USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 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 59 ASN : amide:sc= -1.03 K(o=-0.71,f=-1.7!) USER MOD Set 1.2: A 107 SER OG : rot -167:sc= 0.317 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -110:sc= 0.31 (180deg=-0.261) USER MOD Single : A 45 CYS SG : rot 72:sc= 0.746 USER MOD Single : A 50 SER OG : rot -63:sc= 1.06 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -46:sc= 1.1 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.04 K(o=-1,f=-0.052) USER MOD Single : A 65 THR OG1 : rot 82:sc= 0.903 USER MOD Single : A 67 HIS : no HE2:sc= -2.4! C(o=-2.4!,f=-6.8!) USER MOD Single : A 68 GLN : amide:sc= -0.76 X(o=-0.76,f=-0.58) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 78:sc= 0.287 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -27:sc= 0.404 USER MOD Single : A 82 GLN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.8!) 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+ -161:sc= -0.143 (180deg=-0.482) USER MOD Single : A 99 SER OG : rot 92:sc= 1.22 USER MOD Single : A 101 GLN : amide:sc= -0.271 K(o=-0.27,f=-0.93) USER MOD Single : A 104 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.5) USER MOD Single : A 106 SER OG : rot -35:sc= 0.952 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -3.78! C(o=-3.8!,f=-6.1!) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 121 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.92) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 68:sc= -0.844! USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 130 SER OG : rot -79:sc= 0.907 USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.081 -12.701 -10.203 1.00 43.21 N ATOM 529 CA LYS A 36 -7.424 -12.158 -11.398 1.00 13.22 C ATOM 530 C LYS A 36 -6.124 -11.402 -11.044 1.00 51.41 C ATOM 531 O LYS A 36 -5.190 -11.358 -11.848 1.00 13.24 O ATOM 532 CB LYS A 36 -8.413 -11.244 -12.156 1.00 15.41 C ATOM 533 CG LYS A 36 -7.906 -10.702 -13.500 1.00 34.23 C ATOM 534 CD LYS A 36 -7.085 -9.421 -13.345 1.00 51.30 C ATOM 535 CE LYS A 36 -6.577 -8.908 -14.688 1.00 14.24 C ATOM 536 NZ LYS A 36 -5.745 -7.689 -14.530 1.00 1.13 N ATOM 0 HA LYS A 36 -7.137 -12.988 -12.043 1.00 13.22 H new ATOM 0 HB2 LYS A 36 -9.334 -11.799 -12.331 1.00 15.41 H new ATOM 0 HB3 LYS A 36 -8.667 -10.400 -11.515 1.00 15.41 H new ATOM 0 HG2 LYS A 36 -7.297 -11.463 -13.988 1.00 34.23 H new ATOM 0 HG3 LYS A 36 -8.757 -10.507 -14.153 1.00 34.23 H new ATOM 0 HD2 LYS A 36 -7.696 -8.653 -12.870 1.00 51.30 H new ATOM 0 HD3 LYS A 36 -6.239 -9.609 -12.684 1.00 51.30 H new ATOM 0 HE2 LYS A 36 -5.992 -9.687 -15.178 1.00 14.24 H new ATOM 0 HE3 LYS A 36 -7.424 -8.689 -15.338 1.00 14.24 H new ATOM 0 HZ1 LYS A 36 -5.417 -7.369 -15.464 1.00 1.13 H new ATOM 0 HZ2 LYS A 36 -6.311 -6.938 -14.085 1.00 1.13 H new ATOM 0 HZ3 LYS A 36 -4.923 -7.905 -13.930 1.00 1.13 H new ATOM 550 N ILE A 37 -6.066 -10.821 -9.843 1.00 54.14 N ATOM 551 CA ILE A 37 -4.896 -10.034 -9.410 1.00 4.22 C ATOM 552 C ILE A 37 -3.587 -10.833 -9.532 1.00 32.25 C ATOM 553 O ILE A 37 -3.444 -11.912 -8.951 1.00 22.51 O ATOM 554 CB ILE A 37 -5.041 -9.539 -7.946 1.00 62.35 C ATOM 555 CG1 ILE A 37 -6.322 -8.706 -7.770 1.00 10.14 C ATOM 556 CG2 ILE A 37 -3.815 -8.727 -7.526 1.00 34.13 C ATOM 557 CD1 ILE A 37 -6.423 -7.516 -8.705 1.00 21.20 C ATOM 0 H ILE A 37 -6.812 -10.877 -9.150 1.00 54.14 H new ATOM 0 HA ILE A 37 -4.854 -9.174 -10.078 1.00 4.22 H new ATOM 0 HB ILE A 37 -5.113 -10.415 -7.302 1.00 62.35 H new ATOM 0 HG12 ILE A 37 -7.186 -9.352 -7.927 1.00 10.14 H new ATOM 0 HG13 ILE A 37 -6.372 -8.351 -6.741 1.00 10.14 H new ATOM 0 HG21 ILE A 37 -3.937 -8.390 -6.497 1.00 34.13 H new ATOM 0 HG22 ILE A 37 -2.923 -9.350 -7.600 1.00 34.13 H new ATOM 0 HG23 ILE A 37 -3.709 -7.862 -8.181 1.00 34.13 H new ATOM 0 HD11 ILE A 37 -7.355 -6.983 -8.516 1.00 21.20 H new ATOM 0 HD12 ILE A 37 -5.580 -6.846 -8.534 1.00 21.20 H new ATOM 0 HD13 ILE A 37 -6.407 -7.863 -9.738 1.00 21.20 H new ATOM 569 N SER A 38 -2.633 -10.294 -10.291 1.00 65.34 N ATOM 570 CA SER A 38 -1.334 -10.951 -10.493 1.00 11.33 C ATOM 571 C SER A 38 -0.246 -10.365 -9.584 1.00 21.33 C ATOM 572 O SER A 38 -0.293 -9.192 -9.210 1.00 52.20 O ATOM 573 CB SER A 38 -0.893 -10.828 -11.958 1.00 73.20 C ATOM 574 OG SER A 38 -1.831 -11.433 -12.834 1.00 14.51 O ATOM 0 H SER A 38 -2.732 -9.403 -10.778 1.00 65.34 H new ATOM 0 HA SER A 38 -1.464 -12.002 -10.234 1.00 11.33 H new ATOM 0 HB2 SER A 38 -0.777 -9.776 -12.217 1.00 73.20 H new ATOM 0 HB3 SER A 38 0.082 -11.297 -12.087 1.00 73.20 H new ATOM 0 HG SER A 38 -1.523 -11.337 -13.760 1.00 14.51 H new ATOM 580 N LYS A 39 0.741 -11.198 -9.255 1.00 21.11 N ATOM 581 CA LYS A 39 1.885 -10.801 -8.418 1.00 72.43 C ATOM 582 C LYS A 39 2.536 -9.501 -8.928 1.00 20.15 C ATOM 583 O LYS A 39 2.627 -8.509 -8.200 1.00 64.55 O ATOM 584 CB LYS A 39 2.904 -11.964 -8.395 1.00 64.31 C ATOM 585 CG LYS A 39 4.103 -11.779 -7.456 1.00 44.32 C ATOM 586 CD LYS A 39 5.226 -10.949 -8.083 1.00 25.43 C ATOM 587 CE LYS A 39 6.404 -10.771 -7.130 1.00 62.32 C ATOM 588 NZ LYS A 39 7.027 -12.065 -6.759 1.00 25.32 N ATOM 0 H LYS A 39 0.775 -12.171 -9.560 1.00 21.11 H new ATOM 0 HA LYS A 39 1.537 -10.597 -7.405 1.00 72.43 H new ATOM 0 HB2 LYS A 39 2.380 -12.876 -8.110 1.00 64.31 H new ATOM 0 HB3 LYS A 39 3.279 -12.115 -9.407 1.00 64.31 H new ATOM 0 HG2 LYS A 39 3.769 -11.295 -6.538 1.00 44.32 H new ATOM 0 HG3 LYS A 39 4.494 -12.757 -7.176 1.00 44.32 H new ATOM 0 HD2 LYS A 39 5.569 -11.434 -8.997 1.00 25.43 H new ATOM 0 HD3 LYS A 39 4.839 -9.971 -8.368 1.00 25.43 H new ATOM 0 HE2 LYS A 39 7.152 -10.130 -7.596 1.00 62.32 H new ATOM 0 HE3 LYS A 39 6.065 -10.261 -6.228 1.00 62.32 H new ATOM 0 HZ1 LYS A 39 6.823 -12.275 -5.761 1.00 25.32 H new ATOM 0 HZ2 LYS A 39 6.639 -12.821 -7.358 1.00 25.32 H new ATOM 0 HZ3 LYS A 39 8.056 -12.007 -6.898 1.00 25.32 H new ATOM 602 N GLU A 40 2.977 -9.511 -10.183 1.00 20.52 N ATOM 603 CA GLU A 40 3.642 -8.346 -10.781 1.00 3.10 C ATOM 604 C GLU A 40 2.677 -7.162 -10.954 1.00 13.31 C ATOM 605 O GLU A 40 3.075 -6.006 -10.819 1.00 24.54 O ATOM 606 CB GLU A 40 4.254 -8.738 -12.129 1.00 73.22 C ATOM 607 CG GLU A 40 3.227 -9.175 -13.168 1.00 34.23 C ATOM 608 CD GLU A 40 3.861 -9.864 -14.360 1.00 50.34 C ATOM 609 OE1 GLU A 40 4.293 -9.166 -15.304 1.00 74.25 O ATOM 610 OE2 GLU A 40 3.941 -11.108 -14.355 1.00 43.24 O ATOM 0 H GLU A 40 2.888 -10.311 -10.810 1.00 20.52 H new ATOM 0 HA GLU A 40 4.431 -8.023 -10.102 1.00 3.10 H new ATOM 0 HB2 GLU A 40 4.817 -7.891 -12.522 1.00 73.22 H new ATOM 0 HB3 GLU A 40 4.966 -9.548 -11.972 1.00 73.22 H new ATOM 0 HG2 GLU A 40 2.509 -9.850 -12.702 1.00 34.23 H new ATOM 0 HG3 GLU A 40 2.669 -8.304 -13.511 1.00 34.23 H new ATOM 617 N ALA A 41 1.408 -7.454 -11.243 1.00 33.51 N ATOM 618 CA ALA A 41 0.389 -6.409 -11.397 1.00 24.44 C ATOM 619 C ALA A 41 0.256 -5.579 -10.113 1.00 13.51 C ATOM 620 O ALA A 41 0.149 -4.350 -10.155 1.00 12.12 O ATOM 621 CB ALA A 41 -0.953 -7.028 -11.771 1.00 22.31 C ATOM 0 H ALA A 41 1.059 -8.403 -11.375 1.00 33.51 H new ATOM 0 HA ALA A 41 0.704 -5.743 -12.200 1.00 24.44 H new ATOM 0 HB1 ALA A 41 -1.699 -6.241 -11.882 1.00 22.31 H new ATOM 0 HB2 ALA A 41 -0.854 -7.569 -12.712 1.00 22.31 H new ATOM 0 HB3 ALA A 41 -1.267 -7.717 -10.987 1.00 22.31 H new ATOM 627 N LEU A 42 0.270 -6.263 -8.971 1.00 33.14 N ATOM 628 CA LEU A 42 0.236 -5.598 -7.666 1.00 13.21 C ATOM 629 C LEU A 42 1.494 -4.730 -7.473 1.00 1.24 C ATOM 630 O LEU A 42 1.412 -3.589 -7.008 1.00 13.34 O ATOM 631 CB LEU A 42 0.106 -6.658 -6.551 1.00 52.43 C ATOM 632 CG LEU A 42 -0.140 -6.129 -5.120 1.00 32.52 C ATOM 633 CD1 LEU A 42 -0.784 -7.211 -4.255 1.00 25.10 C ATOM 634 CD2 LEU A 42 1.160 -5.653 -4.469 1.00 43.44 C ATOM 0 H LEU A 42 0.305 -7.281 -8.921 1.00 33.14 H new ATOM 0 HA LEU A 42 -0.629 -4.937 -7.616 1.00 13.21 H new ATOM 0 HB2 LEU A 42 -0.713 -7.329 -6.812 1.00 52.43 H new ATOM 0 HB3 LEU A 42 1.017 -7.256 -6.541 1.00 52.43 H new ATOM 0 HG LEU A 42 -0.816 -5.278 -5.196 1.00 32.52 H new ATOM 0 HD11 LEU A 42 -0.951 -6.822 -3.250 1.00 25.10 H new ATOM 0 HD12 LEU A 42 -1.738 -7.507 -4.692 1.00 25.10 H new ATOM 0 HD13 LEU A 42 -0.124 -8.077 -4.204 1.00 25.10 H new ATOM 0 HD21 LEU A 42 0.951 -5.287 -3.464 1.00 43.44 H new ATOM 0 HD22 LEU A 42 1.865 -6.483 -4.414 1.00 43.44 H new ATOM 0 HD23 LEU A 42 1.592 -4.849 -5.065 1.00 43.44 H new ATOM 646 N LEU A 43 2.656 -5.273 -7.854 1.00 72.11 N ATOM 647 CA LEU A 43 3.922 -4.532 -7.767 1.00 21.22 C ATOM 648 C LEU A 43 3.877 -3.240 -8.593 1.00 41.30 C ATOM 649 O LEU A 43 4.278 -2.185 -8.116 1.00 65.00 O ATOM 650 CB LEU A 43 5.101 -5.400 -8.235 1.00 30.35 C ATOM 651 CG LEU A 43 5.376 -6.662 -7.403 1.00 35.42 C ATOM 652 CD1 LEU A 43 6.609 -7.386 -7.933 1.00 50.23 C ATOM 653 CD2 LEU A 43 5.540 -6.326 -5.921 1.00 44.14 C ATOM 0 H LEU A 43 2.747 -6.219 -8.224 1.00 72.11 H new ATOM 0 HA LEU A 43 4.066 -4.269 -6.719 1.00 21.22 H new ATOM 0 HB2 LEU A 43 4.919 -5.701 -9.267 1.00 30.35 H new ATOM 0 HB3 LEU A 43 6.001 -4.786 -8.236 1.00 30.35 H new ATOM 0 HG LEU A 43 4.515 -7.324 -7.497 1.00 35.42 H new ATOM 0 HD11 LEU A 43 6.792 -8.278 -7.334 1.00 50.23 H new ATOM 0 HD12 LEU A 43 6.444 -7.673 -8.971 1.00 50.23 H new ATOM 0 HD13 LEU A 43 7.473 -6.725 -7.873 1.00 50.23 H new ATOM 0 HD21 LEU A 43 5.733 -7.240 -5.360 1.00 44.14 H new ATOM 0 HD22 LEU A 43 6.376 -5.639 -5.794 1.00 44.14 H new ATOM 0 HD23 LEU A 43 4.627 -5.859 -5.551 1.00 44.14 H new ATOM 665 N GLU A 44 3.385 -3.330 -9.830 1.00 51.04 N ATOM 666 CA GLU A 44 3.279 -2.159 -10.713 1.00 42.14 C ATOM 667 C GLU A 44 2.411 -1.049 -10.096 1.00 40.23 C ATOM 668 O GLU A 44 2.697 0.140 -10.252 1.00 32.42 O ATOM 669 CB GLU A 44 2.707 -2.572 -12.077 1.00 50.21 C ATOM 670 CG GLU A 44 3.645 -3.450 -12.899 1.00 24.32 C ATOM 671 CD GLU A 44 4.974 -2.769 -13.190 1.00 45.54 C ATOM 672 OE1 GLU A 44 4.980 -1.759 -13.927 1.00 12.34 O ATOM 673 OE2 GLU A 44 6.015 -3.223 -12.670 1.00 74.41 O ATOM 0 H GLU A 44 3.053 -4.200 -10.246 1.00 51.04 H new ATOM 0 HA GLU A 44 4.284 -1.759 -10.845 1.00 42.14 H new ATOM 0 HB2 GLU A 44 1.769 -3.105 -11.921 1.00 50.21 H new ATOM 0 HB3 GLU A 44 2.471 -1.674 -12.648 1.00 50.21 H new ATOM 0 HG2 GLU A 44 3.827 -4.382 -12.364 1.00 24.32 H new ATOM 0 HG3 GLU A 44 3.161 -3.712 -13.840 1.00 24.32 H new ATOM 680 N CYS A 45 1.350 -1.445 -9.394 1.00 61.54 N ATOM 681 CA CYS A 45 0.472 -0.485 -8.715 1.00 44.24 C ATOM 682 C CYS A 45 1.210 0.226 -7.568 1.00 31.30 C ATOM 683 O CYS A 45 1.140 1.449 -7.433 1.00 2.23 O ATOM 684 CB CYS A 45 -0.782 -1.192 -8.181 1.00 24.55 C ATOM 685 SG CYS A 45 -1.807 -1.948 -9.466 1.00 50.45 S ATOM 0 H CYS A 45 1.076 -2.421 -9.279 1.00 61.54 H new ATOM 0 HA CYS A 45 0.170 0.268 -9.443 1.00 44.24 H new ATOM 0 HB2 CYS A 45 -0.478 -1.963 -7.473 1.00 24.55 H new ATOM 0 HB3 CYS A 45 -1.384 -0.472 -7.628 1.00 24.55 H new ATOM 0 HG CYS A 45 -1.206 -3.000 -9.937 1.00 50.45 H new