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 130 SER OG : rot 180:sc= 0.685 USER MOD Set 1.2: A 134 GLN : amide:sc= 0.842 K(o=1.5,f=0.6) USER MOD Set 2.1: A 45 CYS SG : rot 174:sc= 2.02 USER MOD Set 2.2: A 72 TYR OH : rot 112:sc= 0.147 USER MOD Set 3.1: A 61 GLN : amide:sc= -0.986 X(o=-0.17,f=-0.64) USER MOD Set 3.2: A 65 THR OG1 : rot 129:sc= 0.82 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.0111 (180deg=-0.126) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= -0.0764 (180deg=-0.392) USER MOD Single : A 50 SER OG : rot -45:sc= 0.983 USER MOD Single : A 51 SER OG : rot 81:sc= 0.00503 USER MOD Single : A 54 THR OG1 : rot -37:sc= 1.17 USER MOD Single : A 59 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.7) USER MOD Single : A 60 SER OG : rot 180:sc= -0.124 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.45! K(o=-2.4!,f=-1.1) USER MOD Single : A 73 CYS SG : rot 80:sc= 0.433 USER MOD Single : A 74 SER OG : rot -20:sc= 0.419 USER MOD Single : A 76 TYR OH : rot -140:sc= -0.229 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.2) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.298 K(o=0.3,f=-3.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 63:sc= 1.07 USER MOD Single : A 95 LYS NZ :NH3+ 169:sc=-0.00396 (180deg=-0.137) USER MOD Single : A 99 SER OG : rot 11:sc= -0.181 USER MOD Single : A 101 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.6) USER MOD Single : A 104 GLN : amide:sc= 0.0621 X(o=0.062,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -80:sc= 0.745 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -5.37! C(o=-5.4!,f=-6.9!) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 121 ASN : amide:sc= -2.87! C(o=-2.9!,f=-2.6!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 CYS SG : rot 74:sc= -1.93! USER MOD Single : A 127 GLN : amide:sc= -0.0974 K(o=-0.097,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -6.985 -11.805 -11.823 1.00 61.41 N ATOM 529 CA LYS A 36 -6.384 -10.721 -12.609 1.00 15.30 C ATOM 530 C LYS A 36 -5.256 -10.042 -11.807 1.00 52.35 C ATOM 531 O LYS A 36 -4.243 -9.623 -12.368 1.00 43.54 O ATOM 532 CB LYS A 36 -7.482 -9.704 -13.008 1.00 71.12 C ATOM 533 CG LYS A 36 -7.040 -8.580 -13.960 1.00 70.14 C ATOM 534 CD LYS A 36 -6.299 -7.449 -13.242 1.00 45.10 C ATOM 535 CE LYS A 36 -5.999 -6.279 -14.173 1.00 5.41 C ATOM 536 NZ LYS A 36 -5.234 -6.700 -15.377 1.00 63.52 N ATOM 0 HA LYS A 36 -5.943 -11.129 -13.518 1.00 15.30 H new ATOM 0 HB2 LYS A 36 -8.302 -10.249 -13.476 1.00 71.12 H new ATOM 0 HB3 LYS A 36 -7.878 -9.250 -12.099 1.00 71.12 H new ATOM 0 HG2 LYS A 36 -6.394 -8.998 -14.732 1.00 70.14 H new ATOM 0 HG3 LYS A 36 -7.916 -8.171 -14.463 1.00 70.14 H new ATOM 0 HD2 LYS A 36 -6.899 -7.099 -12.402 1.00 45.10 H new ATOM 0 HD3 LYS A 36 -5.366 -7.832 -12.829 1.00 45.10 H new ATOM 0 HE2 LYS A 36 -6.935 -5.815 -14.484 1.00 5.41 H new ATOM 0 HE3 LYS A 36 -5.432 -5.522 -13.631 1.00 5.41 H new ATOM 0 HZ1 LYS A 36 -4.922 -5.858 -15.902 1.00 63.52 H new ATOM 0 HZ2 LYS A 36 -4.404 -7.254 -15.085 1.00 63.52 H new ATOM 0 HZ3 LYS A 36 -5.841 -7.283 -15.988 1.00 63.52 H new ATOM 550 N ILE A 37 -5.442 -9.942 -10.490 1.00 5.03 N ATOM 551 CA ILE A 37 -4.441 -9.332 -9.611 1.00 25.32 C ATOM 552 C ILE A 37 -3.236 -10.267 -9.410 1.00 71.32 C ATOM 553 O ILE A 37 -3.124 -10.954 -8.393 1.00 61.15 O ATOM 554 CB ILE A 37 -5.038 -8.967 -8.222 1.00 60.12 C ATOM 555 CG1 ILE A 37 -6.355 -8.181 -8.372 1.00 50.43 C ATOM 556 CG2 ILE A 37 -4.027 -8.167 -7.397 1.00 32.54 C ATOM 557 CD1 ILE A 37 -6.234 -6.904 -9.175 1.00 4.14 C ATOM 0 H ILE A 37 -6.277 -10.275 -10.008 1.00 5.03 H new ATOM 0 HA ILE A 37 -4.112 -8.416 -10.103 1.00 25.32 H new ATOM 0 HB ILE A 37 -5.259 -9.896 -7.696 1.00 60.12 H new ATOM 0 HG12 ILE A 37 -7.096 -8.825 -8.846 1.00 50.43 H new ATOM 0 HG13 ILE A 37 -6.733 -7.937 -7.379 1.00 50.43 H new ATOM 0 HG21 ILE A 37 -4.462 -7.920 -6.428 1.00 32.54 H new ATOM 0 HG22 ILE A 37 -3.126 -8.762 -7.249 1.00 32.54 H new ATOM 0 HG23 ILE A 37 -3.772 -7.248 -7.925 1.00 32.54 H new ATOM 0 HD11 ILE A 37 -7.207 -6.415 -9.230 1.00 4.14 H new ATOM 0 HD12 ILE A 37 -5.520 -6.237 -8.692 1.00 4.14 H new ATOM 0 HD13 ILE A 37 -5.888 -7.139 -10.182 1.00 4.14 H new ATOM 569 N SER A 38 -2.356 -10.320 -10.403 1.00 22.04 N ATOM 570 CA SER A 38 -1.122 -11.111 -10.303 1.00 24.11 C ATOM 571 C SER A 38 -0.064 -10.376 -9.468 1.00 24.21 C ATOM 572 O SER A 38 -0.157 -9.161 -9.266 1.00 4.33 O ATOM 573 CB SER A 38 -0.559 -11.411 -11.702 1.00 72.13 C ATOM 574 OG SER A 38 -1.509 -12.085 -12.514 1.00 22.35 O ATOM 0 H SER A 38 -2.468 -9.827 -11.289 1.00 22.04 H new ATOM 0 HA SER A 38 -1.368 -12.050 -9.807 1.00 24.11 H new ATOM 0 HB2 SER A 38 -0.264 -10.479 -12.184 1.00 72.13 H new ATOM 0 HB3 SER A 38 0.340 -12.021 -11.610 1.00 72.13 H new ATOM 0 HG SER A 38 -1.120 -12.259 -13.397 1.00 22.35 H new ATOM 580 N LYS A 39 0.945 -11.113 -8.997 1.00 12.32 N ATOM 581 CA LYS A 39 2.040 -10.528 -8.207 1.00 10.43 C ATOM 582 C LYS A 39 2.640 -9.293 -8.899 1.00 40.44 C ATOM 583 O LYS A 39 2.764 -8.229 -8.290 1.00 52.51 O ATOM 584 CB LYS A 39 3.132 -11.583 -7.955 1.00 44.43 C ATOM 585 CG LYS A 39 4.454 -11.013 -7.443 1.00 32.12 C ATOM 586 CD LYS A 39 5.469 -12.115 -7.136 1.00 44.53 C ATOM 587 CE LYS A 39 6.884 -11.560 -6.999 1.00 3.32 C ATOM 588 NZ LYS A 39 7.388 -11.011 -8.288 1.00 63.11 N ATOM 0 H LYS A 39 1.030 -12.118 -9.148 1.00 12.32 H new ATOM 0 HA LYS A 39 1.627 -10.203 -7.252 1.00 10.43 H new ATOM 0 HB2 LYS A 39 2.759 -12.309 -7.232 1.00 44.43 H new ATOM 0 HB3 LYS A 39 3.319 -12.124 -8.883 1.00 44.43 H new ATOM 0 HG2 LYS A 39 4.869 -10.334 -8.188 1.00 32.12 H new ATOM 0 HG3 LYS A 39 4.272 -10.426 -6.543 1.00 32.12 H new ATOM 0 HD2 LYS A 39 5.187 -12.622 -6.214 1.00 44.53 H new ATOM 0 HD3 LYS A 39 5.447 -12.861 -7.930 1.00 44.53 H new ATOM 0 HE2 LYS A 39 6.896 -10.777 -6.241 1.00 3.32 H new ATOM 0 HE3 LYS A 39 7.552 -12.349 -6.653 1.00 3.32 H new ATOM 0 HZ1 LYS A 39 8.256 -11.513 -8.563 1.00 63.11 H new ATOM 0 HZ2 LYS A 39 6.666 -11.138 -9.025 1.00 63.11 H new ATOM 0 HZ3 LYS A 39 7.595 -9.998 -8.177 1.00 63.11 H new ATOM 602 N GLU A 40 2.994 -9.440 -10.175 1.00 73.20 N ATOM 603 CA GLU A 40 3.545 -8.330 -10.958 1.00 25.21 C ATOM 604 C GLU A 40 2.570 -7.139 -11.001 1.00 13.20 C ATOM 605 O GLU A 40 2.969 -5.994 -10.802 1.00 41.31 O ATOM 606 CB GLU A 40 3.877 -8.797 -12.384 1.00 22.25 C ATOM 607 CG GLU A 40 2.667 -9.285 -13.176 1.00 70.50 C ATOM 608 CD GLU A 40 3.034 -9.768 -14.568 1.00 63.22 C ATOM 609 OE1 GLU A 40 3.236 -8.923 -15.466 1.00 45.44 O ATOM 610 OE2 GLU A 40 3.134 -10.996 -14.767 1.00 31.21 O ATOM 0 H GLU A 40 2.910 -10.316 -10.690 1.00 73.20 H new ATOM 0 HA GLU A 40 4.462 -7.998 -10.471 1.00 25.21 H new ATOM 0 HB2 GLU A 40 4.344 -7.974 -12.925 1.00 22.25 H new ATOM 0 HB3 GLU A 40 4.611 -9.601 -12.330 1.00 22.25 H new ATOM 0 HG2 GLU A 40 2.184 -10.095 -12.630 1.00 70.50 H new ATOM 0 HG3 GLU A 40 1.940 -8.477 -13.256 1.00 70.50 H new ATOM 617 N ALA A 41 1.284 -7.422 -11.232 1.00 12.44 N ATOM 618 CA ALA A 41 0.259 -6.376 -11.315 1.00 74.13 C ATOM 619 C ALA A 41 0.212 -5.527 -10.037 1.00 31.41 C ATOM 620 O ALA A 41 0.114 -4.297 -10.091 1.00 65.04 O ATOM 621 CB ALA A 41 -1.108 -7.002 -11.589 1.00 54.10 C ATOM 0 H ALA A 41 0.927 -8.368 -11.365 1.00 12.44 H new ATOM 0 HA ALA A 41 0.522 -5.714 -12.140 1.00 74.13 H new ATOM 0 HB1 ALA A 41 -1.862 -6.217 -11.649 1.00 54.10 H new ATOM 0 HB2 ALA A 41 -1.076 -7.547 -12.532 1.00 54.10 H new ATOM 0 HB3 ALA A 41 -1.362 -7.689 -10.782 1.00 54.10 H new ATOM 627 N LEU A 42 0.295 -6.192 -8.888 1.00 74.14 N ATOM 628 CA LEU A 42 0.297 -5.508 -7.594 1.00 15.42 C ATOM 629 C LEU A 42 1.582 -4.675 -7.426 1.00 31.12 C ATOM 630 O LEU A 42 1.525 -3.502 -7.059 1.00 4.44 O ATOM 631 CB LEU A 42 0.150 -6.540 -6.455 1.00 11.05 C ATOM 632 CG LEU A 42 -0.174 -5.976 -5.048 1.00 34.25 C ATOM 633 CD1 LEU A 42 -0.730 -7.075 -4.147 1.00 44.01 C ATOM 634 CD2 LEU A 42 1.056 -5.341 -4.395 1.00 50.22 C ATOM 0 H LEU A 42 0.362 -7.208 -8.825 1.00 74.14 H new ATOM 0 HA LEU A 42 -0.551 -4.824 -7.551 1.00 15.42 H new ATOM 0 HB2 LEU A 42 -0.637 -7.242 -6.730 1.00 11.05 H new ATOM 0 HB3 LEU A 42 1.077 -7.110 -6.389 1.00 11.05 H new ATOM 0 HG LEU A 42 -0.927 -5.199 -5.175 1.00 34.25 H new ATOM 0 HD11 LEU A 42 -0.952 -6.661 -3.163 1.00 44.01 H new ATOM 0 HD12 LEU A 42 -1.643 -7.478 -4.586 1.00 44.01 H new ATOM 0 HD13 LEU A 42 0.007 -7.872 -4.048 1.00 44.01 H new ATOM 0 HD21 LEU A 42 0.788 -4.957 -3.411 1.00 50.22 H new ATOM 0 HD22 LEU A 42 1.841 -6.090 -4.291 1.00 50.22 H new ATOM 0 HD23 LEU A 42 1.417 -4.522 -5.018 1.00 50.22 H new ATOM 646 N LEU A 43 2.733 -5.287 -7.714 1.00 33.43 N ATOM 647 CA LEU A 43 4.033 -4.612 -7.572 1.00 74.15 C ATOM 648 C LEU A 43 4.135 -3.364 -8.463 1.00 1.12 C ATOM 649 O LEU A 43 4.650 -2.331 -8.038 1.00 13.31 O ATOM 650 CB LEU A 43 5.178 -5.581 -7.899 1.00 42.32 C ATOM 651 CG LEU A 43 5.289 -6.808 -6.978 1.00 54.34 C ATOM 652 CD1 LEU A 43 6.444 -7.705 -7.415 1.00 64.42 C ATOM 653 CD2 LEU A 43 5.454 -6.382 -5.518 1.00 41.22 C ATOM 0 H LEU A 43 2.795 -6.249 -8.047 1.00 33.43 H new ATOM 0 HA LEU A 43 4.116 -4.288 -6.535 1.00 74.15 H new ATOM 0 HB2 LEU A 43 5.055 -5.928 -8.925 1.00 42.32 H new ATOM 0 HB3 LEU A 43 6.119 -5.032 -7.859 1.00 42.32 H new ATOM 0 HG LEU A 43 4.364 -7.378 -7.059 1.00 54.34 H new ATOM 0 HD11 LEU A 43 6.506 -8.567 -6.751 1.00 64.42 H new ATOM 0 HD12 LEU A 43 6.274 -8.045 -8.437 1.00 64.42 H new ATOM 0 HD13 LEU A 43 7.378 -7.144 -7.370 1.00 64.42 H new ATOM 0 HD21 LEU A 43 5.530 -7.268 -4.887 1.00 41.22 H new ATOM 0 HD22 LEU A 43 6.359 -5.783 -5.414 1.00 41.22 H new ATOM 0 HD23 LEU A 43 4.591 -5.791 -5.212 1.00 41.22 H new ATOM 665 N GLU A 44 3.648 -3.466 -9.698 1.00 33.20 N ATOM 666 CA GLU A 44 3.658 -2.330 -10.629 1.00 14.23 C ATOM 667 C GLU A 44 2.760 -1.189 -10.121 1.00 22.43 C ATOM 668 O GLU A 44 3.166 -0.024 -10.101 1.00 15.54 O ATOM 669 CB GLU A 44 3.204 -2.775 -12.028 1.00 0.35 C ATOM 670 CG GLU A 44 4.083 -3.857 -12.652 1.00 34.32 C ATOM 671 CD GLU A 44 5.526 -3.417 -12.855 1.00 34.12 C ATOM 672 OE1 GLU A 44 5.822 -2.804 -13.903 1.00 73.50 O ATOM 673 OE2 GLU A 44 6.370 -3.695 -11.974 1.00 45.10 O ATOM 0 H GLU A 44 3.242 -4.320 -10.080 1.00 33.20 H new ATOM 0 HA GLU A 44 4.681 -1.959 -10.691 1.00 14.23 H new ATOM 0 HB2 GLU A 44 2.180 -3.144 -11.966 1.00 0.35 H new ATOM 0 HB3 GLU A 44 3.191 -1.907 -12.687 1.00 0.35 H new ATOM 0 HG2 GLU A 44 4.066 -4.741 -12.015 1.00 34.32 H new ATOM 0 HG3 GLU A 44 3.661 -4.149 -13.614 1.00 34.32 H new ATOM 680 N CYS A 45 1.538 -1.529 -9.703 1.00 71.13 N ATOM 681 CA CYS A 45 0.610 -0.533 -9.149 1.00 62.43 C ATOM 682 C CYS A 45 1.176 0.111 -7.873 1.00 41.44 C ATOM 683 O CYS A 45 1.058 1.318 -7.672 1.00 65.21 O ATOM 684 CB CYS A 45 -0.754 -1.170 -8.850 1.00 24.25 C ATOM 685 SG CYS A 45 -1.636 -1.755 -10.316 1.00 2.43 S ATOM 0 H CYS A 45 1.168 -2.479 -9.736 1.00 71.13 H new ATOM 0 HA CYS A 45 0.482 