USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=25 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 99 SER OG : rot 74:sc= 0.593 USER MOD Set 1.2: A 125 CYS SG : rot 69:sc= -3.22! USER MOD Set 2.1: A 45 CYS SG : rot 150:sc= 2.09 USER MOD Set 2.2: A 72 TYR OH : rot -139:sc= 1.05 USER MOD Set 3.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 127 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc=-0.00112 (180deg=-0.0523) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= 0.162 (180deg=-0.281) USER MOD Single : A 51 SER OG : rot 80:sc= 0.524 USER MOD Single : A 54 THR OG1 : rot -81:sc= 1.24 USER MOD Single : A 59 ASN : amide:sc= -2.6! C(o=-2.6!,f=-6.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.5!) USER MOD Single : A 65 THR OG1 : rot 75:sc= 0.878 USER MOD Single : A 67 HIS : no HE2:sc= -4.34! C(o=-4.3!,f=-6.9!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 73 CYS SG : rot 80:sc= 0.393 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 78:sc= 1.24 USER MOD Single : A 82 GLN : amide:sc= -4.47! K(o=-4.5!,f=-1.4) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.3 K(o=0.3,f=-2.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 70:sc= 1.7 USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= -0.134 (180deg=-0.503) USER MOD Single : A 101 GLN : amide:sc=-0.00308 K(o=-0.0031,f=-0.52) USER MOD Single : A 104 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.51) USER MOD Single : A 106 SER OG : rot 95:sc= 0.236 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -1.88! K(o=-1.9!,f=-1.4) USER MOD Single : A 120 ASN : amide:sc= -0.789 X(o=-0.79,f=-0.65) USER MOD Single : A 121 ASN : amide:sc= -0.674 X(o=-0.67,f=-0.69) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -76:sc= 0.632 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 528 N LYS A 36 -8.353 -12.181 -10.104 1.00 74.55 N ATOM 529 CA LYS A 36 -7.793 -11.458 -11.249 1.00 45.45 C ATOM 530 C LYS A 36 -6.483 -10.752 -10.858 1.00 74.12 C ATOM 531 O LYS A 36 -5.607 -10.536 -11.700 1.00 51.20 O ATOM 532 CB LYS A 36 -8.837 -10.455 -11.787 1.00 54.41 C ATOM 533 CG LYS A 36 -8.322 -9.465 -12.841 1.00 43.24 C ATOM 534 CD LYS A 36 -7.764 -8.187 -12.209 1.00 53.04 C ATOM 535 CE LYS A 36 -7.317 -7.171 -13.255 1.00 63.33 C ATOM 536 NZ LYS A 36 -6.200 -7.679 -14.092 1.00 2.35 N ATOM 0 HA LYS A 36 -7.555 -12.167 -12.042 1.00 45.45 H new ATOM 0 HB2 LYS A 36 -9.667 -11.017 -12.216 1.00 54.41 H new ATOM 0 HB3 LYS A 36 -9.237 -9.888 -10.946 1.00 54.41 H new ATOM 0 HG2 LYS A 36 -7.545 -9.943 -13.437 1.00 43.24 H new ATOM 0 HG3 LYS A 36 -9.133 -9.207 -13.522 1.00 43.24 H new ATOM 0 HD2 LYS A 36 -8.525 -7.738 -11.571 1.00 53.04 H new ATOM 0 HD3 LYS A 36 -6.920 -8.440 -11.568 1.00 53.04 H new ATOM 0 HE2 LYS A 36 -8.162 -6.916 -13.895 1.00 63.33 H new ATOM 0 HE3 LYS A 36 -7.006 -6.253 -12.757 1.00 63.33 H new ATOM 0 HZ1 LYS A 36 -5.874 -6.925 -14.730 1.00 2.35 H new ATOM 0 HZ2 LYS A 36 -5.415 -7.977 -13.479 1.00 2.35 H new ATOM 0 HZ3 LYS A 36 -6.528 -8.491 -14.654 1.00 2.35 H new ATOM 550 N ILE A 37 -6.357 -10.419 -9.572 1.00 23.12 N ATOM 551 CA ILE A 37 -5.187 -9.691 -9.056 1.00 74.25 C ATOM 552 C ILE A 37 -3.881 -10.481 -9.266 1.00 21.14 C ATOM 553 O ILE A 37 -3.621 -11.470 -8.579 1.00 14.03 O ATOM 554 CB ILE A 37 -5.346 -9.368 -7.545 1.00 60.40 C ATOM 555 CG1 ILE A 37 -6.656 -8.594 -7.284 1.00 1.23 C ATOM 556 CG2 ILE A 37 -4.137 -8.583 -7.026 1.00 4.12 C ATOM 557 CD1 ILE A 37 -6.798 -7.317 -8.089 1.00 2.31 C ATOM 0 H ILE A 37 -7.054 -10.642 -8.861 1.00 23.12 H new ATOM 0 HA ILE A 37 -5.129 -8.761 -9.621 1.00 74.25 H new ATOM 0 HB ILE A 37 -5.396 -10.311 -7.001 1.00 60.40 H new ATOM 0 HG12 ILE A 37 -7.500 -9.246 -7.508 1.00 1.23 H new ATOM 0 HG13 ILE A 37 -6.714 -8.349 -6.223 1.00 1.23 H new ATOM 0 HG21 ILE A 37 -4.271 -8.368 -5.966 1.00 4.12 H new ATOM 0 HG22 ILE A 37 -3.232 -9.175 -7.165 1.00 4.12 H new ATOM 0 HG23 ILE A 37 -4.047 -7.647 -7.577 1.00 4.12 H new ATOM 0 HD11 ILE A 37 -7.745 -6.836 -7.845 1.00 2.31 H new ATOM 0 HD12 ILE A 37 -5.976 -6.642 -7.849 1.00 2.31 H new ATOM 0 HD13 ILE A 37 -6.774 -7.553 -9.153 1.00 2.31 H new ATOM 569 N SER A 38 -3.069 -10.037 -10.223 1.00 55.43 N ATOM 570 CA SER A 38 -1.770 -10.665 -10.495 1.00 23.33 C ATOM 571 C SER A 38 -0.672 -10.108 -9.577 1.00 31.22 C ATOM 572 O SER A 38 -0.687 -8.928 -9.212 1.00 74.14 O ATOM 573 CB SER A 38 -1.363 -10.442 -11.959 1.00 32.12 C ATOM 574 OG SER A 38 -2.347 -10.939 -12.853 1.00 25.05 O ATOM 0 H SER A 38 -3.285 -9.243 -10.826 1.00 55.43 H new ATOM 0 HA SER A 38 -1.879 -11.732 -10.301 1.00 23.33 H new ATOM 0 HB2 SER A 38 -1.212 -9.377 -12.138 1.00 32.12 H new ATOM 0 HB3 SER A 38 -0.411 -10.936 -12.153 1.00 32.12 H new ATOM 0 HG SER A 38 -2.060 -10.781 -13.776 1.00 25.05 H new ATOM 580 N LYS A 39 0.290 -10.959 -9.224 1.00 21.02 N ATOM 581 CA LYS A 39 1.427 -10.564 -8.381 1.00 52.25 C ATOM 582 C LYS A 39 2.166 -9.356 -8.990 1.00 52.44 C ATOM 583 O LYS A 39 2.453 -8.370 -8.304 1.00 10.42 O ATOM 584 CB LYS A 39 2.367 -11.776 -8.209 1.00 24.50 C ATOM 585 CG LYS A 39 3.514 -11.593 -7.207 1.00 54.44 C ATOM 586 CD LYS A 39 4.755 -10.968 -7.844 1.00 31.42 C ATOM 587 CE LYS A 39 5.923 -10.894 -6.864 1.00 