USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=33 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 67 THR OG1 : rot 44:sc= -0.242 USER MOD Set 1.2: A 145 LYS NZ :NH3+ -161:sc= 0.256 (180deg=-0.229) USER MOD Set 1.3: A 146 THR OG1 : rot 87:sc= -0.202 USER MOD Set 2.1: A 115 THR OG1 : rot 117:sc= 2.2 USER MOD Set 2.2: A 139 CYS SG : rot 60:sc= 1.31 USER MOD Set 3.1: A 48 LYS NZ :NH3+ 180:sc= -1.61 (180deg=-1.61) USER MOD Set 3.2: A 113 MET CE :methyl 177:sc=-0.00239 (180deg=-0.0234) USER MOD Set 4.1: A 93 CYS SG : rot -44:sc= 1.74 USER MOD Set 4.2: A 97 GLN :FLIP amide:sc= 1.85 F(o=1.1,f=3.6) USER MOD Set 5.1: A 81 GLN : amide:sc= -0.804! X(o=-0.8!,f=-0.39) USER MOD Set 5.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 42 ASN : amide:sc= -3.27! C(o=-2!,f=-4!) USER MOD Set 6.2: A 120 TYR OH : rot 57:sc= 1.24 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= -1.2 (180deg=-1.31) USER MOD Single : A 49 THR OG1 : rot 50:sc= 0.0865 USER MOD Single : A 57 SER OG : rot 81:sc= 1.27 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0542 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.808 F(o=-5.8!,f=-0.81) USER MOD Single : A 69 HIS : no HE2:sc= -8.63! C(o=-8.6!,f=-9.4!) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.91! C(o=-9.1!,f=-2.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 73 SER OG : rot 75:sc= -0.283 USER MOD Single : A 76 ASN :FLIP amide:sc= -2.3! C(o=-7.8!,f=-2.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -130:sc= -0.872 USER MOD Single : A 106 MET CE :methyl -118:sc= -2.93 (180deg=-3.89!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.915 USER MOD Single : A 118 SER OG : rot 177:sc= -0.199 USER MOD Single : A 119 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0196) USER MOD Single : A 121 CYS SG : rot 79:sc= -1.76 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.0274 F(o=-0.6,f=-0.027) USER MOD Single : A 127 SER OG : rot 180:sc= -0.641 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= -0.28 USER MOD Single : A 135 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.53) USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.665 USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.892 1.323 2.136 1.00 0.53 N ATOM 490 CA TRP A 36 -7.144 2.567 2.224 1.00 0.45 C ATOM 491 C TRP A 36 -6.955 3.189 0.846 1.00 0.46 C ATOM 492 O TRP A 36 -7.690 2.888 -0.095 1.00 0.52 O ATOM 493 CB TRP A 36 -5.769 2.311 2.851 1.00 0.38 C ATOM 494 CG TRP A 36 -5.771 1.228 3.884 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.669 1.059 4.896 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.815 0.173 4.011 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.341 -0.052 5.633 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.203 -0.609 5.119 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.662 -0.192 3.303 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.487 -1.732 5.520 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.966 -1.299 3.702 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.369 -2.056 4.803 1.00 0.19 C ATOM 0 HA TRP A 36 -7.713 3.256 2.848 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.063 2.048 2.063 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.409 3.234 3.306 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.514 1.704 5.089 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.863 -0.405 6.435 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.329 0.391 2.457 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.802 -2.325 6.366 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.084 -1.594 3.153 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.785 -2.916 5.095 1.00 0.19 H new ATOM 513 N LEU A 37 -5.958 4.052 0.739 1.00 0.43 N ATOM 514 CA LEU A 37 -5.647 4.704 -0.516 1.00 0.42 C ATOM 515 C LEU A 37 -5.072 3.700 -1.508 1.00 0.37 C ATOM 516 O LEU A 37 -3.969 3.173 -1.315 1.00 0.35 O ATOM 517 CB LEU A 37 -4.656 5.843 -0.278 1.00 0.45 C ATOM 518 CG LEU A 37 -4.247 6.625 -1.526 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.443 7.352 -2.121 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.134 7.603 -1.191 1.00 0.50 C ATOM 0 H LEU A 37 -5.349 4.316 1.513 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.565 5.116 -0.936 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.092 6.538 0.439 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.758 5.431 0.183 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.876 5.921 -2.271 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.130 7.902 -3.008 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.210 6.627 -2.395 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.848 8.048 -1.386 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.851 8.154 -2.088 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.481 8.302 -0.430 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.270 7.056 -0.814 1.00 0.50 H new ATOM 532 N ASP A 38 -5.848 3.411 -2.544 1.00 0.38 N ATOM 533 CA ASP A 38 -5.418 2.557 -3.635 1.00 0.41 C ATOM 534 C ASP A 38 -4.294 3.212 -4.430 1.00 0.39 C ATOM 535 O ASP A 38 -4.518 4.110 -5.237 1.00 0.44 O ATOM 536 CB ASP A 38 -6.608 2.176 -4.540 1.00 0.56 C ATOM 537 CG ASP A 38 -7.643 3.283 -4.709 1.00 1.78 C ATOM 538 OD1 ASP A 38 -8.168 3.785 -3.690 1.00 2.51 O ATOM 539 OD2 ASP A 38 -7.967 3.625 -5.860 1.00 2.14 O ATOM 0 H ASP A 38 -6.798 3.766 -2.649 1.00 0.38 H new ATOM 0 HA ASP A 38 -5.023 1.635 -3.209 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.228 1.896 -5.522 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -7.098 1.295 -4.125 1.00 0.56 H new ATOM 544 N ILE A 39 -3.081 2.727 -4.179 1.00 0.38 N ATOM 545 CA ILE A 39 -1.862 3.263 -4.778 1.00 0.38 C ATOM 546 C ILE A 39 -1.958 3.306 -6.293 1.00 0.39 C ATOM 547 O ILE A 39 -1.641 4.313 -6.920 1.00 0.46 O ATOM 548 CB ILE A 39 -0.638 2.411 -4.385 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.523 2.334 -2.861 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.637 2.967 -5.010 1.00 0.41 C ATOM 551 CD1 ILE A 39 0.773 1.714 -2.379 1.00 0.43 C ATOM 0 H ILE A 39 -2.915 1.943 -3.548 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.743 4.278 -4.399 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.775 1.401 -4.771 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.611 3.339 -2.448 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -1.360 1.755 -2.471 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.485 2.348 -4.717 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.542 2.962 -6.096 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.796 3.988 -4.664 1.00 0.41 H new ATOM 0 HD11 ILE A 39 0.783 1.693 -1.289 1.00 0.43 H new ATOM 0 HD12 ILE A 39 0.854 0.697 -2.762 1.00 0.43 H new ATOM 0 HD13 ILE A 39 1.615 2.306 -2.738 1.00 0.43 H new ATOM 563 N LEU A 40 -2.384 2.198 -6.875 1.00 0.39 N ATOM 564 CA LEU A 40 -2.516 2.118 -8.321 1.00 0.49 C ATOM 565 C LEU A 40 -3.978 2.173 -8.731 1.00 0.49 C ATOM 566 O LEU A 40 -4.330 1.875 -9.870 1.00 0.62 O ATOM 567 CB LEU A 40 -1.846 0.855 -8.866 1.00 0.56 C ATOM 568 CG LEU A 40 -0.316 0.861 -8.809 1.00 0.59 C ATOM 569 CD1 LEU A 40 0.242 -0.415 -9.416 1.00 0.62 C ATOM 570 CD2 LEU A 40 0.243 2.083 -9.526 1.00 0.72 C ATOM 0 H LEU A 40 -2.643 1.348 -6.374 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.007 2.980 -8.753 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.213 -0.004 -8.304 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.156 0.715 -9.902 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.011 0.909 -7.764 1.00 0.59 H new ATOM 0 HD11 LEU A 40 1.331 -0.395 -9.368 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -0.130 -1.275 -8.860 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.074 -0.491 -10.456 1.00 0.62 H new ATOM 0 HD21 LEU A 40 1.332 2.069 -9.474 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.071 2.068 -10.570 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.131 2.988 -9.048 1.00 0.72 H new ATOM 582 N GLY A 41 -4.822 2.543 -7.776 1.00 0.43 N ATOM 583 CA GLY A 41 -6.238 2.737 -8.044 1.00 0.51 C ATOM 584 C GLY A 41 -6.974 1.447 -8.346 1.00 0.45 C ATOM 585 O GLY A 41 -8.141 1.459 -8.727 1.00 0.52 O ATOM 0 H GLY A 41 -4.548 2.714 -6.808 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.701 3.218 -7.182 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.351 3.418 -8.888 1.00 0.51 H new ATOM 589 N ASN A 42 -6.284 0.330 -8.190 1.00 0.39 N ATOM 590 CA ASN A 42 -6.878 -0.966 -8.476 1.00 0.42 C ATOM 591 C ASN A 42 -7.354 -1.655 -7.202 1.00 0.43 C ATOM 592 O ASN A 42 -8.086 -2.637 -7.258 1.00 0.56 O ATOM 593 CB ASN A 42 -5.897 -1.854 -9.265 1.00 0.49 C ATOM 594 CG ASN A 42 -4.699 -2.379 -8.473 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.137 -3.413 -8.813 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.306 -1.702 -7.403 1.00 0.44 N ATOM 0 H ASN A 42 -5.317 0.293 -7.869 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.757 -0.802 -9.100 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.447 -2.706 -9.665 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.525 -1.286 -10.118 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.522 -2.040 -6.845 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -4.788 -0.843 -7.137 1.00 0.44 H new ATOM 603 N GLY A 43 -6.937 -1.132 -6.052 1.00 0.40 N ATOM 604 CA GLY A 43 -7.396 -1.681 -4.784 1.00 0.50 C ATOM 605 C GLY A 43 -6.521 -2.815 -4.282 1.00 0.45 C ATOM 606 O GLY A 43 -6.520 -3.134 -3.096 1.00 0.72 O ATOM 0 H GLY A 43 -6.294 -0.344 -5.973 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -7.419 -0.888 -4.037 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.419 -2.041 -4.898 1.00 0.50 H new ATOM 610 N LEU A 44 -5.751 -3.400 -5.184 1.00 0.29 N ATOM 611 CA LEU A 44 -4.857 -4.501 -4.845 1.00 0.36 C ATOM 612 C LEU A 44 -3.650 -3.953 -4.108 1.00 0.25 C ATOM 613 O LEU A 44 -2.979 -4.646 -3.357 1.00 0.27 O ATOM 614 CB LEU A 44 -4.398 -5.228 -6.115 1.00 0.60 C ATOM 615 CG LEU A 44 -5.440 -6.131 -6.780 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.630 -5.346 -7.304 1.00 1.46 C ATOM 617 CD2 LEU A 44 -4.810 -6.926 -7.900 1.00 1.56 C ATOM 0 H LEU A 44 -5.726 -3.129 -6.167 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.389 -5.210 -4.211 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.075 -4.482 -6.841 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.525 -5.833 -5.869 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.809 -6.813 -6.014 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -7.342 -6.030 -7.767 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -7.113 -4.823 -6.478 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.290 -4.621 -8.043 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -5.564 -7.563 -8.363 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.404 -6.244 -8.647 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -4.007 -7.546 -7.500 1.00 1.56 H new ATOM 629 N LEU A 45 -3.396 -2.690 -4.367 1.00 0.23 N ATOM 630 CA LEU A 45 -2.279 -1.969 -3.785 1.00 0.22 C ATOM 631 C LEU A 45 -2.787 -0.791 -2.959 1.00 0.22 C ATOM 632 O LEU A 45 -3.372 0.134 -3.517 1.00 0.32 O ATOM 633 CB LEU A 45 -1.379 -1.463 -4.915 1.00 0.30 C ATOM 634 CG LEU A 45 -0.015 -0.926 -4.499 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.562 -1.738 -3.355 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.915 -0.971 -5.691 1.00 0.31 C ATOM 0 H LEU A 45 -3.966 -2.124 -4.996 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.715 -2.633 -3.130 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.225 -2.278 -5.622 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.910 -0.674 -5.449 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.127 0.102 -4.155 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.536 -1.334 -3.077 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.110 -1.688 -2.498 1.00 0.28 H new ATOM 0 HD13 LEU A 45 0.675 -2.776 -3.667 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.894 -0.588 -5.403 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.015 -2.000 -6.036 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.507 -0.357 -6.494 1.00 0.31 H new ATOM 648 N ARG A 46 -2.589 -0.831 -1.641 1.00 0.20 N ATOM 649 CA ARG A 46 -3.056 0.249 -0.763 1.00 0.22 C ATOM 650 C ARG A 46 -2.081 0.533 0.377 1.00 0.19 C ATOM 651 O ARG A 46 -1.634 -0.385 1.053 1.00 0.19 O ATOM 652 CB ARG A 46 -4.425 -0.103 -0.191 1.00 0.25 C ATOM 653 CG ARG A 46 -5.528 -0.056 -1.228 1.00 0.36 C ATOM 654 CD ARG A 46 -6.820 -0.647 -0.706 1.00 0.37 C ATOM 655 NE ARG A 46 -6.747 -2.109 -0.642 1.00 0.54 N ATOM 656 CZ ARG A 46 -6.998 -2.831 0.449 1.00 0.75 C ATOM 657 NH1 ARG A 46 -7.309 -2.234 1.585 1.00 1.14 N ATOM 658 NH2 ARG A 46 -6.922 -4.153 0.401 1.00 0.99 N ATOM 0 H ARG A 46 -2.112 -1.592 -1.158 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.124 1.152 -1.369 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.385 -1.101 0.244 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.664 0.588 0.617 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.698 0.977 -1.531 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.213 -0.601 -2.118 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.031 -0.247 0.286 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.646 -0.350 -1.352 1.00 0.37 H new ATOM 0 HE ARG A 46 -6.486 -2.609 -1.492 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -7.358 -1.216 1.630 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -7.500 -2.791 2.418 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.671 -4.618 -0.471 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -7.114 -4.706 1.237 1.00 0.99 H new ATOM 672 N LYS A 47 -1.792 1.812 0.600 1.00 0.20 N ATOM 673 CA LYS A 47 -0.861 2.238 1.644 1.00 0.17 C ATOM 674 C LYS A 47 -1.623 2.936 2.770 1.00 0.18 C ATOM 675 O LYS A 47 -2.358 3.890 2.519 1.00 0.22 O ATOM 676 CB LYS A 47 0.163 3.219 1.050 1.00 0.23 C ATOM 677 CG LYS A 47 1.429 3.370 1.874 1.00 0.25 C ATOM 678 CD LYS A 47 2.120 4.697 1.617 1.00 0.32 C ATOM 679 CE LYS A 47 1.427 5.839 2.362 1.00 0.20 C ATOM 680 NZ LYS A 47 2.366 6.940 2.727 1.00 0.35 N ATOM 0 H LYS A 47 -2.194 2.581 0.065 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.349 1.361 2.041 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.432 2.884 0.048 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.307 4.197 0.943 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.184 3.288 2.933 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.113 2.554 1.641 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.162 4.634 1.932 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.123 4.907 0.547 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.627 6.240 1.740 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.962 5.448 3.267 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.857 7.664 3.273 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.144 6.557 3.301 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.752 7.368 1.861 1.00 0.35 H new ATOM 694 N LYS A 48 -1.463 2.467 4.005 1.00 0.16 N ATOM 695 CA LYS A 48 -2.103 3.122 5.141 1.00 0.18 C ATOM 696 C LYS A 48 -1.068 3.723 6.079 1.00 0.17 C ATOM 697 O LYS A 48 -0.209 3.019 6.617 1.00 0.22 O ATOM 698 CB LYS A 48 -3.000 2.156 5.920 1.00 0.25 C ATOM 699 CG LYS A 48 -3.863 2.858 6.961 1.00 0.32 C ATOM 700 CD LYS A 48 -4.848 1.913 7.634 1.00 0.69 C ATOM 701 CE LYS A 48 -4.154 0.882 8.506 1.00 0.52 C ATOM 702 NZ LYS A 48 -3.274 1.526 9.520 1.00 1.07 N ATOM 0 H LYS A 48 -0.904 1.648 4.242 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.725 3.920 4.736 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.644 1.623 5.221 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.378 1.409 6.414 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -3.220 3.307 7.718 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.411 3.671 6.485 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -5.544 2.490 8.242 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.438 1.403 6.872 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -4.901 0.268 9.009 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.561 0.215 7.880 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -2.816 0.793 10.098 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -2.546 2.092 9.039 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -3.844 2.144 10.132 1.00 1.07 H new ATOM 716 N THR A 49 -1.177 5.022 6.277 1.00 0.18 N ATOM 717 CA THR A 49 -0.285 5.767 7.146 1.00 0.20 C ATOM 718 C THR A 49 -0.587 5.511 8.616 1.00 0.21 C ATOM 719 O THR A 49 -1.573 6.015 9.158 1.00 0.29 O ATOM 720 CB THR A 49 -0.400 7.266 6.833 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.774 7.611 6.599 1.00 0.33 O ATOM 722 CG2 THR A 49 0.424 7.609 5.607 1.00 0.25 C ATOM 0 H THR A 49 -1.894 5.597 5.835 1.00 0.18 H new ATOM 0 HA THR A 49 0.734 5.429 6.959 1.00 0.20 H new ATOM 0 HB THR A 49 -0.024 7.832 7.685 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.328 7.263 7.329 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.335 8.674 5.395 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.470 7.362 5.791 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.061 7.037 4.753 1.00 0.25 H new ATOM 730 N LEU A 50 0.250 4.694 9.248 1.00 0.18 N ATOM 731 CA LEU A 50 0.179 4.504 10.689 1.00 0.21 C ATOM 732 C LEU A 50 0.627 5.802 11.320 1.00 0.23 C ATOM 733 O LEU A 50 -0.078 6.435 12.106 1.00 0.28 O ATOM 734 CB LEU A 50 1.120 3.378 11.130 1.00 0.21 C ATOM 735 CG LEU A 50 1.172 2.164 10.201 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.347 1.279 10.565 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.119 1.376 10.272 1.00 0.24 C ATOM 0 H LEU A 50 0.982 4.156 8.785 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.834 4.235 10.990 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.127 3.785 11.225 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.817 3.042 12.122 1.00 0.21 H new ATOM 0 HG LEU A 50 1.299 2.519 9.178 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.374 0.418 9.897 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.273 1.845 10.466 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.240 0.937 11.594 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.059 0.518 9.603 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.278 1.030 11.293 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -0.951 2.013 9.971 1.00 0.24 H new ATOM 749 N VAL A 51 1.828 6.172 10.925 1.00 0.23 N ATOM 750 CA VAL A 51 2.395 7.478 11.178 1.00 0.27 C ATOM 751 C VAL A 51 2.955 7.966 9.873 1.00 0.24 C ATOM 752 O VAL A 51 3.742 7.258 9.269 1.00 0.23 O ATOM 753 CB VAL A 51 3.559 7.402 12.168 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.122 8.784 12.469 1.00 0.36 C ATOM 755 CG2 VAL A 51 3.131 6.693 13.434 1.00 0.36 C ATOM 0 H VAL A 51 2.452 5.555 10.405 1.00 0.23 H new ATOM 0 HA VAL A 51 1.625 8.130 11.590 1.00 0.27 H new ATOM 0 HB VAL A 51 4.359 6.822 11.708 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.947 8.695 13.175 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.482 9.239 11.546 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.341 9.409 12.901 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.971 6.648 14.127 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.308 7.238 13.896 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.805 5.681 13.192 1.00 0.36 H new ATOM 765 N PRO A 52 2.543 9.126 9.391 1.00 0.29 N ATOM 766 CA PRO A 52 3.027 9.664 8.145 1.00 0.32 C ATOM 767 C PRO A 52 3.964 10.856 8.305 1.00 0.34 C ATOM 768 O PRO A 52 3.636 11.980 7.924 1.00 0.54 O ATOM 769 CB PRO A 52 1.713 10.045 7.495 1.00 0.41 C ATOM 770 CG PRO A 52 0.764 10.349 8.632 1.00 0.46 C ATOM 771 CD PRO A 52 1.479 9.971 9.909 1.00 0.37 C ATOM 0 HA PRO A 52 3.646 8.970 7.577 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.835 10.912 6.845 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.333 9.233 6.875 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.493 11.405 8.638 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.162 9.783 8.525 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.865 10.842 10.439 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.829 9.438 10.603 1.00 0.37 H new ATOM 779 N GLY A 53 5.133 10.590 8.877 1.00 0.24 N ATOM 780 CA GLY A 53 6.171 11.593 8.962 1.00 0.28 C ATOM 781 C GLY A 53 5.896 12.655 10.003 1.00 0.29 C ATOM 782 O GLY A 53 4.750 12.862 10.414 1.00 0.55 O ATOM 0 H GLY A 53 5.379 9.688 9.286 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.119 11.106 9.192 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.286 12.070 7.989 1.00 0.28 H new ATOM 821 N SER A 57 8.343 16.793 6.838 1.00 0.52 N ATOM 822 CA SER A 57 9.137 15.711 6.305 1.00 0.40 C ATOM 823 C SER A 57 9.441 15.945 4.830 1.00 0.34 C ATOM 824 O SER A 57 9.288 17.054 4.317 1.00 0.43 O ATOM 825 CB SER A 57 8.382 14.401 6.495 1.00 0.40 C ATOM 826 OG SER A 57 6.981 14.614 6.431 1.00 0.99 O ATOM 0 HA SER A 57 10.087 15.663 6.837 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.682 13.688 5.727 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.644 13.961 7.457 1.00 0.40 H new ATOM 0 HG SER A 57 6.700 14.664 5.493 1.00 0.99 H new ATOM 832 N SER A 58 9.903 14.906 4.160 1.00 0.28 N ATOM 833 CA SER A 58 10.166 14.966 2.736 1.00 0.30 C ATOM 834 C SER A 58 9.951 13.589 2.138 1.00 0.27 C ATOM 835 O SER A 58 10.176 12.589 2.806 1.00 0.38 O ATOM 836 CB SER A 58 11.599 15.429 2.478 1.00 0.38 C ATOM 837 OG SER A 58 11.862 16.648 3.147 1.00 1.28 O ATOM 0 H SER A 58 10.105 14.001 4.586 1.00 0.28 H new ATOM 0 HA SER A 58 9.486 15.681 2.272 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.299 14.665 2.816 1.00 0.38 H new ATOM 0 HB3 SER A 58 11.758 15.555 1.407 1.00 0.38 H new ATOM 0 HG SER A 58 12.785 16.926 2.970 1.00 1.28 H new ATOM 843 N ARG A 59 9.495 13.533 0.909 1.00 0.32 N ATOM 844 CA ARG A 59 9.304 12.256 0.251 1.00 0.30 C ATOM 845 C ARG A 59 10.513 11.925 -0.609 1.00 0.27 C ATOM 846 O ARG A 59 10.838 12.654 -1.549 1.00 0.34 O ATOM 847 CB ARG A 59 8.017 12.268 -0.568 1.00 0.42 C ATOM 848 CG ARG A 59 6.818 12.672 0.267 1.00 0.64 C ATOM 849 CD ARG A 59 5.512 12.594 -0.503 1.00 0.68 C ATOM 850 NE ARG A 59 4.376 12.838 0.384 1.00 1.41 N ATOM 851 CZ ARG A 59 3.183 13.273 -0.008 1.00 1.81 C ATOM 852 NH1 ARG A 59 2.948 13.551 -1.287 1.00 1.78 N ATOM 853 NH2 ARG A 59 2.223 13.441 0.891 1.00 2.81 N ATOM 0 H ARG A 59 9.250 14.348 0.346 1.00 0.32 H new ATOM 0 HA ARG A 59 9.207 11.475 1.005 1.00 0.30 H new ATOM 0 HB2 ARG A 59 8.126 12.958 -1.405 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.847 11.278 -0.992 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.757 12.027 1.143 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.960 13.690 0.630 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.515 13.327 -1.309 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.415 11.612 -0.966 1.00 0.68 H new ATOM 0 HE ARG A 59 4.509 12.661 1.380 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.687 13.431 -1.979 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.028 13.884 -1.576 1.00 1.78 H new ATOM 0 HH21 ARG A 59 2.403 13.237 1.874 1.00 2.81 H new ATOM 0 HH22 ARG A 59 1.304 13.774 0.600 1.00 2.81 H new ATOM 867 N PRO A 60 11.218 10.833 -0.256 1.00 0.23 N ATOM 868 CA PRO A 60 12.428 10.381 -0.956 1.00 0.26 C ATOM 869 C PRO A 60 12.247 10.303 -2.466 1.00 0.26 C ATOM 870 O PRO A 60 11.179 9.933 -2.960 1.00 0.28 O ATOM 871 CB PRO A 60 12.673 8.975 -0.383 1.00 0.30 C ATOM 872 CG PRO A 60 11.419 8.631 0.346 1.00 0.28 C ATOM 873 CD PRO A 60 10.903 9.935 0.862 1.00 0.21 C ATOM 0 HA PRO A 60 13.255 11.075 -0.806 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.878 8.256 -1.176 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.533 8.966 0.286 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.696 8.154 -0.316 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.614 7.933 1.160 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.834 9.900 1.072 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.399 10.237 1.784 1.00 0.21 H new ATOM 881 N VAL A 61 13.303 10.626 -3.199 1.00 0.29 N ATOM 882 CA VAL A 61 13.241 10.600 -4.648 1.00 0.31 C ATOM 883 C VAL A 61 13.622 9.223 -5.160 1.00 0.28 C ATOM 884 O VAL A 61 14.463 8.538 -4.574 1.00 0.27 O ATOM 885 CB VAL A 61 14.178 11.640 -5.293 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.862 11.808 -6.774 1.00 0.81 C ATOM 887 CG2 VAL A 61 14.095 12.974 -4.564 1.00 0.88 C ATOM 0 H VAL A 61 14.205 10.907 -2.815 1.00 0.29 H new ATOM 0 HA VAL A 61 12.215 10.844 -4.925 1.00 0.31 H new ATOM 0 HB VAL A 61 15.201 11.273 -5.205 1.00 0.40 H new ATOM 0 HG11 VAL A 61 14.536 12.547 -7.208 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.992 10.854 -7.284 1.00 0.81 H new ATOM 0 HG13 VAL A 61 12.832 12.144 -6.890 1.00 0.81 H new ATOM 0 HG21 VAL A 61 14.766 13.690 -5.039 1.00 0.88 H new ATOM 0 HG22 VAL A 61 13.073 13.350 -4.608 1.00 0.88 H new ATOM 0 HG23 VAL A 61 14.387 12.838 -3.523 1.00 0.88 H new ATOM 897 N LYS A 62 12.992 8.820 -6.242 1.00 0.27 N ATOM 898 CA LYS A 62 13.298 7.554 -6.881 1.00 0.27 C ATOM 899 C LYS A 62 14.705 7.588 -7.438 1.00 0.25 C ATOM 900 O LYS A 62 14.983 8.229 -8.452 1.00 0.31 O ATOM 901 CB LYS A 62 12.281 7.247 -7.977 1.00 0.30 C ATOM 902 CG LYS A 62 10.918 6.854 -7.439 1.00 0.37 C ATOM 903 CD LYS A 62 9.907 6.668 -8.554 1.00 0.41 C ATOM 904 CE LYS A 62 8.578 6.175 -8.014 1.00 0.60 C ATOM 905 NZ LYS A 62 7.561 6.042 -9.088 1.00 1.17 N ATOM 0 H LYS A 62 12.257 9.356 -6.703 1.00 0.27 H new ATOM 0 HA LYS A 62 13.238 6.757 -6.140 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.172 8.122 -8.617 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.663 6.440 -8.602 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.005 5.929 -6.869 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.563 7.621 -6.751 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.762 7.613 -9.078 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.293 5.956 -9.283 1.00 0.41 H new ATOM 0 HE2 LYS A 62 8.719 5.211 -7.526 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.215 6.867 -7.254 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 6.667 5.703 -8.679 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 7.407 6.967 -9.537 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 7.896 