0.247 -9.899 1.00 62.43 H new ATOM 0 HB2 CYS A 45 -0.609 -2.008 -8.168 1.00 24.25 H new ATOM 0 HB3 CYS A 45 -1.377 -0.441 -8.332 1.00 24.25 H new ATOM 0 HG CYS A 45 -2.708 -2.394 -9.951 1.00 2.43 H new ATOM 691 N ALA A 46 1.794 -0.704 -7.019 1.00 44.24 N ATOM 692 CA ALA A 46 2.404 -0.215 -5.775 1.00 63.54 C ATOM 693 C ALA A 46 3.647 0.646 -6.053 1.00 41.41 C ATOM 694 O ALA A 46 3.902 1.633 -5.357 1.00 74.13 O ATOM 695 CB ALA A 46 2.761 -1.390 -4.871 1.00 60.53 C ATOM 0 H ALA A 46 1.888 -1.709 -7.163 1.00 44.24 H new ATOM 0 HA ALA A 46 1.674 0.417 -5.269 1.00 63.54 H new ATOM 0 HB1 ALA A 46 3.213 -1.018 -3.951 1.00 60.53 H new ATOM 0 HB2 ALA A 46 1.858 -1.951 -4.630 1.00 60.53 H new ATOM 0 HB3 ALA A 46 3.468 -2.042 -5.384 1.00 60.53 H new ATOM 701 N ASP A 47 4.416 0.267 -7.075 1.00 54.33 N ATOM 702 CA ASP A 47 5.610 1.021 -7.469 1.00 72.04 C ATOM 703 C ASP A 47 5.244 2.473 -7.824 1.00 33.20 C ATOM 704 O ASP A 47 5.987 3.407 -7.512 1.00 25.13 O ATOM 705 CB ASP A 47 6.301 0.338 -8.658 1.00 4.24 C ATOM 706 CG ASP A 47 7.668 0.934 -8.959 1.00 4.23 C ATOM 707 OD1 ASP A 47 8.647 0.558 -8.277 1.00 3.22 O ATOM 708 OD2 ASP A 47 7.770 1.784 -9.868 1.00 34.10 O ATOM 0 H ASP A 47 4.234 -0.558 -7.646 1.00 54.33 H new ATOM 0 HA ASP A 47 6.300 1.039 -6.625 1.00 72.04 H new ATOM 0 HB2 ASP A 47 6.410 -0.726 -8.448 1.00 4.24 H new ATOM 0 HB3 ASP A 47 5.668 0.425 -9.541 1.00 4.24 H new ATOM 713 N LEU A 48 4.080 2.648 -8.457 1.00 0.33 N ATOM 714 CA LEU A 48 3.558 3.982 -8.783 1.00 54.24 C ATOM 715 C LEU A 48 3.506 4.889 -7.543 1.00 3.15 C ATOM 716 O LEU A 48 3.893 6.053 -7.604 1.00 53.33 O ATOM 717 CB LEU A 48 2.155 3.871 -9.403 1.00 73.53 C ATOM 718 CG LEU A 48 2.093 3.175 -10.772 1.00 75.55 C ATOM 719 CD1 LEU A 48 0.647 3.046 -11.252 1.00 24.20 C ATOM 720 CD2 LEU A 48 2.939 3.932 -11.792 1.00 42.13 C ATOM 0 H LEU A 48 3.478 1.880 -8.755 1.00 0.33 H new ATOM 0 HA LEU A 48 4.240 4.432 -9.505 1.00 54.24 H new ATOM 0 HB2 LEU A 48 1.512 3.330 -8.710 1.00 73.53 H new ATOM 0 HB3 LEU A 48 1.741 4.874 -9.505 1.00 73.53 H new ATOM 0 HG LEU A 48 2.501 2.170 -10.666 1.00 75.55 H new ATOM 0 HD11 LEU A 48 0.629 2.550 -12.223 1.00 24.20 H new ATOM 0 HD12 LEU A 48 0.076 2.458 -10.533 1.00 24.20 H new ATOM 0 HD13 LEU A 48 0.204 4.038 -11.343 1.00 24.20 H new ATOM 0 HD21 LEU A 48 2.885 3.427 -12.756 1.00 42.13 H new ATOM 0 HD22 LEU A 48 2.562 4.950 -11.894 1.00 42.13 H new ATOM 0 HD23 LEU A 48 3.975 3.961 -11.455 1.00 42.13 H new ATOM 732 N LEU A 49 3.037 4.345 -6.419 1.00 22.45 N ATOM 733 CA LEU A 49 2.956 5.109 -5.164 1.00 23.33 C ATOM 734 C LEU A 49 4.341 5.609 -4.726 1.00 2.43 C ATOM 735 O LEU A 49 4.536 6.803 -4.509 1.00 70.40 O ATOM 736 CB LEU A 49 2.326 4.267 -4.037 1.00 64.23 C ATOM 737 CG LEU A 49 0.804 4.048 -4.128 1.00 35.12 C ATOM 738 CD1 LEU A 49 0.432 3.260 -5.380 1.00 53.53 C ATOM 739 CD2 LEU A 49 0.281 3.346 -2.873 1.00 2.02 C ATOM 0 H LEU A 49 2.708 3.382 -6.347 1.00 22.45 H new ATOM 0 HA LEU A 49 2.317 5.972 -5.354 1.00 23.33 H new ATOM 0 HB2 LEU A 49 2.813 3.292 -4.023 1.00 64.23 H new ATOM 0 HB3 LEU A 49 2.548 4.748 -3.084 1.00 64.23 H new ATOM 0 HG LEU A 49 0.331 5.028 -4.197 1.00 35.12 H new ATOM 0 HD11 LEU A 49 -0.649 3.122 -5.415 1.00 53.53 H new ATOM 0 HD12 LEU A 49 0.757 3.808 -6.265 1.00 53.53 H new ATOM 0 HD13 LEU A 49 0.922 2.286 -5.356 1.00 53.53 H new ATOM 0 HD21 LEU A 49 -0.796 3.202 -2.959 1.00 2.02 H new ATOM 0 HD22 LEU A 49 0.770 2.377 -2.767 1.00 2.02 H new ATOM 0 HD23 LEU A 49 0.496 3.958 -1.997 1.00 2.02 H new ATOM 751 N SER A 50 5.300 4.691 -4.609 1.00 4.33 N ATOM 752 CA SER A 50 6.668 5.049 -4.188 1.00 24.20 C ATOM 753 C SER A 50 7.263 6.140 -5.093 1.00 24.24 C ATOM 754 O SER A 50 7.743 7.170 -4.614 1.00 41.12 O ATOM 755 CB SER A 50 7.585 3.817 -4.193 1.00 41.42 C ATOM 756 OG SER A 50 7.790 3.321 -5.508 1.00 35.34 O ATOM 0 H SER A 50 5.163 3.698 -4.797 1.00 4.33 H new ATOM 0 HA SER A 50 6.602 5.437 -3.172 1.00 24.20 H new ATOM 0 HB2 SER A 50 8.546 4.076 -3.748 1.00 41.42 H new ATOM 0 HB3 SER A 50 7.147 3.035 -3.573 1.00 41.42 H new ATOM 0 HG SER A 50 6.934 3.295 -5.985 1.00 35.34 H new ATOM 762 N SER A 51 7.210 5.915 -6.405 1.00 2.21 N ATOM 763 CA SER A 51 7.698 6.896 -7.385 1.00 31.15 C ATOM 764 C SER A 51 6.953 8.234 -7.262 1.00 51.05 C ATOM 765 O SER A 51 7.563 9.303 -7.276 1.00 33.33 O ATOM 766 CB SER A 51 7.560 6.342 -8.811 1.00 13.24 C ATOM 767 OG SER A 51 8.325 5.155 -8.974 1.00 3.13 O ATOM 0 H SER A 51 6.834 5.062 -6.819 1.00 2.21 H new ATOM 0 HA SER A 51 8.752 7.079 -7.174 1.00 31.15 H new ATOM 0 HB2 SER A 51 6.511 6.135 -9.024 1.00 13.24 H new ATOM 0 HB3 SER A 51 7.889 7.092 -9.530 1.00 13.24 H new ATOM 0 HG SER A 51 7.828 4.393 -8.610 1.00 3.13 H new ATOM 773 N ALA A 52 5.635 8.165 -7.112 1.00 43.22 N ATOM 774 CA ALA A 52 4.800 9.365 -6.986 1.00 62.44 C ATOM 775 C ALA A 52 5.058 10.114 -5.666 1.00 34.52 C ATOM 776 O ALA A 52 4.776 11.302 -5.557 1.00 53.44 O ATOM 777 CB ALA A 52 3.328 8.992 -7.107 1.00 52.03 C ATOM 0 H ALA A 52 5.115 7.288 -7.074 1.00 43.22 H new ATOM 0 HA ALA A 52 5.069 10.041 -7.798 1.00 62.44 H new ATOM 0 HB1 ALA A 52 2.716 9.889 -7.012 1.00 52.03 H new ATOM 0 HB2 ALA A 52 3.148 8.531 -8.078 1.00 52.03 H new ATOM 0 HB3 ALA A 52 3.065 8.288 -6.317 1.00 52.03 H new ATOM 783 N LEU A 53 5.582 9.408 -4.664 1.00 51.14 N ATOM 784 CA LEU A 53 5.931 10.030 -3.376 1.00 13.04 C ATOM 785 C LEU A 53 7.320 10.687 -3.424 1.00 35.32 C ATOM 786 O LEU A 53 7.575 11.672 -2.729 1.00 11.15 O ATOM 787 CB LEU A 53 5.875 8.988 -2.251 1.00 12.42 C ATOM 788 CG LEU A 53 4.464 8.485 -1.894 1.00 62.02 C ATOM 789 CD1 LEU A 53 4.537 7.310 -0.926 1.00 51.43 C ATOM 790 CD2 LEU A 53 3.623 9.616 -1.307 1.00 52.33 C ATOM 0 H LEU A 53 5.776 8.408 -4.714 1.00 51.14 H new ATOM 0 HA LEU A 53 5.200 10.813 -3.175 1.00 13.04 H new ATOM 0 HB2 LEU A 53 6.486 8.133 -2.539 1.00 12.42 H new ATOM 0 HB3 LEU A 53 6.328 9.417 -1.357 1.00 12.42 H new ATOM 0 HG LEU A 53 3.984 8.140 -2.810 1.00 62.02 H new ATOM 0 HD11 LEU A 53 3.529 6.971 -0.688 1.00 51.43 H new ATOM 0 HD12 LEU A 53 5.095 6.494 -1.386 1.00 51.43 H new ATOM 0 HD13 LEU A 53 5.040 7.623 -0.011 1.00 51.43 H new ATOM 0 HD21 LEU A 53 2.630 9.241 -1.061 1.00 52.33 H new ATOM 0 HD22 LEU A 53 4.102 9.994 -0.404 1.00 52.33 H new ATOM 0 HD23 LEU A 53 3.536 10.421 -2.036 1.00 52.33 H new ATOM 802 N THR A 54 8.221 10.134 -4.236 1.00 2.22 N ATOM 803 CA THR A 54 9.565 10.712 -4.398 1.00 51.13 C ATOM 804 C THR A 54 9.527 12.020 -5.206 1.00 74.43 C ATOM 805 O THR A 54 10.408 12.872 -5.068 1.00 74.22 O ATOM 806 CB THR A 54 10.549 9.725 -5.081 1.00 45.21 C ATOM 807 OG1 THR A 54 10.090 9.373 -6.398 1.00 51.54 O ATOM 808 CG2 THR A 54 10.718 8.459 -4.248 1.00 14.10 C ATOM 0 H THR A 54 8.052 9.294 -4.789 1.00 2.22 H new ATOM 0 HA THR A 54 9.923 10.922 -3.390 1.00 51.13 H new ATOM 0 HB THR A 54 11.513 10.227 -5.162 1.00 45.21 H new ATOM 0 HG1 THR A 54 9.113 9.294 -6.394 1.00 51.54 H new ATOM 0 HG21 THR A 54 11.412 7.784 -4.749 1.00 14.10 H new ATOM 0 HG22 THR A 54 11.110 8.720 -3.265 1.00 14.10 H new ATOM 0 HG23 THR A 54 9.752 7.967 -4.134 1.00 14.10 H new ATOM 816 N GLU A 55 8.505 12.171 -6.045 1.00 71.14 N ATOM 817 CA GLU A 55 8.313 13.396 -6.834 1.00 41.13 C ATOM 818 C GLU A 55 7.076 14.173 -6.343 1.00 0.31 C ATOM 819 O GLU A 55 6.160 13.584 -5.773 1.00 13.14 O ATOM 820 CB GLU A 55 8.160 13.056 -8.327 1.00 42.23 C ATOM 821 CG GLU A 55 6.973 12.151 -8.634 1.00 22.01 C ATOM 822 CD GLU A 55 6.778 11.924 -10.125 1.00 61.43 C ATOM 823 OE1 GLU A 55 7.402 10.993 -10.683 1.00 43.03 O ATOM 824 OE2 GLU A 55 6.005 12.682 -10.748 1.00 41.24 O ATOM 0 H GLU A 55 7.791 11.459 -6.200 1.00 71.14 H new ATOM 0 HA GLU A 55 9.194 14.024 -6.703 1.00 41.13 H new ATOM 0 HB2 GLU A 55 8.054 13.982 -8.892 1.00 42.23 H new ATOM 0 HB3 GLU A 55 9.073 12.573 -8.675 1.00 42.23 H new ATOM 0 HG2 GLU A 55 7.117 11.190 -8.140 1.00 22.01 H new ATOM 0 HG3 GLU A 55 6.068 12.592 -8.216 1.00 22.01 H new ATOM 831 N PRO A 56 7.029 15.506 -6.541 1.00 51.11 N ATOM 832 CA PRO A 56 5.866 16.307 -6.119 1.00 31.01 C ATOM 833 C PRO A 56 4.624 16.061 -7.000 1.00 61.23 C ATOM 834 O PRO A 56 4.656 16.266 -8.217 1.00 43.23 O ATOM 835 CB PRO A 56 6.371 17.752 -6.269 1.00 70.11 C ATOM 836 CG PRO A 56 7.427 17.679 -7.323 1.00 0.35 C ATOM 837 CD PRO A 56 8.084 16.331 -7.163 1.00 34.40 C ATOM 0 HA PRO A 56 5.536 16.057 -5.111 1.00 31.01 H new ATOM 0 HB2 PRO A 56 5.565 18.424 -6.562 1.00 70.11 H new ATOM 0 HB3 PRO A 56 6.775 18.130 -5.330 1.00 70.11 H new ATOM 0 HG2 PRO A 56 6.993 17.786 -8.317 1.00 0.35 H new ATOM 0 HG3 PRO A 56 8.153 18.483 -7.204 1.00 0.35 H new ATOM 0 HD2 PRO A 56 8.400 15.922 -8.123 1.00 34.40 H new ATOM 0 HD3 PRO A 56 8.972 16.389 -6.533 1.00 34.40 H new ATOM 845 N VAL A 57 3.529 15.631 -6.370 1.00 23.32 N ATOM 846 CA VAL A 57 2.265 15.359 -7.071 1.00 31.25 C ATOM 847 C VAL A 57 1.056 15.784 -6.212 1.00 71.44 C ATOM 848 O VAL A 57 1.182 15.944 -4.997 1.00 70.10 O ATOM 849 CB VAL A 57 2.129 13.851 -7.433 1.00 73.02 C ATOM 850 CG1 VAL A 57 3.213 13.423 -8.425 1.00 4.11 C ATOM 851 CG2 VAL A 57 2.174 12.990 -6.172 1.00 53.44 C ATOM 0 H VAL A 57 3.489 15.461 -5.365 1.00 23.32 H new ATOM 0 HA VAL A 57 2.278 15.943 -7.991 1.00 31.25 H new ATOM 0 HB VAL A 57 1.162 13.704 -7.913 1.00 73.02 H new ATOM 0 HG11 VAL A 57 3.094 12.365 -8.660 1.00 4.11 H new ATOM 0 HG12 VAL A 57 3.122 14.010 -9.339 1.00 4.11 H new ATOM 0 HG13 VAL A 57 4.196 13.588 -7.984 1.00 4.11 H new ATOM 0 HG21 VAL A 57 2.077 11.939 -6.445 1.00 53.44 H new ATOM 0 HG22 VAL A 57 3.123 13.146 -5.659 1.00 53.44 H new ATOM 0 HG23 VAL A 57 1.354 13.270 -5.511 1.00 53.44 H new ATOM 861 N PRO A 58 -0.130 15.986 -6.825 1.00 14.02 N ATOM 862 CA PRO A 58 -1.361 16.309 -6.077 1.00 5.11 C ATOM 863 C PRO A 58 -1.734 15.234 -5.034 1.00 62.54 C ATOM 864 O PRO A 58 -1.782 14.039 -5.343 1.00 64.41 O ATOM 865 CB PRO A 58 -2.439 16.398 -7.176 1.00 43.22 C ATOM 866 CG PRO A 58 -1.850 15.705 -8.362 1.00 41.35 C ATOM 867 CD PRO A 58 -0.370 15.943 -8.280 1.00 2.54 C ATOM 0 HA PRO A 58 -1.247 17.225 -5.497 1.00 5.11 H new ATOM 0 HB2 PRO A 58 -3.365 15.917 -6.859 1.00 43.22 H new ATOM 0 HB3 PRO A 58 -2.681 17.435 -7.407 1.00 43.22 H new ATOM 0 HG2 PRO A 58 -2.076 14.639 -8.345 1.00 41.35 H new ATOM 0 HG3 PRO A 58 -2.259 16.103 -9.291 1.00 41.35 H new ATOM 0 HD2 PRO A 58 0.196 15.145 -8.761 1.00 2.54 H new ATOM 0 HD3 PRO A 58 -0.082 16.875 -8.766 1.00 2.54 H new ATOM 875 N ASN A 59 -2.019 15.668 -3.801 1.00 34.53 N ATOM 876 CA ASN A 59 -2.393 14.744 -2.720 1.00 63.15 C ATOM 877 C ASN A 59 -3.659 13.940 -3.069 1.00 4.24 C ATOM 878 O ASN A 59 -3.820 12.799 -2.628 1.00 65.14 O ATOM 879 CB ASN A 59 -2.590 15.509 -1.406 1.00 44.35 C ATOM 880 CG ASN A 59 -1.287 16.093 -0.884 1.00 44.25 C ATOM 881 OD1 ASN A 59 -0.927 17.226 -1.182 1.00 31.11 O ATOM 882 ND2 ASN A 59 -0.559 15.314 -0.107 1.00 25.43 N ATOM 0 H ASN A 59 -1.998 16.650 -3.526 1.00 34.53 H new ATOM 0 HA ASN A 59 -1.576 14.034 -2.597 1.00 