15.871 5.963 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -4.103 -15.520 4.915 1.00 2.14 O flip ATOM 1125 ND2 ASN A 76 -2.407 -16.621 5.854 1.00 1.13 N flip ATOM 0 H ASN A 76 -2.816 -13.530 5.847 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.336 -13.831 7.270 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.945 -15.441 8.017 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.593 -15.960 7.722 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -1.863 -16.875 6.679 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.148 -16.990 4.939 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.721 -12.403 8.500 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.102 -11.782 9.659 1.00 0.32 C ATOM 1134 C GLY A 77 -0.760 -12.414 9.990 1.00 0.32 C ATOM 1135 O GLY A 77 -0.047 -11.954 10.877 1.00 0.51 O ATOM 0 H GLY A 77 -2.288 -12.161 7.609 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.965 -10.717 9.471 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.767 -11.871 10.518 1.00 0.32 H new ATOM 1139 N THR A 78 -0.409 -13.466 9.262 1.00 0.28 N ATOM 1140 CA THR A 78 0.813 -14.211 9.530 1.00 0.28 C ATOM 1141 C THR A 78 2.035 -13.534 8.922 1.00 0.23 C ATOM 1142 O THR A 78 2.198 -13.506 7.708 1.00 0.21 O ATOM 1143 CB THR A 78 0.705 -15.649 8.990 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.521 -16.235 9.440 1.00 0.46 O ATOM 1145 CG2 THR A 78 1.876 -16.503 9.456 1.00 0.39 C ATOM 0 H THR A 78 -0.956 -13.823 8.479 1.00 0.28 H new ATOM 0 HA THR A 78 0.937 -14.237 10.613 1.00 0.28 H new ATOM 0 HB THR A 78 0.724 -15.608 7.901 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.592 -17.150 9.096 1.00 0.46 H new ATOM 0 HG21 THR A 78 1.771 -17.512 9.058 1.00 0.39 H new ATOM 0 HG22 THR A 78 2.809 -16.067 9.099 1.00 0.39 H new ATOM 0 HG23 THR A 78 1.887 -16.541 10.545 1.00 0.39 H new ATOM 1153 N ARG A 79 2.892 -12.993 9.773 1.00 0.24 N ATOM 1154 CA ARG A 79 4.114 -12.346 9.313 1.00 0.22 C ATOM 1155 C ARG A 79 5.124 -13.366 8.826 1.00 0.24 C ATOM 1156 O ARG A 79 5.515 -14.282 9.550 1.00 0.33 O ATOM 1157 CB ARG A 79 4.704 -11.467 10.401 1.00 0.25 C ATOM 1158 CG ARG A 79 3.835 -10.263 10.678 1.00 0.25 C ATOM 1159 CD ARG A 79 4.674 -9.050 11.040 1.00 0.28 C ATOM 1160 NE ARG A 79 3.860 -7.841 11.203 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.326 -6.686 11.686 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.579 -6.600 12.108 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.534 -5.617 11.767 1.00 0.47 N ATOM 0 H ARG A 79 2.766 -12.988 10.785 1.00 0.24 H new ATOM 0 HA ARG A 79 3.857 -11.707 8.468 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.822 -12.049 11.315 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.699 -11.137 10.103 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.228 -10.040 9.800 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.146 -10.488 11.492 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.216 -9.248 11.965 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.420 -8.882 10.263 1.00 0.28 H new ATOM 0 HE ARG A 79 2.878 -7.885 10.931 1.00 0.33 H new ATOM 0 HH11 ARG A 79 6.189 -7.416 12.064 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.934 -5.717 12.477 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.564 -5.677 11.459 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.898 -4.739 12.137 1.00 0.47 H new ATOM 1177 N VAL A 80 5.540 -13.186 7.586 1.00 0.20 N ATOM 1178 CA VAL A 80 6.352 -14.166 6.892 1.00 0.22 C ATOM 1179 C VAL A 80 7.788 -13.694 6.698 1.00 0.21 C ATOM 1180 O VAL A 80 8.677 -14.491 6.388 1.00 0.27 O ATOM 1181 CB VAL A 80 5.732 -14.482 5.522 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.390 -15.158 5.704 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.587 -13.218 4.690 1.00 0.22 C ATOM 0 H VAL A 80 5.324 -12.357 7.033 1.00 0.20 H new ATOM 0 HA VAL A 80 6.377 -15.062 7.512 1.00 0.22 H new ATOM 0 HB VAL A 80 6.397 -15.161 4.988 1.00 0.23 H new ATOM 0 HG11 VAL A 80 3.958 -15.378 4.728 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.523 -16.086 6.260 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.722 -14.497 6.256 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.146 -13.466 3.725 1.00 0.22 H new ATOM 0 HG22 VAL A 80 4.943 -12.511 5.212 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.568 -12.769 4.536 1.00 0.22 H new ATOM 1193 N GLN A 81 8.004 -12.406 6.873 1.00 0.18 N ATOM 1194 CA GLN A 81 9.310 -11.810 6.655 1.00 0.19 C ATOM 1195 C GLN A 81 9.434 -10.545 7.488 1.00 0.19 C ATOM 1196 O GLN A 81 8.485 -9.766 7.580 1.00 0.26 O ATOM 1197 CB GLN A 81 9.501 -11.511 5.161 1.00 0.23 C ATOM 1198 CG GLN A 81 8.448 -10.581 4.577 1.00 0.23 C ATOM 1199 CD GLN A 81 8.472 -10.531 3.061 1.00 0.37 C ATOM 1200 OE1 GLN A 81 7.667 -11.378 2.431 1.00 0.59 O flip ATOM 1201 NE2 GLN A 81 9.185 -9.732 2.457 1.00 0.50 N flip ATOM 0 H GLN A 81 7.285 -11.745 7.168 1.00 0.18 H new ATOM 0 HA GLN A 81 10.091 -12.505 6.964 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.485 -11.067 5.013 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.488 -12.450 4.608 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.462 -10.906 4.908 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.601 -9.576 4.970 1.00 0.23 H new ATOM 0 HE21 GLN A 81 9.791 -9.096 2.975 1.00 0.50 H new ATOM 0 HE22 GLN A 81 9.170 -9.705 1.437 1.00 0.50 H new ATOM 1210 N GLU A 82 10.581 -10.353 8.113 1.00 0.24 N ATOM 1211 CA GLU A 82 10.800 -9.187 8.943 1.00 0.24 C ATOM 1212 C GLU A 82 12.239 -8.723 8.823 1.00 0.25 C ATOM 1213 O GLU A 82 13.155 -9.339 9.369 1.00 0.41 O ATOM 1214 CB GLU A 82 10.445 -9.501 10.403 1.00 0.35 C ATOM 1215 CG GLU A 82 10.654 -8.333 11.344 1.00 0.44 C ATOM 1216 CD GLU A 82 9.937 -8.513 12.668 1.00 0.82 C ATOM 1217 OE1 GLU A 82 8.722 -8.219 12.729 1.00 1.34 O ATOM 1218 OE2 GLU A 82 10.590 -8.934 13.646 1.00 1.21 O ATOM 0 H GLU A 82 11.375 -10.991 8.060 1.00 0.24 H new ATOM 0 HA GLU A 82 10.151 -8.381 8.601 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.403 -9.816 10.455 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.050 -10.342 10.742 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.721 -8.206 11.528 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.302 -7.419 10.866 1.00 0.44 H new ATOM 1225 N GLU A 83 12.427 -7.628 8.106 1.00 0.22 N ATOM 1226 CA GLU A 83 13.749 -7.091 7.862 1.00 0.26 C ATOM 1227 C GLU A 83 13.837 -5.686 8.427 1.00 0.23 C ATOM 1228 O GLU A 83 13.073 -4.803 8.040 1.00 0.24 O ATOM 1229 CB GLU A 83 14.056 -7.060 6.359 1.00 0.39 C ATOM 1230 CG GLU A 83 13.477 -8.230 5.573 1.00 1.20 C ATOM 1231 CD GLU A 83 14.046 -9.577 5.981 1.00 1.73 C ATOM 1232 OE1 GLU A 83 15.273 -9.766 5.862 1.00 1.69 O ATOM 1233 OE2 GLU A 83 13.263 -10.454 6.406 1.00 2.59 O ATOM 0 H GLU A 83 11.671 -7.091 7.680 1.00 0.22 H new ATOM 0 HA GLU A 83 14.481 -7.734 8.352 1.00 0.26 H new ATOM 0 HB2 GLU A 83 13.669 -6.131 5.941 1.00 0.39 H new ATOM 0 HB3 GLU A 83 15.137 -7.046 6.222 1.00 0.39 H new ATOM 0 HG2 GLU A 83 12.395 -8.246 5.706 1.00 1.20 H new ATOM 0 HG3 GLU A 83 13.665 -8.072 4.511 1.00 1.20 H new ATOM 1240 N PRO A 84 14.774 -5.456 9.347 1.00 0.23 N ATOM 1241 CA PRO A 84 14.904 -4.178 10.046 1.00 0.21 C ATOM 1242 C PRO A 84 15.376 -3.050 9.142 1.00 0.19 C ATOM 1243 O PRO A 84 15.182 -1.869 9.454 1.00 0.20 O ATOM 1244 CB PRO A 84 15.943 -4.457 11.143 1.00 0.25 C ATOM 1245 CG PRO A 84 16.128 -5.940 11.161 1.00 0.50 C ATOM 1246 CD PRO A 84 15.785 -6.423 9.784 1.00 0.31 C ATOM 0 HA PRO A 84 13.941 -3.842 10.430 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.883 -3.948 10.930 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.597 -4.094 12.111 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.154 -6.201 11.420 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.483 -6.403 11.908 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.655 -6.425 9.127 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.394 -7.440 9.797 1.00 0.31 H new ATOM 1254 N GLU A 85 15.960 -3.401 8.010 1.00 0.20 N ATOM 1255 CA GLU A 85 16.497 -2.399 7.114 1.00 0.22 C ATOM 1256 C GLU A 85 16.817 -2.983 5.756 1.00 0.24 C ATOM 1257 O GLU A 85 17.860 -3.589 5.537 1.00 0.35 O ATOM 1258 CB GLU A 85 17.728 -1.739 7.732 1.00 0.31 C ATOM 1259 CG GLU A 85 18.097 -0.412 7.094 1.00 0.34 C ATOM 1260 