USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 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 73 SER OG : rot 75:sc= -0.478! USER MOD Set 1.2: A 139 CYS SG : rot -95:sc= -6.63! USER MOD Set 2.1: A 81 GLN : amide:sc= 0.638 K(o=0.12,f=-1.4!) USER MOD Set 2.2: A 122 TYR OH : rot -131:sc= 0.0303 USER MOD Set 2.3: A 127 SER OG : rot 60:sc= -0.551 USER MOD Set 3.1: A 42 ASN : amide:sc= -8.02! C(o=-7.4!,f=-3.3!) USER MOD Set 3.2: A 120 TYR OH : rot 77:sc= 0.593 USER MOD Set 4.1: A 102 SER OG : rot -120:sc= -0.449 USER MOD Set 4.2: A 106 MET CE :methyl -129:sc= -3.59! (180deg=-7.98!) USER MOD Set 5.1: A 93 CYS SG : rot 180:sc= 0.991 USER MOD Set 5.2: A 97 GLN : amide:sc= -0.959 K(o=0.032,f=1.8) USER MOD Set 6.1: A 76 ASN : amide:sc= 0.611 K(o=1.8,f=0.74) USER MOD Set 6.2: A 78 THR OG1 : rot 84:sc= 1.2 USER MOD Set 7.1: A 69 HIS : no HE2:sc= -8.76! C(o=-16!,f=-13!) USER MOD Set 7.2: A 71 GLN : amide:sc= -7.65! C(o=-16!,f=-11!) USER MOD Set 8.1: A 67 THR OG1 : rot 51:sc= -2.09! USER MOD Set 8.2: A 146 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0.788 (180deg=0.614) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.01) USER MOD Single : A 49 THR OG1 : rot 50:sc= 0.141 USER MOD Single : A 57 SER OG : rot -22:sc= 0.772 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -5.48! K(o=-5.5!,f=-0.59) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0525 USER MOD Single : A 113 MET CE :methyl -155:sc= -0.225 (180deg=-0.933) USER MOD Single : A 115 THR OG1 : rot 117:sc= 0.931 USER MOD Single : A 118 SER OG : rot 70:sc= -0.124 USER MOD Single : A 119 LYS NZ :NH3+ 149:sc= -0.119 (180deg=-0.651!) USER MOD Single : A 121 CYS SG : rot 122:sc= -1.73 USER MOD Single : A 125 GLN : amide:sc= -0.144 X(o=-0.14,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 HD1:sc= -0.138 X(o=-0.14,f=-0.27) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -151:sc= 2.34 (180deg=0.724) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.919 1.403 2.843 1.00 0.53 N ATOM 490 CA TRP A 36 -7.026 2.556 2.791 1.00 0.45 C ATOM 491 C TRP A 36 -6.895 3.118 1.380 1.00 0.46 C ATOM 492 O TRP A 36 -7.664 2.783 0.479 1.00 0.52 O ATOM 493 CB TRP A 36 -5.628 2.181 3.288 1.00 0.38 C ATOM 494 CG TRP A 36 -5.599 1.055 4.270 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.431 0.852 5.333 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.661 -0.017 4.291 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.079 -0.295 5.998 1.00 0.36 N ATOM 498 CE2 TRP A 36 -4.990 -0.841 5.381 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.572 -0.362 3.489 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.277 -1.990 5.684 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.868 -1.495 3.798 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.217 -2.296 4.884 1.00 0.19 C ATOM 0 HA TRP A 36 -7.468 3.316 3.435 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.011 1.914 2.430 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.172 3.058 3.747 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.249 1.501 5.610 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.552 -0.677 6.817 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.291 0.250 2.645 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.550 -2.617 6.520 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.023 -1.774 3.186 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.634 -3.180 5.096 1.00 0.19 H new ATOM 513 N LEU A 37 -5.882 3.963 1.210 1.00 0.43 N ATOM 514 CA LEU A 37 -5.609 4.639 -0.051 1.00 0.42 C ATOM 515 C LEU A 37 -4.932 3.706 -1.040 1.00 0.37 C ATOM 516 O LEU A 37 -3.886 3.130 -0.742 1.00 0.35 O ATOM 517 CB LEU A 37 -4.694 5.838 0.197 1.00 0.45 C ATOM 518 CG LEU A 37 -4.378 6.687 -1.037 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.630 7.367 -1.560 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.310 7.720 -0.720 1.00 0.50 C ATOM 0 H LEU A 37 -5.223 4.199 1.952 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.561 4.966 -0.470 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.157 6.478 0.949 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.756 5.477 0.619 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.998 6.023 -1.813 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.380 7.964 -2.437 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.367 6.612 -1.833 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -6.043 8.014 -0.786 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -3.101 8.312 -1.611 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.662 8.375 0.077 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.399 7.215 -0.398 1.00 0.50 H new ATOM 532 N ASP A 38 -5.523 3.575 -2.215 1.00 0.38 N ATOM 533 CA ASP A 38 -4.930 2.777 -3.275 1.00 0.41 C ATOM 534 C ASP A 38 -3.796 3.519 -3.946 1.00 0.39 C ATOM 535 O ASP A 38 -3.973 4.628 -4.450 1.00 0.44 O ATOM 536 CB ASP A 38 -5.964 2.395 -4.321 1.00 0.56 C ATOM 537 CG ASP A 38 -6.271 0.926 -4.303 1.00 1.78 C ATOM 538 OD1 ASP A 38 -5.474 0.142 -4.851 1.00 2.14 O ATOM 539 OD2 ASP A 38 -7.315 0.553 -3.725 1.00 2.51 O ATOM 0 H ASP A 38 -6.412 4.010 -2.459 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.541 1.870 -2.812 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.881 2.958 -4.146 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -5.600 2.677 -5.309 1.00 0.56 H new ATOM 544 N ILE A 39 -2.633 2.895 -3.948 1.00 0.38 N ATOM 545 CA ILE A 39 -1.460 3.443 -4.600 1.00 0.38 C ATOM 546 C ILE A 39 -1.686 3.583 -6.102 1.00 0.39 C ATOM 547 O ILE A 39 -1.311 4.587 -6.702 1.00 0.46 O ATOM 548 CB ILE A 39 -0.227 2.553 -4.330 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.041 2.394 -2.815 1.00 0.40 C ATOM 550 CG2 ILE A 39 1.018 3.130 -4.990 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.325 1.880 -2.401 1.00 0.43 C ATOM 0 H ILE A 39 -2.476 1.994 -3.497 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.277 4.435 -4.186 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.389 1.568 -4.768 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.213 3.358 -2.337 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.802 1.711 -2.438 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.871 2.484 -4.784 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.863 3.194 -6.067 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.212 4.126 -4.592 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.369 1.798 -1.315 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.495 0.900 -2.846 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.094 2.573 -2.744 1.00 0.43 H new ATOM 563 N LEU A 40 -2.320 2.584 -6.703 1.00 0.39 N ATOM 564 CA LEU A 40 -2.574 2.610 -8.137 1.00 0.49 C ATOM 565 C LEU A 40 -4.062 2.718 -8.436 1.00 0.49 C ATOM 566 O LEU A 40 -4.470 2.750 -9.597 1.00 0.62 O ATOM 567 CB LEU A 40 -1.984 1.369 -8.802 1.00 0.56 C ATOM 568 CG LEU A 40 -0.467 1.209 -8.658 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.008 -0.065 -9.347 1.00 0.62 C ATOM 570 CD2 LEU A 40 0.259 2.416 -9.239 1.00 0.72 C ATOM 0 H LEU A 40 -2.665 1.752 -6.224 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.088 3.495 -8.548 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.468 0.487 -8.382 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.231 1.393 -9.863 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.225 1.143 -7.597 1.00 0.59 H new ATOM 0 HD11 LEU A 40 1.072 -0.169 -9.238 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -0.503 -0.923 -8.892 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.263 -0.018 -10.406 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.335 2.282 -9.127 1.00 0.72 H new ATOM 0 HD22 LEU A 40 0.014 2.514 -10.297 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.052 3.317 -8.710 1.00 0.72 H new ATOM 582 N GLY A 41 -4.869 2.784 -7.384 1.00 0.43 N ATOM 583 CA GLY A 41 -6.308 2.863 -7.552 1.00 0.51 C ATOM 584 C GLY A 41 -6.870 1.574 -8.099 1.00 0.45 C ATOM 585 O GLY A 41 -7.922 1.555 -8.736 1.00 0.52 O ATOM 0 H GLY A 41 -4.551 2.784 -6.415 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.776 3.088 -6.594 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.553 3.684 -8.227 1.00 0.51 H new ATOM 589 N ASN A 42 -6.140 0.493 -7.868 1.00 0.39 N ATOM 590 CA ASN A 42 -6.531 -0.814 -8.384 1.00 0.42 C ATOM 591 C ASN A 42 -7.273 -1.673 -7.355 1.00 0.43 C ATOM 592 O ASN A 42 -8.033 -2.561 -7.725 1.00 0.56 O ATOM 593 CB ASN A 42 -5.319 -1.570 -8.947 1.00 0.49 C ATOM 594 CG ASN A 42 -4.051 -1.502 -8.099 1.00 0.55 C ATOM 595 OD1 ASN A 42 -2.952 -1.608 -8.629 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.172 -1.311 -6.796 1.00 0.44 N ATOM 0 H ASN A 42 -5.275 0.493 -7.328 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.235 -0.621 -9.193 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -5.593 -2.617 -9.076 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.094 -1.175 -9.938 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.339 -1.249 -6.210 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -5.098 -1.226 -6.377 1.00 0.44 H new ATOM 603 N GLY A 43 -7.048 -1.416 -6.077 1.00 0.40 N ATOM 604 CA GLY A 43 -7.735 -2.149 -5.027 1.00 0.50 C ATOM 605 C GLY A 43 -6.858 -3.207 -4.395 1.00 0.45 C ATOM 606 O GLY A 43 -7.121 -3.668 -3.286 1.00 0.72 O ATOM 0 H GLY A 43 -6.396 -0.707 -5.742 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.069 -1.451 -4.259 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.627 -2.619 -5.440 1.00 0.50 H new ATOM 610 N LEU A 44 -5.805 -3.585 -5.102 1.00 0.29 N ATOM 611 CA LEU A 44 -4.908 -4.631 -4.635 1.00 0.36 C ATOM 612 C LEU A 44 -3.782 -4.035 -3.804 1.00 0.25 C ATOM 613 O LEU A 44 -3.228 -4.695 -2.929 1.00 0.27 O ATOM 614 CB LEU A 44 -4.302 -5.417 -5.820 1.00 0.60 C ATOM 615 CG LEU A 44 -5.281 -6.234 -6.674 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.091 -7.178 -5.803 1.00 1.46 C ATOM 617 CD2 LEU A 44 -6.191 -5.324 -7.493 1.00 1.56 C ATOM 0 H LEU A 44 -5.550 -3.182 -6.004 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.494 -5.315 -4.020 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -3.790 -4.709 -6.472 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.544 -6.095 -5.427 1.00 0.60 H new ATOM 0 HG LEU A 44 -4.700 -6.833 -7.375 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -6.779 -7.748 -6.427 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -5.419 -7.862 -5.285 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.657 -6.602 -5.071 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -6.873 -5.931 -8.088 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -6.765 -4.685 -6.822 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -5.586 -4.705 -8.155 1.00 1.56 H new ATOM 629 N LEU A 45 -3.435 -2.794 -4.109 1.00 0.23 N ATOM 630 CA LEU A 45 -2.268 -2.154 -3.527 1.00 0.22 C ATOM 631 C LEU A 45 -2.632 -0.853 -2.803 1.00 0.22 C ATOM 632 O LEU A 45 -2.955 0.148 -3.442 1.00 0.32 O ATOM 633 CB LEU A 45 -1.251 -1.916 -4.634 1.00 0.30 C ATOM 634 CG LEU A 45 -0.104 -0.977 -4.286 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.647 -1.485 -3.068 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.825 -0.832 -5.477 1.00 0.31 C ATOM 0 H LEU A 45 -3.952 -2.206 -4.763 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.837 -2.807 -2.768 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.832 -2.878 -4.930 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.774 -1.515 -5.502 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.510 0.005 -4.043 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.463 -0.802 -2.833 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.034 -1.543 -2.219 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.051 -2.476 -3.277 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.643 -0.159 -5.221 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.229 -1.808 -5.744 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.271 -0.424 -6.323 1.00 0.31 H new ATOM 648 N ARG A 46 -2.556 -0.867 -1.472 1.00 0.20 N ATOM 649 CA ARG A 46 -3.006 0.270 -0.661 1.00 0.22 C ATOM 650 C ARG A 46 -2.062 0.550 0.503 1.00 0.19 C ATOM 651 O ARG A 46 -1.582 -0.375 1.151 1.00 0.19 O ATOM 652 CB ARG A 46 -4.406 -0.021 -0.139 1.00 0.25 C ATOM 653 CG ARG A 46 -5.373 -0.360 -1.260 1.00 0.36 C ATOM 654 CD ARG A 46 -6.773 -0.627 -0.762 1.00 0.37 C ATOM 655 NE ARG A 46 -6.798 -1.652 0.276 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.917 -2.131 0.801 1.00 0.75 C ATOM 657 NH1 ARG A 46 -9.088 -1.758 0.304 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.869 -3.004 1.803 1.00 0.99 N ATOM 0 H ARG A 46 -2.188 -1.650 -0.931 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.013 1.160 -1.291 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.364 -0.850 0.567 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.776 0.846 0.409 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.397 0.463 -1.975 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.009 -1.237 -1.795 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.201 0.296 -0.370 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.401 -0.940 -1.596 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.909 -2.019 0.615 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.125 -1.105 -0.479 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.952 -2.124 0.704 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.968 -3.308 2.172 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.733 -3.369 2.203 1.00 0.99 H new ATOM 672 N LYS A 47 -1.832 1.830 0.776 1.00 0.20 N ATOM 673 CA LYS A 47 -0.897 2.267 1.809 1.00 0.17 C ATOM 674 C LYS A 47 -1.655 2.952 2.951 1.00 0.18 C ATOM 675 O LYS A 47 -2.385 3.918 2.721 1.00 0.22 O ATOM 676 CB LYS A 47 0.103 3.260 1.189 1.00 0.23 C ATOM 677 CG LYS A 47 1.430 3.361 1.924 1.00 0.25 C ATOM 678 CD LYS A 47 2.149 4.668 1.625 1.00 0.32 C ATOM 679 CE LYS A 47 1.558 5.834 2.419 1.00 0.20 C ATOM 680 NZ LYS A 47 2.544 6.932 2.658 1.00 0.35 N ATOM 0 H LYS A 47 -2.291 2.598 0.285 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.367 1.402 2.207 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.295 2.966 0.157 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.357 4.248 1.158 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.257 3.280 2.997 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.067 2.523 1.639 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.207 4.564 1.865 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.083 4.884 0.559 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.698 6.235 1.882 1.00 0.20 H new ATOM 0 HE3 LYS A 47 1.192 5.466 3.377 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 2.065 7.737 3.110 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.303 6.588 3.280 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.951 7.236 1.751 1.00 0.35 H new ATOM 694 N LYS A 48 -1.489 2.453 4.172 1.00 0.16 N ATOM 695 CA LYS A 48 -2.116 3.066 5.344 1.00 0.18 C ATOM 696 C LYS A 48 -1.071 3.731 6.227 1.00 0.17 C ATOM 697 O LYS A 48 -0.226 3.059 6.818 1.00 0.22 O ATOM 698 CB LYS A 48 -2.885 2.022 6.159 1.00 0.25 C ATOM 699 CG LYS A 48 -3.502 2.565 7.441 1.00 0.32 C ATOM 700 CD LYS A 48 -4.238 1.480 8.215 1.00 0.69 C ATOM 701 CE LYS A 48 -3.335 0.290 8.506 1.00 0.52 C ATOM 702 NZ LYS A 48 -4.044 -0.789 9.245 1.00 1.07 N ATOM 0 H LYS A 48 -0.927 1.627 4.378 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.815 3.823 4.988 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.676 1.602 5.537 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.210 1.204 6.411 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.720 2.993 8.068 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.194 3.372 7.199 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -4.613 1.891 9.152 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.105 1.149 7.643 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -2.949 -0.108 7.568 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -2.476 0.622 9.089 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -3.502 -1.674 9.172 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -4.136 -0.522 10.246 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -4.990 -0.927 8.835 1.00 1.07 H new ATOM 716 N THR A 49 -1.133 5.049 6.319 1.00 0.18 N ATOM 717 CA THR A 49 -0.221 5.801 7.160 1.00 0.20 C ATOM 718 C THR A 49 -0.569 5.643 8.634 1.00 0.21 C ATOM 719 O THR A 49 -1.510 6.267 9.129 1.00 0.29 O ATOM 720 CB THR A 49 -0.246 7.294 6.789 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.602 7.722 6.594 1.00 0.33 O ATOM 722 CG2 THR A 49 0.562 7.553 5.528 1.00 0.25 C ATOM 0 H THR A 49 -1.811 5.622 5.817 1.00 0.18 H new ATOM 0 HA THR A 49 0.779 5.402 6.991 1.00 0.20 H new ATOM 0 HB THR A 49 0.202 7.860 7.606 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.148 7.436 7.356 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.529 8.615 5.286 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.596 7.250 5.690 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.141 6.980 4.702 1.00 0.25 H new ATOM 730 N LEU A 50 0.173 4.782 9.320 1.00 0.18 N ATOM 731 CA LEU A 50 0.045 4.649 10.764 1.00 0.21 C ATOM 732 C LEU A 50 0.507 5.954 11.383 1.00 0.23 C ATOM 733 O LEU A 50 -0.156 6.554 12.229 1.00 0.28 O ATOM 734 CB LEU A 50 0.930 3.506 11.254 1.00 0.21 C ATOM 735 CG LEU A 50 0.921 2.257 10.371 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.115 1.390 10.698 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.372 1.483 10.556 1.00 0.24 C ATOM 0 H LEU A 50 0.869 4.166 8.899 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.987 4.434 11.043 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.955 3.869 11.334 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.612 3.225 12.258 1.00 0.21 H new ATOM 0 HG LEU A 50 0.985 2.562 9.326 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.104 0.502 10.066 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.032 1.951 10.519 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.072 1.091 11.745 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.360 0.598 9.920 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.468 1.180 11.598 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.217 2.115 10.283 1.00 0.24 H new ATOM 749 N VAL A 51 1.679 6.360 10.920 1.00 0.23 N ATOM 750 CA VAL A 51 2.257 7.662 11.192 1.00 0.27 C ATOM 751 C VAL A 51 2.822 8.165 9.891 1.00 0.24 C ATOM 752 O VAL A 51 3.570 7.443 9.255 1.00 0.23 O ATOM 753 CB VAL A 51 3.411 7.576 12.198 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.005 8.951 12.477 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.957 6.916 13.481 1.00 0.36 C ATOM 0 H VAL A 51 2.269 5.775 10.328 1.00 0.23 H new ATOM 0 HA VAL A 51 1.489 8.314 11.609 1.00 0.27 H new ATOM 0 HB VAL A 51 4.193 6.960 11.755 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.821 8.856 13.194 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.385 9.378 11.549 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.235 9.604 12.888 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.792 6.866 14.180 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.148 7.498 13.923 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.603 5.908 13.266 1.00 0.36 H new ATOM 765 N PRO A 52 2.449 9.363 9.453 1.00 0.29 N ATOM 766 CA PRO A 52 2.888 9.916 8.182 1.00 0.32 C ATOM 767 C PRO A 52 3.964 10.998 8.316 1.00 0.34 C ATOM 768 O PRO A 52 3.774 12.148 7.904 1.00 0.54 O ATOM 769 CB PRO A 52 1.571 10.488 7.699 1.00 0.41 C ATOM 770 CG PRO A 52 0.933 11.049 8.938 1.00 0.46 C ATOM 771 CD PRO A 52 1.494 10.266 10.103 1.00 0.37 C ATOM 0 HA PRO A 52 3.369 9.194 7.522 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.725 11.261 6.946 1.00 0.41 H new ATOM 0 HB3 PRO A 52 0.947 9.719 7.243 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.155 12.111 9.042 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.152 10.953 8.893 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.981 10.915 10.830 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.716 9.718 10.635 1.00 0.37 H new ATOM 779 N GLY A 53 5.100 10.608 8.876 1.00 0.24 N ATOM 780 CA GLY A 53 6.227 11.512 9.007 1.00 0.28 C ATOM 781 C GLY A 53 6.038 12.569 10.081 1.00 0.29 C ATOM 782 O GLY A 53 4.925 12.797 10.558 1.00 0.55 O ATOM 0 H GLY A 53 5.263 9.672 9.246 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.122 10.933 9.233 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.399 12.005 8.050 1.00 0.28 H new ATOM 821 N SER A 57 9.143 16.395 7.222 1.00 0.52 N ATOM 822 CA SER A 57 9.693 15.271 6.507 1.00 0.40 C ATOM 823 C SER A 57 9.862 15.585 5.024 1.00 0.34 C ATOM 824 O SER A 57 9.649 16.716 4.580 1.00 0.43 O ATOM 825 CB SER A 57 8.763 14.079 6.687 1.00 0.40 C ATOM 826 OG SER A 57 7.428 14.512 6.900 1.00 0.99 O ATOM 0 HA SER A 57 10.681 15.044 6.908 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.807 13.441 5.805 1.00 0.40 H new ATOM 0 HB3 SER A 57 9.095 13.477 7.533 1.00 0.40 H new ATOM 0 HG SER A 57 7.432 15.436 7.226 1.00 0.99 H new ATOM 832 N SER A 58 10.253 14.573 4.271 1.00 0.28 N ATOM 833 CA SER A 58 10.401 14.681 2.833 1.00 0.30 C ATOM 834 C SER A 58 10.172 13.307 2.232 1.00 0.27 C ATOM 835 O SER A 58 10.636 12.317 2.783 1.00 0.38 O ATOM 836 CB SER A 58 11.808 15.190 2.482 1.00 0.38 C ATOM 837 OG SER A 58 11.948 15.443 1.094 1.00 1.28 O ATOM 0 H SER A 58 10.477 13.650 4.642 1.00 0.28 H new ATOM 0 HA SER A 58 9.677 15.390 2.432 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.013 16.104 3.040 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.549 14.453 2.793 1.00 0.38 H new ATOM 0 HG SER A 58 12.855 15.766 0.910 1.00 1.28 H new ATOM 843 N ARG A 59 9.435 13.228 1.144 1.00 0.32 N ATOM 844 CA ARG A 59 9.213 11.947 0.494 1.00 0.30 C ATOM 845 C ARG A 59 10.270 11.704 -0.574 1.00 0.27 C ATOM 846 O ARG A 59 10.350 12.438 -1.564 1.00 0.34 O ATOM 847 CB ARG A 59 7.793 11.852 -0.078 1.00 0.42 C ATOM 848 CG ARG A 59 7.292 13.121 -0.745 1.00 0.64 C ATOM 849 CD ARG A 59 5.809 13.018 -1.067 1.00 0.68 C ATOM 850 NE ARG A 59 5.013 12.765 0.138 1.00 1.41 N ATOM 851 CZ ARG A 59 3.731 12.386 0.131 1.00 1.81 C ATOM 852 NH1 ARG A 59 3.093 12.195 -1.013 1.00 1.78 N ATOM 853 NH2 ARG A 59 3.088 12.180 1.271 1.00 2.81 N ATOM 0 H ARG A 59 8.983 14.023 0.693 1.00 0.32 H new ATOM 0 HA ARG A 59 9.307 11.160 1.242 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.762 11.039 -0.804 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.108 11.586 0.727 1.00 0.42 H new ATOM 0 HG2 ARG A 59 7.467 13.974 -0.090 1.00 0.64 H new ATOM 0 HG3 ARG A 59 7.855 13.302 -1.661 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.473 13.942 -1.539 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.647 12.215 -1.786 1.00 0.68 H new ATOM 0 HE ARG A 59 5.468 12.886 1.043 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.580 12.337 -1.898 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.115 11.906 -1.009 1.00 1.78 H new ATOM 0 HH21 ARG A 59 3.571 12.311 2.160 1.00 2.81 H new ATOM 0 HH22 ARG A 59 2.110 11.891 1.260 1.00 2.81 H new ATOM 867 N PRO A 60 11.127 10.691 -0.343 1.00 0.23 N ATOM 868 CA PRO A 60 12.229 10.329 -1.240 1.00 0.26 C ATOM 869 C PRO A 60 11.819 10.234 -2.705 1.00 0.26 C ATOM 870 O PRO A 60 10.730 9.762 -3.041 1.00 0.28 O ATOM 871 CB PRO A 60 12.681 8.948 -0.737 1.00 0.30 C ATOM 872 CG PRO A 60 11.680 8.544 0.296 1.00 0.28 C ATOM 873 CD PRO A 60 11.113 9.818 0.838 1.00 0.21 C ATOM 0 HA PRO A 60 13.007 11.093 -1.216 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.714 8.226 -1.553 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.684 8.995 -0.312 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.898 7.923 -0.140 1.00 0.28 H new ATOM 0 HG3 PRO A 60 12.149 7.958 1.086 1.00 0.28 H new ATOM 0 HD2 PRO A 60 10.106 9.681 1.231 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.719 10.221 1.649 1.00 0.21 H new ATOM 881 N VAL A 61 12.710 10.678 -3.572 1.00 0.29 N ATOM 882 CA VAL A 61 12.473 10.638 -5.001 1.00 0.31 C ATOM 883 C VAL A 61 13.027 9.337 -5.577 1.00 0.28 C ATOM 884 O VAL A 61 13.909 8.717 -4.983 1.00 0.27 O ATOM 885 CB VAL A 61 13.141 11.841 -5.703 1.00 0.40 C ATOM 886 CG1 VAL A 61 12.708 11.951 -7.158 1.00 0.81 C ATOM 887 CG2 VAL A 61 12.844 13.133 -4.956 1.00 0.88 C ATOM 0 H VAL A 61 13.612 11.074 -3.307 1.00 0.29 H new ATOM 0 HA VAL A 61 11.398 10.689 -5.174 1.00 0.31 H new ATOM 0 HB VAL A 61 14.218 11.673 -5.690 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.198 12.808 -7.620 1.00 0.81 H new ATOM 0 HG12 VAL A 61 12.989 11.042 -7.691 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.627 12.081 -7.207 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.324 13.967 -5.467 1.00 0.88 H new ATOM 0 HG22 VAL A 61 11.767 13.297 -4.926 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.228 13.062 -3.939 1.00 0.88 H new ATOM 897 N LYS A 62 12.506 8.918 -6.721 1.00 0.27 N ATOM 898 CA LYS A 62 12.990 7.723 -7.384 1.00 0.27 C ATOM 899 C LYS A 62 14.434 7.905 -7.801 1.00 0.25 C ATOM 900 O LYS A 62 14.748 8.718 -8.673 1.00 0.31 O ATOM 901 CB LYS A 62 12.133 7.365 -8.594 1.00 0.30 C ATOM 902 CG LYS A 62 10.867 6.604 -8.240 1.00 0.37 C ATOM 903 CD LYS A 62 10.186 6.095 -9.494 1.00 0.41 C ATOM 904 CE LYS A 62 9.143 5.035 -9.185 1.00 0.60 C ATOM 905 NZ LYS A 62 8.523 4.503 -10.426 1.00 1.17 N ATOM 0 H LYS A 62 11.746 9.392 -7.208 1.00 0.27 H new ATOM 0 HA LYS A 62 12.923 6.899 -6.674 1.00 0.27 H new ATOM 0 HB2 LYS A 62 11.861 8.280 -9.120 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.726 6.765 -9.284 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.110 5.767 -7.586 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.188 7.253 -7.688 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.713 6.928 -10.013 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.934 5.681 -10.170 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.605 4.219 -8.629 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.370 5.459 -8.544 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.816 3.782 -10.179 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.061 5.278 -10.943 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 9.258 4.076 -11.026 1.00 1.17 H new ATOM 919 N GLY A 63 15.297 7.153 -7.149 1.00 0.25 N ATOM 920 CA GLY A 63 16.709 7.267 -7.371 1.00 0.27 C ATOM 921 C GLY A 63 17.452 7.231 -6.064 1.00 0.30 C ATOM 922 O GLY A 63 18.552 6.699 -5.973 1.00 0.42 O ATOM 0 H GLY A 63 15.034 6.452 -6.456 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.049 6.454 -8.012 1.00 0.27 H new ATOM 0 HA3 GLY A 63 16.927 8.198 -7.894 1.00 0.27 H new ATOM 926 N GLN A 64 16.834 7.776 -5.028 1.00 0.26 N ATOM 927 CA GLN A 64 17.466 7.797 -3.717 1.00 0.28 C ATOM 928 C GLN A 64 17.407 6.407 -3.122 1.00 0.24 C ATOM 929 O GLN A 64 16.399 5.719 -3.266 1.00 0.24 O ATOM 930 CB GLN A 64 16.773 8.783 -2.768 1.00 0.30 C ATOM 931 CG GLN A 64 16.072 9.952 -3.447 1.00 0.36 C ATOM 932 CD GLN A 64 16.982 10.888 -4.244 1.00 0.44 C ATOM 933 OE1 GLN A 64 16.713 12.081 -4.328 1.00 0.59 O ATOM 934 NE2 GLN A 64 18.030 10.364 -4.867 1.00 0.43 N ATOM 0 H GLN A 64 15.909 8.204 -5.066 1.00 0.26 H new ATOM 0 HA GLN A 64 18.499 8.121 -3.841 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.041 8.237 -2.173 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.516 9.178 -2.075 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.309 9.557 -4.117 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.555 10.536 -2.685 1.00 0.36 H new ATOM 0 HE21 GLN A 64 18.230 9.368 -4.779 1.00 0.43 H new ATOM 0 HE22 GLN A 64 18.636 10.958 -5.434 1.00 0.43 H new ATOM 943 N VAL A 65 18.479 5.976 -2.480 1.00 0.28 N ATOM 944 CA VAL A 65 18.432 4.710 -1.783 1.00 0.31 C ATOM 945 C VAL A 65 17.953 4.980 -0.367 1.00 0.25 C ATOM 946 O VAL A 65 18.398 5.923 0.293 1.00 0.32 O ATOM 947 CB VAL A 65 19.773 3.923 -1.788 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.425 3.961 -3.162 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.728 4.407 -0.713 1.00 1.05 C ATOM 0 H VAL A 65 19.369 6.471 -2.428 1.00 0.28 H new ATOM 0 HA VAL A 65 17.741 4.057 -2.316 1.00 0.31 H new ATOM 0 HB VAL A 65 19.534 2.885 -1.554 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.361 3.403 -3.136 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.755 3.512 -3.895 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.627 4.995 -3.440 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.650 3.827 -0.757 1.00 1.05 H new ATOM 0 HG22 VAL A 65 20.955 5.461 -0.875 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.267 4.282 0.267 1.00 1.05 H new ATOM 959 N VAL A 66 16.989 4.208 0.060 1.00 0.19 N ATOM 960 CA VAL A 66 16.316 4.461 1.315 1.00 0.15 C ATOM 961 C VAL A 66 16.282 3.210 2.166 1.00 0.16 C ATOM 962 O VAL A 66 16.268 2.095 1.646 1.00 0.21 O ATOM 963 CB VAL A 66 14.875 4.963 1.082 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.862 6.218 0.221 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.020 3.896 0.425 1.00 0.25 C ATOM 0 H VAL A 66 16.647 3.391 -0.445 1.00 0.19 H new ATOM 0 HA VAL A 66 16.878 5.235 1.837 1.00 0.15 H new ATOM 0 HB VAL A 66 14.458 5.199 2.061 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.834 6.548 0.074 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.428 7.006 0.718 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.315 6.000 -0.746 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.011 4.280 0.274 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.453 3.625 -0.538 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.981 3.015 1.066 1.00 0.25 H new ATOM 975 N THR A 67 16.296 3.402 3.469 1.00 0.13 N ATOM 976 CA THR A 67 16.220 2.294 4.385 1.00 0.15 C ATOM 977 C THR A 67 14.801 2.128 4.881 1.00 0.16 C ATOM 978 O THR A 67 14.267 2.992 5.585 1.00 0.21 O ATOM 979 CB THR A 67 17.153 2.489 5.591 1.00 0.20 C ATOM 980 OG1 THR A 67 16.943 3.780 6.159 1.00 0.29 O ATOM 981 CG2 THR A 67 18.608 2.343 5.191 1.00 0.27 C ATOM 0 H THR A 67 16.360 4.318 3.913 1.00 0.13 H new ATOM 0 HA THR A 67 16.536 1.402 3.845 1.00 0.15 H new ATOM 0 HB THR A 67 16.921 1.718 6.326 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.986 3.916 6.318 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.242 2.486 6.066 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.775 1.347 4.782 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.855 3.091 4.437 1.00 0.27 H new ATOM 989 N VAL A 68 14.173 1.036 4.503 1.00 0.15 N ATOM 990 CA VAL A 68 12.872 0.736 5.033 1.00 0.15 C ATOM 991 C VAL A 68 12.946 -0.458 5.951 1.00 0.15 C ATOM 992 O VAL A 68 13.720 -1.380 5.731 1.00 0.17 O ATOM 993 CB VAL A 68 11.812 0.464 3.944 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.508 1.728 3.160 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.264 -0.645 3.007 1.00 0.19 C ATOM 0 H VAL A 68 14.540 0.353 3.840 1.00 0.15 H new ATOM 0 HA VAL A 68 12.558 1.626 5.579 1.00 0.15 H new ATOM 0 HB VAL A 68 10.899 0.138 4.442 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.759 1.512 2.398 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.128 2.493 3.837 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.419 2.087 2.681 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.499 -0.816 2.250 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.196 -0.354 2.522 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.422 -1.561 3.577 1.00 0.19 H new ATOM 1005 N HIS A 69 12.159 -0.430 6.990 1.00 0.14 N ATOM 1006 CA HIS A 69 11.993 -1.595 7.813 1.00 0.15 C ATOM 1007 C HIS A 69 10.670 -2.214 7.447 1.00 0.14 C ATOM 1008 O HIS A 69 9.631 -1.603 7.648 1.00 0.15 O ATOM 1009 CB HIS A 69 12.015 -1.247 9.317 1.00 0.15 C ATOM 1010 CG HIS A 69 11.749 -2.439 10.201 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.205 -2.572 11.490 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.043 -3.560 9.953 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.777 -3.729 11.980 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.078 -4.338 11.066 1.00 0.18 N ATOM 0 H HIS A 69 11.623 0.386 7.287 1.00 0.14 H new ATOM 0 HA HIS A 69 12.819 -2.285 7.639 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.986 -0.822 9.572 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.268 -0.479 9.518 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.779 -1.892 11.989 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.537 -3.798 9.029 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.976 -4.103 12.973 1.00 0.18 H new ATOM 1023 N LEU A 70 10.695 -3.424 6.937 1.00 0.15 N ATOM 1024 CA LEU A 70 9.460 -4.079 6.619 1.00 0.16 C ATOM 1025 C LEU A 70 9.335 -5.381 7.382 1.00 0.15 C ATOM 1026 O LEU A 70 10.285 -6.148 7.522 1.00 0.21 O ATOM 1027 CB LEU A 70 9.293 -4.313 5.114 1.00 0.21 C ATOM 1028 CG LEU A 70 9.703 -5.686 4.592 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.181 -5.886 3.176 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.212 -5.846 4.612 1.00 0.38 C ATOM 0 H LEU A 70 11.540 -3.960 6.739 1.00 0.15 H new ATOM 0 HA LEU A 70 8.655 -3.411 6.927 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.247 -4.148 4.857 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.874 -3.558 4.584 1.00 0.21 H new ATOM 0 HG LEU A 70 9.267 -6.441 5.246 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.480 -6.870 2.814 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.093 -5.814 3.176 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.596 -5.118 2.523 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.478 -6.833 4.235 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.667 -5.082 3.982 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.576 -5.738 5.634 1.00 0.38 H new ATOM 1042 N GLN A 71 8.171 -5.576 7.928 1.00 0.13 N ATOM 1043 CA GLN A 71 7.770 -6.855 8.464 1.00 0.14 C ATOM 1044 C GLN A 71 6.469 -7.161 7.813 1.00 0.14 C ATOM 1045 O GLN A 71 5.474 -6.457 8.002 1.00 0.14 O ATOM 1046 CB GLN A 71 7.604 -6.848 9.970 1.00 0.15 C ATOM 1047 CG GLN A 71 8.497 -5.860 10.687 1.00 0.15 C ATOM 1048 CD GLN A 71 7.841 -4.518 10.889 1.00 0.16 C ATOM 1049 OE1 GLN A 71 8.192 -3.778 11.806 1.00 0.27 O ATOM 1050 NE2 GLN A 71 6.865 -4.213 10.061 1.00 0.18 N ATOM 0 H GLN A 71 7.462 -4.848 8.017 1.00 0.13 H new ATOM 0 HA GLN A 71 8.539 -7.600 8.263 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.565 -6.621 10.209 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.808 -7.848 10.352 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.780 -6.270 11.656 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.416 -5.728 10.116 1.00 0.15 H new ATOM 0 HE21 GLN A 71 6.609 -4.859 9.314 1.00 0.18 H new ATOM 0 HE22 GLN A 71 6.365 -3.330 10.166 1.00 0.18 H new ATOM 1059 N THR A 72 6.497 -8.178 7.025 1.00 0.15 N ATOM 1060 CA THR A 72 5.458 -8.414 6.088 1.00 0.16 C ATOM 1061 C THR A 72 4.582 -9.557 6.528 1.00 0.16 C ATOM 1062 O THR A 72 5.063 -10.665 6.762 1.00 0.17 O ATOM 1063 CB THR A 72 6.079 -8.717 4.736 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.944 -7.643 4.358 1.00 0.19 O ATOM 1065 CG2 THR A 72 5.017 -8.908 3.691 1.00 0.19 C ATOM 0 H THR A 72 7.245 -8.872 7.013 1.00 0.15 H new ATOM 0 HA THR A 72 4.831 -7.525 6.018 1.00 0.16 H new ATOM 0 HB THR A 72 6.652 -9.641 4.814 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.347 -7.839 3.486 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.486 -9.124 2.731 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.372 -9.740 3.975 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.421 -7.999 3.607 1.00 0.19 H new ATOM 1073 N SER A 73 3.305 -9.286 6.643 1.00 0.17 N ATOM 1074 CA SER A 73 2.367 -10.274 7.080 1.00 0.17 C ATOM 1075 C SER A 73 1.567 -10.767 5.896 1.00 0.15 C ATOM 1076 O SER A 73 1.652 -10.222 4.793 1.00 0.26 O ATOM 1077 CB SER A 73 1.437 -9.675 8.129 1.00 0.23 C ATOM 1078 OG SER A 73 2.025 -8.531 8.731 1.00 1.06 O ATOM 0 H SER A 73 2.894 -8.376 6.436 1.00 0.17 H new ATOM 0 HA SER A 73 2.903 -11.113 7.524 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.489 -9.401 7.667 1.00 0.23 H new ATOM 0 HB3 SER A 73 1.216 -10.420 8.893 1.00 0.23 H new ATOM 0 HG SER A 73 1.991 -7.778 8.105 1.00 1.06 H new ATOM 1084 N LEU A 74 0.805 -11.799 6.126 1.00 0.19 N ATOM 1085 CA LEU A 74 -0.040 -12.360 5.115 1.00 0.18 C ATOM 1086 C LEU A 74 -1.439 -11.814 5.276 1.00 0.19 C ATOM 1087 O LEU A 74 -1.756 -11.232 6.313 1.00 0.21 O ATOM 1088 CB LEU A 74 -0.028 -13.880 5.231 1.00 0.22 C ATOM 1089 CG LEU A 74 1.280 -14.547 4.817 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.075 -16.036 4.578 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.845 -13.867 3.583 1.00 0.72 C ATOM 0 H LEU A 74 0.754 -12.276 7.026 1.00 0.19 H new ATOM 0 HA LEU A 74 0.326 -12.088 4.125 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.247 -14.152 6.264 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.834 -14.283 4.618 1.00 0.22 H new ATOM 0 HG LEU A 74 2.000 -14.439 5.628 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.021 -16.491 4.284 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.716 -16.505 5.494 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.341 -16.180 3.785 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.779 -14.351 3.296 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.129 -13.945 2.765 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.033 -12.816 3.801 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.271 -11.990 4.261 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.655 -11.542 4.331 1.00 0.26 C ATOM 1105 C GLU A 75 -4.382 -12.215 5.491 1.00 0.32 C ATOM 1106 O GLU A 75 -5.436 -11.755 5.926 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.385 -11.814 3.015 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.420 -13.276 2.601 1.00 0.34 C ATOM 1109 CD GLU A 75 -5.153 -13.484 1.290 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -6.400 -13.572 1.304 1.00 1.14 O ATOM 1111 OE2 GLU A 75 -4.485 -13.554 0.236 1.00 0.82 O ATOM 0 H GLU A 75 -2.014 -12.438 3.381 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.651 -10.466 4.503 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.409 -11.450 3.101 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -3.907 -11.237 2.223 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.400 -13.650 2.508 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.904 -13.861 3.383 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.801 -13.303 6.004 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.390 -14.019 7.127 1.00 0.41 C ATOM 1120 C ASN A 76 -3.784 -13.550 8.453 1.00 0.39 C ATOM 1121 O ASN A 76 -4.334 -13.820 9.519 1.00 0.51 O ATOM 1122 CB ASN A 76 -4.210 -15.536 6.968 1.00 0.50 C ATOM 1123 CG ASN A 76 -2.770 -15.991 7.121 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -2.280 -16.168 8.230 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -2.092 -16.222 6.008 1.00 1.13 N ATOM 0 H ASN A 76 -2.928 -13.702 5.658 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.457 -13.798 7.137 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -4.825 -16.047 7.708 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.576 -15.837 5.986 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -1.130 -16.558 6.057 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.531 -16.064 5.101 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.661 -12.838 8.381 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.037 -12.317 9.588 1.00 0.32 C ATOM 1134 C GLY A 77 -0.599 -12.777 9.788 1.00 0.32 C ATOM 1135 O GLY A 77 0.177 -12.110 10.471 1.00 0.51 O ATOM 0 H GLY A 77 -2.174 -12.613 7.514 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -2.058 -11.228 9.555 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.629 -12.621 10.451 1.00 0.32 H new ATOM 1139 N THR A 78 -0.241 -13.914 9.204 1.00 0.28 N ATOM 1140 CA THR A 78 1.085 -14.499 9.405 1.00 0.28 C ATOM 1141 C THR A 78 2.201 -13.661 8.788 1.00 0.23 C ATOM 1142 O THR A 78 2.270 -13.502 7.575 1.00 0.21 O ATOM 1143 CB THR A 78 1.148 -15.931 8.840 1.00 0.34 C ATOM 1144 OG1 THR A 78 0.136 -16.733 9.458 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.512 -16.563 9.086 1.00 0.39 C ATOM 0 H THR A 78 -0.849 -14.452 8.586 1.00 0.28 H new ATOM 0 HA THR A 78 1.244 -14.522 10.483 1.00 0.28 H new ATOM 0 HB THR A 78 0.983 -15.880 7.764 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.714 -16.607 8.987 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.524 -17.573 8.676 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.283 -15.965 8.601 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.706 -16.604 10.158 1.00 0.39 H new ATOM 1153 N ARG A 79 3.072 -13.125 9.635 1.00 0.24 N ATOM 1154 CA ARG A 79 4.226 -12.373 9.164 1.00 0.22 C ATOM 1155 C ARG A 79 5.312 -13.314 8.682 1.00 0.24 C ATOM 1156 O ARG A 79 5.846 -14.120 9.437 1.00 0.33 O ATOM 1157 CB ARG A 79 4.750 -11.442 10.246 1.00 0.25 C ATOM 1158 CG ARG A 79 3.815 -10.281 10.500 1.00 0.25 C ATOM 1159 CD ARG A 79 4.574 -9.061 10.982 1.00 0.28 C ATOM 1160 NE ARG A 79 3.744 -7.853 10.983 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.139 -6.677 11.491 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.303 -6.580 12.111 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.362 -5.605 11.394 1.00 0.47 N ATOM 0 H ARG A 79 3.000 -13.198 10.650 1.00 0.24 H new ATOM 0 HA ARG A 79 3.911 -11.756 8.322 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.890 -12.003 11.170 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.729 -11.061 9.953 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.275 -10.038 9.585 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.070 -10.566 11.243 1.00 0.25 H new ATOM 0 HD2 ARG A 79 4.948 -9.243 11.990 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.443 -8.901 10.344 1.00 0.28 H new ATOM 0 HE ARG A 79 2.812 -7.910 10.573 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.902 -7.401 12.203 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.602 -5.685 12.497 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.456 -5.672 10.930 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.671 -4.714 11.784 1.00 0.47 H new ATOM 1177 N VAL A 80 5.625 -13.184 7.412 1.00 0.20 N ATOM 1178 CA VAL A 80 6.492 -14.119 6.724 1.00 0.22 C ATOM 1179 C VAL A 80 7.931 -13.630 6.670 1.00 0.21 C ATOM 1180 O VAL A 80 8.827 -14.366 6.254 1.00 0.27 O ATOM 1181 CB VAL A 80 5.985 -14.357 5.294 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.589 -14.952 5.330 1.00 0.26 C ATOM 1183 CG2 VAL A 80 6.004 -13.064 4.484 1.00 0.22 C ATOM 0 H VAL A 80 5.285 -12.424 6.823 1.00 0.20 H new ATOM 0 HA VAL A 80 6.472 -15.051 7.289 1.00 0.22 H new ATOM 0 HB VAL A 80 6.654 -15.064 4.803 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.238 -15.117 4.312 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.612 -15.902 5.865 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.914 -14.265 5.840 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.640 -13.261 3.476 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.362 -12.325 4.963 1.00 0.22 H new ATOM 0 HG23 VAL A 80 7.023 -12.681 4.434 1.00 0.22 H new ATOM 1193 N GLN A 81 8.146 -12.386 7.070 1.00 0.18 N ATOM 1194 CA GLN A 81 9.470 -11.796 7.011 1.00 0.19 C ATOM 1195 C GLN A 81 9.537 -10.526 7.851 1.00 0.19 C ATOM 1196 O GLN A 81 8.678 -9.653 7.732 1.00 0.26 O ATOM 1197 CB GLN A 81 9.847 -11.499 5.550 1.00 0.23 C ATOM 1198 CG GLN A 81 8.929 -10.500 4.853 1.00 0.23 C ATOM 1199 CD GLN A 81 9.238 -10.357 3.379 1.00 0.37 C ATOM 1200 OE1 GLN A 81 10.106 -9.584 2.978 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.500 -11.093 2.564 1.00 0.50 N ATOM 0 H GLN A 81 7.422 -11.769 7.438 1.00 0.18 H new ATOM 0 HA GLN A 81 10.186 -12.508 7.422 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.868 -11.117 5.521 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.840 -12.433 4.989 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.893 -10.818 4.974 1.00 0.23 H new ATOM 0 HG3 GLN A 81 9.023 -9.527 5.336 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.791 -11.720 2.944 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.640 -11.033 1.555 1.00 0.50 H new ATOM 1210 N GLU A 82 10.535 -10.443 8.719 1.00 0.24 N ATOM 1211 CA GLU A 82 10.793 -9.222 9.467 1.00 0.24 C ATOM 1212 C GLU A 82 12.214 -8.752 9.192 1.00 0.25 C ATOM 1213 O GLU A 82 13.184 -9.380 9.609 1.00 0.41 O ATOM 1214 CB GLU A 82 10.574 -9.408 10.973 1.00 0.35 C ATOM 1215 CG GLU A 82 10.886 -8.154 11.771 1.00 0.44 C ATOM 1216 CD GLU A 82 10.394 -8.218 13.199 1.00 0.82 C ATOM 1217 OE1 GLU A 82 11.078 -8.822 14.048 1.00 1.21 O ATOM 1218 OE2 GLU A 82 9.319 -7.642 13.479 1.00 1.34 O ATOM 0 H GLU A 82 11.179 -11.207 8.922 1.00 0.24 H new ATOM 0 HA GLU A 82 10.082 -8.466 9.134 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.539 -9.699 11.152 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.201 -10.225 11.329 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.964 -7.991 11.772 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.434 -7.295 11.276 1.00 0.44 H new ATOM 1225 N GLU A 83 12.321 -7.657 8.467 1.00 0.22 N ATOM 1226 CA GLU A 83 13.607 -7.116 8.078 1.00 0.26 C ATOM 1227 C GLU A 83 13.723 -5.662 8.512 1.00 0.23 C ATOM 1228 O GLU A 83 12.992 -4.789 8.039 1.00 0.24 O ATOM 1229 CB GLU A 83 13.783 -7.298 6.568 1.00 0.39 C ATOM 1230 CG GLU A 83 14.765 -6.352 5.902 1.00 1.20 C ATOM 1231 CD GLU A 83 15.144 -6.835 4.519 1.00 1.73 C ATOM 1232 OE1 GLU A 83 14.337 -6.670 3.581 1.00 2.59 O ATOM 1233 OE2 GLU A 83 16.264 -7.353 4.355 1.00 1.69 O ATOM 0 H GLU A 83 11.522 -7.119 8.132 1.00 0.22 H new ATOM 0 HA GLU A 83 14.413 -7.652 8.579 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.107 -8.321 6.379 1.00 0.39 H new ATOM 0 HB3 GLU A 83 12.811 -7.179 6.090 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.325 -5.357 5.834 1.00 1.20 H new ATOM 0 HG3 GLU A 83 15.661 -6.263 6.516 1.00 1.20 H new ATOM 1240 N PRO A 84 14.641 -5.401 9.454 1.00 0.23 N ATOM 1241 CA PRO A 84 14.773 -4.098 10.109 1.00 0.21 C ATOM 1242 C PRO A 84 15.337 -3.018 9.201 1.00 0.19 C ATOM 1243 O PRO A 84 15.222 -1.826 9.500 1.00 0.20 O ATOM 1244 CB PRO A 84 15.736 -4.373 11.262 1.00 0.25 C ATOM 1245 CG PRO A 84 16.541 -5.543 10.815 1.00 0.50 C ATOM 1246 CD PRO A 84 15.629 -6.375 9.959 1.00 0.31 C ATOM 0 HA PRO A 84 13.801 -3.715 10.418 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.371 -3.510 11.462 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.197 -4.593 12.184 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.417 -5.221 10.252 1.00 0.50 H new ATOM 0 HG3 PRO A 84 16.904 -6.115 11.669 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.171 -6.855 9.144 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.152 -7.168 10.535 1.00 0.31 H new ATOM 1254 N GLU A 85 15.933 -3.422 8.090 1.00 0.20 N ATOM 1255 CA GLU A 85 16.547 -2.465 7.192 1.00 0.22 C ATOM 1256 C GLU A 85 16.799 -3.050 5.827 1.00 0.24 C ATOM 1257 O GLU A 85 17.661 -3.902 5.629 1.00 0.35 O ATOM 1258 CB GLU A 85 17.838 -1.922 7.789 1.00 0.31 C ATOM 1259 CG GLU A 85 18.452 -0.796 6.982 1.00 0.34 C ATOM 1260 CD GLU A 85 19.453 -0.011 7.787 1.00 0.90 C ATOM 1261 OE1 GLU A 85 19.041 0.868 8.567 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.663 -0.272 7.630 1.00 1.30 O ATOM 0 H GLU A 85 16.003 -4.395 7.793 1.00 0.20 H new ATOM 0 HA GLU A 85 15.844 -1.642 7.066 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.640 -1.567 8.800 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.560 -2.734 7.872 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.939 -1.207 6.098 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.664 -0.129 6.631 1.00 0.34 H new ATOM 1269 N LEU A 86 16.004 -2.568 4.908 1.00 0.23 N ATOM 1270 CA LEU A 86 16.113 -2.883 3.517 1.00 0.24 C ATOM 1271 C LEU A 86 16.394 -1.604 2.748 1.00 0.23 C ATOM 1272 O LEU A 86 15.521 -0.747 2.611 1.00 0.25 O ATOM 1273 CB LEU A 86 14.808 -3.515 3.054 1.00 0.26 C ATOM 1274 CG LEU A 86 14.711 -3.802 1.568 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.865 -4.673 1.103 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.382 -4.470 1.255 1.00 0.38 C ATOM 0 H LEU A 86 15.240 -1.926 5.119 1.00 0.23 H new ATOM 0 HA LEU A 86 16.927 -3.587 3.341 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.665 -4.449 3.597 1.00 0.26 H new ATOM 0 HB3 LEU A 86 13.986 -2.855 3.333 1.00 0.26 H new ATOM 0 HG LEU A 86 14.769 -2.856 1.031 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.770 -4.863 0.034 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.808 -4.162 1.298 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.847 -5.620 1.643 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.320 -4.673 0.186 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.307 -5.407 1.807 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.565 -3.810 1.547 1.00 0.38 H new ATOM 1288 N VAL A 87 17.624 -1.452 2.301 1.00 0.24 N ATOM 1289 CA VAL A 87 18.006 -0.273 1.547 1.00 0.22 C ATOM 1290 C VAL A 87 18.021 -0.595 0.053 1.00 0.21 C ATOM 1291 O VAL A 87 18.589 -1.607 -0.371 1.00 0.28 O ATOM 1292 CB VAL A 87 19.385 0.267 2.002 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.493 -0.741 1.744 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.701 1.590 1.326 1.00 0.94 C ATOM 0 H VAL A 87 18.375 -2.127 2.446 1.00 0.24 H new ATOM 0 HA VAL A 87 17.269 0.508 1.737 1.00 0.22 H new ATOM 0 HB VAL A 87 19.329 0.434 3.078 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.445 -0.328 2.076 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.285 -1.659 2.293 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.544 -0.960 0.678 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.674 1.947 1.663 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.720 1.451 0.245 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.936 2.322 1.585 1.00 0.94 H new ATOM 1304 N PHE A 88 17.381 0.245 -0.739 1.00 0.17 N ATOM 1305 CA PHE A 88 17.254 -0.002 -2.171 1.00 0.19 C ATOM 1306 C PHE A 88 17.136 1.304 -2.928 1.00 0.20 C ATOM 1307 O PHE A 88 16.755 2.327 -2.360 1.00 0.23 O ATOM 1308 CB PHE A 88 16.024 -0.866 -2.451 1.00 0.21 C ATOM 1309 CG PHE A 88 14.729 -0.193 -2.118 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.300 -0.109 -0.805 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.943 0.350 -3.117 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.111 0.516 -0.494 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.758 0.975 -2.818 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.333 1.048 -1.506 1.00 0.15 C ATOM 0 H PHE A 88 16.939 1.107 -0.418 1.00 0.17 H new ATOM 0 HA PHE A 88 18.148 -0.527 -2.507 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.018 -1.144 -3.505 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.101 -1.790 -1.878 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.902 -0.537 -0.017 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.265 0.282 -4.146 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.789 0.590 0.534 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.160 1.408 -3.606 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.391 1.521 -1.270 1.00 0.15 H new ATOM 1324 N THR A 89 17.468 1.259 -4.203 1.00 0.23 N ATOM 1325 CA THR A 89 17.300 2.401 -5.071 1.00 0.25 C ATOM 1326 C THR A 89 15.828 2.545 -5.454 1.00 0.21 C ATOM 1327 O THR A 89 15.257 1.667 -6.105 1.00 0.22 O ATOM 1328 CB THR A 89 18.162 2.246 -6.337 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.501 1.875 -5.963 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.192 3.537 -7.145 1.00 0.37 C ATOM 0 H THR A 89 17.859 0.436 -4.661 1.00 0.23 H new ATOM 0 HA THR A 89 17.623 3.297 -4.541 1.00 0.25 H new ATOM 0 HB THR A 89 17.722 1.467 -6.960 1.00 0.33 H new ATOM 0 HG1 THR A 89 20.050 1.775 -6.769 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.809 3.396 -8.033 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.178 3.802 -7.445 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.611 4.338 -6.536 1.00 0.37 H new ATOM 1338 N LEU A 90 15.211 3.631 -5.002 1.00 0.19 N ATOM 1339 CA LEU A 90 13.799 3.888 -5.264 1.00 0.16 C ATOM 1340 C LEU A 90 13.515 3.953 -6.757 1.00 0.15 C ATOM 1341 O LEU A 90 14.176 4.679 -7.491 1.00 0.18 O ATOM 1342 CB LEU A 90 13.369 5.200 -4.614 1.00 0.16 C ATOM 1343 CG LEU A 90 11.860 5.407 -4.540 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.203 4.200 -3.905 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.540 6.672 -3.762 1.00 0.60 C ATOM 0 H LEU A 90 15.671 4.353 -4.448 1.00 0.19 H new ATOM 0 HA LEU A 90 13.231 3.062 -4.836 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.778 5.241 -3.605 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.809 6.027 -5.171 1.00 0.16 H new ATOM 0 HG LEU A 90 11.466 5.522 -5.550 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.125 4.356 -3.856 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.414 3.314 -4.503 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.596 4.060 -2.898 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.459 6.808 -3.717 1.00 0.60 H new ATOM 0 HD22 LEU A 90 11.938 6.588 -2.751 1.00 0.60 H new ATOM 0 HD23 LEU A 90 11.993 7.530 -4.260 1.00 0.60 H new ATOM 1357 N GLY A 91 12.539 3.178 -7.201 1.00 0.20 N ATOM 1358 CA GLY A 91 12.117 3.230 -8.583 1.00 0.23 C ATOM 1359 C GLY A 91 12.991 2.395 -9.480 1.00 0.26 C ATOM 1360 O GLY A 91 12.811 2.379 -10.700 1.00 0.37 O ATOM 0 H GLY A 91 12.029 2.509 -6.624 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.086 2.883 -8.659 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.132 4.264 -8.926 1.00 0.23 H new ATOM 1364 N ASP A 92 13.930 1.691 -8.871 1.00 0.27 N ATOM 1365 CA ASP A 92 14.791 0.784 -9.605 1.00 0.32 C ATOM 1366 C ASP A 92 14.129 -0.575 -9.634 1.00 0.30 C ATOM 1367 O ASP A 92 14.586 -1.503 -10.302 1.00 0.37 O ATOM 1368 CB ASP A 92 16.182 0.713 -8.951 1.00 0.42 C ATOM 1369 CG ASP A 92 17.178 -0.121 -9.739 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.704 0.374 -10.760 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.412 -1.285 -9.357 1.00 0.82 O ATOM 0 H ASP A 92 14.114 1.731 -7.869 1.00 0.27 H new ATOM 0 HA ASP A 92 14.934 1.141 -10.625 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.574 1.724 -8.839 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.083 0.296 -7.949 1.00 0.42 H new ATOM 1376 N CYS A 93 13.001 -0.659 -8.922 1.00 0.28 N ATOM 1377 CA CYS A 93 12.271 -1.906 -8.772 1.00 0.27 C ATOM 1378 C CYS A 93 13.179 -2.969 -8.178 1.00 0.26 C ATOM 1379 O CYS A 93 13.042 -4.159 -8.471 1.00 0.31 O ATOM 1380 CB CYS A 93 11.726 -2.372 -10.119 1.00 0.38 C ATOM 1381 SG CYS A 93 10.881 -1.076 -11.056 1.00 0.62 S ATOM 0 H CYS A 93 12.577 0.133 -8.440 1.00 0.28 H new ATOM 0 HA CYS A 93 11.430 -1.740 -8.099 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.549 -2.762 -10.718 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.034 -3.197 -9.954 1.00 0.38 H new ATOM 0 HG CYS A 93 10.455 -1.563 -12.183 1.00 0.62 H new ATOM 1387 N ASP A 94 14.097 -2.529 -7.322 1.00 0.27 N ATOM 1388 CA ASP A 94 15.024 -3.440 -6.683 1.00 0.33 C ATOM 1389 C ASP A 94 14.260 -4.319 -5.711 1.00 0.33 C ATOM 1390 O ASP A 94 14.673 -5.424 -5.364 1.00 0.48 O ATOM 1391 CB ASP A 94 16.118 -2.662 -5.952 1.00 0.41 C ATOM 1392 CG ASP A 94 17.110 -3.573 -5.260 1.00 0.65 C ATOM 1393 OD1 ASP A 94 17.892 -4.248 -5.961 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.125 -3.605 -4.012 1.00 1.33 O ATOM 0 H ASP A 94 14.214 -1.550 -7.060 1.00 0.27 H new ATOM 0 HA ASP A 94 15.501 -4.063 -7.439 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.646 -2.028 -6.664 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.660 -2.002 -5.215 1.00 0.41 H new ATOM 1399 N VAL A 95 13.108 -3.809 -5.329 1.00 0.23 N ATOM 1400 CA VAL A 95 12.255 -4.427 -4.337 1.00 0.21 C ATOM 1401 C VAL A 95 10.954 -4.901 -4.962 1.00 0.20 C ATOM 1402 O VAL A 95 10.875 -5.110 -6.172 1.00 0.22 O ATOM 1403 CB VAL A 95 11.936 -3.410 -3.236 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.162 -3.170 -2.387 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.463 -2.103 -3.858 1.00 0.19 C ATOM 0 H VAL A 95 12.732 -2.939 -5.706 1.00 0.23 H new ATOM 0 HA VAL A 95 12.779 -5.286 -3.919 1.00 0.21 H new ATOM 0 HB VAL A 95 11.142 -3.806 -2.603 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.928 -2.446 -1.606 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.477 -4.108 -1.929 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.967 -2.783 -3.012 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.238 -1.385 -3.069 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.246 -1.702 -4.501 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.566 -2.285 -4.449 1.00 0.19 H new ATOM 1415 N ILE A 96 9.935 -5.067 -4.134 1.00 0.19 N ATOM 1416 CA ILE A 96 8.622 -5.374 -4.621 1.00 0.19 C ATOM 1417 C ILE A 96 8.016 -4.082 -5.129 1.00 0.16 C ATOM 1418 O ILE A 96 8.182 -3.029 -4.511 1.00 0.15 O ATOM 1419 CB ILE A 96 7.732 -6.014 -3.529 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.595 -5.089 -2.316 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.309 -7.356 -3.105 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.699 -5.636 -1.227 1.00 0.29 C ATOM 0 H ILE A 96 10.004 -4.992 -3.119 1.00 0.19 H new ATOM 0 HA ILE A 96 8.689 -6.111 -5.422 1.00 0.19 H new ATOM 0 HB ILE A 96 6.738 -6.169 -3.948 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.585 -4.903 -1.899 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.203 -4.127 -2.647 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.675 -7.798 -2.336 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.352 -8.022 -3.967 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.314 -7.211 -2.708 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.652 -4.924 -0.403 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.697 -5.795 -1.626 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.101 -6.583 -0.867 1.00 0.29 H new ATOM 1434 N GLN A 97 7.364 -4.149 -6.266 1.00 0.17 N ATOM 1435 CA GLN A 97 6.860 -2.950 -6.923 1.00 0.17 C ATOM 1436 C GLN A 97 5.919 -2.182 -6.000 1.00 0.16 C ATOM 1437 O GLN A 97 5.838 -0.957 -6.062 1.00 0.16 O ATOM 1438 CB GLN A 97 6.151 -3.293 -8.229 1.00 0.19 C ATOM 1439 CG GLN A 97 6.214 -2.155 -9.231 1.00 0.25 C ATOM 1440 CD GLN A 97 7.598 -1.988 -9.836 1.00 0.31 C ATOM 1441 OE1 GLN A 97 7.887 -2.547 -10.897 1.00 0.40 O ATOM 1442 NE2 GLN A 97 8.480 -1.255 -9.161 1.00 0.32 N ATOM 0 H GLN A 97 7.166 -5.018 -6.761 1.00 0.17 H new ATOM 0 HA GLN A 97 7.716 -2.317 -7.155 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.605 -4.183 -8.664 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.109 -3.535 -8.022 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.492 -2.336 -10.028 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.921 -1.227 -8.741 1.00 0.25 H new ATOM 0 HE21 GLN A 97 8.207 -0.806 -8.286 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.429 -1.142 -9.518 1.00 0.32 H new ATOM 1451 N ALA A 98 5.234 -2.917 -5.131 1.00 0.17 N ATOM 1452 CA ALA A 98 4.374 -2.315 -4.118 1.00 0.18 C ATOM 1453 C ALA A 98 5.160 -1.345 -3.250 1.00 0.17 C ATOM 1454 O ALA A 98 4.731 -0.221 -3.010 1.00 0.20 O ATOM 1455 CB ALA A 98 3.767 -3.396 -3.247 1.00 0.20 C ATOM 0 H ALA A 98 5.258 -3.936 -5.108 1.00 0.17 H new ATOM 0 HA ALA A 98 3.581 -1.766 -4.625 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.126 -2.939 -2.493 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.175 -4.072 -3.865 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.562 -3.957 -2.756 1.00 0.20 H new ATOM 1461 N LEU A 99 6.325 -1.789 -2.803 1.00 0.17 N ATOM 1462 CA LEU A 99 7.178 -0.978 -1.950 1.00 0.17 C ATOM 1463 C LEU A 99 7.796 0.162 -2.737 1.00 0.15 C ATOM 1464 O LEU A 99 7.881 1.293 -2.261 1.00 0.15 O ATOM 1465 CB LEU A 99 8.297 -1.819 -1.348 1.00 0.19 C ATOM 1466 CG LEU A 99 9.203 -1.057 -0.377 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.387 -0.477 0.768 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.305 -1.953 0.155 1.00 0.22 C ATOM 0 H LEU A 99 6.702 -2.712 -3.019 1.00 0.17 H new ATOM 0 HA LEU A 99 6.555 -0.575 -1.152 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.857 -2.669 -0.826 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.907 -2.223 -2.156 1.00 0.19 H new ATOM 0 HG LEU A 99 9.669 -0.236 -0.922 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.047 0.061 1.449 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.638 0.208 0.371 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.891 -1.284 1.306 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.934 -1.387 0.842 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.864 -2.800 0.681 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.911 -2.317 -0.675 1.00 0.22 H new ATOM 1480 N ASP A 100 8.195 -0.158 -3.956 1.00 0.15 N ATOM 1481 CA ASP A 100 8.920 0.764 -4.816 1.00 0.16 C ATOM 1482 C ASP A 100 8.069 1.995 -5.093 1.00 0.15 C ATOM 1483 O ASP A 100 8.578 3.095 -5.294 1.00 0.16 O ATOM 1484 CB ASP A 100 9.290 0.033 -6.111 1.00 0.17 C ATOM 1485 CG ASP A 100 10.136 0.852 -7.054 1.00 0.20 C ATOM 1486 OD1 ASP A 100 11.375 0.842 -6.909 1.00 0.21 O ATOM 1487 OD2 ASP A 100 9.557 1.540 -7.919 1.00 0.26 O ATOM 0 H ASP A 100 8.025 -1.070 -4.380 1.00 0.15 H new ATOM 0 HA ASP A 100 9.834 1.102 -4.328 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.826 -0.882 -5.860 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.375 -0.264 -6.624 1.00 0.17 H new ATOM 1492 N LEU A 101 6.763 1.790 -5.102 1.00 0.16 N ATOM 1493 CA LEU A 101 5.812 2.871 -5.260 1.00 0.16 C ATOM 1494 C LEU A 101 5.362 3.460 -3.912 1.00 0.15 C ATOM 1495 O LEU A 101 5.091 4.663 -3.801 1.00 0.16 O ATOM 1496 CB LEU A 101 4.613 2.350 -6.039 1.00 0.19 C ATOM 1497 CG LEU A 101 4.933 1.794 -7.433 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.662 1.320 -8.128 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.662 2.832 -8.279 1.00 0.25 C ATOM 0 H LEU A 101 6.335 0.870 -5.000 1.00 0.16 H new ATOM 0 HA LEU A 101 6.298 3.681 -5.803 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.132 1.566 -5.454 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.889 3.158 -6.145 1.00 0.19 H new ATOM 0 HG LEU A 101 5.594 0.936 -7.313 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.911 0.930 -9.115 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.194 0.535 -7.534 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.971 2.156 -8.233 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.878 2.414 -9.262 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.035 3.716 -8.390 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.596 3.109 -7.790 1.00 0.25 H new ATOM 1511 N SER A 102 5.280 2.617 -2.888 1.00 0.15 N ATOM 1512 CA SER A 102 4.786 3.040 -1.586 1.00 0.17 C ATOM 1513 C SER A 102 5.722 4.054 -0.948 1.00 0.15 C ATOM 1514 O SER A 102 5.284 4.939 -0.220 1.00 0.18 O ATOM 1515 CB SER A 102 4.620 1.834 -0.660 1.00 0.23 C ATOM 1516 OG SER A 102 4.205 2.230 0.633 1.00 1.01 O ATOM 0 H SER A 102 5.550 1.635 -2.937 1.00 0.15 H new ATOM 0 HA SER A 102 3.815 3.513 -1.736 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.889 1.146 -1.084 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.564 1.293 -0.591 1.00 0.23 H new ATOM 0 HG SER A 102 4.872 1.946 1.292 1.00 1.01 H new ATOM 1522 N VAL A 103 7.005 3.916 -1.233 1.00 0.15 N ATOM 1523 CA VAL A 103 8.025 4.772 -0.650 1.00 0.16 C ATOM 1524 C VAL A 103 7.912 6.223 -1.110 1.00 0.16 C ATOM 1525 O VAL A 103 7.900 7.115 -0.280 1.00 0.18 O ATOM 1526 CB VAL A 103 9.423 4.253 -0.963 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.492 5.258 -0.551 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.651 2.932 -0.265 1.00 0.19 C ATOM 0 H VAL A 103 7.369 3.210 -1.873 1.00 0.15 H new ATOM 0 HA VAL A 103 7.857 4.747 0.427 1.00 0.16 H new ATOM 0 HB VAL A 103 9.498 4.108 -2.041 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.478 4.858 -0.788 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.340 6.192 -1.091 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.423 5.443 0.521 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.653 2.568 -0.494 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.551 3.068 0.812 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.914 2.207 -0.609 1.00 0.19 H new ATOM 1538 N PRO A 104 7.868 6.500 -2.426 1.00 0.17 N ATOM 1539 CA PRO A 104 7.662 7.866 -2.918 1.00 0.21 C ATOM 1540 C PRO A 104 6.304 8.430 -2.499 1.00 0.19 C ATOM 1541 O PRO A 104 6.087 9.641 -2.517 1.00 0.22 O ATOM 1542 CB PRO A 104 7.760 7.734 -4.439 1.00 0.27 C ATOM 1543 CG PRO A 104 7.568 6.286 -4.726 1.00 0.21 C ATOM 1544 CD PRO A 104 8.083 5.552 -3.528 1.00 0.17 C ATOM 0 HA PRO A 104 8.394 8.561 -2.506 1.00 0.21 H new ATOM 0 HB2 PRO A 104 6.999 8.337 -4.935 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.728 8.081 -4.801 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.516 6.059 -4.899 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.109 5.992 -5.625 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.543 4.619 -3.366 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.137 5.295 -3.637 1.00 0.17 H new ATOM 1552 N LEU A 105 5.383 7.537 -2.149 1.00 0.18 N ATOM 1553 CA LEU A 105 4.114 7.934 -1.541 1.00 0.19 C ATOM 1554 C LEU A 105 4.268 8.147 -0.033 1.00 0.22 C ATOM 1555 O LEU A 105 3.392 8.705 0.631 1.00 0.32 O ATOM 1556 CB LEU A 105 3.067 6.854 -1.789 1.00 0.18 C ATOM 1557 CG LEU A 105 2.446 6.844 -3.184 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.188 5.994 -3.190 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.138 8.261 -3.651 1.00 0.64 C ATOM 0 H LEU A 105 5.491 6.531 -2.276 1.00 0.18 H new ATOM 0 HA LEU A 105 3.799 8.873 -1.995 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.524 5.881 -1.608 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.269 6.972 -1.056 1.00 0.18 H new ATOM 0 HG LEU A 105 3.165 6.410 -3.879 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.754 