63.15 H new ATOM 0 HB2 ASN A 59 -3.311 16.312 -1.559 1.00 44.35 H new ATOM 0 HB3 ASN A 59 -3.013 14.839 -0.657 1.00 44.35 H new ATOM 0 HD21 ASN A 59 0.330 15.650 0.263 1.00 25.43 H new ATOM 0 HD22 ASN A 59 -0.885 14.375 0.124 1.00 25.43 H new ATOM 889 N SER A 60 -4.547 14.535 -3.865 1.00 12.31 N ATOM 890 CA SER A 60 -5.730 13.828 -4.383 1.00 54.01 C ATOM 891 C SER A 60 -5.323 12.545 -5.118 1.00 61.13 C ATOM 892 O SER A 60 -5.903 11.479 -4.900 1.00 42.51 O ATOM 893 CB SER A 60 -6.517 14.724 -5.345 1.00 34.13 C ATOM 894 OG SER A 60 -5.744 15.050 -6.493 1.00 12.54 O ATOM 0 H SER A 60 -4.474 15.506 -4.169 1.00 12.31 H new ATOM 0 HA SER A 60 -6.357 13.570 -3.530 1.00 54.01 H new ATOM 0 HB2 SER A 60 -7.432 14.217 -5.651 1.00 34.13 H new ATOM 0 HB3 SER A 60 -6.815 15.639 -4.832 1.00 34.13 H new ATOM 0 HG SER A 60 -6.271 15.621 -7.091 1.00 12.54 H new ATOM 900 N GLN A 61 -4.323 12.671 -5.993 1.00 3.44 N ATOM 901 CA GLN A 61 -3.773 11.532 -6.738 1.00 31.03 C ATOM 902 C GLN A 61 -3.241 10.458 -5.778 1.00 54.33 C ATOM 903 O GLN A 61 -3.571 9.283 -5.910 1.00 44.43 O ATOM 904 CB GLN A 61 -2.662 12.028 -7.689 1.00 32.51 C ATOM 905 CG GLN A 61 -2.062 10.964 -8.619 1.00 1.31 C ATOM 906 CD GLN A 61 -0.958 10.136 -7.972 1.00 44.31 C ATOM 907 OE1 GLN A 61 -1.203 9.083 -7.399 1.00 65.41 O ATOM 908 NE2 GLN A 61 0.268 10.609 -8.055 1.00 24.14 N ATOM 0 H GLN A 61 -3.872 13.561 -6.206 1.00 3.44 H new ATOM 0 HA GLN A 61 -4.566 11.076 -7.331 1.00 31.03 H new ATOM 0 HB2 GLN A 61 -3.066 12.834 -8.301 1.00 32.51 H new ATOM 0 HB3 GLN A 61 -1.859 12.455 -7.089 1.00 32.51 H new ATOM 0 HG2 GLN A 61 -2.856 10.296 -8.953 1.00 1.31 H new ATOM 0 HG3 GLN A 61 -1.663 11.454 -9.507 1.00 1.31 H new ATOM 0 HE21 GLN A 61 0.443 11.490 -8.539 1.00 24.14 H new ATOM 0 HE22 GLN A 61 1.043 10.095 -7.635 1.00 24.14 H new ATOM 917 N LEU A 62 -2.434 10.876 -4.803 1.00 65.12 N ATOM 918 CA LEU A 62 -1.859 9.947 -3.814 1.00 50.11 C ATOM 919 C LEU A 62 -2.947 9.112 -3.114 1.00 23.23 C ATOM 920 O LEU A 62 -2.828 7.892 -2.998 1.00 71.53 O ATOM 921 CB LEU A 62 -1.046 10.726 -2.773 1.00 15.51 C ATOM 922 CG LEU A 62 0.195 11.448 -3.324 1.00 62.34 C ATOM 923 CD1 LEU A 62 0.895 12.244 -2.226 1.00 74.23 C ATOM 924 CD2 LEU A 62 1.156 10.446 -3.963 1.00 24.33 C ATOM 0 H LEU A 62 -2.160 11.850 -4.672 1.00 65.12 H new ATOM 0 HA LEU A 62 -1.204 9.258 -4.348 1.00 50.11 H new ATOM 0 HB2 LEU A 62 -1.697 11.463 -2.303 1.00 15.51 H new ATOM 0 HB3 LEU A 62 -0.729 10.036 -1.991 1.00 15.51 H new ATOM 0 HG LEU A 62 -0.131 12.150 -4.091 1.00 62.34 H new ATOM 0 HD11 LEU A 62 1.769 12.745 -2.641 1.00 74.23 H new ATOM 0 HD12 LEU A 62 0.208 12.988 -1.822 1.00 74.23 H new ATOM 0 HD13 LEU A 62 1.208 11.568 -1.430 1.00 74.23 H new ATOM 0 HD21 LEU A 62 2.029 10.974 -4.348 1.00 24.33 H new ATOM 0 HD22 LEU A 62 1.472 9.718 -3.216 1.00 24.33 H new ATOM 0 HD23 LEU A 62 0.653 9.931 -4.782 1.00 24.33 H new ATOM 936 N VAL A 63 -4.009 9.776 -2.658 1.00 13.34 N ATOM 937 CA VAL A 63 -5.122 9.089 -1.993 1.00 13.03 C ATOM 938 C VAL A 63 -5.915 8.210 -2.982 1.00 3.10 C ATOM 939 O VAL A 63 -6.348 7.108 -2.642 1.00 22.33 O ATOM 940 CB VAL A 63 -6.080 10.103 -1.312 1.00 55.43 C ATOM 941 CG1 VAL A 63 -7.233 9.385 -0.606 1.00 41.43 C ATOM 942 CG2 VAL A 63 -5.313 10.992 -0.333 1.00 33.01 C ATOM 0 H VAL A 63 -4.124 10.786 -2.735 1.00 13.34 H new ATOM 0 HA VAL A 63 -4.687 8.446 -1.228 1.00 13.03 H new ATOM 0 HB VAL A 63 -6.508 10.737 -2.089 1.00 55.43 H new ATOM 0 HG11 VAL A 63 -7.888 10.120 -0.138 1.00 41.43 H new ATOM 0 HG12 VAL A 63 -7.800 8.805 -1.334 1.00 41.43 H new ATOM 0 HG13 VAL A 63 -6.833 8.718 0.157 1.00 41.43 H new ATOM 0 HG21 VAL A 63 -6.001 11.696 0.135 1.00 33.01 H new ATOM 0 HG22 VAL A 63 -4.850 10.372 0.435 1.00 33.01 H new ATOM 0 HG23 VAL A 63 -4.540 11.542 -0.870 1.00 33.01 H new ATOM 952 N ASP A 64 -6.081 8.696 -4.211 1.00 50.14 N ATOM 953 CA ASP A 64 -6.833 7.973 -5.246 1.00 60.11 C ATOM 954 C ASP A 64 -6.114 6.676 -5.659 1.00 40.42 C ATOM 955 O ASP A 64 -6.697 5.587 -5.630 1.00 12.43 O ATOM 956 CB ASP A 64 -7.026 8.885 -6.464 1.00 11.23 C ATOM 957 CG ASP A 64 -7.871 8.245 -7.550 1.00 44.11 C ATOM 958 OD1 ASP A 64 -9.115 8.349 -7.483 1.00 62.25 O ATOM 959 OD2 ASP A 64 -7.301 7.643 -8.483 1.00 32.11 O ATOM 0 H ASP A 64 -5.704 9.592 -4.520 1.00 50.14 H new ATOM 0 HA ASP A 64 -7.805 7.695 -4.838 1.00 60.11 H new ATOM 0 HB2 ASP A 64 -7.496 9.815 -6.145 1.00 11.23 H new ATOM 0 HB3 ASP A 64 -6.051 9.146 -6.875 1.00 11.23 H new ATOM 964 N THR A 65 -4.845 6.807 -6.035 1.00 4.22 N ATOM 965 CA THR A 65 -4.023 5.657 -6.431 1.00 30.21 C ATOM 966 C THR A 65 -3.714 4.753 -5.232 1.00 2.10 C ATOM 967 O THR A 65 -3.617 3.535 -5.368 1.00 72.34 O ATOM 968 CB THR A 65 -2.694 6.116 -7.085 1.00 55.20 C ATOM 969 OG1 THR A 65 -2.968 6.995 -8.187 1.00 60.32 O ATOM 970 CG2 THR A 65 -1.871 4.930 -7.584 1.00 34.13 C ATOM 0 H THR A 65 -4.357 7.702 -6.075 1.00 4.22 H new ATOM 0 HA THR A 65 -4.601 5.090 -7.161 1.00 30.21 H new ATOM 0 HB THR A 65 -2.117 6.638 -6.322 1.00 55.20 H new ATOM 0 HG1 THR A 65 -2.434 7.811 -8.095 1.00 60.32 H new ATOM 0 HG21 THR A 65 -0.948 5.292 -8.036 1.00 34.13 H new ATOM 0 HG22 THR A 65 -1.632 4.275 -6.746 1.00 34.13 H new ATOM 0 HG23 THR A 65 -2.445 4.376 -8.327 1.00 34.13 H new ATOM 978 N GLY A 66 -3.562 5.356 -4.058 1.00 23.21 N ATOM 979 CA GLY A 66 -3.360 4.583 -2.842 1.00 13.32 C ATOM 980 C GLY A 66 -4.578 3.743 -2.463 1.00 42.04 C ATOM 981 O GLY A 66 -4.442 2.602 -2.015 1.00 62.40 O ATOM 0 H GLY A 66 -3.575 6.367 -3.925 1.00 23.21 H new ATOM 0 HA2 GLY A 66 -2.499 3.927 -2.973 1.00 13.32 H new ATOM 0 HA3 GLY A 66 -3.123 5.261 -2.022 1.00 13.32 H new ATOM 985 N HIS A 67 -5.774 4.306 -2.649 1.00 75.51 N ATOM 986 CA HIS A 67 -7.022 3.621 -2.292 1.00 34.22 C ATOM 987 C HIS A 67 -7.244 2.350 -3.131 1.00 55.55 C ATOM 988 O HIS A 67 -7.678 1.328 -2.601 1.00 52.33 O ATOM 989 CB HIS A 67 -8.223 4.567 -2.451 1.00 0.21 C ATOM 990 CG HIS A 67 -9.520 3.980 -1.972 1.00 23.32 C ATOM 991 ND1 HIS A 67 -10.466 3.447 -2.819 1.00 45.32 N ATOM 992 CD2 HIS A 67 -10.023 3.836 -0.721 1.00 24.12 C ATOM 993 CE1 HIS A 67 -11.488 3.005 -2.117 1.00 54.30 C ATOM 994 NE2 HIS A 67 -11.245 3.228 -0.844 1.00 3.53 N ATOM 0 H HIS A 67 -5.906 5.236 -3.046 1.00 75.51 H new ATOM 0 HA HIS A 67 -6.934 3.321 -1.248 1.00 34.22 H new ATOM 0 HB2 HIS A 67 -8.025 5.487 -1.901 1.00 0.21 H new ATOM 0 HB3 HIS A 67 -8.323 4.839 -3.502 1.00 0.21 H new ATOM 0 HD2 HIS A 67 -9.549 4.143 0.200 1.00 24.12 H new ATOM 0 HE1 HIS A 67 -12.375 2.538 -2.518 1.00 54.30 H new ATOM 0 HE2 HIS A 67 -11.866 2.987 -0.072 1.00 3.53 H new ATOM 1003 N GLN A 68 -6.955 2.410 -4.434 1.00 11.13 N ATOM 1004 CA GLN A 68 -7.154 1.244 -5.310 1.00 11.44 C ATOM 1005 C GLN A 68 -6.249 0.068 -4.902 1.00 63.42 C ATOM 1006 O GLN A 68 -6.592 -1.093 -5.120 1.00 1.03 O ATOM 1007 CB GLN A 68 -6.921 1.599 -6.786 1.00 64.44 C ATOM 1008 CG GLN A 68 -5.485 1.982 -7.122 1.00 35.14 C ATOM 1009 CD GLN A 68 -5.252 2.145 -8.614 1.00 21.11 C ATOM 1010 OE1 GLN A 68 -5.884 1.485 -9.431 1.00 44.40 O ATOM 1011 NE2 GLN A 68 -4.347 3.025 -8.984 1.00 71.22 N ATOM 0 H GLN A 68 -6.588 3.238 -4.903 1.00 11.13 H new ATOM 0 HA GLN A 68 -8.193 0.936 -5.190 1.00 11.44 H new ATOM 0 HB2 GLN A 68 -7.211 0.748 -7.402 1.00 64.44 H new ATOM 0 HB3 GLN A 68 -7.578 2.426 -7.056 1.00 64.44 H new ATOM 0 HG2 GLN A 68 -5.235 2.914 -6.616 1.00 35.14 H new ATOM 0 HG3 GLN A 68 -4.810 1.218 -6.735 1.00 35.14 H new ATOM 0 HE21 GLN A 68 -3.837 3.559 -8.280 1.00 71.22 H new ATOM 0 HE22 GLN A 68 -4.155 3.173 -9.975 1.00 71.22 H new ATOM 1020 N LEU A 69 -5.097 0.372 -4.302 1.00 10.15 N ATOM 1021 CA LEU A 69 -4.198 -0.671 -3.788 1.00 32.11 C ATOM 1022 C LEU A 69 -4.902 -1.554 -2.745 1.00 74.53 C ATOM 1023 O LEU A 69 -4.562 -2.725 -2.586 1.00 30.43 O ATOM 1024 CB LEU A 69 -2.916 -0.047 -3.203 1.00 51.22 C ATOM 1025 CG LEU A 69 -1.712 0.003 -4.166 1.00 21.15 C ATOM 1026 CD1 LEU A 69 -1.226 -1.408 -4.497 1.00 22.25 C ATOM 1027 CD2 LEU A 69 -2.064 0.760 -5.446 1.00 4.33 C ATOM 0 H LEU A 69 -4.763 1.325 -4.159 1.00 10.15 H new ATOM 0 HA LEU A 69 -3.917 -1.310 -4.625 1.00 32.11 H new ATOM 0 HB2 LEU A 69 -3.142 0.968 -2.876 1.00 51.22 H new ATOM 0 HB3 LEU A 69 -2.628 -0.611 -2.316 1.00 51.22 H new ATOM 0 HG LEU A 69 -0.905 0.539 -3.666 1.00 21.15 H new ATOM 0 HD11 LEU A 69 -0.376 -1.350 -5.177 1.00 22.25 H new ATOM 0 HD12 LEU A 69 -0.922 -1.913 -3.580 1.00 22.25 H new ATOM 0 HD13 LEU A 69 -2.032 -1.969 -4.970 1.00 22.25 H new ATOM 0 HD21 LEU A 69 -1.197 0.780 -6.107 1.00 4.33 H new ATOM 0 HD22 LEU A 69 -2.892 0.260 -5.948 1.00 4.33 H new ATOM 0 HD23 LEU A 69 -2.354 1.781 -5.197 1.00 4.33 H new ATOM 1039 N LEU A 70 -5.886 -0.993 -2.046 1.00 43.54 N ATOM 1040 CA LEU A 70 -6.716 -1.773 -1.120 1.00 71.34 C ATOM 1041 C LEU A 70 -7.524 -2.846 -1.874 1.00 45.31 C ATOM 1042 O LEU A 70 -7.723 -3.953 -1.373 1.00 51.22 O ATOM 1043 CB LEU A 70 -7.659 -0.844 -0.331 1.00 2.42 C ATOM 1044 CG LEU A 70 -7.043 -0.131 0.893 1.00 61.13 C ATOM 1045 CD1 LEU A 70 -6.724 -1.136 1.996 1.00 13.23 C ATOM 1046 CD2 LEU A 70 -5.789 0.654 0.510 1.00 32.31 C ATOM 0 H LEU A 70 -6.131 -0.004 -2.100 1.00 43.54 H new ATOM 0 HA LEU A 70 -6.055 -2.279 -0.416 1.00 71.34 H new ATOM 0 HB2 LEU A 70 -8.043 -0.085 -1.013 1.00 2.42 H new ATOM 0 HB3 LEU A 70 -8.514 -1.430 0.007 1.00 2.42 H new ATOM 0 HG LEU A 70 -7.781 0.578 1.268 1.00 61.13 H new ATOM 0 HD11 LEU A 70 -6.291 -0.614 2.849 1.00 13.23 H new ATOM 0 HD12 LEU A 70 -7.640 -1.640 2.305 1.00 13.23 H new ATOM 0 HD13 LEU A 70 -6.013 -1.873 1.622 1.00 13.23 H new ATOM 0 HD21 LEU A 70 -5.382 1.143 1.395 1.00 32.31 H new ATOM 0 HD22 LEU A 70 -5.045 -0.027 0.097 1.00 32.31 H new ATOM 0 HD23 LEU A 70 -6.045 1.407 -0.235 1.00 32.31 H new ATOM 1058 N ASP A 71 -7.976 -2.515 -3.088 1.00 75.15 N ATOM 1059 CA ASP A 71 -8.706 -3.470 -3.936 1.00 74.11 C ATOM 1060 C ASP A 71 -7.775 -4.602 -4.408 1.00 20.25 C ATOM 1061 O ASP A 71 -8.128 -5.782 -4.343 1.00 25.24 O ATOM 1062 CB ASP A 71 -9.328 -2.740 -5.137 1.00 53.44 C ATOM 1063 CG ASP A 71 -10.125 -3.666 -6.045 1.00 3.40 C ATOM 1064 OD1 ASP A 71 -11.089 -4.297 -5.560 1.00 50.32 O ATOM 1065 OD2 ASP A 71 -9.806 -3.755 -7.250 1.00 75.15 O ATOM 0 H ASP A 71 -7.850 -1.594 -3.508 1.00 75.15 H new ATOM 0 HA ASP A 71 -9.507 -3.918 -3.348 1.00 74.11 H new ATOM 0 HB2 ASP A 71 -9.980 -1.945 -4.775 1.00 53.44 H new ATOM 0 HB3 ASP A 71 -8.537 -2.264 -5.716 1.00 53.44 H new ATOM 1070 N TYR A 72 -6.578 -4.231 -4.864 1.00 53.13 N ATOM 1071 CA TYR A 72 -5.554 -5.213 -5.246 1.00 41.11 C ATOM 1072 C TYR A 72 -5.172 -6.115 -4.063 1.00 53.25 C ATOM 1073 O TYR A 72 -5.199 -7.340 -4.166 1.00 0.43 O ATOM 1074 CB TYR A 72 -4.296 -4.503 -5.775 1.00 22.33 C ATOM 1075 CG TYR A 72 -4.462 -3.890 -7.153 1.00 31.22 C ATOM 1076 CD1 TYR A 72 -5.191 -2.722 -7.336 1.00 41.42 C ATOM 1077 CD2 TYR A 72 -3.887 -4.484 -8.272 1.00 21.52 C ATOM 1078 CE1 TYR A 72 -5.346 -2.164 -8.591 1.00 73.41 C ATOM 1079 CE2 TYR A 72 -4.034 -3.932 -9.528 1.00 65.43 C ATOM 1080 CZ TYR A 72 -4.765 -2.773 -9.684 1.00 64.33 C ATOM 1081 OH TYR A 72 -4.921 -2.228 -10.941 1.00 24.05 O ATOM 0 H TYR A 72 -6.291 -3.259 -4.979 1.00 53.13 H new ATOM 0 HA TYR A 72 -5.978 -5.836 -6.034 1.00 41.11 H new ATOM 0 HB2 TYR A 72 -4.012 -3.719 -5.073 1.00 22.33 H new ATOM 0 HB3 TYR A 72 -3.474 -5.218 -5.804 1.00 22.33 H new ATOM 0 HD1 TYR A 72 -5.645 -2.241 -6.482 1.00 41.42 H new ATOM 0 HD2 TYR A 72 -3.316 -5.393 -8.156 1.00 21.52 H new ATOM 0 HE1 TYR A 72 -5.919 -1.257 -8.715 1.00 73.41 H new ATOM 0 HE2 TYR A 72 -3.579 -4.405 -10.385 1.00 65.43 H new ATOM 0 HH TYR A 72 -4.060 -1.881 -11.256 1.00 24.05 H new ATOM 1091 N CYS A 73 -4.828 -5.492 -2.940 1.00 64.21 N ATOM 1092 CA CYS A 73 -4.399 -6.219 -1.741 1.00 13.54 C ATOM 1093 C CYS A 73 -5.502 -7.130 -1.186 1.00 42.03 C ATOM 1094 O CYS A 73 -5.242 -8.275 -0.823 1.00 73.41 O ATOM 1095 CB CYS A 73 -3.949 -5.233 -0.656 1.00 32.04 C ATOM 1096 SG CYS A 73 -2.484 -4.268 -1.095 1.00 11.43 S ATOM 0 H CYS A 73 -4.837 -4.478 -2.831 1.00 64.21 H new ATOM 0 HA CYS A 73 -3.563 -6.854 -2.034 1.00 13.54 H new ATOM 0 HB2 CYS A 73 -4.770 -4.549 -0.439 1.00 32.04 H new ATOM 0 HB3 CYS A 73 -3.745 -5.787 0.260 1.00 32.04 H new ATOM 0 HG CYS A 73 -2.829 -3.285 -1.873 1.00 11.43 H new ATOM 1102 N SER A 74 -6.731 -6.619 -1.126 1.00 0.31 N ATOM 1103 CA SER A 74 -7.864 -7.383 -0.578 1.00 74.42 C ATOM 1104 C SER A 74 -8.100 -8.688 -1.349 1.00 2.01 C ATOM 1105 O SER A 74 -8.299 -9.743 -0.746 1.00 4.43 O ATOM 1106 CB SER A 74 -9.146 -6.540 -0.588 1.00 51.33 C ATOM 1107 OG SER A 74 -9.468 -6.107 -1.898 1.00 61.11 O ATOM 0 H SER A 74 -6.973 -5.682 -1.448 1.00 0.31 H new ATOM 0 HA SER A 74 -7.607 -7.637 0.450 1.00 74.42 H new ATOM 0 HB2 SER A 74 -9.972 -7.125 -0.183 1.00 51.33 H new ATOM 0 HB3 SER A 74 -9.020 -5.675 0.062 1.00 51.33 H new ATOM 0 HG SER A 74 -8.669 -6.152 -2.463 1.00 61.11 H new ATOM 1113 N GLY A 75 -8.079 -8.612 -2.678 1.00 32.45 N ATOM 1114 CA GLY A 75 -8.254 -9.807 -3.502 1.00 23.32 C ATOM 1115 C GLY A 75 -7.007 -10.694 -3.552 1.00 51.31 C ATOM 1116 O GLY A 75 -7.108 -11.923 -3.573 1.00 55.50 O ATOM 0 H GLY A 75 -7.944 -7.748 -3.202 1.00 32.45 H new ATOM 0 HA2 GLY A 75 -9.090 -10.389 -3.114 1.00 23.32 H new ATOM 0 HA3 GLY A 75 -8.518 -9.506 -4.516 1.00 23.32 H new ATOM 1120 N TYR A 76 -5.828 -10.068 -3.565 1.00 30.24 N ATOM 1121 CA TYR A 76 -4.555 -10.796 -3.674 1.00 13.54 C ATOM 1122 C TYR A 76 -4.245 -11.608 -2.403 1.00 23.34 C ATOM 1123 O TYR A 76 -3.852 -12.772 -2.484 1.00 43.20 O ATOM 1124 CB TYR A 76 -3.407 -9.814 -3.952 1.00 12.31 C ATOM 1125 CG TYR A 76 -2.078 -10.484 -4.261 1.00 41.14 C ATOM 1126 CD1 TYR A 76 -1.763 -10.874 -5.558 1.00 32.04 C ATOM 1127 CD2 TYR A 76 -1.139 -10.723 -3.261 1.00 1.44 C ATOM 1128 CE1 TYR A 76 -0.558 -11.480 -5.850 1.00 74.34 C ATOM 1129 CE2 TYR A 76 0.071 -11.329 -3.550 1.00 32.25 C ATOM 1130 CZ TYR A 76 0.353 -11.706 -4.846 1.00 41.13 C ATOM 1131 OH TYR A 76 1.557 -12.306 -5.141 1.00 35.24 O ATOM 0 H TYR A 76 -5.725 -9.055 -3.501 1.00 30.24 H new ATOM 0 HA TYR A 76 -4.651 -11.497 -4.503 1.00 13.54 H new ATOM 0 HB2 TYR A 76 -3.684 -9.176 -4.791 1.00 12.31 H new ATOM 0 HB3 TYR A 76 -3.281 -9.164 -3.086 1.00 12.31 H new ATOM 0 HD1 TYR A 76 -2.475 -10.699 -6.352 1.00 32.04 H new ATOM 0 HD2 TYR A 76 -1.358 -10.431 -2.245 1.00 1.44 H new ATOM 0 HE1 TYR A 76 -0.332 -11.776 -6.864 1.00 74.34 H new ATOM 0 HE2 TYR A 76 0.791 -11.506 -2.764 1.00 32.25 H new ATOM 0 HH TYR A 76 1.790 -12.939 -4.430 1.00 35.24 H new ATOM 1141 N VAL A 77 -4.429 -10.987 -1.236 1.00 4.33 N ATOM 1142 CA VAL A 77 -4.091 -11.618 0.049 1.00 22.31 C ATOM 1143 C VAL A 77 -4.787 -12.980 0.228 1.00 33.23 C ATOM 1144 O VAL A 77 -4.211 -13.916 0.784 1.00 75.23 O ATOM 1145 CB VAL A 77 -4.449 -10.691 1.240 1.00 73.22 C ATOM 1146 CG1 VAL A 77 -5.956 -10.459 1.340 1.00 22.23 C ATOM 1147 CG2 VAL A 77 -3.894 -11.246 2.550 1.00 45.43 C ATOM 0 H VAL A 77 -4.811 -10.045 -1.151 1.00 4.33 H new ATOM 0 HA VAL A 77 -3.014 -11.786 0.037 1.00 22.31 H new ATOM 0 HB VAL A 77 -3.981 -9.724 1.054 1.00 73.22 H new ATOM 0 HG11 VAL A 77 -6.168 -9.805 2.186 1.00 22.23 H new ATOM 0 HG12 VAL A 77 -6.314 -9.993 0.422 1.00 22.23 H new ATOM 0 HG13 VAL A 77 -6.462 -11.414 1.483 1.00 22.23 H new ATOM 0 HG21 VAL A 77 -4.159 -10.578 3.369 1.00 45.43 H new ATOM 0 HG22 VAL A 77 -4.318 -12.233 2.735 1.00 45.43 H new ATOM 0 HG23 VAL A 77 -2.809 -11.324 2.481 1.00 45.43 H new ATOM 1157 N ASP A 78 -6.016 -13.085 -0.268 1.00 42.32 N ATOM 1158 CA ASP A 78 -6.787 -14.329 -0.190 1.00 44.13 C ATOM 1159 C ASP A 78 -6.103 -15.469 -0.971 1.00 73.14 C ATOM 1160 O ASP A 78 -6.205 -16.643 -0.604 1.00 40.25 O ATOM 1161 CB ASP A 78 -8.198 -14.079 -0.734 1.00 11.11 C ATOM 1162 CG ASP A 78 -9.043 -15.340 -0.788 1.00 30.10 C ATOM 1163 OD1 ASP A 78 -9.541 -15.773 0.269 1.00 62.14 O ATOM 1164 OD2 ASP A 78 -9.223 -15.896 -1.892 1.00 11.45 O ATOM 0 H ASP A 78 -6.505 -12.320 -0.732 1.00 42.32 H new ATOM 0 HA ASP A 78 -6.843 -14.640 0.853 1.00 44.13 H new ATOM 0 HB2 ASP A 78 -8.697 -13.340 -0.108 1.00 11.11 H new ATOM 0 HB3 ASP A 78 -8.126 -13.653 -1.735 1.00 11.11 H new ATOM 1169 N CYS A 79 -5.389 -15.112 -2.038 1.00 35.13 N ATOM 1170 CA CYS A 79 -4.724 -16.099 -2.900 1.00 54.23 C ATOM 1171 C CYS A 79 -3.349 -16.522 -2.349 1.00 33.04 C ATOM 1172 O CYS A 79 -2.723 -17.442 -2.876 1.00 40.30 O ATOM 1173 CB CYS A 79 -4.564 -15.538 -4.320 1.00 33.24 C ATOM 1174 SG CYS A 79 -6.126 -15.130 -5.143 1.00 64.21 S ATOM 0 H CYS A 79 -5.254 -14.144 -2.330 1.00 35.13 H new ATOM 0 HA CYS A 79 -5.357 -16.986 -2.922 1.00 54.23 H new ATOM 0 HB2 CYS A 79 -3.945 -14.642 -4.276 1.00 33.24 H new ATOM 0 HB3 CYS A 79 -4.027 -16.267 -4.927 1.00 33.24 H new ATOM 0 HG CYS A 79 -5.881 -14.663 -6.331 1.00 64.21 H new ATOM 1180 N ILE A 80 -2.883 -15.849 -1.293 1.00 62.04 N ATOM 1181 CA ILE A 80 -1.583 -16.169 -0.680 1.00 60.14 C ATOM 1182 C ILE A 80 -1.666 -17.434 0.199 1.00 74.51 C ATOM 1183 O ILE A 80 -2.299 -17.424 1.258 1.00 3.00 O ATOM 1184 CB ILE A 80 -1.052 -14.986 0.176 1.00 0.01 C ATOM 1185 CG1 ILE A 80 -0.899 -13.722 -0.689 1.00 54.32 C ATOM 1186 CG2 ILE A 80 0.281 -15.352 0.840 1.00 32.11 C ATOM 1187 CD1 ILE A 80 -0.410 -12.507 0.076 1.00 33.23 C ATOM 0 H ILE A 80 -3.382 -15.081 -0.843 1.00 62.04 H new ATOM 0 HA ILE A 80 -0.890 -16.354 -1.501 1.00 60.14 H new ATOM 0 HB ILE A 80 -1.777 -14.779 0.963 1.00 0.01 H new ATOM 0 HG12 ILE A 80 -0.203 -13.932 -1.501 1.00 54.32 H new ATOM 0 HG13 ILE A 80 -1.861 -13.488 -1.146 1.00 54.32 H new ATOM 0 HG21 ILE A 80 0.635 -14.510 1.434 1.00 32.11 H new ATOM 0 HG22 ILE A 80 0.140 -16.218 1.486 1.00 32.11 H new ATOM 0 HG23 ILE A 80 1.017 -15.589 0.072 1.00 32.11 H new ATOM 0 HD11 ILE A 80 -0.328 -11.658 -0.603 1.00 33.23 H new ATOM 0 HD12 ILE A 80 -1.117 -12.269 0.871 1.00 33.23 H new ATOM 0 HD13 ILE A 80 0.567 -12.719 0.510 1.00 33.23 H new ATOM 1199 N PRO A 81 -1.017 -18.541 -0.223 1.00 73.33 N ATOM 1200 CA PRO A 81 -1.037 -19.808 0.531 1.00 52.04 C ATOM 1201 C PRO A 81 -0.175 -19.752 1.803 1.00 13.44 C ATOM 1202 O PRO A 81 -0.455 -20.433 2.790 1.00 51.32 O ATOM 1203 CB PRO A 81 -0.466 -20.818 -0.470 1.00 42.52 C ATOM 1204 CG PRO A 81 0.426 -20.008 -1.351 1.00 64.40 C ATOM 1205 CD PRO A 81 -0.212 -18.647 -1.458 1.00 1.10 C ATOM 0 HA PRO A 81 -2.036 -20.058 0.887 1.00 52.04 H new ATOM 0 HB2 PRO A 81 0.088 -21.609 0.036 1.00 42.52 H new ATOM 0 HB3 PRO A 81 -1.258 -21.300 -1.043 1.00 42.52 H new ATOM 0 HG2 PRO A 81 1.428 -19.936 -0.929 1.00 64.40 H new ATOM 0 HG3 PRO A 81 0.526 -20.469 -2.333 1.00 64.40 H new ATOM 0 HD2 PRO A 81 0.537 -17.857 -1.517 1.00 1.10 H new ATOM 0 HD3 PRO A 81 -0.833 -18.565 -2.350 1.00 1.10 H new ATOM 1213 N GLN A 82 0.882 -18.941 1.775 1.00 24.45 N ATOM 1214 CA GLN A 82 1.740 -18.756 2.946 1.00 74.55 C ATOM 1215 C GLN A 82 1.070 -17.841 3.977 1.00 73.05 C ATOM 1216 O GLN A 82 1.088 -16.619 3.834 1.00 75.44 O ATOM 1217 CB GLN A 82 3.103 -18.173 2.540 1.00 61.03 C ATOM 1218 CG GLN A 82 3.948 -19.096 1.671 1.00 71.50 C ATOM 1219 CD GLN A 82 4.130 -20.475 2.286 1.00 12.21 C ATOM 1220 OE1 GLN A 82 5.044 -20.702 3.071 1.00 24.44 O ATOM 1221 NE2 GLN A 82 3.264 -21.404 1.936 1.00 71.15 N ATOM 0 H GLN A 82 1.165 -18.402 0.956 1.00 24.45 H new ATOM 0 HA GLN A 82 1.898 -19.736 3.397 1.00 74.55 H new ATOM 0 HB2 GLN A 82 2.940 -17.238 2.004 1.00 61.03 H new ATOM 0 HB3 GLN A 82 3.664 -17.929 3.442 1.00 61.03 H new ATOM 0 HG2 GLN A 82 3.479 -19.198 0.693 1.00 71.50 H new ATOM 0 HG3 GLN A 82 4.926 -18.642 1.510 1.00 71.50 H new ATOM 0 HE21 GLN A 82 2.515 -21.182 1.280 1.00 71.15 H new ATOM 0 HE22 GLN A 82 3.343 -22.345 2.321 1.00 71.15 H new ATOM 1230 N THR A 83 0.475 -18.434 5.009 1.00 33.32 N ATOM 1231 CA THR A 83 -0.204 -17.660 6.057 1.00 2.03 C ATOM 1232 C THR A 83 0.755 -16.670 6.738 1.00 53.43 C ATOM 1233 O THR A 83 0.342 -15.596 7.170 1.00 22.41 O ATOM 1234 CB THR A 83 -0.850 -18.573 7.127 1.00 1.41 C ATOM 1235 OG1 THR A 83 -1.702 -19.545 6.494 1.00 43.52 O ATOM 1236 CG2 THR A 83 -1.671 -17.754 8.120 1.00 4.10 C ATOM 0 H THR A 83 0.447 -19.444 5.146 1.00 33.32 H new ATOM 0 HA THR A 83 -0.996 -17.100 5.559 1.00 2.03 H new ATOM 0 HB THR A 83 -0.050 -19.079 7.667 1.00 1.41 H new ATOM 0 HG1 THR A 83 -2.106 -20.120 7.177 1.00 43.52 H new ATOM 0 HG21 THR A 83 -2.114 -18.419 8.861 1.00 4.10 H new ATOM 0 HG22 THR A 83 -1.024 -17.033 8.620 1.00 4.10 H new ATOM 0 HG23 THR A 83 -2.462 -17.224 7.589 1.00 4.10 H new ATOM 1244 N ARG A 84 2.038 -17.037 6.825 1.00 51.15 N ATOM 1245 CA ARG A 84 3.071 -16.136 7.356 1.00 42.11 C ATOM 1246 C ARG A 84 3.103 -14.815 6.569 1.00 50.24 C ATOM 1247 O ARG A 84 2.932 -13.733 7.135 1.00 54.35 O ATOM 1248 CB ARG A 84 4.449 -16.814 7.295 1.00 64.23 C ATOM 1249 CG ARG A 84 4.571 -18.066 8.159 1.00 44.33 C ATOM 1250 CD ARG A 84 4.380 -17.757 9.644 1.00 53.44 C ATOM 1251 NE ARG A 84 5.313 -16.729 10.119 1.00 3.24 N ATOM 1252 CZ ARG A 84 5.761 -16.642 11.345 1.00 3.32 C ATOM 1253 NH1 ARG A 84 5.432 -17.516 12.239 1.00 75.24 N ATOM 1254 NH2 ARG A 84 6.551 -15.672 11.675 1.00 31.55 N ATOM 0 H ARG A 84 2.387 -17.950 6.535 1.00 51.15 H new ATOM 0 HA ARG A 84 2.827 -15.914 8.395 1.00 42.11 H new ATOM 0 HB2 ARG A 84 4.665 -17.078 6.260 1.00 64.23 H new ATOM 0 HB3 ARG A 84 5.208 -16.096 7.606 1.00 64.23 H new ATOM 0 HG2 ARG A 84 3.829 -18.799 7.843 1.00 44.33 H new ATOM 0 HG3 ARG A 84 5.551 -18.518 8.006 1.00 44.33 H new ATOM 0 HD2 ARG A 84 3.356 -17.424 9.816 1.00 53.44 H new ATOM 0 HD3 ARG A 84 4.520 -18.669 10.224 1.00 53.44 H new ATOM 0 HE ARG A 84 5.635 -16.033 9.446 1.00 3.24 H new ATOM 0 HH11 ARG A 84 4.814 -18.289 11.993 1.00 75.24 H new ATOM 0 HH12 ARG A 84 5.791 -17.433 13.190 1.00 75.24 H new ATOM 0 HH21 ARG A 84 6.823 -14.977 10.980 1.00 31.55 H new ATOM 0 HH22 ARG A 84 6.901 -15.602 12.630 1.00 31.55 H new ATOM 1268 N ASN A 85 3.313 -14.918 5.254 1.00 53.32 N ATOM 1269 CA ASN A 85 3.284 -13.747 4.367 1.00 43.23 C ATOM 1270 C ASN A 85 