CD GLU A 85 18.960 0.432 8.000 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.429 1.010 8.968 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.183 0.515 7.739 1.00 1.30 O ATOM 0 H GLU A 85 16.073 -4.364 7.693 1.00 0.20 H new ATOM 0 HA GLU A 85 15.733 -1.636 6.965 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.549 -1.583 8.796 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.575 -2.420 7.648 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.625 -0.594 6.158 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.188 0.136 6.846 1.00 0.34 H new ATOM 1269 N LEU A 86 15.865 -2.807 4.875 1.00 0.23 N ATOM 1270 CA LEU A 86 16.005 -3.126 3.485 1.00 0.24 C ATOM 1271 C LEU A 86 16.334 -1.852 2.729 1.00 0.23 C ATOM 1272 O LEU A 86 15.466 -1.005 2.521 1.00 0.25 O ATOM 1273 CB LEU A 86 14.702 -3.725 2.963 1.00 0.26 C ATOM 1274 CG LEU A 86 14.647 -3.954 1.459 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.713 -4.949 1.013 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.266 -4.439 1.050 1.00 0.38 C ATOM 0 H LEU A 86 14.949 -2.428 5.115 1.00 0.23 H new ATOM 0 HA LEU A 86 16.804 -3.854 3.344 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.533 -4.677 3.465 1.00 0.26 H new ATOM 0 HB3 LEU A 86 13.880 -3.066 3.244 1.00 0.26 H new ATOM 0 HG LEU A 86 14.848 -3.003 0.965 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.649 -5.092 -0.066 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.700 -4.564 1.270 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.553 -5.903 1.516 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.241 -4.599 -0.028 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.043 -5.376 1.561 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.522 -3.691 1.323 1.00 0.38 H new ATOM 1288 N VAL A 87 17.589 -1.690 2.368 1.00 0.24 N ATOM 1289 CA VAL A 87 18.009 -0.501 1.653 1.00 0.22 C ATOM 1290 C VAL A 87 18.058 -0.790 0.153 1.00 0.21 C ATOM 1291 O VAL A 87 18.540 -1.846 -0.268 1.00 0.28 O ATOM 1292 CB VAL A 87 19.380 0.000 2.168 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.526 -0.879 1.689 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.619 1.440 1.768 1.00 0.94 C ATOM 0 H VAL A 87 18.333 -2.362 2.556 1.00 0.24 H new ATOM 0 HA VAL A 87 17.283 0.292 1.833 1.00 0.22 H new ATOM 0 HB VAL A 87 19.350 -0.060 3.256 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.469 -0.490 2.074 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.379 -1.897 2.050 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.552 -0.881 0.599 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.589 1.766 2.143 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.603 1.523 0.681 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.837 2.070 2.191 1.00 0.94 H new ATOM 1304 N PHE A 88 17.531 0.126 -0.653 1.00 0.17 N ATOM 1305 CA PHE A 88 17.409 -0.111 -2.092 1.00 0.19 C ATOM 1306 C PHE A 88 17.316 1.194 -2.863 1.00 0.20 C ATOM 1307 O PHE A 88 17.144 2.265 -2.281 1.00 0.23 O ATOM 1308 CB PHE A 88 16.175 -0.966 -2.376 1.00 0.21 C ATOM 1309 CG PHE A 88 14.867 -0.288 -2.073 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.410 -0.185 -0.770 1.00 0.19 C ATOM 1311 CD2 PHE A 88 14.089 0.229 -3.096 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.203 0.421 -0.495 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.878 0.830 -2.828 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.433 0.929 -1.529 1.00 0.15 C ATOM 0 H PHE A 88 17.183 1.033 -0.341 1.00 0.17 H new ATOM 0 HA PHE A 88 18.305 -0.637 -2.422 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.184 -1.258 -3.426 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.240 -1.882 -1.789 1.00 0.21 H new ATOM 0 HD1 PHE A 88 15.005 -0.583 0.039 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.436 0.160 -4.116 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.858 0.500 0.525 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.279 1.223 -3.636 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.486 1.402 -1.316 1.00 0.15 H new ATOM 1324 N THR A 89 17.430 1.089 -4.176 1.00 0.23 N ATOM 1325 CA THR A 89 17.291 2.233 -5.049 1.00 0.25 C ATOM 1326 C THR A 89 15.831 2.394 -5.454 1.00 0.21 C ATOM 1327 O THR A 89 15.263 1.522 -6.116 1.00 0.22 O ATOM 1328 CB THR A 89 18.155 2.059 -6.306 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.422 1.494 -5.949 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.370 3.389 -7.013 1.00 0.37 C ATOM 0 H THR A 89 17.620 0.212 -4.661 1.00 0.23 H new ATOM 0 HA THR A 89 17.624 3.122 -4.514 1.00 0.25 H new ATOM 0 HB THR A 89 17.632 1.389 -6.988 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.969 1.383 -6.754 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.985 3.235 -7.899 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.406 3.804 -7.308 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.873 4.082 -6.339 1.00 0.37 H new ATOM 1338 N LEU A 90 15.227 3.488 -5.023 1.00 0.19 N ATOM 1339 CA LEU A 90 13.832 3.767 -5.331 1.00 0.16 C ATOM 1340 C LEU A 90 13.635 3.929 -6.836 1.00 0.15 C ATOM 1341 O LEU A 90 14.379 4.652 -7.490 1.00 0.18 O ATOM 1342 CB LEU A 90 13.388 5.033 -4.603 1.00 0.16 C ATOM 1343 CG LEU A 90 11.881 5.228 -4.506 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.242 4.028 -3.829 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.573 6.510 -3.750 1.00 0.60 C ATOM 0 H LEU A 90 15.683 4.202 -4.455 1.00 0.19 H new ATOM 0 HA LEU A 90 13.224 2.927 -4.995 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.802 5.018 -3.595 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.818 5.896 -5.112 1.00 0.16 H new ATOM 0 HG LEU A 90 11.463 5.313 -5.509 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.164 4.178 -3.765 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.450 3.129 -4.410 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.653 3.915 -2.826 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.493 6.643 -3.684 1.00 0.60 H new ATOM 0 HD22 LEU A 90 11.993 6.450 -2.746 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.012 7.357 -4.277 1.00 0.60 H new ATOM 1357 N GLY A 91 12.659 3.230 -7.386 1.00 0.20 N ATOM 1358 CA GLY A 91 12.367 3.346 -8.798 1.00 0.23 C ATOM 1359 C GLY A 91 13.252 2.454 -9.636 1.00 0.26 C ATOM 1360 O GLY A 91 13.222 2.516 -10.867 1.00 0.37 O ATOM 0 H GLY A 91 12.059 2.580 -6.878 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.323 3.088 -8.974 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.497 4.382 -9.111 1.00 0.23 H new ATOM 1364 N ASP A 92 14.046 1.630 -8.971 1.00 0.27 N ATOM 1365 CA ASP A 92 14.944 0.712 -9.660 1.00 0.32 C ATOM 1366 C ASP A 92 14.362 -0.688 -9.636 1.00 0.30 C ATOM 1367 O ASP A 92 14.922 -1.616 -10.217 1.00 0.37 O ATOM 1368 CB ASP A 92 16.336 0.747 -9.008 1.00 0.42 C ATOM 1369 CG ASP A 92 17.352 -0.148 -9.698 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.763 0.177 -10.829 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.715 -1.204 -9.135 1.00 0.82 O ATOM 0 H ASP A 92 14.088 1.577 -7.953 1.00 0.27 H new ATOM 0 HA ASP A 92 15.052 1.020 -10.700 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.705 1.773 -9.013 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.247 0.445 -7.964 1.00 0.42 H new ATOM 1376 N CYS A 93 13.201 -0.821 -8.988 1.00 0.28 N ATOM 1377 CA CYS A 93 12.564 -2.115 -8.811 1.00 0.27 C ATOM 1378 C CYS A 93 13.525 -3.070 -8.121 1.00 0.26 C ATOM 1379 O CYS A 93 13.512 -4.274 -8.371 1.00 0.31 O ATOM 1380 CB CYS A 93 12.127 -2.689 -10.160 1.00 0.38 C ATOM 1381 SG CYS A 93 11.115 -1.558 -11.149 1.00 0.62 S ATOM 0 H CYS A 93 12.687 -0.041 -8.578 1.00 0.28 H new ATOM 0 HA CYS A 93 11.677 -1.988 -8.190 1.00 0.27 H new ATOM 0 HB2 CYS A 93 13.014 -2.961 -10.732 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.565 -3.607 -9.988 1.00 0.38 H new ATOM 0 HG CYS A 93 10.796 -2.130 -12.272 1.00 0.62 H new ATOM 1387 N ASP A 94 14.348 -2.519 -7.226 1.00 0.27 N ATOM 1388 CA ASP A 94 15.316 -3.317 -6.484 1.00 0.33 C ATOM 1389 C ASP A 94 14.565 -4.171 -5.471 1.00 0.33 C ATOM 1390 O ASP A 94 15.107 -5.079 -4.838 1.00 0.48 O ATOM 1391 CB ASP A 94 16.316 -2.398 -5.774 1.00 0.41 C ATOM 1392 CG ASP A 94 17.520 -3.132 -5.202 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.481 -3.393 -5.957 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.492 -3.480 -4.003 1.00 1.33 O ATOM 0 H ASP A 94 14.361 -1.524 -7.000 1.00 0.27 H new ATOM 0 HA ASP A 94 15.871 -3.962 -7.165 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.663 -1.641 -6.477 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.804 -1.873 -4.967 1.00 0.41 H new ATOM 1399 N VAL A 95 13.288 -3.856 -5.361 1.00 0.23 N ATOM 1400 CA VAL A 95 12.386 -4.473 -4.410 1.00 0.21 C ATOM 1401 C VAL A 95 11.103 -4.905 -5.100 1.00 0.20 C ATOM 1402 O VAL A 95 11.047 -4.990 -6.328 1.00 0.22 O ATOM 1403 CB VAL A 95 12.025 -3.475 -3.306 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.220 -3.227 -2.419 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.544 -2.173 -3.920 1.00 0.19 C ATOM 0 H VAL A 95 12.840 -3.148 -5.944 1.00 0.23 H new ATOM 0 HA VAL A 95 12.887 -5.342 -3.983 1.00 0.21 H new ATOM 0 HB VAL A 95 11.222 -3.893 -2.699 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.952 -2.516 -1.638 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.536 -4.165 -1.963 1.00 0.23 H new ATOM 0 HG13 VAL A 95 14.037 -2.820 -3.015 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.289 -1.469 -3.128 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.334 -1.750 -4.541 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.663 -2.363 -4.533 1.00 0.19 H new ATOM 1415 N ILE A 96 10.068 -5.151 -4.311 1.00 0.19 N ATOM 1416 CA ILE A 96 8.774 -5.440 -4.854 1.00 0.19 C ATOM 1417 C ILE A 96 8.159 -4.130 -5.298 1.00 0.16 C ATOM 1418 O ILE A 96 8.320 -3.108 -4.630 1.00 0.15 O ATOM 1419 CB ILE A 96 7.868 -6.153 -3.829 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.664 -5.286 -2.584 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.479 -7.490 -3.443 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.757 -5.910 -1.544 1.00 0.29 C ATOM 0 H ILE A 96 10.112 -5.153 -3.292 1.00 0.19 H new ATOM 0 HA ILE A 96 8.876 -6.121 -5.699 1.00 0.19 H new ATOM 0 HB ILE A 96 6.894 -6.322 -4.287 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.635 -5.084 -2.131 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.247 -4.325 -2.886 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.835 -7.989 -2.719 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.579 -8.114 -4.331 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.462 -7.327 -3.002 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.662 -5.236 -0.693 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.773 -6.087 -1.978 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.182 -6.857 -1.211 1.00 0.29 H new ATOM 1434 N GLN A 97 7.497 -4.147 -6.432 1.00 0.17 N ATOM 1435 CA GLN A 97 6.998 -2.916 -7.025 1.00 0.17 C ATOM 1436 C GLN A 97 6.024 -2.214 -6.085 1.00 0.16 C ATOM 1437 O GLN A 97 5.914 -0.993 -6.106 1.00 0.16 O ATOM 1438 CB GLN A 97 6.338 -3.169 -8.377 1.00 0.19 C ATOM 1439 CG GLN A 97 6.421 -1.966 -9.306 1.00 0.25 C ATOM 1440 CD GLN A 97 7.813 -1.759 -9.887 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.676 -1.029 -9.182 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 8.121 -2.267 -10.963 1.00 0.32 N flip ATOM 0 H GLN A 97 7.290 -4.992 -6.964 1.00 0.17 H new ATOM 0 HA GLN A 97 7.857 -2.265 -7.188 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.814 -4.025 -8.855 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.292 -3.432 -8.222 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.708 -2.093 -10.121 1.00 0.25 H new ATOM 0 HG3 GLN A 97 6.124 -1.071 -8.760 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.438 -2.821 -11.480 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.060 -2.135 -11.339 1.00 0.32 H new ATOM 1451 N ALA A 98 5.335 -2.985 -5.245 1.00 0.17 N ATOM 1452 CA ALA A 98 4.472 -2.415 -4.214 1.00 0.18 C ATOM 1453 C ALA A 98 5.269 -1.488 -3.315 1.00 0.17 C ATOM 1454 O ALA A 98 4.825 -0.397 -2.975 1.00 0.20 O ATOM 1455 CB ALA A 98 3.851 -3.515 -3.374 1.00 0.20 C ATOM 0 H ALA A 98 5.358 -4.005 -5.259 1.00 0.17 H new ATOM 0 HA ALA A 98 3.681 -1.850 -4.707 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.211 -3.073 -2.611 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.256 -4.168 -4.012 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.639 -4.096 -2.895 1.00 0.20 H new ATOM 1461 N LEU A 99 6.459 -1.926 -2.949 1.00 0.17 N ATOM 1462 CA LEU A 99 7.306 -1.150 -2.051 1.00 0.17 C ATOM 1463 C LEU A 99 7.911 0.028 -2.788 1.00 0.15 C ATOM 1464 O LEU A 99 7.980 1.138 -2.272 1.00 0.15 O ATOM 1465 CB LEU A 99 8.430 -2.003 -1.477 1.00 0.19 C ATOM 1466 CG LEU A 99 9.309 -1.287 -0.446 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.478 -0.819 0.733 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.436 -2.186 0.027 1.00 0.22 C ATOM 0 H LEU A 99 6.863 -2.811 -3.256 1.00 0.17 H new ATOM 0 HA LEU A 99 6.679 -0.795 -1.233 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.996 -2.889 -1.013 1.00 0.19 H new ATOM 0 HB3 LEU A 99 9.061 -2.349 -2.296 1.00 0.19 H new ATOM 0 HG LEU A 99 9.749 -0.415 -0.930 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.121 -0.313 1.453 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.709 -0.129 0.385 1.00 0.21 H new ATOM 0 HD13 LEU A 99 8.005 -1.678 1.209 1.00 0.21 H new ATOM 0 HD21 LEU A 99 11.044 -1.653 0.758 1.00 0.22 H new ATOM 0 HD22 LEU A 99 10.018 -3.082 0.487 1.00 0.22 H new ATOM 0 HD23 LEU A 99 11.056 -2.470 -0.823 1.00 0.22 H new ATOM 1480 N ASP A 100 8.314 -0.233 -4.017 1.00 0.15 N ATOM 1481 CA ASP A 100 9.002 0.750 -4.836 1.00 0.16 C ATOM 1482 C ASP A 100 8.098 1.953 -5.072 1.00 0.15 C ATOM 1483 O ASP A 100 8.560 3.074 -5.276 1.00 0.16 O ATOM 1484 CB ASP A 100 9.410 0.092 -6.158 1.00 0.17 C ATOM 1485 CG ASP A 100 10.206 0.997 -7.077 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.578 1.784 -7.810 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.457 0.949 -7.043 1.00 0.21 O ATOM 0 H ASP A 100 8.174 -1.133 -4.477 1.00 0.15 H new ATOM 0 HA ASP A 100 9.899 1.104 -4.328 1.00 0.16 H new ATOM 0 HB2 ASP A 100 10.000 -0.799 -5.942 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.512 -0.239 -6.680 1.00 0.17 H new ATOM 1492 N LEU A 101 6.798 1.697 -5.050 1.00 0.16 N ATOM 1493 CA LEU A 101 5.804 2.739 -5.200 1.00 0.16 C ATOM 1494 C LEU A 101 5.362 3.332 -3.852 1.00 0.15 C ATOM 1495 O LEU A 101 5.119 4.541 -3.740 1.00 0.16 O ATOM 1496 CB LEU A 101 4.598 2.169 -5.940 1.00 0.19 C ATOM 1497 CG LEU A 101 4.907 1.514 -7.289 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.631 0.999 -7.936 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.624 2.481 -8.216 1.00 0.25 C ATOM 0 H LEU A 101 6.408 0.763 -4.928 1.00 0.16 H new ATOM 0 HA LEU A 101 6.254 3.552 -5.769 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.115 1.432 -5.299 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.879 2.972 -6.101 1.00 0.19 H new ATOM 0 HG LEU A 101 5.570 0.668 -7.109 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.870 0.537 -8.894 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.164 0.261 -7.283 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.943 1.829 -8.095 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.831 1.989 -9.166 1.00 0.25 H new ATOM 0 HD22 LEU A 101 4.994 3.354 -8.389 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.562 2.795 -7.759 1.00 0.25 H new ATOM 1511 N SER A 102 5.267 2.491 -2.830 1.00 0.15 N ATOM 1512 CA SER A 102 4.691 2.919 -1.560 1.00 0.17 C ATOM 1513 C SER A 102 5.653 3.817 -0.802 1.00 0.15 C ATOM 1514 O SER A 102 5.240 4.625 0.031 1.00 0.18 O ATOM 1515 CB SER A 102 4.299 1.712 -0.704 1.00 0.23 C ATOM 1516 OG SER A 102 5.357 0.778 -0.615 1.00 1.01 O ATOM 0 H SER A 102 5.577 1.520 -2.853 1.00 0.15 H new ATOM 0 HA SER A 102 3.790 3.492 -1.779 1.00 0.17 H new ATOM 0 HB2 SER A 102 4.022 2.047 0.296 1.00 0.23 H new ATOM 0 HB3 SER A 102 3.421 1.230 -1.133 1.00 0.23 H new ATOM 0 HG SER A 102 5.256 0.101 -1.316 1.00 1.01 H new ATOM 1522 N VAL A 103 6.933 3.678 -1.111 1.00 0.15 N ATOM 1523 CA VAL A 103 7.969 4.473 -0.470 1.00 0.16 C ATOM 1524 C VAL A 103 7.881 5.949 -0.854 1.00 0.16 C ATOM 1525 O VAL A 103 7.803 6.797 0.024 1.00 0.18 O ATOM 1526 CB VAL A 103 9.364 3.935 -0.805 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.455 4.937 -0.434 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.598 2.617 -0.093 1.00 0.19 C ATOM 0 H VAL A 103 7.281 3.018 -1.806 1.00 0.15 H new ATOM 