5.363 -9.801 1.00 1.17 H new ATOM 919 N GLY A 63 15.584 6.913 -6.733 1.00 0.25 N ATOM 920 CA GLY A 63 16.985 6.937 -7.043 1.00 0.27 C ATOM 921 C GLY A 63 17.793 6.942 -5.771 1.00 0.30 C ATOM 922 O GLY A 63 18.906 6.425 -5.716 1.00 0.42 O ATOM 0 H GLY A 63 15.342 6.333 -5.929 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.247 6.068 -7.647 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.220 7.821 -7.636 1.00 0.27 H new ATOM 926 N GLN A 64 17.219 7.522 -4.727 1.00 0.26 N ATOM 927 CA GLN A 64 17.858 7.503 -3.429 1.00 0.28 C ATOM 928 C GLN A 64 17.707 6.117 -2.844 1.00 0.24 C ATOM 929 O GLN A 64 16.629 5.523 -2.938 1.00 0.24 O ATOM 930 CB GLN A 64 17.230 8.524 -2.468 1.00 0.30 C ATOM 931 CG GLN A 64 16.802 9.857 -3.085 1.00 0.36 C ATOM 932 CD GLN A 64 17.912 10.643 -3.768 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.798 9.973 -4.486 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.926 11.871 -3.701 1.00 0.43 N flip ATOM 0 H GLN A 64 16.321 8.006 -4.757 1.00 0.26 H new ATOM 0 HA GLN A 64 18.908 7.767 -3.556 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.357 8.065 -2.003 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.945 8.729 -1.671 1.00 0.30 H new ATOM 0 HG2 GLN A 64 16.014 9.665 -3.813 1.00 0.36 H new ATOM 0 HG3 GLN A 64 16.368 10.479 -2.302 1.00 0.36 H new ATOM 0 HE21 GLN A 64 17.229 12.359 -3.139 1.00 0.43 H new ATOM 0 HE22 GLN A 64 18.635 12.401 -4.208 1.00 0.43 H new ATOM 943 N VAL A 65 18.765 5.584 -2.267 1.00 0.28 N ATOM 944 CA VAL A 65 18.642 4.317 -1.596 1.00 0.31 C ATOM 945 C VAL A 65 18.134 4.580 -0.188 1.00 0.25 C ATOM 946 O VAL A 65 18.763 5.267 0.619 1.00 0.32 O ATOM 947 CB VAL A 65 19.946 3.478 -1.603 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.468 3.319 -3.022 1.00 1.22 C ATOM 949 CG2 VAL A 65 21.013 4.069 -0.700 1.00 1.05 C ATOM 0 H VAL A 65 19.696 6.000 -2.251 1.00 0.28 H new ATOM 0 HA VAL A 65 17.930 3.700 -2.144 1.00 0.31 H new ATOM 0 HB VAL A 65 19.701 2.493 -1.205 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.384 2.728 -3.009 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.718 2.814 -3.631 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.677 4.302 -3.445 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.907 3.447 -0.738 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.257 5.077 -1.037 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.642 4.109 0.324 1.00 1.05 H new ATOM 959 N VAL A 66 16.951 4.094 0.070 1.00 0.19 N ATOM 960 CA VAL A 66 16.256 4.404 1.297 1.00 0.15 C ATOM 961 C VAL A 66 16.193 3.194 2.200 1.00 0.16 C ATOM 962 O VAL A 66 16.136 2.058 1.721 1.00 0.21 O ATOM 963 CB VAL A 66 14.832 4.916 1.004 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.878 6.247 0.274 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.058 3.913 0.172 1.00 0.25 C ATOM 0 H VAL A 66 16.440 3.474 -0.559 1.00 0.19 H new ATOM 0 HA VAL A 66 16.813 5.190 1.806 1.00 0.15 H new ATOM 0 HB VAL A 66 14.327 5.050 1.960 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.862 6.589 0.077 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.396 6.982 0.890 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.409 6.126 -0.670 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.056 4.297 -0.022 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.574 3.750 -0.774 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.987 2.969 0.713 1.00 0.25 H new ATOM 975 N THR A 67 16.233 3.437 3.502 1.00 0.13 N ATOM 976 CA THR A 67 16.114 2.368 4.462 1.00 0.15 C ATOM 977 C THR A 67 14.660 2.176 4.835 1.00 0.16 C ATOM 978 O THR A 67 14.041 3.037 5.474 1.00 0.21 O ATOM 979 CB THR A 67 16.895 2.636 5.764 1.00 0.20 C ATOM 980 OG1 THR A 67 16.411 3.824 6.400 1.00 0.29 O ATOM 981 CG2 THR A 67 18.383 2.769 5.531 1.00 0.27 C ATOM 0 H THR A 67 16.347 4.365 3.910 1.00 0.13 H new ATOM 0 HA THR A 67 16.532 1.482 3.984 1.00 0.15 H new ATOM 0 HB THR A 67 16.733 1.772 6.408 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.431 3.826 6.387 1.00 0.29 H new ATOM 0 HG21 THR A 67 18.885 2.957 6.480 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.767 1.847 5.094 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.572 3.599 4.850 1.00 0.27 H new ATOM 989 N VAL A 68 14.104 1.058 4.448 1.00 0.15 N ATOM 990 CA VAL A 68 12.802 0.702 4.932 1.00 0.15 C ATOM 991 C VAL A 68 12.920 -0.484 5.854 1.00 0.15 C ATOM 992 O VAL A 68 13.746 -1.360 5.651 1.00 0.17 O ATOM 993 CB VAL A 68 11.788 0.382 3.811 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.480 1.624 2.986 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.296 -0.740 2.918 1.00 0.19 C ATOM 0 H VAL A 68 14.528 0.387 3.807 1.00 0.15 H new ATOM 0 HA VAL A 68 12.416 1.574 5.460 1.00 0.15 H new ATOM 0 HB VAL A 68 10.865 0.048 4.284 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.764 1.373 2.204 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.057 2.394 3.631 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.398 1.996 2.532 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.563 -0.944 2.138 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.239 -0.442 2.460 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.451 -1.639 3.515 1.00 0.19 H new ATOM 1005 N HIS A 69 12.135 -0.486 6.894 1.00 0.14 N ATOM 1006 CA HIS A 69 12.017 -1.662 7.711 1.00 0.15 C ATOM 1007 C HIS A 69 10.717 -2.316 7.334 1.00 0.14 C ATOM 1008 O HIS A 69 9.661 -1.738 7.539 1.00 0.15 O ATOM 1009 CB HIS A 69 12.025 -1.331 9.214 1.00 0.15 C ATOM 1010 CG HIS A 69 11.788 -2.543 10.084 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.163 -2.645 11.405 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.206 -3.724 9.783 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.817 -3.842 11.861 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.238 -4.508 10.896 1.00 0.18 N ATOM 0 H HIS A 69 11.570 0.308 7.196 1.00 0.14 H new ATOM 0 HA HIS A 69 12.870 -2.319 7.539 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.983 -0.883 9.477 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.257 -0.586 9.421 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.631 -1.918 11.946 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.788 -3.999 8.826 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.986 -4.206 12.864 1.00 0.18 H new ATOM 1023 N LEU A 70 10.782 -3.516 6.802 1.00 0.15 N ATOM 1024 CA LEU A 70 9.563 -4.192 6.460 1.00 0.16 C ATOM 1025 C LEU A 70 9.405 -5.458 7.273 1.00 0.15 C ATOM 1026 O LEU A 70 10.353 -6.204 7.506 1.00 0.21 O ATOM 1027 CB LEU A 70 9.441 -4.491 4.960 1.00 0.21 C ATOM 1028 CG LEU A 70 9.856 -5.891 4.519 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.363 -6.165 3.106 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.364 -6.058 4.584 1.00 0.38 C ATOM 0 H LEU A 70 11.642 -4.027 6.603 1.00 0.15 H new ATOM 0 HA LEU A 70 8.751 -3.508 6.706 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.405 -4.330 4.661 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.046 -3.766 4.415 1.00 0.21 H new ATOM 0 HG LEU A 70 9.402 -6.609 5.202 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.666 -7.167 2.803 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.276 -6.091 3.079 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.794 -5.434 2.422 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.633 -7.065 4.264 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.839 -5.330 3.927 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.704 -5.899 5.607 1.00 0.38 H new ATOM 1042 N GLN A 71 8.212 -5.633 7.768 1.00 0.13 N ATOM 1043 CA GLN A 71 7.782 -6.888 8.336 1.00 0.14 C ATOM 1044 C GLN A 71 6.472 -7.182 7.699 1.00 0.14 C ATOM 1045 O GLN A 71 5.493 -6.459 7.881 1.00 0.14 O ATOM 1046 CB GLN A 71 7.609 -6.841 9.847 1.00 0.15 C ATOM 1047 CG GLN A 71 8.539 -5.875 10.545 1.00 0.15 C ATOM 1048 CD GLN A 71 7.939 -4.503 10.700 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.984 -4.186 9.855 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.306 -3.751 11.596 1.00 0.18 N flip ATOM 0 H GLN A 71 7.500 -4.903 7.791 1.00 0.13 H new ATOM 0 HA GLN A 71 8.539 -7.650 8.151 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.579 -6.567 10.076 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.770 -7.840 10.252 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.794 -6.269 11.529 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.468 -5.799 9.981 1.00 0.15 H new ATOM 0 HE21 GLN A 71 9.052 -4.039 12.230 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.866 -2.838 11.708 1.00 0.18 H new ATOM 1059 N THR A 72 6.475 -8.217 6.944 1.00 0.15 N ATOM 1060 CA THR A 72 5.409 -8.476 6.045 1.00 0.16 C ATOM 1061 C THR A 72 4.545 -9.608 6.538 1.00 0.16 C ATOM 1062 O THR A 72 5.039 -10.692 6.845 1.00 0.17 O ATOM 1063 CB THR A 72 5.984 -8.812 4.681 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.784 -7.723 4.211 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.884 -9.098 3.705 1.00 0.19 C ATOM 0 H THR A 72 7.220 -8.913 6.931 1.00 0.15 H new ATOM 0 HA THR A 72 4.782 -7.587 5.975 1.00 0.16 H new ATOM 0 HB THR A 72 6.607 -9.702 4.772 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.154 -7.945 3.331 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.314 -9.337 2.732 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.294 -9.944 4.059 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.242 -8.222 3.613 1.00 0.19 H new ATOM 1073 N SER A 73 3.264 -9.343 6.607 1.00 0.17 N ATOM 1074 CA SER A 73 2.311 -10.300 7.091 1.00 0.17 C ATOM 1075 C SER A 73 1.502 -10.833 5.929 1.00 0.15 C ATOM 1076 O SER A 73 1.343 -10.171 4.906 1.00 0.26 O ATOM 1077 CB SER A 73 1.377 -9.640 8.107 1.00 0.23 C ATOM 1078 OG SER A 73 1.971 -8.474 8.655 1.00 1.06 O ATOM 0 H SER A 73 2.855 -8.452 6.327 1.00 0.17 H new ATOM 0 HA SER A 73 2.840 -11.120 7.576 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.434 -9.381 7.626 1.00 0.23 H new ATOM 0 HB3 SER A 73 1.145 -10.345 8.905 1.00 0.23 H new ATOM 0 HG SER A 73 1.948 -7.753 7.992 1.00 1.06 H new ATOM 1084 N LEU A 74 1.014 -12.032 6.088 1.00 0.19 N ATOM 1085 CA LEU A 74 0.123 -12.628 5.130 1.00 0.18 C ATOM 1086 C LEU A 74 -1.264 -12.067 5.323 1.00 0.19 C ATOM 1087 O LEU A 74 -1.548 -11.453 6.349 1.00 0.21 O ATOM 1088 CB LEU A 74 0.123 -14.142 5.313 1.00 0.22 C ATOM 1089 CG LEU A 74 1.425 -14.831 4.933 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.189 -16.302 4.658 1.00 0.84 C ATOM 1091 CD2 LEU A 74 2.063 -14.139 3.741 1.00 0.72 C ATOM 0 H LEU A 74 1.224 -12.627 6.890 1.00 0.19 H new ATOM 0 HA LEU A 74 0.455 -12.399 4.117 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.100 -14.368 6.356 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.684 -14.566 4.715 1.00 0.22 H new ATOM 0 HG LEU A 74 2.117 -14.758 5.772 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.132 -16.777 4.388 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.785 -16.779 5.551 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.480 -16.410 3.837 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.993 -14.644 3.482 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.381 -14.176 2.891 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.273 -13.099 3.993 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.125 -12.271 4.338 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.529 -11.904 4.458 1.00 0.26 C ATOM 1105 C GLU A 75 -4.171 -12.622 5.647 1.00 0.32 C ATOM 1106 O GLU A 75 -5.262 -12.272 6.095 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.268 -12.254 3.170 1.00 0.30 C ATOM 1108 CG GLU A 75 -3.965 -13.649 2.659 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.811 -14.023 1.464 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.457 -13.640 0.336 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.840 -14.701 1.655 1.00 1.14 O ATOM 0 H GLU A 75 -1.875 -12.691 3.442 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.597 -10.829 4.627 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.341 -12.163 3.340 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.004 -11.528 2.400 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -2.911 -13.713 2.388 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.133 -14.370 3.459 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.464 -13.634 6.149 1.00 0.34 N ATOM 1119 CA ASN A 76 -3.926 -14.430 7.281 1.00 0.41 C ATOM 1120 C ASN A 76 -3.495 -13.772 8.589 1.00 0.39 C ATOM 1121 O ASN A 76 -3.988 -14.116 9.661 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.334 -15.849 7.222 1.00 0.50 C ATOM 1123 CG ASN A 76 -3.695 -16.636 5.966 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -3.890 -15.949 4.850 1.00 2.14 O flip ATOM 1125 ND2 ASN A 76 -3.791 -17.862 6.002 1.00 1.13 N flip ATOM 0 H ASN A 76 -2.557 -13.923 5.782 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.013 -14.490 7.234 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.248 -15.779 7.291 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -3.674 -16.407 8.095 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.634 -18.360 6.878 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -4.027 -18.380 5.156 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.561 -12.827 8.484 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.020 -12.170 9.661 1.00 0.32 C ATOM 1134 C GLY A 77 -0.630 -12.675 9.998 1.00 0.32 C ATOM 1135 O GLY A 77 0.044 -12.141 10.876 1.00 0.51 O ATOM 0 H GLY A 77 -2.169 -12.505 7.599 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.985 -11.094 9.493 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.684 -12.339 10.509 1.00 0.32 H new ATOM 1139 N THR A 78 -0.195 -13.698 9.282 1.00 0.28 N ATOM 1140 CA THR A 78 1.079 -14.338 9.554 1.00 0.28 C ATOM 1141 C THR A 78 2.243 -13.571 8.941 1.00 0.23 C ATOM 1142 O THR A 78 2.398 -13.534 7.725 1.00 0.21 O ATOM 1143 CB THR A 78 1.078 -15.780 9.016 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.104 -16.456 9.466 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.314 -16.533 9.480 1.00 0.39 C ATOM 0 H THR A 78 -0.711 -14.105 8.502 1.00 0.28 H new ATOM 0 HA THR A 78 1.210 -14.347 10.636 1.00 0.28 H new ATOM 0 HB THR A 78 1.090 -15.746 7.927 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.107 -17.374 9.123 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.290 -17.549 9.087 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.207 -16.025 9.117 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.332 -16.566 10.569 1.00 0.39 H new ATOM 1153 N ARG A 79 3.055 -12.952 9.787 1.00 0.24 N ATOM 1154 CA ARG A 79 4.237 -12.247 9.317 1.00 0.22 C ATOM 1155 C ARG A 79 5.317 -13.236 8.911 1.00 0.24 C ATOM 1156 O ARG A 79 5.826 -14.005 9.728 1.00 0.33 O ATOM 1157 CB ARG A 79 4.747 -11.265 10.366 1.00 0.25 C ATOM 1158 CG ARG A 79 3.773 -10.128 10.590 1.00 0.25 C ATOM 1159 CD ARG A 79 4.492 -8.838 10.945 1.00 0.28 C ATOM 1160 NE ARG A 79 3.570 -7.699 11.008 1.00 0.33 N ATOM 1161 CZ ARG A 79 3.897 -6.476 11.442 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.105 -6.241 11.946 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.001 -5.495 11.395 1.00 0.47 N ATOM 0 H ARG A 79 2.917 -12.924 10.797 1.00 0.24 H new ATOM 0 HA ARG A 79 3.962 -11.666 8.437 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.914 -11.791 11.306 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.710 -10.863 10.050 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.176 -9.977 9.691 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.082 -10.392 11.390 1.00 0.25 H new ATOM 0 HD2 ARG A 79 4.993 -8.954 11.906 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.266 -8.638 10.204 1.00 0.28 H new ATOM 0 HE ARG A 79 2.610 -7.850 10.699 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.789 -6.995 12.004 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.347 -5.306 12.275 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.066 -5.675 11.029 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.248 -4.562 11.725 1.00 0.47 H new ATOM 1177 N VAL A 80 5.651 -13.204 7.632 1.00 0.20 N ATOM 1178 CA VAL A 80 6.511 -14.205 7.033 1.00 0.22 C ATOM 1179 C VAL A 80 7.948 -13.728 6.903 1.00 0.21 C ATOM 1180 O VAL A 80 8.854 -14.516 6.633 1.00 0.27 O ATOM 1181 CB VAL A 80 5.985 -14.599 5.646 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.655 -15.310 5.774 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.850 -13.374 4.751 1.00 0.22 C ATOM 0 H VAL A 80 5.333 -12.484 6.983 1.00 0.20 H new ATOM 0 HA VAL A 80 6.500 -15.069 7.698 1.00 0.22 H new ATOM 0 HB VAL A 80 6.703 -15.278 5.186 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.292 -15.584 4.783 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.780 -16.210 6.377 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.934 -14.649 6.254 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.476 -13.677 3.773 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.153 -12.668 5.203 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.824 -12.899 4.635 1.00 0.22 H new ATOM 1193 N GLN A 81 8.153 -12.438 7.088 1.00 0.18 N ATOM 1194 CA GLN A 81 9.471 -11.858 6.934 1.00 0.19 C ATOM 1195 C GLN A 81 9.575 -10.568 7.721 1.00 0.19 C ATOM 1196 O GLN A 81 8.650 -9.753 7.717 1.00 0.26 O ATOM 1197 CB GLN A 81 9.762 -11.608 5.448 1.00 0.23 C ATOM 1198 CG GLN A 81 8.767 -10.676 4.767 1.00 0.23 C ATOM 1199 CD GLN A 81 9.026 -10.525 3.283 1.00 0.37 C ATOM 1200 OE1 GLN A 81 10.162 -10.598 2.822 1.00 0.59 O ATOM 1201 NE2 GLN A 81 7.960 -10.339 2.522 1.00 0.50 N ATOM 0 H GLN A 81 7.424 -11.773 7.345 1.00 0.18 H new ATOM 0 HA GLN A 81 10.212 -12.556 7.323 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.763 -11.187 5.351 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.766 -12.564 4.924 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.757 -11.057 4.918 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.812 -9.695 5.241 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.034 -10.284 2.946 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.064 -10.250 1.511 1.00 0.50 H new ATOM 1210 N GLU A 82 10.685 -10.403 8.416 1.00 0.24 N ATOM 1211 CA GLU A 82 10.961 -9.172 9.122 1.00 0.24 C ATOM 1212 C GLU A 82 12.396 -8.753 8.874 1.00 0.25 C ATOM 1213 O GLU A 82 13.341 -9.463 9.230 1.00 0.41 O ATOM 1214 CB GLU A 82 10.704 -9.315 10.619 1.00 0.35 C ATOM 1215 CG GLU A 82 10.937 -8.017 11.375 1.00 0.44 C ATOM 1216 CD GLU A 82 10.525 -8.091 12.827 1.00 0.82 C ATOM 1217 OE1 GLU A 82 9.308 -8.151 13.096 1.00 1.34 O ATOM 1218 OE2 GLU A 82 11.411 -8.052 13.697 1.00 1.21 O ATOM 0 H GLU A 82 11.412 -11.113 8.505 1.00 0.24 H new ATOM 0 HA GLU A 82 10.286 -8.404 8.744 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.678 -9.646 10.778 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.355 -10.090 11.024 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.993 -7.755 11.317 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.382 -7.215 10.887 1.00 0.44 H new ATOM 1225 N GLU A 83 12.546 -7.613 8.238 1.00 0.22 N ATOM 1226 CA GLU A 83 13.848 -7.085 7.907 1.00 0.26 C ATOM 1227 C GLU A 83 13.949 -5.636 8.366 1.00 0.23 C ATOM 1228 O GLU A 83 13.292 -4.743 7.824 1.00 0.24 O ATOM 1229 CB GLU A 83 14.091 -7.272 6.400 1.00 0.39 C ATOM 1230 CG GLU A 83 15.028 -6.274 5.744 1.00 1.20 C ATOM 1231 CD GLU A 83 15.493 -6.752 4.381 1.00 1.73 C ATOM 1232 OE1 GLU A 83 14.800 -6.489 3.386 1.00 2.59 O ATOM 1233 OE2 GLU A 83 16.540 -7.430 4.306 1.00 1.69 O ATOM 0 H GLU A 83 11.768 -7.027 7.936 1.00 0.22 H new ATOM 0 HA GLU A 83 14.637 -7.625 8.430 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.490 -8.274 6.239 1.00 0.39 H new ATOM 0 HB3 GLU A 83 13.129 -7.226 5.889 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.522 -5.314 5.640 1.00 1.20 H new ATOM 0 HG3 GLU A 83 15.893 -6.110 6.387 1.00 1.20 H new ATOM 1240 N PRO A 84 14.764 -5.402 9.410 1.00 0.23 N ATOM 1241 CA PRO A 84 14.863 -4.107 10.092 1.00 0.21 C ATOM 1242 C PRO A 84 15.494 -3.024 9.234 1.00 0.19 C ATOM 1243 O PRO A 84 15.398 -1.838 9.557 1.00 0.20 O ATOM 1244 CB PRO A 84 15.753 -4.393 11.310 1.00 0.25 C ATOM 1245 CG PRO A 84 15.816 -5.878 11.417 1.00 0.50 C ATOM 1246 CD PRO A 84 15.659 -6.397 10.021 1.00 0.31 C ATOM 0 HA PRO A 84 13.873 -3.727 10.344 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.747 -3.966 11.178 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.334 -3.952 12.214 1.00 0.25 H new ATOM 0 HG2 PRO A 84 16.764 -6.199 11.849 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.026 -6.257 12.066 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.615 -6.457 9.500 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.225 -7.397 10.006 1.00 0.31 H new ATOM 1254 N GLU A 85 16.111 -3.423 8.136 1.00 0.20 N ATOM 1255 CA GLU A 85 16.804 -2.477 7.286 1.00 0.22 C ATOM 1256 C GLU A 85 16.952 -3.025 5.887 1.00 0.24 C ATOM 1257 O GLU A 85 17.792 -3.881 5.606 1.00 0.35 O ATOM 1258 CB GLU A 85 18.182 -2.122 7.857 1.00 0.31 C ATOM 1259 CG GLU A 85 18.761 -0.835 7.289 1.00 0.34 C ATOM 1260 CD GLU A 85 18.137 0.387 7.908 1.00 0.90 C ATOM 1261 OE1 GLU A 85 16.918 0.603 7.727 1.00 1.37 O ATOM 1262 OE2 GLU A 85 18.859 1.124 8.596 1.00 1.30 O ATOM 0 H GLU A 85 16.145 -4.391 7.815 1.00 0.20 H new ATOM 0 HA GLU A 85 16.204 -1.568 7.248 1.00 0.22 H new ATOM 0 HB2 GLU A 85 18.105 -2.029 8.940 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.872 -2.941 7.656 1.00 0.31 H new ATOM 0 HG2 GLU A 85 19.838 -0.817 7.458 1.00 0.34 H new ATOM 0 HG3 GLU A 85 18.607 -0.814 6.210 1.00 0.34 H new ATOM 1269 N LEU A 86 16.102 -2.531 5.032 1.00 0.23 N ATOM 1270 CA LEU A 86 16.140 -2.830 3.633 1.00 0.24 C ATOM 1271 C LEU A 86 16.411 -1.549 2.871 1.00 0.23 C ATOM 1272 O LEU A 86 15.552 -0.670 2.787 1.00 0.25 O ATOM 1273 CB LEU A 86 14.812 -3.434 3.207 1.00 0.26 C ATOM 1274 CG LEU A 86 14.613 -3.560 1.705 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.723 -4.388 1.069 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.255 -4.173 1.409 1.00 0.38 C ATOM 0 H LEU A 86 15.349 -1.896 5.296 1.00 0.23 H new ATOM 0 HA LEU A 86 16.930 -3.550 3.420 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.721 -4.424 3.654 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.006 -2.824 3.615 1.00 0.26 H new ATOM 0 HG LEU A 86 14.653 -2.561 1.271 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.553 -4.460 -0.005 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.685 -3.909 1.253 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.726 -5.387 1.504 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.122 -4.259 0.331 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.196 -5.163 1.862 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.471 -3.538 1.822 1.00 0.38 H new ATOM 1288 N VAL A 87 17.620 -1.420 2.361 1.00 0.24 N ATOM 1289 CA VAL A 87 17.989 -0.253 1.590 1.00 0.22 C ATOM 1290 C VAL A 87 17.963 -0.603 0.102 1.00 0.21 C ATOM 1291 O VAL A 87 18.485 -1.643 -0.314 1.00 0.28 O ATOM 1292 CB VAL A 87 19.377 0.290 2.011 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.500 -0.637 1.581 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.596 1.688 1.462 1.00 0.94 C ATOM 0 H VAL A 87 18.363 -2.111 2.468 1.00 0.24 H new ATOM 0 HA VAL A 87 17.267 0.540 1.785 1.00 0.22 H new ATOM 0 HB VAL A 87 19.392 0.338 3.100 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.457 -0.220 1.895 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.361 -1.615 2.042 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.489 -0.743 0.496 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.577 2.050 1.770 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.543 1.664 0.374 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.825 2.355 1.848 1.00 0.94 H new ATOM 1304 N PHE A 88 17.328 0.242 -0.693 1.00 0.17 N ATOM 1305 CA PHE A 88 17.142 -0.051 -2.111 1.00 0.19 C ATOM 1306 C PHE A 88 17.000 1.226 -2.910 1.00 0.20 C ATOM 1307 O PHE A 88 16.616 2.266 -2.375 1.00 0.23 O ATOM 1308 CB PHE A 88 15.906 -0.928 -2.325 1.00 0.21 C ATOM 1309 CG PHE A 88 14.610 -0.245 -1.988 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.183 -0.152 -0.674 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.814 0.287 -2.990 1.00 0.17 C ATOM 1312 CE1 PHE A 88 12.988 0.466 -0.366 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.617 0.901 -2.689 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.202 0.990 -1.377 1.00 0.15 C ATOM 0 H PHE A 88 16.934 1.132 -0.387 1.00 0.17 H new ATOM 0 HA PHE A 88 18.025 -0.589 -2.457 1.00 0.19 H new ATOM 0 HB2 PHE A 88 15.876 -1.249 -3.366 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.001 -1.827 -1.716 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.790 -0.567 0.117 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.135 0.220 -4.019 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.667 0.540 0.662 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.006 1.311 -3.479 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.264 1.469 -1.139 1.00 0.15 H new ATOM 1324 N THR A 89 17.313 1.138 -4.189 1.00 0.23 N ATOM 1325 CA THR A 89 17.147 2.252 -5.092 1.00 0.25 C ATOM 1326 C THR A 89 15.669 2.426 -5.426 1.00 0.21 C ATOM 1327 O THR A 89 15.057 1.558 -6.053 1.00 0.22 O ATOM 1328 CB THR A 89 17.946 2.024 -6.387 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.246 1.506 -6.069 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.096 3.320 -7.172 1.00 0.37 C ATOM 0 H THR A 89 17.687 0.296 -4.626 1.00 0.23 H new ATOM 0 HA THR A 89 17.521 3.153 -4.606 1.00 0.25 H new ATOM 0 HB THR A 89 17.401 1.307 -7.002 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.751 1.360 -6.896 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.665 3.130 -8.082 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.110 3.703 -7.433 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.621 4.056 -6.563 1.00 0.37 H new ATOM 1338 N LEU A 90 15.091 3.521 -4.954 1.00 0.19 N ATOM 1339 CA LEU A 90 13.702 3.837 -5.242 1.00 0.16 C ATOM 1340 C LEU A 90 13.495 3.979 -6.746 1.00 0.15 C ATOM 1341 O LEU A 90 14.330 4.556 -7.433 1.00 0.18 O ATOM 1342 CB LEU A 90 13.318 5.141 -4.546 1.00 0.16 C ATOM 1343 CG LEU A 90 11.822 5.391 -4.444 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.144 4.206 -3.783 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.553 6.670 -3.665 1.00 0.60 C ATOM 0 H LEU A 90 15.566 4.207 -4.368 1.00 0.19 H new ATOM 0 HA LEU A 90 13.071 