1.908 -13.064 4.394 1.00 42.11 C ATOM 1271 O ASN A 85 1.811 -11.841 4.389 1.00 64.30 O ATOM 1272 CB ASN A 85 3.622 -14.149 2.924 1.00 23.11 C ATOM 1273 CG ASN A 85 5.022 -14.719 2.775 1.00 52.42 C ATOM 1274 OD1 ASN A 85 5.556 -15.343 3.685 1.00 1.42 O ATOM 1275 ND2 ASN A 85 5.625 -14.512 1.624 1.00 35.11 N ATOM 0 H ASN A 85 3.505 -15.799 4.778 1.00 53.32 H new ATOM 0 HA ASN A 85 4.034 -13.045 4.731 1.00 43.23 H new ATOM 0 HB2 ASN A 85 2.897 -14.887 2.580 1.00 23.11 H new ATOM 0 HB3 ASN A 85 3.521 -13.277 2.277 1.00 23.11 H new ATOM 0 HD21 ASN A 85 6.565 -14.875 1.468 1.00 35.11 H new ATOM 0 HD22 ASN A 85 5.152 -13.988 0.887 1.00 35.11 H new ATOM 1282 N LYS A 86 0.850 -13.873 4.430 1.00 0.45 N ATOM 1283 CA LYS A 86 -0.525 -13.363 4.425 1.00 72.14 C ATOM 1284 C LYS A 86 -0.805 -12.460 5.640 1.00 42.00 C ATOM 1285 O LYS A 86 -1.403 -11.390 5.500 1.00 64.30 O ATOM 1286 CB LYS A 86 -1.522 -14.534 4.376 1.00 32.14 C ATOM 1287 CG LYS A 86 -2.984 -14.102 4.393 1.00 23.01 C ATOM 1288 CD LYS A 86 -3.927 -15.208 3.915 1.00 23.04 C ATOM 1289 CE LYS A 86 -3.835 -16.465 4.770 1.00 64.31 C ATOM 1290 NZ LYS A 86 -4.860 -17.472 4.383 1.00 64.02 N ATOM 0 H LYS A 86 0.917 -14.890 4.463 1.00 0.45 H new ATOM 0 HA LYS A 86 -0.651 -12.750 3.532 1.00 72.14 H new ATOM 0 HB2 LYS A 86 -1.337 -15.119 3.475 1.00 32.14 H new ATOM 0 HB3 LYS A 86 -1.338 -15.191 5.226 1.00 32.14 H new ATOM 0 HG2 LYS A 86 -3.260 -13.806 5.405 1.00 23.01 H new ATOM 0 HG3 LYS A 86 -3.108 -13.224 3.759 1.00 23.01 H new ATOM 0 HD2 LYS A 86 -4.952 -14.838 3.929 1.00 23.04 H new ATOM 0 HD3 LYS A 86 -3.693 -15.459 2.880 1.00 23.04 H new ATOM 0 HE2 LYS A 86 -2.841 -16.901 4.670 1.00 64.31 H new ATOM 0 HE3 LYS A 86 -3.963 -16.201 5.820 1.00 64.31 H new ATOM 0 HZ1 LYS A 86 -4.766 -18.313 4.987 1.00 64.02 H new ATOM 0 HZ2 LYS A 86 -5.809 -17.065 4.503 1.00 64.02 H new ATOM 0 HZ3 LYS A 86 -4.722 -17.743 3.388 1.00 64.02 H new ATOM 1304 N PHE A 87 -0.364 -12.884 6.823 1.00 62.15 N ATOM 1305 CA PHE A 87 -0.548 -12.091 8.045 1.00 41.43 C ATOM 1306 C PHE A 87 0.221 -10.764 7.955 1.00 14.22 C ATOM 1307 O PHE A 87 -0.350 -9.688 8.153 1.00 64.14 O ATOM 1308 CB PHE A 87 -0.083 -12.883 9.274 1.00 72.11 C ATOM 1309 CG PHE A 87 -0.445 -12.239 10.590 1.00 70.02 C ATOM 1310 CD1 PHE A 87 -1.701 -12.433 11.150 1.00 12.43 C ATOM 1311 CD2 PHE A 87 0.468 -11.441 11.266 1.00 51.30 C ATOM 1312 CE1 PHE A 87 -2.037 -11.846 12.355 1.00 41.13 C ATOM 1313 CE2 PHE A 87 0.136 -10.852 12.472 1.00 34.44 C ATOM 1314 CZ PHE A 87 -1.118 -11.055 13.017 1.00 33.30 C ATOM 0 H PHE A 87 0.122 -13.769 6.965 1.00 62.15 H new ATOM 0 HA PHE A 87 -1.611 -11.871 8.148 1.00 41.43 H new ATOM 0 HB2 PHE A 87 -0.519 -13.881 9.237 1.00 72.11 H new ATOM 0 HB3 PHE A 87 0.999 -13.006 9.227 1.00 72.11 H new ATOM 0 HD1 PHE A 87 -2.424 -13.050 10.637 1.00 12.43 H new ATOM 0 HD2 PHE A 87 1.449 -11.278 10.845 1.00 51.30 H new ATOM 0 HE1 PHE A 87 -3.017 -12.005 12.779 1.00 41.13 H new ATOM 0 HE2 PHE A 87 0.856 -10.234 12.988 1.00 34.44 H new ATOM 0 HZ PHE A 87 -1.379 -10.596 13.959 1.00 33.30 H new ATOM 1324 N ALA A 88 1.516 -10.852 7.643 1.00 55.51 N ATOM 1325 CA ALA A 88 2.357 -9.661 7.469 1.00 72.24 C ATOM 1326 C ALA A 88 1.785 -8.729 6.390 1.00 32.22 C ATOM 1327 O ALA A 88 1.863 -7.505 6.497 1.00 32.11 O ATOM 1328 CB ALA A 88 3.783 -10.074 7.117 1.00 72.32 C ATOM 0 H ALA A 88 2.007 -11.735 7.505 1.00 55.51 H new ATOM 0 HA ALA A 88 2.369 -9.112 8.410 1.00 72.24 H new ATOM 0 HB1 ALA A 88 4.399 -9.184 6.990 1.00 72.32 H new ATOM 0 HB2 ALA A 88 4.193 -10.687 7.920 1.00 72.32 H new ATOM 0 HB3 ALA A 88 3.778 -10.647 6.190 1.00 72.32 H new ATOM 1334 N PHE A 89 1.204 -9.325 5.354 1.00 64.44 N ATOM 1335 CA PHE A 89 0.568 -8.571 4.275 1.00 51.42 C ATOM 1336 C PHE A 89 -0.695 -7.847 4.778 1.00 2.45 C ATOM 1337 O PHE A 89 -0.939 -6.692 4.434 1.00 72.44 O ATOM 1338 CB PHE A 89 0.216 -9.522 3.121 1.00 42.32 C ATOM 1339 CG PHE A 89 -0.246 -8.833 1.863 1.00 42.55 C ATOM 1340 CD1 PHE A 89 0.674 -8.369 0.933 1.00 51.22 C ATOM 1341 CD2 PHE A 89 -1.596 -8.655 1.606 1.00 22.20 C ATOM 1342 CE1 PHE A 89 0.254 -7.744 -0.223 1.00 45.32 C ATOM 1343 CE2 PHE A 89 -2.019 -8.033 0.450 1.00 4.45 C ATOM 1344 CZ PHE A 89 -1.094 -7.575 -0.466 1.00 40.21 C ATOM 0 H PHE A 89 1.160 -10.337 5.237 1.00 64.44 H new ATOM 0 HA PHE A 89 1.267 -7.814 3.918 1.00 51.42 H new ATOM 0 HB2 PHE A 89 1.091 -10.129 2.888 1.00 42.32 H new ATOM 0 HB3 PHE A 89 -0.566 -10.204 3.455 1.00 42.32 H new ATOM 0 HD1 PHE A 89 1.730 -8.499 1.116 1.00 51.22 H new ATOM 0 HD2 PHE A 89 -2.326 -9.008 2.320 1.00 22.20 H new ATOM 0 HE1 PHE A 89 0.980 -7.387 -0.938 1.00 45.32 H new ATOM 0 HE2 PHE A 89 -3.075 -7.904 0.262 1.00 4.45 H new ATOM 0 HZ PHE A 89 -1.424 -7.086 -1.370 1.00 40.21 H new ATOM 1354 N ARG A 90 -1.495 -8.534 5.596 1.00 50.24 N ATOM 1355 CA ARG A 90 -2.700 -7.939 6.184 1.00 1.44 C ATOM 1356 C ARG A 90 -2.354 -6.736 7.072 1.00 64.11 C ATOM 1357 O ARG A 90 -2.917 -5.648 6.910 1.00 34.23 O ATOM 1358 CB ARG A 90 -3.483 -8.985 6.998 1.00 51.23 C ATOM 1359 CG ARG A 90 -4.176 -10.062 6.159 1.00 12.10 C ATOM 1360 CD ARG A 90 -5.376 -9.513 5.382 1.00 31.14 C ATOM 1361 NE ARG A 90 -4.993 -8.531 4.366 1.00 11.02 N ATOM 1362 CZ ARG A 90 -5.795 -7.610 3.897 1.00 54.41 C ATOM 1363 NH1 ARG A 90 -7.024 -7.536 4.294 1.00 52.32 N ATOM 1364 NH2 ARG A 90 -5.362 -6.769 3.016 1.00 12.30 N ATOM 0 H ARG A 90 -1.331 -9.504 5.867 1.00 50.24 H new ATOM 0 HA ARG A 90 -3.326 -7.589 5.363 1.00 1.44 H new ATOM 0 HB2 ARG A 90 -2.799 -9.470 7.694 1.00 51.23 H new ATOM 0 HB3 ARG A 90 -4.235 -8.471 7.597 1.00 51.23 H new ATOM 0 HG2 ARG A 90 -3.459 -10.491 5.459 1.00 12.10 H new ATOM 0 HG3 ARG A 90 -4.508 -10.870 6.811 1.00 12.10 H new ATOM 0 HD2 ARG A 90 -5.901 -10.339 4.903 1.00 31.14 H new ATOM 0 HD3 ARG A 90 -6.075 -9.053 6.080 1.00 31.14 H new ATOM 0 HE ARG A 90 -4.041 -8.567 4.001 1.00 11.02 H new ATOM 0 HH11 ARG A 90 -7.379 -8.201 4.981 1.00 52.32 H new ATOM 0 HH12 ARG A 90 -7.638 -6.813 3.920 1.00 52.32 H new ATOM 0 HH21 ARG A 90 -4.398 -6.825 2.689 1.00 12.30 H new ATOM 0 HH22 ARG A 90 -5.985 -6.050 2.648 1.00 12.30 H new ATOM 1378 N GLU A 91 -1.420 -6.930 8.001 1.00 52.13 N ATOM 1379 CA GLU A 91 -1.016 -5.859 8.917 1.00 32.10 C ATOM 1380 C GLU A 91 -0.362 -4.688 8.152 1.00 45.00 C ATOM 1381 O GLU A 91 -0.613 -3.522 8.456 1.00 44.12 O ATOM 1382 CB GLU A 91 -0.068 -6.399 10.001 1.00 44.11 C ATOM 1383 CG GLU A 91 1.306 -6.808 9.487 1.00 52.00 C ATOM 1384 CD GLU A 91 2.246 -7.225 10.604 1.00 54.31 C ATOM 1385 OE1 GLU A 91 2.792 -6.331 11.287 1.00 70.14 O ATOM 1386 OE2 GLU A 91 2.441 -8.440 10.813 1.00 72.44 O ATOM 0 H GLU A 91 -0.929 -7.813 8.141 1.00 52.13 H new ATOM 0 HA GLU A 91 -1.914 -5.479 9.405 1.00 32.10 H new ATOM 0 HB2 GLU A 91 0.057 -5.637 10.770 1.00 44.11 H new ATOM 0 HB3 GLU A 91 -0.535 -7.260 10.479 1.00 44.11 H new ATOM 0 HG2 GLU A 91 1.196 -7.633 8.783 1.00 52.00 H new ATOM 0 HG3 GLU A 91 1.747 -5.976 8.937 1.00 52.00 H new ATOM 1393 N ALA A 92 0.462 -5.004 7.152 1.00 22.13 N ATOM 1394 CA ALA A 92 1.092 -3.978 6.307 1.00 11.33 C ATOM 1395 C ALA A 92 0.038 -3.124 5.589 1.00 54.11 C ATOM 1396 O ALA A 92 0.093 -1.892 5.611 1.00 70.24 O ATOM 1397 CB ALA A 92 2.029 -4.631 5.296 1.00 64.50 C ATOM 0 H ALA A 92 0.711 -5.961 6.904 1.00 22.13 H new ATOM 0 HA ALA A 92 1.672 -3.318 6.952 1.00 11.33 H new ATOM 0 HB1 ALA A 92 2.489 -3.861 4.676 1.00 64.50 H new ATOM 0 HB2 ALA A 92 2.806 -5.184 5.824 1.00 64.50 H new ATOM 0 HB3 ALA A 92 1.463 -5.315 4.664 1.00 64.50 H new ATOM 1403 N VAL A 93 -0.926 -3.788 4.953 1.00 72.45 N ATOM 1404 CA VAL A 93 -2.046 -3.096 4.307 1.00 15.33 C ATOM 1405 C VAL A 93 -2.854 -2.270 5.325 1.00 5.31 C ATOM 1406 O VAL A 93 -3.364 -1.194 5.004 1.00 2.42 O ATOM 1407 CB VAL A 93 -2.977 -4.099 3.574 1.00 65.30 C ATOM 1408 CG1 VAL A 93 -4.214 -3.400 3.014 1.00 50.34 C ATOM 1409 CG2 VAL A 93 -2.218 -4.809 2.456 1.00 13.15 C ATOM 0 H VAL A 93 -0.956 -4.804 4.870 1.00 72.45 H new ATOM 0 HA VAL A 93 -1.623 -2.414 3.569 1.00 15.33 H new ATOM 0 HB VAL A 93 -3.310 -4.840 4.301 1.00 65.30 H new ATOM 0 HG11 VAL A 93 -4.846 -4.129 2.507 1.00 50.34 H new ATOM 0 HG12 VAL A 93 -4.773 -2.941 3.829 1.00 50.34 H new ATOM 0 HG13 VAL A 93 -3.908 -2.630 2.306 1.00 50.34 H new ATOM 0 HG21 VAL A 93 -2.884 -5.509 1.951 1.00 13.15 H new ATOM 0 HG22 VAL A 93 -1.854 -4.073 1.739 1.00 13.15 H new ATOM 0 HG23 VAL A 93 -1.373 -5.353 2.878 1.00 13.15 H new ATOM 1419 N SER A 94 -2.949 -2.771 6.558 1.00 12.10 N ATOM 1420 CA SER A 94 -3.609 -2.030 7.645 1.00 44.14 C ATOM 1421 C SER A 94 -2.926 -0.673 7.869 1.00 45.13 C ATOM 1422 O SER A 94 -3.589 0.342 8.061 1.00 70.54 O ATOM 1423 CB SER A 94 -3.604 -2.840 8.952 1.00 74.21 C ATOM 1424 OG SER A 94 -4.278 -4.081 8.797 1.00 53.21 O ATOM 0 H SER A 94 -2.581 -3.682 6.832 1.00 12.10 H new ATOM 0 HA SER A 94 -4.644 -1.861 7.348 1.00 44.14 H new ATOM 0 HB2 SER A 94 -2.576 -3.020 9.266 1.00 74.21 H new ATOM 0 HB3 SER A 94 -4.082 -2.261 9.742 1.00 74.21 H new ATOM 0 HG SER A 94 -3.805 -4.630 8.137 1.00 53.21 H new ATOM 1430 N LYS A 95 -1.592 -0.659 7.835 1.00 52.51 N ATOM 1431 CA LYS A 95 -0.833 0.599 7.929 1.00 52.20 C ATOM 1432 C LYS A 95 -1.103 1.505 6.715 1.00 25.25 C ATOM 1433 O LYS A 95 -1.201 2.725 6.855 1.00 74.05 O ATOM 1434 CB LYS A 95 0.681 0.332 8.048 1.00 41.45 C ATOM 1435 CG LYS A 95 1.168 0.019 9.464 1.00 40.13 C ATOM 1436 CD LYS A 95 0.593 -1.285 10.002 1.00 30.23 C ATOM 1437 CE LYS A 95 1.108 -1.594 11.403 1.00 42.14 C ATOM 1438 NZ LYS A 95 0.681 -0.566 12.390 1.00 22.31 N ATOM 0 H LYS A 95 -1.015 -1.495 7.744 1.00 52.51 H new ATOM 0 HA LYS A 95 -1.171 1.109 8.831 1.00 52.20 H new ATOM 0 HB2 LYS A 95 0.941 -0.503 7.397 1.00 41.45 H new ATOM 0 HB3 LYS A 95 1.220 1.204 7.678 1.00 41.45 H new ATOM 0 HG2 LYS A 95 2.256 -0.039 9.466 1.00 40.13 H new ATOM 0 HG3 LYS A 95 0.891 0.837 10.129 1.00 40.13 H new ATOM 0 HD2 LYS A 95 -0.495 -1.223 10.020 1.00 30.23 H new ATOM 0 HD3 LYS A 95 0.854 -2.102 9.330 1.00 30.23 H new ATOM 0 HE2 LYS A 95 0.743 -2.572 11.716 1.00 42.14 H new ATOM 0 HE3 LYS A 95 2.196 -1.651 11.385 1.00 42.14 H new ATOM 0 HZ1 LYS A 95 0.888 -0.902 13.352 1.00 22.31 H new ATOM 0 HZ2 LYS A 95 1.197 0.320 12.214 1.00 22.31 H new ATOM 0 HZ3 LYS A 95 -0.341 -0.396 12.294 1.00 22.31 H new ATOM 1452 N LEU A 96 -1.230 0.903 5.531 1.00 15.35 N ATOM 1453 CA LEU A 96 -1.476 1.661 4.298 1.00 72.33 C ATOM 1454 C LEU A 96 -2.791 2.458 4.377 1.00 62.41 C ATOM 1455 O LEU A 96 -2.806 3.668 4.144 1.00 32.43 O ATOM 1456 CB LEU A 96 -1.511 0.712 3.090 1.00 3.21 C ATOM 1457 CG LEU A 96 -1.727 1.390 1.726 1.00 21.24 C ATOM 1458 CD1 LEU A 96 -0.567 2.327 1.394 1.00 60.52 C ATOM 1459 CD2 LEU A 96 -1.915 0.345 0.627 1.00 72.34 C ATOM 0 H LEU A 96 -1.167 -0.106 5.398 1.00 15.35 H new ATOM 0 HA LEU A 96 -0.658 2.371 4.177 1.00 72.33 H new ATOM 0 HB2 LEU A 96 -0.573 0.158 3.057 1.00 3.21 H new ATOM 0 HB3 LEU A 96 -2.306 -0.017 3.245 1.00 3.21 H new ATOM 0 HG LEU A 96 -2.636 