0 HA VAL A 103 7.803 4.392 0.604 1.00 0.16 H new ATOM 0 HB VAL A 103 9.412 3.775 -1.882 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.431 4.522 -0.686 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.301 5.864 -0.987 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.413 5.142 0.636 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.592 2.243 -0.338 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.521 2.767 0.984 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.849 1.893 -0.413 1.00 0.19 H new ATOM 1538 N PRO A 104 7.900 6.291 -2.160 1.00 0.17 N ATOM 1539 CA PRO A 104 7.719 7.678 -2.607 1.00 0.21 C ATOM 1540 C PRO A 104 6.347 8.225 -2.230 1.00 0.19 C ATOM 1541 O PRO A 104 6.126 9.438 -2.228 1.00 0.22 O ATOM 1542 CB PRO A 104 7.873 7.591 -4.129 1.00 0.27 C ATOM 1543 CG PRO A 104 7.615 6.165 -4.455 1.00 0.21 C ATOM 1544 CD PRO A 104 8.153 5.392 -3.298 1.00 0.17 C ATOM 0 HA PRO A 104 8.433 8.357 -2.141 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.166 8.247 -4.636 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.872 7.894 -4.444 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.550 5.979 -4.591 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.109 5.878 -5.383 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.644 4.435 -3.179 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.215 5.176 -3.415 1.00 0.17 H new ATOM 1552 N LEU A 105 5.418 7.318 -1.935 1.00 0.18 N ATOM 1553 CA LEU A 105 4.118 7.698 -1.395 1.00 0.19 C ATOM 1554 C LEU A 105 4.172 7.901 0.120 1.00 0.22 C ATOM 1555 O LEU A 105 3.268 8.489 0.710 1.00 0.32 O ATOM 1556 CB LEU A 105 3.082 6.635 -1.731 1.00 0.18 C ATOM 1557 CG LEU A 105 2.522 6.707 -3.149 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.335 5.777 -3.298 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.127 8.137 -3.500 1.00 0.64 C ATOM 0 H LEU A 105 5.543 6.314 -2.062 1.00 0.18 H new ATOM 0 HA LEU A 105 3.836 8.646 -1.853 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.530 5.652 -1.583 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.256 6.718 -1.025 1.00 0.18 H new ATOM 0 HG LEU A 105 3.301 6.388 -3.841 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.948 5.841 -4.315 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.647 4.753 -3.092 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.555 6.067 -2.594 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.730 8.166 -4.515 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.365 8.486 -2.803 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.003 8.783 -3.434 1.00 0.64 H new ATOM 1571 N MET A 106 5.212 7.381 0.744 1.00 0.20 N ATOM 1572 CA MET A 106 5.416 7.533 2.179 1.00 0.24 C ATOM 1573 C MET A 106 6.383 8.685 2.487 1.00 0.21 C ATOM 1574 O MET A 106 7.344 8.909 1.754 1.00 0.26 O ATOM 1575 CB MET A 106 5.920 6.202 2.762 1.00 0.33 C ATOM 1576 CG MET A 106 6.625 6.339 4.094 1.00 0.53 C ATOM 1577 SD MET A 106 6.507 4.865 5.124 1.00 0.78 S ATOM 1578 CE MET A 106 7.246 3.621 4.082 1.00 0.54 C ATOM 0 H MET A 106 5.940 6.842 0.275 1.00 0.20 H new ATOM 0 HA MET A 106 4.466 7.788 2.649 1.00 0.24 H new ATOM 0 HB2 MET A 106 5.074 5.525 2.879 1.00 0.33 H new ATOM 0 HB3 MET A 106 6.602 5.740 2.048 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.676 6.567 3.918 1.00 0.53 H new ATOM 0 HG3 MET A 106 6.202 7.185 4.635 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.749 2.879 4.702 1.00 0.54 H new ATOM 0 HE2 MET A 106 6.470 3.134 3.491 1.00 0.54 H new ATOM 0 HE3 MET A 106 7.971 4.088 3.415 1.00 0.54 H new ATOM 1588 N ASP A 107 6.113 9.422 3.566 1.00 0.18 N ATOM 1589 CA ASP A 107 6.973 10.539 3.966 1.00 0.18 C ATOM 1590 C ASP A 107 8.131 10.051 4.822 1.00 0.14 C ATOM 1591 O ASP A 107 8.028 9.035 5.519 1.00 0.13 O ATOM 1592 CB ASP A 107 6.183 11.602 4.742 1.00 0.25 C ATOM 1593 CG ASP A 107 5.700 12.748 3.873 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.710 12.576 3.131 1.00 0.92 O ATOM 1595 OD2 ASP A 107 6.302 13.847 3.943 1.00 0.97 O ATOM 0 H ASP A 107 5.310 9.267 4.176 1.00 0.18 H new ATOM 0 HA ASP A 107 7.363 10.988 3.053 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.324 11.130 5.218 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.810 12.000 5.540 1.00 0.25 H new ATOM 1600 N VAL A 108 9.242 10.771 4.758 1.00 0.16 N ATOM 1601 CA VAL A 108 10.395 10.445 5.575 1.00 0.16 C ATOM 1602 C VAL A 108 10.026 10.510 7.045 1.00 0.15 C ATOM 1603 O VAL A 108 9.546 11.529 7.538 1.00 0.19 O ATOM 1604 CB VAL A 108 11.590 11.392 5.288 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.517 11.505 6.489 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.377 10.892 4.091 1.00 0.80 C ATOM 0 H VAL A 108 9.366 11.581 4.151 1.00 0.16 H new ATOM 0 HA VAL A 108 10.704 9.431 5.320 1.00 0.16 H new ATOM 0 HB VAL A 108 11.182 12.380 5.076 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.342 12.176 6.250 1.00 0.68 H new ATOM 0 HG12 VAL A 108 11.963 11.900 7.341 1.00 0.68 H new ATOM 0 HG13 VAL A 108 12.912 10.520 6.738 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.213 11.564 3.899 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.756 9.891 4.297 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.728 10.861 3.216 1.00 0.80 H new ATOM 1616 N GLY A 109 10.249 9.406 7.725 1.00 0.15 N ATOM 1617 CA GLY A 109 10.059 9.363 9.154 1.00 0.17 C ATOM 1618 C GLY A 109 8.713 8.794 9.552 1.00 0.18 C ATOM 1619 O GLY A 109 8.310 8.909 10.711 1.00 0.28 O ATOM 0 H GLY A 109 10.562 8.528 7.310 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.849 8.761 9.603 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.156 10.370 9.559 1.00 0.17 H new ATOM 1623 N GLU A 110 8.011 8.182 8.604 1.00 0.13 N ATOM 1624 CA GLU A 110 6.726 7.579 8.901 1.00 0.13 C ATOM 1625 C GLU A 110 6.792 6.075 8.739 1.00 0.10 C ATOM 1626 O GLU A 110 7.783 5.528 8.249 1.00 0.12 O ATOM 1627 CB GLU A 110 5.599 8.151 8.035 1.00 0.17 C ATOM 1628 CG GLU A 110 5.555 7.651 6.612 1.00 0.20 C ATOM 1629 CD GLU A 110 4.284 8.033 5.866 1.00 0.27 C ATOM 1630 OE1 GLU A 110 3.914 9.232 5.875 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.634 7.143 5.286 1.00 0.39 O ATOM 0 H GLU A 110 8.311 8.093 7.633 1.00 0.13 H new ATOM 0 HA GLU A 110 6.496 7.821 9.939 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.646 7.922 8.512 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.693 9.237 8.017 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.415 8.046 6.071 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.651 6.565 6.615 1.00 0.20 H new ATOM 1638 N THR A 111 5.751 5.411 9.195 1.00 0.10 N ATOM 1639 CA THR A 111 5.643 3.987 9.049 1.00 0.11 C ATOM 1640 C THR A 111 4.291 3.663 8.454 1.00 0.11 C ATOM 1641 O THR A 111 3.249 4.025 9.012 1.00 0.12 O ATOM 1642 CB THR A 111 5.820 3.270 10.395 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.964 3.803 11.073 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.999 1.772 10.204 1.00 0.19 C ATOM 0 H THR A 111 4.963 5.847 9.674 1.00 0.10 H new ATOM 0 HA THR A 111 6.437 3.637 8.389 1.00 0.11 H new ATOM 0 HB THR A 111 4.921 3.434 10.989 1.00 0.16 H new ATOM 0 HG1 THR A 111 7.076 3.347 11.933 1.00 0.22 H new ATOM 0 HG21 THR A 111 6.122 1.293 11.176 1.00 0.19 H new ATOM 0 HG22 THR A 111 5.121 1.361 9.706 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.883 1.586 9.594 1.00 0.19 H new ATOM 1652 N ALA A 112 4.312 3.016 7.315 1.00 0.12 N ATOM 1653 CA ALA A 112 3.111 2.773 6.562 1.00 0.13 C ATOM 1654 C ALA A 112 2.846 1.290 6.434 1.00 0.12 C ATOM 1655 O ALA A 112 3.748 0.504 6.169 1.00 0.13 O ATOM 1656 CB ALA A 112 3.233 3.421 5.198 1.00 0.18 C ATOM 0 H ALA A 112 5.160 2.645 6.887 1.00 0.12 H new ATOM 0 HA ALA A 112 2.264 3.212 7.090 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.324 3.238 4.626 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.377 4.495 5.317 1.00 0.18 H new ATOM 0 HB3 ALA A 112 4.086 2.997 4.669 1.00 0.18 H new ATOM 1662 N MET A 113 1.609 0.908 6.638 1.00 0.12 N ATOM 1663 CA MET A 113 1.201 -0.456 6.414 1.00 0.12 C ATOM 1664 C MET A 113 0.569 -0.523 5.044 1.00 0.12 C ATOM 1665 O MET A 113 -0.429 0.145 4.782 1.00 0.14 O ATOM 1666 CB MET A 113 0.204 -0.921 7.478 1.00 0.16 C ATOM 1667 CG MET A 113 -0.606 -2.135 7.057 1.00 0.25 C ATOM 1668 SD MET A 113 -1.767 -2.671 8.325 1.00 0.53 S ATOM 1669 