ATOM 691 N ALA A 46 1.926 -0.546 -6.751 1.00 5.44 N ATOM 692 CA ALA A 46 2.721 0.010 -5.647 1.00 64.23 C ATOM 693 C ALA A 46 3.951 0.777 -6.163 1.00 74.44 C ATOM 694 O ALA A 46 4.427 1.724 -5.530 1.00 4.41 O ATOM 695 CB ALA A 46 3.144 -1.108 -4.701 1.00 4.41 C ATOM 0 H ALA A 46 1.974 -1.562 -6.830 1.00 5.44 H new ATOM 0 HA ALA A 46 2.098 0.722 -5.106 1.00 64.23 H new ATOM 0 HB1 ALA A 46 3.733 -0.690 -3.884 1.00 4.41 H new ATOM 0 HB2 ALA A 46 2.258 -1.597 -4.296 1.00 4.41 H new ATOM 0 HB3 ALA A 46 3.744 -1.837 -5.245 1.00 4.41 H new ATOM 701 N ASP A 47 4.448 0.354 -7.321 1.00 42.43 N ATOM 702 CA ASP A 47 5.594 0.987 -7.978 1.00 51.21 C ATOM 703 C ASP A 47 5.335 2.487 -8.197 1.00 24.14 C ATOM 704 O ASP A 47 6.210 3.328 -7.960 1.00 33.43 O ATOM 705 CB ASP A 47 5.852 0.269 -9.311 1.00 34.40 C ATOM 706 CG ASP A 47 7.083 0.768 -10.043 1.00 72.34 C ATOM 707 OD1 ASP A 47 8.197 0.622 -9.504 1.00 41.00 O ATOM 708 OD2 ASP A 47 6.940 1.294 -11.170 1.00 52.33 O ATOM 0 H ASP A 47 4.068 -0.441 -7.835 1.00 42.43 H new ATOM 0 HA ASP A 47 6.477 0.902 -7.344 1.00 51.21 H new ATOM 0 HB2 ASP A 47 5.960 -0.799 -9.123 1.00 34.40 H new ATOM 0 HB3 ASP A 47 4.982 0.393 -9.955 1.00 34.40 H new ATOM 713 N LEU A 48 4.115 2.811 -8.620 1.00 51.12 N ATOM 714 CA LEU A 48 3.695 4.205 -8.794 1.00 4.33 C ATOM 715 C LEU A 48 3.766 4.996 -7.478 1.00 11.43 C ATOM 716 O LEU A 48 4.170 6.155 -7.470 1.00 34.00 O ATOM 717 CB LEU A 48 2.270 4.262 -9.357 1.00 1.11 C ATOM 718 CG LEU A 48 2.121 3.792 -10.813 1.00 73.22 C ATOM 719 CD1 LEU A 48 0.654 3.803 -11.242 1.00 14.42 C ATOM 720 CD2 LEU A 48 2.964 4.667 -11.740 1.00 13.11 C ATOM 0 H LEU A 48 3.395 2.126 -8.850 1.00 51.12 H new ATOM 0 HA LEU A 48 4.387 4.667 -9.498 1.00 4.33 H new ATOM 0 HB2 LEU A 48 1.623 3.651 -8.727 1.00 1.11 H new ATOM 0 HB3 LEU A 48 1.909 5.288 -9.285 1.00 1.11 H new ATOM 0 HG LEU A 48 2.482 2.766 -10.882 1.00 73.22 H new ATOM 0 HD11 LEU A 48 0.575 3.467 -12.276 1.00 14.42 H new ATOM 0 HD12 LEU A 48 0.082 3.135 -10.598 1.00 14.42 H new ATOM 0 HD13 LEU A 48 0.258 4.815 -11.158 1.00 14.42 H new ATOM 0 HD21 LEU A 48 2.850 4.324 -12.768 1.00 13.11 H new ATOM 0 HD22 LEU A 48 2.632 5.702 -11.664 1.00 13.11 H new ATOM 0 HD23 LEU A 48 4.012 4.600 -11.450 1.00 13.11 H new ATOM 732 N LEU A 49 3.376 4.366 -6.371 1.00 20.40 N ATOM 733 CA LEU A 49 3.394 5.031 -5.059 1.00 51.23 C ATOM 734 C LEU A 49 4.825 5.367 -4.609 1.00 32.14 C ATOM 735 O LEU A 49 5.080 6.461 -4.110 1.00 13.25 O ATOM 736 CB LEU A 49 2.687 4.174 -3.992 1.00 4.30 C ATOM 737 CG LEU A 49 1.146 4.216 -4.021 1.00 63.14 C ATOM 738 CD1 LEU A 49 0.605 3.701 -5.349 1.00 12.41 C ATOM 739 CD2 LEU A 49 0.564 3.418 -2.855 1.00 43.33 C ATOM 0 H LEU A 49 3.045 3.402 -6.351 1.00 20.40 H new ATOM 0 HA LEU A 49 2.849 5.968 -5.170 1.00 51.23 H new ATOM 0 HB2 LEU A 49 3.007 3.139 -4.112 1.00 4.30 H new ATOM 0 HB3 LEU A 49 3.024 4.500 -3.008 1.00 4.30 H new ATOM 0 HG LEU A 49 0.837 5.256 -3.916 1.00 63.14 H new ATOM 0 HD11 LEU A 49 -0.484 3.743 -5.339 1.00 12.41 H new ATOM 0 HD12 LEU A 49 0.985 4.321 -6.161 1.00 12.41 H new ATOM 0 HD13 LEU A 49 0.927 2.670 -5.498 1.00 12.41 H new ATOM 0 HD21 LEU A 49 -0.525 3.460 -2.893 1.00 43.33 H new ATOM 0 HD22 LEU A 49 0.890 2.380 -2.926 1.00 43.33 H new ATOM 0 HD23 LEU A 49 0.911 3.844 -1.914 1.00 43.33 H new ATOM 751 N SER A 50 5.759 4.430 -4.796 1.00 73.32 N ATOM 752 CA SER A 50 7.168 4.667 -4.430 1.00 4.52 C ATOM 753 C SER A 50 7.701 5.923 -5.136 1.00 32.12 C ATOM 754 O SER A 50 8.337 6.778 -4.520 1.00 4.23 O ATOM 755 CB SER A 50 8.048 3.462 -4.800 1.00 31.22 C ATOM 756 OG SER A 50 8.300 3.409 -6.199 1.00 51.15 O ATOM 0 H SER A 50 5.574 3.509 -5.194 1.00 73.32 H new ATOM 0 HA SER A 50 7.209 4.812 -3.350 1.00 4.52 H new ATOM 0 HB2 SER A 50 8.994 3.522 -4.261 1.00 31.22 H new ATOM 0 HB3 SER A 50 7.558 2.542 -4.483 1.00 31.22 H new ATOM 0 HG SER A 50 7.455 3.287 -6.679 1.00 51.15 H new ATOM 762 N SER A 51 7.425 6.020 -6.437 1.00 71.22 N ATOM 763 CA SER A 51 7.799 7.199 -7.235 1.00 43.21 C ATOM 764 C SER A 51 7.016 8.452 -6.804 1.00 60.02 C ATOM 765 O SER A 51 7.590 9.521 -6.617 1.00 70.35 O ATOM 766 CB SER A 51 7.553 6.931 -8.730 1.00 30.44 C ATOM 767 OG SER A 51 8.390 5.886 -9.212 1.00 3.21 O ATOM 0 H SER A 51 6.942 5.295 -6.967 1.00 71.22 H new ATOM 0 HA SER A 51 8.859 7.384 -7.063 1.00 43.21 H new ATOM 0 HB2 SER A 51 6.508 6.664 -8.887 1.00 30.44 H new ATOM 0 HB3 SER A 51 7.739 7.841 -9.300 1.00 30.44 H new ATOM 0 HG SER A 51 8.211 5.736 -10.164 1.00 3.21 H new ATOM 773 N ALA A 52 5.705 8.304 -6.631 1.00 62.10 N ATOM 774 CA ALA A 52 4.825 9.432 -6.289 1.00 55.14 C ATOM 775 C ALA A 52 5.148 10.042 -4.910 1.00 55.15 C ATOM 776 O ALA A 52 4.851 11.205 -4.654 1.00 70.35 O ATOM 777 CB ALA A 52 3.366 8.985 -6.343 1.00 43.44 C ATOM 0 H ALA A 52 5.221 7.411 -6.721 1.00 62.10 H new ATOM 0 HA ALA A 52 4.999 10.215 -7.027 1.00 55.14 H new ATOM 0 HB1 ALA A 52 2.719 9.824 -6.089 1.00 43.44 H new ATOM 0 HB2 ALA A 52 3.129 8.636 -7.348 1.00 43.44 H new ATOM 0 HB3 ALA A 52 3.207 8.175 -5.631 1.00 43.44 H new ATOM 783 N LEU A 53 5.748 9.250 -4.024 1.00 72.13 N ATOM 784 CA LEU A 53 6.122 9.727 -2.683 1.00 41.10 C ATOM 785 C LEU A 53 7.522 10.369 -2.667 1.00 41.22 C ATOM 786 O LEU A 53 7.987 10.850 -1.627 1.00 73.13 O ATOM 787 CB LEU A 53 6.046 8.568 -1.680 1.00 53.32 C ATOM 788 CG LEU A 53 4.631 8.008 -1.449 1.00 64.22 C ATOM 789 CD1 LEU A 53 4.675 6.738 -0.608 1.00 14.02 C ATOM 790 CD2 LEU A 53 3.739 9.059 -0.790 1.00 52.20 C ATOM 0 H LEU A 53 5.988 8.275 -4.205 1.00 72.13 H new ATOM 0 HA LEU A 53 5.413 10.503 -2.393 1.00 41.10 H new ATOM 0 HB2 LEU A 53 6.689 7.760 -2.030 1.00 53.32 H new ATOM 0 HB3 LEU A 53 6.449 8.905 -0.725 1.00 53.32 H new ATOM 0 HG LEU A 53 4.206 7.754 -2.420 1.00 64.22 H new ATOM 0 HD11 LEU A 53 3.662 6.364 -0.460 1.00 14.02 H new ATOM 0 HD12 LEU A 53 5.270 5.982 -1.121 1.00 14.02 H new ATOM 0 HD13 LEU A 53 5.125 6.958 0.360 1.00 14.02 H new ATOM 0 HD21 LEU A 53 2.743 8.645 -0.635 1.00 52.20 H new ATOM 0 HD22 LEU A 53 4.166 9.348 0.170 1.00 52.20 H new ATOM 0 HD23 LEU A 53 3.671 9.935 -1.435 1.00 52.20 H new ATOM 802 N THR A 54 8.197 10.361 -3.817 1.00 4.30 N ATOM 803 CA THR A 54 9.495 11.037 -3.965 1.00 11.33 C ATOM 804 C THR A 54 9.362 12.297 -4.834 1.00 73.41 C ATOM 805 O THR A 54 9.885 13.361 -4.493 1.00 43.11 O ATOM 806 CB THR A 54 10.563 10.105 -4.592 1.00 2.32 C ATOM 807 OG1 THR A 54 10.180 9.735 -5.924 1.00 3.44 O ATOM 808 CG2 THR A 54 10.761 8.847 -3.750 1.00 20.04 C ATOM 0 H THR A 54 7.869 9.894 -4.663 1.00 4.30 H new ATOM 0 HA THR A 54 9.818 11.315 -2.962 1.00 11.33 H new ATOM 0 HB THR A 54 11.505 10.653 -4.623 1.00 2.32 H new ATOM 0 HG1 THR A 54 9.235 9.475 -5.932 1.00 3.44 H new ATOM 0 HG21 THR A 54 11.516 8.213 -4.215 1.00 20.04 H new ATOM 0 HG22 THR A 54 11.089 9.127 -2.749 1.00 20.04 H new ATOM 0 HG23 THR A 54 9.820 8.301 -3.684 1.00 20.04 H new ATOM 816 N GLU A 55 8.667 12.162 -5.964 1.00 44.13 N ATOM 817 CA GLU A 55 8.399 13.291 -6.866 1.00 42.53 C ATOM 818 C GLU A 55 7.200 14.129 -6.370 1.00 60.53 C ATOM 819 O GLU A 55 6.397 13.659 -5.567 1.00 21.32 O ATOM 820 CB GLU A 55 8.120 12.769 -8.288 1.00 70.35 C ATOM 821 CG GLU A 55 6.831 11.956 -8.410 1.00 44.51 C ATOM 822 CD GLU A 55 6.564 11.473 -9.828 1.00 3.51 C ATOM 823 OE1 GLU A 55 6.082 12.276 -10.655 1.00 43.03 O ATOM 824 OE2 GLU A 55 6.837 10.286 -10.127 1.00 44.44 O ATOM 0 H GLU A 55 8.275 11.275 -6.281 1.00 44.13 H new ATOM 0 HA GLU A 55 9.280 13.933 -6.879 1.00 42.53 H new ATOM 0 HB2 GLU A 55 8.069 13.616 -8.972 1.00 70.35 H new ATOM 0 HB3 GLU A 55 8.959 12.151 -8.608 1.00 70.35 H new ATOM 0 HG2 GLU A 55 6.886 11.095 -7.743 1.00 44.51 H new ATOM 0 HG3 GLU A 55 5.991 12.565 -8.075 1.00 44.51 H new ATOM 831 N PRO A 56 7.061 15.393 -6.823 1.00 32.45 N ATOM 832 CA PRO A 56 5.904 16.230 -6.458 1.00 64.41 C ATOM 833 C PRO A 56 4.592 15.751 -7.112 1.00 12.14 C ATOM 834 O PRO A 56 4.488 15.666 -8.338 1.00 13.21 O ATOM 835 CB PRO A 56 6.287 17.631 -6.980 1.00 30.33 C ATOM 836 CG PRO A 56 7.746 17.553 -7.303 1.00 63.20 C ATOM 837 CD PRO A 56 8.010 16.120 -7.678 1.00 54.30 C ATOM 0 HA PRO A 56 5.710 16.199 -5.386 1.00 64.41 H new ATOM 0 HB2 PRO A 56 5.703 17.894 -7.862 1.00 30.33 H new ATOM 0 HB3 PRO A 56 6.092 18.396 -6.229 1.00 30.33 H new ATOM 0 HG2 PRO A 56 8.001 18.224 -8.123 1.00 63.20 H new ATOM 0 HG3 PRO A 56 8.352 17.851 -6.447 1.00 63.20 H new ATOM 0 HD2 PRO A 56 7.827 15.936 -8.737 1.00 54.30 H new ATOM 0 HD3 PRO A 56 9.042 15.831 -7.478 1.00 54.30 H new ATOM 845 N VAL A 57 3.595 15.453 -6.277 1.00 52.31 N ATOM 846 CA VAL A 57 2.263 15.032 -6.739 1.00 23.13 C ATOM 847 C VAL A 57 1.160 15.618 -5.833 1.00 74.22 C ATOM 848 O VAL A 57 1.430 16.003 -4.695 1.00 11.51 O ATOM 849 CB VAL A 57 2.129 13.484 -6.758 1.00 2.25 C ATOM 850 CG1 VAL A 57 3.073 12.855 -7.784 1.00 51.43 C ATOM 851 CG2 VAL A 57 2.378 12.908 -5.366 1.00 21.41 C ATOM 0 H VAL A 57 3.684 15.495 -5.262 1.00 52.31 H new ATOM 0 HA VAL A 57 2.144 15.409 -7.755 1.00 23.13 H new ATOM 0 HB VAL A 57 1.109 13.240 -7.056 1.00 2.25 H new ATOM 0 HG11 VAL A 57 2.954 11.772 -7.772 1.00 51.43 H new ATOM 0 HG12 VAL A 57 2.836 13.235 -8.778 1.00 51.43 H new ATOM 0 HG13 VAL A 57 4.103 13.110 -7.535 1.00 51.43 H new ATOM 0 HG21 VAL A 57 2.280 11.823 -5.398 1.00 21.41 H new ATOM 0 HG22 VAL A 57 3.383 13.172 -5.038 1.00 21.41 H new ATOM 0 HG23 VAL A 57 1.649 13.317 -4.667 1.00 21.41 H new ATOM 861 N PRO A 58 -0.098 15.709 -6.322 1.00 45.23 N ATOM 862 CA PRO A 58 -1.235 16.177 -5.505 1.00 12.54 C ATOM 863 C PRO A 58 -1.681 15.152 -4.444 1.00 21.21 C ATOM 864 O PRO A 58 -1.598 13.936 -4.656 1.00 0.42 O ATOM 865 CB PRO A 58 -2.363 16.398 -6.532 1.00 72.00 C ATOM 866 CG PRO A 58 -1.721 16.279 -7.877 1.00 2.30 C ATOM 867 CD PRO A 58 -0.517 15.394 -7.694 1.00 74.40 C ATOM 0 HA PRO A 58 -0.968 17.070 -4.940 1.00 12.54 H new ATOM 0 HB2 PRO A 58 -3.153 15.658 -6.410 1.00 72.00 H new ATOM 0 HB3 PRO A 58 -2.822 17.378 -6.403 1.00 72.00 H new ATOM 0 HG2 PRO A 58 -2.413 15.849 -8.601 1.00 2.30 H new ATOM 0 HG3 PRO A 58 -1.430 17.258 -8.257 1.00 2.30 H new ATOM 0 HD2 PRO A 58 -0.767 14.339 -7.810 1.00 74.40 H new ATOM 0 HD3 PRO A 58 0.265 15.618 -8.419 1.00 74.40 H new ATOM 875 N ASN A 59 -2.181 15.649 -3.310 1.00 20.22 N ATOM 876 CA ASN A 59 -2.681 14.786 -2.229 1.00 40.45 C ATOM 877 C ASN A 59 -3.804 13.860 -2.726 1.00 74.44 C ATOM 878 O ASN A 59 -3.910 12.706 -2.299 1.00 32.13 O ATOM 879 CB ASN A 59 -3.180 15.650 -1.061 1.00 50.43 C ATOM 880 CG ASN A 59 -3.699 14.836 0.120 1.00 43.33 C ATOM 881 OD1 ASN A 59 -4.595 15.264 0.835 1.00 50.14 O ATOM 882 ND2 ASN A 59 -3.135 13.666 0.346 1.00 42.52 N ATOM 0 H ASN A 59 -2.252 16.647 -3.113 1.00 20.22 H new ATOM 0 HA ASN A 59 -1.859 14.157 -1.887 1.00 40.45 H new ATOM 0 HB2 ASN A 59 -2.367 16.291 -0.721 1.00 50.43 H new ATOM 0 HB3 ASN A 59 -3.975 16.305 -1.418 1.00 50.43 H new ATOM 0 HD21 ASN A 59 -3.444 13.094 1.132 