3.028 -4.873 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.741 5.139 -3.542 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.775 5.972 -5.083 1.00 0.16 H new ATOM 0 HG LEU A 90 11.412 5.511 -5.447 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.072 4.392 -3.713 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.319 3.309 -4.377 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.553 4.064 -2.783 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.478 6.837 -3.600 1.00 0.60 H new ATOM 0 HD22 LEU A 90 11.968 6.579 -2.661 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.020 7.512 -4.175 1.00 0.60 H new ATOM 1357 N GLY A 91 12.402 3.432 -7.256 1.00 0.20 N ATOM 1358 CA GLY A 91 12.085 3.579 -8.663 1.00 0.23 C ATOM 1359 C GLY A 91 12.911 2.657 -9.537 1.00 0.26 C ATOM 1360 O GLY A 91 12.842 2.717 -10.765 1.00 0.37 O ATOM 0 H GLY A 91 11.727 2.887 -6.720 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.026 3.372 -8.818 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.255 4.612 -8.966 1.00 0.23 H new ATOM 1364 N ASP A 92 13.683 1.793 -8.898 1.00 0.27 N ATOM 1365 CA ASP A 92 14.565 0.881 -9.610 1.00 0.32 C ATOM 1366 C ASP A 92 13.968 -0.510 -9.628 1.00 0.30 C ATOM 1367 O ASP A 92 14.477 -1.410 -10.300 1.00 0.37 O ATOM 1368 CB ASP A 92 15.950 0.885 -8.953 1.00 0.42 C ATOM 1369 CG ASP A 92 16.919 -0.092 -9.580 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.411 0.176 -10.695 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.195 -1.136 -8.957 1.00 0.82 O ATOM 0 H ASP A 92 13.717 1.704 -7.882 1.00 0.27 H new ATOM 0 HA ASP A 92 14.676 1.211 -10.643 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.369 1.889 -9.014 1.00 0.42 H new ATOM 0 HB3 ASP A 92 15.842 0.648 -7.895 1.00 0.42 H new ATOM 1376 N CYS A 93 12.854 -0.664 -8.917 1.00 0.28 N ATOM 1377 CA CYS A 93 12.198 -1.953 -8.782 1.00 0.27 C ATOM 1378 C CYS A 93 13.159 -2.934 -8.134 1.00 0.26 C ATOM 1379 O CYS A 93 13.138 -4.127 -8.428 1.00 0.31 O ATOM 1380 CB CYS A 93 11.749 -2.494 -10.146 1.00 0.38 C ATOM 1381 SG CYS A 93 10.738 -1.349 -11.116 1.00 0.62 S ATOM 0 H CYS A 93 12.387 0.097 -8.424 1.00 0.28 H new ATOM 0 HA CYS A 93 11.311 -1.828 -8.160 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.633 -2.758 -10.726 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.184 -3.413 -9.989 1.00 0.38 H new ATOM 0 HG CYS A 93 9.849 -0.795 -10.346 1.00 0.62 H new ATOM 1387 N ASP A 94 14.011 -2.421 -7.247 1.00 0.27 N ATOM 1388 CA ASP A 94 14.988 -3.259 -6.566 1.00 0.33 C ATOM 1389 C ASP A 94 14.259 -4.163 -5.589 1.00 0.33 C ATOM 1390 O ASP A 94 14.769 -5.184 -5.128 1.00 0.48 O ATOM 1391 CB ASP A 94 16.020 -2.400 -5.831 1.00 0.41 C ATOM 1392 CG ASP A 94 17.160 -3.221 -5.259 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.164 -3.422 -5.973 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.066 -3.661 -4.095 1.00 1.33 O ATOM 0 H ASP A 94 14.042 -1.435 -6.987 1.00 0.27 H new ATOM 0 HA ASP A 94 15.521 -3.864 -7.300 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.422 -1.655 -6.517 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.527 -1.857 -5.024 1.00 0.41 H new ATOM 1399 N VAL A 95 13.031 -3.769 -5.324 1.00 0.23 N ATOM 1400 CA VAL A 95 12.161 -4.436 -4.379 1.00 0.21 C ATOM 1401 C VAL A 95 10.885 -4.889 -5.068 1.00 0.20 C ATOM 1402 O VAL A 95 10.888 -5.184 -6.261 1.00 0.22 O ATOM 1403 CB VAL A 95 11.801 -3.470 -3.241 1.00 0.20 C ATOM 1404 CG1 VAL A 95 12.997 -3.245 -2.346 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.319 -2.145 -3.821 1.00 0.19 C ATOM 0 H VAL A 95 12.601 -2.958 -5.769 1.00 0.23 H new ATOM 0 HA VAL A 95 12.681 -5.306 -3.978 1.00 0.21 H new ATOM 0 HB VAL A 95 11.001 -3.908 -2.645 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.727 -2.558 -1.544 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.315 -4.196 -1.918 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.813 -2.819 -2.929 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.065 -1.463 -3.009 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.109 -1.706 -4.430 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.438 -2.317 -4.439 1.00 0.19 H new ATOM 1415 N ILE A 96 9.797 -4.942 -4.313 1.00 0.19 N ATOM 1416 CA ILE A 96 8.506 -5.219 -4.875 1.00 0.19 C ATOM 1417 C ILE A 96 7.908 -3.905 -5.318 1.00 0.16 C ATOM 1418 O ILE A 96 8.060 -2.891 -4.629 1.00 0.15 O ATOM 1419 CB ILE A 96 7.580 -5.921 -3.860 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.372 -5.058 -2.608 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.166 -7.270 -3.479 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.416 -5.661 -1.604 1.00 0.29 C ATOM 0 H ILE A 96 9.795 -4.794 -3.304 1.00 0.19 H new ATOM 0 HA ILE A 96 8.614 -5.899 -5.720 1.00 0.19 H new ATOM 0 HB ILE A 96 6.607 -6.069 -4.328 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.336 -4.895 -2.126 1.00 0.25 H new ATOM 0 HG13 ILE A 96 6.998 -4.080 -2.910 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.509 -7.763 -2.762 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.261 -7.890 -4.370 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.149 -7.126 -3.031 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.320 -4.994 -0.747 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.439 -5.798 -2.068 1.00 0.29 H new ATOM 0 HD13 ILE A 96 6.798 -6.626 -1.272 1.00 0.29 H new ATOM 1434 N GLN A 97 7.269 -3.907 -6.467 1.00 0.17 N ATOM 1435 CA GLN A 97 6.775 -2.670 -7.057 1.00 0.17 C ATOM 1436 C GLN A 97 5.802 -1.967 -6.114 1.00 0.16 C ATOM 1437 O GLN A 97 5.691 -0.745 -6.126 1.00 0.16 O ATOM 1438 CB GLN A 97 6.108 -2.927 -8.405 1.00 0.19 C ATOM 1439 CG GLN A 97 6.110 -1.703 -9.307 1.00 0.25 C ATOM 1440 CD GLN A 97 7.471 -1.443 -9.945 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.346 -0.704 -9.263 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 7.745 -1.922 -11.046 1.00 0.32 N flip ATOM 0 H GLN A 97 7.077 -4.746 -7.015 1.00 0.17 H new ATOM 0 HA GLN A 97 7.634 -2.019 -7.220 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.622 -3.745 -8.909 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.080 -3.250 -8.241 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.365 -1.834 -10.092 1.00 0.25 H new ATOM 0 HG3 GLN A 97 5.812 -0.829 -8.727 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.054 -2.484 -11.544 1.00 0.32 H new ATOM 0 HE22 GLN A 97 8.663 -1.757 -11.460 1.00 0.32 H new ATOM 1451 N ALA A 98 5.109 -2.752 -5.293 1.00 0.17 N ATOM 1452 CA ALA A 98 4.230 -2.209 -4.265 1.00 0.18 C ATOM 1453 C ALA A 98 4.989 -1.253 -3.361 1.00 0.17 C ATOM 1454 O ALA A 98 4.552 -0.134 -3.103 1.00 0.20 O ATOM 1455 CB ALA A 98 3.650 -3.334 -3.428 1.00 0.20 C ATOM 0 H ALA A 98 5.141 -3.771 -5.322 1.00 0.17 H new ATOM 0 HA ALA A 98 3.424 -1.667 -4.759 1.00 0.18 H new ATOM 0 HB1 ALA A 98 2.995 -2.918 -2.663 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.079 -4.007 -4.068 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.459 -3.887 -2.951 1.00 0.20 H new ATOM 1461 N LEU A 99 6.145 -1.701 -2.904 1.00 0.17 N ATOM 1462 CA LEU A 99 6.958 -0.917 -1.981 1.00 0.17 C ATOM 1463 C LEU A 99 7.660 0.209 -2.713 1.00 0.15 C ATOM 1464 O LEU A 99 7.808 1.315 -2.192 1.00 0.15 O ATOM 1465 CB LEU A 99 8.006 -1.781 -1.281 1.00 0.19 C ATOM 1466 CG LEU A 99 8.910 -1.011 -0.316 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.077 -0.330 0.755 1.00 0.21 C ATOM 1468 CD2 LEU A 99 9.936 -1.931 0.316 1.00 0.22 C ATOM 0 H LEU A 99 6.545 -2.605 -3.155 1.00 0.17 H new ATOM 0 HA LEU A 99 6.283 -0.506 -1.230 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.499 -2.574 -0.732 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.627 -2.263 -2.036 1.00 0.19 H new ATOM 0 HG LEU A 99 9.444 -0.248 -0.883 1.00 0.18 H new ATOM 0 HD11 LEU A 99 8.733 0.214 1.435 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.381 0.366 0.287 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.518 -1.081 1.313 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.566 -1.360 0.998 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.426 -2.720 0.869 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.555 -2.376 -0.463 1.00 0.22 H new ATOM 1480 N ASP A 100 8.064 -0.083 -3.935 1.00 0.15 N ATOM 1481 CA ASP A 100 8.826 0.847 -4.745 1.00 0.16 C ATOM 1482 C ASP A 100 7.995 2.097 -5.006 1.00 0.15 C ATOM 1483 O ASP A 100 8.522 3.198 -5.138 1.00 0.16 O ATOM 1484 CB ASP A 100 9.232 0.152 -6.051 1.00 0.17 C ATOM 1485 CG ASP A 100 10.075 1.014 -6.968 1.00 0.20 C ATOM 1486 OD1 ASP A 100 11.316 0.988 -6.832 1.00 0.21 O ATOM 1487 OD2 ASP A 100 9.506 1.680 -7.856 1.00 0.26 O ATOM 0 H ASP A 100 7.872 -0.973 -4.394 1.00 0.15 H new ATOM 0 HA ASP A 100 9.732 1.155 -4.224 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.786 -0.756 -5.811 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.332 -0.155 -6.583 1.00 0.17 H new ATOM 1492 N LEU A 101 6.685 1.907 -5.061 1.00 0.16 N ATOM 1493 CA LEU A 101 5.747 3.002 -5.219 1.00 0.16 C ATOM 1494 C LEU A 101 5.280 3.567 -3.872 1.00 0.15 C ATOM 1495 O LEU A 101 4.991 4.763 -3.755 1.00 0.16 O ATOM 1496 CB LEU A 101 4.553 2.516 -6.024 1.00 0.19 C ATOM 1497 CG LEU A 101 4.888 2.000 -7.424 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.625 1.544 -8.134 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.618 3.070 -8.232 1.00 0.25 C ATOM 0 H LEU A 101 6.245 0.989 -4.997 1.00 0.16 H new ATOM 0 HA LEU A 101 6.255 3.811 -5.743 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.058 1.720 -5.468 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.838 3.333 -6.115 1.00 0.19 H new ATOM 0 HG LEU A 101 5.553 1.142 -7.330 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.879 1.179 -9.129 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.155 0.743 -7.563 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.933 2.382 -8.220 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.847 2.683 -9.225 1.00 0.25 H new ATOM 0 HD22 LEU A 101 4.984 3.952 -8.324 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.544 3.340 -7.725 1.00 0.25 H new ATOM 1511 N SER A 102 5.202 2.709 -2.859 1.00 0.15 N ATOM 1512 CA SER A 102 4.706 3.102 -1.548 1.00 0.17 C ATOM 1513 C SER A 102 5.615 4.147 -0.912 1.00 0.15 C ATOM 1514 O SER A 102 5.150 5.061 -0.237 1.00 0.18 O ATOM 1515 CB SER A 102 4.608 1.883 -0.627 1.00 0.23 C ATOM 1516 OG SER A 102 4.167 2.246 0.668 1.00 1.01 O ATOM 0 H SER A 102 5.479 1.730 -2.924 1.00 0.15 H new ATOM 0 HA SER A 102 3.714 3.534 -1.682 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.919 1.155 -1.057 1.00 0.23 H new ATOM 0 HB3 SER A 102 5.582 1.398 -0.558 1.00 0.23 H new ATOM 0 HG SER A 102 4.767 1.859 1.339 1.00 1.01 H new ATOM 1522 N VAL A 103 6.910 3.998 -1.141 1.00 0.15 N ATOM 1523 CA VAL A 103 7.906 4.884 -0.549 1.00 0.16 C ATOM 1524 C VAL A 103 7.762 6.339 -1.006 1.00 0.16 C ATOM 1525 O VAL A 103 7.655 7.227 -0.170 1.00 0.18 O ATOM 1526 CB VAL A 103 9.319 4.390 -0.846 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.365 5.398 -0.388 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.551 3.054 -0.179 1.00 0.19 C ATOM 0 H VAL A 103 7.300 3.267 -1.736 1.00 0.15 H new ATOM 0 HA VAL A 103 7.728 4.862 0.526 1.00 0.16 H new ATOM 0 HB VAL A 103 9.418 4.273 -1.925 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.361 5.017 -0.614 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.212 6.343 -0.909 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.272 5.556 0.686 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.562 2.709 -0.397 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.428 3.159 0.899 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.831 2.328 -0.558 1.00 0.19 H new ATOM 1538 N PRO A 104 7.763 6.621 -2.322 1.00 0.17 N ATOM 1539 CA PRO A 104 7.540 7.979 -2.833 1.00 0.21 C ATOM 1540 C PRO A 104 6.151 8.501 -2.465 1.00 0.19 C ATOM 1541 O PRO A 104 5.909 9.709 -2.462 1.00 0.22 O ATOM 1542 CB PRO A 104 7.693 7.830 -4.354 1.00 0.27 C ATOM 1543 CG PRO A 104 7.501 6.377 -4.616 1.00 0.21 C ATOM 1544 CD PRO A 104 8.018 5.667 -3.406 1.00 0.17 C ATOM 0 HA PRO A 104 8.237 8.701 -2.407 1.00 0.21 H new ATOM 0 HB2 PRO A 104 6.954 8.429 -4.886 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.675 8.166 -4.687 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.449 6.147 -4.783 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.041 6.067 -5.511 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.499 4.723 -3.241 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.079 5.436 -3.498 1.00 0.17 H new ATOM 1552 N LEU A 105 5.244 7.579 -2.160 1.00 0.18 N ATOM 1553 CA LEU A 105 3.925 7.938 -1.657 1.00 0.19 C ATOM 1554 C LEU A 105 3.952 8.173 -0.150 1.00 0.22 C ATOM 1555 O LEU A 105 2.984 8.665 0.434 1.00 0.32 O ATOM 1556 CB LEU A 105 2.930 6.829 -1.971 1.00 0.18 C ATOM 1557 CG LEU A 105 2.416 6.792 -3.407 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.186 5.911 -3.500 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.116 8.194 -3.913 1.00 0.64 C ATOM 0 H LEU A 105 5.400 6.575 -2.253 1.00 0.18 H new ATOM 0 HA LEU A 105 3.621 8.862 -2.148 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.399 5.871 -1.747 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.076 