CE MET A 113 -0.663 -3.572 9.406 1.00 1.32 C ATOM 0 H MET A 113 0.865 1.526 6.960 1.00 0.12 H new ATOM 0 HA MET A 113 2.067 -1.115 6.476 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.745 -1.155 8.395 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.477 -0.102 7.710 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.154 -1.902 6.144 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.072 -2.955 6.821 1.00 0.25 H new ATOM 0 HE1 MET A 113 -0.980 -4.613 9.464 1.00 1.32 H new ATOM 0 HE2 MET A 113 0.352 -3.523 9.012 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.688 -3.130 10.402 1.00 1.32 H new ATOM 1679 N VAL A 114 1.159 -1.291 4.166 1.00 0.12 N ATOM 1680 CA VAL A 114 0.679 -1.381 2.808 1.00 0.12 C ATOM 1681 C VAL A 114 0.183 -2.777 2.541 1.00 0.13 C ATOM 1682 O VAL A 114 0.846 -3.754 2.887 1.00 0.16 O ATOM 1683 CB VAL A 114 1.795 -1.062 1.803 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.253 -0.805 0.408 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.619 0.104 2.289 1.00 0.17 C ATOM 0 H VAL A 114 1.977 -1.867 4.366 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.126 -0.656 2.688 1.00 0.12 H new ATOM 0 HB VAL A 114 2.437 -1.940 1.734 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.079 -0.584 -0.268 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.722 -1.689 0.055 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.568 0.043 0.434 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.407 0.319 1.567 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.980 0.980 2.401 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.067 -0.143 3.251 1.00 0.17 H new ATOM 1695 N THR A 115 -0.978 -2.880 1.952 1.00 0.14 N ATOM 1696 CA THR A 115 -1.459 -4.160 1.527 1.00 0.14 C ATOM 1697 C THR A 115 -1.451 -4.214 0.020 1.00 0.13 C ATOM 1698 O THR A 115 -2.143 -3.452 -0.657 1.00 0.16 O ATOM 1699 CB THR A 115 -2.849 -4.493 2.083 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.807 -4.474 3.512 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.279 -5.866 1.622 1.00 0.20 C ATOM 0 H THR A 115 -1.602 -2.097 1.758 1.00 0.14 H new ATOM 0 HA THR A 115 -0.789 -4.920 1.930 1.00 0.14 H new ATOM 0 HB THR A 115 -3.561 -3.751 1.720 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.446 -3.812 3.849 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.267 -6.091 2.023 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.315 -5.889 0.533 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.565 -6.609 1.977 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.613 -5.085 -0.479 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.422 -5.254 -1.903 1.00 0.13 C ATOM 1711 C ALA A 116 -0.640 -6.695 -2.296 1.00 0.12 C ATOM 1712 O ALA A 116 -0.199 -7.598 -1.595 1.00 0.13 O ATOM 1713 CB ALA A 116 0.973 -4.816 -2.291 1.00 0.15 C ATOM 0 H ALA A 116 -0.038 -5.704 0.093 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.149 -4.636 -2.430 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.110 -4.946 -3.365 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.110 -3.766 -2.032 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.706 -5.420 -1.756 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.340 -6.910 -3.399 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.465 -8.245 -3.959 1.00 0.13 C ATOM 1721 C ASP A 117 -0.077 -8.832 -4.134 1.00 0.11 C ATOM 1722 O ASP A 117 0.880 -8.104 -4.413 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.166 -8.207 -5.319 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.579 -9.589 -5.836 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.701 -10.451 -6.035 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.798 -9.829 -6.011 1.00 0.58 O ATOM 0 H ASP A 117 -1.827 -6.182 -3.921 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.061 -8.856 -3.280 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.052 -7.577 -5.244 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.503 -7.739 -6.047 1.00 0.16 H new ATOM 1731 N SER A 118 0.028 -10.135 -3.979 1.00 0.13 N ATOM 1732 CA SER A 118 1.294 -10.830 -4.108 1.00 0.16 C ATOM 1733 C SER A 118 1.935 -10.518 -5.462 1.00 0.13 C ATOM 1734 O SER A 118 3.146 -10.546 -5.606 1.00 0.15 O ATOM 1735 CB SER A 118 1.069 -12.329 -3.960 1.00 0.27 C ATOM 1736 OG SER A 118 2.243 -12.992 -3.529 1.00 0.82 O ATOM 0 H SER A 118 -0.761 -10.743 -3.760 1.00 0.13 H new ATOM 0 HA SER A 118 1.970 -10.492 -3.323 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.266 -12.508 -3.245 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.745 -12.745 -4.914 1.00 0.27 H new ATOM 0 HG SER A 118 2.042 -13.936 -3.360 1.00 0.82 H new ATOM 1742 N LYS A 119 1.118 -10.204 -6.448 1.00 0.13 N ATOM 1743 CA LYS A 119 1.621 -9.795 -7.754 1.00 0.14 C ATOM 1744 C LYS A 119 2.583 -8.609 -7.639 1.00 0.14 C ATOM 1745 O LYS A 119 3.541 -8.508 -8.404 1.00 0.18 O ATOM 1746 CB LYS A 119 0.460 -9.437 -8.672 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.519 -8.467 -8.060 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.517 -7.969 -9.082 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.379 -9.091 -9.623 1.00 0.38 C ATOM 1750 NZ LYS A 119 -2.991 -8.724 -10.931 1.00 0.81 N ATOM 0 H LYS A 119 0.101 -10.223 -6.374 1.00 0.13 H new ATOM 0 HA LYS A 119 2.173 -10.634 -8.178 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.855 -9.008 -9.593 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.069 -10.349 -8.947 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.048 -8.951 -7.239 1.00 0.19 H new ATOM 0 HG3 LYS A 119 0.022 -7.621 -7.636 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.153 -7.209 -8.628 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -0.986 -7.490 -9.905 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -1.775 -9.991 -9.742 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.165 -9.327 -8.905 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -3.575 -9.513 -11.275 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -3.586 -7.879 -10.811 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -2.240 -8.523 -11.622 1.00 0.81 H new ATOM 1764 N TYR A 120 2.342 -7.726 -6.670 1.00 0.13 N ATOM 1765 CA TYR A 120 3.234 -6.600 -6.445 1.00 0.15 C ATOM 1766 C TYR A 120 4.244 -6.943 -5.371 1.00 0.15 C ATOM 1767 O TYR A 120 5.057 -6.107 -4.972 1.00 0.19 O ATOM 1768 CB TYR A 120 2.455 -5.358 -6.026 1.00 0.16 C ATOM 1769 CG TYR A 120 1.407 -4.938 -7.010 1.00 0.20 C ATOM 1770 CD1 TYR A 120 1.726 -4.109 -8.071 1.00 0.28 C ATOM 1771 CD2 TYR A 120 0.101 -5.360 -6.867 1.00 0.23 C ATOM 1772 CE1 TYR A 120 0.767 -3.708 -8.974 1.00 0.34 C ATOM 1773 CE2 TYR A 120 -0.872 -4.970 -7.764 1.00 0.30 C ATOM 1774 CZ TYR A 120 -0.528 -4.181 -8.842 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.503 -3.746 -9.712 1.00 0.42 O ATOM 0 H TYR A 120 1.544 -7.771 -6.037 1.00 0.13 H new ATOM 0 HA TYR A 120 3.750 -6.389 -7.382 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.980 -5.547 -5.063 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.154 -4.534 -5.881 1.00 0.16 H new ATOM 0 HD1 TYR A 120 2.744 -3.771 -8.193 1.00 0.28 H new ATOM 0 HD2 TYR A 120 -0.163 -6.004 -6.042 1.00 0.23 H new ATOM 0 HE1 TYR A 120 1.022 -3.032 -9.777 1.00 0.34 H new ATOM 0 HE2 TYR A 120 -1.897 -5.281 -7.623 1.00 0.30 H new ATOM 0 HH TYR A 120 -2.356 -4.172 -9.486 1.00 0.42 H new ATOM 1785 N CYS A 121 4.173 -8.174 -4.907 1.00 0.14 N ATOM 1786 CA CYS A 121 5.034 -8.657 -3.852 1.00 0.15 C ATOM 1787 C CYS A 121 5.807 -9.889 -4.314 1.00 0.16 C ATOM 1788 O CYS A 121 6.878 -9.758 -4.902 1.00 0.18 O ATOM 1789 CB CYS A 121 4.197 -8.961 -2.617 1.00 0.14 C ATOM 1790 SG CYS A 121 3.354 -7.512 -1.941 1.00 0.16 S ATOM 0 H CYS A 121 3.512 -8.869 -5.254 1.00 0.14 H new ATOM 0 HA CYS A 121 5.764 -7.888 -3.599 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.455 -9.719 -2.869 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.841 -9.388 -1.848 1.00 0.14 H new ATOM 0 HG CYS A 121 2.072 -7.728 -1.917 1.00 0.16 H new ATOM 1796 N TYR A 122 5.270 -11.088 -4.078 1.00 0.16 N ATOM 1797 CA TYR A 122 5.957 -12.298 -4.517 1.00 0.18 C ATOM 1798 C TYR A 122 4.979 -13.368 -5.018 1.00 0.18 C ATOM 1799 O TYR A 122 5.173 -14.539 -4.731 1.00 0.20 O ATOM 1800 CB TYR A 122 6.795 -12.893 -3.376 1.00 0.19 C ATOM 1801 CG TYR A 122 7.578 -11.889 -2.551 