1.00 42.52 H new ATOM 0 HD22 ASN A 59 -2.390 13.332 -0.265 1.00 42.52 H new ATOM 889 N SER A 60 -4.626 14.369 -3.641 1.00 62.32 N ATOM 890 CA SER A 60 -5.732 13.592 -4.214 1.00 71.43 C ATOM 891 C SER A 60 -5.209 12.356 -4.955 1.00 64.15 C ATOM 892 O SER A 60 -5.682 11.239 -4.733 1.00 34.13 O ATOM 893 CB SER A 60 -6.563 14.459 -5.170 1.00 10.55 C ATOM 894 OG SER A 60 -7.650 13.729 -5.723 1.00 45.15 O ATOM 0 H SER A 60 -4.550 15.319 -4.005 1.00 62.32 H new ATOM 0 HA SER A 60 -6.367 13.261 -3.392 1.00 71.43 H new ATOM 0 HB2 SER A 60 -6.943 15.330 -4.636 1.00 10.55 H new ATOM 0 HB3 SER A 60 -5.926 14.830 -5.973 1.00 10.55 H new ATOM 0 HG SER A 60 -8.160 14.309 -6.326 1.00 45.15 H new ATOM 900 N GLN A 61 -4.220 12.564 -5.828 1.00 63.10 N ATOM 901 CA GLN A 61 -3.580 11.459 -6.552 1.00 62.24 C ATOM 902 C GLN A 61 -3.072 10.377 -5.589 1.00 4.12 C ATOM 903 O GLN A 61 -3.315 9.192 -5.797 1.00 1.43 O ATOM 904 CB GLN A 61 -2.410 11.969 -7.408 1.00 74.32 C ATOM 905 CG GLN A 61 -1.630 10.850 -8.106 1.00 72.22 C ATOM 906 CD GLN A 61 -0.434 11.341 -8.910 1.00 43.42 C ATOM 907 OE1 GLN A 61 0.572 10.652 -9.025 1.00 24.35 O ATOM 908 NE2 GLN A 61 -0.540 12.516 -9.496 1.00 15.23 N ATOM 0 H GLN A 61 -3.844 13.486 -6.051 1.00 63.10 H new ATOM 0 HA GLN A 61 -4.337 11.021 -7.202 1.00 62.24 H new ATOM 0 HB2 GLN A 61 -2.794 12.658 -8.161 1.00 74.32 H new ATOM 0 HB3 GLN A 61 -1.728 12.537 -6.775 1.00 74.32 H new ATOM 0 HG2 GLN A 61 -1.284 10.139 -7.356 1.00 72.22 H new ATOM 0 HG3 GLN A 61 -2.305 10.310 -8.770 1.00 72.22 H new ATOM 0 HE21 GLN A 61 -1.390 13.068 -9.382 1.00 15.23 H new ATOM 0 HE22 GLN A 61 0.228 12.874 -10.064 1.00 15.23 H new ATOM 917 N LEU A 62 -2.365 10.796 -4.541 1.00 31.03 N ATOM 918 CA LEU A 62 -1.824 9.861 -3.540 1.00 63.33 C ATOM 919 C LEU A 62 -2.914 8.949 -2.953 1.00 0.23 C ATOM 920 O LEU A 62 -2.803 7.722 -2.993 1.00 21.32 O ATOM 921 CB LEU A 62 -1.135 10.644 -2.410 1.00 22.12 C ATOM 922 CG LEU A 62 0.148 11.386 -2.817 1.00 2.21 C ATOM 923 CD1 LEU A 62 0.647 12.272 -1.678 1.00 4.43 C ATOM 924 CD2 LEU A 62 1.229 10.390 -3.239 1.00 33.02 C ATOM 0 H LEU A 62 -2.150 11.776 -4.358 1.00 31.03 H new ATOM 0 HA LEU A 62 -1.098 9.224 -4.045 1.00 63.33 H new ATOM 0 HB2 LEU A 62 -1.843 11.369 -2.008 1.00 22.12 H new ATOM 0 HB3 LEU A 62 -0.895 9.951 -1.603 1.00 22.12 H new ATOM 0 HG LEU A 62 -0.082 12.027 -3.668 1.00 2.21 H new ATOM 0 HD11 LEU A 62 1.556 12.787 -1.989 1.00 4.43 H new ATOM 0 HD12 LEU A 62 -0.118 13.006 -1.426 1.00 4.43 H new ATOM 0 HD13 LEU A 62 0.860 11.656 -0.804 1.00 4.43 H new ATOM 0 HD21 LEU A 62 2.131 10.931 -3.524 1.00 33.02 H new ATOM 0 HD22 LEU A 62 1.454 9.723 -2.407 1.00 33.02 H new ATOM 0 HD23 LEU A 62 0.874 9.805 -4.087 1.00 33.02 H new ATOM 936 N VAL A 63 -3.971 9.556 -2.424 1.00 11.34 N ATOM 937 CA VAL A 63 -5.047 8.804 -1.774 1.00 31.33 C ATOM 938 C VAL A 63 -5.817 7.916 -2.769 1.00 12.24 C ATOM 939 O VAL A 63 -6.093 6.744 -2.488 1.00 22.32 O ATOM 940 CB VAL A 63 -6.041 9.752 -1.053 1.00 71.42 C ATOM 941 CG1 VAL A 63 -7.149 8.959 -0.356 1.00 35.11 C ATOM 942 CG2 VAL A 63 -5.304 10.645 -0.055 1.00 22.03 C ATOM 0 H VAL A 63 -4.109 10.567 -2.431 1.00 11.34 H new ATOM 0 HA VAL A 63 -4.568 8.159 -1.038 1.00 31.33 H new ATOM 0 HB VAL A 63 -6.507 10.389 -1.805 1.00 71.42 H new ATOM 0 HG11 VAL A 63 -7.832 9.648 0.141 1.00 35.11 H new ATOM 0 HG12 VAL A 63 -7.698 8.374 -1.094 1.00 35.11 H new ATOM 0 HG13 VAL A 63 -6.708 8.289 0.382 1.00 35.11 H new ATOM 0 HG21 VAL A 63 -6.018 11.303 0.441 1.00 22.03 H new ATOM 0 HG22 VAL A 63 -4.805 10.024 0.689 1.00 22.03 H new ATOM 0 HG23 VAL A 63 -4.563 11.246 -0.582 1.00 22.03 H new ATOM 952 N ASP A 64 -6.158 8.464 -3.935 1.00 31.25 N ATOM 953 CA ASP A 64 -6.940 7.713 -4.921 1.00 5.53 C ATOM 954 C ASP A 64 -6.113 6.596 -5.578 1.00 42.11 C ATOM 955 O ASP A 64 -6.591 5.472 -5.738 1.00 30.04 O ATOM 956 CB ASP A 64 -7.521 8.644 -5.985 1.00 45.01 C ATOM 957 CG ASP A 64 -8.560 7.930 -6.829 1.00 63.13 C ATOM 958 OD1 ASP A 64 -9.525 7.383 -6.247 1.00 20.54 O ATOM 959 OD2 ASP A 64 -8.422 7.897 -8.066 1.00 34.30 O ATOM 0 H ASP A 64 -5.910 9.412 -4.219 1.00 31.25 H new ATOM 0 HA ASP A 64 -7.764 7.243 -4.384 1.00 5.53 H new ATOM 0 HB2 ASP A 64 -7.972 9.512 -5.505 1.00 45.01 H new ATOM 0 HB3 ASP A 64 -6.720 9.014 -6.625 1.00 45.01 H new ATOM 964 N THR A 65 -4.873 6.899 -5.954 1.00 5.13 N ATOM 965 CA THR A 65 -3.967 5.875 -6.499 1.00 51.12 C ATOM 966 C THR A 65 -3.718 4.777 -5.457 1.00 60.13 C ATOM 967 O THR A 65 -3.530 3.612 -5.796 1.00 4.03 O ATOM 968 CB THR A 65 -2.610 6.473 -6.956 1.00 63.25 C ATOM 969 OG1 THR A 65 -2.831 7.517 -7.915 1.00 52.15 O ATOM 970 CG2 THR A 65 -1.712 5.408 -7.580 1.00 70.44 C ATOM 0 H THR A 65 -4.470 7.834 -5.895 1.00 5.13 H new ATOM 0 HA THR A 65 -4.456 5.451 -7.376 1.00 51.12 H new ATOM 0 HB THR A 65 -2.113 6.874 -6.073 1.00 63.25 H new ATOM 0 HG1 THR A 65 -3.053 8.349 -7.447 1.00 52.15 H new ATOM 0 HG21 THR A 65 -0.770 5.862 -7.889 1.00 70.44 H new ATOM 0 HG22 THR A 65 -1.515 4.624 -6.849 1.00 70.44 H new ATOM 0 HG23 THR A 65 -2.209 4.977 -8.449 1.00 70.44 H new ATOM 978 N GLY A 66 -3.726 5.165 -4.182 1.00 40.14 N ATOM 979 CA GLY A 66 -3.638 4.195 -3.098 1.00 12.43 C ATOM 980 C GLY A 66 -4.881 3.309 -2.992 1.00 14.30 C ATOM 981 O GLY A 66 -4.795 2.156 -2.571 1.00 52.22 O ATOM 0 H GLY A 66 -3.792 6.137 -3.879 1.00 40.14 H new ATOM 0 HA2 GLY A 66 -2.761 3.566 -3.250 1.00 12.43 H new ATOM 0 HA3 GLY A 66 -3.492 4.723 -2.155 1.00 12.43 H new ATOM 985 N HIS A 67 -6.044 3.844 -3.387 1.00 33.33 N ATOM 986 CA HIS A 67 -7.303 3.084 -3.335 1.00 55.24 C ATOM 987 C HIS A 67 -7.206 1.753 -4.106 1.00 35.23 C ATOM 988 O HIS A 67 -7.651 0.711 -3.619 1.00 4.50 O ATOM 989 CB HIS A 67 -8.473 3.908 -3.893 1.00 23.21 C ATOM 990 CG HIS A 67 -8.904 5.048 -3.021 1.00 62.14 C ATOM 991 ND1 HIS A 67 -9.423 6.223 -3.520 1.00 5.25 N ATOM 992 CD2 HIS A 67 -8.932 5.173 -1.672 1.00 51.45 C ATOM 993 CE1 HIS A 67 -9.750 7.017 -2.521 1.00 0.03 C ATOM 994 NE2 HIS A 67 -9.464 6.405 -1.389 1.00 73.34 N ATOM 0 H HIS A 67 -6.141 4.794 -3.744 1.00 33.33 H new ATOM 0 HA HIS A 67 -7.486 2.863 -2.284 1.00 55.24 H new ATOM 0 HB2 HIS A 67 -8.190 4.301 -4.870 1.00 23.21 H new ATOM 0 HB3 HIS A 67 -9.324 3.246 -4.050 1.00 23.21 H new ATOM 0 HD1 HIS A 67 -9.536 6.444 -4.509 1.00 5.25 H new ATOM 0 HD2 HIS A 67 -8.598 4.439 -0.954 1.00 51.45 H new ATOM 0 HE1 HIS A 67 -10.180 8.003 -2.614 1.00 0.03 H new ATOM 1003 N GLN A 68 -6.634 1.790 -5.313 1.00 20.42 N ATOM 1004 CA GLN A 68 -6.487 0.570 -6.122 1.00 44.11 C ATOM 1005 C GLN A 68 -5.522 -0.426 -5.457 1.00 74.42 C ATOM 1006 O GLN A 68 -5.652 -1.636 -5.635 1.00 35.13 O ATOM 1007 CB GLN A 68 -6.022 0.898 -7.551 1.00 54.11 C ATOM 1008 CG GLN A 68 -4.616 1.477 -7.642 1.00 33.23 C ATOM 1009 CD GLN A 68 -4.204 1.796 -9.069 1.00 52.21 C ATOM 1010 OE1 GLN A 68 -4.638 1.149 -10.015 1.00 75.32 O ATOM 1011 NE2 GLN A 68 -3.363 2.794 -9.235 1.00 14.22 N ATOM 0 H GLN A 68 -6.269 2.637 -5.749 1.00 20.42 H new ATOM 0 HA GLN A 68 -7.470 0.102 -6.185 1.00 44.11 H new ATOM 0 HB2 GLN A 68 -6.066 -0.011 -8.151 1.00 54.11 H new ATOM 0 HB3 GLN A 68 -6.722 1.607 -7.993 1.00 54.11 H new ATOM 0 HG2 GLN A 68 -4.562 2.385 -7.041 1.00 33.23 H new ATOM 0 HG3 GLN A 68 -3.907 0.768 -7.213 1.00 33.23 H new ATOM 0 HE21 GLN A 68 -3.021 3.312 -8.426 1.00 14.22 H new ATOM 0 HE22 GLN A 68 -3.053 3.049 -10.173 1.00 14.22 H new ATOM 1020 N LEU A 69 -4.564 0.081 -4.681 1.00 5.32 N ATOM 1021 CA LEU A 69 -3.682 -0.789 -3.891 1.00 4.40 C ATOM 1022 C LEU A 69 -4.488 -1.565 -2.846 1.00 61.33 C ATOM 1023 O LEU A 69 -4.283 -2.759 -2.659 1.00 71.12 O ATOM 1024 CB LEU A 69 -2.561 0.018 -3.209 1.00 65.43 C ATOM 1025 CG LEU A 69 -1.309 0.267 -4.067 1.00 61.11 C ATOM 1026 CD1 LEU A 69 -0.643 -1.058 -4.435 1.00 40.14 C ATOM 1027 CD2 LEU A 69 -1.652 1.065 -5.321 1.00 41.42 C ATOM 0 H LEU A 69 -4.377 1.079 -4.580 1.00 5.32 H new ATOM 0 HA LEU A 69 -3.217 -1.499 -4.576 1.00 4.40 H new ATOM 0 HB2 LEU A 69 -2.967 0.982 -2.901 1.00 65.43 H new ATOM 0 HB3 LEU A 69 -2.260 -0.506 -2.302 1.00 65.43 H new ATOM 0 HG LEU A 69 -0.606 0.857 -3.478 1.00 61.11 H new ATOM 0 HD11 LEU A 69 0.241 -0.864 -5.042 1.00 40.14 H new ATOM 0 HD12 LEU A 69 -0.351 -1.583 -3.526 1.00 40.14 H new ATOM 0 HD13 LEU A 69 -1.344 -1.673 -5.000 1.00 40.14 H new ATOM 0 HD21 LEU A 69 -0.748 1.226 -5.908 1.00 41.42 H new ATOM 0 HD22 LEU A 69 -2.378 0.512 -5.917 1.00 41.42 H new ATOM 0 HD23 LEU A 69 -2.075 2.028 -5.035 1.00 41.42 H new ATOM 1039 N LEU A 70 -5.410 -0.879 -2.173 1.00 14.41 N ATOM 1040 CA LEU A 70 -6.321 -1.535 -1.226 1.00 4.14 C ATOM 1041 C LEU A 70 -7.228 -2.553 -1.937 1.00 41.32 C ATOM 1042 O LEU A 70 -7.539 -3.606 -1.386 1.00 0.20 O ATOM 1043 CB LEU A 70 -7.170 -0.495 -0.473 1.00 23.20 C ATOM 1044 CG LEU A 70 -6.478 0.185 0.723 1.00 43.34 C ATOM 1045 CD1 LEU A 70 -6.117 -0.845 1.787 1.00 44.01 C ATOM 1046 CD2 LEU A 70 -5.236 0.956 0.283 1.00 62.51 C ATOM 0 H LEU A 70 -5.549 0.128 -2.263 1.00 14.41 H new ATOM 0 HA LEU A 70 -5.710 -2.074 -0.502 1.00 4.14 H new ATOM 0 HB2 LEU A 70 -7.478 0.276 -1.179 1.00 23.20 H new ATOM 0 HB3 LEU A 70 -8.078 -0.982 -0.116 1.00 23.20 H new ATOM 0 HG LEU A 70 -7.180 0.900 1.151 1.00 43.34 H new ATOM 0 HD11 LEU A 70 -5.629 -0.347 2.625 1.00 44.01 H new ATOM 0 HD12 LEU A 70 -7.023 -1.340 2.137 1.00 44.01 H new ATOM 0 HD13 LEU A 70 -5.440 -1.586 1.361 1.00 44.01 H new ATOM 0 HD21 LEU A 70 -4.772 1.424 1.151 1.00 62.51 H new ATOM 0 HD22 LEU A 70 -4.528 0.270 -0.182 1.00 62.51 H new ATOM 0 HD23 LEU A 70 -5.521 1.725 -0.435 1.00 62.51 H new ATOM 1058 N ASP A 71 -7.639 -2.233 -3.162 1.00 33.21 N ATOM 1059 CA ASP A 71 -8.449 -3.151 -3.975 1.00 12.22 C ATOM 1060 C ASP A 71 -7.665 -4.448 -4.272 1.00 51.14 C ATOM 1061 O ASP A 71 -8.114 -5.560 -3.955 1.00 70.02 O ATOM 1062 CB ASP A 71 -8.847 -2.450 -5.282 1.00 70.11 C ATOM 1063 CG ASP A 71 -10.004 -3.132 -5.995 1.00 3.32 C ATOM 1064 OD1 ASP A 71 -9.806 -4.214 -6.579 1.00 33.30 O ATOM 1065 OD2 ASP A 71 -11.122 -2.577 -5.983 1.00 72.22 O ATOM 0 H ASP A 71 -7.427 -1.346 -3.618 1.00 33.21 H new ATOM 0 HA ASP A 71 -9.349 -3.423 -3.423 1.00 12.22 H new ATOM 0 HB2 ASP A 71 -9.120 -1.417 -5.065 1.00 70.11 H new ATOM 0 HB3 ASP A 71 -7.985 -2.419 -5.948 1.00 70.11 H new ATOM 1070 N TYR A 72 -6.481 -4.288 -4.866 1.00 22.32 N ATOM 1071 CA TYR A 72 -5.580 -5.414 -5.148 1.00 65.33 C ATOM 1072 C TYR A 72 -5.224 -6.196 -3.873 1.00 11.02 C ATOM 1073 O TYR A 72 -5.304 -7.421 -3.845 1.00 14.42 O ATOM 1074 CB TYR A 72 -4.291 -4.908 -5.821 1.00 4.51 C ATOM 1075 CG TYR A 72 -4.433 -4.626 -7.311 1.00 13.35 C ATOM 1076 CD1 TYR A 72 -5.340 -3.682 -7.786 1.00 52.53 C ATOM 1077 CD2 TYR A 72 -3.652 -5.306 -8.243 1.00 75.44 C ATOM 1078 CE1 TYR A 72 -5.467 -3.432 -9.141 1.00 11.23 C ATOM 1079 CE2 TYR A 72 -3.774 -5.058 -9.596 1.00 73.42 C ATOM 1080 CZ TYR A 72 -4.682 -4.123 -10.040 1.00 21.44 C ATOM 1081 OH TYR A 72 -4.808 -3.885 -11.390 1.00 5.45 