USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 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 115 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= 0.512 K(o=0.51,f=-0.98) USER MOD Set 2.1: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 80:sc= 0.808 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -75:sc= 0.946 USER MOD Single : A 59 ASN : amide:sc= -2.6! C(o=-2.6!,f=-2.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 CYS SG : rot 77:sc= 0.23 USER MOD Single : A 74 SER OG : rot -13:sc= 0.484 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.85 K(o=-1.8,f=-7!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -2.4! C(o=-2.4!,f=-3.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -168:sc= -0.0325 (180deg=-0.184) USER MOD Single : A 99 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 101 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.84) USER MOD Single : A 104 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.48) USER MOD Single : A 106 SER OG : rot -36:sc= 0.918 USER MOD Single : A 107 SER OG : rot 180:sc= -0.207 USER MOD Single : A 120 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.7!) USER MOD Single : A 121 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.71) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 71:sc= -0.509 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 130 SER OG : rot -79:sc= 0.89 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -7.785 -11.957 -10.970 1.00 52.33 N ATOM 529 CA LYS A 36 -7.245 -10.922 -11.863 1.00 53.43 C ATOM 530 C LYS A 36 -6.059 -10.191 -11.207 1.00 52.13 C ATOM 531 O LYS A 36 -5.147 -9.719 -11.889 1.00 5.25 O ATOM 532 CB LYS A 36 -8.376 -9.934 -12.227 1.00 31.33 C ATOM 533 CG LYS A 36 -8.023 -8.878 -13.284 1.00 73.41 C ATOM 534 CD LYS A 36 -7.381 -7.624 -12.683 1.00 51.51 C ATOM 535 CE LYS A 36 -7.169 -6.544 -13.740 1.00 13.10 C ATOM 536 NZ LYS A 36 -6.548 -5.314 -13.175 1.00 73.41 N ATOM 0 HA LYS A 36 -6.870 -11.390 -12.773 1.00 53.43 H new ATOM 0 HB2 LYS A 36 -9.232 -10.506 -12.584 1.00 31.33 H new ATOM 0 HB3 LYS A 36 -8.691 -9.421 -11.319 1.00 31.33 H new ATOM 0 HG2 LYS A 36 -7.341 -9.315 -14.013 1.00 73.41 H new ATOM 0 HG3 LYS A 36 -8.927 -8.594 -13.823 1.00 73.41 H new ATOM 0 HD2 LYS A 36 -8.015 -7.235 -11.886 1.00 51.51 H new ATOM 0 HD3 LYS A 36 -6.424 -7.885 -12.231 1.00 51.51 H new ATOM 0 HE2 LYS A 36 -6.535 -6.936 -14.535 1.00 13.10 H new ATOM 0 HE3 LYS A 36 -8.127 -6.289 -14.193 1.00 13.10 H new ATOM 0 HZ1 LYS A 36 -6.424 -4.610 -13.930 1.00 73.41 H new ATOM 0 HZ2 LYS A 36 -7.164 -4.923 -12.434 1.00 73.41 H new ATOM 0 HZ3 LYS A 36 -5.621 -5.550 -12.766 1.00 73.41 H new ATOM 550 N ILE A 37 -6.071 -10.104 -9.877 1.00 33.05 N ATOM 551 CA ILE A 37 -5.001 -9.426 -9.136 1.00 72.21 C ATOM 552 C ILE A 37 -3.689 -10.230 -9.192 1.00 71.01 C ATOM 553 O ILE A 37 -3.442 -11.098 -8.355 1.00 75.21 O ATOM 554 CB ILE A 37 -5.388 -9.189 -7.653 1.00 31.50 C ATOM 555 CG1 ILE A 37 -6.774 -8.527 -7.545 1.00 24.13 C ATOM 556 CG2 ILE A 37 -4.325 -8.342 -6.955 1.00 12.33 C ATOM 557 CD1 ILE A 37 -6.897 -7.217 -8.297 1.00 41.21 C ATOM 0 H ILE A 37 -6.808 -10.493 -9.289 1.00 33.05 H new ATOM 0 HA ILE A 37 -4.854 -8.460 -9.618 1.00 72.21 H new ATOM 0 HB ILE A 37 -5.440 -10.156 -7.154 1.00 31.50 H new ATOM 0 HG12 ILE A 37 -7.526 -9.221 -7.921 1.00 24.13 H new ATOM 0 HG13 ILE A 37 -7.000 -8.352 -6.493 1.00 24.13 H new ATOM 0 HG21 ILE A 37 -4.611 -8.184 -5.915 1.00 12.33 H new ATOM 0 HG22 ILE A 37 -3.366 -8.858 -6.994 1.00 12.33 H new ATOM 0 HG23 ILE A 37 -4.239 -7.379 -7.458 1.00 12.33 H new ATOM 0 HD11 ILE A 37 -7.903 -6.817 -8.169 1.00 41.21 H new ATOM 0 HD12 ILE A 37 -6.171 -6.504 -7.907 1.00 41.21 H new ATOM 0 HD13 ILE A 37 -6.706 -7.386 -9.357 1.00 41.21 H new ATOM 569 N SER A 38 -2.865 -9.954 -10.196 1.00 41.11 N ATOM 570 CA SER A 38 -1.589 -10.665 -10.375 1.00 13.23 C ATOM 571 C SER A 38 -0.433 -9.956 -9.651 1.00 2.23 C ATOM 572 O SER A 38 -0.484 -8.745 -9.417 1.00 33.21 O ATOM 573 CB SER A 38 -1.270 -10.798 -11.871 1.00 72.32 C ATOM 574 OG SER A 38 -2.300 -11.504 -12.552 1.00 50.24 O ATOM 0 H SER A 38 -3.051 -9.243 -10.903 1.00 41.11 H new ATOM 0 HA SER A 38 -1.696 -11.656 -9.934 1.00 13.23 H new ATOM 0 HB2 SER A 38 -1.152 -9.808 -12.310 1.00 72.32 H new ATOM 0 HB3 SER A 38 -0.321 -11.319 -11.999 1.00 72.32 H new ATOM 0 HG SER A 38 -2.075 -11.574 -13.503 1.00 50.24 H new ATOM 580 N LYS A 39 0.608 -10.719 -9.301 1.00 41.34 N ATOM 581 CA LYS A 39 1.785 -10.174 -8.599 1.00 52.14 C ATOM 582 C LYS A 39 2.324 -8.899 -9.273 1.00 0.21 C ATOM 583 O LYS A 39 2.373 -7.836 -8.651 1.00 40.33 O ATOM 584 CB LYS A 39 2.908 -11.225 -8.511 1.00 43.11 C ATOM 585 CG LYS A 39 4.217 -10.668 -7.945 1.00 4.15 C ATOM 586 CD LYS A 39 5.346 -11.699 -7.932 1.00 34.22 C ATOM 587 CE LYS A 39 5.173 -12.738 -6.829 1.00 25.40 C ATOM 588 NZ LYS A 39 6.343 -13.656 -6.755 1.00 23.24 N ATOM 0 H LYS A 39 0.663 -11.720 -9.491 1.00 41.34 H new ATOM 0 HA LYS A 39 1.455 -9.912 -7.594 1.00 52.14 H new ATOM 0 HB2 LYS A 39 2.573 -12.053 -7.886 1.00 43.11 H new ATOM 0 HB3 LYS A 39 3.094 -11.632 -9.505 1.00 43.11 H new ATOM 0 HG2 LYS A 39 4.525 -9.806 -8.537 1.00 4.15 H new ATOM 0 HG3 LYS A 39 4.045 -10.312 -6.929 1.00 4.15 H new ATOM 0 HD2 LYS A 39 5.386 -12.202 -8.898 1.00 34.22 H new ATOM 0 HD3 LYS A 39 6.299 -11.188 -7.799 1.00 34.22 H new ATOM 0 HE2 LYS A 39 5.043 -12.235 -5.871 1.00 25.40 H new ATOM 0 HE3 LYS A 39 4.267 -13.316 -7.011 1.00 25.40 H new ATOM 0 HZ1 LYS A 39 6.193 -14.350 -5.995 1.00 23.24 H new ATOM 0 HZ2 LYS A 39 6.451 -14.154 -7.662 1.00 23.24 H new ATOM 0 HZ3 LYS A 39 7.203 -13.106 -6.557 1.00 23.24 H new ATOM 602 N GLU A 40 2.718 -9.010 -10.544 1.00 5.33 N ATOM 603 CA GLU A 40 3.292 -7.873 -11.276 1.00 51.13 C ATOM 604 C GLU A 40 2.349 -6.655 -11.267 1.00 32.44 C ATOM 605 O GLU A 40 2.798 -5.511 -11.203 1.00 64.00 O ATOM 606 CB GLU A 40 3.618 -8.267 -12.726 1.00 53.22 C ATOM 607 CG GLU A 40 2.397 -8.662 -13.551 1.00 5.50 C ATOM 608 CD GLU A 40 2.718 -8.862 -15.023 1.00 0.54 C ATOM 609 OE1 GLU A 40 2.847 -7.855 -15.747 1.00 21.40 O ATOM 610 OE2 GLU A 40 2.833 -10.023 -15.464 1.00 1.50 O ATOM 0 H GLU A 40 2.651 -9.871 -11.088 1.00 5.33 H new ATOM 0 HA GLU A 40 4.213 -7.594 -10.765 1.00 51.13 H new ATOM 0 HB2 GLU A 40 4.119 -7.432 -13.215 1.00 53.22 H new ATOM 0 HB3 GLU A 40 4.322 -9.099 -12.716 1.00 53.22 H new ATOM 0 HG2 GLU A 40 1.975 -9.583 -13.148 1.00 5.50 H new ATOM 0 HG3 GLU A 40 1.633 -7.891 -13.452 1.00 5.50 H new ATOM 617 N ALA A 41 1.043 -6.913 -11.327 1.00 20.24 N ATOM 618 CA ALA A 41 0.032 -5.850 -11.297 1.00 61.24 C ATOM 619 C ALA A 41 0.085 -5.065 -9.979 1.00 44.30 C ATOM 620 O ALA A 41 0.073 -3.832 -9.973 1.00 61.23 O ATOM 621 CB ALA A 41 -1.354 -6.445 -11.500 1.00 41.25 C ATOM 0 H ALA A 41 0.656 -7.854 -11.397 1.00 20.24 H new ATOM 0 HA ALA A 41 0.247 -5.155 -12.108 1.00 61.24 H new ATOM 0 HB1 ALA A 41 -2.099 -5.649 -11.476 1.00 41.25 H new ATOM 0 HB2 ALA A 41 -1.395 -6.952 -12.464 1.00 41.25 H new ATOM 0 HB3 ALA A 41 -1.563 -7.161 -10.705 1.00 41.25 H new ATOM 627 N LEU A 42 0.138 -5.792 -8.866 1.00 63.23 N ATOM 628 CA LEU A 42 0.242 -5.174 -7.539 1.00 73.30 C ATOM 629 C LEU A 42 1.570 -4.405 -7.413 1.00 75.21 C ATOM 630 O LEU A 42 1.600 -3.271 -6.924 1.00 63.44 O ATOM 631 CB LEU A 42 0.116 -6.263 -6.449 1.00 60.44 C ATOM 632 CG LEU A 42 -0.134 -5.768 -5.002 1.00 22.30 C ATOM 633 CD1 LEU A 42 -0.684 -6.903 -4.137 1.00 75.30 C ATOM 634 CD2 LEU A 42 1.143 -5.206 -4.372 1.00 54.14 C ATOM 0 H LEU A 42 0.111 -6.812 -8.853 1.00 63.23 H new ATOM 0 HA LEU A 42 -0.569 -4.459 -7.405 1.00 73.30 H new ATOM 0 HB2 LEU A 42 -0.700 -6.931 -6.727 1.00 60.44 H new ATOM 0 HB3 LEU A 42 1.030 -6.857 -6.453 1.00 60.44 H new ATOM 0 HG LEU A 42 -0.869 -4.965 -5.052 1.00 22.30 H new ATOM 0 HD11 LEU A 42 -0.854 -6.539 -3.124 1.00 75.30 H new ATOM 0 HD12 LEU A 42 -1.625 -7.258 -4.558 1.00 75.30 H new ATOM 0 HD13 LEU A 42 0.034 -7.722 -4.112 1.00 75.30 H new ATOM 0 HD21 LEU A 42 0.930 -4.868 -3.358 1.00 54.14 H new ATOM 0 HD22 LEU A 42 1.907 -5.983 -4.343 1.00 54.14 H new ATOM 0 HD23 LEU A 42 1.503 -4.366 -4.966 1.00 54.14 H new ATOM 646 N LEU A 43 2.657 -5.020 -7.881 1.00 15.44 N ATOM 647 CA LEU A 43 3.987 -4.401 -7.839 1.00 21.11 C ATOM 648 C LEU A 43 4.015 -3.065 -8.601 1.00 71.54 C ATOM 649 O LEU A 43 4.467 -2.055 -8.069 1.00 65.31 O ATOM 650 CB LEU A 43 5.040 -5.359 -8.418 1.00 63.33 C ATOM 651 CG LEU A 43 5.220 -6.684 -7.655 1.00 10.22 C ATOM 652 CD1 LEU A 43 6.271 -7.560 -8.337 1.00 52.13 C ATOM 653 CD2 LEU A 43 5.595 -6.424 -6.195 1.00 60.41 C ATOM 0 H LEU A 43 2.644 -5.952 -8.296 1.00 15.44 H new ATOM 0 HA LEU A 43 4.222 -4.196 -6.795 1.00 21.11 H new ATOM 0 HB2 LEU A 43 4.771 -5.587 -9.449 1.00 63.33 H new ATOM 0 HB3 LEU A 43 6.000 -4.843 -8.446 1.00 63.33 H new ATOM 0 HG LEU A 43 4.269 -7.217 -7.670 1.00 10.22 H new ATOM 0 HD11 LEU A 43 6.383 -8.492 -7.783 1.00 52.13 H new ATOM 0 HD12 LEU A 43 5.955 -7.780 -9.357 1.00 52.13 H new ATOM 0 HD13 LEU A 43 7.225 -7.033 -8.359 1.00 52.13 H new ATOM 0 HD21 LEU A 43 5.717 -7.375 -5.676 1.00 60.41 H new ATOM 0 HD22 LEU A 43 6.530 -5.865 -6.153 1.00 60.41 H new ATOM 0 HD23 LEU A 43 4.806 -5.846 -5.714 1.00 60.41 H new ATOM 665 N GLU A 44 3.519 -3.065 -9.840 1.00 31.03 N ATOM 666 CA GLU A 44 3.468 -1.840 -10.656 1.00 22.45 C ATOM 667 C GLU A 44 2.614 -0.747 -9.994 1.00 40.51 C ATOM 668 O GLU A 44 3.045 0.403 -9.871 1.00 52.01 O ATOM 669 CB GLU A 44 2.919 -2.146 -12.057 1.00 32.13 C ATOM 670 CG GLU A 44 3.815 -3.045 -12.898 1.00 35.13 C ATOM 671 CD GLU A 44 5.191 -2.445 -13.143 1.00 55.11 C ATOM 672 OE1 GLU A 44 5.295 -1.485 -13.939 1.00 53.52 O ATOM 673 OE2 GLU A 44 6.178 -2.938 -12.553 1.00 23.04 O ATOM 0 H GLU A 44 3.147 -3.894 -10.303 1.00 31.03 H new ATOM 0 HA GLU A 44 4.489 -1.468 -10.740 1.00 22.45 H new ATOM 0 HB2 GLU A 44 1.942 -2.618 -11.956 1.00 32.13 H new ATOM 0 HB3 GLU A 44 2.766 -1.206 -12.588 1.00 32.13 H new ATOM 0 HG2 GLU A 44 3.927 -4.007 -12.399 1.00 35.13 H new ATOM 0 HG3 GLU A 44 3.332 -3.237 -13.856 1.00 35.13 H new ATOM 680 N CYS A 45 1.404 -1.106 -9.570 1.00 33.24 N ATOM 681 CA CYS A 45 0.511 -0.154 -8.892 1.00 21.03 C ATOM 682 C CYS A 45 1.189 0.464 -7.659 1.00 1.24 C ATOM 683 O CYS A 45 1.129 1.676 -7.446 1.00 0.11 O ATOM 684 CB CYS A 45 -0.804 -0.834 -8.491 1.00 51.43 C ATOM 685 SG CYS A 45 -1.785 -1.431 -9.889 1.00 40.23 S ATOM 0 H CYS A 45 1.016 -2.043 -9.681 1.00 33.24 H new ATOM 0 HA CYS A 45 0.288 0.649 -9.595 1.00 21.03 H new ATOM 0 HB2 CYS A 45 -0.580 -1.674 -7.833 1.00 51.43 H new ATOM 0 HB3 CYS A 45 -1.404 -0.129 -7.915 1.00 51.43 H new ATOM 0 HG CYS A 45 -1.301 -2.563 -10.307 1.00 40.23 H new ATOM 691 N ALA A 46 1.849 -0.373 -6.861 1.00 22.21 N ATOM 692 CA ALA A 46 2.586 0.098 -5.683 1.00 62.33 C ATOM 693 C ALA A 46 3.842 0.894 -6.083 1.00 25.25 C ATOM 694 O ALA A 46 4.221 1.857 -5.412 1.00 