5.994 -4.190 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.438 4.973 -2.903 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.468 6.404 -2.482 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.696 8.228 -4.647 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.437 8.728 -2.959 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.060 8.842 -3.682 1.00 0.64 H new ATOM 1571 N MET A 106 5.361 7.632 0.487 1.00 0.20 N ATOM 1572 CA MET A 106 5.704 7.691 1.899 1.00 0.24 C ATOM 1573 C MET A 106 6.644 8.859 2.201 1.00 0.21 C ATOM 1574 O MET A 106 7.544 9.157 1.425 1.00 0.26 O ATOM 1575 CB MET A 106 6.372 6.364 2.249 1.00 0.33 C ATOM 1576 CG MET A 106 7.028 6.304 3.603 1.00 0.53 C ATOM 1577 SD MET A 106 7.516 4.623 4.032 1.00 0.78 S ATOM 1578 CE MET A 106 5.948 3.783 3.866 1.00 0.54 C ATOM 0 H MET A 106 6.059 7.145 -0.075 1.00 0.20 H new ATOM 0 HA MET A 106 4.807 7.852 2.497 1.00 0.24 H new ATOM 0 HB2 MET A 106 5.623 5.574 2.193 1.00 0.33 H new ATOM 0 HB3 MET A 106 7.124 6.145 1.491 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.905 6.951 3.612 1.00 0.53 H new ATOM 0 HG3 MET A 106 6.341 6.688 4.358 1.00 0.53 H new ATOM 0 HE1 MET A 106 5.749 3.203 4.767 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.155 4.517 3.724 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.982 3.115 3.005 1.00 0.54 H new ATOM 1588 N ASP A 107 6.437 9.510 3.338 1.00 0.18 N ATOM 1589 CA ASP A 107 7.319 10.592 3.751 1.00 0.18 C ATOM 1590 C ASP A 107 8.375 10.063 4.703 1.00 0.14 C ATOM 1591 O ASP A 107 8.150 9.080 5.415 1.00 0.13 O ATOM 1592 CB ASP A 107 6.547 11.743 4.409 1.00 0.25 C ATOM 1593 CG ASP A 107 5.789 12.594 3.406 1.00 0.56 C ATOM 1594 OD1 ASP A 107 6.434 13.321 2.622 1.00 0.97 O ATOM 1595 OD2 ASP A 107 4.539 12.532 3.383 1.00 0.92 O ATOM 0 H ASP A 107 5.674 9.310 3.985 1.00 0.18 H new ATOM 0 HA ASP A 107 7.798 10.988 2.855 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.845 11.334 5.136 1.00 0.25 H new ATOM 0 HB3 ASP A 107 7.245 12.374 4.960 1.00 0.25 H new ATOM 1600 N VAL A 108 9.540 10.701 4.704 1.00 0.16 N ATOM 1601 CA VAL A 108 10.634 10.261 5.557 1.00 0.16 C ATOM 1602 C VAL A 108 10.223 10.303 7.020 1.00 0.15 C ATOM 1603 O VAL A 108 9.796 11.339 7.533 1.00 0.19 O ATOM 1604 CB VAL A 108 11.918 11.106 5.335 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.843 11.062 6.545 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.663 10.620 4.100 1.00 0.80 C ATOM 0 H VAL A 108 9.749 11.517 4.129 1.00 0.16 H new ATOM 0 HA VAL A 108 10.864 9.232 5.282 1.00 0.16 H new ATOM 0 HB VAL A 108 11.605 12.140 5.189 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.729 11.666 6.348 1.00 0.68 H new ATOM 0 HG12 VAL A 108 12.321 11.457 7.417 1.00 0.68 H new ATOM 0 HG13 VAL A 108 13.142 10.032 6.737 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.561 11.221 3.957 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.943 9.575 4.232 1.00 0.80 H new ATOM 0 HG23 VAL A 108 12.019 10.715 3.226 1.00 0.80 H new ATOM 1616 N GLY A 109 10.354 9.168 7.679 1.00 0.15 N ATOM 1617 CA GLY A 109 10.069 9.095 9.092 1.00 0.17 C ATOM 1618 C GLY A 109 8.667 8.600 9.383 1.00 0.18 C ATOM 1619 O GLY A 109 8.180 8.745 10.504 1.00 0.28 O ATOM 0 H GLY A 109 10.655 8.289 7.258 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.790 8.432 9.570 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.201 10.082 9.536 1.00 0.17 H new ATOM 1623 N GLU A 110 7.994 8.034 8.386 1.00 0.13 N ATOM 1624 CA GLU A 110 6.663 7.496 8.612 1.00 0.13 C ATOM 1625 C GLU A 110 6.705 5.978 8.681 1.00 0.10 C ATOM 1626 O GLU A 110 7.721 5.351 8.370 1.00 0.12 O ATOM 1627 CB GLU A 110 5.664 7.946 7.536 1.00 0.17 C ATOM 1628 CG GLU A 110 5.680 7.125 6.269 1.00 0.20 C ATOM 1629 CD GLU A 110 4.519 7.433 5.328 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.387 8.592 4.897 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.758 6.500 4.982 1.00 0.39 O ATOM 0 H GLU A 110 8.342 7.938 7.432 1.00 0.13 H new ATOM 0 HA GLU A 110 6.318 7.891 9.567 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.660 7.916 7.958 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.871 8.985 7.281 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.619 7.300 5.744 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.654 6.067 6.531 1.00 0.20 H new ATOM 1638 N THR A 111 5.608 5.400 9.119 1.00 0.10 N ATOM 1639 CA THR A 111 5.459 3.972 9.132 1.00 0.11 C ATOM 1640 C THR A 111 4.100 3.641 8.560 1.00 0.11 C ATOM 1641 O THR A 111 3.078 4.078 9.092 1.00 0.12 O ATOM 1642 CB THR A 111 5.600 3.398 10.554 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.777 3.934 11.168 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.701 1.878 10.519 1.00 0.19 C ATOM 0 H THR A 111 4.799 5.910 9.474 1.00 0.10 H new ATOM 0 HA THR A 111 6.248 3.520 8.531 1.00 0.11 H new ATOM 0 HB THR A 111 4.716 3.676 11.128 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.868 3.571 12.074 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.800 1.496 11.535 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.802 1.464 10.062 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.573 1.585 9.935 1.00 0.19 H new ATOM 1652 N ALA A 112 4.085 2.922 7.457 1.00 0.12 N ATOM 1653 CA ALA A 112 2.845 2.634 6.776 1.00 0.13 C ATOM 1654 C ALA A 112 2.646 1.146 6.632 1.00 0.12 C ATOM 1655 O ALA A 112 3.587 0.401 6.381 1.00 0.13 O ATOM 1656 CB ALA A 112 2.815 3.307 5.411 1.00 0.18 C ATOM 0 H ALA A 112 4.916 2.528 7.016 1.00 0.12 H new ATOM 0 HA ALA A 112 2.028 3.033 7.377 1.00 0.13 H new ATOM 0 HB1 ALA A 112 1.873 3.078 4.913 1.00 0.18 H new ATOM 0 HB2 ALA A 112 2.907 4.386 5.535 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.644 2.939 4.806 1.00 0.18 H new ATOM 1662 N MET A 113 1.418 0.723 6.802 1.00 0.12 N ATOM 1663 CA MET A 113 1.057 -0.651 6.559 1.00 0.12 C ATOM 1664 C MET A 113 0.454 -0.719 5.176 1.00 0.12 C ATOM 1665 O MET A 113 -0.551 -0.069 4.904 1.00 0.14 O ATOM 1666 CB MET A 113 0.055 -1.135 7.609 1.00 0.16 C ATOM 1667 CG MET A 113 -0.644 -2.434 7.242 1.00 0.25 C ATOM 1668 SD MET A 113 -1.825 -2.955 8.500 1.00 0.53 S ATOM 1669 CE MET A 113 -2.420 -4.485 7.786 1.00 1.32 C ATOM 0 H MET A 113 0.647 1.315 7.110 1.00 0.12 H new ATOM 0 HA MET A 113 1.933 -1.296 6.625 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.574 -1.269 8.558 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.696 -0.361 7.764 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.161 -2.309 6.291 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.101 -3.217 7.100 1.00 0.25 H new ATOM 0 HE1 MET A 113 -3.418 -4.701 8.168 1.00 1.32 H new ATOM 0 HE2 MET A 113 -2.460 -4.389 6.701 1.00 1.32 H new ATOM 0 HE3 MET A 113 -1.745 -5.298 8.054 1.00 1.32 H new ATOM 1679 N VAL A 114 1.084 -1.462 4.296 1.00 0.12 N ATOM 1680 CA VAL A 114 0.644 -1.524 2.922 1.00 0.12 C ATOM 1681 C VAL A 114 0.167 -2.916 2.608 1.00 0.13 C ATOM 1682 O VAL A 114 0.845 -3.897 2.916 1.00 0.16 O ATOM 1683 CB VAL A 114 1.784 -1.163 1.956 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.271 -0.861 0.554 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.583 -0.006 2.504 1.00 0.17 C ATOM 0 H VAL A 114 1.903 -2.032 4.507 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.166 -0.805 2.795 1.00 0.12 H new ATOM 0 HB VAL A 114 2.437 -2.032 1.871 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.111 -0.611 -0.095 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.755 -1.736 0.159 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.580 -0.019 0.593 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.388 0.241 1.811 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.932 0.860 2.627 1.00 0.17 H new ATOM 0 HG23 VAL A 114 3.007 -0.282 3.470 1.00 0.17 H new ATOM 1695 N THR A 115 -1.002 -3.016 2.029 1.00 0.14 N ATOM 1696 CA THR A 115 -1.456 -4.288 1.571 1.00 0.14 C ATOM 1697 C THR A 115 -1.415 -4.311 0.066 1.00 0.13 C ATOM 1698 O THR A 115 -2.105 -3.547 -0.612 1.00 0.16 O ATOM 1699 CB THR A 115 -2.851 -4.647 2.086 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.823 -4.708 3.511 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.272 -5.993 1.546 1.00 0.20 C ATOM 0 H THR A 115 -1.643 -2.239 1.868 1.00 0.14 H new ATOM 0 HA THR A 115 -0.786 -5.047 1.975 1.00 0.14 H new ATOM 0 HB THR A 115 -3.560 -3.888 1.755 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.417 -4.021 3.880 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.266 -6.240 1.918 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.291 -5.958 0.457 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.563 -6.754 1.873 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.552 -5.159 -0.430 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.334 -5.308 -1.848 1.00 0.13 C ATOM 1711 C ALA A 116 -0.531 -6.742 -2.252 1.00 0.12 C ATOM 1712 O ALA A 116 -0.041 -7.650 -1.583 1.00 0.13 O ATOM 1713 CB ALA A 116 1.066 -4.860 -2.206 1.00 0.15 C ATOM 0 H ALA A 116 0.026 -5.773 0.144 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.053 -4.687 -2.382 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.222 -4.976 -3.279 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.194 -3.813 -1.932 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.792 -5.468 -1.666 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.257 -6.946 -3.332 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.402 -8.273 -3.896 1.00 0.13 C ATOM 1721 C ASP A 117 -0.019 -8.869 -4.100 1.00 0.11 C ATOM 1722 O ASP A 117 0.930 -8.141 -4.383 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.113 -8.205 -5.239 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.580 -9.564 -5.740 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.725 -10.452 -5.963 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.789 -9.727 -5.976 1.00 0.58 O ATOM 0 H ASP A 117 -1.755 -6.212 -3.836 1.00 0.13 H new ATOM 0 HA ASP A 117 -1.990 -8.889 -3.216 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -2.973 -7.541 -5.154 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.442 -7.764 -5.976 1.00 0.16 H new ATOM 1731 N SER A 118 0.097 -10.176 -3.961 1.00 0.13 N ATOM 1732 CA SER A 118 1.376 -10.845 -4.103 1.00 0.16 C ATOM 1733 C SER A 118 1.968 -10.563 -5.488 1.00 0.13 C ATOM 1734 O SER A 118 3.178 -10.589 -5.679 1.00 0.15 O ATOM 1735 CB SER A 118 1.208 -12.346 -3.883 1.00 0.27 C ATOM 1736 OG SER A 118 2.398 -12.928 -3.383 1.00 0.82 O ATOM 0 H SER A 118 -0.683 -10.798 -3.749 1.00 0.13 H new ATOM 0 HA SER A 118 2.065 -10.461 -3.351 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.391 -12.524 -3.183 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.933 -12.825 -4.823 1.00 0.27 H new ATOM 0 HG SER A 118 2.546 -12.629 -2.461 1.00 0.82 H new ATOM 1742 N LYS A 119 1.111 -10.273 -6.451 1.00 0.13 N ATOM 1743 CA LYS A 119 1.561 -9.853 -7.773 1.00 0.14 C ATOM 1744 C LYS A 119 2.494 -8.633 -7.684 1.00 0.14 C ATOM 1745 O LYS A 119 3.375 -8.456 -8.524 1.00 0.18 O ATOM 1746 CB LYS A 119 0.364 -9.529 -8.667 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.614 -8.563 -8.042 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.685 -8.113 -9.028 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.591 -9.258 -9.462 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.846 -9.328 -8.660 1.00 0.81 N ATOM 0 H LYS A 119 0.098 -10.320 -6.345 1.00 0.13 H new ATOM 0 HA LYS A 119 2.120 -10.680 -8.211 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.726 -9.110 -9.606 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.158 -10.454 -8.911 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.089 -9.035 -7.182 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.075 -7.692 -7.670 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.289 -7.328 -8.572 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.207 -7.678 -9.906 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.843 -9.138 -10.516 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -2.051 -10.200 -9.369 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.615 -9.706 -9.250 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -3.700 -9.952 -7.841 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -4.100 -8.375 -8.329 1.00 0.81 H new ATOM 1764 N TYR A 120 2.297 -7.792 -6.665 1.00 0.13 N ATOM 1765 CA TYR A 120 3.180 -6.651 -6.430 1.00 0.15 C ATOM 1766 C TYR A 120 4.201 -6.988 -5.357 1.00 0.15 C ATOM 1767 O TYR A 120 5.023 -6.154 -4.973 1.00 0.19 O ATOM 1768 CB TYR A 120 2.378 -5.417 -6.010 1.00 0.16 C ATOM 1769 CG TYR A 120 1.436 -4.917 -7.066 1.00 0.20 C ATOM 1770 CD1 TYR A 120 0.135 -5.386 -7.137 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.846 -3.972 -7.992 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -0.733 -4.928 -8.107 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.987 -3.509 -8.963 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.304 -3.995 -9.019 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.165 -3.531 -9.983 1.00 0.42 O ATOM 0 H TYR A 120 1.535 -7.881 -5.992 1.00 0.13 H new ATOM 0 HA TYR A 120 3.698 -6.428 -7.363 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.808 -5.654 -5.111 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.071 -4.618 -5.747 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.205 -6.121 -6.423 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.856 -3.592 -7.952 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -1.745 -5.302 -8.149 1.00 0.30 H new ATOM 0 HE2 TYR A 120 1.321 -2.770 -9.676 1.00 0.34 H new ATOM 0 HH TYR A 120 -1.785 -2.885 -9.584 1.00 0.42 H new ATOM 1785 N CYS A 121 4.145 -8.224 -4.898 1.00 0.14 N ATOM 1786 CA CYS A 121 5.009 -8.695 -3.833 1.00 0.15 C ATOM 1787 C CYS A 121 5.800 -9.917 -4.282 1.00 0.16 C ATOM 1788 O CYS A 121 6.881 -9.776 -4.849 1.00 0.18 O ATOM 1789 CB CYS A 121 4.188 -9.008 -2.588 1.00 0.14 C ATOM 1790 SG CYS A 121 3.245 -7.597 -1.971 1.00 0.16 S ATOM 0 H CYS A 121 3.499 -8.929 -5.253 1.00 0.14 H new ATOM 0 HA CYS A 121 5.720 -7.906 -3.588 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.501 -9.824 -2.812 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.856 -9.360 -1.802 1.00 0.14 H new ATOM 0 HG CYS A 121 1.980 -7.898 -1.946 1.00 0.16 H new ATOM 1796 N TYR A 122 5.268 -11.120 -4.043 1.00 0.16 N ATOM 1797 CA TYR A 122 5.947 -12.336 -4.472 1.00 0.18 C ATOM 1798 C TYR A 122 4.964 -13.399 -4.980 1.00 0.18 C ATOM 1799 O TYR A 122 5.124 -14.565 -4.655 1.00 0.20 O ATOM 1800 CB TYR A 122 6.754 -12.942 -3.317 1.00 0.19 C ATOM 1801 CG TYR A 122 7.543 -11.949 -2.490 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.805 -11.525 -2.890 1.00 0.21 C ATOM 1803 CD2 TYR A 122 7.020 -11.429 -1.312 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.518 -10.617 -2.142 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.730 -10.518 -0.561 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.998 -10.143 -0.968 1.00 0.22 C ATOM 1807 OH TYR A 122 9.687 -9.206 -0.235 1.00 0.24 O ATOM 0 H TYR A 122 4.382 -11.272 -3.561 1.00 0.16 H new ATOM 0 HA TYR A 122 6.609 -12.047 -5.289 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.070 -13.476 -2.658 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.444 -13.680 -3.725 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.232 -11.915 -3.802 1.00 0.21 H new ATOM 0 HD2 TYR A 122 6.042 -11.744 -0.980 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.486 -10.279 -2.480 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.301 -10.100 0.338 1.00 0.20 H new ATOM 0 HH TYR A 122 9.727 -9.489 0.702 1.00 0.24 H new ATOM 1817 N GLY A 123 3.963 -13.003 -5.772 1.00 0.19 N ATOM 1818 CA GLY A 123 2.998 -13.962 -6.309 1.00 0.21 C ATOM 1819 C GLY A 123 3.644 -15.152 -7.001 1.00 0.21 C ATOM 1820 O GLY A 123 3.841 -16.196 -6.390 1.00 0.25 O ATOM 0 H GLY A 123 3.802 -12.036 -6.052 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.367 -14.323 -5.497 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.346 -13.451 -7.017 1.00 0.21 H new ATOM 1824 N PRO A 124 3.966 -15.036 -8.291 1.00 0.25 N ATOM 1825 CA PRO A 124 4.693 -16.074 -9.015 1.00 0.30 C ATOM 1826 C PRO A 124 6.193 -15.966 -8.769 1.00 0.30 C ATOM 1827 O PRO A 124 6.999 -16.591 -9.455 1.00 0.34 O ATOM 1828 CB PRO A 124 4.372 -15.786 -10.492 1.00 0.37 C ATOM 1829 CG PRO A 124 3.466 -14.591 -10.499 1.00 0.58 C ATOM 1830 CD PRO A 124 3.628 -13.917 -9.165 1.00 0.32 C ATOM 0 HA PRO A 124 4.406 -17.078 -8.702 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.283 -15.587 -11.056 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.888 -16.644 -10.959 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.728 -13.912 -11.310 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.430 -14.892 -10.657 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.415 -13.163 -9.183 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.713 -13.416 -8.849 1.00 0.32 H new ATOM 1838 N GLN A 125 6.555 -15.153 -7.788 1.00 0.27 N ATOM 1839 CA GLN A 125 7.946 -14.867 -7.495 1.00 0.30 C ATOM 1840 C GLN A 125 8.387 -15.643 -6.271 1.00 0.32 C ATOM 1841 O GLN A 125 9.437 -16.286 -6.260 1.00 0.39 O ATOM 1842 CB GLN A 125 8.101 -13.373 -7.247 1.00 0.30 C ATOM 1843 CG GLN A 125 7.528 -12.531 -8.369 1.00 0.33 C ATOM 1844 CD GLN A 125 7.453 -11.061 -8.014 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.407 -10.312 -8.212 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.305 -10.632 -7.509 1.00 0.29 N ATOM 0 H GLN A 125 5.893 -14.676 -7.176 1.00 0.27 H new ATOM 0 HA GLN A 125 8.568 -15.165 -8.339 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.606 -13.111 -6.312 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.158 -13.137 -7.125 1.00 0.30 H new ATOM 0 HG2 GLN A 125 8.142 -12.655 -9.261 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.530 -12.893 -8.616 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.537 -11.287 -7.360 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.190 -9.647 -7.269 1.00 0.29 H new ATOM 1855 N GLY A 126 7.550 -15.585 -5.249 1.00 0.27 N ATOM 1856 CA GLY A 126 7.863 -16.183 -3.980 1.00 0.27 C ATOM 1857 C GLY A 126 8.820 -15.344 -3.177 1.00 0.28 C ATOM 1858 O GLY A 126 9.710 -14.691 -3.720 1.00 0.30 O ATOM 0 H GLY A 126 6.641 -15.123 -5.284 1.00 0.27 H new ATOM 0 HA2 GLY A 126 6.944 -16.327 -3.412 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.296 -17.170 -4.142 1.00 0.27 H new ATOM 1862 N SER A 127 8.618 -15.351 -1.882 1.00 0.27 N ATOM 1863 CA SER A 127 9.394 -14.524 -0.989 1.00 0.28 C ATOM 1864 C SER A 127 10.633 -15.246 -0.470 1.00 0.32 C ATOM 1865 O SER A 127 10.710 -16.473 -0.497 1.00 0.33 O ATOM 1866 CB SER A 127 8.498 -14.041 0.163 1.00 0.27 C ATOM 1867 OG SER A 127 9.244 -13.549 1.263 1.00 0.30 O ATOM 0 H SER A 127 7.915 -15.927 -1.419 1.00 0.27 H new ATOM 0 HA SER A 127 9.758 -13.660 -1.545 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.835 -13.257 -0.202 1.00 0.27 H new ATOM 0 HB3 SER A 127 7.866 -14.864 0.496 1.00 0.27 H new ATOM 0 HG SER A 127 9.796 -12.793 0.972 1.00 0.30 H new ATOM 1873 N ARG A 128 11.604 -14.443 -0.022 1.00 0.38 N ATOM 1874 CA ARG A 128 12.898 -14.928 0.449 1.00 0.42 C ATOM 1875 C ARG A 128 12.751 -16.099 1.410 1.00 0.42 C ATOM 1876 O ARG A 128 13.323 -17.164 1.190 1.00 0.52 O ATOM 1877 CB ARG A 128 13.657 -13.789 1.133 1.00 0.52 C ATOM 1878 CG ARG A 128 14.142 -12.713 0.173 1.00 1.12 C ATOM 1879 CD ARG A 128 14.725 -11.521 0.916 1.00 1.41 C ATOM 1880 NE ARG A 128 13.696 -10.696 1.554 1.00 1.81 N ATOM 1881 CZ ARG A 128 13.951 -9.550 2.188 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.203 -9.132 2.334 1.00 2.45 N ATOM 1883 NH2 ARG A 128 12.963 -8.827 2.695 1.00 3.17 N ATOM 0 H ARG A 128 11.509 -13.428 0.023 1.00 0.38 H new ATOM 0 HA ARG A 128 13.457 -15.280 -0.418 1.00 0.42 H new ATOM 0 HB2 ARG A 128 13.010 -13.331 1.881 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.514 -14.203 1.664 1.00 0.52 H new ATOM 0 HG2 ARG A 128 14.897 -13.132 -0.493 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.313 -12.382 -0.453 1.00 1.12 H new ATOM 0 HD2 ARG A 128 15.422 -11.876 1.675 1.00 1.41 H new ATOM 0 HD3 ARG A 128 15.297 -10.908 0.219 1.00 1.41 H new ATOM 0 HE ARG A 128 12.729 -11.016 1.511 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.973 -9.687 1.961 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.395 -8.255 2.819 1.00 2.45 H new ATOM 0 HH21 ARG A 128 11.998 -9.145 2.602 1.00 3.17 H new ATOM 0 HH22 ARG A 128 13.167 -7.952 3.178 1.00 3.17 H new ATOM 1897 N SER A 129 11.986 -15.903 2.474 1.00 0.42 N ATOM 1898 CA SER A 129 11.788 -16.963 3.445 1.00 0.44 C ATOM 1899 C SER A 129 10.718 -17.943 2.947 1.00 0.41 C ATOM 1900 O SER A 129 11.021 -19.113 2.727 1.00 0.44 O ATOM 1901 CB SER A 129 11.447 -16.387 4.827 1.00 0.48 C ATOM 1902 OG SER A 129 11.409 -17.405 5.811 1.00 1.23 O ATOM 0 H SER A 129 11.499 -15.031 2.683 1.00 0.42 H new ATOM 0 HA SER A 129 12.719 -17.518 3.557 1.00 0.44 H new ATOM 0 HB2 SER A 129 12.188 -15.637 5.104 1.00 0.48 H new ATOM 0 HB3 SER A 129 10.482 -15.882 4.785 1.00 0.48 H new ATOM 0 HG SER A 129 11.192 -17.011 6.681 1.00 1.23 H new ATOM 1908 N PRO A 130 9.453 -17.512 2.756 1.00 0.37 N ATOM 1909 CA PRO A 130 8.434 -18.346 2.166 1.00 0.36 C ATOM 1910 C PRO A 130 8.112 -17.933 0.740 1.00 0.32 C ATOM 1911 O PRO A 130 7.821 -16.773 0.485 1.00 0.27 O ATOM 1912 CB PRO A 130 7.218 -18.028 3.049 1.00 0.37 C ATOM 1913 CG PRO A 130 7.540 -16.720 3.728 1.00 0.37 C ATOM 1914 CD PRO A 130 8.849 -16.243 3.151 1.00 0.37 C ATOM 0 HA PRO A 130 8.729 -19.394 2.121 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.310 -17.946 2.451 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.048 -18.818 3.781 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.751 -15.989 3.553 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.618 -16.853 4.807 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.707 -15.572 2.304 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.453 -15.708 3.884 1.00 0.37 H new ATOM 1922 N TYR A 131 8.161 -18.862 -0.189 1.00 0.33 N ATOM 1923 CA TYR A 131 7.538 -18.644 -1.480 1.00 0.32 C ATOM 1924 C TYR A 131 6.071 -18.304 -1.253 1.00 0.30 C ATOM 1925 O TYR A 131 5.249 -19.181 -0.985 1.00 0.32 O ATOM 1926 CB TYR A 131 7.684 -19.880 -2.376 1.00 0.36 C ATOM 1927 CG TYR A 131 6.915 -19.801 -3.685 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.594 -20.234 -3.766 1.00 0.78 C ATOM 1929 CD2 TYR A 131 7.499 -19.278 -4.832 1.00 1.00 C ATOM 1930 CE1 TYR A 131 4.888 -20.158 -4.950 1.00 0.87 C ATOM 1931 CE2 TYR A 131 6.797 -19.200 -6.021 1.00 1.14 C ATOM 1932 CZ TYR A 131 5.489 -19.635 -6.074 1.00 0.81 C ATOM 1933 OH TYR A 131 4.788 -19.557 -7.257 1.00 1.00 O ATOM 0 H TYR A 131 8.620 -19.766 -0.079 1.00 0.33 H new ATOM 0 HA TYR A 131 8.032 -17.818 -1.993 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.741 -20.030 -2.598 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.347 -20.757 -1.823 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.113 -20.637 -2.887 1.00 0.78 H new ATOM 0 HD2 TYR A 131 8.519 -18.926 -4.794 1.00 1.00 H new ATOM 0 HE1 TYR A 131 3.867 -20.508 -4.995 1.00 0.87 H new ATOM 0 HE2 TYR A 131 7.271 -18.800 -6.905 1.00 1.14 H new ATOM 0 HH TYR A 131 5.358 -19.163 -7.950 1.00 1.00 H new ATOM 1943 N ILE A 132 5.770 -17.013 -1.279 1.00 0.27 N ATOM 1944 CA ILE A 132 4.421 -16.548 -1.057 1.00 0.26 C ATOM 1945 C ILE A 132 3.520 -17.003 -2.200 1.00 0.25 C ATOM 1946 O ILE A 132 3.850 -16.796 -3.363 1.00 0.25 O ATOM 1947 CB ILE A 132 4.365 -15.010 -0.956 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.374 -14.465 0.051 1.00 0.39 C ATOM 1949 CG2 ILE A 132 2.966 -14.562 -0.580 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.288 -15.071 1.423 1.00 0.23 C ATOM 0 H ILE A 132 6.449 -16.272 -1.453 1.00 0.27 H new ATOM 0 HA ILE A 132 4.076 -16.972 -0.114 1.00 0.26 H new ATOM 0 HB ILE A 132 4.627 -14.609 -1.935 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.379 -14.627 -0.339 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.235 -13.387 0.136 1.00 0.39 H new ATOM 0 HG21 ILE A 132 2.938 -13.475 -0.512 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.260 -14.896 -1.341 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.692 -14.993 0.383 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.043 -14.621 2.067 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.298 -14.887 1.841 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.460 -16.145 1.358 1.00 0.23 H new ATOM 1962 N PRO A 133 2.386 -17.642 -1.880 1.00 0.27 N ATOM 1963 CA PRO A 133 1.421 -18.089 -2.888 1.00 0.28 C ATOM 1964 C PRO A 133 0.971 -16.948 -3.801 1.00 0.26 C ATOM 1965 O PRO A 133 0.764 -15.812 -3.351 1.00 0.26 O ATOM 1966 CB PRO A 133 0.238 -18.623 -2.065 1.00 0.34 C ATOM 1967 CG PRO A 133 0.473 -18.152 -0.667 1.00 0.61 C ATOM 1968 CD PRO A 133 1.958 -18.000 -0.521 1.00 0.31 C ATOM 0 HA PRO A 133 1.852 -18.837 -3.554 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.709 -18.246 -2.451 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.190 -19.711 -2.109 1.00 0.34 H new ATOM 0 HG2 PRO A 133 -0.035 -17.205 -0.485 1.00 0.61 H new ATOM 0 HG3 PRO A 133 0.082 -18.868 0.056 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.216 -17.225 0.201 1.00 0.31 H new ATOM 0 HD3 PRO A 133 2.427 -18.923 -0.180 1.00 0.31 H new ATOM 1976 N PRO A 134 0.843 -17.232 -5.104 1.00 0.27 N ATOM 1977 CA PRO A 134 0.410 -16.248 -6.088 1.00 0.25 C ATOM 1978 C PRO A 134 -0.891 -15.559 -5.704 1.00 0.27 C ATOM 1979 O PRO A 134 -1.879 -16.207 -5.355 1.00 0.32 O ATOM 1980 CB PRO A 134 0.212 -17.067 -7.357 1.00 0.29 C ATOM 1981 CG PRO A 134 1.124 -18.232 -7.197 1.00 0.52 C ATOM 1982 CD PRO A 134 1.145 -18.536 -5.725 1.00 0.33 C ATOM 0 HA PRO A 134 1.138 -15.443 -6.188 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.824 -17.387 -7.465 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.461 -16.487 -8.246 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.768 -19.089 -7.768 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.124 -17.999 -7.563 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.403 -19.289 -5.459 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.115 -18.918 -5.407 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.858 -14.231 -5.750 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.034 -13.389 -5.503 1.00 0.31 C ATOM 1992 C HIS A 135 -2.470 -13.409 -4.041 1.00 0.32 