O ATOM 0 H TYR A 72 -6.119 -3.382 -5.164 1.00 22.32 H new ATOM 0 HA TYR A 72 -6.106 -6.090 -5.822 1.00 65.33 H new ATOM 0 HB2 TYR A 72 -3.967 -3.996 -5.320 1.00 4.51 H new ATOM 0 HB3 TYR A 72 -3.504 -5.648 -5.676 1.00 4.51 H new ATOM 0 HD1 TYR A 72 -5.954 -3.136 -7.085 1.00 52.53 H new ATOM 0 HD2 TYR A 72 -2.938 -6.041 -7.901 1.00 75.44 H new ATOM 0 HE1 TYR A 72 -6.178 -2.699 -9.493 1.00 11.23 H new ATOM 0 HE2 TYR A 72 -3.160 -5.595 -10.303 1.00 73.42 H new ATOM 0 HH TYR A 72 -4.181 -4.455 -11.883 1.00 5.45 H new ATOM 1091 N CYS A 73 -4.842 -5.474 -2.822 1.00 52.03 N ATOM 1092 CA CYS A 73 -4.420 -6.095 -1.557 1.00 70.01 C ATOM 1093 C CYS A 73 -5.562 -6.861 -0.878 1.00 50.35 C ATOM 1094 O CYS A 73 -5.388 -8.010 -0.473 1.00 70.12 O ATOM 1095 CB CYS A 73 -3.870 -5.035 -0.595 1.00 21.22 C ATOM 1096 SG CYS A 73 -2.327 -4.268 -1.143 1.00 15.23 S ATOM 0 H CYS A 73 -4.814 -4.454 -2.816 1.00 52.03 H new ATOM 0 HA CYS A 73 -3.635 -6.811 -1.802 1.00 70.01 H new ATOM 0 HB2 CYS A 73 -4.622 -4.257 -0.460 1.00 21.22 H new ATOM 0 HB3 CYS A 73 -3.708 -5.494 0.380 1.00 21.22 H new ATOM 0 HG CYS A 73 -2.583 -3.389 -2.066 1.00 15.23 H new ATOM 1102 N SER A 74 -6.728 -6.223 -0.760 1.00 22.12 N ATOM 1103 CA SER A 74 -7.889 -6.833 -0.081 1.00 53.11 C ATOM 1104 C SER A 74 -8.263 -8.184 -0.700 1.00 35.14 C ATOM 1105 O SER A 74 -8.655 -9.118 0.006 1.00 53.02 O ATOM 1106 CB SER A 74 -9.105 -5.896 -0.132 1.00 4.41 C ATOM 1107 OG SER A 74 -10.213 -6.450 0.565 1.00 44.21 O ATOM 0 H SER A 74 -6.900 -5.285 -1.123 1.00 22.12 H new ATOM 0 HA SER A 74 -7.600 -6.997 0.957 1.00 53.11 H new ATOM 0 HB2 SER A 74 -8.843 -4.932 0.305 1.00 4.41 H new ATOM 0 HB3 SER A 74 -9.381 -5.711 -1.170 1.00 4.41 H new ATOM 0 HG SER A 74 -10.972 -5.832 0.517 1.00 44.21 H new ATOM 1113 N GLY A 75 -8.142 -8.282 -2.023 1.00 31.33 N ATOM 1114 CA GLY A 75 -8.426 -9.538 -2.708 1.00 31.20 C ATOM 1115 C GLY A 75 -7.240 -10.506 -2.727 1.00 62.00 C ATOM 1116 O GLY A 75 -7.369 -11.666 -2.333 1.00 63.32 O ATOM 0 H GLY A 75 -7.853 -7.517 -2.633 1.00 31.33 H new ATOM 0 HA2 GLY A 75 -9.273 -10.023 -2.223 1.00 31.20 H new ATOM 0 HA3 GLY A 75 -8.726 -9.323 -3.734 1.00 31.20 H new ATOM 1120 N TYR A 76 -6.077 -10.020 -3.164 1.00 4.33 N ATOM 1121 CA TYR A 76 -4.894 -10.872 -3.366 1.00 14.50 C ATOM 1122 C TYR A 76 -4.372 -11.474 -2.049 1.00 13.30 C ATOM 1123 O TYR A 76 -3.748 -12.538 -2.054 1.00 5.43 O ATOM 1124 CB TYR A 76 -3.777 -10.068 -4.050 1.00 32.41 C ATOM 1125 CG TYR A 76 -2.654 -10.917 -4.620 1.00 71.43 C ATOM 1126 CD1 TYR A 76 -2.866 -11.701 -5.750 1.00 62.04 C ATOM 1127 CD2 TYR A 76 -1.389 -10.939 -4.037 1.00 73.14 C ATOM 1128 CE1 TYR A 76 -1.855 -12.472 -6.286 1.00 74.54 C ATOM 1129 CE2 TYR A 76 -0.370 -11.708 -4.571 1.00 74.00 C ATOM 1130 CZ TYR A 76 -0.611 -12.477 -5.693 1.00 63.24 C ATOM 1131 OH TYR A 76 0.398 -13.244 -6.235 1.00 15.43 O ATOM 0 H TYR A 76 -5.924 -9.036 -3.387 1.00 4.33 H new ATOM 0 HA TYR A 76 -5.200 -11.701 -4.005 1.00 14.50 H new ATOM 0 HB2 TYR A 76 -4.213 -9.475 -4.854 1.00 32.41 H new ATOM 0 HB3 TYR A 76 -3.356 -9.367 -3.329 1.00 32.41 H new ATOM 0 HD1 TYR A 76 -3.840 -11.706 -6.216 1.00 62.04 H new ATOM 0 HD2 TYR A 76 -1.201 -10.346 -3.154 1.00 73.14 H new ATOM 0 HE1 TYR A 76 -2.038 -13.069 -7.167 1.00 74.54 H new ATOM 0 HE2 TYR A 76 0.608 -11.707 -4.113 1.00 74.00 H new ATOM 0 HH TYR A 76 1.213 -13.137 -5.701 1.00 15.43 H new ATOM 1141 N VAL A 77 -4.626 -10.801 -0.925 1.00 62.24 N ATOM 1142 CA VAL A 77 -4.167 -11.288 0.386 1.00 1.33 C ATOM 1143 C VAL A 77 -4.648 -12.724 0.663 1.00 71.34 C ATOM 1144 O VAL A 77 -3.907 -13.544 1.202 1.00 3.11 O ATOM 1145 CB VAL A 77 -4.626 -10.355 1.541 1.00 2.24 C ATOM 1146 CG1 VAL A 77 -6.151 -10.316 1.658 1.00 10.31 C ATOM 1147 CG2 VAL A 77 -3.988 -10.777 2.866 1.00 53.14 C ATOM 0 H VAL A 77 -5.143 -9.923 -0.891 1.00 62.24 H new ATOM 0 HA VAL A 77 -3.078 -11.286 0.348 1.00 1.33 H new ATOM 0 HB VAL A 77 -4.289 -9.346 1.305 1.00 2.24 H new ATOM 0 HG11 VAL A 77 -6.436 -9.654 2.476 1.00 10.31 H new ATOM 0 HG12 VAL A 77 -6.578 -9.946 0.726 1.00 10.31 H new ATOM 0 HG13 VAL A 77 -6.527 -11.320 1.856 1.00 10.31 H new ATOM 0 HG21 VAL A 77 -4.323 -10.110 3.660 1.00 53.14 H new ATOM 0 HG22 VAL A 77 -4.283 -11.799 3.102 1.00 53.14 H new ATOM 0 HG23 VAL A 77 -2.903 -10.723 2.781 1.00 53.14 H new ATOM 1157 N ASP A 78 -5.880 -13.032 0.260 1.00 14.41 N ATOM 1158 CA ASP A 78 -6.462 -14.355 0.496 1.00 4.13 C ATOM 1159 C ASP A 78 -5.882 -15.402 -0.476 1.00 5.33 C ATOM 1160 O ASP A 78 -6.051 -16.610 -0.294 1.00 22.42 O ATOM 1161 CB ASP A 78 -7.989 -14.277 0.369 1.00 74.02 C ATOM 1162 CG ASP A 78 -8.675 -15.530 0.876 1.00 64.51 C ATOM 1163 OD1 ASP A 78 -8.836 -15.669 2.109 1.00 22.30 O ATOM 1164 OD2 ASP A 78 -9.056 -16.386 0.049 1.00 55.42 O ATOM 0 H ASP A 78 -6.495 -12.384 -0.232 1.00 14.41 H new ATOM 0 HA ASP A 78 -6.206 -14.673 1.507 1.00 4.13 H new ATOM 0 HB2 ASP A 78 -8.354 -13.415 0.927 1.00 74.02 H new ATOM 0 HB3 ASP A 78 -8.256 -14.117 -0.675 1.00 74.02 H new ATOM 1169 N CYS A 79 -5.188 -14.925 -1.509 1.00 13.51 N ATOM 1170 CA CYS A 79 -4.523 -15.805 -2.481 1.00 44.45 C ATOM 1171 C CYS A 79 -3.109 -16.186 -2.017 1.00 62.54 C ATOM 1172 O CYS A 79 -2.487 -17.096 -2.572 1.00 2.23 O ATOM 1173 CB CYS A 79 -4.453 -15.124 -3.854 1.00 31.21 C ATOM 1174 SG CYS A 79 -3.661 -16.126 -5.135 1.00 45.43 S ATOM 0 H CYS A 79 -5.069 -13.930 -1.698 1.00 13.51 H new ATOM 0 HA CYS A 79 -5.113 -16.718 -2.559 1.00 44.45 H new ATOM 0 HB2 CYS A 79 -5.464 -14.875 -4.176 1.00 31.21 H new ATOM 0 HB3 CYS A 79 -3.909 -14.185 -3.755 1.00 31.21 H new ATOM 0 HG CYS A 79 -2.813 -16.943 -4.584 1.00 45.43 H new ATOM 1180 N ILE A 80 -2.607 -15.490 -0.996 1.00 53.14 N ATOM 1181 CA ILE A 80 -1.268 -15.754 -0.453 1.00 70.33 C ATOM 1182 C ILE A 80 -1.245 -17.050 0.383 1.00 52.12 C ATOM 1183 O ILE A 80 -1.895 -17.134 1.431 1.00 44.34 O ATOM 1184 CB ILE A 80 -0.775 -14.573 0.423 1.00 5.10 C ATOM 1185 CG1 ILE A 80 -0.760 -13.267 -0.395 1.00 43.04 C ATOM 1186 CG2 ILE A 80 0.613 -14.867 0.999 1.00 71.51 C ATOM 1187 CD1 ILE A 80 -0.349 -12.045 0.402 1.00 4.40 C ATOM 0 H ILE A 80 -3.107 -14.736 -0.525 1.00 53.14 H new ATOM 0 HA ILE A 80 -0.599 -15.871 -1.305 1.00 70.33 H new ATOM 0 HB ILE A 80 -1.467 -14.450 1.256 1.00 5.10 H new ATOM 0 HG12 ILE A 80 -0.078 -13.385 -1.237 1.00 43.04 H new ATOM 0 HG13 ILE A 80 -1.753 -13.100 -0.811 1.00 43.04 H new ATOM 0 HG21 ILE A 80 0.939 -14.025 1.610 1.00 71.51 H new ATOM 0 HG22 ILE A 80 0.569 -15.766 1.614 1.00 71.51 H new ATOM 0 HG23 ILE A 80 1.320 -15.019 0.184 1.00 71.51 H new ATOM 0 HD11 ILE A 80 -0.363 -11.167 -0.244 1.00 4.40 H new ATOM 0 HD12 ILE A 80 -1.045 -11.899 1.228 1.00 4.40 H new ATOM 0 HD13 ILE A 80 0.657 -12.189 0.796 1.00 4.40 H new ATOM 1199 N PRO A 81 -0.486 -18.073 -0.064 1.00 71.40 N ATOM 1200 CA PRO A 81 -0.412 -19.371 0.633 1.00 12.30 C ATOM 1201 C PRO A 81 0.318 -19.285 1.984 1.00 54.02 C ATOM 1202 O PRO A 81 -0.151 -19.814 2.993 1.00 11.02 O ATOM 1203 CB PRO A 81 0.366 -20.252 -0.355 1.00 52.42 C ATOM 1204 CG PRO A 81 1.187 -19.292 -1.151 1.00 62.14 C ATOM 1205 CD PRO A 81 0.347 -18.051 -1.284 1.00 1.13 C ATOM 0 HA PRO A 81 -1.400 -19.755 0.885 1.00 12.30 H new ATOM 0 HB2 PRO A 81 0.995 -20.973 0.167 1.00 52.42 H new ATOM 0 HB3 PRO A 81 -0.309 -20.822 -0.994 1.00 52.42 H new ATOM 0 HG2 PRO A 81 2.130 -19.074 -0.650 1.00 62.14 H new ATOM 0 HG3 PRO A 81 1.433 -19.705 -2.129 1.00 62.14 H new ATOM 0 HD2 PRO A 81 0.962 -17.152 -1.335 1.00 1.13 H new ATOM 0 HD3 PRO A 81 -0.262 -18.072 -2.188 1.00 1.13 H new ATOM 1213 N GLN A 82 1.468 -18.619 1.998 1.00 43.05 N ATOM 1214 CA GLN A 82 2.240 -18.431 3.230 1.00 13.42 C ATOM 1215 C GLN A 82 1.508 -17.484 4.191 1.00 70.02 C ATOM 1216 O GLN A 82 1.475 -16.274 3.966 1.00 23.14 O ATOM 1217 CB GLN A 82 3.629 -17.858 2.907 1.00 72.11 C ATOM 1218 CG GLN A 82 4.475 -18.736 1.992 1.00 13.52 C ATOM 1219 CD GLN A 82 5.791 -18.080 1.610 1.00 15.53 C ATOM 1220 OE1 GLN A 82 6.801 -18.236 2.284 1.00 13.12 O ATOM 1221 NE2 GLN A 82 5.792 -17.344 0.521 1.00 73.51 N ATOM 0 H GLN A 82 1.890 -18.198 1.170 1.00 43.05 H new ATOM 0 HA GLN A 82 2.353 -19.404 3.709 1.00 13.42 H new ATOM 0 HB2 GLN A 82 3.506 -16.881 2.440 1.00 72.11 H new ATOM 0 HB3 GLN A 82 4.169 -17.700 3.840 1.00 72.11 H new ATOM 0 HG2 GLN A 82 4.677 -19.685 2.489 1.00 13.52 H new ATOM 0 HG3 GLN A 82 3.910 -18.963 1.088 1.00 13.52 H new ATOM 0 HE21 GLN A 82 4.935 -17.233 -0.020 1.00 73.51 H new ATOM 0 HE22 GLN A 82 6.650 -16.884 0.217 1.00 73.51 H new ATOM 1230 N THR A 83 0.925 -18.030 5.256 1.00 4.40 N ATOM 1231 CA THR A 83 0.179 -17.218 6.227 1.00 74.24 C ATOM 1232 C THR A 83 1.092 -16.200 6.921 1.00 45.10 C ATOM 1233 O THR A 83 0.660 -15.096 7.257 1.00 73.32 O ATOM 1234 CB THR A 83 -0.521 -18.092 7.293 1.00 11.03 C ATOM 1235 OG1 THR A 83 -1.329 -19.086 6.646 1.00 11.40 O ATOM 1236 CG2 THR A 83 -1.402 -17.245 8.210 1.00 1.40 C ATOM 0 H THR A 83 0.952 -19.027 5.472 1.00 4.40 H new ATOM 0 HA THR A 83 -0.585 -16.684 5.662 1.00 74.24 H new ATOM 0 HB THR A 83 0.249 -18.571 7.898 1.00 11.03 H new ATOM 0 HG1 THR A 83 -1.771 -19.640 7.323 1.00 11.40 H new ATOM 0 HG21 THR A 83 -1.881 -17.887 8.949 1.00 1.40 H new ATOM 0 HG22 THR A 83 -0.789 -16.501 8.719 1.00 1.40 H new ATOM 0 HG23 THR A 83 -2.166 -16.741 7.617 1.00 1.40 H new ATOM 1244 N ARG A 84 2.356 -16.573 7.122 1.00 1.13 N ATOM 1245 CA ARG A 84 3.371 -15.646 7.644 1.00 33.33 C ATOM 1246 C ARG A 84 3.442 -14.373 6.784 1.00 43.42 C ATOM 1247 O ARG A 84 3.355 -13.253 7.298 1.00 43.20 O ATOM 1248 CB ARG A 84 4.744 -16.340 7.693 1.00 63.45 C ATOM 1249 CG ARG A 84 4.821 -17.483 8.708 1.00 13.11 C ATOM 1250 CD ARG A 84 5.267 -17.015 10.096 1.00 12.02 C ATOM 1251 NE ARG A 84 4.477 -15.890 10.605 1.00 20.32 N ATOM 1252 CZ ARG A 84 3.893 -15.860 11.773 1.00 54.11 C ATOM 1253 NH1 ARG A 84 3.894 -16.904 12.544 1.00 75.13 N ATOM 1254 NH2 ARG A 84 3.287 -14.782 12.154 1.00 24.21 N ATOM 0 H ARG A 84 2.706 -17.512 6.932 1.00 1.13 H new ATOM 0 HA ARG A 84 3.087 -15.355 8.655 1.00 33.33 H new ATOM 0 HB2 ARG A 84 4.980 -16.729 6.703 1.00 63.45 H new ATOM 0 HB3 ARG A 84 5.507 -15.600 7.934 1.00 63.45 H new ATOM 0 HG2 ARG A 84 3.844 -17.959 8.787 1.00 13.11 H new ATOM 0 HG3 ARG A 84 5.516 -18.240 8.344 1.00 13.11 H new ATOM 0 HD2 ARG A 84 5.194 -17.848 10.795 1.00 12.02 H new ATOM 0 HD3 ARG A 84 6.317 -16.725 10.055 1.00 12.02 H new ATOM 0 HE ARG A 84 4.376 -15.072 10.004 1.00 20.32 H new ATOM 0 HH11 ARG A 84 4.355 -17.762 12.240 1.00 75.13 H new ATOM 0 HH12 ARG A 84 3.434 -16.867 13.454 1.00 75.13 H new ATOM 0 HH21 ARG A 84 3.268 -13.965 11.544 1.00 24.21 H new ATOM 0 HH22 ARG A 84 2.828 -14.749 13.064 1.00 24.21 H new ATOM 1268 N ASN A 85 3.585 -14.556 5.470 1.00 64.44 N ATOM 1269 CA ASN A 85 3.568 -13.435 4.525 1.00 21.31 C ATOM 1270 C ASN A 85 2.199 -12.740 4.532 1.00 52.31 C ATOM 1271 O ASN A 85 2.109 -11.518 4.570 1.00 2.54 O ATOM 1272 CB ASN A 85 3.880 -13.913 3.098 1.00 62.02 C ATOM 1273 CG ASN A 85 5.205 -14.648 2.984 1.00 43.03 C ATOM 1274 OD1 ASN A 85 5.628 -15.346 3.897 1.00 73.03 O ATOM 1275 ND2 ASN A 85 5.868 -14.500 1.853 1.00 5.30 N ATOM 0 H ASN A 85 3.714 -15.469 5.035 1.00 64.44 H new ATOM 0 HA ASN A 85 4.336 -12.729 4.842 1.00 21.31 H new ATOM 0 HB2 ASN A 85 3.079 -14.569 2.759 1.00 62.02 H new ATOM 0 HB3 ASN A 85 3.891 -13.053 2.429 1.00 62.02 H new ATOM 0 HD21 ASN A 85 6.761 -14.974 1.719 1.00 5.30 H new ATOM 0 HD22 ASN A 85 5.488 -13.911 1.112 1.00 5.30 H new ATOM 1282 N LYS A 86 1.139 -13.544 4.500 1.00 2.32 N ATOM 1283 CA LYS A 86 -0.242 -13.043 4.471 1.00 5.43 C ATOM 1284 C LYS A 86 -0.550 -12.136 5.677 1.00 60.14 C ATOM 1285 O LYS A 86 -1.278 -11.147 5.557 1.00 51.30 O ATOM 1286 CB LYS A 86 -1.205 -14.241 4.421 1.00 33.04 C ATOM 1287 CG LYS A 86 -2.689 -13.879 4.385 1.00 72.32 C ATOM 1288 CD LYS A 86 -3.545 -15.041 3.870 1.00 63.52 C ATOM 1289 CE LYS A 86 -3.341 -16.322 4.675 1.00 61.14 C ATOM 1290 NZ LYS A 86 -4.080 -17.471 4.085 1.00 35.22 N ATOM 0 H LYS A 86 1.208 -14.562 4.493 1.00 2.32 H new ATOM 0 HA LYS A 86 -0.373 -12.429 3.580 1.00 5.43 H new ATOM 0 HB2 LYS A 86 -0.971 -14.839 3.540 1.00 33.04 H new ATOM 0 HB3 LYS A 86 -1.022 -14.871 5.291 1.00 33.04 H new ATOM 0 HG2 LYS A 86 -3.019 -13.599 5.385 1.00 72.32 H new ATOM 0 HG3 LYS A 86 -2.836 -13.008 3.746 1.00 72.32 H new ATOM 0 HD2 LYS A 86 -4.597 -14.757 3.907 1.00 63.52 H new ATOM 0 HD3 LYS A 86 -3.302 -15.231 2.824 1.00 63.52 H new ATOM 0 HE2 LYS A 86 -2.278 -16.558 4.719 1.00 61.14 H new ATOM 0 HE3 LYS A 86 -3.675 -16.164 5.700 1.00 61.14 H new ATOM 0 HZ1 LYS A 86 -3.916 -18.322 4.660 1.00 35.22 H new ATOM 0 HZ2 LYS A 86 -5.097 -17.257 4.066 1.00 35.22 H new ATOM 0 HZ3 LYS A 86 -3.744 -17.639 3.115 1.00 35.22 H new ATOM 1304 N PHE A 87 0.023 -12.467 6.830 1.00 74.14 N ATOM 1305 CA PHE A 87 -0.150 -11.661 8.042 1.00 24.51 C ATOM 1306 C PHE A 87 0.610 -10.329 7.928 1.00 21.13 C ATOM 1307 O PHE A 87 0.040 -9.257 8.146 1.00 0.33 O ATOM 1308 CB PHE A 87 0.334 -12.440 9.273 1.00 64.11 C ATOM 1309 CG PHE A 87 0.026 -11.753 10.581 1.00 2.44 C ATOM 1310 CD1 PHE A 87 -1.217 -11.904 11.176 1.00 51.34 C ATOM 1311 CD2 PHE A 87 0.976 -10.958 11.213 1.00 61.13 C ATOM 1312 CE1 PHE A 87 -1.510 -11.275 12.370 1.00 21.45 C ATOM 1313 CE2 PHE A 87 0.686 -10.327 12.406 1.00 70.51 C ATOM 1314 CZ PHE A 87 -0.557 -10.488 12.988 1.00 65.12 C ATOM 0 H PHE A 87 0.613 -13.289 6.954 1.00 74.14 H new ATOM 0 HA PHE A 87 -1.212 -11.442 8.155 1.00 24.51 H new ATOM 0 HB2 PHE A 87 -0.128 -13.427 9.273 1.00 64.11 H new ATOM 0 HB3 PHE A 87 1.411 -12.592 9.196 1.00 64.11 H new ATOM 0 HD1 PHE A 87 -1.965 -12.521 10.700 1.00 51.34 H new ATOM 0 HD2 PHE A 87 1.951 -10.833 10.766 1.00 61.13 H new ATOM 0 HE1 PHE A 87 -2.484 -11.398 12.821 1.00 21.45 H new ATOM 0 HE2 PHE A 87 1.430 -9.708 12.884 1.00 70.51 H new ATOM 0 HZ PHE A 87 -0.783 -10.000 13.924 1.00 65.12 H new ATOM 1324 N ALA A 88 1.898 -10.409 7.576 1.00 53.13 N ATOM 1325 CA ALA A 88 2.733 -9.213 7.377 1.00 34.22 C ATOM 1326 C ALA A 88 2.151 -8.304 6.281 1.00 72.34 C ATOM 1327 O ALA A 88 2.253 -7.077 6.340 1.00 44.12 O ATOM 1328 CB ALA A 88 4.161 -9.623 7.029 1.00 34.25 C ATOM 0 H ALA A 88 2.388 -11.290 7.422 1.00 53.13 H new ATOM 0 HA ALA A 88 2.744 -8.646 8.308 1.00 34.22 H new ATOM 0 HB1 ALA A 88 4.770 -8.731 6.884 1.00 34.25 H new ATOM 0 HB2 ALA A 88 4.577 -10.218 7.842 1.00 34.25 H new ATOM 0 HB3 ALA A 88 4.157 -10.213 6.112 1.00 34.25 H new ATOM 1334 N PHE A 89 1.535 -8.928 5.286 1.00 54.42 N ATOM 1335 CA PHE A 89 0.854 -8.213 4.210 1.00 41.01 C ATOM 1336 C PHE A 89 -0.349 -7.431 4.762 1.00 44.24 C ATOM 1337 O PHE A 89 -0.486 -6.230 4.531 1.00 41.14 O ATOM 1338 CB PHE A 89 0.397 -9.221 3.144 1.00 12.41 C ATOM 1339 CG PHE A 89 -0.145 -8.600 1.880 1.00 45.32 C ATOM 1340 CD1 PHE A 89 0.709 -8.253 0.841 1.00 33.21 C ATOM 1341 CD2 PHE A 89 -1.504 -8.378 1.724 1.00 24.32 C ATOM 1342 CE1 PHE A 89 0.215 -7.696 -0.323 1.00 5.13 C ATOM 1343 CE2 PHE A 89 -2.001 -7.823 0.562 1.00 22.41 C ATOM 1344 CZ PHE A 89 -1.141 -7.483 -0.462 1.00 2.12 C ATOM 0 H PHE A 89 1.492 -9.943 5.200 1.00 54.42 H new ATOM 0 HA PHE A 89 1.542 -7.498 3.759 1.00 41.01 H new ATOM 0 HB2 PHE A 89 1.239 -9.862 2.885 1.00 12.41 H new ATOM 0 HB3 PHE A 89 -0.371 -9.863 3.576 1.00 12.41 H new ATOM 0 HD1 PHE A 89 1.771 -8.420 0.944 1.00 33.21 H new ATOM 0 HD2 PHE A 89 -2.183 -8.643 2.521 1.00 24.32 H new ATOM 0 HE1 PHE A 89 0.889 -7.428 -1.123 1.00 5.13 H new ATOM 0 HE2 PHE A 89 -3.062 -7.655 0.454 1.00 22.41 H new ATOM 0 HZ PHE A 89 -1.529 -7.050 -1.372 1.00 2.12 H new ATOM 1354 N ARG A 90 -1.205 -8.122 5.515 1.00 4.32 N ATOM 1355 CA ARG A 90 -2.403 -7.513 6.108 1.00 11.21 C ATOM 1356 C ARG A 90 -2.058 -6.355 7.061 1.00 53.54 C ATOM 1357 O ARG A 90 -2.676 -5.291 6.994 1.00 31.24 O ATOM 1358 CB ARG A 90 -3.228 -8.582 6.846 1.00 1.41 C ATOM 1359 CG ARG A 90 -4.545 -8.952 6.159 1.00 74.41 C ATOM 1360 CD ARG A 90 -5.662 -7.943 6.452 1.00 41.44 C ATOM 1361 NE ARG A 90 -5.555 -6.692 5.686 1.00 33.44 N ATOM 1362 CZ ARG A 90 -5.821 -5.504 6.185 1.00 70.25 C ATOM 1363 NH1 ARG A 90 -5.993 -5.351 7.459 1.00 51.44 N ATOM 1364 NH2 ARG A 90 -5.890 -4.469 5.407 1.00 2.41 N ATOM 0 H ARG A 90 -1.092 -9.112 5.732 1.00 4.32 H new ATOM 0 HA ARG A 90 -2.994 -7.095 5.293 1.00 11.21 H new ATOM 0 HB2 ARG A 90 -2.622 -9.482 6.951 1.00 1.41 H new ATOM 0 HB3 ARG A 90 -3.446 -8.225 7.852 1.00 1.41 H new ATOM 0 HG2 ARG A 90 -4.386 -9.011 5.082 1.00 74.41 H new ATOM 0 HG3 ARG A 90 -4.858 -9.942 6.489 1.00 74.41 H new ATOM 0 HD2 ARG A 90 -6.624 -8.408 6.236 1.00 41.44 H new ATOM 0 HD3 ARG A 90 -5.654 -7.707 7.516 1.00 41.44 H new ATOM 0 HE ARG A 90 -5.257 -6.749 4.712 1.00 33.44 H new ATOM 0 HH11 ARG A 90 -5.923 -6.155 8.083 1.00 51.44 H new ATOM 0 HH12 ARG A 90 -6.199 -4.427 7.838 1.00 51.44 H new ATOM 0 HH21 ARG A 90 -5.738 -4.574 4.404 1.00 2.41 H new ATOM 0 HH22 ARG A 90 -6.096 -3.550 5.798 1.00 2.41 H new ATOM 1378 N GLU A 91 -1.076 -6.556 7.950 1.00 11.13 N ATOM 1379 CA GLU A 91 -0.679 -5.498 8.891 1.00 45.32 C ATOM 1380 C GLU A 91 -0.181 -4.256 8.134 1.00 2.10 C ATOM 1381 O GLU A 91 -0.606 -3.137 8.416 1.00 11.44 O ATOM 1382 CB GLU A 91 0.399 -5.986 9.886 1.00 24.03 C ATOM 1383 CG GLU A 91 1.741 -6.339 9.251 1.00 24.41 C ATOM 1384 CD GLU A 91 2.818 -6.675 10.273 1.00 50.53 C ATOM 1385 OE1 GLU A 91 2.784 -7.787 10.841 1.00 3.23 O ATOM 1386 OE2 GLU A 91 3.700 -5.825 10.524 1.00 15.12 O ATOM 0 H GLU A 91 -0.549 -7.425 8.038 1.00 11.13 H new ATOM 0 HA GLU A 91 -1.565 -5.230 9.467 1.00 45.32 H new ATOM 0 HB2 GLU A 91 0.560 -5.211 10.635 1.00 24.03 H new ATOM 0 HB3 GLU A 91 0.019 -6.863 10.411 1.00 24.03 H new ATOM 0 HG2 GLU A 91 1.607 -7.189 8.582 1.00 24.41 H new ATOM 0 HG3 GLU A 91 2.078 -5.502 8.640 1.00 24.41 H new ATOM 1393 N ALA A 92 0.693 -4.464 7.149 1.00 32.13 N ATOM 1394 CA ALA A 92 1.222 -3.363 6.340 1.00 62.35 C ATOM 1395 C ALA A 92 0.098 -2.624 5.595 1.00 50.23 C ATOM 1396 O ALA A 92 0.048 -1.392 5.585 1.00 31.21 O ATOM 1397 CB ALA A 92 2.261 -3.889 5.357 1.00 62.14 C ATOM 0 H ALA A 92 1.050 -5.384 6.891 1.00 32.13 H new ATOM 0 HA ALA A 92 1.698 -2.648 7.010 1.00 62.35 H new ATOM 0 HB1 ALA A 92 2.648 -3.063 4.760 1.00 62.14 H new ATOM 0 HB2 ALA A 92 3.079 -4.354 5.907 1.00 62.14 H new ATOM 0 HB3 ALA A 92 1.800 -4.626 4.700 1.00 62.14 H new ATOM 1403 N VAL A 93 -0.804 -3.385 4.976 1.00 31.53 N ATOM 1404 CA VAL A 93 -1.973 -2.809 4.303 1.00 3.51 C ATOM 1405 C VAL A 93 -2.861 -2.038 5.295 1.00 53.20 C ATOM 1406 O VAL A 93 -3.420 -0.992 4.961 1.00 14.03 O ATOM 1407 CB VAL A 93 -2.808 -3.905 3.584 1.00 11.33 C ATOM 1408 CG1 VAL A 93 -4.091 -3.327 2.988 1.00 12.50 C ATOM 1409 CG2 VAL A 93 -1.977 -4.583 2.498 1.00 23.20 C ATOM 0 H VAL A 93 -0.750 -4.402 4.925 1.00 31.53 H new ATOM 0 HA VAL A 93 -1.602 -2.111 3.553 1.00 3.51 H new ATOM 0 HB VAL A 93 -3.090 -4.650 4.328 1.00 11.33 H new ATOM 0 HG11 VAL A 93 -4.651 -4.120 2.493 1.00 12.50 H new ATOM 0 HG12 VAL A 93 -4.699 -2.895 3.783 1.00 12.50 H new ATOM 0 HG13 VAL A 93 -3.839 -2.553 2.263 1.00 12.50 H new ATOM 0 HG21 VAL A 93 -2.577 -5.348 2.005 1.00 23.20 H new ATOM 0 HG22 VAL A 93 -1.661 -3.841 1.765 1.00 23.20 H new ATOM 0 HG23 VAL A 93 -1.098 -5.045 2.948 1.00 23.20 H new ATOM 1419 N SER A 94 -2.966 -2.553 6.523 1.00 44.02 N ATOM 1420 CA SER A 94 -3.713 -1.872 7.592 1.00 45.00 C ATOM 1421 C SER A 94 -3.127 -0.482 7.873 1.00 74.22 C ATOM 1422 O SER A 94 -3.858 0.496 8.009 1.00 34.12 O ATOM 1423 CB SER A 94 -3.706 -2.709 8.882 1.00 42.22 C ATOM 1424 OG SER A 94 -4.367 -2.035 9.946 1.00 73.13 O ATOM 0 H SER A 94 -2.545 -3.438 6.805 1.00 44.02 H new ATOM 0 HA SER A 94 -4.742 -1.755 7.252 1.00 45.00 H new ATOM 0 HB2 SER A 94 -4.194 -3.666 8.698 1.00 42.22 H new ATOM 0 HB3 SER A 94 -2.677 -2.925 9.171 1.00 42.22 H new ATOM 0 HG SER A 94 -4.346 -2.594 10.750 1.00 73.13 H new ATOM 1430 N LYS A 95 -1.798 -0.398 7.946 1.00 32.14 N ATOM 1431 CA LYS A 95 -1.118 0.895 8.107 1.00 74.24 C ATOM 1432 C LYS A 95 -1.339 1.796 6.880 1.00 1.43 C ATOM 1433 O LYS A 95 -1.522 3.005 7.016 1.00 41.31 O ATOM 1434 CB LYS A 95 0.394 0.707 8.345 1.00 64.40 C ATOM 1435 CG LYS A 95 0.776 0.339 9.780 1.00 3.54 C ATOM 1436 CD LYS A 95 0.193 -1.001 10.212 1.00 42.24 C ATOM 1437 CE LYS A 95 0.702 -1.426 11.582 1.00 2.43 C ATOM 1438 NZ LYS A 95 2.186 -1.519 11.619 1.00 31.03 N ATOM 0 H LYS A 95 -1.172 -1.202 7.897 1.00 32.14 H new ATOM 0 HA LYS A 95 -1.553 1.378 8.982 1.00 74.24 H new ATOM 0 HB2 LYS A 95 0.759 -0.072 7.676 1.00 64.40 H new ATOM 0 HB3 LYS A 95 0.908 1.629 8.072 1.00 64.40 H new ATOM 0 HG2 LYS A 95 1.862 0.304 9.866 1.00 3.54 H new ATOM 0 HG3 LYS A 95 0.427 1.119 10.457 1.00 3.54 H new ATOM 0 HD2 LYS A 95 -0.895 -0.934 10.234 1.00 42.24 H new ATOM 0 HD3 LYS A 95 0.451 -1.763 9.477 1.00 42.24 H new ATOM 0 HE2 LYS A 95 0.364 -0.711 12.332 1.00 2.43 H new ATOM 0 HE3 LYS A 95 0.271 -2.392 11.846 1.00 2.43 H new ATOM 0 HZ1 LYS A 95 2.477 -2.103 12.429 1.00 31.03 H new ATOM 0 HZ2 LYS A 95 2.529 -1.953 10.738 1.00 31.03 H new ATOM 0 HZ3 LYS A 95 2.591 -0.566 11.715 1.00 31.03 H new ATOM 1452 N LEU A 96 -1.328 1.201 5.687 1.00 53.23 N ATOM 1453 CA LEU A 96 -1.509 1.959 4.446 1.00 22.44 C ATOM 1454 C LEU A 96 -2.885 2.646 4.395 1.00 61.34 C ATOM 1455 O LEU A 96 -2.973 3.858 4.196 1.00 62.14 O ATOM 1456 CB LEU A 96 -1.342 1.033 3.229 1.00 44.24 C ATOM 1457 CG LEU A 96 -1.441 1.725 1.856 1.00 23.53 C ATOM 1458 CD1 LEU A 96 -0.308 2.732 1.670 1.00 24.53 C ATOM 1459 CD2 LEU A 96 -1.439 0.693 0.730 1.00 32.22 C ATOM 0 H LEU A 96 -1.196 0.199 5.552 1.00 53.23 H new ATOM 0 HA LEU A 96 -0.745 2.736 4.420 1.00 22.44 H new ATOM 0 HB2 LEU A 96 -0.373 0.539 3.299 1.00 44.24 H new ATOM 0 HB3 LEU A 96 -2.102 0.253 3.280 1.00 44.24 H new ATOM 0 HG LEU A 96 -2.385 2.269 1.818 1.00 23.53 H new ATOM 0 HD11 LEU A 96 -0.400 3.207 0.693 1.00 24.53 H new ATOM 0 HD12 LEU A 96 -0.365 