72.35 O ATOM 695 CB ALA A 46 2.953 -1.083 -4.794 1.00 2.42 C ATOM 0 H ALA A 46 1.890 -1.382 -7.006 1.00 22.21 H new ATOM 0 HA ALA A 46 1.939 0.774 -5.124 1.00 62.33 H new ATOM 0 HB1 ALA A 46 3.500 -0.726 -3.922 1.00 2.42 H new ATOM 0 HB2 ALA A 46 2.044 -1.591 -4.470 1.00 2.42 H new ATOM 0 HB3 ALA A 46 3.578 -1.779 -5.354 1.00 2.42 H new ATOM 701 N ASP A 47 4.474 0.490 -7.183 1.00 33.50 N ATOM 702 CA ASP A 47 5.640 1.195 -7.729 1.00 72.42 C ATOM 703 C ASP A 47 5.294 2.657 -8.056 1.00 43.15 C ATOM 704 O ASP A 47 6.100 3.568 -7.834 1.00 74.04 O ATOM 705 CB ASP A 47 6.145 0.466 -8.983 1.00 2.20 C ATOM 706 CG ASP A 47 7.330 1.155 -9.636 1.00 24.13 C ATOM 707 OD1 ASP A 47 8.476 0.959 -9.175 1.00 62.34 O ATOM 708 OD2 ASP A 47 7.127 1.904 -10.612 1.00 72.24 O ATOM 0 H ASP A 47 4.197 -0.331 -7.721 1.00 33.50 H new ATOM 0 HA ASP A 47 6.430 1.200 -6.978 1.00 72.42 H new ATOM 0 HB2 ASP A 47 6.427 -0.552 -8.715 1.00 2.20 H new ATOM 0 HB3 ASP A 47 5.332 0.392 -9.705 1.00 2.20 H new ATOM 713 N LEU A 48 4.088 2.874 -8.582 1.00 53.12 N ATOM 714 CA LEU A 48 3.595 4.226 -8.861 1.00 21.35 C ATOM 715 C LEU A 48 3.571 5.086 -7.587 1.00 61.11 C ATOM 716 O LEU A 48 3.994 6.240 -7.604 1.00 4.22 O ATOM 717 CB LEU A 48 2.197 4.166 -9.490 1.00 11.33 C ATOM 718 CG LEU A 48 2.134 3.493 -10.871 1.00 4.13 C ATOM 719 CD1 LEU A 48 0.700 3.455 -11.391 1.00 10.41 C ATOM 720 CD2 LEU A 48 3.055 4.214 -11.856 1.00 20.40 C ATOM 0 H LEU A 48 3.433 2.131 -8.824 1.00 53.12 H new ATOM 0 HA LEU A 48 4.281 4.693 -9.568 1.00 21.35 H new ATOM 0 HB2 LEU A 48 1.532 3.631 -8.811 1.00 11.33 H new ATOM 0 HB3 LEU A 48 1.811 5.182 -9.580 1.00 11.33 H new ATOM 0 HG LEU A 48 2.479 2.464 -10.770 1.00 4.13 H new ATOM 0 HD11 LEU A 48 0.680 2.975 -12.369 1.00 10.41 H new ATOM 0 HD12 LEU A 48 0.076 2.891 -10.697 1.00 10.41 H new ATOM 0 HD13 LEU A 48 0.318 4.472 -11.479 1.00 10.41 H new ATOM 0 HD21 LEU A 48 3.000 3.726 -12.829 1.00 20.40 H new ATOM 0 HD22 LEU A 48 2.742 5.254 -11.953 1.00 20.40 H new ATOM 0 HD23 LEU A 48 4.081 4.177 -11.489 1.00 20.40 H new ATOM 732 N LEU A 49 3.086 4.512 -6.485 1.00 55.15 N ATOM 733 CA LEU A 49 3.106 5.197 -5.183 1.00 0.00 C ATOM 734 C LEU A 49 4.547 5.504 -4.749 1.00 0.22 C ATOM 735 O LEU A 49 4.887 6.649 -4.446 1.00 2.12 O ATOM 736 CB LEU A 49 2.414 4.347 -4.102 1.00 53.12 C ATOM 737 CG LEU A 49 0.875 4.346 -4.124 1.00 22.13 C ATOM 738 CD1 LEU A 49 0.333 3.835 -5.455 1.00 74.34 C ATOM 739 CD2 LEU A 49 0.335 3.510 -2.966 1.00 62.30 C ATOM 0 H LEU A 49 2.675 3.579 -6.463 1.00 55.15 H new ATOM 0 HA LEU A 49 2.562 6.134 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.759 3.318 -4.202 1.00 53.12 H new ATOM 0 HB3 LEU A 49 2.743 4.700 -3.125 1.00 53.12 H new ATOM 0 HG LEU A 49 0.536 5.375 -4.007 1.00 22.13 H new ATOM 0 HD11 LEU A 49 -0.757 3.849 -5.433 1.00 74.34 H new ATOM 0 HD12 LEU A 49 0.688 4.475 -6.262 1.00 74.34 H new ATOM 0 HD13 LEU A 49 0.680 2.815 -5.622 1.00 74.34 H new ATOM 0 HD21 LEU A 49 -0.755 3.516 -2.990 1.00 62.30 H new ATOM 0 HD22 LEU A 49 0.695 2.485 -3.058 1.00 62.30 H new ATOM 0 HD23 LEU A 49 0.679 3.932 -2.022 1.00 62.30 H new ATOM 751 N SER A 50 5.393 4.472 -4.746 1.00 65.41 N ATOM 752 CA SER A 50 6.801 4.610 -4.340 1.00 52.24 C ATOM 753 C SER A 50 7.518 5.719 -5.127 1.00 1.02 C ATOM 754 O SER A 50 8.299 6.489 -4.566 1.00 12.41 O ATOM 755 CB SER A 50 7.548 3.282 -4.534 1.00 21.20 C ATOM 756 OG SER A 50 8.926 3.415 -4.220 1.00 60.01 O ATOM 0 H SER A 50 5.130 3.526 -5.021 1.00 65.41 H new ATOM 0 HA SER A 50 6.805 4.884 -3.285 1.00 52.24 H new ATOM 0 HB2 SER A 50 7.101 2.515 -3.901 1.00 21.20 H new ATOM 0 HB3 SER A 50 7.438 2.948 -5.566 1.00 21.20 H new ATOM 0 HG SER A 50 9.376 2.554 -4.351 1.00 60.01 H new ATOM 762 N SER A 51 7.242 5.796 -6.430 1.00 33.32 N ATOM 763 CA SER A 51 7.859 6.812 -7.298 1.00 53.24 C ATOM 764 C SER A 51 7.217 8.193 -7.098 1.00 22.03 C ATOM 765 O SER A 51 7.913 9.198 -6.945 1.00 23.24 O ATOM 766 CB SER A 51 7.748 6.401 -8.772 1.00 12.12 C ATOM 767 OG SER A 51 8.383 7.344 -9.623 1.00 23.23 O ATOM 0 H SER A 51 6.597 5.170 -6.911 1.00 33.32 H new ATOM 0 HA SER A 51 8.911 6.880 -7.020 1.00 53.24 H new ATOM 0 HB2 SER A 51 8.201 5.419 -8.912 1.00 12.12 H new ATOM 0 HB3 SER A 51 6.697 6.310 -9.048 1.00 12.12 H new ATOM 0 HG SER A 51 8.297 7.054 -10.555 1.00 23.23 H new ATOM 773 N ALA A 52 5.885 8.233 -7.078 1.00 62.35 N ATOM 774 CA ALA A 52 5.138 9.494 -6.960 1.00 64.34 C ATOM 775 C ALA A 52 5.437 10.228 -5.641 1.00 52.23 C ATOM 776 O ALA A 52 5.333 11.450 -5.567 1.00 2.13 O ATOM 777 CB ALA A 52 3.640 9.231 -7.096 1.00 15.42 C ATOM 0 H ALA A 52 5.294 7.404 -7.142 1.00 62.35 H new ATOM 0 HA ALA A 52 5.466 10.145 -7.770 1.00 64.34 H new ATOM 0 HB1 ALA A 52 3.096 10.171 -7.007 1.00 15.42 H new ATOM 0 HB2 ALA A 52 3.436 8.784 -8.069 1.00 15.42 H new ATOM 0 HB3 ALA A 52 3.317 8.549 -6.309 1.00 15.42 H new ATOM 783 N LEU A 53 5.811 9.480 -4.603 1.00 1.23 N ATOM 784 CA LEU A 53 6.152 10.077 -3.306 1.00 62.30 C ATOM 785 C LEU A 53 7.520 10.790 -3.329 1.00 32.40 C ATOM 786 O LEU A 53 7.886 11.471 -2.369 1.00 0.24 O ATOM 787 CB LEU A 53 6.119 9.006 -2.204 1.00 55.20 C ATOM 788 CG LEU A 53 4.715 8.472 -1.863 1.00 53.33 C ATOM 789 CD1 LEU A 53 4.801 7.294 -0.901 1.00 22.12 C ATOM 790 CD2 LEU A 53 3.845 9.580 -1.274 1.00 64.33 C ATOM 0 H LEU A 53 5.886 8.463 -4.632 1.00 1.23 H new ATOM 0 HA LEU A 53 5.401 10.838 -3.091 1.00 62.30 H new ATOM 0 HB2 LEU A 53 6.746 8.169 -2.512 1.00 55.20 H new ATOM 0 HB3 LEU A 53 6.564 9.422 -1.300 1.00 55.20 H new ATOM 0 HG LEU A 53 4.253 8.125 -2.787 1.00 53.33 H new ATOM 0 HD11 LEU A 53 3.797 6.935 -0.675 1.00 22.12 H new ATOM 0 HD12 LEU A 53 5.379 6.492 -1.359 1.00 22.12 H new ATOM 0 HD13 LEU A 53 5.288 7.612 0.021 1.00 22.12 H new ATOM 0 HD21 LEU A 53 2.858 9.182 -1.040 1.00 64.33 H new ATOM 0 HD22 LEU A 53 4.308 9.961 -0.363 1.00 64.33 H new ATOM 0 HD23 LEU A 53 3.748 10.390 -1.997 1.00 64.33 H new ATOM 802 N THR A 54 8.270 10.637 -4.425 1.00 44.13 N ATOM 803 CA THR A 54 9.558 11.338 -4.586 1.00 52.02 C ATOM 804 C THR A 54 9.360 12.661 -5.338 1.00 45.44 C ATOM 805 O THR A 54 9.795 13.723 -4.884 1.00 72.54 O ATOM 806 CB THR A 54 10.606 10.482 -5.349 1.00 53.41 C ATOM 807 OG1 THR A 54 10.271 10.400 -6.745 1.00 23.23 O ATOM 808 CG2 THR A 54 10.693 9.075 -4.763 1.00 45.45 C ATOM 0 H THR A 54 8.014 10.040 -5.211 1.00 44.13 H new ATOM 0 HA THR A 54 9.935 11.527 -3.581 1.00 52.02 H new ATOM 0 HB THR A 54 11.575 10.969 -5.240 1.00 53.41 H new ATOM 0 HG1 THR A 54 9.518 9.784 -6.865 1.00 23.23 H new ATOM 0 HG21 THR A 54 11.434 8.496 -5.315 1.00 45.45 H new ATOM 0 HG22 THR A 54 10.987 9.135 -3.715 1.00 45.45 H new ATOM 0 HG23 THR A 54 9.721 8.588 -4.840 1.00 45.45 H new ATOM 816 N GLU A 55 8.701 12.578 -6.490 1.00 0.50 N ATOM 817 CA GLU A 55 8.360 13.756 -7.295 1.00 75.34 C ATOM 818 C GLU A 55 7.225 14.568 -6.638 1.00 11.32 C ATOM 819 O GLU A 55 6.501 14.055 -5.781 1.00 32.22 O ATOM 820 CB GLU A 55 7.929 13.308 -8.702 1.00 1.33 C ATOM 821 CG GLU A 55 6.691 12.412 -8.703 1.00 54.10 C ATOM 822 CD GLU A 55 6.230 12.038 -10.103 1.00 31.11 C ATOM 823 OE1 GLU A 55 5.842 12.950 -10.866 1.00 33.42 O ATOM 824 OE2 GLU A 55 6.254 10.839 -10.450 1.00 3.44 O ATOM 0 H GLU A 55 8.387 11.696 -6.895 1.00 0.50 H new ATOM 0 HA GLU A 55 9.241 14.394 -7.362 1.00 75.34 H new ATOM 0 HB2 GLU A 55 7.730 14.190 -9.311 1.00 1.33 H new ATOM 0 HB3 GLU A 55 8.754 12.775 -9.174 1.00 1.33 H new ATOM 0 HG2 GLU A 55 6.907 11.503 -8.142 1.00 54.10 H new ATOM 0 HG3 GLU A 55 5.880 12.922 -8.183 1.00 54.10 H new ATOM 831 N PRO A 56 7.057 15.855 -7.007 1.00 71.52 N ATOM 832 CA PRO A 56 5.925 16.654 -6.519 1.00 2.30 C ATOM 833 C PRO A 56 4.601 16.260 -7.201 1.00 13.44 C ATOM 834 O PRO A 56 4.471 16.339 -8.425 1.00 22.21 O ATOM 835 CB PRO A 56 6.315 18.103 -6.889 1.00 1.40 C ATOM 836 CG PRO A 56 7.739 18.037 -7.354 1.00 4.51 C ATOM 837 CD PRO A 56 7.943 16.641 -7.874 1.00 10.15 C ATOM 0 HA PRO A 56 5.753 16.509 -5.452 1.00 2.30 H new ATOM 0 HB2 PRO A 56 5.666 18.495 -7.672 1.00 1.40 H new ATOM 0 HB3 PRO A 56 6.215 18.766 -6.030 1.00 1.40 H new ATOM 0 HG2 PRO A 56 7.929 18.775 -8.133 1.00 4.51 H new ATOM 0 HG3 PRO A 56 8.427 18.253 -6.536 1.00 4.51 H new ATOM 0 HD2 PRO A 56 7.667 16.553 -8.925 1.00 10.15 H new ATOM 0 HD3 PRO A 56 8.982 16.323 -7.790 1.00 10.15 H new ATOM 845 N VAL A 57 3.620 15.851 -6.399 1.00 62.30 N ATOM 846 CA VAL A 57 2.289 15.477 -6.903 1.00 44.44 C ATOM 847 C VAL A 57 1.186 15.924 -5.927 1.00 1.24 C ATOM 848 O VAL A 57 1.443 16.101 -4.734 1.00 0.14 O ATOM 849 CB VAL A 57 2.168 13.943 -7.130 1.00 62.12 C ATOM 850 CG1 VAL A 57 2.987 13.490 -8.339 1.00 52.42 C ATOM 851 CG2 VAL A 57 2.586 13.180 -5.874 1.00 63.13 C ATOM 0 H VAL A 57 3.718 15.768 -5.387 1.00 62.30 H new ATOM 0 HA VAL A 57 2.162 15.985 -7.859 1.00 44.44 H new ATOM 0 HB VAL A 57 1.122 13.718 -7.339 1.00 62.12 H new ATOM 0 HG11 VAL A 57 2.880 12.413 -8.468 1.00 52.42 H new ATOM 0 HG12 VAL A 57 2.629 14.000 -9.233 1.00 52.42 H new ATOM 0 HG13 VAL A 57 4.037 13.733 -8.179 1.00 52.42 H new ATOM 0 HG21 VAL A 57 2.495 12.109 -6.052 1.00 63.13 H new ATOM 0 HG22 VAL A 57 3.621 13.420 -5.630 1.00 63.13 H new ATOM 0 HG23 VAL A 57 1.941 13.466 -5.043 1.00 63.13 H new ATOM 861 N PRO A 58 -0.054 16.117 -6.413 1.00 62.52 N ATOM 862 CA PRO A 58 -1.198 16.420 -5.539 1.00 44.42 C ATOM 863 C PRO A 58 -1.495 15.273 -4.555 1.00 32.44 C ATOM 864 O PRO A 58 -1.648 14.116 -4.958 1.00 54.15 O ATOM 865 CB PRO A 58 -2.365 16.618 -6.521 1.00 65.13 C ATOM 866 CG PRO A 58 -1.935 15.942 -7.781 1.00 61.14 C ATOM 867 CD PRO A 58 -0.438 16.079 -7.836 1.00 21.41 C ATOM 0 HA PRO A 58 -1.014 17.291 -4.910 1.00 44.42 H new ATOM 0 HB2 PRO A 58 -3.285 16.180 -6.133 1.00 65.13 H new ATOM 0 HB3 PRO A 58 -2.563 17.677 -6.690 1.00 65.13 H new ATOM 0 HG2 PRO A 58 -2.231 14.893 -7.781 1.00 61.14 H new ATOM 0 HG3 PRO A 58 -2.401 16.405 -8.651 1.00 61.14 H new ATOM 0 HD2 PRO A 58 0.025 15.240 -8.356 1.00 21.41 H new ATOM 0 HD3 PRO A 58 -0.135 16.986 -8.360 1.00 21.41 H new ATOM 875 N ASN A 59 -1.587 15.597 -3.262 1.00 74.41 N ATOM 876 CA ASN A 59 -1.847 14.582 -2.230 1.00 4.03 C ATOM 877 C ASN A 59 -3.142 13.808 -2.519 1.00 22.25 C ATOM 878 O ASN A 59 -3.252 12.620 -2.206 1.00 22.13 O ATOM 879 CB ASN A 59 -1.913 15.228 -0.839 1.00 22.23 C ATOM 880 CG ASN A 59 -0.599 15.882 -0.447 1.00 12.11 C ATOM 881 OD1 ASN A 59 -0.371 17.059 -0.705 1.00 1.33 O ATOM 882 ND2 ASN A 59 0.280 15.124 0.177 1.00 63.52 N ATOM 0 H ASN A 59 -1.487 16.547 -2.904 1.00 74.41 H new ATOM 0 HA ASN A 59 -1.019 13.873 -2.249 1.00 4.03 H new ATOM 0 HB2 ASN A 59 -2.707 15.975 -0.824 1.00 22.23 H new ATOM 0 HB3 ASN A 59 -2.174 14.470 -0.100 1.00 22.23 H new ATOM 0 HD21 ASN A 59 1.180 15.513 0.460 1.00 63.52 H new ATOM 0 HD22 ASN A 59 0.061 14.148 0.377 1.00 63.52 H new ATOM 889 N SER A 60 -4.116 14.488 -3.126 1.00 44.13 N ATOM 890 CA SER A 60 -5.365 13.845 -3.563 