1.988 1.784 1.00 21.24 H new ATOM 0 HD11 LEU A 96 -0.743 2.794 0.425 1.00 60.52 H new ATOM 0 HD12 LEU A 96 -0.491 3.098 2.161 1.00 60.52 H new ATOM 0 HD13 LEU A 96 0.362 1.758 1.359 1.00 60.52 H new ATOM 0 HD21 LEU A 96 -2.066 0.846 -0.329 1.00 72.34 H new ATOM 0 HD22 LEU A 96 -1.028 -0.286 0.570 1.00 72.34 H new ATOM 0 HD23 LEU A 96 -2.785 -0.271 0.856 1.00 72.34 H new ATOM 1471 N GLU A 97 -3.886 1.781 4.729 1.00 44.12 N ATOM 1472 CA GLU A 97 -5.195 2.440 4.841 1.00 71.51 C ATOM 1473 C GLU A 97 -5.191 3.514 5.944 1.00 61.43 C ATOM 1474 O GLU A 97 -5.746 4.602 5.767 1.00 53.12 O ATOM 1475 CB GLU A 97 -6.306 1.409 5.096 1.00 64.05 C ATOM 1476 CG GLU A 97 -6.110 0.576 6.359 1.00 44.11 C ATOM 1477 CD GLU A 97 -7.277 -0.353 6.644 1.00 41.22 C ATOM 1478 OE1 GLU A 97 -7.287 -1.488 6.122 1.00 1.14 O ATOM 1479 OE2 GLU A 97 -8.195 0.049 7.391 1.00 54.10 O ATOM 0 H GLU A 97 -3.896 0.783 4.941 1.00 44.12 H new ATOM 0 HA GLU A 97 -5.396 2.936 3.892 1.00 71.51 H new ATOM 0 HB2 GLU A 97 -7.261 1.930 5.163 1.00 64.05 H new ATOM 0 HB3 GLU A 97 -6.368 0.739 4.239 1.00 64.05 H new ATOM 0 HG2 GLU A 97 -5.199 -0.014 6.261 1.00 44.11 H new ATOM 0 HG3 GLU A 97 -5.968 1.243 7.209 1.00 44.11 H new ATOM 1486 N LEU A 98 -4.550 3.210 7.076 1.00 31.54 N ATOM 1487 CA LEU A 98 -4.406 4.181 8.169 1.00 32.34 C ATOM 1488 C LEU A 98 -3.636 5.426 7.702 1.00 74.23 C ATOM 1489 O LEU A 98 -4.050 6.558 7.957 1.00 63.11 O ATOM 1490 CB LEU A 98 -3.693 3.542 9.370 1.00 31.34 C ATOM 1491 CG LEU A 98 -4.465 2.416 10.075 1.00 63.05 C ATOM 1492 CD1 LEU A 98 -3.618 1.792 11.181 1.00 51.10 C ATOM 1493 CD2 LEU A 98 -5.790 2.935 10.634 1.00 71.14 C ATOM 0 H LEU A 98 -4.123 2.302 7.261 1.00 31.54 H new ATOM 0 HA LEU A 98 -5.406 4.488 8.476 1.00 32.34 H new ATOM 0 HB2 LEU A 98 -2.735 3.146 9.033 1.00 31.34 H new ATOM 0 HB3 LEU A 98 -3.477 4.323 10.099 1.00 31.34 H new ATOM 0 HG LEU A 98 -4.687 1.643 9.339 1.00 63.05 H new ATOM 0 HD11 LEU A 98 -4.183 0.997 11.667 1.00 51.10 H new ATOM 0 HD12 LEU A 98 -2.706 1.378 10.751 1.00 51.10 H new ATOM 0 HD13 LEU A 98 -3.359 2.555 11.915 1.00 51.10 H new ATOM 0 HD21 LEU A 98 -6.320 2.121 11.129 1.00 71.14 H new ATOM 0 HD22 LEU A 98 -5.595 3.731 11.353 1.00 71.14 H new ATOM 0 HD23 LEU A 98 -6.401 3.324 9.819 1.00 71.14 H new ATOM 1505 N SER A 99 -2.532 5.208 6.993 1.00 24.34 N ATOM 1506 CA SER A 99 -1.707 6.310 6.478 1.00 23.34 C ATOM 1507 C SER A 99 -2.460 7.130 5.415 1.00 71.55 C ATOM 1508 O SER A 99 -2.205 8.320 5.240 1.00 55.43 O ATOM 1509 CB SER A 99 -0.393 5.770 5.899 1.00 33.31 C ATOM 1510 OG SER A 99 0.462 6.820 5.465 1.00 42.34 O ATOM 0 H SER A 99 -2.183 4.279 6.759 1.00 24.34 H new ATOM 0 HA SER A 99 -1.481 6.973 7.314 1.00 23.34 H new ATOM 0 HB2 SER A 99 0.119 5.173 6.654 1.00 33.31 H new ATOM 0 HB3 SER A 99 -0.610 5.107 5.061 1.00 33.31 H new ATOM 0 HG SER A 99 0.112 7.679 5.782 1.00 42.34 H new ATOM 1516 N LEU A 100 -3.394 6.491 4.709 1.00 32.05 N ATOM 1517 CA LEU A 100 -4.220 7.183 3.708 1.00 2.10 C ATOM 1518 C LEU A 100 -5.288 8.079 4.364 1.00 54.12 C ATOM 1519 O LEU A 100 -5.518 9.212 3.924 1.00 43.31 O ATOM 1520 CB LEU A 100 -4.887 6.166 2.771 1.00 4.12 C ATOM 1521 CG LEU A 100 -3.937 5.478 1.773 1.00 51.14 C ATOM 1522 CD1 LEU A 100 -4.641 4.345 1.035 1.00 10.43 C ATOM 1523 CD2 LEU A 100 -3.373 6.494 0.779 1.00 12.51 C ATOM 0 H LEU A 100 -3.600 5.497 4.809 1.00 32.05 H new ATOM 0 HA LEU A 100 -3.559 7.827 3.128 1.00 2.10 H new ATOM 0 HB2 LEU A 100 -5.370 5.399 3.377 1.00 4.12 H new ATOM 0 HB3 LEU A 100 -5.673 6.672 2.211 1.00 4.12 H new ATOM 0 HG LEU A 100 -3.110 5.049 2.339 1.00 51.14 H new ATOM 0 HD11 LEU A 100 -3.946 3.878 0.337 1.00 10.43 H new ATOM 0 HD12 LEU A 100 -4.987 3.603 1.754 1.00 10.43 H new ATOM 0 HD13 LEU A 100 -5.494 4.743 0.485 1.00 10.43 H new ATOM 0 HD21 LEU A 100 -2.704 5.989 0.082 1.00 12.51 H new ATOM 0 HD22 LEU A 100 -4.191 6.955 0.226 1.00 12.51 H new ATOM 0 HD23 LEU A 100 -2.821 7.263 1.319 1.00 12.51 H new ATOM 1535 N GLN A 101 -5.947 7.574 5.407 1.00 61.33 N ATOM 1536 CA GLN A 101 -6.976 8.353 6.108 1.00 24.45 C ATOM 1537 C GLN A 101 -6.362 9.532 6.887 1.00 74.12 C ATOM 1538 O GLN A 101 -6.841 10.662 6.783 1.00 30.14 O ATOM 1539 CB GLN A 101 -7.815 7.455 7.037 1.00 1.22 C ATOM 1540 CG GLN A 101 -7.012 6.701 8.091 1.00 32.32 C ATOM 1541 CD GLN A 101 -7.880 5.825 8.983 1.00 4.14 C ATOM 1542 OE1 GLN A 101 -8.131 4.661 8.679 1.00 60.44 O ATOM 1543 NE2 GLN A 101 -8.350 6.374 10.086 1.00 73.23 N ATOM 0 H GLN A 101 -5.791 6.639 5.785 1.00 61.33 H new ATOM 0 HA GLN A 101 -7.641 8.770 5.351 1.00 24.45 H new ATOM 0 HB2 GLN A 101 -8.560 8.072 7.540 1.00 1.22 H new ATOM 0 HB3 GLN A 101 -8.358 6.732 6.428 1.00 1.22 H new ATOM 0 HG2 GLN A 101 -6.266 6.080 7.596 1.00 32.32 H new ATOM 0 HG3 GLN A 101 -6.471 7.417 8.709 1.00 32.32 H new ATOM 0 HE21 GLN A 101 -8.123 7.343 10.310 1.00 73.23 H new ATOM 0 HE22 GLN A 101 -8.940 5.830 10.715 1.00 73.23 H new ATOM 1552 N GLU A 102 -5.286 9.279 7.641 1.00 51.22 N ATOM 1553 CA GLU A 102 -4.615 10.346 8.404 1.00 3.24 C ATOM 1554 C GLU A 102 -4.038 11.422 7.465 1.00 61.44 C ATOM 1555 O GLU A 102 -3.935 12.595 7.835 1.00 2.31 O ATOM 1556 CB GLU A 102 -3.508 9.766 9.307 1.00 51.21 C ATOM 1557 CG GLU A 102 -2.364 9.091 8.551 1.00 62.42 C ATOM 1558 CD GLU A 102 -1.322 8.458 9.470 1.00 1.02 C ATOM 1559 OE1 GLU A 102 -1.685 7.562 10.259 1.00 1.13 O ATOM 1560 OE2 GLU A 102 -0.131 8.839 9.393 1.00 64.11 O ATOM 0 H GLU A 102 -4.862 8.357 7.741 1.00 51.22 H new ATOM 0 HA GLU A 102 -5.363 10.818 9.040 1.00 3.24 H new ATOM 0 HB2 GLU A 102 -3.098 10.569 9.920 1.00 51.21 H new ATOM 0 HB3 GLU A 102 -3.954 9.041 9.988 1.00 51.21 H new ATOM 0 HG2 GLU A 102 -2.774 8.323 7.896 1.00 62.42 H new ATOM 0 HG3 GLU A 102 -1.876 9.827 7.913 1.00 62.42 H new ATOM 1567 N LEU A 103 -3.685 11.022 6.242 1.00 22.31 N ATOM 1568 CA LEU A 103 -3.190 11.964 5.232 1.00 32.51 C ATOM 1569 C LEU A 103 -4.288 12.934 4.774 1.00 42.42 C ATOM 1570 O LEU A 103 -4.172 14.145 4.949 1.00 31.44 O ATOM 1571 CB LEU A 103 -2.642 11.207 4.014 1.00 1.14 C ATOM 1572 CG LEU A 103 -2.086 12.099 2.889 1.00 44.30 C ATOM 1573 CD1 LEU A 103 -0.880 12.901 3.375 1.00 34.02 C ATOM 1574 CD2 LEU A 103 -1.727 11.262 1.665 1.00 22.14 C ATOM 0 H LEU A 103 -3.732 10.053 5.926 1.00 22.31 H new ATOM 0 HA LEU A 103 -2.391 12.542 5.695 1.00 32.51 H new ATOM 0 HB2 LEU A 103 -1.852 10.535 4.348 1.00 1.14 H new ATOM 0 HB3 LEU A 103 -3.437 10.585 3.604 1.00 1.14 H new ATOM 0 HG LEU A 103 -2.864 12.806 2.600 1.00 44.30 H new ATOM 0 HD11 LEU A 103 -0.505 13.523 2.562 1.00 34.02 H new ATOM 0 HD12 LEU A 103 -1.177 13.535 4.210 1.00 34.02 H new ATOM 0 HD13 LEU A 103 -0.096 12.218 3.700 1.00 34.02 H new ATOM 0 HD21 LEU A 103 -1.336 11.912 0.882 1.00 22.14 H new ATOM 0 HD22 LEU A 103 -0.971 10.526 1.937 1.00 22.14 H new ATOM 0 HD23 LEU A 103 -2.617 10.750 1.301 1.00 22.14 H new ATOM 1586 N GLN A 104 -5.357 12.392 4.196 1.00 4.32 N ATOM 1587 CA GLN A 104 -6.407 13.213 3.574 1.00 53.53 C ATOM 1588 C GLN A 104 -7.128 14.131 4.581 1.00 71.42 C ATOM 1589 O GLN A 104 -7.641 15.187 4.204 1.00 52.12 O ATOM 1590 CB GLN A 104 -7.418 12.316 2.846 1.00 13.23 C ATOM 1591 CG GLN A 104 -8.181 11.359 3.759 1.00 50.10 C ATOM 1592 CD GLN A 104 -9.051 10.380 2.985 1.00 62.21 C ATOM 1593 OE1 GLN A 104 -10.207 10.658 2.682 1.00 25.24 O ATOM 1594 NE2 GLN A 104 -8.501 9.228 2.654 1.00 4.41 N ATOM 0 H GLN A 104 -5.524 11.387 4.142 1.00 4.32 H new ATOM 0 HA GLN A 104 -5.914 13.867 2.855 1.00 53.53 H new ATOM 0 HB2 GLN A 104 -8.135 12.948 2.321 1.00 13.23 H new ATOM 0 HB3 GLN A 104 -6.891 11.735 2.089 1.00 13.23 H new ATOM 0 HG2 GLN A 104 -7.471 10.803 4.371 1.00 50.10 H new ATOM 0 HG3 GLN A 104 -8.807 11.935 4.441 1.00 50.10 H new ATOM 0 HE21 GLN A 104 -7.537 9.028 2.921 1.00 4.41 H new ATOM 0 HE22 GLN A 104 -9.039 8.537 2.131 1.00 4.41 H new ATOM 1603 N VAL A 105 -7.170 13.739 5.855 1.00 5.21 N ATOM 1604 CA VAL A 105 -7.848 14.549 6.880 1.00 32.03 C ATOM 1605 C VAL A 105 -6.936 15.639 7.478 1.00 15.41 C ATOM 1606 O VAL A 105 -7.425 16.640 8.008 1.00 23.33 O ATOM 1607 CB VAL A 105 -8.404 13.668 8.033 1.00 31.24 C ATOM 1608 CG1 VAL A 105 -9.384 12.628 7.496 1.00 42.05 C ATOM 1609 CG2 VAL A 105 -7.270 13.006 8.820 1.00 1.24 C ATOM 0 H VAL A 105 -6.750 12.877 6.204 1.00 5.21 H new ATOM 0 HA VAL A 105 -8.675 15.038 6.364 1.00 32.03 H new ATOM 0 HB VAL A 105 -8.946 14.317 8.721 1.00 31.24 H new ATOM 0 HG11 VAL A 105 -9.760 12.023 8.321 1.00 42.05 H new ATOM 0 HG12 VAL A 105 -10.217 13.132 7.006 1.00 42.05 H new ATOM 0 HG13 VAL A 105 -8.875 11.986 6.777 1.00 42.05 H new ATOM 0 HG21 VAL A 105 -7.690 12.396 9.620 1.00 1.24 H new ATOM 0 HG22 VAL A 105 -6.684 12.375 8.152 1.00 1.24 H new ATOM 0 HG23 VAL A 105 -6.628 13.775 9.249 1.00 1.24 H new ATOM 1619 N SER A 106 -5.616 15.450 7.395 1.00 53.52 N ATOM 1620 CA SER A 106 -4.658 16.387 8.019 1.00 44.30 C ATOM 1621 C SER A 106 -3.948 17.285 6.993 1.00 21.11 C ATOM 1622 O SER A 106 -3.824 18.493 7.198 1.00 22.25 O ATOM 1623 CB SER A 106 -3.605 15.614 8.826 1.00 72.21 C ATOM 1624 OG SER A 106 -2.670 16.494 9.433 1.00 15.55 O ATOM 0 H SER A 106 -5.182 14.666 6.908 1.00 53.52 H new ATOM 0 HA SER A 106 -5.241 17.032 8.677 1.00 44.30 H new ATOM 0 HB2 SER A 106 -4.098 15.018 9.594 1.00 72.21 H new ATOM 0 HB3 SER A 106 -3.080 14.919 8.171 1.00 72.21 H new ATOM 0 HG SER A 106 -2.013 15.974 9.941 1.00 15.55 H new ATOM 1630 N SER A 107 -3.504 16.686 5.888 1.00 24.41 N ATOM 1631 CA SER A 107 -2.705 17.389 4.866 1.00 74.01 C ATOM 1632 C SER A 107 -3.345 18.711 4.415 1.00 72.42 C ATOM 1633 O SER A 107 -2.752 19.779 4.574 1.00 34.01 O ATOM 1634 CB SER A 107 -2.494 16.486 3.642 1.00 23.11 C ATOM 1635 OG SER A 107 -3.733 16.124 3.049 1.00 53.43 O ATOM 0 H SER A 107 -3.683 15.706 5.670 1.00 24.41 H new ATOM 0 HA SER A 107 -1.748 17.627 5.330 1.00 74.01 H new ATOM 0 HB2 SER A 107 -1.874 17.002 2.909 1.00 23.11 H new ATOM 0 HB3 SER A 107 -1.954 15.587 3.939 1.00 23.11 H new ATOM 0 HG SER A 107 -4.136 15.389 3.557 1.00 53.43 H new ATOM 1641 N ALA A 108 -4.539 18.626 3.821 1.00 25.21 N ATOM 1642 CA ALA A 108 -5.256 19.810 3.315 1.00 55.54 C ATOM 1643 C ALA A 108 -4.432 20.566 2.252 1.00 33.30 C ATOM 1644 O ALA A 108 -4.709 21.729 1.938 1.00 1.50 O ATOM 1645 CB ALA A 108 -5.632 20.742 4.470 1.00 53.03 C ATOM 0 H ALA A 108 -5.035 17.747 3.676 1.00 25.21 H new ATOM 0 HA ALA A 108 -6.170 19.462 2.833 1.00 55.54 H new ATOM 0 HB1 ALA A 108 -6.161 21.611 4.079 1.00 53.03 H new ATOM 0 HB2 ALA A 108 -6.276 20.211 5.171 1.00 53.03 H new ATOM 0 HB3 ALA A 108 -4.728 21.068 4.983 1.00 53.03 H new ATOM 1651 N ALA A 109 -3.434 19.889 1.686 1.00 1.13 N ATOM 1652 CA ALA A 109 -2.544 20.486 0.685 1.00 53.24 C ATOM 1653 C ALA A 109 -2.945 20.072 -0.740 1.00 21.11 C ATOM 1654 O ALA A 109 -3.440 18.966 -0.962 1.00 34.34 O ATOM 1655 CB ALA A 109 -1.099 20.082 0.970 1.00 23.54 C ATOM 0 H ALA A 109 -3.218 18.916 1.905 1.00 1.13 H new ATOM 0 HA ALA A 109 -2.634 21.570 