C ATOM 1993 O HIS A 135 -3.581 -12.997 -3.714 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.211 -13.777 -6.412 1.00 0.41 C ATOM 1995 CG HIS A 135 -2.965 -13.501 -7.861 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -3.781 -13.963 -8.866 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -1.977 -12.806 -8.472 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.309 -13.568 -10.031 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -2.211 -12.862 -9.825 1.00 2.25 N ATOM 0 H HIS A 135 -0.012 -13.701 -5.960 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.730 -12.370 -5.744 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.423 -14.838 -6.284 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.100 -13.233 -6.093 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -1.156 -12.300 -7.986 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -3.747 -13.785 -10.994 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -1.635 -12.431 -10.548 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.602 -13.883 -3.158 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.855 -13.759 -1.731 1.00 0.24 C ATOM 2010 C ALA A 136 -1.582 -12.325 -1.306 1.00 0.21 C ATOM 2011 O ALA A 136 -0.488 -11.810 -1.525 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.990 -14.727 -0.936 1.00 0.26 C ATOM 0 H ALA A 136 -0.728 -14.351 -3.400 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.896 -14.010 -1.528 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.200 -14.613 0.128 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.212 -15.749 -1.242 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.062 -14.513 -1.123 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.564 -11.680 -0.709 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.443 -10.265 -0.397 1.00 0.19 C ATOM 2020 C ALA A 137 -1.505 -10.063 0.783 1.00 0.16 C ATOM 2021 O ALA A 137 -1.760 -10.533 1.890 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.813 -9.655 -0.134 1.00 0.22 C ATOM 0 H ALA A 137 -3.448 -12.106 -0.431 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.014 -9.750 -1.257 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.701 -8.596 0.098 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.438 -9.769 -1.020 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.282 -10.163 0.709 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.401 -9.396 0.519 1.00 0.13 N ATOM 2029 CA LEU A 138 0.615 -9.172 1.521 1.00 0.12 C ATOM 2030 C LEU A 138 0.346 -7.900 2.290 1.00 0.13 C ATOM 2031 O LEU A 138 0.013 -6.873 1.705 1.00 0.15 O ATOM 2032 CB LEU A 138 1.990 -9.089 0.875 1.00 0.13 C ATOM 2033 CG LEU A 138 2.936 -10.204 1.284 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.302 -11.547 1.008 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.268 -10.081 0.566 1.00 0.19 C ATOM 0 H LEU A 138 -0.185 -8.996 -0.394 1.00 0.13 H new ATOM 0 HA LEU A 138 0.590 -10.014 2.213 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.872 -9.106 -0.208 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.443 -8.131 1.131 1.00 0.13 H new ATOM 0 HG LEU A 138 3.127 -10.119 2.354 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.988 -12.341 1.304 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.376 -11.636 1.576 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.084 -11.635 -0.056 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.926 -10.892 0.878 1.00 0.19 H new ATOM 0 HD22 LEU A 138 4.108 -10.137 -0.511 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.728 -9.125 0.815 1.00 0.19 H new ATOM 2047 N CYS A 139 0.499 -7.958 3.600 1.00 0.13 N ATOM 2048 CA CYS A 139 0.333 -6.773 4.408 1.00 0.14 C ATOM 2049 C CYS A 139 1.623 -6.463 5.148 1.00 0.13 C ATOM 2050 O CYS A 139 1.932 -7.039 6.192 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.859 -6.941 5.353 1.00 0.18 C ATOM 2052 SG CYS A 139 -0.724 -8.245 6.584 1.00 1.20 S ATOM 0 H CYS A 139 0.735 -8.804 4.119 1.00 0.13 H new ATOM 0 HA CYS A 139 0.115 -5.919 3.767 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.020 -5.996 5.872 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -1.748 -7.129 4.752 1.00 0.18 H new ATOM 0 HG CYS A 139 -1.298 -9.323 6.139 1.00 1.20 H new ATOM 2058 N LEU A 140 2.377 -5.541 4.589 1.00 0.13 N ATOM 2059 CA LEU A 140 3.702 -5.236 5.086 1.00 0.14 C ATOM 2060 C LEU A 140 3.754 -3.867 5.737 1.00 0.13 C ATOM 2061 O LEU A 140 3.228 -2.894 5.210 1.00 0.12 O ATOM 2062 CB LEU A 140 4.726 -5.316 3.957 1.00 0.17 C ATOM 2063 CG LEU A 140 4.365 -4.553 2.684 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.466 -3.565 2.344 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.143 -5.519 1.531 1.00 0.32 C ATOM 0 H LEU A 140 2.092 -4.985 3.783 1.00 0.13 H new ATOM 0 HA LEU A 140 3.946 -5.979 5.845 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.679 -4.939 4.328 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.876 -6.365 3.700 1.00 0.17 H new ATOM 0 HG LEU A 140 3.439 -4.004 2.853 1.00 0.17 H new ATOM 0 HD11 LEU A 140 5.202 -3.024 1.435 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.586 -2.858 3.165 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.401 -4.102 2.188 1.00 0.26 H new ATOM 0 HD21 LEU A 140 3.887 -4.959 0.632 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.054 -6.091 1.355 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.329 -6.200 1.779 1.00 0.32 H new ATOM 2077 N GLU A 141 4.386 -3.813 6.891 1.00 0.14 N ATOM 2078 CA GLU A 141 4.530 -2.577 7.632 1.00 0.13 C ATOM 2079 C GLU A 141 5.930 -2.018 7.402 1.00 0.12 C ATOM 2080 O GLU A 141 6.920 -2.619 7.817 1.00 0.15 O ATOM 2081 CB GLU A 141 4.263 -2.869 9.108 1.00 0.18 C ATOM 2082 CG GLU A 141 4.468 -1.700 10.053 1.00 0.26 C ATOM 2083 CD GLU A 141 4.110 -2.072 11.480 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.506 -3.173 11.928 1.00 1.05 O ATOM 2085 OE2 GLU A 141 3.416 -1.282 12.149 1.00 1.00 O ATOM 0 H GLU A 141 4.813 -4.622 7.341 1.00 0.14 H new ATOM 0 HA GLU A 141 3.816 -1.825 7.296 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.236 -3.221 9.211 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.913 -3.686 9.422 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.507 -1.374 10.010 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.856 -0.858 9.730 1.00 0.26 H new ATOM 2092 N VAL A 142 6.008 -0.895 6.702 1.00 0.12 N ATOM 2093 CA VAL A 142 7.288 -0.335 6.295 1.00 0.12 C ATOM 2094 C VAL A 142 7.607 0.984 7.001 1.00 0.12 C ATOM 2095 O VAL A 142 6.882 1.974 6.876 1.00 0.15 O ATOM 2096 CB VAL A 142 7.360 -0.133 4.767 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.741 -1.431 4.089 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.031 0.356 4.222 1.00 0.19 C ATOM 0 H VAL A 142 5.197 -0.353 6.404 1.00 0.12 H new ATOM 0 HA VAL A 142 8.039 -1.066 6.594 1.00 0.12 H new ATOM 0 HB VAL A 142 8.119 0.621 4.560 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.789 -1.278 3.011 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.715 -1.759 4.453 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.994 -2.192 4.314 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.108 0.491 3.143 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.255 -0.378 4.442 1.00 0.19 H new ATOM 0 HG23 VAL A 142 5.774 1.307 4.689 1.00 0.19 H new ATOM 2108 N THR A 143 8.682 0.958 7.774 1.00 0.13 N ATOM 2109 CA THR A 143 9.238 2.149 8.392 1.00 0.13 C ATOM 2110 C THR A 143 10.268 2.796 7.476 1.00 0.12 C ATOM 2111 O THR A 143 11.313 2.210 7.206 1.00 0.15 O ATOM 2112 CB THR A 143 9.944 1.800 9.715 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.162 0.852 10.452 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.164 3.049 10.557 1.00 0.22 C ATOM 0 H THR A 143 9.195 0.104 7.991 1.00 0.13 H new ATOM 0 HA THR A 143 8.410 2.833 8.577 1.00 0.13 H new ATOM 0 HB THR A 143 10.915 1.364 9.480 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.618 0.634 11.291 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.664 2.778 11.487 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.783 3.756 10.005 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.202 3.509 10.783 1.00 0.22 H new ATOM 2122 N LEU A 144 9.976 3.989 6.990 1.00 0.13 N ATOM 2123 CA LEU A 144 10.961 4.747 6.236 1.00 0.12 C ATOM 2124 C LEU A 144 11.823 5.531 7.202 1.00 0.12 C ATOM 2125 O LEU A 144 11.449 6.610 7.653 1.00 0.14 O ATOM 2126 CB LEU A 144 10.284 5.681 5.233 1.00 0.14 C ATOM 2127 CG LEU A 144 11.231 6.475 4.326 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.123 5.541 3.524 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.440 7.374 3.396 1.00 0.13 C ATOM 0 H LEU A 144 9.074 4.452 7.102 1.00 0.13 H new ATOM 0 HA LEU A 144 11.586 4.058 5.668 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.618 5.089 4.604 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.660 6.386 5.783 1.00 0.14 H new ATOM 0 HG LEU A 144 11.867 7.095 4.958 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.786 6.128 2.888 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.718 4.933 4.205 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.505 4.892 2.903 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.126 7.931 2.758 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.781 6.766 2.776 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.844 8.071 3.984 1.00 0.13 H new ATOM 2141 N LYS A 145 12.965 4.962 7.536 1.00 0.14 N ATOM 2142 CA LYS A 145 13.807 5.505 8.586 1.00 0.17 C ATOM 2143 C LYS A 145 14.829 6.473 8.012 1.00 0.16 C ATOM 2144 O LYS A 145 15.250 7.415 8.682 1.00 0.21 O ATOM 2145 CB LYS A 145 14.521 4.367 9.311 1.00 0.26 C ATOM 2146 CG LYS A 145 13.625 3.176 9.601 1.00 0.40 C ATOM 2147 CD LYS A 145 14.421 2.004 10.149 1.00 0.60 C ATOM 2148 CE LYS A 145 15.433 1.506 9.132 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.478 0.645 9.758 1.00 1.08 N ATOM 0 H LYS A 145 13.333 4.120 7.093 1.00 0.14 H new ATOM 0 HA LYS A 145 13.177 6.048 9.290 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.367 4.037 8.708 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.927 4.743 10.250 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.857 3.463 10.319 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.112 2.874 8.688 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.936 2.305 11.061 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.743 1.194 10.418 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.918 0.943 8.354 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.909 2.358 8.647 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.363 0.726 9.218 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.641 0.953 10.738 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.160 -0.345 9.755 1.00 1.08 H new ATOM 2163 N THR A 146 15.241 6.233 6.774 1.00 0.16 N ATOM 2164 CA THR A 146 16.249 7.066 6.141 1.00 0.19 C ATOM 2165 C THR A 146 16.079 7.081 4.629 1.00 0.17 C ATOM 2166 O THR A 146 15.630 6.100 4.036 1.00 0.16 O ATOM 2167 CB THR A 146 17.670 6.564 6.474 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.794 6.359 7.887 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.737 7.549 6.018 1.00 0.37 C ATOM 0 H THR A 146 14.893 5.471 6.192 1.00 0.16 H new ATOM 0 HA THR A 146 16.118 8.076 6.530 1.00 0.19 H new ATOM 0 HB THR A 146 17.821 5.625 5.941 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.697 6.039 8.093 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.723 7.160 6.270 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.667 7.688 4.939 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.586 8.506 6.517 1.00 0.37 H new ATOM 2177 N ALA A 147 16.428 8.202 4.019 1.00 0.20 N ATOM 2178 CA ALA A 147 16.467 8.317 2.573 1.00 0.19 C ATOM 2179 C ALA A 147 17.670 9.147 2.170 1.00 0.22 C ATOM 2180 O ALA A 147 17.860 10.243 2.693 1.00 0.25 O ATOM 2181 CB ALA A 147 15.195 8.964 2.057 1.00 0.21 C ATOM 0 H ALA A 147 16.691 9.055 4.512 1.00 0.20 H new ATOM 0 HA ALA A 147 16.547 7.321 2.138 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.241 9.042 0.971 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.336 8.355 2.341 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.092 9.960 2.489 1.00 0.21 H new ATOM 2187 N VAL A 148 18.489 8.649 1.250 1.00 0.24 N ATOM 2188 CA VAL A 148 19.678 9.395 0.868 1.00 0.31 C ATOM 2189 C VAL A 148 19.781 9.552 -0.634 1.00 0.34 C ATOM 2190 O VAL A 148 19.555 8.610 -1.398 1.00 0.36 O ATOM 2191 CB VAL A 148 20.983 8.775 1.405 1.00 0.42 C ATOM 2192 CG1 VAL A 148 20.984 8.779 2.928 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.192 7.365 0.883 1.00 0.75 C ATOM 0 H VAL A 148 18.357 7.759 0.769 1.00 0.24 H new ATOM 0 HA VAL A 148 19.560 10.376 1.329 1.00 0.31 H new ATOM 0 HB VAL A 148 21.810 9.387 1.046 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.912 8.338 3.292 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.903 9.804 3.289 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.138 8.198 3.294 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.122 6.963 1.284 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.359 6.734 1.195 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.245 7.384 -0.206 1.00 0.75 H new