1.00 3.22 C ATOM 891 C SER A 60 -5.081 12.683 -4.530 1.00 50.41 C ATOM 892 O SER A 60 -5.712 11.626 -4.452 1.00 51.52 O ATOM 893 CB SER A 60 -6.288 14.869 -4.243 1.00 21.15 C ATOM 894 OG SER A 60 -6.604 15.946 -3.368 1.00 1.44 O ATOM 0 H SER A 60 -4.067 15.487 -3.328 1.00 44.13 H new ATOM 0 HA SER A 60 -5.861 13.447 -2.677 1.00 3.22 H new ATOM 0 HB2 SER A 60 -5.805 15.257 -5.140 1.00 21.15 H new ATOM 0 HB3 SER A 60 -7.206 14.377 -4.563 1.00 21.15 H new ATOM 0 HG SER A 60 -7.191 16.581 -3.829 1.00 1.44 H new ATOM 900 N GLN A 61 -4.117 12.886 -5.434 1.00 11.32 N ATOM 901 CA GLN A 61 -3.697 11.840 -6.379 1.00 22.32 C ATOM 902 C GLN A 61 -3.103 10.638 -5.633 1.00 21.15 C ATOM 903 O GLN A 61 -3.428 9.490 -5.927 1.00 41.30 O ATOM 904 CB GLN A 61 -2.660 12.397 -7.367 1.00 24.55 C ATOM 905 CG GLN A 61 -2.120 11.362 -8.355 1.00 20.14 C ATOM 906 CD GLN A 61 -1.012 11.908 -9.239 1.00 2.51 C ATOM 907 OE1 GLN A 61 -0.965 13.095 -9.542 1.00 5.21 O ATOM 908 NE2 GLN A 61 -0.117 11.041 -9.670 1.00 41.34 N ATOM 0 H GLN A 61 -3.611 13.766 -5.533 1.00 11.32 H new ATOM 0 HA GLN A 61 -4.578 11.511 -6.930 1.00 22.32 H new ATOM 0 HB2 GLN A 61 -3.111 13.217 -7.926 1.00 24.55 H new ATOM 0 HB3 GLN A 61 -1.826 12.816 -6.804 1.00 24.55 H new ATOM 0 HG2 GLN A 61 -1.745 10.501 -7.802 1.00 20.14 H new ATOM 0 HG3 GLN A 61 -2.937 11.007 -8.983 1.00 20.14 H new ATOM 0 HE21 GLN A 61 -0.185 10.060 -9.399 1.00 41.34 H new ATOM 0 HE22 GLN A 61 0.644 11.351 -10.275 1.00 41.34 H new ATOM 917 N LEU A 62 -2.231 10.920 -4.666 1.00 14.55 N ATOM 918 CA LEU A 62 -1.619 9.873 -3.836 1.00 22.41 C ATOM 919 C LEU A 62 -2.683 9.006 -3.146 1.00 3.50 C ATOM 920 O LEU A 62 -2.579 7.780 -3.122 1.00 23.22 O ATOM 921 CB LEU A 62 -0.696 10.505 -2.786 1.00 2.13 C ATOM 922 CG LEU A 62 0.521 11.251 -3.353 1.00 65.21 C ATOM 923 CD1 LEU A 62 1.272 11.989 -2.247 1.00 11.12 C ATOM 924 CD2 LEU A 62 1.451 10.281 -4.080 1.00 2.24 C ATOM 0 H LEU A 62 -1.929 11.866 -4.434 1.00 14.55 H new ATOM 0 HA LEU A 62 -1.034 9.228 -4.491 1.00 22.41 H new ATOM 0 HB2 LEU A 62 -1.280 11.200 -2.183 1.00 2.13 H new ATOM 0 HB3 LEU A 62 -0.342 9.721 -2.116 1.00 2.13 H new ATOM 0 HG LEU A 62 0.163 11.990 -4.070 1.00 65.21 H new ATOM 0 HD11 LEU A 62 2.129 12.509 -2.674 1.00 11.12 H new ATOM 0 HD12 LEU A 62 0.607 12.712 -1.775 1.00 11.12 H new ATOM 0 HD13 LEU A 62 1.617 11.273 -1.501 1.00 11.12 H new ATOM 0 HD21 LEU A 62 2.308 10.826 -4.476 1.00 2.24 H new ATOM 0 HD22 LEU A 62 1.797 9.517 -3.383 1.00 2.24 H new ATOM 0 HD23 LEU A 62 0.913 9.807 -4.900 1.00 2.24 H new ATOM 936 N VAL A 63 -3.706 9.653 -2.591 1.00 73.14 N ATOM 937 CA VAL A 63 -4.803 8.941 -1.927 1.00 52.11 C ATOM 938 C VAL A 63 -5.646 8.129 -2.931 1.00 2.53 C ATOM 939 O VAL A 63 -5.991 6.977 -2.672 1.00 20.11 O ATOM 940 CB VAL A 63 -5.725 9.920 -1.154 1.00 54.14 C ATOM 941 CG1 VAL A 63 -6.871 9.173 -0.469 1.00 55.52 C ATOM 942 CG2 VAL A 63 -4.921 10.727 -0.137 1.00 44.55 C ATOM 0 H VAL A 63 -3.801 10.669 -2.586 1.00 73.14 H new ATOM 0 HA VAL A 63 -4.343 8.251 -1.219 1.00 52.11 H new ATOM 0 HB VAL A 63 -6.160 10.612 -1.875 1.00 54.14 H new ATOM 0 HG11 VAL A 63 -7.501 9.884 0.065 1.00 55.52 H new ATOM 0 HG12 VAL A 63 -7.466 8.653 -1.220 1.00 55.52 H new ATOM 0 HG13 VAL A 63 -6.463 8.449 0.236 1.00 55.52 H new ATOM 0 HG21 VAL A 63 -5.586 11.408 0.395 1.00 44.55 H new ATOM 0 HG22 VAL A 63 -4.450 10.049 0.575 1.00 44.55 H new ATOM 0 HG23 VAL A 63 -4.152 11.301 -0.654 1.00 44.55 H new ATOM 952 N ASP A 64 -5.970 8.732 -4.077 1.00 55.11 N ATOM 953 CA ASP A 64 -6.781 8.057 -5.100 1.00 74.02 C ATOM 954 C ASP A 64 -6.039 6.852 -5.710 1.00 34.13 C ATOM 955 O ASP A 64 -6.543 5.726 -5.697 1.00 31.20 O ATOM 956 CB ASP A 64 -7.169 9.053 -6.200 1.00 64.43 C ATOM 957 CG ASP A 64 -7.973 8.402 -7.313 1.00 64.20 C ATOM 958 OD1 ASP A 64 -9.178 8.145 -7.108 1.00 42.13 O ATOM 959 OD2 ASP A 64 -7.404 8.148 -8.397 1.00 73.30 O ATOM 0 H ASP A 64 -5.687 9.681 -4.322 1.00 55.11 H new ATOM 0 HA ASP A 64 -7.683 7.679 -4.618 1.00 74.02 H new ATOM 0 HB2 ASP A 64 -7.750 9.865 -5.763 1.00 64.43 H new ATOM 0 HB3 ASP A 64 -6.266 9.497 -6.619 1.00 64.43 H new ATOM 964 N THR A 65 -4.837 7.092 -6.223 1.00 12.11 N ATOM 965 CA THR A 65 -4.010 6.025 -6.799 1.00 63.40 C ATOM 966 C THR A 65 -3.629 4.982 -5.737 1.00 43.53 C ATOM 967 O THR A 65 -3.533 3.791 -6.027 1.00 2.52 O ATOM 968 CB THR A 65 -2.722 6.597 -7.450 1.00 1.24 C ATOM 969 OG1 THR A 65 -3.070 7.525 -8.493 1.00 53.34 O ATOM 970 CG2 THR A 65 -1.849 5.490 -8.034 1.00 2.40 C ATOM 0 H THR A 65 -4.408 8.017 -6.254 1.00 12.11 H new ATOM 0 HA THR A 65 -4.608 5.541 -7.571 1.00 63.40 H new ATOM 0 HB THR A 65 -2.156 7.106 -6.670 1.00 1.24 H new ATOM 0 HG1 THR A 65 -2.253 7.883 -8.898 1.00 53.34 H new ATOM 0 HG21 THR A 65 -0.957 5.928 -8.481 1.00 2.40 H new ATOM 0 HG22 THR A 65 -1.557 4.801 -7.242 1.00 2.40 H new ATOM 0 HG23 THR A 65 -2.409 4.949 -8.797 1.00 2.40 H new ATOM 978 N GLY A 66 -3.430 5.438 -4.503 1.00 61.40 N ATOM 979 CA GLY A 66 -3.097 4.531 -3.412 1.00 4.40 C ATOM 980 C GLY A 66 -4.283 3.702 -2.926 1.00 61.42 C ATOM 981 O GLY A 66 -4.116 2.563 -2.486 1.00 32.44 O ATOM 0 H GLY A 66 -3.493 6.421 -4.237 1.00 61.40 H new ATOM 0 HA2 GLY A 66 -2.303 3.859 -3.738 1.00 4.40 H new ATOM 0 HA3 GLY A 66 -2.702 5.109 -2.577 1.00 4.40 H new ATOM 985 N HIS A 67 -5.488 4.265 -3.013 1.00 3.32 N ATOM 986 CA HIS A 67 -6.693 3.598 -2.505 1.00 61.43 C ATOM 987 C HIS A 67 -6.962 2.266 -3.230 1.00 72.24 C ATOM 988 O HIS A 67 -7.415 1.299 -2.614 1.00 10.44 O ATOM 989 CB HIS A 67 -7.912 4.523 -2.637 1.00 42.52 C ATOM 990 CG HIS A 67 -9.121 4.029 -1.898 1.00 2.15 C ATOM 991 ND1 HIS A 67 -10.191 3.419 -2.518 1.00 14.25 N ATOM 992 CD2 HIS A 67 -9.427 4.062 -0.579 1.00 72.32 C ATOM 993 CE1 HIS A 67 -11.096 3.098 -1.616 1.00 31.12 C ATOM 994 NE2 HIS A 67 -10.658 3.477 -0.432 1.00 61.32 N ATOM 0 H HIS A 67 -5.659 5.180 -3.430 1.00 3.32 H new ATOM 0 HA HIS A 67 -6.521 3.374 -1.452 1.00 61.43 H new ATOM 0 HB2 HIS A 67 -7.649 5.513 -2.266 1.00 42.52 H new ATOM 0 HB3 HIS A 67 -8.161 4.634 -3.692 1.00 42.52 H new ATOM 0 HD2 HIS A 67 -8.815 4.473 0.210 1.00 72.32 H new ATOM 0 HE1 HIS A 67 -12.038 2.607 -1.813 1.00 31.12 H new ATOM 0 HE2 HIS A 67 -11.155 3.355 0.451 1.00 61.32 H new ATOM 1003 N GLN A 68 -6.670 2.212 -4.534 1.00 51.44 N ATOM 1004 CA GLN A 68 -6.912 0.993 -5.325 1.00 32.30 C ATOM 1005 C GLN A 68 -6.041 -0.179 -4.841 1.00 50.52 C ATOM 1006 O GLN A 68 -6.382 -1.345 -5.051 1.00 23.54 O ATOM 1007 CB GLN A 68 -6.674 1.245 -6.824 1.00 63.54 C ATOM 1008 CG GLN A 68 -5.214 1.453 -7.203 1.00 70.13 C ATOM 1009 CD GLN A 68 -5.025 1.664 -8.696 1.00 12.45 C ATOM 1010 OE1 GLN A 68 -4.843 0.716 -9.453 1.00 1.04 O ATOM 1011 NE2 GLN A 68 -5.072 2.906 -9.133 1.00 52.34 N ATOM 0 H GLN A 68 -6.270 2.987 -5.063 1.00 51.44 H new ATOM 0 HA GLN A 68 -7.958 0.722 -5.180 1.00 32.30 H new ATOM 0 HB2 GLN A 68 -7.066 0.399 -7.389 1.00 63.54 H new ATOM 0 HB3 GLN A 68 -7.244 2.123 -7.127 1.00 63.54 H new ATOM 0 HG2 GLN A 68 -4.822 2.316 -6.665 1.00 70.13 H new ATOM 0 HG3 GLN A 68 -4.633 0.588 -6.885 1.00 70.13 H new ATOM 0 HE21 GLN A 68 -5.225 3.672 -8.477 1.00 52.34 H new ATOM 0 HE22 GLN A 68 -4.955 3.102 -10.127 1.00 52.34 H new ATOM 1020 N LEU A 69 -4.920 0.134 -4.182 1.00 71.11 N ATOM 1021 CA LEU A 69 -4.055 -0.902 -3.598 1.00 62.04 C ATOM 1022 C LEU A 69 -4.813 -1.725 -2.547 1.00 22.25 C ATOM 1023 O LEU A 69 -4.503 -2.893 -2.324 1.00 33.11 O ATOM 1024 CB LEU A 69 -2.784 -0.287 -2.979 1.00 13.35 C ATOM 1025 CG LEU A 69 -1.616 -0.033 -3.955 1.00 44.31 C ATOM 1026 CD1 LEU A 69 -1.137 -1.345 -4.573 1.00 71.41 C ATOM 1027 CD2 LEU A 69 -2.009 0.967 -5.041 1.00 75.33 C ATOM 0 H LEU A 69 -4.590 1.089 -4.039 1.00 71.11 H new ATOM 0 HA LEU A 69 -3.753 -1.568 -4.407 1.00 62.04 H new ATOM 0 HB2 LEU A 69 -3.053 0.659 -2.510 1.00 13.35 H new ATOM 0 HB3 LEU A 69 -2.433 -0.947 -2.186 1.00 13.35 H new ATOM 0 HG LEU A 69 -0.793 0.401 -3.387 1.00 44.31 H new ATOM 0 HD11 LEU A 69 -0.313 -1.145 -5.258 1.00 71.41 H new ATOM 0 HD12 LEU A 69 -0.798 -2.016 -3.784 1.00 71.41 H new ATOM 0 HD13 LEU A 69 -1.958 -1.811 -5.118 1.00 71.41 H new ATOM 0 HD21 LEU A 69 -1.165 1.125 -5.713 1.00 75.33 H new ATOM 0 HD22 LEU A 69 -2.855 0.576 -5.607 1.00 75.33 H new ATOM 0 HD23 LEU A 69 -2.288 1.914 -4.580 1.00 75.33 H new ATOM 1039 N LEU A 70 -5.809 -1.115 -1.905 1.00 74.00 N ATOM 1040 CA LEU A 70 -6.664 -1.829 -0.950 1.00 63.31 C ATOM 1041 C LEU A 70 -7.494 -2.913 -1.655 1.00 24.52 C ATOM 1042 O LEU A 70 -7.629 -4.031 -1.154 1.00 74.54 O ATOM 1043 CB LEU A 70 -7.585 -0.846 -0.201 1.00 53.44 C ATOM 1044 CG LEU A 70 -6.943 -0.118 0.997 1.00 72.30 C ATOM 1045 CD1 LEU A 70 -6.536 -1.122 2.070 1.00 30.45 C ATOM 1046 CD2 LEU A 70 -5.735 0.715 0.568 1.00 71.34 C ATOM 0 H LEU A 70 -6.045 -0.130 -2.027 1.00 74.00 H new ATOM 0 HA LEU A 70 -6.016 -2.318 -0.222 1.00 63.31 H new ATOM 0 HB2 LEU A 70 -7.942 -0.098 -0.909 1.00 53.44 H new ATOM 0 HB3 LEU A 70 -8.459 -1.392 0.154 1.00 53.44 H new ATOM 0 HG LEU A 70 -7.688 0.563 1.408 1.00 72.30 H new ATOM 0 HD11 LEU A 70 -6.084 -0.594 2.910 1.00 30.45 H new ATOM 0 HD12 LEU A 70 -7.417 -1.664 2.414 1.00 30.45 H new ATOM 0 HD13 LEU A 70 -5.816 -1.827 1.654 1.00 30.45 H new ATOM 0 HD21 LEU A 70 -5.309 1.213 1.439 1.00 71.34 H new ATOM 0 HD22 LEU A 70 -4.985 0.064 0.119 1.00 71.34 H new ATOM 0 HD23 LEU A 70 -6.049 1.463 -0.160 1.00 71.34 H new ATOM 1058 N ASP A 71 -8.036 -2.584 -2.828 1.00 51.42 N ATOM 1059 CA ASP A 71 -8.798 -3.552 -3.621 1.00 23.33 C ATOM 1060 C ASP A 71 -7.880 -4.688 -4.113 1.00 52.34 C ATOM 1061 O ASP A 71 -8.214 -5.869 -3.998 1.00 31.21 O ATOM 1062 CB ASP A 71 -9.469 -2.848 -4.806 1.00 63.21 C ATOM 1063 CG ASP A 71 -10.494 -3.731 -5.498 1.00 0.41 C ATOM 1064 OD1 ASP A 71 -10.114 -4.495 -6.410 1.00 11.53 O ATOM 1065 OD2 ASP A 71 -11.685 -3.671 -5.131 1.00 52.20 O ATOM 0 H ASP A 71 -7.963 -1.658 -3.250 1.00 51.42 H new ATOM 0 HA ASP A 71 -9.573 -3.989 -2.991 1.00 23.33 H new ATOM 0 HB2 ASP A 71 -9.955 -1.937 -4.457 1.00 63.21 H new ATOM 0 HB3 ASP A 71 -8.707 -2.547 -5.525 1.00 63.21 H new ATOM 1070 N TYR A 72 -6.714 -4.318 -4.645 1.00 63.11 N ATOM 1071 CA TYR A 72 -5.718 -5.302 -5.089 1.00 72.50 C ATOM 1072 C TYR A 72 -5.244 -6.199 -3.930 1.00 55.00 C ATOM 1073 O TYR A 72 -5.223 -7.420 -4.050 1.00 71.22 O ATOM 1074 CB TYR A 72 -4.517 -4.594 -5.740 1.00 3.13 C ATOM 1075 CG TYR A 72 -4.750 -4.202 -7.191 1.00 4.52 C ATOM 1076 CD1 TYR A 72 -5.620 -3.170 -7.528 1.00 72.14 C ATOM 1077 CD2 TYR A 72 -4.101 -4.876 -8.223 1.00 54.12 C ATOM 1078 CE1 TYR A 72 -5.839 -2.826 -8.849 1.00 71.41 C ATOM 1079 CE2 TYR A 72 -4.314 -4.533 -9.545 1.00 42.24 C ATOM 1080 CZ TYR A 72 -5.184 -3.510 -9.852 1.00 32.33 C ATOM 1081 OH TYR A 72 -5.404 -3.174 -11.167 1.00 0.24 O ATOM 0 H TYR A 72 -6.434 -3.347 -4.780 1.00 63.11 H new ATOM 0 HA TYR A 72 -6.198 -5.943 -5.828 1.00 72.50 H new ATOM 0 HB2 TYR A 72 -4.279 -3.699 -5.165 1.00 3.13 H new ATOM 0 HB3 TYR A 72 -3.647 -5.249 -5.685 1.00 3.13 H new ATOM 0 HD1 TYR A 72 -6.132 -2.629 -6.746 1.00 72.14 H new ATOM 0 HD2 TYR A 72 -3.420 -5.680 -7.986 1.00 54.12 H new ATOM 0 HE1 TYR A 72 -6.520 -2.025 -9.095 1.00 71.41 H new ATOM 0 HE2 TYR A 72 -3.801 -5.064 -10.333 1.00 42.24 H new ATOM 0 HH TYR A 72 -4.865 -3.751 -11.747 1.00 0.24 H new ATOM 1091 N CYS A 73 -4.881 -5.586 -2.808 1.00 71.53 N ATOM 1092 CA CYS A 73 -4.394 -6.333 -1.637 1.00 22.31 C ATOM 1093 C CYS A 73 -5.471 -7.262 -1.055 1.00 61.24 C ATOM 1094 O CYS A 73 -5.196 -8.421 -0.733 1.00 33.32 O ATOM 1095 CB CYS A 73 -3.895 -5.371 -0.551 1.00 43.04 C ATOM 1096 SG CYS A 73 -2.403 -4.454 -1.001 1.00 73.23 S ATOM 0 H CYS A 73 -4.912 -4.575 -2.678 1.00 71.53 H new ATOM 0 HA CYS A 73 -3.566 -6.954 -1.978 1.00 22.31 H new ATOM 0 HB2 CYS A 73 -4.688 -4.660 -0.319 1.00 43.04 H new ATOM 0 HB3 CYS A 73 -3.699 -5.938 0.359 1.00 43.04 H new ATOM 0 HG CYS A 73 -2.716 -3.486 -1.810 1.00 73.23 H new ATOM 1102 N SER A 74 -6.697 -6.754 -0.928 1.00 60.22 N ATOM 1103 CA SER A 74 -7.814 -7.542 -0.378 1.00 21.50 C ATOM 1104 C SER A 74 -8.153 -8.745 -1.272 1.00 72.13 C ATOM 1105 O SER A 74 -8.667 -9.759 -0.797 1.00 4.23 O ATOM 1106 CB SER A 74 -9.059 -6.663 -0.202 1.00 1.43 C ATOM 1107 OG SER A 74 -9.501 -6.138 -1.443 1.00 11.34 O ATOM 0 H SER A 74 -6.947 -5.802 -1.196 1.00 60.22 H new ATOM 0 HA SER A 74 -7.497 -7.918 0.595 1.00 21.50 H new ATOM 0 HB2 SER A 74 -9.858 -7.248 0.253 1.00 1.43 H new ATOM 0 HB3 SER A 74 -8.835 -5.844 0.482 1.00 1.43 H new ATOM 0 HG SER A 74 -8.804 -6.268 -2.120 1.00 11.34 H new ATOM 1113 N GLY A 75 -7.878 -8.619 -2.569 1.00 1.54 N ATOM 1114 CA GLY A 75 -8.070 -9.735 -3.490 1.00 34.43 C ATOM 1115 C GLY A 75 -6.862 -10.674 -3.549 1.00 53.34 C ATOM 1116 O GLY A 75 -7.011 -11.895 -3.548 1.00 53.41 O ATOM 0 H GLY A 75 -7.525 -7.765 -3.001 1.00 1.54 H new ATOM 0 HA2 GLY A 75 -8.950 -10.302 -3.187 1.00 34.43 H new ATOM 0 HA3 GLY A 75 -8.270 -9.345 -4.488 1.00 34.43 H new ATOM 1120 N TYR A 76 -5.663 -10.096 -3.584 1.00 31.31 N ATOM 1121 CA TYR A 76 -4.416 -10.870 -3.688 1.00 43.12 C ATOM 1122 C TYR A 76 -4.206 -11.778 -2.464 1.00 64.24 C ATOM 1123 O TYR A 76 -3.717 -12.905 -2.588 1.00 12.11 O ATOM 1124 CB TYR A 76 -3.222 -9.914 -3.843 1.00 55.51 C ATOM 1125 CG TYR A 76 -1.923 -10.593 -4.243 1.00 43.32 C ATOM 1126 CD1 TYR A 76 -1.642 -10.854 -5.581 1.00 22.13 C ATOM 1127 CD2 TYR A 76 -0.977 -10.965 -3.291 1.00 44.02 C ATOM 1128 CE1 TYR A 76 -0.461 -11.467 -5.958 1.00 14.24 C ATOM 1129 CE2 TYR A 76 0.205 -11.576 -3.661 1.00 23.33 C ATOM 1130 CZ TYR A 76 0.458 -11.825 -4.995 1.00 74.30 C ATOM 1131 OH TYR A 76 1.636 -12.435 -5.366 1.00 70.23 O ATOM 0 H TYR A 76 -5.523 -9.087 -3.542 1.00 31.31 H new ATOM 0 HA TYR A 76 -4.491 -11.510 -4.567 1.00 43.12 H new ATOM 0 HB2 TYR A 76 -3.470 -9.161 -4.591 1.00 55.51 H new ATOM 0 HB3 TYR A 76 -3.068 -9.388 -2.901 1.00 55.51 H new ATOM 0 HD1 TYR A 76 -2.359 -10.573 -6.338 1.00 22.13 H new ATOM 0 HD2 TYR A 76 -1.171 -10.772 -2.246 1.00 44.02 H new ATOM 0 HE1 TYR A 76 -0.260 -11.664 -7.001 1.00 14.24 H new ATOM 0 HE2 TYR A 76 0.928 -11.858 -2.910 1.00 23.33 H new ATOM 0 HH TYR A 76 2.174 -12.621 -4.568 1.00 70.23 H new ATOM 1141 N VAL A 77 -4.586 -11.285 -1.284 1.00 11.53 N ATOM 1142 CA VAL A 77 -4.410 -12.037 -0.034 1.00 44.23 C ATOM 1143 C VAL A 77 -5.148 -13.392 -0.064 1.00 24.15 C ATOM 1144 O VAL A 77 -4.737 -14.350 0.594 1.00 51.12 O ATOM 1145 CB VAL A 77 -4.875 -11.208 1.196 1.00 53.12 C ATOM 1146 CG1 VAL A 77 -6.389 -11.006 1.193 1.00 40.40 C ATOM 1147 CG2 VAL A 77 -4.414 -11.859 2.500 1.00 44.31 C ATOM 0 H VAL A 77 -5.018 -10.369 -1.165 1.00 11.53 H new ATOM 0 HA VAL A 77 -3.342 -12.236 0.060 1.00 44.23 H new ATOM 0 HB VAL A 77 -4.411 -10.224 1.125 1.00 53.12 H new ATOM 0 HG11 VAL A 77 -6.680 -10.423 2.067 1.00 40.40 H new ATOM 0 HG12 VAL A 77 -6.683 -10.475 0.288 1.00 40.40 H new ATOM 0 HG13 VAL A 77 -6.886 -11.976 1.223 1.00 40.40 H new ATOM 0 HG21 VAL A 77 -4.752 -11.260 3.345 1.00 44.31 H new ATOM 0 HG22 VAL A 77 -4.835 -12.862 2.575 1.00 44.31 H new ATOM 0 HG23 VAL A 77 -3.326 -11.921 2.511 1.00 44.31 H new ATOM 1157 N ASP A 78 -6.226 -13.469 -0.849 1.00 2.03 N ATOM 1158 CA ASP A 78 -6.989 -14.710 -1.018 1.00 75.41 C ATOM 1159 C ASP A 78 -6.098 -15.837 -1.577 1.00 23.43 C ATOM 1160 O ASP A 78 -6.244 -17.007 -1.210 1.00 3.14 O ATOM 1161 CB ASP A 78 -8.184 -14.455 -1.950 1.00 60.41 C ATOM 1162 CG ASP A 78 -9.054 -15.686 -2.150 1.00 45.03 C ATOM 1163 OD1 ASP A 78 -8.784 -16.476 -3.077 1.00 24.11 O ATOM 1164 OD2 ASP A 78 -10.017 -15.875 -1.380 1.00 12.12 O ATOM 0 H ASP A 78 -6.593 -12.680 -1.382 1.00 2.03 H new ATOM 0 HA ASP A 78 -7.355 -15.031 -0.043 1.00 75.41 H new ATOM 0 HB2 ASP A 78 -8.793 -13.649 -1.539 1.00 60.41 H new ATOM 0 HB3 ASP A 78 -7.817 -14.115 -2.918 1.00 60.41 H new ATOM 1169 N CYS A 79 -5.158 -15.467 -2.445 1.00 72.35 N ATOM 1170 CA CYS A 79 -4.278 -16.437 -3.110 1.00 73.01 C ATOM 1171 C CYS A 79 -2.990 -16.705 -2.314 1.00 74.35 C ATOM 1172 O CYS A 79 -2.093 -17.387 -2.803 1.00 72.32 O ATOM 1173 CB CYS A 79 -3.913 -15.946 -4.517 1.00 61.32 C ATOM 1174 SG CYS A 79 -5.340 -15.702 -5.600 1.00 73.25 S ATOM 0 H CYS A 79 -4.983 -14.497 -2.708 1.00 72.35 H new ATOM 0 HA CYS A 79 -4.832 -17.374 -3.172 1.00 73.01 H new ATOM 0 HB2 CYS A 79 -3.368 -15.006 -4.433 1.00 61.32 H new ATOM 0 HB3 CYS A 79 -3.238 -16.666 -4.979 1.00 61.32 H new ATOM 0 HG CYS A 79 -4.936 -15.286 -6.763 1.00 73.25 H new ATOM 1180 N ILE A 80 -2.893 -16.162 -1.098 1.00 22.11 N ATOM 1181 CA ILE A 80 -1.714 -16.380 -0.249 1.00 63.53 C ATOM 1182 C ILE A 80 -1.928 -17.550 0.730 1.00 0.22 C ATOM 1183 O ILE A 80 -2.651 -17.415 1.720 1.00 30.00 O ATOM 1184 CB ILE A 80 -1.354 -15.112 0.572 1.00 22.32 C ATOM 1185 CG1 ILE A 80 -1.080 -13.919 -0.358 1.00 64.53 C ATOM 1186 CG2 ILE A 80 -0.143 -15.377 1.473 1.00 64.44 C ATOM 1187 CD1 ILE A 80 -0.738 -12.640 0.380 1.00 50.21 C ATOM 0 H ILE A 80 -3.611 -15.571 -0.679 1.00 22.11 H new ATOM 0 HA ILE A 80 -0.894 -16.617 -0.927 1.00 63.53 H new ATOM 0 HB ILE A 80 -2.207 -14.865 1.204 1.00 22.32 H new ATOM 0 HG12 ILE A 80 -0.259 -14.173 -1.028 1.00 64.53 H new ATOM 0 HG13 ILE A 80 -1.958 -13.746 -0.981 1.00 64.53 H new ATOM 0 HG21 ILE A 80 0.093 -14.476 2.040 1.00 64.44 H new ATOM 0 HG22 ILE A 80 -0.373 -16.189 2.162 1.00 64.44 H new ATOM 0 HG23 ILE A 80 0.714 -15.654 0.859 1.00 64.44 H new ATOM 0 HD11 ILE A 80 -0.557 -11.842 -0.340 1.00 50.21 H new ATOM 0 HD12 ILE A 80 -1.568 -12.362 1.030 1.00 50.21 H new ATOM 0 HD13 ILE A 80 0.158 -12.795 0.982 1.00 50.21 H new ATOM 1199 N PRO A 81 -1.323 -18.725 0.456 1.00 45.21 N ATOM 1200 CA PRO A 81 -1.329 -19.852 1.399 1.00 52.50 C ATOM 1201 C PRO A 81 -0.274 -19.696 2.514 1.00 64.42 C ATOM 1202 O PRO A 81 -0.411 -20.266 3.600 1.00 53.01 O ATOM 1203 CB PRO A 81 -1.009 -21.053 0.500 1.00 64.03 C ATOM 1204 CG PRO A 81 -0.166 -20.491 -0.596 1.00 11.10 C ATOM 1205 CD PRO A 81 -0.631 -19.068 -0.806 1.00 75.34 C ATOM 0 HA PRO A 81 -2.275 -19.942 1.932 1.00 52.50 H new ATOM 0 HB2 PRO A 81 -0.477 -21.829 1.050 1.00 64.03 H new ATOM 0 HB3 PRO A 81 -1.919 -21.507 0.107 1.00 64.03 H new ATOM 0 HG2 PRO A 81 0.890 -20.519 -0.327 1.00 11.10 H new ATOM 0 HG3 PRO A 81 -0.277 -21.075 -1.510 1.00 11.10 H new ATOM 0 HD2 PRO A 81 0.208 -18.398 -0.995 1.00 75.34 H new ATOM 0 HD3 PRO A 81 -1.301 -18.990 -1.662 1.00 75.34 H new ATOM 1213 N GLN A 82 0.784 -18.920 2.243 1.00 21.40 N ATOM 1214 CA GLN A 82 1.827 -18.653 3.245 1.00 42.33 C ATOM 1215 C GLN A 82 1.271 -17.799 4.394 1.00 60.33 C ATOM 1216 O GLN A 82 1.146 -16.583 4.262 1.00 4.34 O ATOM 1217 CB GLN A 82 3.034 -17.926 2.616 1.00 63.55 C ATOM 1218 CG GLN A 82 3.809 -18.734 1.575 1.00 60.42 C ATOM 1219 CD GLN A 82 3.056 -18.927 0.270 1.00 4.53 C ATOM 1220 OE1 GLN A 82 2.239 -18.100 -0.121 1.00 10.44 O ATOM 1221 NE2 GLN A 82 3.332 -20.013 -0.419 1.00 43.21 N ATOM 0 H GLN A 82 0.941 -18.467 1.342 1.00 21.40 H new ATOM 0 HA GLN A 82 2.156 -19.617 3.633 1.00 42.33 H new ATOM 0 HB2 GLN A 82 2.681 -17.006 2.150 1.00 63.55 H new ATOM 0 HB3 GLN A 82 3.720 -17.637 3.413 1.00 63.55 H new ATOM 0 HG2 GLN A 82 4.754 -18.232 1.368 1.00 60.42 H new ATOM 0 HG3 GLN A 82 4.051 -19.711 1.993 1.00 60.42 H new ATOM 0 HE21 GLN A 82 4.017 -20.681 -0.065 1.00 43.21 H new ATOM 0 HE22 GLN A 82 2.861 -20.187 -1.307 1.00 43.21 H new ATOM 1230 N THR A 83 0.941 -18.431 5.518 1.00 1.31 N ATOM 1231 CA THR A 83 0.350 -17.713 6.656 1.00 24.12 C ATOM 1232 C THR A 83 1.314 -16.658 7.223 1.00 62.31 C ATOM 1233 O THR A 83 0.891 -15.567 7.610 1.00 62.44 O ATOM 1234 CB THR A 83 -0.064 -18.672 7.797 1.00 54.12 C ATOM 1235 OG1 THR A 83 -0.850 -19.762 7.282 1.00 3.42 O ATOM 1236 CG2 THR A 83 -0.869 -17.929 8.863 1.00 71.31 C ATOM 0 H THR A 83 1.070 -19.431 5.670 1.00 1.31 H new ATOM 0 HA THR A 83 -0.541 -17.219 6.268 1.00 24.12 H new ATOM 0 HB THR A 83 0.847 -19.066 8.247 1.00 54.12 H new ATOM 0 HG1 THR A 83 -1.102 -20.360 8.017 1.00 3.42 H new ATOM 0 HG21 THR A 83 -1.150 -18.622 9.656 1.00 71.31 H new ATOM 0 HG22 THR A 83 -0.264 -17.125 9.282 1.00 71.31 H new ATOM 0 HG23 THR A 83 -1.768 -17.509 8.413 1.00 71.31 H new ATOM 1244 N ARG A 84 2.607 -16.990 7.269 1.00 53.10 N ATOM 1245 CA ARG A 84 3.632 -16.046 7.744 1.00 54.13 C ATOM 1246 C ARG A 84 3.599 -14.737 6.938 1.00 1.24 C ATOM 1247 O ARG A 84 3.574 -13.642 7.503 1.00 2.15 O ATOM 1248 CB ARG A 84 5.031 -16.674 7.650 1.00 24.22 C ATOM 1249 CG ARG A 84 5.203 -17.984 8.420 1.00 21.13 C ATOM 1250 CD ARG A 84 5.047 -17.815 9.934 1.00 43.25 C ATOM 1251 NE ARG A 84 3.661 -17.575 10.342 1.00 25.41 N ATOM 1252 CZ ARG A 84 2.796 -18.518 10.598 1.00 4.35 C ATOM 1253 NH1 ARG A 84 3.113 -19.766 10.446 1.00 53.14 N ATOM 1254 NH2 ARG A 84 1.605 -18.213 10.995 1.00 52.12 N ATOM 0 H ARG A 84 2.971 -17.900 6.986 1.00 53.10 H new ATOM 0 HA ARG A 84 3.411 -15.818 8.787 1.00 54.13 H new ATOM 0 HB2 ARG A 84 5.263 -16.854 6.600 1.00 24.22 H new ATOM 0 HB3 ARG A 84 5.762 -15.954 8.019 1.00 24.22 H new ATOM 0 HG2 ARG A 84 4.469 -18.707 8.064 1.00 21.13 H new ATOM 0 HG3 ARG A 84 6.188 -18.398 8.206 1.00 21.13 H new ATOM 0 HD2 ARG A 84 5.418 -18.710 10.434 1.00 43.25 H new ATOM 0 HD3 ARG A 84 5.668 -16.983 10.267 1.00 43.25 H new ATOM 0 HE ARG A 84 3.352 -16.607 10.432 1.00 25.41 H new ATOM 0 HH11 ARG A 84 4.047 -20.019 10.123 1.00 53.14 H new ATOM 0 HH12 ARG A 84 2.429 -20.494 10.649 1.00 53.14 H new ATOM 0 HH21 ARG A 84 1.340 -17.235 11.109 1.00 52.12 H new ATOM 0 HH22 ARG A 84 0.929 -18.951 11.195 1.00 52.12 H new ATOM 1268 N ASN A 85 3.607 -14.864 5.610 1.00 53.40 N ATOM 1269 CA ASN A 85 3.505 -13.703 4.719 1.00 33.42 C ATOM 1270 C ASN A 85 2.138 -13.026 4.838 1.00 33.01 C ATOM 1271 O ASN A 85 2.049 -11.806 4.903 1.00 1.14 O ATOM 1272 CB ASN A 85 3.741 -14.109 3.260 1.00 53.50 C ATOM 1273 CG ASN A 85 5.156 -14.587 3.002 1.00 42.31 C ATOM 1274 OD1 