6.931 -1.301 1.00 0.18 H new ATOM 0 HG LEU A 105 3.195 6.369 -4.041 1.00 0.25 H new ATOM 0 HD11 LEU A 105 0.829 5.893 -4.530 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.439 4.898 -3.186 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.405 6.308 -2.852 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.751 8.140 -4.939 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.356 8.654 -3.281 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.025 8.794 -3.882 1.00 0.64 H new ATOM 1571 N MET A 106 5.038 7.776 0.483 1.00 0.20 N ATOM 1572 CA MET A 106 5.197 7.937 1.914 1.00 0.24 C ATOM 1573 C MET A 106 6.201 9.049 2.230 1.00 0.21 C ATOM 1574 O MET A 106 7.051 9.386 1.404 1.00 0.26 O ATOM 1575 CB MET A 106 5.632 6.594 2.519 1.00 0.33 C ATOM 1576 CG MET A 106 7.083 6.523 2.942 1.00 0.53 C ATOM 1577 SD MET A 106 7.667 4.823 3.130 1.00 0.78 S ATOM 1578 CE MET A 106 6.565 4.215 4.402 1.00 0.54 C ATOM 0 H MET A 106 5.833 7.334 0.021 1.00 0.20 H new ATOM 0 HA MET A 106 4.247 8.234 2.358 1.00 0.24 H new ATOM 0 HB2 MET A 106 5.006 6.383 3.386 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.443 5.806 1.790 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.699 7.036 2.203 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.209 7.054 3.886 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.144 3.933 5.281 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.854 4.996 4.671 1.00 0.54 H new ATOM 0 HE3 MET A 106 6.024 3.345 4.030 1.00 0.54 H new ATOM 1588 N ASP A 107 6.084 9.628 3.413 1.00 0.18 N ATOM 1589 CA ASP A 107 6.977 10.703 3.830 1.00 0.18 C ATOM 1590 C ASP A 107 8.139 10.155 4.648 1.00 0.14 C ATOM 1591 O ASP A 107 8.030 9.099 5.280 1.00 0.13 O ATOM 1592 CB ASP A 107 6.216 11.756 4.645 1.00 0.25 C ATOM 1593 CG ASP A 107 5.700 12.904 3.800 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.748 12.701 3.014 1.00 0.92 O ATOM 1595 OD2 ASP A 107 6.242 14.027 3.932 1.00 0.97 O ATOM 0 H ASP A 107 5.379 9.373 4.105 1.00 0.18 H new ATOM 0 HA ASP A 107 7.374 11.174 2.931 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.376 11.279 5.150 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.872 12.150 5.421 1.00 0.25 H new ATOM 1600 N VAL A 108 9.261 10.862 4.622 1.00 0.16 N ATOM 1601 CA VAL A 108 10.420 10.460 5.403 1.00 0.16 C ATOM 1602 C VAL A 108 10.079 10.438 6.885 1.00 0.15 C ATOM 1603 O VAL A 108 9.595 11.427 7.443 1.00 0.19 O ATOM 1604 CB VAL A 108 11.642 11.382 5.143 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.498 11.558 6.390 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.490 10.820 4.011 1.00 0.80 C ATOM 0 H VAL A 108 9.392 11.711 4.072 1.00 0.16 H new ATOM 0 HA VAL A 108 10.695 9.454 5.086 1.00 0.16 H new ATOM 0 HB VAL A 108 11.257 12.363 4.862 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.342 12.210 6.163 1.00 0.68 H new ATOM 0 HG12 VAL A 108 11.898 12.004 7.183 1.00 0.68 H new ATOM 0 HG13 VAL A 108 12.868 10.586 6.717 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.344 11.474 3.837 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.844 9.825 4.281 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.890 10.758 3.103 1.00 0.80 H new ATOM 1616 N GLY A 109 10.328 9.297 7.500 1.00 0.15 N ATOM 1617 CA GLY A 109 10.101 9.148 8.917 1.00 0.17 C ATOM 1618 C GLY A 109 8.721 8.614 9.229 1.00 0.18 C ATOM 1619 O GLY A 109 8.245 8.753 10.356 1.00 0.28 O ATOM 0 H GLY A 109 10.687 8.462 7.037 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.850 8.475 9.333 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.233 10.113 9.406 1.00 0.17 H new ATOM 1623 N GLU A 110 8.064 8.008 8.245 1.00 0.13 N ATOM 1624 CA GLU A 110 6.753 7.444 8.485 1.00 0.13 C ATOM 1625 C GLU A 110 6.810 5.931 8.512 1.00 0.10 C ATOM 1626 O GLU A 110 7.812 5.319 8.137 1.00 0.12 O ATOM 1627 CB GLU A 110 5.722 7.908 7.446 1.00 0.17 C ATOM 1628 CG GLU A 110 5.744 7.185 6.110 1.00 0.20 C ATOM 1629 CD GLU A 110 4.454 7.393 5.325 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.122 8.555 4.997 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.756 6.401 5.046 1.00 0.39 O ATOM 0 H GLU A 110 8.415 7.899 7.293 1.00 0.13 H new ATOM 0 HA GLU A 110 6.431 7.808 9.461 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.727 7.799 7.878 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.875 8.971 7.263 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.589 7.540 5.520 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.898 6.119 6.277 1.00 0.20 H new ATOM 1638 N THR A 111 5.730 5.338 8.979 1.00 0.10 N ATOM 1639 CA THR A 111 5.573 3.910 8.963 1.00 0.11 C ATOM 1640 C THR A 111 4.217 3.596 8.366 1.00 0.11 C ATOM 1641 O THR A 111 3.185 4.016 8.892 1.00 0.12 O ATOM 1642 CB THR A 111 5.685 3.315 10.380 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.794 3.913 11.062 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.878 1.804 10.329 1.00 0.19 C ATOM 0 H THR A 111 4.938 5.840 9.380 1.00 0.10 H new ATOM 0 HA THR A 111 6.368 3.464 8.365 1.00 0.11 H new ATOM 0 HB THR A 111 4.758 3.525 10.914 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.865 3.536 11.964 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.954 1.412 11.343 1.00 0.19 H new ATOM 0 HG22 THR A 111 5.027 1.345 9.826 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.792 1.572 9.781 1.00 0.19 H new ATOM 1652 N ALA A 112 4.217 2.907 7.245 1.00 0.12 N ATOM 1653 CA ALA A 112 2.985 2.628 6.551 1.00 0.13 C ATOM 1654 C ALA A 112 2.743 1.144 6.470 1.00 0.12 C ATOM 1655 O ALA A 112 3.662 0.363 6.242 1.00 0.13 O ATOM 1656 CB ALA A 112 3.009 3.241 5.162 1.00 0.18 C ATOM 0 H ALA A 112 5.054 2.532 6.799 1.00 0.12 H new ATOM 0 HA ALA A 112 2.166 3.076 7.113 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.072 3.021 4.651 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.134 4.321 5.243 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.839 2.822 4.593 1.00 0.18 H new ATOM 1662 N MET A 113 1.507 0.758 6.673 1.00 0.12 N ATOM 1663 CA MET A 113 1.122 -0.618 6.472 1.00 0.12 C ATOM 1664 C MET A 113 0.456 -0.699 5.120 1.00 0.12 C ATOM 1665 O MET A 113 -0.555 -0.042 4.885 1.00 0.14 O ATOM 1666 CB MET A 113 0.177 -1.101 7.579 1.00 0.16 C ATOM 1667 CG MET A 113 -0.435 -2.470 7.313 1.00 0.25 C ATOM 1668 SD MET A 113 -1.118 -3.236 8.799 1.00 0.53 S ATOM 1669 CE MET A 113 -2.449 -2.104 9.182 1.00 1.32 C ATOM 0 H MET A 113 0.753 1.374 6.976 1.00 0.12 H new ATOM 0 HA MET A 113 1.998 -1.266 6.510 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.724 -1.135 8.521 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.625 -0.373 7.702 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.223 -2.371 6.566 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.325 -3.126 6.889 1.00 0.25 H new ATOM 0 HE1 MET A 113 -3.001 -2.471 10.047 1.00 1.32 H new ATOM 0 HE2 MET A 113 -2.037 -1.120 9.406 1.00 1.32 H new ATOM 0 HE3 MET A 113 -3.121 -2.030 8.327 1.00 1.32 H new ATOM 1679 N VAL A 114 1.048 -1.457 4.226 1.00 0.12 N ATOM 1680 CA VAL A 114 0.569 -1.524 2.861 1.00 0.12 C ATOM 1681 C VAL A 114 0.062 -2.907 2.568 1.00 0.13 C ATOM 1682 O VAL A 114 0.742 -3.896 2.855 1.00 0.16 O ATOM 1683 CB VAL A 114 1.693 -1.198 1.866 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.164 -0.957 0.461 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.492 -0.017 2.359 1.00 0.17 C ATOM 0 H VAL A 114 1.864 -2.038 4.418 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.232 -0.793 2.751 1.00 0.12 H new ATOM 0 HB VAL A 114 2.348 -2.067 1.806 1.00 0.15 H new ATOM 0 HG11 VAL A 114 1.995 -0.730 -0.207 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.648 -1.850 0.108 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.469 -0.118 0.473 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.287 0.207 1.647 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.838 0.849 2.457 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.929 -0.253 3.329 1.00 0.17 H new ATOM 1695 N THR A 115 -1.120 -2.993 2.009 1.00 0.14 N ATOM 1696 CA THR A 115 -1.611 -4.261 1.579 1.00 0.14 C ATOM 1697 C THR A 115 -1.574 -4.307 0.069 1.00 0.13 C ATOM 1698 O THR A 115 -2.270 -3.554 -0.618 1.00 0.16 O ATOM 1699 CB THR A 115 -3.022 -4.557 2.105 1.00 0.17 C ATOM 1700 OG1 THR A 115 -3.024 -4.517 3.533 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.472 -5.927 1.654 1.00 0.20 C ATOM 0 H THR A 115 -1.747 -2.205 1.846 1.00 0.14 H new ATOM 0 HA THR A 115 -0.968 -5.038 1.993 1.00 0.14 H new ATOM 0 HB THR A 115 -3.704 -3.803 1.711 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.606 -3.790 3.839 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.474 -6.124 2.034 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.483 -5.966 0.565 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.784 -6.680 2.037 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.724 -5.169 -0.421 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.509 -5.332 -1.842 1.00 0.13 C ATOM 1711 C ALA A 116 -0.731 -6.772 -2.218 1.00 0.12 C ATOM 1712 O ALA A 116 -0.280 -7.671 -1.509 1.00 0.13 O ATOM 1713 CB ALA A 116 0.898 -4.912 -2.205 1.00 0.15 C ATOM 0 H ALA A 116 -0.153 -5.786 0.157 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.212 -4.704 -2.388 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.050 -5.038 -3.277 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.046 -3.865 -1.938 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.614 -5.529 -1.662 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.437 -7.003 -3.312 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.569 -8.356 -3.825 1.00 0.13 C ATOM 1721 C ASP A 117 -0.184 -8.948 -4.006 1.00 0.11 C ATOM 1722 O ASP A 117 0.773 -8.219 -4.279 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.297 -8.384 -5.161 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.734 -9.796 -5.545 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.878 -10.595 -5.960 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.947 -10.104 -5.428 1.00 0.58 O ATOM 0 H ASP A 117 -1.920 -6.286 -3.854 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.152 -8.936 -3.110 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.171 -7.735 -5.111 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.646 -7.982 -5.937 1.00 0.16 H new ATOM 1731 N SER A 118 -0.075 -10.252 -3.862 1.00 0.13 N ATOM 1732 CA SER A 118 1.199 -10.928 -3.998 1.00 0.16 C ATOM 1733 C SER A 118 1.808 -10.628 -5.367 1.00 0.13 C ATOM 1734 O SER A 118 3.014 -10.617 -5.532 1.00 0.15 O ATOM 1735 CB SER A 118 1.016 -12.429 -3.810 1.00 0.27 C ATOM 1736 OG SER A 118 2.222 -13.060 -3.423 1.00 0.82 O ATOM 0 H SER A 118 -0.859 -10.869 -3.649 1.00 0.13 H new ATOM 0 HA SER A 118 1.880 -10.563 -3.229 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.252 -12.610 -3.054 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.656 -12.871 -4.739 1.00 0.27 H new ATOM 0 HG SER A 118 2.055 -14.012 -3.260 1.00 0.82 H new ATOM 1742 N LYS A 119 0.968 -10.362 -6.348 1.00 0.13 N ATOM 1743 CA LYS A 119 1.441 -9.969 -7.670 1.00 0.14 C ATOM 1744 C LYS A 119 2.349 -8.728 -7.606 1.00 0.14 C ATOM 1745 O LYS A 119 3.276 -8.591 -8.404 1.00 0.18 O ATOM 1746 CB LYS A 119 0.252 -9.716 -8.589 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.755 -8.753 -8.018 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.885 -8.476 -8.997 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.806 -9.675 -9.171 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.859 -9.429 -10.195 1.00 0.81 N ATOM 0 H LYS A 119 -0.047 -10.410 -6.259 1.00 0.13 H new ATOM 0 HA LYS A 119 2.040 -10.787 -8.072 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.615 -9.328 -9.541 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.243 -10.664 -8.799 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.165 -9.161 -7.094 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.259 -7.817 -7.761 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.466 -7.623 -8.646 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.465 -8.200 -9.964 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.217 -10.545 -9.460 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.277 -9.911 -8.217 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.588 -10.168 -10.128 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.293 -8.499 -10.030 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.432 -9.448 -11.143 1.00 0.81 H new ATOM 1764 N TYR A 120 2.091 -7.834 -6.649 1.00 0.13 N ATOM 1765 CA TYR A 120 2.942 -6.668 -6.446 1.00 0.15 C ATOM 1766 C TYR A 120 3.969 -6.968 -5.374 1.00 0.15 C ATOM 1767 O TYR A 120 4.756 -6.108 -4.985 1.00 0.19 O ATOM 1768 CB TYR A 120 2.115 -5.440 -6.045 1.00 0.16 C ATOM 1769 CG TYR A 120 1.103 -5.029 -7.071 1.00 0.20 C ATOM 1770 CD1 TYR A 120 -0.162 -5.584 -7.073 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.411 -4.079 -8.030 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -1.100 -5.201 -8.010 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.484 -3.683 -8.971 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.766 -4.289 -8.984 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.718 -3.863 -9.888 1.00 0.42 O ATOM 0 H