3.492 2.450 1.00 24.53 H new ATOM 0 HD13 LEU A 96 0.651 2.217 1.734 1.00 24.53 H new ATOM 0 HD21 LEU A 96 -1.510 1.203 -0.231 1.00 32.22 H new ATOM 0 HD22 LEU A 96 -0.515 0.116 0.767 1.00 32.22 H new ATOM 0 HD23 LEU A 96 -2.291 0.023 0.849 1.00 32.22 H new ATOM 1471 N GLU A 97 -3.956 1.876 4.610 1.00 43.31 N ATOM 1472 CA GLU A 97 -5.321 2.423 4.567 1.00 1.41 C ATOM 1473 C GLU A 97 -5.531 3.504 5.641 1.00 52.41 C ATOM 1474 O GLU A 97 -6.058 4.584 5.358 1.00 43.34 O ATOM 1475 CB GLU A 97 -6.368 1.303 4.725 1.00 73.53 C ATOM 1476 CG GLU A 97 -6.197 0.454 5.981 1.00 42.54 C ATOM 1477 CD GLU A 97 -7.256 -0.631 6.111 1.00 74.02 C ATOM 1478 OE1 GLU A 97 -8.413 -0.300 6.450 1.00 30.34 O ATOM 1479 OE2 GLU A 97 -6.942 -1.820 5.872 1.00 22.41 O ATOM 0 H GLU A 97 -3.908 0.878 4.815 1.00 43.31 H new ATOM 0 HA GLU A 97 -5.453 2.889 3.590 1.00 1.41 H new ATOM 0 HB2 GLU A 97 -7.362 1.750 4.736 1.00 73.53 H new ATOM 0 HB3 GLU A 97 -6.321 0.652 3.852 1.00 73.53 H new ATOM 0 HG2 GLU A 97 -5.210 -0.008 5.969 1.00 42.54 H new ATOM 0 HG3 GLU A 97 -6.236 1.100 6.858 1.00 42.54 H new ATOM 1486 N LEU A 98 -5.096 3.218 6.866 1.00 34.04 N ATOM 1487 CA LEU A 98 -5.227 4.173 7.971 1.00 64.15 C ATOM 1488 C LEU A 98 -4.410 5.450 7.712 1.00 21.30 C ATOM 1489 O LEU A 98 -4.863 6.560 8.001 1.00 31.10 O ATOM 1490 CB LEU A 98 -4.799 3.521 9.290 1.00 24.33 C ATOM 1491 CG LEU A 98 -5.664 2.331 9.741 1.00 62.00 C ATOM 1492 CD1 LEU A 98 -5.141 1.748 11.054 1.00 54.00 C ATOM 1493 CD2 LEU A 98 -7.129 2.750 9.877 1.00 41.41 C ATOM 0 H LEU A 98 -4.651 2.336 7.121 1.00 34.04 H new ATOM 0 HA LEU A 98 -6.276 4.460 8.042 1.00 64.15 H new ATOM 0 HB2 LEU A 98 -3.767 3.184 9.192 1.00 24.33 H new ATOM 0 HB3 LEU A 98 -4.814 4.279 10.073 1.00 24.33 H new ATOM 0 HG LEU A 98 -5.602 1.555 8.978 1.00 62.00 H new ATOM 0 HD11 LEU A 98 -5.767 0.908 11.354 1.00 54.00 H new ATOM 0 HD12 LEU A 98 -4.115 1.405 10.917 1.00 54.00 H new ATOM 0 HD13 LEU A 98 -5.167 2.515 11.828 1.00 54.00 H new ATOM 0 HD21 LEU A 98 -7.724 1.894 10.197 1.00 41.41 H new ATOM 0 HD22 LEU A 98 -7.212 3.547 10.616 1.00 41.41 H new ATOM 0 HD23 LEU A 98 -7.496 3.108 8.915 1.00 41.41 H new ATOM 1505 N SER A 99 -3.212 5.291 7.153 1.00 64.03 N ATOM 1506 CA SER A 99 -2.358 6.441 6.823 1.00 14.30 C ATOM 1507 C SER A 99 -2.955 7.268 5.675 1.00 25.02 C ATOM 1508 O SER A 99 -2.857 8.493 5.665 1.00 32.40 O ATOM 1509 CB SER A 99 -0.936 5.987 6.468 1.00 71.42 C ATOM 1510 OG SER A 99 -0.312 5.333 7.567 1.00 12.43 O ATOM 0 H SER A 99 -2.808 4.384 6.918 1.00 64.03 H new ATOM 0 HA SER A 99 -2.308 7.075 7.709 1.00 14.30 H new ATOM 0 HB2 SER A 99 -0.970 5.312 5.613 1.00 71.42 H new ATOM 0 HB3 SER A 99 -0.340 6.850 6.170 1.00 71.42 H new ATOM 0 HG SER A 99 -0.475 4.368 7.509 1.00 12.43 H new ATOM 1516 N LEU A 100 -3.586 6.594 4.711 1.00 44.31 N ATOM 1517 CA LEU A 100 -4.265 7.279 3.601 1.00 73.33 C ATOM 1518 C LEU A 100 -5.449 8.131 4.094 1.00 42.42 C ATOM 1519 O LEU A 100 -5.641 9.266 3.646 1.00 3.25 O ATOM 1520 CB LEU A 100 -4.757 6.262 2.553 1.00 64.33 C ATOM 1521 CG LEU A 100 -3.659 5.605 1.699 1.00 21.45 C ATOM 1522 CD1 LEU A 100 -4.238 4.484 0.841 1.00 23.54 C ATOM 1523 CD2 LEU A 100 -2.970 6.644 0.816 1.00 55.42 C ATOM 0 H LEU A 100 -3.643 5.576 4.674 1.00 44.31 H new ATOM 0 HA LEU A 100 -3.535 7.946 3.141 1.00 73.33 H new ATOM 0 HB2 LEU A 100 -5.311 5.477 3.067 1.00 64.33 H new ATOM 0 HB3 LEU A 100 -5.459 6.764 1.887 1.00 64.33 H new ATOM 0 HG LEU A 100 -2.918 5.176 2.374 1.00 21.45 H new ATOM 0 HD11 LEU A 100 -3.443 4.034 0.246 1.00 23.54 H new ATOM 0 HD12 LEU A 100 -4.683 3.725 1.485 1.00 23.54 H new ATOM 0 HD13 LEU A 100 -5.002 4.891 0.178 1.00 23.54 H new ATOM 0 HD21 LEU A 100 -2.197 6.160 0.220 1.00 55.42 H new ATOM 0 HD22 LEU A 100 -3.704 7.103 0.154 1.00 55.42 H new ATOM 0 HD23 LEU A 100 -2.517 7.412 1.443 1.00 55.42 H new ATOM 1535 N GLN A 101 -6.245 7.580 5.013 1.00 54.42 N ATOM 1536 CA GLN A 101 -7.423 8.287 5.530 1.00 34.31 C ATOM 1537 C GLN A 101 -7.047 9.399 6.530 1.00 74.01 C ATOM 1538 O GLN A 101 -7.744 10.409 6.624 1.00 3.23 O ATOM 1539 CB GLN A 101 -8.421 7.306 6.166 1.00 63.52 C ATOM 1540 CG GLN A 101 -7.881 6.546 7.369 1.00 61.50 C ATOM 1541 CD GLN A 101 -8.905 5.596 7.966 1.00 41.41 C ATOM 1542 OE1 GLN A 101 -8.987 4.433 7.586 1.00 55.24 O ATOM 1543 NE2 GLN A 101 -9.700 6.086 8.895 1.00 14.41 N ATOM 0 H GLN A 101 -6.099 6.653 5.413 1.00 54.42 H new ATOM 0 HA GLN A 101 -7.901 8.767 4.676 1.00 34.31 H new ATOM 0 HB2 GLN A 101 -9.310 7.858 6.471 1.00 63.52 H new ATOM 0 HB3 GLN A 101 -8.736 6.587 5.410 1.00 63.52 H new ATOM 0 HG2 GLN A 101 -6.997 5.982 7.071 1.00 61.50 H new ATOM 0 HG3 GLN A 101 -7.563 7.258 8.131 1.00 61.50 H new ATOM 0 HE21 GLN A 101 -9.604 7.058 9.187 1.00 14.41 H new ATOM 0 HE22 GLN A 101 -10.412 5.493 9.322 1.00 14.41 H new ATOM 1552 N GLU A 102 -5.955 9.223 7.283 1.00 12.02 N ATOM 1553 CA GLU A 102 -5.475 10.294 8.174 1.00 14.40 C ATOM 1554 C GLU A 102 -4.793 11.405 7.362 1.00 63.41 C ATOM 1555 O GLU A 102 -4.866 12.582 7.714 1.00 72.15 O ATOM 1556 CB GLU A 102 -4.508 9.760 9.248 1.00 1.24 C ATOM 1557 CG GLU A 102 -3.148 9.323 8.714 1.00 1.43 C ATOM 1558 CD GLU A 102 -2.201 8.861 9.812 1.00 63.01 C ATOM 1559 OE1 GLU A 102 -2.244 7.671 10.183 1.00 64.21 O ATOM 1560 OE2 GLU A 102 -1.420 9.692 10.324 1.00 4.25 O ATOM 0 H GLU A 102 -5.395 8.370 7.297 1.00 12.02 H new ATOM 0 HA GLU A 102 -6.347 10.703 8.684 1.00 14.40 H new ATOM 0 HB2 GLU A 102 -4.357 10.534 10.000 1.00 1.24 H new ATOM 0 HB3 GLU A 102 -4.976 8.914 9.751 1.00 1.24 H new ATOM 0 HG2 GLU A 102 -3.288 8.514 7.997 1.00 1.43 H new ATOM 0 HG3 GLU A 102 -2.692 10.152 8.173 1.00 1.43 H new ATOM 1567 N LEU A 103 -4.134 11.021 6.269 1.00 3.34 N ATOM 1568 CA LEU A 103 -3.482 11.982 5.374 1.00 3.52 C ATOM 1569 C LEU A 103 -4.493 12.984 4.798 1.00 21.32 C ATOM 1570 O LEU A 103 -4.358 14.190 4.980 1.00 71.44 O ATOM 1571 CB LEU A 103 -2.771 11.244 4.228 1.00 61.12 C ATOM 1572 CG LEU A 103 -2.038 12.143 3.215 1.00 4.24 C ATOM 1573 CD1 LEU A 103 -0.921 12.933 3.891 1.00 52.41 C ATOM 1574 CD2 LEU A 103 -1.490 11.315 2.053 1.00 24.42 C ATOM 0 H LEU A 103 -4.036 10.048 5.980 1.00 3.34 H new ATOM 0 HA LEU A 103 -2.748 12.536 5.959 1.00 3.52 H new ATOM 0 HB2 LEU A 103 -2.050 10.549 4.659 1.00 61.12 H new ATOM 0 HB3 LEU A 103 -3.508 10.647 3.691 1.00 61.12 H new ATOM 0 HG LEU A 103 -2.759 12.856 2.815 1.00 4.24 H new ATOM 0 HD11 LEU A 103 -0.420 13.559 3.153 1.00 52.41 H new ATOM 0 HD12 LEU A 103 -1.343 13.562 4.674 1.00 52.41 H new ATOM 0 HD13 LEU A 103 -0.201 12.242 4.329 1.00 52.41 H new ATOM 0 HD21 LEU A 103 -0.976 11.970 1.350 1.00 24.42 H new ATOM 0 HD22 LEU A 103 -0.790 10.572 2.434 1.00 24.42 H new ATOM 0 HD23 LEU A 103 -2.313 10.812 1.545 1.00 24.42 H new ATOM 1586 N GLN A 104 -5.525 12.470 4.132 1.00 74.31 N ATOM 1587 CA GLN A 104 -6.519 13.315 3.448 1.00 54.11 C ATOM 1588 C GLN A 104 -7.264 14.272 4.406 1.00 14.51 C ATOM 1589 O GLN A 104 -7.956 15.185 3.958 1.00 14.03 O ATOM 1590 CB GLN A 104 -7.526 12.428 2.704 1.00 30.33 C ATOM 1591 CG GLN A 104 -8.298 11.481 3.614 1.00 55.22 C ATOM 1592 CD GLN A 104 -9.160 10.497 2.844 1.00 53.32 C ATOM 1593 OE1 GLN A 104 -10.320 10.762 2.545 1.00 50.24 O ATOM 1594 NE2 GLN A 104 -8.599 9.351 2.519 1.00 14.12 N ATOM 0 H GLN A 104 -5.701 11.469 4.048 1.00 74.31 H new ATOM 0 HA GLN A 104 -5.973 13.942 2.743 1.00 54.11 H new ATOM 0 HB2 GLN A 104 -8.234 13.064 2.172 1.00 30.33 H new ATOM 0 HB3 GLN A 104 -6.996 11.843 1.952 1.00 30.33 H new ATOM 0 HG2 GLN A 104 -7.594 10.930 4.238 1.00 55.22 H new ATOM 0 HG3 GLN A 104 -8.930 12.063 4.284 1.00 55.22 H new ATOM 0 HE21 GLN A 104 -7.632 9.163 2.784 1.00 14.12 H new ATOM 0 HE22 GLN A 104 -9.131 8.651 2.003 1.00 14.12 H new ATOM 1603 N VAL A 105 -7.137 14.056 5.717 1.00 43.33 N ATOM 1604 CA VAL A 105 -7.762 14.948 6.708 1.00 24.12 C ATOM 1605 C VAL A 105 -6.720 15.768 7.495 1.00 54.52 C ATOM 1606 O VAL A 105 -7.064 16.749 8.161 1.00 11.43 O ATOM 1607 CB VAL A 105 -8.651 14.161 7.708 1.00 54.30 C ATOM 1608 CG1 VAL A 105 -9.745 13.388 6.973 1.00 53.13 C ATOM 1609 CG2 VAL A 105 -7.808 13.221 8.569 1.00 44.01 C ATOM 0 H VAL A 105 -6.613 13.279 6.119 1.00 43.33 H new ATOM 0 HA VAL A 105 -8.387 15.636 6.138 1.00 24.12 H new ATOM 0 HB VAL A 105 -9.131 14.883 8.369 1.00 54.30 H new ATOM 0 HG11 VAL A 105 -10.354 12.845 7.695 1.00 53.13 H new ATOM 0 HG12 VAL A 105 -10.374 14.085 6.419 1.00 53.13 H new ATOM 0 HG13 VAL A 105 -9.288 12.682 6.280 1.00 53.13 H new ATOM 0 HG21 VAL A 105 -8.456 12.682 9.261 1.00 44.01 H new ATOM 0 HG22 VAL A 105 -7.289 12.508 7.928 1.00 44.01 H new ATOM 0 HG23 VAL A 105 -7.078 13.801 9.133 1.00 44.01 H new ATOM 1619 N SER A 106 -5.448 15.369 7.413 1.00 43.34 N ATOM 1620 CA SER A 106 -4.364 16.043 8.160 1.00 34.24 C ATOM 1621 C SER A 106 -3.243 16.544 7.233 1.00 1.32 C ATOM 1622 O SER A 106 -2.192 16.993 7.699 1.00 10.21 O ATOM 1623 CB SER A 106 -3.771 15.088 9.208 1.00 41.23 C ATOM 1624 OG SER A 106 -2.771 15.726 9.991 1.00 74.14 O ATOM 0 H SER A 106 -5.136 14.585 6.840 1.00 43.34 H new ATOM 0 HA SER A 106 -4.804 16.911 8.651 1.00 34.24 H new ATOM 0 HB2 SER A 106 -4.565 14.723 9.859 1.00 41.23 H new ATOM 0 HB3 SER A 106 -3.343 14.219 8.708 1.00 41.23 H new ATOM 0 HG SER A 106 -2.270 16.355 9.432 1.00 74.14 H new ATOM 1630 N SER A 107 -3.471 16.477 5.923 1.00 75.52 N ATOM 1631 CA SER A 107 -2.471 16.900 4.930 1.00 24.44 C ATOM 1632 C SER A 107 -2.261 18.418 4.941 1.00 31.43 C ATOM 1633 O SER A 107 -1.142 18.894 5.156 1.00 63.12 O ATOM 1634 CB SER A 107 -2.896 16.455 3.521 1.00 61.02 C ATOM 1635 OG SER A 107 -4.164 16.992 3.171 1.00 33.52 O ATOM 0 H SER A 107 -4.342 16.133 5.518 1.00 75.52 H new ATOM 0 HA SER A 107 -1.528 16.424 5.200 1.00 24.44 H new ATOM 0 HB2 SER A 107 -2.149 16.777 2.795 1.00 61.02 H new ATOM 0 HB3 SER A 107 -2.935 15.367 3.477 1.00 61.02 H new ATOM 0 HG SER A 107 -4.505 16.533 2.375 1.00 33.52 H new ATOM 1641 N ALA A 108 -3.343 19.161 4.692 1.00 14.03 N ATOM 1642 CA ALA A 108 -3.311 20.633 4.607 1.00 63.24 C ATOM 1643 C ALA A 108 -2.612 21.104 3.319 1.00 11.21 C ATOM 1644 O ALA A 108 -3.209 21.805 2.498 1.00 64.23 O ATOM 1645 CB ALA A 108 -2.655 21.249 5.844 1.00 72.22 C ATOM 0 H ALA A 108 -4.270 18.763 4.543 1.00 14.03 H new ATOM 0 HA ALA A 108 -4.344 20.980 4.572 1.00 63.24 H new ATOM 0 HB1 ALA A 108 -2.648 22.335 5.749 1.00 72.22 H new ATOM 0 HB2 ALA A 108 -3.218 20.966 6.733 1.00 72.22 H new ATOM 0 HB3 ALA A 108 -1.631 20.885 5.932 1.00 72.22 H new ATOM 1651 N ALA A 109 -1.346 20.715 3.151 1.00 62.11 N ATOM 1652 CA ALA A 109 -0.588 21.006 1.927 1.00 34.15 C ATOM 1653 C ALA A 109 -1.217 20.313 0.704 1.00 21.10 C ATOM 1654 O ALA A 109 -1.464 19.106 0.725 1.00 1.22 O ATOM 1655 CB ALA A 109 0.870 20.573 2.097 1.00 2.53 C ATOM 0 H ALA A 109 -0.819 20.194 3.852 1.00 62.11 H new ATOM 0 HA ALA A 109 -0.621 22.082 1.753 1.00 34.15 H new ATOM 0 HB1 ALA A 109 1.424 20.793 1.184 1.00 2.53 