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.853 -11.489 -2.929 1.00 0.21 C ATOM 1803 CD2 TYR A 122 7.030 -11.330 -1.404 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.559 -10.563 -2.186 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.731 -10.398 -0.659 1.00 0.20 C ATOM 1806 CZ TYR A 122 9.032 -10.075 -1.020 1.00 0.22 C ATOM 1807 OH TYR A 122 9.695 -9.091 -0.313 1.00 0.24 O ATOM 0 H TYR A 122 4.384 -11.243 -3.597 1.00 0.16 H new ATOM 0 HA TYR A 122 6.605 -12.004 -5.343 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.132 -13.446 -2.711 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.494 -13.614 -3.799 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.300 -11.909 -3.818 1.00 0.21 H new ATOM 0 HD2 TYR A 122 6.041 -11.627 -1.088 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.527 -10.224 -2.525 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.270 -9.926 0.196 1.00 0.20 H new ATOM 0 HH TYR A 122 9.124 -8.298 -0.242 1.00 0.24 H new ATOM 1817 N GLY A 123 3.946 -12.970 -5.771 1.00 0.19 N ATOM 1818 CA GLY A 123 2.982 -13.928 -6.314 1.00 0.21 C ATOM 1819 C GLY A 123 3.621 -15.108 -7.026 1.00 0.21 C ATOM 1820 O GLY A 123 3.858 -16.147 -6.418 1.00 0.25 O ATOM 0 H GLY A 123 3.759 -11.998 -6.015 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.358 -14.301 -5.502 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.323 -13.410 -7.010 1.00 0.21 H new ATOM 1824 N PRO A 124 3.891 -14.993 -8.330 1.00 0.25 N ATOM 1825 CA PRO A 124 4.591 -16.035 -9.080 1.00 0.30 C ATOM 1826 C PRO A 124 6.097 -15.954 -8.860 1.00 0.30 C ATOM 1827 O PRO A 124 6.882 -16.596 -9.559 1.00 0.34 O ATOM 1828 CB PRO A 124 4.239 -15.726 -10.546 1.00 0.37 C ATOM 1829 CG PRO A 124 3.299 -14.556 -10.511 1.00 0.58 C ATOM 1830 CD PRO A 124 3.516 -13.872 -9.193 1.00 0.32 C ATOM 0 HA PRO A 124 4.299 -17.039 -8.773 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.135 -15.489 -11.120 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.772 -16.587 -11.024 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.497 -13.875 -11.338 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.265 -14.886 -10.611 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.302 -13.118 -9.248 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.616 -13.369 -8.841 1.00 0.32 H new ATOM 1838 N GLN A 125 6.486 -15.153 -7.877 1.00 0.27 N ATOM 1839 CA GLN A 125 7.885 -14.869 -7.618 1.00 0.30 C ATOM 1840 C GLN A 125 8.353 -15.647 -6.403 1.00 0.32 C ATOM 1841 O GLN A 125 9.382 -16.324 -6.430 1.00 0.39 O ATOM 1842 CB GLN A 125 8.063 -13.366 -7.390 1.00 0.30 C ATOM 1843 CG GLN A 125 7.433 -12.526 -8.485 1.00 0.33 C ATOM 1844 CD GLN A 125 7.374 -11.051 -8.138 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.299 -10.292 -8.417 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.266 -10.632 -7.543 1.00 0.29 N ATOM 0 H GLN A 125 5.841 -14.685 -7.241 1.00 0.27 H new ATOM 0 HA GLN A 125 8.485 -15.173 -8.476 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.622 -13.094 -6.431 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.127 -13.136 -7.329 1.00 0.30 H new ATOM 0 HG2 GLN A 125 8.001 -12.655 -9.407 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.424 -12.889 -8.679 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.521 -11.294 -7.328 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.159 -9.647 -7.300 1.00 0.29 H new ATOM 1855 N GLY A 126 7.561 -15.550 -5.348 1.00 0.27 N ATOM 1856 CA GLY A 126 7.904 -16.138 -4.084 1.00 0.27 C ATOM 1857 C GLY A 126 8.896 -15.303 -3.318 1.00 0.28 C ATOM 1858 O GLY A 126 9.788 -14.681 -3.893 1.00 0.30 O ATOM 0 H GLY A 126 6.666 -15.060 -5.354 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.001 -16.264 -3.487 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.319 -17.132 -4.249 1.00 0.27 H new ATOM 1862 N SER A 127 8.728 -15.281 -2.017 1.00 0.27 N ATOM 1863 CA SER A 127 9.551 -14.459 -1.163 1.00 0.28 C ATOM 1864 C SER A 127 10.787 -15.220 -0.689 1.00 0.32 C ATOM 1865 O SER A 127 10.763 -16.445 -0.539 1.00 0.33 O ATOM 1866 CB SER A 127 8.710 -13.934 0.016 1.00 0.27 C ATOM 1867 OG SER A 127 9.518 -13.414 1.064 1.00 0.30 O ATOM 0 H SER A 127 8.022 -15.828 -1.524 1.00 0.27 H new ATOM 0 HA SER A 127 9.912 -13.603 -1.733 1.00 0.28 H new ATOM 0 HB2 SER A 127 8.035 -13.156 -0.340 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.089 -14.741 0.405 1.00 0.27 H new ATOM 0 HG SER A 127 9.005 -12.755 1.577 1.00 0.30 H new ATOM 1873 N ARG A 128 11.878 -14.472 -0.507 1.00 0.38 N ATOM 1874 CA ARG A 128 13.181 -15.035 -0.151 1.00 0.42 C ATOM 1875 C ARG A 128 13.120 -15.899 1.107 1.00 0.42 C ATOM 1876 O ARG A 128 13.919 -16.821 1.267 1.00 0.52 O ATOM 1877 CB ARG A 128 14.237 -13.925 0.015 1.00 0.52 C ATOM 1878 CG ARG A 128 13.913 -12.865 1.062 1.00 1.12 C ATOM 1879 CD ARG A 128 12.957 -11.801 0.536 1.00 1.41 C ATOM 1880 NE ARG A 128 13.424 -11.215 -0.719 1.00 1.81 N ATOM 1881 CZ ARG A 128 13.734 -9.927 -0.881 1.00 2.33 C ATOM 1882 NH1 ARG A 128 13.663 -9.081 0.143 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.119 -9.482 -2.073 1.00 3.17 N ATOM 0 H ARG A 128 11.882 -13.457 -0.603 1.00 0.38 H new ATOM 0 HA ARG A 128 13.475 -15.682 -0.977 1.00 0.42 H new ATOM 0 HB2 ARG A 128 15.189 -14.388 0.274 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.375 -13.431 -0.947 1.00 0.52 H new ATOM 0 HG2 ARG A 128 13.473 -13.345 1.936 1.00 1.12 H new ATOM 0 HG3 ARG A 128 14.837 -12.389 1.391 1.00 1.12 H new ATOM 0 HD2 ARG A 128 11.972 -12.242 0.385 1.00 1.41 H new ATOM 0 HD3 ARG A 128 12.844 -11.015 1.283 1.00 1.41 H new ATOM 0 HE ARG A 128 13.519 -11.832 -1.525 1.00 1.81 H new ATOM 0 HH11 ARG A 128 13.370 -9.415 1.061 1.00 2.45 H new ATOM 0 HH12 ARG A 128 13.902 -8.098 0.010 1.00 2.45 H new ATOM 0 HH21 ARG A 128 14.177 -10.125 -2.863 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.356 -8.498 -2.198 1.00 3.17 H new ATOM 1897 N SER A 129 12.190 -15.610 2.000 1.00 0.42 N ATOM 1898 CA SER A 129 11.994 -16.468 3.151 1.00 0.44 C ATOM 1899 C SER A 129 10.930 -17.527 2.808 1.00 0.41 C ATOM 1900 O SER A 129 11.268 -18.702 2.662 1.00 0.44 O ATOM 1901 CB SER A 129 11.643 -15.646 4.402 1.00 0.48 C ATOM 1902 OG SER A 129 11.570 -16.458 5.559 1.00 1.23 O ATOM 0 H SER A 129 11.569 -14.802 1.952 1.00 0.42 H new ATOM 0 HA SER A 129 12.922 -16.987 3.392 1.00 0.44 H new ATOM 0 HB2 SER A 129 12.393 -14.869 4.549 1.00 0.48 H new ATOM 0 HB3 SER A 129 10.688 -15.142 4.250 1.00 0.48 H new ATOM 0 HG SER A 129 11.347 -15.903 6.335 1.00 1.23 H new ATOM 1908 N PRO A 130 9.633 -17.158 2.659 1.00 0.37 N ATOM 1909 CA PRO A 130 8.620 -18.062 2.158 1.00 0.36 C ATOM 1910 C PRO A 130 8.229 -17.741 0.720 1.00 0.32 C ATOM 1911 O PRO A 130 7.914 -16.601 0.406 1.00 0.27 O ATOM 1912 CB PRO A 130 7.424 -17.751 3.074 1.00 0.37 C ATOM 1913 CG PRO A 130 7.732 -16.419 3.706 1.00 0.37 C ATOM 1914 CD PRO A 130 8.987 -15.907 3.045 1.00 0.37 C ATOM 0 HA PRO A 130 8.954 -19.100 2.160 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.495 -17.709 2.505 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.299 -18.525 3.832 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.906 -15.722 3.562 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.876 -16.525 4.781 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.770 -15.273 2.185 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.602 -15.320 3.727 1.00 0.37 H new ATOM 1922 N TYR A 131 8.249 -18.724 -0.158 1.00 0.33 N ATOM 1923 CA TYR A 131 7.580 -18.578 -1.440 1.00 0.32 C ATOM 1924 C TYR A 131 6.126 -18.222 -1.182 1.00 0.30 C ATOM 1925 O TYR A 131 5.312 -19.085 -0.851 1.00 0.32 O ATOM 1926 CB TYR A 131 7.700 -19.864 -2.274 1.00 0.36 C ATOM 1927 CG TYR A 131 6.696 -19.984 -3.411 1.00 0.45 C ATOM 1928 CD1 TYR A 131 6.743 -19.136 -4.512 1.00 1.00 C ATOM 1929 CD2 TYR A 131 5.699 -20.951 -3.372 1.00 0.78 C ATOM 1930 CE1 TYR A 131 5.822 -19.251 -5.540 1.00 1.14 C ATOM 1931 CE2 TYR A 131 4.779 -21.072 -4.398 1.00 0.87 C ATOM 1932 CZ TYR A 131 4.843 -20.220 -5.477 1.00 0.81 C ATOM 1933 OH TYR A 131 3.935 -20.342 -6.503 1.00 1.00 O ATOM 0 H TYR A 131 8.713 -19.621 -0.013 1.00 0.33 H new ATOM 0 HA TYR A 131 8.054 -17.783 -2.016 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.706 -19.918 -2.690 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.582 -20.722 -1.612 1.00 0.36 H new ATOM 0 HD1 TYR A 131 7.509 -18.377 -4.566 1.00 1.00 H new ATOM 0 HD2 TYR A 131 5.641 -21.620 -2.526 1.00 0.78 H new ATOM 0 HE1 TYR A 131 5.870 -18.584 -6.388 1.00 1.14 H new ATOM 0 HE2 TYR A 131 4.013 -21.832 -4.352 1.00 0.87 H new ATOM 0 HH TYR A 131 3.313 -21.073 -6.304 1.00 1.00 H new ATOM 1943 N ILE A 132 5.833 -16.931 -1.248 1.00 0.27 N ATOM 1944 CA ILE A 132 4.499 -16.449 -0.994 1.00 0.26 C ATOM 1945 C ILE A 132 3.568 -16.936 -2.099 1.00 0.25 C ATOM 1946 O ILE A 132 3.857 -16.733 -3.275 1.00 0.25 O ATOM 1947 CB ILE A 132 4.449 -14.904 -0.941 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.481 -14.308 0.014 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.062 -14.445 -0.546 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.476 -14.889 1.400 1.00 0.23 C ATOM 0 H ILE A 132 6.510 -16.203 -1.477 1.00 0.27 H new ATOM 0 HA ILE A 132 4.183 -16.835 -0.025 1.00 0.26 H new ATOM 0 HB ILE A 132 4.694 -14.546 -1.941 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.473 -14.444 -0.417 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.309 -13.234 0.086 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.035 -13.356 -0.511 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.338 -14.802 -1.278 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.812 -14.846 0.436 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.243 -14.401 2.002 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.500 -14.730 1.858 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.682 -15.958 1.347 1.00 0.23 H new ATOM 1962 N PRO A 133 2.462 -17.603 -1.739 1.00 0.27 N ATOM 1963 CA PRO A 133 1.483 -18.081 -2.717 1.00 0.28 C ATOM 1964 C PRO A 133 1.007 -16.959 -3.632 1.00 0.26 C ATOM 1965 O PRO A 133 0.751 -15.838 -3.175 1.00 0.26 O ATOM 1966 CB PRO A 133 0.320 -18.600 -1.859 1.00 0.34 C ATOM 1967 CG PRO A 133 0.580 -18.091 -0.478 1.00 0.61 C ATOM 1968 CD PRO A 133 2.070 -17.940 -0.367 1.00 0.31 C ATOM 0 HA PRO A 133 1.904 -18.842 -3.374 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.637 -18.239 -2.236 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.278 -19.689 -1.874 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.078 -17.138 -0.312 1.00 0.61 H new ATOM 0 HG3 PRO A 133 0.201 -18.786 0.272 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.346 -17.155 0.337 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.546 -18.859 -0.024 1.00 0.31 H new ATOM 1976 N PRO A 134 0.918 -17.232 -4.943 1.00 0.27 N ATOM 1977 CA PRO A 134 0.475 -16.244 -5.921 1.00 0.25 C ATOM 1978 C PRO A 134 -0.863 -15.626 -5.551 1.00 0.27 C ATOM 1979 O PRO A 134 -1.827 -16.330 -5.235 1.00 0.32 O ATOM 1980 CB PRO A 134 0.374 -17.037 -7.225 1.00 0.29 C ATOM 1981 CG PRO A 134 1.325 -18.167 -7.045 1.00 0.52 C ATOM 1982 CD PRO A 134 1.260 -18.519 -5.582 1.00 0.33 C ATOM 0 HA PRO A 134 1.162 -15.401 -5.986 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.641 -17.395 -7.395 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.644 -16.424 -8.085 1.00 0.29 H new ATOM 0 HG2 PRO A 134 1.045 -19.018 -7.666 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.336 -17.879 -7.335 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.506 -19.281 -5.384 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.211 -18.910 -5.219 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.883 -14.300 -5.563 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.079 -13.503 -5.260 1.00 0.31 C ATOM 1992 C HIS A 135 -2.413 -13.475 -3.773 1.00 0.32 C ATOM 1993 O HIS A 135 -3.489 -13.022 -3.391 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.305 -13.984 -6.043 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.323 -13.541 -7.461 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.611 -12.253 -7.840 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -3.095 -14.229 -8.602 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.561 -12.166 -9.153 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -3.248 -13.351 -9.640 1.00 2.25 N ATOM 0 H HIS A 135 -0.063 -13.735 -5.785 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.831 -12.489 -5.572 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.340 -15.073 -6.012 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.206 -13.622 -5.548 1.00 0.41 H new ATOM 0 HD1 HIS A 135 -3.829 -11.485 -7.205 1.00 1.81 H new ATOM 0 HD2 HIS A 135 -2.840 -15.276 -8.680 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -3.745 -11.274 -9.734 1.00 2.38 H new ATOM 2008 N ALA A 136 -1.509 -13.949 -2.929 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.689 -13.782 -1.497 1.00 0.24 C ATOM 2010 C ALA A 136 -1.479 -12.317 -1.159 1.00 0.21 C ATOM 2011 O ALA A 136 -0.399 -11.774 -1.394 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.730 -14.660 -0.708 1.00 0.26 C ATOM 0 H ALA A 136 -0.660 -14.443 -3.204 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.697 -14.090 -1.221 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -0.893 -14.509 0.359 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -0.906 -15.706 -0.958 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.297 -14.395 -0.959 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.502 -11.676 -0.625 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.435 -10.249 -0.386 1.00 0.19 C ATOM 2020 C ALA A 137 -1.523 -9.965 0.793 1.00 0.16 C ATOM 2021 O ALA A 137 -1.806 -10.343 1.930 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.824 -9.673 -0.158 1.00 0.22 C ATOM 0 H ALA A 137 -3.380 -12.117 -0.351 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.020 -9.763 -1.269 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.748 -8.600 0.019 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.441 -9.853 -1.038 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.279 -10.153 0.708 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.415 -9.318 0.500 1.00 0.13 N ATOM 2029 CA LEU A 138 0.612 -9.079 1.482 1.00 0.12 C ATOM 2030 C LEU A 138 0.356 -7.786 2.231 1.00 0.13 C ATOM 2031 O LEU A 138 0.089 -6.749 1.627 1.00 0.15 O ATOM 2032 CB LEU A 138 1.975 -9.029 0.802 1.00 0.13 C ATOM 2033 CG LEU A 138 2.943 -10.118 1.254 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.290 -11.481 1.173 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.217 -10.088 0.437 1.00 0.19 C ATOM 0 H LEU A 138 -0.204 -8.945 -0.426 1.00 0.13 H new ATOM 0 HA LEU A 138 0.598 -9.897 2.202 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.833 -9.110 -0.276 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.427 -8.056 0.992 1.00 0.13 H new ATOM 0 HG LEU A 138 3.205 -9.923 2.294 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.997 -12.243 1.500 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.411 -11.502 1.817 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.991 -11.681 0.144 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.888 -10.875 0.781 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.979 -10.248 -0.615 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.702 -9.119 0.555 1.00 0.19 H new ATOM 2047 N CYS A 139 0.443 -7.850 3.542 1.00 0.13 N ATOM 2048 CA CYS A 139 0.270 -6.685 4.380 1.00 0.14 C ATOM 2049 C CYS A 139 1.578 -6.391 5.088 1.00 0.13 C ATOM 2050 O CYS A 139 1.922 -7.025 6.087 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.830 -6.937 5.402 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.525 -5.442 6.135 1.00 1.20 S ATOM 0 H CYS A 139 0.635 -8.710 4.056 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.016 -5.831 3.766 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.632 -7.499 4.923 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.432 -7.566 6.198 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.167 -4.771 5.225 1.00 1.20 H new ATOM 2058 N LEU A 140 2.312 -5.441 4.564 1.00 0.13 N ATOM 2059 CA LEU A 140 3.640 -5.158 5.061 1.00 0.14 C ATOM 2060 C LEU A 140 3.713 -3.797 5.730 1.00 0.13 C ATOM 2061 O LEU A 140 3.206 -2.802 5.217 1.00 0.12 O ATOM 2062 CB LEU A 140 4.644 -5.251 3.924 1.00 0.17 C ATOM 2063 CG LEU A 140 4.288 -4.448 2.682 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.235 -3.274 2.544 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.343 -5.328 1.442 1.00 0.32 C ATOM 0 H LEU A 140 2.013 -4.847 3.790 1.00 0.13 H new ATOM 0 HA