TYR A 120 1.302 -7.898 -6.006 1.00 0.13 H new ATOM 0 HA TYR A 120 3.446 -6.444 -7.386 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.602 -5.650 -5.107 1.00 0.16 H new ATOM 0 HB3 TYR A 120 2.790 -4.604 -5.859 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.420 -6.327 -6.332 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.397 -3.639 -8.041 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -2.096 -5.617 -7.979 1.00 0.30 H new ATOM 0 HE2 TYR A 120 0.726 -2.912 -9.688 1.00 0.34 H new ATOM 0 HH TYR A 120 -2.480 -3.481 -9.405 1.00 0.42 H new ATOM 1785 N CYS A 121 3.953 -8.205 -4.915 1.00 0.14 N ATOM 1786 CA CYS A 121 4.840 -8.649 -3.867 1.00 0.15 C ATOM 1787 C CYS A 121 5.665 -9.842 -4.336 1.00 0.16 C ATOM 1788 O CYS A 121 6.713 -9.659 -4.950 1.00 0.18 O ATOM 1789 CB CYS A 121 4.033 -8.999 -2.627 1.00 0.14 C ATOM 1790 SG CYS A 121 3.031 -7.640 -1.999 1.00 0.16 S ATOM 0 H CYS A 121 3.322 -8.928 -5.261 1.00 0.14 H new ATOM 0 HA CYS A 121 5.530 -7.843 -3.618 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.381 -9.842 -2.856 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.715 -9.327 -1.843 1.00 0.14 H new ATOM 0 HG CYS A 121 1.957 -7.522 -2.722 1.00 0.16 H new ATOM 1796 N TYR A 122 5.193 -11.069 -4.081 1.00 0.16 N ATOM 1797 CA TYR A 122 5.912 -12.257 -4.534 1.00 0.18 C ATOM 1798 C TYR A 122 4.959 -13.364 -5.010 1.00 0.18 C ATOM 1799 O TYR A 122 5.217 -14.525 -4.738 1.00 0.20 O ATOM 1800 CB TYR A 122 6.799 -12.825 -3.413 1.00 0.19 C ATOM 1801 CG TYR A 122 7.533 -11.786 -2.590 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.772 -11.301 -2.995 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.994 -11.295 -1.406 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.445 -10.356 -2.245 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.663 -10.355 -0.657 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.886 -9.889 -1.077 1.00 0.22 C ATOM 1807 OH TYR A 122 9.550 -8.954 -0.324 1.00 0.24 O ATOM 0 H TYR A 122 4.330 -11.260 -3.572 1.00 0.16 H new ATOM 0 HA TYR A 122 6.529 -11.938 -5.374 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.178 -13.423 -2.746 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.531 -13.500 -3.856 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.214 -11.669 -3.909 1.00 0.21 H new ATOM 0 HD2 TYR A 122 6.034 -11.658 -1.069 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.405 -9.986 -2.573 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.228 -9.984 0.259 1.00 0.20 H new ATOM 0 HH TYR A 122 9.016 -8.732 0.467 1.00 0.24 H new ATOM 1817 N GLY A 123 3.878 -13.004 -5.718 1.00 0.19 N ATOM 1818 CA GLY A 123 2.929 -13.993 -6.226 1.00 0.21 C ATOM 1819 C GLY A 123 3.579 -15.167 -6.940 1.00 0.21 C ATOM 1820 O GLY A 123 3.857 -16.194 -6.322 1.00 0.25 O ATOM 0 H GLY A 123 3.644 -12.038 -5.949 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.335 -14.371 -5.394 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.240 -13.501 -6.912 1.00 0.21 H new ATOM 1824 N PRO A 124 3.811 -15.062 -8.254 1.00 0.25 N ATOM 1825 CA PRO A 124 4.500 -16.112 -9.007 1.00 0.30 C ATOM 1826 C PRO A 124 6.010 -16.031 -8.821 1.00 0.30 C ATOM 1827 O PRO A 124 6.778 -16.702 -9.512 1.00 0.34 O ATOM 1828 CB PRO A 124 4.115 -15.805 -10.453 1.00 0.37 C ATOM 1829 CG PRO A 124 3.920 -14.327 -10.484 1.00 0.58 C ATOM 1830 CD PRO A 124 3.410 -13.934 -9.121 1.00 0.32 C ATOM 0 HA PRO A 124 4.222 -17.116 -8.686 1.00 0.30 H new ATOM 0 HB2 PRO A 124 4.896 -16.116 -11.146 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.205 -16.331 -10.741 1.00 0.37 H new ATOM 0 HG2 PRO A 124 4.856 -13.817 -10.710 1.00 0.58 H new ATOM 0 HG3 PRO A 124 3.209 -14.046 -11.260 1.00 0.58 H new ATOM 0 HD2 PRO A 124 3.850 -12.995 -8.785 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.329 -13.796 -9.123 1.00 0.32 H new ATOM 1838 N GLN A 125 6.426 -15.205 -7.871 1.00 0.27 N ATOM 1839 CA GLN A 125 7.830 -14.921 -7.660 1.00 0.30 C ATOM 1840 C GLN A 125 8.335 -15.680 -6.443 1.00 0.32 C ATOM 1841 O GLN A 125 9.358 -16.369 -6.489 1.00 0.39 O ATOM 1842 CB GLN A 125 8.015 -13.420 -7.452 1.00 0.30 C ATOM 1843 CG GLN A 125 7.340 -12.578 -8.522 1.00 0.33 C ATOM 1844 CD GLN A 125 7.328 -11.105 -8.177 1.00 0.35 C ATOM 1845 OE1 GLN A 125 6.259 -10.670 -7.528 1.00 0.65 O flip ATOM 1846 NE2 GLN A 125 8.255 -10.363 -8.501 1.00 0.29 N flip ATOM 0 H GLN A 125 5.800 -14.717 -7.230 1.00 0.27 H new ATOM 0 HA GLN A 125 8.400 -15.239 -8.533 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.616 -13.143 -6.476 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.081 -13.191 -7.437 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.855 -12.721 -9.472 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.316 -12.924 -8.660 1.00 0.33 H new ATOM 0 HE21 GLN A 125 9.060 -10.741 -9.000 1.00 0.29 H new ATOM 0 HE22 GLN A 125 8.218 -9.370 -8.270 1.00 0.29 H new ATOM 1855 N GLY A 126 7.583 -15.555 -5.360 1.00 0.27 N ATOM 1856 CA GLY A 126 7.988 -16.097 -4.092 1.00 0.27 C ATOM 1857 C GLY A 126 8.954 -15.184 -3.378 1.00 0.28 C ATOM 1858 O GLY A 126 9.761 -14.495 -4.001 1.00 0.30 O ATOM 0 H GLY A 126 6.682 -15.077 -5.345 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.109 -16.257 -3.467 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.453 -17.071 -4.244 1.00 0.27 H new ATOM 1862 N SER A 127 8.846 -15.162 -2.070 1.00 0.27 N ATOM 1863 CA SER A 127 9.691 -14.319 -1.251 1.00 0.28 C ATOM 1864 C SER A 127 10.963 -15.060 -0.835 1.00 0.32 C ATOM 1865 O SER A 127 11.031 -16.288 -0.939 1.00 0.33 O ATOM 1866 CB SER A 127 8.894 -13.824 -0.028 1.00 0.27 C ATOM 1867 OG SER A 127 9.736 -13.277 0.974 1.00 0.30 O ATOM 0 H SER A 127 8.175 -15.723 -1.545 1.00 0.27 H new ATOM 0 HA SER A 127 10.004 -13.452 -1.832 1.00 0.28 H new ATOM 0 HB2 SER A 127 8.174 -13.070 -0.346 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.324 -14.653 0.392 1.00 0.27 H new ATOM 0 HG SER A 127 9.191 -12.974 1.730 1.00 0.30 H new ATOM 1873 N ARG A 128 11.969 -14.290 -0.396 1.00 0.38 N ATOM 1874 CA ARG A 128 13.300 -14.819 -0.081 1.00 0.42 C ATOM 1875 C ARG A 128 13.198 -16.003 0.864 1.00 0.42 C ATOM 1876 O ARG A 128 13.636 -17.107 0.543 1.00 0.52 O ATOM 1877 CB ARG A 128 14.179 -13.739 0.575 1.00 0.52 C ATOM 1878 CG ARG A 128 14.166 -12.401 -0.137 1.00 1.12 C ATOM 1879 CD ARG A 128 15.054 -11.399 0.583 1.00 1.41 C ATOM 1880 NE ARG A 128 14.558 -10.030 0.448 1.00 1.81 N ATOM 1881 CZ ARG A 128 14.822 -9.058 1.333 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.685 -9.272 2.316 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.254 -7.866 1.220 1.00 3.17 N ATOM 0 H ARG A 128 11.881 -13.284 -0.250 1.00 0.38 H new ATOM 0 HA ARG A 128 13.754 -15.137 -1.019 1.00 0.42 H new ATOM 0 HB2 ARG A 128 13.847 -13.593 1.603 1.00 0.52 H new ATOM 0 HB3 ARG A 128 15.206 -14.102 0.621 1.00 0.52 H new ATOM 0 HG2 ARG A 128 14.510 -12.527 -1.164 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.146 -12.020 -0.187 1.00 1.12 H new ATOM 0 HD2 ARG A 128 15.113 -11.661 1.640 1.00 1.41 H new ATOM 0 HD3 ARG A 128 16.066 -11.459 0.183 1.00 1.41 H new ATOM 0 HE ARG A 128 13.981 -9.803 -0.362 1.00 1.81 H new ATOM 0 HH11 ARG A 128 16.149 -10.177 2.400 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.885 -8.532 2.989 1.00 2.45 H new ATOM 0 HH21 ARG A 128 13.608 -7.680 0.453 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.463 -7.135 1.900 1.00 3.17 H new ATOM 1897 N SER A 129 12.605 -15.767 2.026 1.00 0.42 N ATOM 1898 CA SER A 129 12.435 -16.812 3.013 1.00 0.44 C ATOM 1899 C SER A 129 11.273 -17.733 2.622 1.00 0.41 C ATOM 1900 O SER A 129 11.491 -18.926 2.414 1.00 0.44 O ATOM 1901 CB SER A 129 12.248 -16.208 4.409 1.00 0.48 C ATOM 1902 OG SER A 129 13.385 -15.444 4.783 1.00 1.23 O ATOM 0 H SER A 129 12.235 -14.858 2.304 1.00 0.42 H new ATOM 0 HA SER A 129 13.338 -17.422 3.044 1.00 0.44 H new ATOM 0 HB2 SER A 129 11.360 -15.577 4.421 1.00 0.48 H new ATOM 0 HB3 SER A 129 12.084 -17.004 5.136 1.00 0.48 H new ATOM 0 HG SER A 129 13.245 -15.066 5.676 1.00 1.23 H new ATOM 1908 N PRO A 130 10.022 -17.229 2.511 1.00 0.37 N ATOM 1909 CA PRO A 130 8.911 -18.027 2.041 1.00 0.36 C ATOM 1910 C PRO A 130 8.489 -17.666 0.621 1.00 0.32 C ATOM 1911 O PRO A 130 8.184 -16.518 0.336 1.00 0.27 O ATOM 1912 CB PRO A 130 7.795 -17.596 3.015 1.00 0.37 C ATOM 1913 CG PRO A 130 8.269 -16.303 3.635 1.00 0.37 C ATOM 1914 CD PRO A 130 9.521 -15.914 2.893 1.00 0.37 C ATOM 0 HA PRO A 130 9.142 -19.092 2.016 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.850 -17.455 2.490 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.626 -18.357 3.777 1.00 0.37 H new ATOM 0 HG2 PRO A 130 7.508 -15.528 3.547 1.00 0.37 H new ATOM 0 HG3 PRO A 130 8.471 -16.432 4.698 1.00 0.37 H new ATOM 0 HD2 PRO A 130 9.312 -15.283 2.029 1.00 0.37 H new ATOM 0 HD3 PRO A 130 10.224 -15.369 3.523 1.00 0.37 H new ATOM 1922 N TYR A 131 8.450 -18.636 -0.264 1.00 0.33 N ATOM 1923 CA TYR A 131 7.756 -18.473 -1.523 1.00 0.32 C ATOM 1924 C TYR A 131 6.304 -18.110 -1.232 1.00 0.30 C ATOM 1925 O TYR A 131 5.483 -18.967 -0.910 1.00 0.32 O ATOM 1926 CB TYR A 131 7.885 -19.752 -2.368 1.00 0.36 C ATOM 1927 CG TYR A 131 6.742 -20.024 -3.329 1.00 0.45 C ATOM 1928 CD1 TYR A 131 6.495 -19.154 -4.384 1.00 0.78 C ATOM 1929 CD2 TYR A 131 5.910 -21.131 -3.185 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.457 -19.376 -5.266 1.00 0.87 C ATOM 1931 CE2 TYR A 131 4.868 -21.358 -4.069 1.00 1.14 C ATOM 1932 CZ TYR A 131 4.642 -20.574 -5.074 1.00 0.81 C ATOM 1933 OH TYR A 131 3.610 -20.692 -5.989 1.00 1.00 O ATOM 0 H TYR A 131 8.891 -19.547 -0.136 1.00 0.33 H new ATOM 0 HA TYR A 131 8.200 -17.667 -2.107 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.811 -19.695 -2.940 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.979 -20.603 -1.694 1.00 0.36 H new ATOM 0 HD1 TYR A 131 7.127 -18.288 -4.516 1.00 0.78 H new ATOM 0 HD2 TYR A 131 6.079 -21.822 -2.373 1.00 1.00 H new ATOM 0 HE1 TYR A 131 5.253 -18.687 -6.072 1.00 0.87 H new ATOM 0 HE2 TYR A 131 4.226 -22.213 -3.915 1.00 1.14 H new ATOM 0 HH TYR A 131 3.105 -21.512 -5.808 1.00 1.00 H new ATOM 1943 N ILE A 132 6.022 -16.819 -1.264 1.00 0.27 N ATOM 1944 CA ILE A 132 4.692 -16.330 -0.981 1.00 0.26 C ATOM 1945 C ILE A 132 3.732 -16.784 -2.078 1.00 0.25 C ATOM 1946 O ILE A 132 3.978 -16.529 -3.253 1.00 0.25 O ATOM 1947 CB ILE A 132 4.660 -14.787 -0.875 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.695 -14.256 0.118 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.276 -14.322 -0.479 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.688 -14.932 1.457 1.00 0.23 C ATOM 0 H ILE A 132 6.702 -16.091 -1.484 1.00 0.27 H new ATOM 0 HA ILE A 132 4.384 -16.741 -0.020 1.00 0.26 H new ATOM 0 HB ILE A 132 4.913 -14.387 -1.857 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.687 -14.362 -0.321 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.523 -13.190 0.264 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.264 -13.234 -0.407 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.555 -14.644 -1.231 1.00 0.26 H new ATOM 0 HG23 ILE A 132 3.010 -14.752 0.487 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.455 -14.489 2.092 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.711 -14.804 1.924 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.893 -15.995 1.329 1.00 0.23 H new ATOM 1962 N PRO A 133 2.643 -17.486 -1.708 1.00 0.27 N ATOM 1963 CA PRO A 133 1.652 -17.984 -2.670 1.00 0.28 C ATOM 1964 C PRO A 133 1.161 -16.894 -3.618 1.00 0.26 C ATOM 1965 O PRO A 133 0.918 -15.755 -3.197 1.00 0.26 O ATOM 1966 CB PRO A 133 0.503 -18.463 -1.778 1.00 0.34 C ATOM 1967 CG PRO A 133 1.157 -18.822 -0.494 1.00 0.61 C ATOM 1968 CD PRO A 133 2.295 -17.852 -0.324 1.00 0.31 C ATOM 0 HA PRO A 133 2.067 -18.759 -3.315 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.244 -17.682 -1.639 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.010 -19.319 -2.216 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.454 -18.749 0.336 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.520 -19.850 -0.515 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.996 -16.981 0.259 1.00 0.31 H new ATOM 0 HD3 PRO A 133 3.138 -18.309 0.195 1.00 0.31 H new ATOM 1976 N PRO A 134 1.039 -17.211 -4.919 1.00 0.27 N ATOM 1977 CA PRO A 134 0.538 -16.264 -5.903 1.00 0.25 C ATOM 1978 C PRO A 134 -0.828 -15.716 -5.522 1.00 0.27 C ATOM 1979 O PRO A 134 -1.740 -16.469 -5.192 1.00 0.32 O ATOM 1980 CB PRO A 134 0.444 -17.048 -7.213 1.00 0.29 C ATOM 1981 CG PRO A 134 0.794 -18.469 -6.894 1.00 0.52 C ATOM 1982 CD PRO A 134 1.413 -18.500 -5.521 1.00 0.33 C ATOM 0 HA PRO A 134 1.199 -15.401 -5.979 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.560 -16.982 -7.632 1.00 0.29 H new ATOM 0 HB3 PRO A 134 1.127 -16.640 -7.958 1.00 0.29 H new ATOM 0 HG2 PRO A 134 -0.097 -19.097 -6.925 1.00 0.52 H new ATOM 0 HG3 PRO A 134 1.489 -18.865 -7.634 1.00 0.52 H new ATOM 0 HD2 PRO A 134 1.035 -19.337 -4.934 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.496 -18.613 -5.576 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.926 -14.391 -5.540 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.173 -13.669 -5.255 1.00 0.31 C ATOM 1992 C HIS A 