H new ATOM 0 HB2 ALA A 109 1.316 21.115 2.931 1.00 2.53 H new ATOM 0 HB3 ALA A 109 0.911 19.502 2.297 1.00 2.53 H new ATOM 1661 N ALA A 110 -1.471 21.085 -0.355 1.00 61.54 N ATOM 1662 CA ALA A 110 -2.131 20.566 -1.564 1.00 61.22 C ATOM 1663 C ALA A 110 -1.343 19.414 -2.217 1.00 34.05 C ATOM 1664 O ALA A 110 -1.906 18.361 -2.520 1.00 24.41 O ATOM 1665 CB ALA A 110 -2.342 21.696 -2.564 1.00 31.00 C ATOM 0 H ALA A 110 -1.230 22.075 -0.404 1.00 61.54 H new ATOM 0 HA ALA A 110 -3.095 20.159 -1.260 1.00 61.22 H new ATOM 0 HB1 ALA A 110 -2.831 21.305 -3.457 1.00 31.00 H new ATOM 0 HB2 ALA A 110 -2.968 22.467 -2.115 1.00 31.00 H new ATOM 0 HB3 ALA A 110 -1.378 22.125 -2.837 1.00 31.00 H new ATOM 1671 N GLY A 111 -0.045 19.621 -2.434 1.00 31.54 N ATOM 1672 CA GLY A 111 0.782 18.589 -3.054 1.00 24.23 C ATOM 1673 C GLY A 111 2.279 18.855 -2.924 1.00 61.22 C ATOM 1674 O GLY A 111 2.930 19.285 -3.880 1.00 61.12 O ATOM 0 H GLY A 111 0.450 20.480 -2.194 1.00 31.54 H new ATOM 0 HA2 GLY A 111 0.550 17.626 -2.599 1.00 24.23 H new ATOM 0 HA3 GLY A 111 0.524 18.513 -4.110 1.00 24.23 H new ATOM 1678 N VAL A 112 2.827 18.603 -1.736 1.00 73.25 N ATOM 1679 CA VAL A 112 4.261 18.806 -1.484 1.00 65.03 C ATOM 1680 C VAL A 112 4.941 17.484 -1.072 1.00 2.24 C ATOM 1681 O VAL A 112 4.582 16.883 -0.056 1.00 34.40 O ATOM 1682 CB VAL A 112 4.492 19.870 -0.379 1.00 23.04 C ATOM 1683 CG1 VAL A 112 5.979 20.196 -0.236 1.00 73.03 C ATOM 1684 CG2 VAL A 112 3.681 21.134 -0.663 1.00 2.24 C ATOM 0 H VAL A 112 2.304 18.258 -0.931 1.00 73.25 H new ATOM 0 HA VAL A 112 4.705 19.162 -2.414 1.00 65.03 H new ATOM 0 HB VAL A 112 4.147 19.453 0.567 1.00 23.04 H new ATOM 0 HG11 VAL A 112 6.114 20.944 0.545 1.00 73.03 H new ATOM 0 HG12 VAL A 112 6.526 19.291 0.030 1.00 73.03 H new ATOM 0 HG13 VAL A 112 6.359 20.585 -1.181 1.00 73.03 H new ATOM 0 HG21 VAL A 112 3.859 21.865 0.125 1.00 2.24 H new ATOM 0 HG22 VAL A 112 3.984 21.553 -1.622 1.00 2.24 H new ATOM 0 HG23 VAL A 112 2.620 20.886 -0.695 1.00 2.24 H new ATOM 1694 N PRO A 113 5.941 17.020 -1.848 1.00 33.12 N ATOM 1695 CA PRO A 113 6.601 15.724 -1.601 1.00 73.14 C ATOM 1696 C PRO A 113 7.387 15.686 -0.276 1.00 3.04 C ATOM 1697 O PRO A 113 8.304 16.483 -0.057 1.00 73.21 O ATOM 1698 CB PRO A 113 7.551 15.574 -2.802 1.00 53.02 C ATOM 1699 CG PRO A 113 7.799 16.973 -3.265 1.00 24.11 C ATOM 1700 CD PRO A 113 6.515 17.719 -3.016 1.00 70.41 C ATOM 0 HA PRO A 113 5.875 14.916 -1.507 1.00 73.14 H new ATOM 0 HB2 PRO A 113 8.480 15.082 -2.513 1.00 53.02 H new ATOM 0 HB3 PRO A 113 7.101 14.970 -3.590 1.00 53.02 H new ATOM 0 HG2 PRO A 113 8.627 17.425 -2.719 1.00 24.11 H new ATOM 0 HG3 PRO A 113 8.065 16.994 -4.322 1.00 24.11 H new ATOM 0 HD2 PRO A 113 6.696 18.773 -2.806 1.00 70.41 H new ATOM 0 HD3 PRO A 113 5.850 17.675 -3.878 1.00 70.41 H new ATOM 1708 N GLY A 114 7.019 14.751 0.600 1.00 50.53 N ATOM 1709 CA GLY A 114 7.714 14.585 1.877 1.00 0.43 C ATOM 1710 C GLY A 114 7.599 15.791 2.811 1.00 0.21 C ATOM 1711 O GLY A 114 8.520 16.077 3.576 1.00 34.21 O ATOM 0 H GLY A 114 6.248 14.100 0.450 1.00 50.53 H new ATOM 0 HA2 GLY A 114 7.315 13.707 2.384 1.00 0.43 H new ATOM 0 HA3 GLY A 114 8.768 14.389 1.682 1.00 0.43 H new ATOM 1715 N THR A 115 6.471 16.503 2.748 1.00 72.34 N ATOM 1716 CA THR A 115 6.245 17.668 3.625 1.00 41.24 C ATOM 1717 C THR A 115 5.773 17.243 5.024 1.00 2.31 C ATOM 1718 O THR A 115 5.905 17.995 5.989 1.00 1.30 O ATOM 1719 CB THR A 115 5.209 18.651 3.024 1.00 30.33 C ATOM 1720 OG1 THR A 115 5.115 19.842 3.826 1.00 3.14 O ATOM 1721 CG2 THR A 115 3.829 18.005 2.906 1.00 23.34 C ATOM 0 H THR A 115 5.703 16.301 2.108 1.00 72.34 H new ATOM 0 HA THR A 115 7.207 18.173 3.709 1.00 41.24 H new ATOM 0 HB THR A 115 5.554 18.915 2.024 1.00 30.33 H new ATOM 0 HG1 THR A 115 4.457 20.452 3.431 1.00 3.14 H new ATOM 0 HG21 THR A 115 3.127 18.722 2.481 1.00 23.34 H new ATOM 0 HG22 THR A 115 3.891 17.130 2.259 1.00 23.34 H new ATOM 0 HG23 THR A 115 3.484 17.701 3.894 1.00 23.34 H new ATOM 1729 N ASN A 116 5.201 16.043 5.120 1.00 74.22 N ATOM 1730 CA ASN A 116 4.753 15.487 6.406 1.00 13.14 C ATOM 1731 C ASN A 116 5.186 14.016 6.556 1.00 72.42 C ATOM 1732 O ASN A 116 5.333 13.300 5.560 1.00 51.30 O ATOM 1733 CB ASN A 116 3.229 15.605 6.553 1.00 14.01 C ATOM 1734 CG ASN A 116 2.474 14.929 5.423 1.00 72.15 C ATOM 1735 OD1 ASN A 116 2.271 13.720 5.432 1.00 41.43 O ATOM 1736 ND2 ASN A 116 2.023 15.705 4.460 1.00 45.13 N ATOM 0 H ASN A 116 5.034 15.431 4.321 1.00 74.22 H new ATOM 0 HA ASN A 116 5.226 16.068 7.198 1.00 13.14 H new ATOM 0 HB2 ASN A 116 2.925 15.163 7.502 1.00 14.01 H new ATOM 0 HB3 ASN A 116 2.953 16.659 6.589 1.00 14.01 H new ATOM 0 HD21 ASN A 116 1.487 15.304 3.691 1.00 45.13 H new ATOM 0 HD22 ASN A 116 2.210 16.707 4.483 1.00 45.13 H new ATOM 1743 N PRO A 117 5.394 13.545 7.805 1.00 32.12 N ATOM 1744 CA PRO A 117 5.814 12.154 8.078 1.00 31.13 C ATOM 1745 C PRO A 117 4.870 11.099 7.477 1.00 13.44 C ATOM 1746 O PRO A 117 5.312 10.030 7.058 1.00 42.22 O ATOM 1747 CB PRO A 117 5.803 12.070 9.613 1.00 71.13 C ATOM 1748 CG PRO A 117 5.976 13.481 10.068 1.00 52.11 C ATOM 1749 CD PRO A 117 5.263 14.329 9.051 1.00 63.23 C ATOM 0 HA PRO A 117 6.782 11.940 7.625 1.00 31.13 H new ATOM 0 HB2 PRO A 117 4.868 11.647 9.980 1.00 71.13 H new ATOM 0 HB3 PRO A 117 6.607 11.433 9.981 1.00 71.13 H new ATOM 0 HG2 PRO A 117 5.554 13.626 11.063 1.00 52.11 H new ATOM 0 HG3 PRO A 117 7.032 13.746 10.128 1.00 52.11 H new ATOM 0 HD2 PRO A 117 4.218 14.487 9.319 1.00 63.23 H new ATOM 0 HD3 PRO A 117 5.720 15.314 8.957 1.00 63.23 H new ATOM 1757 N VAL A 118 3.571 11.412 7.430 1.00 12.22 N ATOM 1758 CA VAL A 118 2.563 10.481 6.899 1.00 1.23 C ATOM 1759 C VAL A 118 2.923 10.006 5.481 1.00 31.12 C ATOM 1760 O VAL A 118 2.806 8.822 5.163 1.00 51.20 O ATOM 1761 CB VAL A 118 1.148 11.118 6.881 1.00 50.12 C ATOM 1762 CG1 VAL A 118 0.101 10.104 6.416 1.00 55.13 C ATOM 1763 CG2 VAL A 118 0.787 11.678 8.257 1.00 24.42 C ATOM 0 H VAL A 118 3.190 12.302 7.752 1.00 12.22 H new ATOM 0 HA VAL A 118 2.554 9.621 7.569 1.00 1.23 H new ATOM 0 HB VAL A 118 1.158 11.945 6.171 1.00 50.12 H new ATOM 0 HG11 VAL A 118 -0.883 10.573 6.411 1.00 55.13 H new ATOM 0 HG12 VAL A 118 0.346 9.764 5.410 1.00 55.13 H new ATOM 0 HG13 VAL A 118 0.093 9.251 7.095 1.00 55.13 H new ATOM 0 HG21 VAL A 118 -0.209 12.119 8.220 1.00 24.42 H new ATOM 0 HG22 VAL A 118 0.800 10.873 8.992 1.00 24.42 H new ATOM 0 HG23 VAL A 118 1.512 12.441 8.541 1.00 24.42 H new ATOM 1773 N LEU A 119 3.385 10.934 4.643 1.00 50.20 N ATOM 1774 CA LEU A 119 3.812 10.604 3.274 1.00 42.42 C ATOM 1775 C LEU A 119 4.908 9.527 3.271 1.00 11.05 C ATOM 1776 O LEU A 119 4.847 8.562 2.509 1.00 23.10 O ATOM 1777 CB LEU A 119 4.317 11.863 2.555 1.00 54.12 C ATOM 1778 CG LEU A 119 3.279 12.985 2.387 1.00 21.04 C ATOM 1779 CD1 LEU A 119 3.893 14.200 1.700 1.00 4.42 C ATOM 1780 CD2 LEU A 119 2.065 12.479 1.614 1.00 2.42 C ATOM 0 H LEU A 119 3.475 11.921 4.884 1.00 50.20 H new ATOM 0 HA LEU A 119 2.946 10.208 2.744 1.00 42.42 H new ATOM 0 HB2 LEU A 119 5.170 12.259 3.107 1.00 54.12 H new ATOM 0 HB3 LEU A 119 4.681 11.577 1.568 1.00 54.12 H new ATOM 0 HG LEU A 119 2.949 13.294 3.379 1.00 21.04 H new ATOM 0 HD11 LEU A 119 3.137 14.978 1.594 1.00 4.42 H new ATOM 0 HD12 LEU A 119 4.721 14.577 2.300 1.00 4.42 H new ATOM 0 HD13 LEU A 119 4.260 13.914 0.714 1.00 4.42 H new ATOM 0 HD21 LEU A 119 1.341 13.286 1.505 1.00 2.42 H new ATOM 0 HD22 LEU A 119 2.378 12.137 0.628 1.00 2.42 H new ATOM 0 HD23 LEU A 119 1.607 11.652 2.157 1.00 2.42 H new ATOM 1792 N ASN A 120 5.906 9.696 4.133 1.00 12.15 N ATOM 1793 CA ASN A 120 7.002 8.727 4.240 1.00 1.40 C ATOM 1794 C ASN A 120 6.548 7.444 4.955 1.00 13.31 C ATOM 1795 O ASN A 120 7.101 6.365 4.726 1.00 23.51 O ATOM 1796 CB ASN A 120 8.200 9.356 4.957 1.00 35.12 C ATOM 1797 CG ASN A 120 8.783 10.529 4.183 1.00 51.14 C ATOM 1798 OD1 ASN A 120 8.712 10.583 2.957 1.00 53.12 O ATOM 1799 ND2 ASN A 120 9.368 11.475 4.887 1.00 22.02 N ATOM 0 H ASN A 120 5.982 10.491 4.768 1.00 12.15 H new ATOM 0 HA ASN A 120 7.307 8.449 3.231 1.00 1.40 H new ATOM 0 HB2 ASN A 120 7.893 9.693 5.947 1.00 35.12 H new ATOM 0 HB3 ASN A 120 8.972 8.600 5.103 1.00 35.12 H new ATOM 0 HD21 ASN A 120 9.778 12.281 4.416 1.00 22.02 H new ATOM 0 HD22 ASN A 120 9.411 11.402 5.903 1.00 22.02 H new ATOM 1806 N ASN A 121 5.537 7.560 5.815 1.00 62.31 N ATOM 1807 CA ASN A 121 4.922 6.384 6.441 1.00 2.15 C ATOM 1808 C ASN A 121 4.181 5.544 5.390 1.00 65.22 C ATOM 1809 O ASN A 121 4.161 4.312 5.461 1.00 72.13 O ATOM 1810 CB ASN A 121 3.965 6.794 7.570 1.00 52.14 C ATOM 1811 CG ASN A 121 4.690 7.464 8.721 1.00 14.13 C ATOM 1812 OD1 ASN A 121 5.862 7.203 8.970 1.00 54.02 O ATOM 1813 ND2 ASN A 121 3.998 8.319 9.445 1.00 44.31 N ATOM 0 H ASN A 121 5.126 8.451 6.095 1.00 62.31 H new ATOM 0 HA ASN A 121 5.718 5.779 6.876 1.00 2.15 H new ATOM 0 HB2 ASN A 121 3.209 7.473 7.175 1.00 52.14 H new ATOM 0 HB3 ASN A 121 3.440 5.912 7.937 1.00 52.14 H new ATOM 0 HD21 ASN A 121 4.436 8.786 10.239 1.00 44.31 H new ATOM 0 HD22 ASN A 121 3.024 8.514 9.211 1.00 44.31 H new ATOM 1820 N LEU A 122 3.575 6.222 4.411 1.00 40.33 N ATOM 1821 CA LEU A 122 2.999 5.542 3.250 1.00 70.02 C ATOM 1822 C LEU A 122 4.084 4.750 2.514 1.00 62.52 C ATOM 1823 O LEU A 122 3.884 3.594 2.156 1.00 30.52 O ATOM 1824 CB LEU A 122 2.343 6.550 2.291 1.00 61.32 C ATOM 1825 CG LEU A 122 1.082 7.252 2.823 1.00 51.44 C ATOM 1826 CD1 LEU A 122 0.556 8.260 1.804 1.00 25.51 C ATOM 1827 CD2 LEU A 122 0.002 6.232 3.171 1.00 44.10 C ATOM 0 H LEU A 122 3.471 7.237 4.400 1.00 40.33 H new ATOM 0 HA LEU A 122 2.230 4.855 3.604 1.00 70.02 H new ATOM 0 HB2 LEU A 122 3.079 7.311 2.034 1.00 61.32 H new ATOM 0 HB3 LEU A 122 2.086 6.031 1.368 1.00 61.32 H new ATOM 0 HG LEU A 122 1.351 7.790 3.732 1.00 51.44 H new ATOM 0 HD11 LEU A 122 -0.336 8.746 2.200 1.00 25.51 H new ATOM 0 HD12 LEU A 122 1.321 9.011 1.607 1.00 25.51 H new ATOM 0 HD13 LEU A 122 0.307 7.744 0.877 1.00 25.51 H new ATOM 0 HD21 LEU A 122 -0.881 6.750 3.545 1.00 44.10 H new ATOM 0 HD22 LEU A 122 -0.262 5.663 2.280 1.00 44.10 H new ATOM 0 HD23 LEU A 122 0.376 5.553 3.937 1.00 44.10 H new ATOM 1839 N LEU A 123 5.244 5.379 2.311 1.00 24.44 N ATOM 1840 CA LEU A 123 6.395 4.701 1.704 1.00 53.23 C ATOM 1841 C LEU A 123 6.789 3.458 2.518 1.00 34.43 C ATOM 1842 O LEU A 123 7.008 2.386 1.958 1.00 11.32 O ATOM 1843 CB LEU A 123 7.588 5.665 1.595 1.00 32.02 C ATOM 1844 CG LEU A 123 8.834 5.099 0.890 1.00 55.43 C ATOM 1845 CD1 LEU A 123 8.514 4.711 -0.554 1.00 40.52 C ATOM 1846 CD2 LEU A 123 9.987 6.100 0.937 1.00 31.31 C ATOM 0 H LEU A 123 5.412 6.354 2.557 1.00 24.44 H new ATOM 0 HA LEU A 123 6.111 4.379 0.702 1.00 53.23 H new ATOM 0 HB2 LEU A 123 7.264 6.558 1.061 1.00 32.02 H new ATOM 0 HB3 LEU A 123 7.872 5.980 2.599 1.00 32.02 H new ATOM 0 HG LEU A 123 9.143 4.200 1.423 1.00 55.43 H new ATOM 0 HD11 LEU A 