ASN A 85 5.788 -15.199 3.854 1.00 61.34 O ATOM 1275 ND2 ASN A 85 5.667 -14.303 1.825 1.00 22.41 N ATOM 0 H ASN A 85 3.683 -15.759 5.126 1.00 53.40 H new ATOM 0 HA ASN A 85 4.276 -12.996 5.026 1.00 33.42 H new ATOM 0 HB2 ASN A 85 3.041 -14.900 2.991 1.00 53.50 H new ATOM 0 HB3 ASN A 85 3.526 -13.259 2.612 1.00 53.50 H new ATOM 0 HD21 ASN A 85 6.618 -14.594 1.598 1.00 22.41 H new ATOM 0 HD22 ASN A 85 5.113 -13.792 1.138 1.00 22.41 H new ATOM 1282 N LYS A 86 1.076 -13.829 4.862 1.00 25.04 N ATOM 1283 CA LYS A 86 -0.290 -13.306 4.950 1.00 65.23 C ATOM 1284 C LYS A 86 -0.456 -12.397 6.179 1.00 42.22 C ATOM 1285 O LYS A 86 -1.101 -11.353 6.108 1.00 5.14 O ATOM 1286 CB LYS A 86 -1.299 -14.460 5.023 1.00 75.03 C ATOM 1287 CG LYS A 86 -2.745 -14.028 4.786 1.00 14.44 C ATOM 1288 CD LYS A 86 -3.740 -15.133 5.134 1.00 4.22 C ATOM 1289 CE LYS A 86 -3.776 -15.403 6.635 1.00 45.43 C ATOM 1290 NZ LYS A 86 -4.801 -16.414 6.996 1.00 4.14 N ATOM 0 H LYS A 86 1.133 -14.847 4.822 1.00 25.04 H new ATOM 0 HA LYS A 86 -0.480 -12.716 4.053 1.00 65.23 H new ATOM 0 HB2 LYS A 86 -1.029 -15.214 4.284 1.00 75.03 H new ATOM 0 HB3 LYS A 86 -1.226 -14.933 6.002 1.00 75.03 H new ATOM 0 HG2 LYS A 86 -2.962 -13.144 5.386 1.00 14.44 H new ATOM 0 HG3 LYS A 86 -2.871 -13.743 3.741 1.00 14.44 H new ATOM 0 HD2 LYS A 86 -4.735 -14.849 4.791 1.00 4.22 H new ATOM 0 HD3 LYS A 86 -3.469 -16.047 4.606 1.00 4.22 H new ATOM 0 HE2 LYS A 86 -2.796 -15.748 6.965 1.00 45.43 H new ATOM 0 HE3 LYS A 86 -3.982 -14.473 7.165 1.00 45.43 H new ATOM 0 HZ1 LYS A 86 -4.791 -16.567 8.025 1.00 4.14 H new ATOM 0 HZ2 LYS A 86 -5.740 -16.075 6.706 1.00 4.14 H new ATOM 0 HZ3 LYS A 86 -4.591 -17.310 6.511 1.00 4.14 H new ATOM 1304 N PHE A 87 0.138 -12.808 7.298 1.00 1.14 N ATOM 1305 CA PHE A 87 0.114 -12.021 8.537 1.00 41.35 C ATOM 1306 C PHE A 87 0.749 -10.639 8.322 1.00 30.04 C ATOM 1307 O PHE A 87 0.135 -9.603 8.600 1.00 64.41 O ATOM 1308 CB PHE A 87 0.866 -12.786 9.637 1.00 11.21 C ATOM 1309 CG PHE A 87 0.770 -12.166 11.011 1.00 31.22 C ATOM 1310 CD1 PHE A 87 -0.254 -12.526 11.876 1.00 40.33 C ATOM 1311 CD2 PHE A 87 1.706 -11.234 11.441 1.00 45.21 C ATOM 1312 CE1 PHE A 87 -0.345 -11.970 13.137 1.00 25.25 C ATOM 1313 CE2 PHE A 87 1.620 -10.677 12.703 1.00 32.12 C ATOM 1314 CZ PHE A 87 0.593 -11.046 13.551 1.00 23.44 C ATOM 0 H PHE A 87 0.647 -13.689 7.375 1.00 1.14 H new ATOM 0 HA PHE A 87 -0.922 -11.870 8.839 1.00 41.35 H new ATOM 0 HB2 PHE A 87 0.478 -13.804 9.684 1.00 11.21 H new ATOM 0 HB3 PHE A 87 1.917 -12.858 9.358 1.00 11.21 H new ATOM 0 HD1 PHE A 87 -0.989 -13.251 11.559 1.00 40.33 H new ATOM 0 HD2 PHE A 87 2.510 -10.941 10.782 1.00 45.21 H new ATOM 0 HE1 PHE A 87 -1.149 -12.258 13.798 1.00 25.25 H new ATOM 0 HE2 PHE A 87 2.355 -9.954 13.026 1.00 32.12 H new ATOM 0 HZ PHE A 87 0.524 -10.611 14.537 1.00 23.44 H new ATOM 1324 N ALA A 88 1.981 -10.636 7.808 1.00 53.12 N ATOM 1325 CA ALA A 88 2.707 -9.395 7.515 1.00 50.54 C ATOM 1326 C ALA A 88 1.975 -8.550 6.459 1.00 20.44 C ATOM 1327 O ALA A 88 1.945 -7.323 6.534 1.00 45.12 O ATOM 1328 CB ALA A 88 4.126 -9.715 7.054 1.00 0.42 C ATOM 0 H ALA A 88 2.501 -11.485 7.584 1.00 53.12 H new ATOM 0 HA ALA A 88 2.754 -8.807 8.432 1.00 50.54 H new ATOM 0 HB1 ALA A 88 4.657 -8.787 6.839 1.00 0.42 H new ATOM 0 HB2 ALA A 88 4.650 -10.259 7.840 1.00 0.42 H new ATOM 0 HB3 ALA A 88 4.086 -10.328 6.153 1.00 0.42 H new ATOM 1334 N PHE A 89 1.377 -9.229 5.488 1.00 40.20 N ATOM 1335 CA PHE A 89 0.628 -8.575 4.412 1.00 61.12 C ATOM 1336 C PHE A 89 -0.624 -7.869 4.964 1.00 12.45 C ATOM 1337 O PHE A 89 -0.881 -6.704 4.664 1.00 3.13 O ATOM 1338 CB PHE A 89 0.234 -9.624 3.359 1.00 4.43 C ATOM 1339 CG PHE A 89 -0.365 -9.058 2.096 1.00 2.33 C ATOM 1340 CD1 PHE A 89 0.452 -8.637 1.056 1.00 34.44 C ATOM 1341 CD2 PHE A 89 -1.742 -8.957 1.942 1.00 21.44 C ATOM 1342 CE1 PHE A 89 -0.091 -8.125 -0.107 1.00 65.41 C ATOM 1343 CE2 PHE A 89 -2.287 -8.446 0.781 1.00 22.41 C ATOM 1344 CZ PHE A 89 -1.461 -8.030 -0.245 1.00 65.42 C ATOM 0 H PHE A 89 1.395 -10.247 5.420 1.00 40.20 H new ATOM 0 HA PHE A 89 1.260 -7.816 3.950 1.00 61.12 H new ATOM 0 HB2 PHE A 89 1.118 -10.205 3.097 1.00 4.43 H new ATOM 0 HB3 PHE A 89 -0.481 -10.316 3.805 1.00 4.43 H new ATOM 0 HD1 PHE A 89 1.525 -8.710 1.157 1.00 34.44 H new ATOM 0 HD2 PHE A 89 -2.394 -9.282 2.740 1.00 21.44 H new ATOM 0 HE1 PHE A 89 0.556 -7.799 -0.908 1.00 65.41 H new ATOM 0 HE2 PHE A 89 -3.359 -8.372 0.675 1.00 22.41 H new ATOM 0 HZ PHE A 89 -1.887 -7.631 -1.154 1.00 65.42 H new ATOM 1354 N ARG A 90 -1.392 -8.585 5.784 1.00 2.32 N ATOM 1355 CA ARG A 90 -2.616 -8.042 6.384 1.00 71.41 C ATOM 1356 C ARG A 90 -2.319 -6.868 7.330 1.00 34.42 C ATOM 1357 O ARG A 90 -3.040 -5.866 7.333 1.00 63.31 O ATOM 1358 CB ARG A 90 -3.374 -9.150 7.137 1.00 51.23 C ATOM 1359 CG ARG A 90 -3.952 -10.250 6.242 1.00 3.54 C ATOM 1360 CD ARG A 90 -5.205 -9.799 5.490 1.00 71.24 C ATOM 1361 NE ARG A 90 -4.940 -8.722 4.532 1.00 3.45 N ATOM 1362 CZ ARG A 90 -5.867 -7.940 4.037 1.00 31.34 C ATOM 1363 NH1 ARG A 90 -7.107 -8.097 4.361 1.00 71.54 N ATOM 1364 NH2 ARG A 90 -5.551 -7.000 3.207 1.00 22.31 N ATOM 0 H ARG A 90 -1.189 -9.548 6.051 1.00 2.32 H new ATOM 0 HA ARG A 90 -3.239 -7.663 5.574 1.00 71.41 H new ATOM 0 HB2 ARG A 90 -2.699 -9.606 7.861 1.00 51.23 H new ATOM 0 HB3 ARG A 90 -4.187 -8.695 7.703 1.00 51.23 H new ATOM 0 HG2 ARG A 90 -3.195 -10.564 5.523 1.00 3.54 H new ATOM 0 HG3 ARG A 90 -4.193 -11.121 6.852 1.00 3.54 H new ATOM 0 HD2 ARG A 90 -5.632 -10.651 4.961 1.00 71.24 H new ATOM 0 HD3 ARG A 90 -5.952 -9.463 6.209 1.00 71.24 H new ATOM 0 HE ARG A 90 -3.976 -8.572 4.233 1.00 3.45 H new ATOM 0 HH11 ARG A 90 -7.375 -8.837 5.010 1.00 71.54 H new ATOM 0 HH12 ARG A 90 -7.819 -7.481 3.968 1.00 71.54 H new ATOM 0 HH21 ARG A 90 -4.577 -6.865 2.936 1.00 22.31 H new ATOM 0 HH22 ARG A 90 -6.276 -6.393 2.824 1.00 22.31 H new ATOM 1378 N GLU A 91 -1.259 -6.986 8.132 1.00 44.12 N ATOM 1379 CA GLU A 91 -0.896 -5.920 9.070 1.00 64.51 C ATOM 1380 C GLU A 91 -0.328 -4.698 8.325 1.00 33.52 C ATOM 1381 O GLU A 91 -0.646 -3.559 8.661 1.00 52.21 O ATOM 1382 CB GLU A 91 0.099 -6.432 10.128 1.00 35.12 C ATOM 1383 CG GLU A 91 1.516 -6.683 9.614 1.00 51.23 C ATOM 1384 CD GLU A 91 2.455 -7.232 10.684 1.00 22.45 C ATOM 1385 OE1 GLU A 91 2.224 -6.958 11.881 1.00 5.44 O ATOM 1386 OE2 GLU A 91 3.426 -7.931 10.332 1.00 23.15 O ATOM 0 H GLU A 91 -0.643 -7.799 8.152 1.00 44.12 H new ATOM 0 HA GLU A 91 -1.803 -5.605 9.586 1.00 64.51 H new ATOM 0 HB2 GLU A 91 0.147 -5.707 10.941 1.00 35.12 H new ATOM 0 HB3 GLU A 91 -0.288 -7.360 10.550 1.00 35.12 H new ATOM 0 HG2 GLU A 91 1.474 -7.385 8.781 1.00 51.23 H new ATOM 0 HG3 GLU A 91 1.925 -5.751 9.225 1.00 51.23 H new ATOM 1393 N ALA A 92 0.489 -4.942 7.298 1.00 0.22 N ATOM 1394 CA ALA A 92 1.053 -3.858 6.483 1.00 65.24 C ATOM 1395 C ALA A 92 -0.049 -3.061 5.767 1.00 72.53 C ATOM 1396 O ALA A 92 -0.045 -1.829 5.776 1.00 5.44 O ATOM 1397 CB ALA A 92 2.046 -4.418 5.469 1.00 34.13 C ATOM 0 H ALA A 92 0.776 -5.877 7.010 1.00 0.22 H new ATOM 0 HA ALA A 92 1.577 -3.176 7.153 1.00 65.24 H new ATOM 0 HB1 ALA A 92 2.456 -3.603 4.872 1.00 34.13 H new ATOM 0 HB2 ALA A 92 2.855 -4.925 5.994 1.00 34.13 H new ATOM 0 HB3 ALA A 92 1.538 -5.126 4.815 1.00 34.13 H new ATOM 1403 N VAL A 93 -0.991 -3.775 5.152 1.00 2.10 N ATOM 1404 CA VAL A 93 -2.140 -3.140 4.494 1.00 32.15 C ATOM 1405 C VAL A 93 -2.951 -2.282 5.483 1.00 74.12 C ATOM 1406 O VAL A 93 -3.480 -1.229 5.117 1.00 25.11 O ATOM 1407 CB VAL A 93 -3.062 -4.200 3.832 1.00 32.40 C ATOM 1408 CG1 VAL A 93 -4.355 -3.572 3.320 1.00 3.23 C ATOM 1409 CG2 VAL A 93 -2.333 -4.905 2.689 1.00 65.42 C ATOM 0 H VAL A 93 -0.984 -4.793 5.094 1.00 2.10 H new ATOM 0 HA VAL A 93 -1.744 -2.487 3.716 1.00 32.15 H new ATOM 0 HB VAL A 93 -3.321 -4.934 4.595 1.00 32.40 H new ATOM 0 HG11 VAL A 93 -4.977 -4.341 2.863 1.00 3.23 H new ATOM 0 HG12 VAL A 93 -4.893 -3.117 4.152 1.00 3.23 H new ATOM 0 HG13 VAL A 93 -4.120 -2.808 2.579 1.00 3.23 H new ATOM 0 HG21 VAL A 93 -2.994 -5.644 2.237 1.00 65.42 H new ATOM 0 HG22 VAL A 93 -2.040 -4.172 1.937 1.00 65.42 H new ATOM 0 HG23 VAL A 93 -1.444 -5.402 3.076 1.00 65.42 H new ATOM 1419 N SER A 94 -3.034 -2.731 6.737 1.00 2.24 N ATOM 1420 CA SER A 94 -3.704 -1.957 7.793 1.00 21.34 C ATOM 1421 C SER A 94 -3.071 -0.565 7.948 1.00 70.11 C ATOM 1422 O SER A 94 -3.764 0.448 7.933 1.00 52.15 O ATOM 1423 CB SER A 94 -3.653 -2.701 9.135 1.00 74.34 C ATOM 1424 OG SER A 94 -4.300 -1.961 10.158 1.00 1.31 O ATOM 0 H SER A 94 -2.648 -3.622 7.049 1.00 2.24 H new ATOM 0 HA SER A 94 -4.746 -1.835 7.496 1.00 21.34 H new ATOM 0 HB2 SER A 94 -4.129 -3.676 9.031 1.00 74.34 H new ATOM 0 HB3 SER A 94 -2.615 -2.881 9.414 1.00 74.34 H new ATOM 0 HG SER A 94 -4.254 -2.459 11.001 1.00 1.31 H new ATOM 1430 N LYS A 95 -1.746 -0.518 8.076 1.00 25.21 N ATOM 1431 CA LYS A 95 -1.031 0.763 8.171 1.00 21.34 C ATOM 1432 C LYS A 95 -1.281 1.630 6.928 1.00 12.33 C ATOM 1433 O LYS A 95 -1.382 2.854 7.024 1.00 75.43 O ATOM 1434 CB LYS A 95 0.481 0.547 8.365 1.00 64.11 C ATOM 1435 CG LYS A 95 0.892 0.154 9.786 1.00 64.52 C ATOM 1436 CD LYS A 95 0.308 -1.190 10.213 1.00 10.23 C ATOM 1437 CE LYS A 95 0.720 -1.564 11.632 1.00 21.35 C ATOM 1438 NZ LYS A 95 2.193 -1.703 11.770 1.00 62.13 N ATOM 0 H LYS A 95 -1.146 -1.342 8.117 1.00 25.21 H new ATOM 0 HA LYS A 95 -1.420 1.286 9.045 1.00 21.34 H new ATOM 0 HB2 LYS A 95 0.815 -0.229 7.677 1.00 64.11 H new ATOM 0 HB3 LYS A 95 1.004 1.463 8.090 1.00 64.11 H new ATOM 0 HG2 LYS A 95 1.979 0.110 9.847 1.00 64.52 H new ATOM 0 HG3 LYS A 95 0.565 0.926 10.482 1.00 64.52 H new ATOM 0 HD2 LYS A 95 -0.779 -1.150 10.149 1.00 10.23 H new ATOM 0 HD3 LYS A 95 0.639 -1.966 9.522 1.00 10.23 H new ATOM 0 HE2 LYS A 95 0.362 -0.803 12.325 1.00 21.35 H new ATOM 0 HE3 LYS A 95 0.240 -2.502 11.913 1.00 21.35 H new ATOM 0 HZ1 LYS A 95 2.416 -2.151 12.682 1.00 62.13 H new ATOM 0 HZ2 LYS A 95 2.560 -2.293 10.996 1.00 62.13 H new ATOM 0 HZ3 LYS A 95 2.636 -0.763 11.729 1.00 62.13 H new ATOM 1452 N LEU A 96 -1.399 0.988 5.765 1.00 71.15 N ATOM 1453 CA LEU A 96 -1.646 1.701 4.511 1.00 43.32 C ATOM 1454 C LEU A 96 -3.016 2.403 4.520 1.00 32.05 C ATOM 1455 O LEU A 96 -3.104 3.606 4.271 1.00 10.02 O ATOM 1456 CB LEU A 96 -1.564 0.730 3.322 1.00 43.05 C ATOM 1457 CG LEU A 96 -1.738 1.372 1.933 1.00 35.22 C ATOM 1458 CD1 LEU A 96 -0.607 2.357 1.641 1.00 14.40 C ATOM 1459 CD2 LEU A 96 -1.821 0.297 0.848 1.00 62.43 C ATOM 0 H LEU A 96 -1.328 -0.025 5.665 1.00 71.15 H new ATOM 0 HA LEU A 96 -0.876 2.465 4.408 1.00 43.32 H new ATOM 0 HB2 LEU A 96 -0.598 0.226 3.352 1.00 43.05 H new ATOM 0 HB3 LEU A 96 -2.328 -0.037 3.448 1.00 43.05 H new ATOM 0 HG LEU A 96 -2.675 1.929 1.931 1.00 35.22 H new ATOM 0 HD11 LEU A 96 -0.753 2.797 0.654 1.00 14.40 H new ATOM 0 HD12 LEU A 96 -0.608 3.146 2.393 1.00 14.40 H new ATOM 0 HD13 LEU A 96 0.348 1.832 1.667 1.00 