135 -2.523 -13.677 -3.770 1.00 0.32 C ATOM 1993 O HIS A 135 -3.642 -13.330 -3.397 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.356 -14.228 -6.058 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.316 -13.897 -7.512 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -4.119 -14.511 -8.439 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -2.572 -13.000 -8.194 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -3.879 -14.004 -9.631 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -2.940 -13.083 -9.511 1.00 2.25 N ATOM 0 H HIS A 135 -0.139 -13.778 -5.754 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.992 -12.639 -5.562 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.379 -15.312 -5.944 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -4.283 -13.843 -5.634 1.00 0.41 H new ATOM 0 HD2 HIS A 135 -1.825 -12.340 -7.778 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -4.367 -14.292 -10.550 1.00 2.38 H new ATOM 0 HE2 HIS A 135 -2.553 -12.526 -10.273 1.00 2.25 H new ATOM 2008 N ALA A 136 -1.581 -14.069 -2.925 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.778 -13.939 -1.492 1.00 0.24 C ATOM 2010 C ALA A 136 -1.585 -12.483 -1.108 1.00 0.21 C ATOM 2011 O ALA A 136 -0.523 -11.912 -1.352 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.820 -14.837 -0.718 1.00 0.26 C ATOM 0 H ALA A 136 -0.687 -14.473 -3.202 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.789 -14.257 -1.236 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -0.993 -14.717 0.352 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -0.989 -15.877 -0.998 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.208 -14.561 -0.953 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.600 -11.873 -0.526 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.548 -10.447 -0.270 1.00 0.19 C ATOM 2020 C ALA A 137 -1.588 -10.165 0.876 1.00 0.16 C ATOM 2021 O ALA A 137 -1.826 -10.552 2.018 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.936 -9.889 0.023 1.00 0.22 C ATOM 0 H ALA A 137 -3.459 -12.335 -0.225 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.181 -9.944 -1.165 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.865 -8.818 0.211 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.587 -10.065 -0.833 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.350 -10.385 0.901 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.496 -9.506 0.553 1.00 0.13 N ATOM 2029 CA LEU A 138 0.549 -9.242 1.511 1.00 0.12 C ATOM 2030 C LEU A 138 0.282 -7.939 2.247 1.00 0.13 C ATOM 2031 O LEU A 138 -0.009 -6.917 1.631 1.00 0.15 O ATOM 2032 CB LEU A 138 1.892 -9.179 0.789 1.00 0.13 C ATOM 2033 CG LEU A 138 2.932 -10.164 1.303 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.343 -11.556 1.379 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.160 -10.150 0.416 1.00 0.19 C ATOM 0 H LEU A 138 -0.310 -9.140 -0.381 1.00 0.13 H new ATOM 0 HA LEU A 138 0.572 -10.047 2.246 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.728 -9.364 -0.273 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.291 -8.169 0.879 1.00 0.13 H new ATOM 0 HG LEU A 138 3.233 -9.861 2.306 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.098 -12.251 1.748 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.489 -11.553 2.057 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.017 -11.868 0.387 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.893 -10.860 0.798 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.879 -10.430 -0.599 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.593 -9.150 0.410 1.00 0.19 H new ATOM 2047 N CYS A 139 0.382 -7.982 3.558 1.00 0.13 N ATOM 2048 CA CYS A 139 0.195 -6.803 4.375 1.00 0.14 C ATOM 2049 C CYS A 139 1.506 -6.501 5.085 1.00 0.13 C ATOM 2050 O CYS A 139 1.851 -7.138 6.079 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.921 -7.038 5.390 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.702 -5.528 6.001 1.00 1.20 S ATOM 0 H CYS A 139 0.594 -8.829 4.085 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.091 -5.956 3.752 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.684 -7.668 4.934 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.515 -7.591 6.237 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.229 -4.879 5.006 1.00 1.20 H new ATOM 2058 N LEU A 140 2.238 -5.546 4.562 1.00 0.13 N ATOM 2059 CA LEU A 140 3.591 -5.286 5.022 1.00 0.14 C ATOM 2060 C LEU A 140 3.712 -3.917 5.668 1.00 0.13 C ATOM 2061 O LEU A 140 3.173 -2.932 5.168 1.00 0.12 O ATOM 2062 CB LEU A 140 4.569 -5.420 3.860 1.00 0.17 C ATOM 2063 CG LEU A 140 4.217 -4.614 2.622 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.150 -3.422 2.495 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.278 -5.487 1.378 1.00 0.32 C ATOM 0 H LEU A 140 1.921 -4.930 3.813 1.00 0.13 H new ATOM 0 HA LEU A 140 3.836 -6.026 5.784 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.558 -5.117 4.202 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.636 -6.472 3.582 1.00 0.17 H new ATOM 0 HG LEU A 140 3.196 -4.245 2.721 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.890 -2.850 1.604 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.051 -2.787 3.376 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.179 -3.772 2.414 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.022 -4.891 0.502 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.285 -5.887 1.263 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.570 -6.310 1.476 1.00 0.32 H new ATOM 2077 N GLU A 141 4.411 -3.868 6.787 1.00 0.14 N ATOM 2078 CA GLU A 141 4.591 -2.638 7.525 1.00 0.13 C ATOM 2079 C GLU A 141 5.991 -2.109 7.247 1.00 0.12 C ATOM 2080 O GLU A 141 6.974 -2.785 7.542 1.00 0.15 O ATOM 2081 CB GLU A 141 4.386 -2.928 9.011 1.00 0.18 C ATOM 2082 CG GLU A 141 4.472 -1.723 9.925 1.00 0.26 C ATOM 2083 CD GLU A 141 4.314 -2.115 11.385 1.00 0.30 C ATOM 2084 OE1 GLU A 141 3.288 -2.736 11.734 1.00 1.00 O ATOM 2085 OE2 GLU A 141 5.225 -1.828 12.183 1.00 1.05 O ATOM 0 H GLU A 141 4.867 -4.678 7.206 1.00 0.14 H new ATOM 0 HA GLU A 141 3.869 -1.881 7.220 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.409 -3.393 9.142 1.00 0.18 H new ATOM 0 HB3 GLU A 141 5.131 -3.657 9.328 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.432 -1.226 9.783 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.698 -1.005 9.655 1.00 0.26 H new ATOM 2092 N VAL A 142 6.082 -0.932 6.640 1.00 0.12 N ATOM 2093 CA VAL A 142 7.370 -0.388 6.227 1.00 0.12 C ATOM 2094 C VAL A 142 7.707 0.927 6.924 1.00 0.12 C ATOM 2095 O VAL A 142 7.004 1.928 6.785 1.00 0.15 O ATOM 2096 CB VAL A 142 7.453 -0.196 4.698 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.686 -1.533 4.020 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.190 0.452 4.154 1.00 0.19 C ATOM 0 H VAL A 142 5.282 -0.337 6.423 1.00 0.12 H new ATOM 0 HA VAL A 142 8.108 -1.131 6.531 1.00 0.12 H new ATOM 0 HB VAL A 142 8.291 0.468 4.485 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.743 -1.389 2.941 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.620 -1.965 4.379 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.862 -2.207 4.253 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.279 0.574 3.075 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.331 -0.181 4.378 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.053 1.428 4.619 1.00 0.19 H new ATOM 2108 N THR A 143 8.780 0.895 7.702 1.00 0.13 N ATOM 2109 CA THR A 143 9.328 2.083 8.340 1.00 0.13 C ATOM 2110 C THR A 143 10.356 2.751 7.435 1.00 0.12 C ATOM 2111 O THR A 143 11.459 2.224 7.246 1.00 0.15 O ATOM 2112 CB THR A 143 10.026 1.712 9.667 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.426 0.526 10.211 1.00 0.28 O ATOM 2114 CG2 THR A 143 9.915 2.848 10.678 1.00 0.22 C ATOM 0 H THR A 143 9.297 0.040 7.909 1.00 0.13 H new ATOM 0 HA THR A 143 8.500 2.765 8.531 1.00 0.13 H new ATOM 0 HB THR A 143 11.082 1.533 9.462 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.871 0.291 11.052 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.414 2.561 11.604 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.387 3.743 10.273 1.00 0.22 H new ATOM 0 HG23 THR A 143 8.864 3.053 10.881 1.00 0.22 H new ATOM 2122 N LEU A 144 10.005 3.904 6.882 1.00 0.13 N ATOM 2123 CA LEU A 144 10.962 4.704 6.130 1.00 0.12 C ATOM 2124 C LEU A 144 11.724 5.575 7.103 1.00 0.12 C ATOM 2125 O LEU A 144 11.249 6.621 7.532 1.00 0.14 O ATOM 2126 CB LEU A 144 10.267 5.573 5.080 1.00 0.14 C ATOM 2127 CG LEU A 144 11.213 6.417 4.227 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.118 5.524 3.386 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.425 7.375 3.352 1.00 0.13 C ATOM 0 H LEU A 144 9.069 4.305 6.939 1.00 0.13 H new ATOM 0 HA LEU A 144 11.642 4.038 5.600 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.683 4.929 4.423 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.564 6.236 5.584 1.00 0.14 H new ATOM 0 HG LEU A 144 11.846 7.007 4.890 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.784 6.144 2.786 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.709 4.885 4.042 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.508 4.904 2.729 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.114 7.969 2.751 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.765 6.809 2.695 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.830 8.037 3.981 1.00 0.13 H new ATOM 2141 N LYS A 145 12.897 5.114 7.468 1.00 0.14 N ATOM 2142 CA LYS A 145 13.634 5.706 8.566 1.00 0.17 C ATOM 2143 C LYS A 145 14.761 6.573 8.048 1.00 0.16 C ATOM 2144 O LYS A 145 15.308 7.404 8.770 1.00 0.21 O ATOM 2145 CB LYS A 145 14.179 4.588 9.449 1.00 0.26 C ATOM 2146 CG LYS A 145 13.190 3.447 9.586 1.00 0.40 C ATOM 2147 CD LYS A 145 13.780 2.230 10.261 1.00 0.60 C ATOM 2148 CE LYS A 145 14.909 1.638 9.445 1.00 0.38 C ATOM 2149 NZ LYS A 145 14.507 1.347 8.046 1.00 1.08 N ATOM 0 H LYS A 145 13.366 4.327 7.020 1.00 0.14 H new ATOM 0 HA LYS A 145 12.969 6.343 9.150 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.111 4.213 9.027 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.414 4.986 10.436 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.326 3.789 10.157 1.00 0.40 H new ATOM 0 HG3 LYS A 145 12.828 3.167 8.597 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.148 2.503 11.250 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.002 1.480 10.407 1.00 0.60 H new ATOM 0 HE2 LYS A 145 15.752 2.329 9.441 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.253 0.719 9.920 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 15.175 0.668 7.627 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 13.549 0.941 8.037 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 14.515 2.227 7.492 1.00 1.08 H new ATOM 2163 N THR A 146 15.123 6.362 6.792 1.00 0.16 N ATOM 2164 CA THR A 146 16.202 7.110 6.182 1.00 0.19 C ATOM 2165 C THR A 146 16.057 7.136 4.673 1.00 0.17 C ATOM 2166 O THR A 146 15.599 6.169 4.066 1.00 0.16 O ATOM 2167 CB THR A 146 17.570 6.483 6.510 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.623 6.102 7.893 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.707 7.447 6.209 1.00 0.37 C ATOM 0 H THR A 146 14.682 5.677 6.178 1.00 0.16 H new ATOM 0 HA THR A 146 16.149 8.122 6.585 1.00 0.19 H new ATOM 0 HB THR A 146 17.688 5.600 5.881 1.00 0.25 H new ATOM 0 HG1 THR A 146 17.251 5.201 7.999 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.659 6.974 6.451 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.691 7.709 5.151 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.587 8.349 6.808 1.00 0.37 H new ATOM 2177 N ALA A 147 16.450 8.243 4.076 1.00 0.20 N ATOM 2178 CA ALA A 147 16.590 8.328 2.640 1.00 0.19 C ATOM 2179 C ALA A 147 17.910 8.989 2.322 1.00 0.22 C ATOM 2180 O ALA A 147 18.196 10.070 2.838 1.00 0.25 O ATOM 2181 CB ALA A 147 15.440 9.122 2.039 1.00 0.21 C ATOM 0 H ALA A 147 16.680 9.104 4.572 1.00 0.20 H new ATOM 0 HA ALA A 147 16.566 7.327 2.209 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.561 9.176 0.957 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.496 8.630 2.274 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.437 10.130 2.455 1.00 0.21 H new ATOM 2187 N VAL A 148 18.724 8.360 1.490 1.00 0.24 N ATOM 2188 CA VAL A 148 20.024 8.924 1.174 1.00 0.31 C ATOM 2189 C VAL A 148 20.247 8.932 -0.324 1.00 0.34 C ATOM 2190 O VAL A 148 19.908 7.978 -1.027 1.00 0.36 O ATOM 2191 CB VAL A 148 21.185 8.187 1.891 1.00 0.42 C ATOM 2192 CG1 VAL A 148 20.971 8.189 3.398 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.353 6.768 1.382 1.00 0.75 C ATOM 0 H VAL A 148 18.513 7.475 1.029 1.00 0.24 H new ATOM 0 HA VAL A 148 20.023 9.950 1.543 1.00 0.31 H new ATOM 0 HB VAL A 148 22.103 8.728 1.664 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.796 7.667 3.883 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.930 9.217 3.758 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.034 7.684 3.633 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.176 6.287 1.910 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.434 6.208 1.556 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.569 6.788 0.314 1.00 0.75 H new