LEU A 140 3.884 -5.902 5.819 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.615 -4.916 4.289 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.754 -6.298 3.642 1.00 0.17 H new ATOM 0 HG LEU A 140 3.270 -4.072 2.784 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.977 -2.701 1.653 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.153 -2.635 3.423 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.258 -3.640 2.456 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.085 -4.736 0.564 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.349 -5.730 1.326 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.634 -6.149 1.547 1.00 0.32 H new ATOM 2077 N GLU A 141 4.347 -3.773 6.883 1.00 0.14 N ATOM 2078 CA GLU A 141 4.539 -2.553 7.639 1.00 0.13 C ATOM 2079 C GLU A 141 5.951 -2.035 7.391 1.00 0.12 C ATOM 2080 O GLU A 141 6.924 -2.691 7.749 1.00 0.15 O ATOM 2081 CB GLU A 141 4.294 -2.860 9.120 1.00 0.18 C ATOM 2082 CG GLU A 141 4.612 -1.731 10.086 1.00 0.26 C ATOM 2083 CD GLU A 141 4.329 -2.134 11.526 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.861 -3.176 11.974 1.00 1.00 O ATOM 2085 OE2 GLU A 141 3.557 -1.430 12.211 1.00 1.05 O ATOM 0 H GLU A 141 4.745 -4.602 7.324 1.00 0.14 H new ATOM 0 HA GLU A 141 3.839 -1.777 7.328 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.248 -3.139 9.247 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.891 -3.729 9.396 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.660 -1.449 9.985 1.00 0.26 H new ATOM 0 HG3 GLU A 141 4.019 -0.853 9.829 1.00 0.26 H new ATOM 2092 N VAL A 142 6.064 -0.885 6.738 1.00 0.12 N ATOM 2093 CA VAL A 142 7.363 -0.353 6.355 1.00 0.12 C ATOM 2094 C VAL A 142 7.687 0.966 7.051 1.00 0.12 C ATOM 2095 O VAL A 142 6.951 1.943 6.947 1.00 0.15 O ATOM 2096 CB VAL A 142 7.484 -0.173 4.825 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.810 -1.496 4.167 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.203 0.386 4.236 1.00 0.19 C ATOM 0 H VAL A 142 5.272 -0.304 6.463 1.00 0.12 H new ATOM 0 HA VAL A 142 8.090 -1.096 6.682 1.00 0.12 H new ATOM 0 HB VAL A 142 8.290 0.536 4.635 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.893 -1.356 3.089 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.755 -1.873 4.557 1.00 0.19 H new ATOM 0 HG13 VAL A 142 7.017 -2.213 4.380 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.318 0.502 3.158 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.379 -0.298 4.442 1.00 0.19 H new ATOM 0 HG23 VAL A 142 5.990 1.356 4.684 1.00 0.19 H new ATOM 2108 N THR A 143 8.790 0.961 7.781 1.00 0.13 N ATOM 2109 CA THR A 143 9.351 2.171 8.373 1.00 0.13 C ATOM 2110 C THR A 143 10.292 2.837 7.385 1.00 0.12 C ATOM 2111 O THR A 143 11.259 2.222 6.936 1.00 0.15 O ATOM 2112 CB THR A 143 10.166 1.832 9.636 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.435 0.917 10.465 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.497 3.088 10.431 1.00 0.22 C ATOM 0 H THR A 143 9.326 0.117 7.982 1.00 0.13 H new ATOM 0 HA THR A 143 8.523 2.832 8.629 1.00 0.13 H new ATOM 0 HB THR A 143 11.100 1.369 9.317 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.962 0.707 11.264 1.00 0.28 H new ATOM 0 HG21 THR A 143 11.072 2.817 11.316 1.00 0.22 H new ATOM 0 HG22 THR A 143 11.083 3.767 9.811 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.573 3.580 10.735 1.00 0.22 H new ATOM 2122 N LEU A 144 10.016 4.077 7.039 1.00 0.13 N ATOM 2123 CA LEU A 144 10.947 4.845 6.239 1.00 0.12 C ATOM 2124 C LEU A 144 11.826 5.647 7.169 1.00 0.12 C ATOM 2125 O LEU A 144 11.474 6.746 7.596 1.00 0.14 O ATOM 2126 CB LEU A 144 10.208 5.755 5.260 1.00 0.14 C ATOM 2127 CG LEU A 144 11.092 6.512 4.269 1.00 0.12 C ATOM 2128 CD1 LEU A 144 11.921 5.540 3.438 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.234 7.385 3.369 1.00 0.13 C ATOM 0 H LEU A 144 9.162 4.572 7.296 1.00 0.13 H new ATOM 0 HA LEU A 144 11.563 4.171 5.643 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.496 5.152 4.697 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.629 6.481 5.832 1.00 0.14 H new ATOM 0 HG LEU A 144 11.776 7.150 4.828 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.543 6.098 2.739 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.556 4.948 4.097 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.257 4.877 2.883 1.00 0.15 H new ATOM 0 HD21 LEU A 144 10.872 7.921 2.666 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.532 6.760 2.818 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.682 8.102 3.977 1.00 0.13 H new ATOM 2141 N LYS A 145 12.962 5.066 7.497 1.00 0.14 N ATOM 2142 CA LYS A 145 13.839 5.624 8.505 1.00 0.17 C ATOM 2143 C LYS A 145 14.762 6.651 7.897 1.00 0.16 C ATOM 2144 O LYS A 145 15.162 7.616 8.551 1.00 0.21 O ATOM 2145 CB LYS A 145 14.676 4.517 9.164 1.00 0.26 C ATOM 2146 CG LYS A 145 13.850 3.400 9.752 1.00 0.40 C ATOM 2147 CD LYS A 145 13.710 2.214 8.813 1.00 0.60 C ATOM 2148 CE LYS A 145 15.054 1.636 8.407 1.00 0.38 C ATOM 2149 NZ LYS A 145 15.768 0.992 9.544 1.00 1.08 N ATOM 0 H LYS A 145 13.301 4.201 7.076 1.00 0.14 H new ATOM 0 HA LYS A 145 13.217 6.104 9.261 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.359 4.101 8.423 1.00 0.26 H new ATOM 0 HB3 LYS A 145 15.289 4.957 9.951 1.00 0.26 H new ATOM 0 HG2 LYS A 145 14.308 3.068 10.684 1.00 0.40 H new ATOM 0 HG3 LYS A 145 12.859 3.779 10.001 1.00 0.40 H new ATOM 0 HD2 LYS A 145 13.115 1.439 9.297 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.166 2.523 7.921 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.905 0.903 7.614 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.677 2.430 7.994 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 16.787 1.188 9.470 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 15.406 1.373 10.442 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 15.611 -0.036 9.515 1.00 1.08 H new ATOM 2163 N THR A 146 15.097 6.448 6.639 1.00 0.16 N ATOM 2164 CA THR A 146 16.147 7.216 6.023 1.00 0.19 C ATOM 2165 C THR A 146 16.006 7.242 4.510 1.00 0.17 C ATOM 2166 O THR A 146 15.570 6.266 3.899 1.00 0.16 O ATOM 2167 CB THR A 146 17.500 6.587 6.385 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.672 6.554 7.808 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.669 7.328 5.754 1.00 0.37 C ATOM 0 H THR A 146 14.656 5.759 6.029 1.00 0.16 H new ATOM 0 HA THR A 146 16.082 8.240 6.390 1.00 0.19 H new ATOM 0 HB THR A 146 17.492 5.572 5.988 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.538 6.149 8.024 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.603 6.845 6.040 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.568 7.310 4.669 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.674 8.361 6.100 1.00 0.37 H new ATOM 2177 N ALA A 147 16.371 8.368 3.918 1.00 0.20 N ATOM 2178 CA ALA A 147 16.472 8.478 2.480 1.00 0.19 C ATOM 2179 C ALA A 147 17.730 9.249 2.121 1.00 0.22 C ATOM 2180 O ALA A 147 17.960 10.339 2.647 1.00 0.25 O ATOM 2181 CB ALA A 147 15.244 9.174 1.916 1.00 0.21 C ATOM 0 H ALA A 147 16.603 9.224 4.421 1.00 0.20 H new ATOM 0 HA ALA A 147 16.527 7.480 2.046 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.334 9.250 0.832 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.353 8.599 2.167 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.163 10.173 2.344 1.00 0.21 H new ATOM 2187 N VAL A 148 18.549 8.692 1.241 1.00 0.24 N ATOM 2188 CA VAL A 148 19.777 9.363 0.840 1.00 0.31 C ATOM 2189 C VAL A 148 19.894 9.347 -0.672 1.00 0.34 C ATOM 2190 O VAL A 148 19.469 8.396 -1.320 1.00 0.36 O ATOM 2191 CB VAL A 148 21.038 8.716 1.476 1.00 0.42 C ATOM 2192 CG1 VAL A 148 20.882 8.600 2.985 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.337 7.350 0.876 1.00 0.75 C ATOM 0 H VAL A 148 18.389 7.788 0.796 1.00 0.24 H new ATOM 0 HA VAL A 148 19.725 10.390 1.201 1.00 0.31 H new ATOM 0 HB VAL A 148 21.881 9.371 1.255 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.777 8.144 3.409 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.742 9.592 3.414 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.015 7.980 3.215 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.226 6.932 1.348 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.490 6.685 1.045 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.509 7.453 -0.195 1.00 0.75 H new