14.40 H new ATOM 0 HD21 LEU A 96 -1.944 0.771 -0.126 1.00 62.43 H new ATOM 0 HD22 LEU A 96 -0.905 -0.294 0.851 1.00 62.43 H new ATOM 0 HD23 LEU A 96 -2.673 -0.353 1.045 1.00 62.43 H new ATOM 1471 N GLU A 97 -4.082 1.658 4.834 1.00 51.41 N ATOM 1472 CA GLU A 97 -5.440 2.227 4.843 1.00 20.21 C ATOM 1473 C GLU A 97 -5.581 3.334 5.904 1.00 24.43 C ATOM 1474 O GLU A 97 -6.192 4.376 5.648 1.00 60.43 O ATOM 1475 CB GLU A 97 -6.496 1.128 5.065 1.00 3.14 C ATOM 1476 CG GLU A 97 -6.311 0.333 6.351 1.00 62.52 C ATOM 1477 CD GLU A 97 -7.374 -0.737 6.557 1.00 33.00 C ATOM 1478 OE1 GLU A 97 -8.486 -0.396 7.019 1.00 61.24 O ATOM 1479 OE2 GLU A 97 -7.107 -1.922 6.272 1.00 35.11 O ATOM 0 H GLU A 97 -4.035 0.670 5.083 1.00 51.41 H new ATOM 0 HA GLU A 97 -5.612 2.677 3.865 1.00 20.21 H new ATOM 0 HB2 GLU A 97 -7.485 1.587 5.074 1.00 3.14 H new ATOM 0 HB3 GLU A 97 -6.471 0.440 4.220 1.00 3.14 H new ATOM 0 HG2 GLU A 97 -5.328 -0.139 6.340 1.00 62.52 H new ATOM 0 HG3 GLU A 97 -6.326 1.018 7.199 1.00 62.52 H new ATOM 1486 N LEU A 98 -5.004 3.114 7.087 1.00 64.30 N ATOM 1487 CA LEU A 98 -4.999 4.135 8.145 1.00 4.04 C ATOM 1488 C LEU A 98 -4.251 5.401 7.693 1.00 62.22 C ATOM 1489 O LEU A 98 -4.760 6.517 7.823 1.00 5.10 O ATOM 1490 CB LEU A 98 -4.370 3.581 9.440 1.00 54.01 C ATOM 1491 CG LEU A 98 -5.325 2.810 10.377 1.00 22.44 C ATOM 1492 CD1 LEU A 98 -6.444 3.719 10.879 1.00 73.35 C ATOM 1493 CD2 LEU A 98 -5.908 1.580 9.688 1.00 12.14 C ATOM 0 H LEU A 98 -4.536 2.244 7.339 1.00 64.30 H new ATOM 0 HA LEU A 98 -6.036 4.403 8.347 1.00 4.04 H new ATOM 0 HB2 LEU A 98 -3.547 2.920 9.167 1.00 54.01 H new ATOM 0 HB3 LEU A 98 -3.939 4.413 9.997 1.00 54.01 H new ATOM 0 HG LEU A 98 -4.742 2.471 11.233 1.00 22.44 H new ATOM 0 HD11 LEU A 98 -7.104 3.154 11.537 1.00 73.35 H new ATOM 0 HD12 LEU A 98 -6.014 4.556 11.428 1.00 73.35 H new ATOM 0 HD13 LEU A 98 -7.014 4.097 10.030 1.00 73.35 H new ATOM 0 HD21 LEU A 98 -6.576 1.060 10.375 1.00 12.14 H new ATOM 0 HD22 LEU A 98 -6.466 1.888 8.804 1.00 12.14 H new ATOM 0 HD23 LEU A 98 -5.100 0.911 9.392 1.00 12.14 H new ATOM 1505 N SER A 99 -3.054 5.221 7.138 1.00 44.03 N ATOM 1506 CA SER A 99 -2.218 6.355 6.717 1.00 42.13 C ATOM 1507 C SER A 99 -2.823 7.099 5.512 1.00 41.04 C ATOM 1508 O SER A 99 -2.602 8.297 5.341 1.00 62.31 O ATOM 1509 CB SER A 99 -0.791 5.892 6.390 1.00 72.43 C ATOM 1510 OG SER A 99 0.071 6.997 6.151 1.00 14.10 O ATOM 0 H SER A 99 -2.638 4.305 6.968 1.00 44.03 H new ATOM 0 HA SER A 99 -2.180 7.051 7.555 1.00 42.13 H new ATOM 0 HB2 SER A 99 -0.402 5.297 7.216 1.00 72.43 H new ATOM 0 HB3 SER A 99 -0.809 5.246 5.512 1.00 72.43 H new ATOM 0 HG SER A 99 0.972 6.671 5.947 1.00 14.10 H new ATOM 1516 N LEU A 100 -3.584 6.389 4.679 1.00 3.01 N ATOM 1517 CA LEU A 100 -4.287 7.016 3.547 1.00 52.33 C ATOM 1518 C LEU A 100 -5.453 7.902 4.020 1.00 40.31 C ATOM 1519 O LEU A 100 -5.604 9.045 3.569 1.00 42.01 O ATOM 1520 CB LEU A 100 -4.809 5.947 2.573 1.00 22.04 C ATOM 1521 CG LEU A 100 -3.744 5.270 1.693 1.00 11.13 C ATOM 1522 CD1 LEU A 100 -4.362 4.140 0.872 1.00 51.34 C ATOM 1523 CD2 LEU A 100 -3.072 6.291 0.776 1.00 22.23 C ATOM 0 H LEU A 100 -3.732 5.383 4.762 1.00 3.01 H new ATOM 0 HA LEU A 100 -3.566 7.651 3.032 1.00 52.33 H new ATOM 0 HB2 LEU A 100 -5.322 5.176 3.149 1.00 22.04 H new ATOM 0 HB3 LEU A 100 -5.553 6.407 1.922 1.00 22.04 H new ATOM 0 HG LEU A 100 -2.984 4.844 2.348 1.00 11.13 H new ATOM 0 HD11 LEU A 100 -3.592 3.674 0.257 1.00 51.34 H new ATOM 0 HD12 LEU A 100 -4.790 3.395 1.543 1.00 51.34 H new ATOM 0 HD13 LEU A 100 -5.145 4.543 0.230 1.00 51.34 H new ATOM 0 HD21 LEU A 100 -2.322 5.791 0.162 1.00 22.23 H new ATOM 0 HD22 LEU A 100 -3.822 6.750 0.131 1.00 22.23 H new ATOM 0 HD23 LEU A 100 -2.592 7.061 1.379 1.00 22.23 H new ATOM 1535 N GLN A 101 -6.281 7.377 4.927 1.00 73.11 N ATOM 1536 CA GLN A 101 -7.453 8.115 5.412 1.00 54.52 C ATOM 1537 C GLN A 101 -7.051 9.335 6.259 1.00 54.01 C ATOM 1538 O GLN A 101 -7.716 10.370 6.217 1.00 0.14 O ATOM 1539 CB GLN A 101 -8.397 7.197 6.211 1.00 12.41 C ATOM 1540 CG GLN A 101 -7.799 6.637 7.498 1.00 22.33 C ATOM 1541 CD GLN A 101 -8.776 5.775 8.281 1.00 64.02 C ATOM 1542 OE1 GLN A 101 -9.648 5.119 7.714 1.00 40.20 O ATOM 1543 NE2 GLN A 101 -8.640 5.773 9.593 1.00 62.53 N ATOM 0 H GLN A 101 -6.164 6.451 5.338 1.00 73.11 H new ATOM 0 HA GLN A 101 -7.985 8.479 4.533 1.00 54.52 H new ATOM 0 HB2 GLN A 101 -9.301 7.754 6.458 1.00 12.41 H new ATOM 0 HB3 GLN A 101 -8.699 6.365 5.574 1.00 12.41 H new ATOM 0 HG2 GLN A 101 -6.916 6.046 7.255 1.00 22.33 H new ATOM 0 HG3 GLN A 101 -7.467 7.463 8.127 1.00 22.33 H new ATOM 0 HE21 GLN A 101 -7.905 6.329 10.030 1.00 62.53 H new ATOM 0 HE22 GLN A 101 -9.270 5.215 10.170 1.00 62.53 H new ATOM 1552 N GLU A 102 -5.961 9.217 7.021 1.00 53.22 N ATOM 1553 CA GLU A 102 -5.474 10.343 7.827 1.00 40.45 C ATOM 1554 C GLU A 102 -4.778 11.397 6.946 1.00 60.32 C ATOM 1555 O GLU A 102 -4.874 12.594 7.209 1.00 22.22 O ATOM 1556 CB GLU A 102 -4.521 9.863 8.937 1.00 4.40 C ATOM 1557 CG GLU A 102 -3.214 9.276 8.424 1.00 33.44 C ATOM 1558 CD GLU A 102 -2.315 8.767 9.541 1.00 34.25 C ATOM 1559 OE1 GLU A 102 -2.461 7.593 9.942 1.00 65.45 O ATOM 1560 OE2 GLU A 102 -1.455 9.533 10.022 1.00 32.05 O ATOM 0 H GLU A 102 -5.404 8.366 7.098 1.00 53.22 H new ATOM 0 HA GLU A 102 -6.342 10.806 8.297 1.00 40.45 H new ATOM 0 HB2 GLU A 102 -4.296 10.702 9.596 1.00 4.40 H new ATOM 0 HB3 GLU A 102 -5.032 9.112 9.540 1.00 4.40 H new ATOM 0 HG2 GLU A 102 -3.433 8.457 7.739 1.00 33.44 H new ATOM 0 HG3 GLU A 102 -2.680 10.035 7.852 1.00 33.44 H new ATOM 1567 N LEU A 103 -4.091 10.952 5.892 1.00 72.14 N ATOM 1568 CA LEU A 103 -3.409 11.880 4.978 1.00 54.41 C ATOM 1569 C LEU A 103 -4.395 12.847 4.310 1.00 20.01 C ATOM 1570 O LEU A 103 -4.230 14.060 4.385 1.00 61.21 O ATOM 1571 CB LEU A 103 -2.638 11.119 3.889 1.00 34.10 C ATOM 1572 CG LEU A 103 -1.928 12.014 2.853 1.00 65.33 C ATOM 1573 CD1 LEU A 103 -0.828 12.846 3.510 1.00 45.02 C ATOM 1574 CD2 LEU A 103 -1.368 11.183 1.702 1.00 31.15 C ATOM 0 H LEU A 103 -3.991 9.966 5.649 1.00 72.14 H new ATOM 0 HA LEU A 103 -2.708 12.455 5.584 1.00 54.41 H new ATOM 0 HB2 LEU A 103 -1.894 10.482 4.368 1.00 34.10 H new ATOM 0 HB3 LEU A 103 -3.331 10.461 3.365 1.00 34.10 H new ATOM 0 HG LEU A 103 -2.669 12.700 2.442 1.00 65.33 H new ATOM 0 HD11 LEU A 103 -0.344 13.468 2.757 1.00 45.02 H new ATOM 0 HD12 LEU A 103 -1.264 13.482 4.280 1.00 45.02 H new ATOM 0 HD13 LEU A 103 -0.091 12.182 3.962 1.00 45.02 H new ATOM 0 HD21 LEU A 103 -0.873 11.840 0.986 1.00 31.15 H new ATOM 0 HD22 LEU A 103 -0.649 10.461 2.090 1.00 31.15 H new ATOM 0 HD23 LEU A 103 -2.182 10.654 1.206 1.00 31.15 H new ATOM 1586 N GLN A 104 -5.419 12.301 3.662 1.00 71.22 N ATOM 1587 CA GLN A 104 -6.390 13.112 2.908 1.00 71.35 C ATOM 1588 C GLN A 104 -7.042 14.214 3.770 1.00 11.30 C ATOM 1589 O GLN A 104 -7.398 15.277 3.260 1.00 62.11 O ATOM 1590 CB GLN A 104 -7.466 12.203 2.298 1.00 35.21 C ATOM 1591 CG GLN A 104 -8.222 11.369 3.323 1.00 52.32 C ATOM 1592 CD GLN A 104 -9.168 10.369 2.683 1.00 33.00 C ATOM 1593 OE1 GLN A 104 -10.326 10.668 2.430 1.00 52.25 O ATOM 1594 NE2 GLN A 104 -8.678 9.175 2.413 1.00 24.33 N ATOM 0 H GLN A 104 -5.605 11.298 3.639 1.00 71.22 H new ATOM 0 HA GLN A 104 -5.842 13.618 2.113 1.00 71.35 H new ATOM 0 HB2 GLN A 104 -8.178 12.818 1.748 1.00 35.21 H new ATOM 0 HB3 GLN A 104 -6.997 11.535 1.575 1.00 35.21 H new ATOM 0 HG2 GLN A 104 -7.507 10.836 3.950 1.00 52.32 H new ATOM 0 HG3 GLN A 104 -8.789 12.031 3.977 1.00 52.32 H new ATOM 0 HE21 GLN A 104 -7.707 8.960 2.638 1.00 24.33 H new ATOM 0 HE22 GLN A 104 -9.270 8.467 1.979 1.00 24.33 H new ATOM 1603 N VAL A 105 -7.189 13.961 5.072 1.00 2.31 N ATOM 1604 CA VAL A 105 -7.776 14.949 5.992 1.00 53.22 C ATOM 1605 C VAL A 105 -6.698 15.812 6.673 1.00 65.03 C ATOM 1606 O VAL A 105 -6.949 16.957 7.049 1.00 44.11 O ATOM 1607 CB VAL A 105 -8.650 14.262 7.076 1.00 52.40 C ATOM 1608 CG1 VAL A 105 -9.766 13.442 6.429 1.00 3.05 C ATOM 1609 CG2 VAL A 105 -7.804 13.391 8.006 1.00 14.10 C ATOM 0 H VAL A 105 -6.912 13.085 5.516 1.00 2.31 H new ATOM 0 HA VAL A 105 -8.406 15.599 5.386 1.00 53.22 H new ATOM 0 HB VAL A 105 -9.106 15.045 7.682 1.00 52.40 H new ATOM 0 HG11 VAL A 105 -10.367 12.969 7.206 1.00 3.05 H new ATOM 0 HG12 VAL A 105 -10.398 14.097 5.830 1.00 3.05 H new ATOM 0 HG13 VAL A 105 -9.330 12.675 5.790 1.00 3.05 H new ATOM 0 HG21 VAL A 105 -8.447 12.925 8.753 1.00 14.10 H new ATOM 0 HG22 VAL A 105 -7.303 12.617 7.424 1.00 14.10 H new ATOM 0 HG23 VAL A 105 -7.058 14.009 8.505 1.00 14.10 H new ATOM 1619 N SER A 106 -5.493 15.262 6.822 1.00 41.53 N ATOM 1620 CA SER A 106 -4.373 15.978 7.463 1.00 5.43 C ATOM 1621 C SER A 106 -3.370 16.508 6.425 1.00 30.22 C ATOM 1622 O SER A 106 -2.272 16.946 6.777 1.00 42.30 O ATOM 1623 CB SER A 106 -3.647 15.052 8.455 1.00 1.14 C ATOM 1624 OG SER A 106 -2.582 15.716 9.124 1.00 24.33 O ATOM 0 H SER A 106 -5.260 14.320 6.509 1.00 41.53 H new ATOM 0 HA SER A 106 -4.792 16.831 7.997 1.00 5.43 H new ATOM 0 HB2 SER A 106 -4.360 14.679 9.190 1.00 1.14 H new ATOM 0 HB3 SER A 106 -3.256 14.186 7.922 1.00 1.14 H new ATOM 0 HG SER A 106 -2.151 16.345 8.509 1.00 24.33 H new ATOM 1630 N SER A 107 -3.753 16.468 5.150 1.00 71.33 N ATOM 1631 CA SER A 107 -2.888 16.936 4.055 1.00 55.10 C ATOM 1632 C SER A 107 -2.554 18.423 4.206 1.00 22.32 C ATOM 1633 O SER A 107 -1.382 18.806 4.224 1.00 43.02 O ATOM 1634 CB SER A 107 -3.563 16.696 2.696 1.00 31.41 C ATOM 1635 OG SER A 107 -4.775 17.429 2.583 1.00 24.52 O ATOM 0 H SER A 107 -4.660 16.116 4.843 1.00 71.33 H new ATOM 0 HA SER A 107 -1.960 16.366 4.103 1.00 55.10 H new ATOM 0 HB2 SER A 107 -2.884 16.987 1.894 1.00 31.41 H new ATOM 0 HB3 SER A 107 -3.766 15.632 2.572 1.00 31.41 H new ATOM 0 HG SER A 107 -5.181 17.258 1.707 1.00 24.52 H new ATOM 1641 N ALA A 108 -3.596 19.252 4.288 1.00 22.33 N ATOM 1642 CA ALA A 108 -3.443 20.701 4.479 1.00 50.21 C ATOM 1643 C ALA A 108 -2.677 21.365 3.319 1.00 14.43 C ATOM 1644 O ALA A 108 -2.236 22.508 3.426 1.00 2.35 O ATOM 1645 CB ALA A 108 -2.755 20.988 5.815 1.00 51.14 C ATOM 0 H ALA A 108 -4.566 18.943 4.225 1.00 22.33 H new ATOM 0 HA ALA A 108 -4.442 21.137 4.491 1.00 50.21 H new ATOM 0 HB1 ALA A 108 -2.647 22.065 5.945 1.00 51.14 H new ATOM 0 HB2 ALA A 108 -3.357 20.583 6.629 1.00 51.14 H new ATOM 0 HB3 ALA A 108 -1.770 20.521 5.825 1.00 51.14 H new ATOM 1651 N ALA A 109 -2.546 20.649 2.204 1.00 45.42 N ATOM 1652 CA ALA A 109 -1.795 21.139 1.045 1.00 63.23 C ATOM 1653 C ALA A 109 -2.349 20.566 -0.264 1.00 71.41 C ATOM 1654 O ALA A 109 -2.886 19.456 -0.294 1.00 52.33 O ATOM 1655 CB ALA A 109 -0.317 20.787 1.193 1.00 54.42 C ATOM 0 H ALA A 109 -2.952 19.722 2.076 1.00 45.42 H new ATOM 0 HA ALA A 109 -1.904 22.223 1.006 1.00 63.23 H new ATOM 0 HB1 ALA A 109 0.233 21.155 0.327 1.00 54.42 H new ATOM 0 HB2 ALA A 109 0.078 21.249 2.097 