0.752 1.00 53.24 H new ATOM 0 HB1 ALA A 109 -0.442 20.528 0.223 1.00 23.54 H new ATOM 0 HB2 ALA A 109 -0.812 20.432 1.961 1.00 23.54 H new ATOM 0 HB3 ALA A 109 -1.010 18.996 0.929 1.00 23.54 H new ATOM 1661 N ALA A 110 -2.731 20.970 -1.702 1.00 20.22 N ATOM 1662 CA ALA A 110 -3.036 20.686 -3.110 1.00 64.22 C ATOM 1663 C ALA A 110 -2.080 19.632 -3.694 1.00 33.43 C ATOM 1664 O ALA A 110 -2.472 18.808 -4.525 1.00 63.04 O ATOM 1665 CB ALA A 110 -2.972 21.973 -3.927 1.00 54.41 C ATOM 0 H ALA A 110 -2.348 21.900 -1.535 1.00 20.22 H new ATOM 0 HA ALA A 110 -4.046 20.278 -3.161 1.00 64.22 H new ATOM 0 HB1 ALA A 110 -3.199 21.753 -4.970 1.00 54.41 H new ATOM 0 HB2 ALA A 110 -3.699 22.687 -3.539 1.00 54.41 H new ATOM 0 HB3 ALA A 110 -1.972 22.400 -3.856 1.00 54.41 H new ATOM 1671 N GLY A 111 -0.824 19.668 -3.253 1.00 74.03 N ATOM 1672 CA GLY A 111 0.176 18.718 -3.734 1.00 21.32 C ATOM 1673 C GLY A 111 1.588 19.088 -3.299 1.00 13.22 C ATOM 1674 O GLY A 111 2.426 19.463 -4.122 1.00 21.40 O ATOM 0 H GLY A 111 -0.477 20.340 -2.568 1.00 74.03 H new ATOM 0 HA2 GLY A 111 -0.066 17.722 -3.363 1.00 21.32 H new ATOM 0 HA3 GLY A 111 0.135 18.672 -4.822 1.00 21.32 H new ATOM 1678 N VAL A 112 1.852 18.980 -1.998 1.00 4.03 N ATOM 1679 CA VAL A 112 3.143 19.382 -1.431 1.00 63.30 C ATOM 1680 C VAL A 112 3.845 18.211 -0.721 1.00 63.33 C ATOM 1681 O VAL A 112 3.274 17.593 0.180 1.00 53.12 O ATOM 1682 CB VAL A 112 2.963 20.546 -0.423 1.00 41.41 C ATOM 1683 CG1 VAL A 112 4.312 21.010 0.116 1.00 55.33 C ATOM 1684 CG2 VAL A 112 2.204 21.708 -1.061 1.00 54.44 C ATOM 0 H VAL A 112 1.189 18.617 -1.313 1.00 4.03 H new ATOM 0 HA VAL A 112 3.765 19.709 -2.265 1.00 63.30 H new ATOM 0 HB VAL A 112 2.372 20.177 0.415 1.00 41.41 H new ATOM 0 HG11 VAL A 112 4.160 21.827 0.821 1.00 55.33 H new ATOM 0 HG12 VAL A 112 4.806 20.181 0.622 1.00 55.33 H new ATOM 0 HG13 VAL A 112 4.935 21.354 -0.710 1.00 55.33 H new ATOM 0 HG21 VAL A 112 2.091 22.512 -0.334 1.00 54.44 H new ATOM 0 HG22 VAL A 112 2.759 22.075 -1.924 1.00 54.44 H new ATOM 0 HG23 VAL A 112 1.219 21.367 -1.381 1.00 54.44 H new ATOM 1694 N PRO A 113 5.090 17.880 -1.123 1.00 34.02 N ATOM 1695 CA PRO A 113 5.896 16.852 -0.450 1.00 2.44 C ATOM 1696 C PRO A 113 6.629 17.397 0.792 1.00 21.24 C ATOM 1697 O PRO A 113 6.809 18.608 0.940 1.00 72.23 O ATOM 1698 CB PRO A 113 6.896 16.449 -1.540 1.00 53.31 C ATOM 1699 CG PRO A 113 7.119 17.706 -2.314 1.00 70.31 C ATOM 1700 CD PRO A 113 5.807 18.463 -2.280 1.00 72.44 C ATOM 0 HA PRO A 113 5.292 16.028 -0.071 1.00 2.44 H new ATOM 0 HB2 PRO A 113 7.825 16.076 -1.110 1.00 53.31 H new ATOM 0 HB3 PRO A 113 6.497 15.657 -2.173 1.00 53.31 H new ATOM 0 HG2 PRO A 113 7.921 18.298 -1.873 1.00 70.31 H new ATOM 0 HG3 PRO A 113 7.414 17.484 -3.340 1.00 70.31 H new ATOM 0 HD2 PRO A 113 5.967 19.534 -2.153 1.00 72.44 H new ATOM 0 HD3 PRO A 113 5.246 18.332 -3.205 1.00 72.44 H new ATOM 1708 N GLY A 114 7.028 16.504 1.698 1.00 2.24 N ATOM 1709 CA GLY A 114 7.800 16.911 2.874 1.00 13.03 C ATOM 1710 C GLY A 114 6.985 17.624 3.962 1.00 43.11 C ATOM 1711 O GLY A 114 7.356 17.576 5.137 1.00 2.32 O ATOM 0 H GLY A 114 6.833 15.504 1.643 1.00 2.24 H new ATOM 0 HA2 GLY A 114 8.266 16.027 3.309 1.00 13.03 H new ATOM 0 HA3 GLY A 114 8.606 17.571 2.552 1.00 13.03 H new ATOM 1715 N THR A 115 5.887 18.284 3.579 1.00 15.33 N ATOM 1716 CA THR A 115 5.056 19.057 4.526 1.00 74.55 C ATOM 1717 C THR A 115 4.597 18.227 5.744 1.00 33.03 C ATOM 1718 O THR A 115 4.576 18.727 6.869 1.00 13.02 O ATOM 1719 CB THR A 115 3.810 19.670 3.831 1.00 31.02 C ATOM 1720 OG1 THR A 115 2.967 20.317 4.797 1.00 41.13 O ATOM 1721 CG2 THR A 115 3.005 18.612 3.084 1.00 52.53 C ATOM 0 H THR A 115 5.547 18.302 2.618 1.00 15.33 H new ATOM 0 HA THR A 115 5.702 19.858 4.886 1.00 74.55 H new ATOM 0 HB THR A 115 4.169 20.402 3.108 1.00 31.02 H new ATOM 0 HG1 THR A 115 2.186 20.700 4.345 1.00 41.13 H new ATOM 0 HG21 THR A 115 2.141 19.079 2.611 1.00 52.53 H new ATOM 0 HG22 THR A 115 3.631 18.150 2.321 1.00 52.53 H new ATOM 0 HG23 THR A 115 2.666 17.850 3.786 1.00 52.53 H new ATOM 1729 N ASN A 116 4.239 16.963 5.522 1.00 54.14 N ATOM 1730 CA ASN A 116 3.806 16.079 6.616 1.00 75.54 C ATOM 1731 C ASN A 116 4.478 14.695 6.533 1.00 4.00 C ATOM 1732 O ASN A 116 4.621 14.131 5.444 1.00 73.21 O ATOM 1733 CB ASN A 116 2.277 15.927 6.614 1.00 70.12 C ATOM 1734 CG ASN A 116 1.741 15.384 5.302 1.00 51.33 C ATOM 1735 OD1 ASN A 116 1.651 14.180 5.104 1.00 1.14 O ATOM 1736 ND2 ASN A 116 1.372 16.267 4.397 1.00 62.24 N ATOM 0 H ASN A 116 4.238 16.525 4.601 1.00 54.14 H new ATOM 0 HA ASN A 116 4.116 16.544 7.552 1.00 75.54 H new ATOM 0 HB2 ASN A 116 1.982 15.261 7.425 1.00 70.12 H new ATOM 0 HB3 ASN A 116 1.820 16.896 6.815 1.00 70.12 H new ATOM 0 HD21 ASN A 116 0.999 15.953 3.501 1.00 62.24 H new ATOM 0 HD22 ASN A 116 1.459 17.264 4.592 1.00 62.24 H new ATOM 1743 N PRO A 117 4.894 14.127 7.689 1.00 50.40 N ATOM 1744 CA PRO A 117 5.539 12.796 7.746 1.00 64.32 C ATOM 1745 C PRO A 117 4.666 11.671 7.162 1.00 12.33 C ATOM 1746 O PRO A 117 5.179 10.635 6.736 1.00 14.10 O ATOM 1747 CB PRO A 117 5.767 12.571 9.252 1.00 62.43 C ATOM 1748 CG PRO A 117 5.769 13.940 9.845 1.00 61.52 C ATOM 1749 CD PRO A 117 4.788 14.737 9.028 1.00 13.43 C ATOM 0 HA PRO A 117 6.451 12.772 7.149 1.00 64.32 H new ATOM 0 HB2 PRO A 117 4.979 11.954 9.684 1.00 62.43 H new ATOM 0 HB3 PRO A 117 6.711 12.058 9.437 1.00 62.43 H new ATOM 0 HG2 PRO A 117 5.475 13.913 10.894 1.00 61.52 H new ATOM 0 HG3 PRO A 117 6.764 14.383 9.804 1.00 61.52 H new ATOM 0 HD2 PRO A 117 3.776 14.661 9.426 1.00 13.43 H new ATOM 0 HD3 PRO A 117 5.045 15.796 9.010 1.00 13.43 H new ATOM 1757 N VAL A 118 3.351 11.889 7.131 1.00 61.13 N ATOM 1758 CA VAL A 118 2.407 10.889 6.611 1.00 24.31 C ATOM 1759 C VAL A 118 2.756 10.471 5.173 1.00 62.10 C ATOM 1760 O VAL A 118 2.579 9.313 4.788 1.00 34.01 O ATOM 1761 CB VAL A 118 0.952 11.408 6.651 1.00 10.54 C ATOM 1762 CG1 VAL A 118 -0.018 10.313 6.222 1.00 14.25 C ATOM 1763 CG2 VAL A 118 0.602 11.930 8.043 1.00 31.23 C ATOM 0 H VAL A 118 2.911 12.749 7.459 1.00 61.13 H new ATOM 0 HA VAL A 118 2.492 10.018 7.261 1.00 24.31 H new ATOM 0 HB VAL A 118 0.863 12.237 5.948 1.00 10.54 H new ATOM 0 HG11 VAL A 118 -1.038 10.696 6.256 1.00 14.25 H new ATOM 0 HG12 VAL A 118 0.217 9.997 5.206 1.00 14.25 H new ATOM 0 HG13 VAL A 118 0.072 9.462 6.897 1.00 14.25 H new ATOM 0 HG21 VAL A 118 -0.427 12.290 8.048 1.00 31.23 H new ATOM 0 HG22 VAL A 118 0.708 11.125 8.771 1.00 31.23 H new ATOM 0 HG23 VAL A 118 1.274 12.747 8.305 1.00 31.23 H new ATOM 1773 N LEU A 119 3.262 11.418 4.389 1.00 54.25 N ATOM 1774 CA LEU A 119 3.744 11.131 3.034 1.00 74.42 C ATOM 1775 C LEU A 119 4.836 10.046 3.065 1.00 52.02 C ATOM 1776 O LEU A 119 4.894 9.171 2.200 1.00 11.25 O ATOM 1777 CB LEU A 119 4.290 12.417 2.396 1.00 74.14 C ATOM 1778 CG LEU A 119 3.274 13.564 2.274 1.00 4.21 C ATOM 1779 CD1 LEU A 119 3.964 14.854 1.841 1.00 61.30 C ATOM 1780 CD2 LEU A 119 2.153 13.194 1.302 1.00 2.25 C ATOM 0 H LEU A 119 3.351 12.396 4.666 1.00 54.25 H new ATOM 0 HA LEU A 119 2.912 10.760 2.436 1.00 74.42 H new ATOM 0 HB2 LEU A 119 5.139 12.765 2.985 1.00 74.14 H new ATOM 0 HB3 LEU A 119 4.668 12.179 1.402 1.00 74.14 H new ATOM 0 HG LEU A 119 2.830 13.731 3.255 1.00 4.21 H new ATOM 0 HD11 LEU A 119 3.226 15.652 1.761 1.00 61.30 H new ATOM 0 HD12 LEU A 119 4.718 15.129 2.579 1.00 61.30 H new ATOM 0 HD13 LEU A 119 4.442 14.704 0.873 1.00 61.30 H new ATOM 0 HD21 LEU A 119 1.445 14.020 1.231 1.00 2.25 H new ATOM 0 HD22 LEU A 119 2.576 12.993 0.318 1.00 2.25 H new ATOM 0 HD23 LEU A 119 1.637 12.304 1.663 1.00 2.25 H new ATOM 1792 N ASN A 120 5.687 10.107 4.086 1.00 24.31 N ATOM 1793 CA ASN A 120 6.746 9.112 4.277 1.00 54.30 C ATOM 1794 C ASN A 120 6.176 7.801 4.846 1.00 5.43 C ATOM 1795 O ASN A 120 6.687 6.718 4.558 1.00 22.24 O ATOM 1796 CB ASN A 120 7.832 9.666 5.208 1.00 32.23 C ATOM 1797 CG ASN A 120 8.432 10.962 4.693 1.00 70.12 C ATOM 1798 OD1 ASN A 120 8.485 11.202 3.490 1.00 53.01 O ATOM 1799 ND2 ASN A 120 8.894 11.806 5.594 1.00 31.10 N ATOM 0 H ASN A 120 5.666 10.837 4.798 1.00 24.31 H new ATOM 0 HA ASN A 120 7.188 8.896 3.305 1.00 54.30 H new ATOM 0 HB2 ASN A 120 7.407 9.834 6.198 1.00 32.23 H new ATOM 0 HB3 ASN A 120 8.622 8.924 5.322 1.00 32.23 H new ATOM 0 HD21 ASN A 120 9.311 12.689 5.299 1.00 31.10 H new ATOM 0 HD22 ASN A 120 8.835 11.576 6.586 1.00 31.10 H new ATOM 1806 N ASN A 121 5.119 7.905 5.659 1.00 11.24 N ATOM 1807 CA ASN A 121 4.432 6.720 6.189 1.00 62.12 C ATOM 1808 C ASN A 121 3.890 5.853 5.045 1.00 23.04 C ATOM 1809 O ASN A 121 4.044 4.631 5.054 1.00 0.01 O ATOM 1810 CB ASN A 121 3.288 7.114 7.135 1.00 15.04 C ATOM 1811 CG ASN A 121 3.759 7.969 8.295 1.00 73.01 C ATOM 1812 OD1 ASN A 121 4.924 7.937 8.678 1.00 21.35 O ATOM 1813 ND2 ASN A 121 2.850 8.714 8.894 1.00 62.55 N ATOM 0 H ASN A 121 4.721 8.793 5.964 1.00 11.24 H new ATOM 0 HA ASN A 121 5.162 6.143 6.757 1.00 62.12 H new ATOM 0 HB2 ASN A 121 2.528 7.657 6.573 1.00 15.04 H new ATOM 0 HB3 ASN A 121 2.815 6.212 7.522 1.00 15.04 H new ATOM 0 HD21 ASN A 121 3.108 9.285 9.699 1.00 62.55 H new ATOM 0 HD22 ASN A 121 1.889 8.720 8.552 1.00 62.55 H new ATOM 1820 N LEU A 122 3.252 6.492 4.061 1.00 40.14 N ATOM 1821 CA LEU A 122 2.809 5.789 2.851 1.00 63.03 C ATOM 1822 C LEU A 122 3.981 5.074 2.166 1.00 3.55 C ATOM 1823 O LEU A 122 3.881 3.901 1.815 1.00 32.31 O ATOM 1824 CB LEU A 122 2.141 6.760 1.862 1.00 55.02 C ATOM 1825 CG LEU A 122 0.727 7.226 2.245 1.00 63.40 C ATOM 1826 CD1 LEU A 122 0.172 8.182 1.196 1.00 11.21 C ATOM 1827 CD2 LEU A 122 -0.201 6.026 2.416 1.00 3.32 C ATOM 0 H LEU A 122 3.031 7.488 4.076 1.00 40.14 H new ATOM 0 HA LEU A 122 2.077 5.042 3.158 1.00 63.03 H new ATOM 0 HB2 LEU A 122 2.778 7.638 1.756 1.00 55.02 H new ATOM 0 HB3 LEU A 122 2.094 6.280 0.884 1.00 55.02 H new ATOM 0 HG LEU A 122 0.787 7.757 3.195 1.00 63.40 H new ATOM 0 HD11 LEU A 122 -0.829 8.500 1.487 1.00 11.21 H new ATOM 0 HD12 LEU A 122 0.821 9.054 1.119 1.00 11.21 H new ATOM 0 HD13 LEU A 122 0.127 7.677 0.231 1.00 11.21 H new ATOM 0 HD21 LEU A 122 -1.198 6.373 2.687 1.00 3.32 H new ATOM 0 HD22 LEU A 122 -0.252 5.469 1.480 1.00 3.32 H new ATOM 0 HD23 LEU A 122 0.184 5.378 3.203 1.00 3.32 H new ATOM 1839 N LEU A 123 5.095 5.787 1.989 1.00 43.04 N ATOM 1840 CA LEU A 123 6.304 5.206 1.391 1.00 52.52 C ATOM 1841 C LEU A 123 6.747 3.947 2.152 1.00 73.14 C ATOM 1842 O LEU A 123 6.911 2.879 1.561 1.00 72.50 O ATOM 1843 CB LEU A 123 7.440 6.245 1.370 1.00 41.13 C ATOM 1844 CG LEU A 123 8.756 5.779 0.717 1.00 41.21 C ATOM 1845 CD1 LEU A 123 8.533 5.404 -0.748 1.00 74.13 C ATOM 1846 CD2 LEU A 123 9.831 6.860 0.843 1.00 13.31 C ATOM 0 H LEU A 123 5.187 6.769 2.251 1.00 43.04 H new ATOM 0 HA LEU A 123 6.070 4.917 0.366 1.00 52.52 H new ATOM 0 HB2 LEU A 123 7.088 7.132 0.843 1.00 41.13 H new ATOM 0 HB3 LEU A 123 7.651 6.547 2.396 1.00 41.13 H new ATOM 0 HG LEU A 123 9.102 