123 9.410 4.314 -1.031 1.00 40.52 H new ATOM 0 HD12 LEU A 123 7.732 3.952 -0.562 1.00 40.52 H new ATOM 0 HD13 LEU A 123 8.172 5.590 -1.100 1.00 40.52 H new ATOM 0 HD21 LEU A 123 10.856 5.678 0.433 1.00 31.31 H new ATOM 0 HD22 LEU A 123 9.689 7.022 0.437 1.00 31.31 H new ATOM 0 HD23 LEU A 123 10.239 6.316 1.975 1.00 31.31 H new ATOM 1858 N SER A 124 6.868 3.614 3.842 1.00 73.24 N ATOM 1859 CA SER A 124 7.136 2.488 4.756 1.00 32.21 C ATOM 1860 C SER A 124 6.151 1.333 4.523 1.00 20.41 C ATOM 1861 O SER A 124 6.550 0.171 4.412 1.00 3.24 O ATOM 1862 CB SER A 124 7.053 2.957 6.220 1.00 3.43 C ATOM 1863 OG SER A 124 7.114 1.865 7.132 1.00 31.03 O ATOM 0 H SER A 124 6.750 4.512 4.312 1.00 73.24 H new ATOM 0 HA SER A 124 8.143 2.125 4.550 1.00 32.21 H new ATOM 0 HB2 SER A 124 7.870 3.648 6.427 1.00 3.43 H new ATOM 0 HB3 SER A 124 6.124 3.506 6.373 1.00 3.43 H new ATOM 0 HG SER A 124 7.060 2.202 8.050 1.00 31.03 H new ATOM 1869 N CYS A 125 4.866 1.670 4.429 1.00 1.35 N ATOM 1870 CA CYS A 125 3.815 0.675 4.178 1.00 12.31 C ATOM 1871 C CYS A 125 3.998 0.011 2.804 1.00 21.34 C ATOM 1872 O CYS A 125 4.004 -1.214 2.691 1.00 42.33 O ATOM 1873 CB CYS A 125 2.427 1.329 4.258 1.00 71.21 C ATOM 1874 SG CYS A 125 2.059 2.104 5.850 1.00 30.45 S ATOM 0 H CYS A 125 4.523 2.626 4.523 1.00 1.35 H new ATOM 0 HA CYS A 125 3.894 -0.094 4.947 1.00 12.31 H new ATOM 0 HB2 CYS A 125 2.347 2.082 3.474 1.00 71.21 H new ATOM 0 HB3 CYS A 125 1.670 0.573 4.052 1.00 71.21 H new ATOM 0 HG CYS A 125 2.826 3.140 6.016 1.00 30.45 H new ATOM 1880 N VAL A 126 4.166 0.832 1.767 1.00 52.11 N ATOM 1881 CA VAL A 126 4.353 0.337 0.396 1.00 50.41 C ATOM 1882 C VAL A 126 5.583 -0.581 0.282 1.00 21.41 C ATOM 1883 O VAL A 126 5.522 -1.642 -0.345 1.00 73.20 O ATOM 1884 CB VAL A 126 4.487 1.513 -0.611 1.00 2.25 C ATOM 1885 CG1 VAL A 126 4.762 1.003 -2.025 1.00 71.33 C ATOM 1886 CG2 VAL A 126 3.229 2.381 -0.587 1.00 13.55 C ATOM 0 H VAL A 126 4.177 1.849 1.848 1.00 52.11 H new ATOM 0 HA VAL A 126 3.465 -0.245 0.149 1.00 50.41 H new ATOM 0 HB VAL A 126 5.338 2.123 -0.306 1.00 2.25 H new ATOM 0 HG11 VAL A 126 4.851 1.849 -2.706 1.00 71.33 H new ATOM 0 HG12 VAL A 126 5.691 0.433 -2.032 1.00 71.33 H new ATOM 0 HG13 VAL A 126 3.941 0.363 -2.347 1.00 71.33 H new ATOM 0 HG21 VAL A 126 3.339 3.200 -1.298 1.00 13.55 H new ATOM 0 HG22 VAL A 126 2.364 1.776 -0.861 1.00 13.55 H new ATOM 0 HG23 VAL A 126 3.086 2.786 0.415 1.00 13.55 H new ATOM 1896 N GLN A 127 6.694 -0.168 0.895 1.00 71.41 N ATOM 1897 CA GLN A 127 7.921 -0.976 0.911 1.00 62.12 C ATOM 1898 C GLN A 127 7.671 -2.355 1.533 1.00 33.45 C ATOM 1899 O GLN A 127 8.137 -3.369 1.016 1.00 43.44 O ATOM 1900 CB GLN A 127 9.036 -0.261 1.690 1.00 43.31 C ATOM 1901 CG GLN A 127 9.552 1.013 1.025 1.00 61.31 C ATOM 1902 CD GLN A 127 10.618 1.722 1.851 1.00 34.13 C ATOM 1903 OE1 GLN A 127 10.629 1.646 3.079 1.00 2.32 O ATOM 1904 NE2 GLN A 127 11.519 2.418 1.189 1.00 4.44 N ATOM 0 H GLN A 127 6.772 0.722 1.388 1.00 71.41 H new ATOM 0 HA GLN A 127 8.234 -1.109 -0.125 1.00 62.12 H new ATOM 0 HB2 GLN A 127 8.666 -0.013 2.685 1.00 43.31 H new ATOM 0 HB3 GLN A 127 9.870 -0.951 1.823 1.00 43.31 H new ATOM 0 HG2 GLN A 127 9.963 0.765 0.046 1.00 61.31 H new ATOM 0 HG3 GLN A 127 8.717 1.693 0.857 1.00 61.31 H new ATOM 0 HE21 GLN A 127 11.483 2.461 0.171 1.00 4.44 H new ATOM 0 HE22 GLN A 127 12.253 2.914 1.695 1.00 4.44 H new ATOM 1913 N GLU A 128 6.942 -2.382 2.649 1.00 4.31 N ATOM 1914 CA GLU A 128 6.620 -3.639 3.335 1.00 31.21 C ATOM 1915 C GLU A 128 5.697 -4.520 2.471 1.00 44.15 C ATOM 1916 O GLU A 128 6.018 -5.670 2.178 1.00 24.44 O ATOM 1917 CB GLU A 128 5.948 -3.344 4.687 1.00 43.33 C ATOM 1918 CG GLU A 128 5.720 -4.578 5.561 1.00 75.55 C ATOM 1919 CD GLU A 128 6.993 -5.081 6.228 1.00 3.43 C ATOM 1920 OE1 GLU A 128 7.795 -5.771 5.564 1.00 72.11 O ATOM 1921 OE2 GLU A 128 7.198 -4.782 7.424 1.00 23.31 O ATOM 0 H GLU A 128 6.562 -1.549 3.099 1.00 4.31 H new ATOM 0 HA GLU A 128 7.550 -4.182 3.505 1.00 31.21 H new ATOM 0 HB2 GLU A 128 6.564 -2.632 5.237 1.00 43.33 H new ATOM 0 HB3 GLU A 128 4.988 -2.861 4.504 1.00 43.33 H new ATOM 0 HG2 GLU A 128 4.984 -4.341 6.329 1.00 75.55 H new ATOM 0 HG3 GLU A 128 5.298 -5.376 4.950 1.00 75.55 H new ATOM 1928 N ILE A 129 4.563 -3.954 2.047 1.00 23.01 N ATOM 1929 CA ILE A 129 3.570 -4.681 1.237 1.00 54.44 C ATOM 1930 C ILE A 129 4.199 -5.315 -0.014 1.00 60.53 C ATOM 1931 O ILE A 129 4.119 -6.529 -0.223 1.00 64.44 O ATOM 1932 CB ILE A 129 2.422 -3.736 0.791 1.00 12.41 C ATOM 1933 CG1 ILE A 129 1.694 -3.157 2.014 1.00 30.33 C ATOM 1934 CG2 ILE A 129 1.437 -4.462 -0.128 1.00 74.03 C ATOM 1935 CD1 ILE A 129 0.640 -2.125 1.668 1.00 21.31 C ATOM 0 H ILE A 129 4.305 -2.988 2.251 1.00 23.01 H new ATOM 0 HA ILE A 129 3.175 -5.474 1.871 1.00 54.44 H new ATOM 0 HB ILE A 129 2.862 -2.913 0.228 1.00 12.41 H new ATOM 0 HG12 ILE A 129 1.224 -3.972 2.564 1.00 30.33 H new ATOM 0 HG13 ILE A 129 2.428 -2.704 2.681 1.00 30.33 H new ATOM 0 HG21 ILE A 129 0.643 -3.776 -0.425 1.00 74.03 H new ATOM 0 HG22 ILE A 129 1.961 -4.817 -1.015 1.00 74.03 H new ATOM 0 HG23 ILE A 129 1.004 -5.311 0.401 1.00 74.03 H new ATOM 0 HD11 ILE A 129 0.171 -1.763 2.583 1.00 21.31 H new ATOM 0 HD12 ILE A 129 1.106 -1.290 1.145 1.00 21.31 H new ATOM 0 HD13 ILE A 129 -0.116 -2.578 1.027 1.00 21.31 H new ATOM 1947 N SER A 130 4.833 -4.484 -0.838 1.00 12.12 N ATOM 1948 CA SER A 130 5.443 -4.948 -2.091 1.00 73.34 C ATOM 1949 C SER A 130 6.531 -6.000 -1.834 1.00 52.23 C ATOM 1950 O SER A 130 6.661 -6.964 -2.589 1.00 44.42 O ATOM 1951 CB SER A 130 6.041 -3.767 -2.868 1.00 3.33 C ATOM 1952 OG SER A 130 7.095 -3.153 -2.141 1.00 21.52 O ATOM 0 H SER A 130 4.940 -3.485 -0.664 1.00 12.12 H new ATOM 0 HA SER A 130 4.654 -5.410 -2.685 1.00 73.34 H new ATOM 0 HB2 SER A 130 6.415 -4.114 -3.831 1.00 3.33 H new ATOM 0 HB3 SER A 130 5.262 -3.033 -3.074 1.00 3.33 H new ATOM 0 HG SER A 130 6.719 -2.569 -1.450 1.00 21.52 H new ATOM 1958 N ASP A 131 7.302 -5.814 -0.763 1.00 71.45 N ATOM 1959 CA ASP A 131 8.380 -6.741 -0.405 1.00 32.42 C ATOM 1960 C ASP A 131 7.821 -8.115 0.007 1.00 55.45 C ATOM 1961 O ASP A 131 8.362 -9.156 -0.367 1.00 61.00 O ATOM 1962 CB ASP A 131 9.218 -6.144 0.728 1.00 25.35 C ATOM 1963 CG ASP A 131 10.530 -6.875 0.932 1.00 3.12 C ATOM 1964 OD1 ASP A 131 10.545 -7.891 1.654 1.00 50.24 O ATOM 1965 OD2 ASP A 131 11.553 -6.434 0.365 1.00 41.21 O ATOM 0 H ASP A 131 7.201 -5.026 -0.124 1.00 71.45 H new ATOM 0 HA ASP A 131 9.012 -6.890 -1.281 1.00 32.42 H new ATOM 0 HB2 ASP A 131 9.421 -5.095 0.511 1.00 25.35 H new ATOM 0 HB3 ASP A 131 8.643 -6.172 1.654 1.00 25.35 H new ATOM 1970 N VAL A 132 6.729 -8.108 0.776 1.00 52.34 N ATOM 1971 CA VAL A 132 6.052 -9.348 1.185 1.00 32.12 C ATOM 1972 C VAL A 132 5.643 -10.193 -0.032 1.00 33.52 C ATOM 1973 O VAL A 132 5.752 -11.421 -0.018 1.00 34.12 O ATOM 1974 CB VAL A 132 4.795 -9.047 2.047 1.00 73.01 C ATOM 1975 CG1 VAL A 132 3.990 -10.321 2.316 1.00 43.33 C ATOM 1976 CG2 VAL A 132 5.192 -8.376 3.361 1.00 64.32 C ATOM 0 H VAL A 132 6.292 -7.257 1.130 1.00 52.34 H new ATOM 0 HA VAL A 132 6.766 -9.914 1.783 1.00 32.12 H new ATOM 0 HB VAL A 132 4.161 -8.361 1.485 1.00 73.01 H new ATOM 0 HG11 VAL A 132 3.117 -10.079 2.921 1.00 43.33 H new ATOM 0 HG12 VAL A 132 3.667 -10.754 1.369 1.00 43.33 H new ATOM 0 HG13 VAL A 132 4.613 -11.039 2.849 1.00 43.33 H new ATOM 0 HG21 VAL A 132 4.298 -8.173 3.951 1.00 64.32 H new ATOM 0 HG22 VAL A 132 5.854 -9.036 3.921 1.00 64.32 H new ATOM 0 HG23 VAL A 132 5.708 -7.439 3.150 1.00 64.32 H new ATOM 1986 N VAL A 133 5.197 -9.519 -1.090 1.00 11.51 N ATOM 1987 CA VAL A 133 4.796 -10.186 -2.336 1.00 22.21 C ATOM 1988 C VAL A 133 6.019 -10.761 -3.088 1.00 73.24 C ATOM 1989 O VAL A 133 5.883 -11.485 -4.076 1.00 21.11 O ATOM 1990 CB VAL A 133 4.024 -9.198 -3.254 1.00 51.11 C ATOM 1991 CG1 VAL A 133 3.442 -9.906 -4.476 1.00 63.45 C ATOM 1992 CG2 VAL A 133 2.923 -8.484 -2.469 1.00 51.15 C ATOM 0 H VAL A 133 5.102 -8.504 -1.113 1.00 11.51 H new ATOM 0 HA VAL A 133 4.141 -11.016 -2.072 1.00 22.21 H new ATOM 0 HB VAL A 133 4.735 -8.454 -3.612 1.00 51.11 H new ATOM 0 HG11 VAL A 133 2.909 -9.184 -5.095 1.00 63.45 H new ATOM 0 HG12 VAL A 133 4.249 -10.355 -5.055 1.00 63.45 H new ATOM 0 HG13 VAL A 133 2.752 -10.685 -4.151 1.00 63.45 H new ATOM 0 HG21 VAL A 133 2.393 -7.796 -3.128 1.00 51.15 H new ATOM 0 HG22 VAL A 133 2.222 -9.220 -2.074 1.00 51.15 H new ATOM 0 HG23 VAL A 133 3.367 -7.926 -1.645 1.00 51.15 H new ATOM 2002 N GLN A 134 7.220 -10.436 -2.608 1.00 11.23 N ATOM 2003 CA GLN A 134 8.469 -10.909 -3.221 1.00 45.43 C ATOM 2004 C GLN A 134 9.198 -11.925 -2.322 1.00 64.44 C ATOM 2005 O GLN A 134 10.364 -12.252 -2.558 1.00 23.43 O ATOM 2006 CB GLN A 134 9.388 -9.712 -3.499 1.00 51.21 C ATOM 2007 CG GLN A 134 8.710 -8.583 -4.265 1.00 43.53 C ATOM 2008 CD GLN A 134 9.645 -7.425 -4.565 1.00 14.24 C ATOM 2009 OE1 GLN A 134 10.841 -7.609 -4.758 1.00 33.32 O ATOM 2010 NE2 GLN A 134 9.109 -6.222 -4.595 1.00 72.15 N ATOM 0 H GLN A 134 7.358 -9.842 -1.790 1.00 11.23 H new ATOM 0 HA GLN A 134 8.216 -11.412 -4.154 1.00 45.43 H new ATOM 0 HB2 GLN A 134 9.760 -9.323 -2.551 1.00 51.21 H new ATOM 0 HB3 GLN A 134 10.254 -10.054 -4.065 1.00 51.21 H new ATOM 0 HG2 GLN A 134 8.313 -8.974 -5.202 1.00 43.53 H new ATOM 0 HG3 GLN A 134 7.861 -8.217 -3.687 1.00 43.53 H new ATOM 0 HE21 GLN A 134 8.109 -6.105 -4.430 1.00 72.15 H new ATOM 0 HE22 GLN A 134 9.694 -5.408 -4.783 1.00 72.15 H new ATOM 2019 N ARG A 135 8.515 -12.415 -1.287 1.00 33.23 N ATOM 2020 CA ARG A 135 9.114 -13.373 -0.341 1.00 30.15 C ATOM 2021 C ARG A 135 8.701 -14.826 -0.656 1.00 23.13 C ATOM 2022 O ARG A 135 9.438 -15.499 -1.410 1.00 37.02 O ATOM 2023 CB ARG A 135 8.736 -12.991 1.099 1.00 23.32 C ATOM 2024 CG ARG A 135 9.196 -11.589 1.475 1.00 31.02 C ATOM 2025 CD ARG A 135 8.803 -11.199 2.894 1.00 12.22 C ATOM 2026 NE ARG A 135 9.091 -9.792 3.139 1.00 11.45 N ATOM 2027 CZ ARG A 135 8.861 -9.160 4.255 1.00 32.14 C ATOM 2028 NH1 ARG A 135 8.421 -9.782 5.305 1.00 63.43 N ATOM 2029 NH2 ARG A 135 9.105 -7.894 4.322 1.00 72.00 N ATOM 2030 OXT ARG A 135 7.646 -15.284 -0.161 1.00 37.02 O ATOM 0 H ARG A 135 7.548 -12.168 -1.078 1.00 33.23 H new ATOM 0 HA ARG A 135 10.198 -13.322 -0.448 1.00 30.15 H new ATOM 0 HB2 ARG A 135 7.654 -13.058 1.216 1.00 23.32 H new ATOM 0 HB3 ARG A 135 9.176 -13.711 1.789 1.00 23.32 H new ATOM 0 HG2 ARG A 135 10.280 -11.528 1.373 1.00 31.02 H new ATOM 0 HG3 ARG A 135 8.769 -10.871 0.774 1.00 31.02 H new ATOM 0 HD2 ARG A 135 7.741 -11.390 3.048 1.00 12.22 H new ATOM 0 HD3 ARG A 135 9.345 -11.817 3.610 1.00 12.22 H new ATOM 0 HE ARG A 135 9.506 -9.259 2.375 1.00 11.45 H new ATOM 0 HH11 ARG A 135 8.248 -10.787 5.268 1.00 63.43 H new ATOM 0 HH12 ARG A 135 8.248 -9.267 6.168 1.00 63.43 H new ATOM 0 HH21 ARG A 135 9.473 -7.402 3.508 1.00 72.00 H new ATOM 0 HH22 ARG A 135 8.930 -7.386 5.189 1.00 72.00 H new