1.00 54.42 H new ATOM 0 HB3 ALA A 109 -0.206 19.705 1.260 1.00 54.42 H new ATOM 1661 N ALA A 110 -2.218 21.333 -1.345 1.00 73.53 N ATOM 1662 CA ALA A 110 -2.676 20.898 -2.672 1.00 64.51 C ATOM 1663 C ALA A 110 -1.767 19.807 -3.261 1.00 31.13 C ATOM 1664 O ALA A 110 -2.195 19.016 -4.104 1.00 61.22 O ATOM 1665 CB ALA A 110 -2.757 22.092 -3.617 1.00 23.11 C ATOM 0 H ALA A 110 -1.798 22.262 -1.332 1.00 73.53 H new ATOM 0 HA ALA A 110 -3.670 20.466 -2.555 1.00 64.51 H new ATOM 0 HB1 ALA A 110 -3.097 21.758 -4.597 1.00 23.11 H new ATOM 0 HB2 ALA A 110 -3.460 22.824 -3.219 1.00 23.11 H new ATOM 0 HB3 ALA A 110 -1.772 22.549 -3.711 1.00 23.11 H new ATOM 1671 N GLY A 111 -0.517 19.770 -2.810 1.00 11.24 N ATOM 1672 CA GLY A 111 0.430 18.767 -3.290 1.00 73.31 C ATOM 1673 C GLY A 111 1.883 19.194 -3.126 1.00 14.14 C ATOM 1674 O GLY A 111 2.507 19.671 -4.074 1.00 52.11 O ATOM 0 H GLY A 111 -0.138 20.417 -2.119 1.00 11.24 H new ATOM 0 HA2 GLY A 111 0.268 17.834 -2.750 1.00 73.31 H new ATOM 0 HA3 GLY A 111 0.233 18.564 -4.343 1.00 73.31 H new ATOM 1678 N VAL A 112 2.424 19.034 -1.919 1.00 5.33 N ATOM 1679 CA VAL A 112 3.807 19.435 -1.627 1.00 1.52 C ATOM 1680 C VAL A 112 4.683 18.211 -1.286 1.00 61.20 C ATOM 1681 O VAL A 112 4.358 17.439 -0.377 1.00 42.50 O ATOM 1682 CB VAL A 112 3.862 20.451 -0.454 1.00 5.03 C ATOM 1683 CG1 VAL A 112 5.296 20.925 -0.203 1.00 1.04 C ATOM 1684 CG2 VAL A 112 2.938 21.639 -0.726 1.00 13.44 C ATOM 0 H VAL A 112 1.928 18.630 -1.124 1.00 5.33 H new ATOM 0 HA VAL A 112 4.198 19.911 -2.526 1.00 1.52 H new ATOM 0 HB VAL A 112 3.514 19.945 0.447 1.00 5.03 H new ATOM 0 HG11 VAL A 112 5.305 21.636 0.624 1.00 1.04 H new ATOM 0 HG12 VAL A 112 5.923 20.070 0.047 1.00 1.04 H new ATOM 0 HG13 VAL A 112 5.682 21.408 -1.101 1.00 1.04 H new ATOM 0 HG21 VAL A 112 2.991 22.339 0.108 1.00 13.44 H new ATOM 0 HG22 VAL A 112 3.250 22.141 -1.642 1.00 13.44 H new ATOM 0 HG23 VAL A 112 1.913 21.285 -0.838 1.00 13.44 H new ATOM 1694 N PRO A 113 5.812 18.023 -2.003 1.00 61.14 N ATOM 1695 CA PRO A 113 6.694 16.855 -1.809 1.00 22.22 C ATOM 1696 C PRO A 113 7.288 16.767 -0.392 1.00 1.55 C ATOM 1697 O PRO A 113 7.985 17.679 0.065 1.00 24.21 O ATOM 1698 CB PRO A 113 7.808 17.064 -2.855 1.00 42.04 C ATOM 1699 CG PRO A 113 7.764 18.521 -3.176 1.00 43.42 C ATOM 1700 CD PRO A 113 6.320 18.922 -3.056 1.00 31.23 C ATOM 0 HA PRO A 113 6.145 15.921 -1.928 1.00 22.22 H new ATOM 0 HB2 PRO A 113 8.782 16.776 -2.458 1.00 42.04 H new ATOM 0 HB3 PRO A 113 7.634 16.458 -3.744 1.00 42.04 H new ATOM 0 HG2 PRO A 113 8.387 19.092 -2.488 1.00 43.42 H new ATOM 0 HG3 PRO A 113 8.141 18.712 -4.181 1.00 43.42 H new ATOM 0 HD2 PRO A 113 6.214 19.970 -2.777 1.00 31.23 H new ATOM 0 HD3 PRO A 113 5.784 18.786 -3.995 1.00 31.23 H new ATOM 1708 N GLY A 114 7.006 15.658 0.295 1.00 1.24 N ATOM 1709 CA GLY A 114 7.548 15.425 1.633 1.00 24.04 C ATOM 1710 C GLY A 114 7.131 16.468 2.675 1.00 15.45 C ATOM 1711 O GLY A 114 7.822 16.656 3.677 1.00 52.11 O ATOM 0 H GLY A 114 6.407 14.910 -0.053 1.00 1.24 H new ATOM 0 HA2 GLY A 114 7.229 14.440 1.975 1.00 24.04 H new ATOM 0 HA3 GLY A 114 8.636 15.404 1.573 1.00 24.04 H new ATOM 1715 N THR A 115 5.998 17.139 2.455 1.00 11.32 N ATOM 1716 CA THR A 115 5.520 18.176 3.392 1.00 51.53 C ATOM 1717 C THR A 115 5.126 17.590 4.757 1.00 73.52 C ATOM 1718 O THR A 115 5.446 18.159 5.803 1.00 23.43 O ATOM 1719 CB THR A 115 4.314 18.969 2.823 1.00 31.25 C ATOM 1720 OG1 THR A 115 3.869 19.950 3.777 1.00 62.42 O ATOM 1721 CG2 THR A 115 3.150 18.048 2.465 1.00 24.04 C ATOM 0 H THR A 115 5.395 16.990 1.646 1.00 11.32 H new ATOM 0 HA THR A 115 6.362 18.855 3.526 1.00 51.53 H new ATOM 0 HB THR A 115 4.651 19.464 1.912 1.00 31.25 H new ATOM 0 HG1 THR A 115 3.109 20.445 3.407 1.00 62.42 H new ATOM 0 HG21 THR A 115 2.325 18.641 2.070 1.00 24.04 H new ATOM 0 HG22 THR A 115 3.473 17.329 1.712 1.00 24.04 H new ATOM 0 HG23 THR A 115 2.820 17.516 3.357 1.00 24.04 H new ATOM 1729 N ASN A 116 4.436 16.448 4.745 1.00 42.12 N ATOM 1730 CA ASN A 116 3.947 15.821 5.981 1.00 40.24 C ATOM 1731 C ASN A 116 4.537 14.412 6.153 1.00 13.30 C ATOM 1732 O ASN A 116 4.583 13.638 5.194 1.00 1.21 O ATOM 1733 CB ASN A 116 2.412 15.744 5.968 1.00 53.45 C ATOM 1734 CG ASN A 116 1.753 17.096 5.750 1.00 63.44 C ATOM 1735 OD1 ASN A 116 2.305 18.136 6.084 1.00 33.33 O ATOM 1736 ND2 ASN A 116 0.560 17.091 5.195 1.00 61.11 N ATOM 0 H ASN A 116 4.202 15.936 3.894 1.00 42.12 H new ATOM 0 HA ASN A 116 4.268 16.436 6.821 1.00 40.24 H new ATOM 0 HB2 ASN A 116 2.094 15.060 5.181 1.00 53.45 H new ATOM 0 HB3 ASN A 116 2.066 15.325 6.913 1.00 53.45 H new ATOM 0 HD21 ASN A 116 0.069 17.970 5.032 1.00 61.11 H new ATOM 0 HD22 ASN A 116 0.126 16.208 4.927 1.00 61.11 H new ATOM 1743 N PRO A 117 4.976 14.050 7.379 1.00 44.24 N ATOM 1744 CA PRO A 117 5.572 12.725 7.663 1.00 23.51 C ATOM 1745 C PRO A 117 4.713 11.544 7.167 1.00 54.25 C ATOM 1746 O PRO A 117 5.237 10.490 6.796 1.00 42.01 O ATOM 1747 CB PRO A 117 5.670 12.708 9.194 1.00 61.33 C ATOM 1748 CG PRO A 117 5.786 14.144 9.578 1.00 20.03 C ATOM 1749 CD PRO A 117 4.944 14.906 8.587 1.00 20.11 C ATOM 0 HA PRO A 117 6.524 12.599 7.148 1.00 23.51 H new ATOM 0 HB2 PRO A 117 4.790 12.247 9.643 1.00 61.33 H new ATOM 0 HB3 PRO A 117 6.535 12.136 9.530 1.00 61.33 H new ATOM 0 HG2 PRO A 117 5.433 14.306 10.596 1.00 20.03 H new ATOM 0 HG3 PRO A 117 6.824 14.475 9.544 1.00 20.03 H new ATOM 0 HD2 PRO A 117 3.927 15.050 8.951 1.00 20.11 H new ATOM 0 HD3 PRO A 117 5.354 15.896 8.389 1.00 20.11 H new ATOM 1757 N VAL A 118 3.391 11.737 7.160 1.00 42.21 N ATOM 1758 CA VAL A 118 2.444 10.710 6.699 1.00 54.42 C ATOM 1759 C VAL A 118 2.796 10.194 5.289 1.00 3.22 C ATOM 1760 O VAL A 118 2.570 9.027 4.968 1.00 61.40 O ATOM 1761 CB VAL A 118 0.991 11.255 6.698 1.00 5.14 C ATOM 1762 CG1 VAL A 118 -0.005 10.165 6.306 1.00 25.10 C ATOM 1763 CG2 VAL A 118 0.639 11.853 8.060 1.00 43.44 C ATOM 0 H VAL A 118 2.947 12.601 7.470 1.00 42.21 H new ATOM 0 HA VAL A 118 2.519 9.878 7.399 1.00 54.42 H new ATOM 0 HB VAL A 118 0.927 12.047 5.951 1.00 5.14 H new ATOM 0 HG11 VAL A 118 -1.015 10.575 6.314 1.00 25.10 H new ATOM 0 HG12 VAL A 118 0.231 9.799 5.307 1.00 25.10 H new ATOM 0 HG13 VAL A 118 0.058 9.342 7.018 1.00 25.10 H new ATOM 0 HG21 VAL A 118 -0.384 12.230 8.039 1.00 43.44 H new ATOM 0 HG22 VAL A 118 0.727 11.085 8.828 1.00 43.44 H new ATOM 0 HG23 VAL A 118 1.322 12.672 8.286 1.00 43.44 H new ATOM 1773 N LEU A 119 3.363 11.071 4.458 1.00 71.42 N ATOM 1774 CA LEU A 119 3.803 10.693 3.107 1.00 22.00 C ATOM 1775 C LEU A 119 4.898 9.616 3.161 1.00 74.42 C ATOM 1776 O LEU A 119 4.891 8.659 2.384 1.00 22.45 O ATOM 1777 CB LEU A 119 4.319 11.929 2.352 1.00 15.14 C ATOM 1778 CG LEU A 119 3.280 13.041 2.122 1.00 3.13 C ATOM 1779 CD1 LEU A 119 3.918 14.249 1.437 1.00 22.11 C ATOM 1780 CD2 LEU A 119 2.106 12.516 1.300 1.00 61.00 C ATOM 0 H LEU A 119 3.530 12.049 4.694 1.00 71.42 H new ATOM 0 HA LEU A 119 2.945 10.280 2.576 1.00 22.00 H new ATOM 0 HB2 LEU A 119 5.159 12.348 2.906 1.00 15.14 H new ATOM 0 HB3 LEU A 119 4.704 11.608 1.384 1.00 15.14 H new ATOM 0 HG LEU A 119 2.905 13.361 3.094 1.00 3.13 H new ATOM 0 HD11 LEU A 119 3.164 15.021 1.285 1.00 22.11 H new ATOM 0 HD12 LEU A 119 4.719 14.642 2.064 1.00 22.11 H new ATOM 0 HD13 LEU A 119 4.327 13.947 0.473 1.00 22.11 H new ATOM 0 HD21 LEU A 119 1.382 13.316 1.148 1.00 61.00 H new ATOM 0 HD22 LEU A 119 2.467 12.164 0.333 1.00 61.00 H new ATOM 0 HD23 LEU A 119 1.630 11.692 1.831 1.00 61.00 H new ATOM 1792 N ASN A 120 5.839 9.783 4.088 1.00 22.23 N ATOM 1793 CA ASN A 120 6.922 8.814 4.284 1.00 54.43 C ATOM 1794 C ASN A 120 6.389 7.512 4.895 1.00 51.22 C ATOM 1795 O ASN A 120 6.865 6.422 4.577 1.00 31.11 O ATOM 1796 CB ASN A 120 8.015 9.404 5.181 1.00 54.31 C ATOM 1797 CG ASN A 120 8.631 10.666 4.605 1.00 72.15 C ATOM 1798 OD1 ASN A 120 7.980 11.428 3.897 1.00 72.34 O ATOM 1799 ND2 ASN A 120 9.892 10.901 4.902 1.00 62.51 N ATOM 0 H ASN A 120 5.875 10.583 4.719 1.00 22.23 H new ATOM 0 HA ASN A 120 7.350 8.588 3.307 1.00 54.43 H new ATOM 0 HB2 ASN A 120 7.594 9.626 6.161 1.00 54.31 H new ATOM 0 HB3 ASN A 120 8.797 8.659 5.331 1.00 54.31 H new ATOM 0 HD21 ASN A 120 10.354 11.736 4.541 1.00 62.51 H new ATOM 0 HD22 ASN A 120 10.407 10.249 5.493 1.00 62.51 H new ATOM 1806 N ASN A 121 5.394 7.635 5.776 1.00 43.40 N ATOM 1807 CA ASN A 121 4.748 6.465 6.382 1.00 41.33 C ATOM 1808 C ASN A 121 4.028 5.622 5.314 1.00 4.40 C ATOM 1809 O ASN A 121 4.048 4.390 5.361 1.00 70.15 O ATOM 1810 CB ASN A 121 3.768 6.902 7.480 1.00 73.21 C ATOM 1811 CG ASN A 121 4.450 7.714 8.569 1.00 61.14 C ATOM 1812 OD1 ASN A 121 5.650 7.600 8.791 1.00 2.52 O ATOM 1813 ND2 ASN A 121 3.688 8.528 9.269 1.00 23.05 N ATOM 0 H ASN A 121 5.017 8.531 6.086 1.00 43.40 H new ATOM 0 HA ASN A 121 5.521 5.845 6.836 1.00 41.33 H new ATOM 0 HB2 ASN A 121 2.968 7.494 7.036 1.00 73.21 H new ATOM 0 HB3 ASN A 121 3.305 6.020 7.923 1.00 73.21 H new ATOM 0 HD21 ASN A 121 4.093 9.086 10.020 1.00 23.05 H new ATOM 0 HD22 ASN A 121 2.692 8.601 9.060 1.00 23.05 H new ATOM 1820 N LEU A 122 3.398 6.295 4.348 1.00 11.03 N ATOM 1821 CA LEU A 122 2.841 5.613 3.175 1.00 70.42 C ATOM 1822 C LEU A 122 3.942 4.885 2.396 1.00 72.52 C ATOM 1823 O LEU A 122 3.811 3.705 2.071 1.00 74.23 O ATOM 1824 CB LEU A 122 2.122 6.604 2.248 1.00 32.30 C ATOM 1825 CG LEU A 122 0.758 7.105 2.747 1.00 60.42 C ATOM 1826 CD1 LEU A 122 0.158 8.096 1.754 1.00 74.44 C ATOM 1827 CD2 LEU A 122 -0.191 5.929 2.975 1.00 21.12 C ATOM 0 H LEU A 122 3.261 7.306 4.353 1.00 11.03 H new ATOM 0 HA LEU A 122 2.116 4.882 3.534 1.00 70.42 H new ATOM 0 HB2 LEU A 122 2.771 7.466 2.092 1.00 32.30 H new ATOM 0 HB3 LEU A 122 1.982 6.130 1.276 1.00 32.30 H new ATOM 0 HG LEU A 122 0.903 7.618 3.698 1.00 60.42 H new ATOM 0 HD11 LEU A 122 -0.808 8.441 2.123 1.00 74.44 H new ATOM 0 HD12 LEU A 122 0.828 8.948 1.640 1.00 74.44 H new ATOM 0 HD13 LEU A 122 0.024 7.608 0.789 1.00 74.44 H new ATOM 0 HD21 LEU A 122 -1.153 6.301 3.328 1.00 21.12 H new ATOM 0 HD22 LEU A 122 -0.332 5.389 2.039 1.00 21.12 H new ATOM 0 HD23 LEU A 122 0.234 5.257 3.721 1.00 21.12 H new ATOM 1839 N LEU A 123 5.031 5.600 2.111 1.00 71.22 N ATOM 1840 CA LEU A 123 6.191 5.022 1.424 1.00 54.10 C ATOM 1841 C LEU A 123 6.679 3.753 2.142 1.00 75.41 C ATOM 1842 O LEU A 123 6.946 2.731 1.507 1.00 61.03 O ATOM 1843 CB LEU A 123 7.319 6.063 1.344 1.00 23.42 C ATOM 1844 CG LEU A 123 8.571 5.635 0.559 1.00 62.43 C ATOM 1845 CD1 LEU A 123 8.216 5.267 -0.879 1.00 32.34 C ATOM 1846 CD2 LEU A 123 9.620 6.744 0.587 1.00 62.34 C ATOM 0 H LEU A 123 5.136 6.587 2.346 1.00 71.22 H new ATOM 0 HA LEU A 123 5.893 4.741 0.414 1.00 54.10 H new ATOM 0 HB2 LEU A 123 6.920 6.969 0.888 1.00 23.42 H new ATOM 0 HB3 LEU A 123 7.621 6.323 2.359 1.00 23.42 H new ATOM 0 HG LEU A 123 8.988 4.749 1.039 1.00 62.43 H new ATOM 0 HD11 LEU A 123 9.119 4.968 -1.412 1.00 32.34 H new ATOM 0 HD12 LEU A 123 7.505 4.441 -0.878 1.00 32.34 H new ATOM 0 HD13 LEU A 123 7.770 6.129 -1.376 1.00 32.34 H new ATOM 0 HD21 LEU A 123 10.500 6.427 0.028 1.00 62.34 H new ATOM 0 HD22 LEU A 123 9.208 7.646 0.134 1.00 62.34 H new ATOM 0 HD23 LEU A 123 9.902 6.952 1.619 1.00 62.34 H new ATOM 1858 N SER A 124 6.775 3.825 3.471 1.00 0.00 N ATOM 1859 CA SER A 124 7.143 2.662 4.294 1.00 0.24 C ATOM 1860 C SER A 124 6.170 1.493 4.079 1.00 32.31 C ATOM 1861 O SER A 124 6.587 0.359 3.842 1.00 21.44 O ATOM 1862 CB SER A 124 7.168 3.040 5.783 1.00 22.54 C ATOM 1863 OG SER A 124 7.447 1.911 6.597 1.00 21.41 O ATOM 0 H SER A 124 6.603 4.677 4.005 1.00 0.00 H new ATOM 0 HA SER A 124 8.139 2.346 3.984 1.00 0.24 H new ATOM 0 HB2 SER A 124 7.922 3.809 5.953 1.00 22.54 H new ATOM 0 HB3 SER A 124 6.207 3.468 6.068 1.00 22.54 H new ATOM 0 HG SER A 124 7.458 2.182 7.539 1.00 21.41 H new ATOM 1869 N CYS A 125 4.869 1.781 4.151 1.00 1.03 N ATOM 1870 CA CYS A 125 3.829 0.762 3.941 1.00 53.43 C ATOM 1871 C CYS A 125 3.936 0.123 2.547 1.00 20.05 C ATOM 1872 O CYS A 125 3.825 -1.091 2.402 1.00 72.45 O ATOM 1873 CB CYS A 125 2.432 1.372 4.131 1.00 22.42 C ATOM 1874 SG CYS A 125 2.116 2.005 5.798 1.00 75.32 S ATOM 0 H CYS A 125 4.506 2.713 4.353 1.00 1.03 H new ATOM 0 HA CYS A 125 3.983 -0.020 4.684 1.00 53.43 H new ATOM 0 HB2 CYS A 125 2.303 2.184 3.416 1.00 22.42 H new ATOM 0 HB3 CYS A 125 1.683 0.616 3.894 1.00 22.42 H new ATOM 0 HG CYS A 125 2.813 3.086 5.991 1.00 75.32 H new ATOM 1880 N VAL A 126 4.156 0.949 1.525 1.00 63.33 N ATOM 1881 CA VAL A 126 4.323 0.456 0.149 1.00 10.40 C ATOM 1882 C VAL A 126 5.546 -0.471 0.034 1.00 14.00 C ATOM 1883 O VAL A 126 5.460 -1.570 -0.522 1.00 33.42 O ATOM 1884 CB VAL A 126 4.470 1.625 -0.858 1.00 61.42 C ATOM 1885 CG1 VAL A 126 4.686 1.102 -2.277 1.00 33.21 C ATOM 1886 CG2 VAL A 126 3.248 2.539 -0.799 1.00 12.12 C ATOM 0 H VAL A 126 4.224 1.962 1.619 1.00 63.33 H new ATOM 0 HA VAL A 126 3.423 -0.109 -0.095 1.00 10.40 H new ATOM 0 HB VAL A 126 5.349 2.206 -0.578 1.00 61.42 H new ATOM 0 HG11 VAL A 126 4.786 1.943 -2.963 1.00 33.21 H new ATOM 0 HG12 VAL A 126 5.593 0.498 -2.308 1.00 33.21 H new ATOM 0 HG13 VAL A 126 3.833 0.491 -2.573 1.00 33.21 H new ATOM 0 HG21 VAL A 126 3.369 3.354 -1.513 1.00 12.12 H new ATOM 0 HG22 VAL A 126 2.354 1.968 -1.048 1.00 12.12 H new ATOM 0 HG23 VAL A 126 3.148 2.949 0.206 1.00 12.12 H new ATOM 1896 N GLN A 127 6.679 -0.015 0.566 1.00 72.53 N ATOM 1897 CA GLN A 127 7.915 -0.810 0.584 1.00 54.35 C ATOM 1898 C GLN A 127 7.730 -2.112 1.386 1.00 70.30 C ATOM 1899 O GLN A 127 8.308 -3.150 1.052 1.00 32.55 O ATOM 1900 CB GLN A 127 9.061 0.027 1.179 1.00 44.24 C ATOM 1901 CG GLN A 127 9.403 1.273 0.359 1.00 2.35 C ATOM 1902 CD GLN A 127 10.381 2.212 1.060 1.00 2.44 C ATOM 1903 OE1 GLN A 127 10.407 2.310 2.283 1.00 72.42 O ATOM 1904 NE2 GLN A 127 11.188 2.915 0.288 1.00 33.43 N ATOM 0 H GLN A 127 6.771 0.906 0.994 1.00 72.53 H new ATOM 0 HA GLN A 127 8.163 -1.084 -0.441 1.00 54.35 H new ATOM 0 HB2 GLN A 127 8.790 0.331 2.190 1.00 44.24 H new ATOM 0 HB3 GLN A 127 9.950 -0.598 1.262 1.00 44.24 H new ATOM 0 HG2 GLN A 127 9.829 0.965 -0.596 1.00 2.35 H new ATOM 0 HG3 GLN A 127 8.484 1.817 0.138 1.00 2.35 H new ATOM 0 HE21 GLN A 127 11.142 2.811 -0.726 1.00 33.43 H new ATOM 0 HE22 GLN A 127 11.857 3.562 0.705 1.00 33.43 H new ATOM 1913 N GLU A 128 6.913 -2.044 2.434 1.00 44.20 N ATOM 1914 CA GLU A 128 6.609 -3.209 3.277 1.00 22.13 C ATOM 1915 C GLU A 128 5.754 -4.246 2.524 1.00 41.03 C ATOM 1916 O GLU A 128 6.123 -5.416 2.423 1.00 33.44 O ATOM 1917 CB GLU A 128 5.872 -2.740 4.541 1.00 12.51 C ATOM 1918 CG GLU A 128 5.571 -3.842 5.557 1.00 54.11 C ATOM 1919 CD GLU A 128 6.814 -4.369 6.256 1.00 60.34 C ATOM 1920 OE1 GLU A 128 7.315 -3.690 7.179 1.00 72.23 O ATOM 1921 OE2 GLU A 128 7.304 -5.453 5.883 1.00 52.03 O ATOM 0 H GLU A 128 6.443 -1.187 2.726 1.00 44.20 H new ATOM 0 HA GLU A 128 7.548 -3.691 3.549 1.00 22.13 H new ATOM 0 HB2 GLU A 128 6.470 -1.970 5.028 1.00 12.51 H new ATOM 0 HB3 GLU A 128 4.933 -2.273 4.244 1.00 12.51 H new ATOM 0 HG2 GLU A 128 4.877 -3.458 6.305 1.00 54.11 H new ATOM 0 HG3 GLU A 128 5.070 -4.667 5.051 1.00 54.11 H new ATOM 1928 N ILE A 129 4.614 -3.802 1.988 1.00 30.24 N ATOM 1929 CA ILE A 129 3.691 -4.688 1.260 1.00 34.21 C ATOM 1930 C ILE A 129 4.375 -5.353 0.056 1.00 72.20 C ATOM 1931 O ILE A 129 4.346 -6.577 -0.087 1.00 2.52 O ATOM 1932 CB ILE A 129 2.436 -3.915 0.770 1.00 24.32 C ATOM 1933 CG1 ILE A 129 1.686 -3.300 1.963 1.00 51.20 C ATOM 1934 CG2 ILE A 129 1.509 -4.834 -0.033 1.00 10.41 C ATOM 1935 CD1 ILE A 129 0.523 -2.415 1.564 1.00 3.34 C ATOM 0 H ILE A 129 4.304 -2.832 2.043 1.00 30.24 H new ATOM 0 HA ILE A 129 3.384 -5.463 1.963 1.00 34.21 H new ATOM 0 HB ILE A 129 2.765 -3.109 0.114 1.00 24.32 H new ATOM 0 HG12 ILE A 129 1.317 -4.103 2.601 1.00 51.20 H new ATOM 0 HG13 ILE A 129 2.387 -2.716 2.559 1.00 51.20 H new ATOM 0 HG21 ILE A 129 0.637 -4.271 -0.366 1.00 10.41 H new ATOM 0 HG22 ILE A 129 2.043 -5.222 -0.900 1.00 10.41 H new ATOM 0 HG23 ILE A 129 1.186 -5.664 0.595 1.00 10.41 H new ATOM 0 HD11 ILE A 129 0.044 -2.018 2.459 1.00 3.34 H new ATOM 0 HD12 ILE A 129 0.887 -1.590 0.951 1.00 3.34 H new ATOM 0 HD13 ILE A 129 -0.200 -2.999 0.994 1.00 3.34 H new ATOM 1947 N SER A 130 4.998 -4.543 -0.803 1.00 43.34 N ATOM 1948 CA SER A 130 5.705 -5.060 -1.985 1.00 53.34 C ATOM 1949 C SER A 130 6.761 -6.102 -1.588 1.00 40.43 C ATOM 1950 O SER A 130 6.912 -7.130 -2.250 1.00 32.10 O ATOM 1951 CB SER A 130 6.370 -3.916 -2.764 1.00 52.13 C ATOM 1952 OG SER A 130 7.287 -3.203 -1.949 1.00 71.31 O ATOM 0 H SER A 130 5.029 -3.528 -0.706 1.00 43.34 H new ATOM 0 HA SER A 130 4.966 -5.542 -2.625 1.00 53.34 H new ATOM 0 HB2 SER A 130 6.890 -4.319 -3.633 1.00 52.13 H new ATOM 0 HB3 SER A 130 5.606 -3.235 -3.137 1.00 52.13 H new ATOM 0 HG SER A 130 6.796 -2.586 -1.367 1.00 71.31 H new ATOM 1958 N ASP A 131 7.481 -5.829 -0.500 1.00 44.22 N ATOM 1959 CA ASP A 131 8.463 -6.773 0.039 1.00 12.33 C ATOM 1960 C ASP A 131 7.806 -8.106 0.434 1.00 44.25 C ATOM 1961 O ASP A 131 8.280 -9.177 0.054 1.00 54.32 O ATOM 1962 CB ASP A 131 9.167 -6.150 1.247 1.00 3.15 C ATOM 1963 CG ASP A 131 10.089 -7.126 1.953 1.00 4.25 C ATOM 1964 OD1 ASP A 131 11.094 -7.548 1.347 1.00 33.25 O ATOM 1965 OD2 ASP A 131 9.810 -7.478 3.117 1.00 22.12 O ATOM 0 H ASP A 131 7.403 -4.960 0.028 1.00 44.22 H new ATOM 0 HA ASP A 131 9.195 -6.985 -0.740 1.00 12.33 H new ATOM 0 HB2 ASP A 131 9.742 -5.284 0.920 1.00 3.15 H new ATOM 0 HB3 ASP A 131 8.419 -5.788 1.952 1.00 3.15 H new ATOM 1970 N VAL A 132 6.713 -8.030 1.193 1.00 43.44 N ATOM 1971 CA VAL A 132 5.969 -9.228 1.609 1.00 22.42 C ATOM 1972 C VAL A 132 5.521 -10.059 0.395 1.00 24.13 C ATOM 1973 O VAL A 132 5.525 -11.293 0.434 1.00 63.15 O ATOM 1974 CB VAL A 132 4.733 -8.862 2.476 1.00 70.15 C ATOM 1975 CG1 VAL A 132 3.939 -10.113 2.859 1.00 1.31 C ATOM 1976 CG2 VAL A 132 5.165 -8.096 3.729 1.00 53.02 C ATOM 0 H VAL A 132 6.320 -7.153 1.535 1.00 43.44 H new ATOM 0 HA VAL A 132 6.651 -9.827 2.213 1.00 22.42 H new ATOM 0 HB VAL A 132 4.083 -8.219 1.882 1.00 70.15 H new ATOM 0 HG11 VAL A 132 3.080 -9.827 3.466 1.00 1.31 H new ATOM 0 HG12 VAL A 132 3.594 -10.616 1.955 1.00 1.31 H new ATOM 0 HG13 VAL A 132 4.577 -10.788 3.429 1.00 1.31 H new ATOM 0 HG21 VAL A 132 4.287 -7.848 4.325 1.00 53.02 H new ATOM 0 HG22 VAL A 132 5.840 -8.715 4.319 1.00 53.02 H new ATOM 0 HG23 VAL A 132 5.676 -7.179 3.437 1.00 53.02 H new ATOM 1986 N VAL A 133 5.149 -9.374 -0.686 1.00 74.34 N ATOM 1987 CA VAL A 133 4.767 -10.041 -1.936 1.00 42.32 C ATOM 1988 C VAL A 133 5.971 -10.748 -2.590 1.00 23.11 C ATOM 1989 O VAL A 133 5.824 -11.810 -3.201 1.00 72.55 O ATOM 1990 CB VAL A 133 4.152 -9.035 -2.946 1.00 22.22 C ATOM 1991 CG1 VAL A 133 3.777 -9.727 -4.257 1.00 33.10 C ATOM 1992 CG2 VAL A 133 2.934 -8.332 -2.341 1.00 60.30 C ATOM 0 H VAL A 133 5.103 -8.356 -0.724 1.00 74.34 H new ATOM 0 HA VAL A 133 4.018 -10.789 -1.677 1.00 42.32 H new ATOM 0 HB VAL A 133 4.909 -8.282 -3.167 1.00 22.22 H new ATOM 0 HG11 VAL A 133 3.349 -8.997 -4.944 1.00 33.10 H new ATOM 0 HG12 VAL A 133 4.668 -10.167 -4.704 1.00 33.10 H new ATOM 0 HG13 VAL A 133 3.046 -10.511 -4.059 1.00 33.10 H new ATOM 0 HG21 VAL A 133 2.520 -7.632 -3.067 1.00 60.30 H new ATOM 0 HG22 VAL A 133 2.179 -9.073 -2.080 1.00 60.30 H new ATOM 0 HG23 VAL A 133 3.235 -7.790 -1.445 1.00 60.30 H new ATOM 2002 N GLN A 134 7.158 -10.153 -2.462 1.00 30.41 N ATOM 2003 CA GLN A 134 8.382 -10.735 -3.031 1.00 31.23 C ATOM 2004 C GLN A 134 8.827 -12.001 -2.278 1.00 43.24 C ATOM 2005 O GLN A 134 9.429 -12.900 -2.870 1.00 1.22 O ATOM 2006 CB GLN A 134 9.520 -9.705 -3.032 1.00 14.32 C ATOM 2007 CG GLN A 134 9.276 -8.516 -3.956 1.00 53.41 C ATOM 2008 CD GLN A 134 10.453 -7.553 -4.017 1.00 30.53 C ATOM 2009 OE1 GLN A 134 11.180 -7.370 -3.043 1.00 63.32 O ATOM 2010 NE2 GLN A 134 10.667 -6.950 -5.171 1.00 32.42 N ATOM 0 H GLN A 134 7.301 -9.270 -1.971 1.00 30.41 H new ATOM 0 HA GLN A 134 8.150 -11.021 -4.057 1.00 31.23 H new ATOM 0 HB2 GLN A 134 9.667 -9.339 -2.016 1.00 14.32 H new ATOM 0 HB3 GLN A 134 10.445 -10.200 -3.329 1.00 14.32 H new ATOM 0 HG2 GLN A 134 9.062 -8.882 -4.960 1.00 53.41 H new ATOM 0 HG3 GLN A 134 8.391 -7.977 -3.618 1.00 53.41 H new ATOM 0 HE21 GLN A 134 10.045 -7.124 -5.960 1.00 32.42 H new ATOM 0 HE22 GLN A 134 11.455 -6.310 -5.274 1.00 32.42 H new ATOM 2019 N ARG A 135 8.521 -12.067 -0.979 1.00 24.01 N ATOM 2020 CA ARG A 135 8.939 -13.198 -0.125 1.00 71.40 C ATOM 2021 C ARG A 135 8.356 -14.552 -0.604 1.00 13.11 C ATOM 2022 O ARG A 135 7.149 -14.801 -0.392 1.00 38.17 O ATOM 2023 CB ARG A 135 8.517 -12.947 1.331 1.00 21.12 C ATOM 2024 CG ARG A 135 8.992 -11.616 1.907 1.00 21.24 C ATOM 2025 CD ARG A 135 8.508 -11.429 3.343 1.00 15.41 C ATOM 2026 NE ARG A 135 8.791 -10.093 3.865 1.00 22.01 N ATOM 2027 CZ ARG A 135 8.527 -9.716 5.089 1.00 32.44 C ATOM 2028 NH1 ARG A 135 8.001 -10.545 5.938 1.00 22.12 N ATOM 2029 NH2 ARG A 135 8.794 -8.508 5.459 1.00 31.13 N ATOM 2030 OXT ARG A 135 9.114 -15.372 -1.167 1.00 38.17 O ATOM 0 H ARG A 135 7.984 -11.352 -0.489 1.00 24.01 H new ATOM 0 HA ARG A 135 10.025 -13.262 -0.195 1.00 71.40 H new ATOM 0 HB2 ARG A 135 7.430 -12.988 1.393 1.00 21.12 H new ATOM 0 HB3 ARG A 135 8.902 -13.756 1.952 1.00 21.12 H new ATOM 0 HG2 ARG A 135 10.081 -11.573 1.879 1.00 21.24 H new ATOM 0 HG3 ARG A 135 8.625 -10.798 1.288 1.00 21.24 H new ATOM 0 HD2 ARG A 135 7.434 -11.612 3.387 1.00 15.41 H new ATOM 0 HD3 ARG A 135 8.984 -12.173 3.982 1.00 15.41 H new ATOM 0 HE ARG A 135 9.220 -9.414 3.236 1.00 22.01 H new ATOM 0 HH11 ARG A 135 7.789 -11.501 5.653 1.00 22.12 H new ATOM 0 HH12 ARG A 135 7.799 -10.240 6.890 1.00 22.12 H new ATOM 0 HH21 ARG A 135 9.209 -7.852 4.797 1.00 31.13 H new ATOM 0 HH22 ARG A 135 8.590 -8.210 6.413 1.00 31.13 H new