4.890 1.244 1.00 41.21 H new ATOM 0 HD11 LEU A 123 9.476 5.078 -1.188 1.00 74.13 H new ATOM 0 HD12 LEU A 123 7.805 4.595 -0.810 1.00 74.13 H new ATOM 0 HD13 LEU A 123 8.159 6.271 -1.293 1.00 74.13 H new ATOM 0 HD21 LEU A 123 10.753 6.513 0.376 1.00 13.31 H new ATOM 0 HD22 LEU A 123 9.493 7.769 0.346 1.00 13.31 H new ATOM 0 HD23 LEU A 123 10.015 7.069 1.897 1.00 13.31 H new ATOM 1858 N SER A 124 6.906 4.077 3.467 1.00 63.32 N ATOM 1859 CA SER A 124 7.317 2.949 4.322 1.00 33.24 C ATOM 1860 C SER A 124 6.347 1.761 4.201 1.00 44.33 C ATOM 1861 O SER A 124 6.772 0.609 4.068 1.00 32.33 O ATOM 1862 CB SER A 124 7.404 3.394 5.786 1.00 30.25 C ATOM 1863 OG SER A 124 7.818 2.330 6.631 1.00 24.40 O ATOM 0 H SER A 124 6.758 4.951 3.971 1.00 63.32 H new ATOM 0 HA SER A 124 8.299 2.622 3.980 1.00 33.24 H new ATOM 0 HB2 SER A 124 8.106 4.224 5.874 1.00 30.25 H new ATOM 0 HB3 SER A 124 6.432 3.763 6.113 1.00 30.25 H new ATOM 0 HG SER A 124 7.865 2.647 7.557 1.00 24.40 H new ATOM 1869 N CYS A 125 5.044 2.050 4.239 1.00 33.01 N ATOM 1870 CA CYS A 125 4.008 1.011 4.105 1.00 0.24 C ATOM 1871 C CYS A 125 4.103 0.286 2.755 1.00 62.44 C ATOM 1872 O CYS A 125 4.069 -0.941 2.699 1.00 21.22 O ATOM 1873 CB CYS A 125 2.604 1.618 4.268 1.00 11.02 C ATOM 1874 SG CYS A 125 2.301 2.372 5.888 1.00 2.30 S ATOM 0 H CYS A 125 4.677 2.994 4.361 1.00 33.01 H new ATOM 0 HA CYS A 125 4.179 0.282 4.897 1.00 0.24 H new ATOM 0 HB2 CYS A 125 2.455 2.373 3.496 1.00 11.02 H new ATOM 0 HB3 CYS A 125 1.862 0.838 4.099 1.00 11.02 H new ATOM 0 HG CYS A 125 2.942 3.500 5.968 1.00 2.30 H new ATOM 1880 N VAL A 126 4.223 1.049 1.667 1.00 52.12 N ATOM 1881 CA VAL A 126 4.365 0.469 0.322 1.00 4.02 C ATOM 1882 C VAL A 126 5.610 -0.427 0.232 1.00 10.01 C ATOM 1883 O VAL A 126 5.561 -1.523 -0.338 1.00 71.35 O ATOM 1884 CB VAL A 126 4.442 1.571 -0.769 1.00 45.14 C ATOM 1885 CG1 VAL A 126 4.679 0.966 -2.155 1.00 70.44 C ATOM 1886 CG2 VAL A 126 3.171 2.418 -0.769 1.00 60.23 C ATOM 0 H VAL A 126 4.225 2.069 1.686 1.00 52.12 H new ATOM 0 HA VAL A 126 3.477 -0.137 0.144 1.00 4.02 H new ATOM 0 HB VAL A 126 5.290 2.213 -0.532 1.00 45.14 H new ATOM 0 HG11 VAL A 126 4.728 1.763 -2.897 1.00 70.44 H new ATOM 0 HG12 VAL A 126 5.618 0.413 -2.155 1.00 70.44 H new ATOM 0 HG13 VAL A 126 3.860 0.291 -2.402 1.00 70.44 H new ATOM 0 HG21 VAL A 126 3.245 3.185 -1.540 1.00 60.23 H new ATOM 0 HG22 VAL A 126 2.310 1.781 -0.971 1.00 60.23 H new ATOM 0 HG23 VAL A 126 3.051 2.893 0.204 1.00 60.23 H new ATOM 1896 N GLN A 127 6.721 0.043 0.801 1.00 33.13 N ATOM 1897 CA GLN A 127 7.961 -0.740 0.852 1.00 63.33 C ATOM 1898 C GLN A 127 7.737 -2.077 1.576 1.00 11.43 C ATOM 1899 O GLN A 127 8.194 -3.122 1.117 1.00 5.55 O ATOM 1900 CB GLN A 127 9.071 0.054 1.563 1.00 14.10 C ATOM 1901 CG GLN A 127 9.467 1.347 0.854 1.00 34.31 C ATOM 1902 CD GLN A 127 10.454 2.180 1.661 1.00 30.03 C ATOM 1903 OE1 GLN A 127 10.461 2.144 2.887 1.00 34.11 O ATOM 1904 NE2 GLN A 127 11.282 2.947 0.982 1.00 75.24 N ATOM 0 H GLN A 127 6.790 0.964 1.234 1.00 33.13 H new ATOM 0 HA GLN A 127 8.269 -0.945 -0.173 1.00 63.33 H new ATOM 0 HB2 GLN A 127 8.741 0.293 2.574 1.00 14.10 H new ATOM 0 HB3 GLN A 127 9.952 -0.580 1.658 1.00 14.10 H new ATOM 0 HG2 GLN A 127 9.907 1.106 -0.114 1.00 34.31 H new ATOM 0 HG3 GLN A 127 8.572 1.939 0.659 1.00 34.31 H new ATOM 0 HE21 GLN A 127 11.251 2.954 -0.037 1.00 75.24 H new ATOM 0 HE22 GLN A 127 11.954 3.534 1.476 1.00 75.24 H new ATOM 1913 N GLU A 128 7.033 -2.029 2.710 1.00 70.40 N ATOM 1914 CA GLU A 128 6.707 -3.235 3.486 1.00 40.11 C ATOM 1915 C GLU A 128 5.834 -4.205 2.671 1.00 1.24 C ATOM 1916 O GLU A 128 6.180 -5.374 2.500 1.00 24.33 O ATOM 1917 CB GLU A 128 5.979 -2.846 4.785 1.00 54.31 C ATOM 1918 CG GLU A 128 5.717 -4.015 5.733 1.00 35.24 C ATOM 1919 CD GLU A 128 6.987 -4.557 6.375 1.00 11.33 C ATOM 1920 OE1 GLU A 128 7.369 -4.064 7.456 1.00 74.13 O ATOM 1921 OE2 GLU A 128 7.611 -5.478 5.807 1.00 33.14 O ATOM 0 H GLU A 128 6.675 -1.164 3.115 1.00 70.40 H new ATOM 0 HA GLU A 128 7.642 -3.740 3.730 1.00 40.11 H new ATOM 0 HB2 GLU A 128 6.571 -2.095 5.308 1.00 54.31 H new ATOM 0 HB3 GLU A 128 5.027 -2.381 4.529 1.00 54.31 H new ATOM 0 HG2 GLU A 128 5.030 -3.694 6.516 1.00 35.24 H new ATOM 0 HG3 GLU A 128 5.223 -4.817 5.184 1.00 35.24 H new ATOM 1928 N ILE A 129 4.710 -3.702 2.157 1.00 44.30 N ATOM 1929 CA ILE A 129 3.779 -4.519 1.364 1.00 30.33 C ATOM 1930 C ILE A 129 4.492 -5.217 0.193 1.00 53.13 C ATOM 1931 O ILE A 129 4.412 -6.438 0.040 1.00 2.33 O ATOM 1932 CB ILE A 129 2.612 -3.658 0.812 1.00 15.42 C ATOM 1933 CG1 ILE A 129 1.803 -3.049 1.970 1.00 72.02 C ATOM 1934 CG2 ILE A 129 1.706 -4.489 -0.099 1.00 13.54 C ATOM 1935 CD1 ILE A 129 0.682 -2.131 1.524 1.00 21.42 C ATOM 0 H ILE A 129 4.419 -2.731 2.274 1.00 44.30 H new ATOM 0 HA ILE A 129 3.380 -5.280 2.034 1.00 30.33 H new ATOM 0 HB ILE A 129 3.035 -2.847 0.219 1.00 15.42 H new ATOM 0 HG12 ILE A 129 1.381 -3.856 2.569 1.00 72.02 H new ATOM 0 HG13 ILE A 129 2.479 -2.491 2.618 1.00 72.02 H new ATOM 0 HG21 ILE A 129 0.895 -3.864 -0.474 1.00 13.54 H new ATOM 0 HG22 ILE A 129 2.287 -4.872 -0.938 1.00 13.54 H new ATOM 0 HG23 ILE A 129 1.290 -5.324 0.465 1.00 13.54 H new ATOM 0 HD11 ILE A 129 0.160 -1.743 2.399 1.00 21.42 H new ATOM 0 HD12 ILE A 129 1.097 -1.302 0.951 1.00 21.42 H new ATOM 0 HD13 ILE A 129 -0.018 -2.688 0.901 1.00 21.42 H new ATOM 1947 N SER A 130 5.192 -4.435 -0.629 1.00 23.31 N ATOM 1948 CA SER A 130 5.949 -4.987 -1.763 1.00 24.13 C ATOM 1949 C SER A 130 6.972 -6.028 -1.289 1.00 51.11 C ATOM 1950 O SER A 130 7.061 -7.125 -1.844 1.00 72.13 O ATOM 1951 CB SER A 130 6.667 -3.863 -2.527 1.00 52.22 C ATOM 1952 OG SER A 130 7.426 -4.379 -3.612 1.00 74.51 O ATOM 0 H SER A 130 5.253 -3.421 -0.535 1.00 23.31 H new ATOM 0 HA SER A 130 5.240 -5.477 -2.430 1.00 24.13 H new ATOM 0 HB2 SER A 130 5.934 -3.148 -2.901 1.00 52.22 H new ATOM 0 HB3 SER A 130 7.323 -3.320 -1.847 1.00 52.22 H new ATOM 0 HG SER A 130 7.871 -3.642 -4.080 1.00 74.51 H new ATOM 1958 N ASP A 131 7.717 -5.685 -0.239 1.00 14.41 N ATOM 1959 CA ASP A 131 8.756 -6.560 0.313 1.00 5.21 C ATOM 1960 C ASP A 131 8.175 -7.924 0.729 1.00 4.22 C ATOM 1961 O ASP A 131 8.737 -8.970 0.400 1.00 30.44 O ATOM 1962 CB ASP A 131 9.420 -5.869 1.508 1.00 12.31 C ATOM 1963 CG ASP A 131 10.665 -6.586 2.000 1.00 12.45 C ATOM 1964 OD1 ASP A 131 10.536 -7.546 2.782 1.00 51.33 O ATOM 1965 OD2 ASP A 131 11.783 -6.188 1.609 1.00 63.23 O ATOM 0 H ASP A 131 7.620 -4.797 0.253 1.00 14.41 H new ATOM 0 HA ASP A 131 9.503 -6.746 -0.459 1.00 5.21 H new ATOM 0 HB2 ASP A 131 9.683 -4.849 1.229 1.00 12.31 H new ATOM 0 HB3 ASP A 131 8.702 -5.801 2.325 1.00 12.31 H new ATOM 1970 N VAL A 132 7.043 -7.901 1.439 1.00 5.35 N ATOM 1971 CA VAL A 132 6.362 -9.130 1.871 1.00 62.55 C ATOM 1972 C VAL A 132 6.012 -10.035 0.676 1.00 61.54 C ATOM 1973 O VAL A 132 6.217 -11.250 0.722 1.00 43.10 O ATOM 1974 CB VAL A 132 5.071 -8.809 2.672 1.00 53.43 C ATOM 1975 CG1 VAL A 132 4.315 -10.088 3.032 1.00 75.22 C ATOM 1976 CG2 VAL A 132 5.402 -8.013 3.933 1.00 64.14 C ATOM 0 H VAL A 132 6.576 -7.042 1.729 1.00 5.35 H new ATOM 0 HA VAL A 132 7.058 -9.662 2.519 1.00 62.55 H new ATOM 0 HB VAL A 132 4.426 -8.201 2.037 1.00 53.43 H new ATOM 0 HG11 VAL A 132 3.415 -9.833 3.592 1.00 75.22 H new ATOM 0 HG12 VAL A 132 4.037 -10.615 2.119 1.00 75.22 H new ATOM 0 HG13 VAL A 132 4.953 -10.728 3.641 1.00 75.22 H new ATOM 0 HG21 VAL A 132 4.484 -7.799 4.479 1.00 64.14 H new ATOM 0 HG22 VAL A 132 6.073 -8.595 4.565 1.00 64.14 H new ATOM 0 HG23 VAL A 132 5.886 -7.077 3.656 1.00 64.14 H new ATOM 1986 N VAL A 133 5.489 -9.433 -0.390 1.00 10.24 N ATOM 1987 CA VAL A 133 5.151 -10.175 -1.614 1.00 34.54 C ATOM 1988 C VAL A 133 6.405 -10.796 -2.259 1.00 22.23 C ATOM 1989 O VAL A 133 6.358 -11.899 -2.810 1.00 62.35 O ATOM 1990 CB VAL A 133 4.443 -9.258 -2.645 1.00 41.21 C ATOM 1991 CG1 VAL A 133 4.073 -10.035 -3.907 1.00 53.13 C ATOM 1992 CG2 VAL A 133 3.206 -8.607 -2.027 1.00 63.30 C ATOM 0 H VAL A 133 5.288 -8.434 -0.436 1.00 10.24 H new ATOM 0 HA VAL A 133 4.472 -10.976 -1.323 1.00 34.54 H new ATOM 0 HB VAL A 133 5.139 -8.469 -2.929 1.00 41.21 H new ATOM 0 HG11 VAL A 133 3.578 -9.368 -4.613 1.00 53.13 H new ATOM 0 HG12 VAL A 133 4.976 -10.440 -4.363 1.00 53.13 H new ATOM 0 HG13 VAL A 133 3.400 -10.852 -3.647 1.00 53.13 H new ATOM 0 HG21 VAL A 133 2.724 -7.968 -2.766 1.00 63.30 H new ATOM 0 HG22 VAL A 133 2.509 -9.381 -1.707 1.00 63.30 H new ATOM 0 HG23 VAL A 133 3.502 -8.007 -1.167 1.00 63.30 H new ATOM 2002 N GLN A 134 7.528 -10.084 -2.164 1.00 15.01 N ATOM 2003 CA GLN A 134 8.799 -10.543 -2.741 1.00 43.31 C ATOM 2004 C GLN A 134 9.452 -11.663 -1.903 1.00 75.34 C ATOM 2005 O GLN A 134 10.506 -12.186 -2.274 1.00 71.10 O ATOM 2006 CB GLN A 134 9.779 -9.364 -2.871 1.00 74.12 C ATOM 2007 CG GLN A 134 9.240 -8.194 -3.690 1.00 14.13 C ATOM 2008 CD GLN A 134 10.242 -7.061 -3.847 1.00 53.31 C ATOM 2009 OE1 GLN A 134 11.453 -7.273 -3.853 1.00 73.44 O ATOM 2010 NE2 GLN A 134 9.748 -5.847 -3.958 1.00 34.34 N ATOM 0 H GLN A 134 7.587 -9.182 -1.691 1.00 15.01 H new ATOM 0 HA GLN A 134 8.573 -10.952 -3.726 1.00 43.31 H new ATOM 0 HB2 GLN A 134 10.036 -9.008 -1.874 1.00 74.12 H new ATOM 0 HB3 GLN A 134 10.701 -9.721 -3.330 1.00 74.12 H new ATOM 0 HG2 GLN A 134 8.950 -8.553 -4.677 1.00 14.13 H new ATOM 0 HG3 GLN A 134 8.338 -7.810 -3.213 1.00 14.13 H new ATOM 0 HE21 GLN A 134 8.738 -5.705 -3.950 1.00 34.34 H new ATOM 0 HE22 GLN A 134 10.375 -5.048 -4.053 1.00 34.34 H new ATOM 2019 N ARG A 135 8.831 -12.027 -0.778 1.00 55.32 N ATOM 2020 CA ARG A 135 9.377 -13.072 0.109 1.00 11.32 C ATOM 2021 C ARG A 135 8.965 -14.488 -0.344 1.00 14.21 C ATOM 2022 O ARG A 135 9.792 -15.169 -0.994 1.00 38.07 O ATOM 2023 CB ARG A 135 8.941 -12.815 1.563 1.00 2.21 C ATOM 2024 CG ARG A 135 9.410 -11.463 2.081 1.00 4.32 C ATOM 2025 CD ARG A 135 8.942 -11.165 3.501 1.00 70.31 C ATOM 2026 NE ARG A 135 9.266 -9.788 3.874 1.00 12.10 N ATOM 2027 CZ ARG A 135 8.968 -9.223 5.012 1.00 54.12 C ATOM 2028 NH1 ARG A 135 8.391 -9.885 5.963 1.00 71.34 N ATOM 2029 NH2 ARG A 135 9.274 -7.982 5.196 1.00 61.52 N ATOM 2030 OXT ARG A 135 7.823 -14.912 -0.055 1.00 38.07 O ATOM 0 H ARG A 135 7.953 -11.619 -0.456 1.00 55.32 H new ATOM 0 HA ARG A 135 10.464 -13.022 0.050 1.00 11.32 H new ATOM 0 HB2 ARG A 135 7.854 -12.868 1.628 1.00 2.21 H new ATOM 0 HB3 ARG A 135 9.338 -13.603 2.203 1.00 2.21 H new ATOM 0 HG2 ARG A 135 10.499 -11.428 2.050 1.00 4.32 H new ATOM 0 HG3 ARG A 135 9.047 -10.681 1.415 1.00 4.32 H new ATOM 0 HD2 ARG A 135 7.866 -11.324 3.575 1.00 70.31 H new ATOM 0 HD3 ARG A 135 9.415 -11.857 4.198 1.00 70.31 H new ATOM 0 HE ARG A 135 9.766 -9.223 3.188 1.00 12.10 H new ATOM 0 HH11 ARG A 135 8.160 -10.870 5.831 1.00 71.34 H new ATOM 0 HH12 ARG A 135 8.168 -9.422 6.844 1.00 71.34 H new ATOM 0 HH21 ARG A 135 9.742 -7.457 4.457 1.00 61.52 H new ATOM 0 HH22 ARG A 135 9.048 -7.527 6.080 1.00 61.52 H new