63.43 C ATOM 588 NZ LYS A 39 6.327 -12.236 -6.365 1.00 32.12 N ATOM 0 H LYS A 39 0.307 -11.938 -9.510 1.00 21.02 H new ATOM 0 HA LYS A 39 1.067 -10.255 -7.400 1.00 52.25 H new ATOM 0 HB2 LYS A 39 1.770 -12.633 -7.897 1.00 24.50 H new ATOM 0 HB3 LYS A 39 2.794 -12.022 -9.181 1.00 24.50 H new ATOM 0 HG2 LYS A 39 3.176 -10.963 -6.384 1.00 54.44 H new ATOM 0 HG3 LYS A 39 3.777 -12.561 -6.780 1.00 54.44 H new ATOM 0 HD2 LYS A 39 5.049 -11.553 -8.716 1.00 31.42 H new ATOM 0 HD3 LYS A 39 4.515 -9.966 -8.199 1.00 31.42 H new ATOM 0 HE2 LYS A 39 6.774 -10.419 -7.352 1.00 63.43 H new ATOM 0 HE3 LYS A 39 5.646 -10.263 -6.019 1.00 63.43 H new ATOM 0 HZ1 LYS A 39 6.084 -12.319 -5.357 1.00 32.12 H new ATOM 0 HZ2 LYS A 39 5.827 -12.972 -6.904 1.00 32.12 H new ATOM 0 HZ3 LYS A 39 7.353 -12.356 -6.484 1.00 32.12 H new ATOM 602 N GLU A 40 2.448 -9.437 -10.289 1.00 30.43 N ATOM 603 CA GLU A 40 3.092 -8.339 -11.025 1.00 43.13 C ATOM 604 C GLU A 40 2.248 -7.047 -10.988 1.00 41.52 C ATOM 605 O GLU A 40 2.783 -5.947 -10.816 1.00 31.34 O ATOM 606 CB GLU A 40 3.327 -8.759 -12.485 1.00 72.14 C ATOM 607 CG GLU A 40 2.057 -9.212 -13.202 1.00 45.01 C ATOM 608 CD GLU A 40 2.274 -9.498 -14.676 1.00 31.13 C ATOM 609 OE1 GLU A 40 2.811 -10.571 -15.005 1.00 20.12 O ATOM 610 OE2 GLU A 40 1.903 -8.648 -15.513 1.00 43.54 O ATOM 0 H GLU A 40 2.241 -10.256 -10.861 1.00 30.43 H new ATOM 0 HA GLU A 40 4.044 -8.129 -10.538 1.00 43.13 H new ATOM 0 HB2 GLU A 40 3.763 -7.921 -13.030 1.00 72.14 H new ATOM 0 HB3 GLU A 40 4.056 -9.569 -12.509 1.00 72.14 H new ATOM 0 HG2 GLU A 40 1.674 -10.110 -12.717 1.00 45.01 H new ATOM 0 HG3 GLU A 40 1.293 -8.442 -13.096 1.00 45.01 H new ATOM 617 N ALA A 41 0.929 -7.195 -11.145 1.00 13.41 N ATOM 618 CA ALA A 41 0.008 -6.050 -11.184 1.00 35.34 C ATOM 619 C ALA A 41 0.010 -5.277 -9.860 1.00 54.43 C ATOM 620 O ALA A 41 0.075 -4.046 -9.844 1.00 63.21 O ATOM 621 CB ALA A 41 -1.405 -6.518 -11.522 1.00 43.10 C ATOM 0 H ALA A 41 0.471 -8.101 -11.248 1.00 13.41 H new ATOM 0 HA ALA A 41 0.355 -5.372 -11.964 1.00 35.34 H new ATOM 0 HB1 ALA A 41 -2.076 -5.660 -11.547 1.00 43.10 H new ATOM 0 HB2 ALA A 41 -1.403 -7.006 -12.497 1.00 43.10 H new ATOM 0 HB3 ALA A 41 -1.746 -7.223 -10.764 1.00 43.10 H new ATOM 627 N LEU A 42 -0.060 -6.008 -8.752 1.00 42.53 N ATOM 628 CA LEU A 42 -0.006 -5.397 -7.420 1.00 74.35 C ATOM 629 C LEU A 42 1.288 -4.580 -7.256 1.00 21.32 C ATOM 630 O LEU A 42 1.265 -3.450 -6.765 1.00 43.52 O ATOM 631 CB LEU A 42 -0.115 -6.496 -6.338 1.00 40.33 C ATOM 632 CG LEU A 42 -0.319 -6.016 -4.882 1.00 60.04 C ATOM 633 CD1 LEU A 42 -0.908 -7.137 -4.032 1.00 51.31 C ATOM 634 CD2 LEU A 42 0.993 -5.533 -4.261 1.00 50.12 C ATOM 0 H LEU A 42 -0.154 -7.024 -8.746 1.00 42.53 H new ATOM 0 HA LEU A 42 -0.847 -4.713 -7.303 1.00 74.35 H new ATOM 0 HB2 LEU A 42 -0.946 -7.151 -6.600 1.00 40.33 H new ATOM 0 HB3 LEU A 42 0.791 -7.100 -6.374 1.00 40.33 H new ATOM 0 HG LEU A 42 -1.013 -5.176 -4.907 1.00 60.04 H new ATOM 0 HD11 LEU A 42 -1.046 -6.784 -3.010 1.00 51.31 H new ATOM 0 HD12 LEU A 42 -1.871 -7.439 -4.445 1.00 51.31 H new ATOM 0 HD13 LEU A 42 -0.229 -7.990 -4.033 1.00 51.31 H new ATOM 0 HD21 LEU A 42 0.812 -5.203 -3.238 1.00 50.12 H new ATOM 0 HD22 LEU A 42 1.716 -6.349 -4.257 1.00 50.12 H new ATOM 0 HD23 LEU A 42 1.388 -4.702 -4.845 1.00 50.12 H new ATOM 646 N LEU A 43 2.408 -5.153 -7.698 1.00 61.51 N ATOM 647 CA LEU A 43 3.714 -4.494 -7.585 1.00 71.21 C ATOM 648 C LEU A 43 3.796 -3.204 -8.417 1.00 51.00 C ATOM 649 O LEU A 43 4.201 -2.162 -7.906 1.00 34.42 O ATOM 650 CB LEU A 43 4.838 -5.449 -8.004 1.00 74.10 C ATOM 651 CG LEU A 43 4.988 -6.711 -7.141 1.00 14.41 C ATOM 652 CD1 LEU A 43 6.193 -7.521 -7.599 1.00 75.54 C ATOM 653 CD2 LEU A 43 5.114 -6.350 -5.660 1.00 0.21 C ATOM 0 H LEU A 43 2.439 -6.073 -8.138 1.00 61.51 H new ATOM 0 HA LEU A 43 3.836 -4.220 -6.537 1.00 71.21 H new ATOM 0 HB2 LEU A 43 4.666 -5.754 -9.036 1.00 74.10 H new ATOM 0 HB3 LEU A 43 5.781 -4.903 -7.986 1.00 74.10 H new ATOM 0 HG LEU A 43 4.091 -7.318 -7.263 1.00 14.41 H new ATOM 0 HD11 LEU A 43 6.289 -8.413 -6.980 1.00 75.54 H new ATOM 0 HD12 LEU A 43 6.059 -7.815 -8.640 1.00 75.54 H new ATOM 0 HD13 LEU A 43 7.095 -6.916 -7.506 1.00 75.54 H new ATOM 0 HD21 LEU A 43 5.219 -7.261 -5.071 1.00 0.21 H new ATOM 0 HD22 LEU A 43 5.991 -5.720 -5.512 1.00 0.21 H new ATOM 0 HD23 LEU A 43 4.222 -5.812 -5.340 1.00 0.21 H new ATOM 665 N GLU A 44 3.414 -3.271 -9.695 1.00 64.23 N ATOM 666 CA GLU A 44 3.530 -2.106 -10.588 1.00 43.31 C ATOM 667 C GLU A 44 2.610 -0.955 -10.150 1.00 13.51 C ATOM 668 O GLU A 44 2.980 0.218 -10.247 1.00 53.55 O ATOM 669 CB GLU A 44 3.244 -2.495 -12.048 1.00 75.54 C ATOM 670 CG GLU A 44 1.831 -3.006 -12.309 1.00 3.14 C ATOM 671 CD GLU A 44 1.599 -3.342 -13.774 1.00 34.23 C ATOM 672 OE1 GLU A 44 1.988 -4.449 -14.205 1.00 40.52 O ATOM 673 OE2 GLU A 44 1.035 -2.501 -14.506 1.00 74.14 O ATOM 0 H GLU A 44 3.026 -4.106 -10.134 1.00 64.23 H new ATOM 0 HA GLU A 44 4.559 -1.754 -10.519 1.00 43.31 H new ATOM 0 HB2 GLU A 44 3.424 -1.627 -12.682 1.00 75.54 H new ATOM 0 HB3 GLU A 44 3.955 -3.264 -12.350 1.00 75.54 H new ATOM 0 HG2 GLU A 44 1.650 -3.893 -11.702 1.00 3.14 H new ATOM 0 HG3 GLU A 44 1.110 -2.252 -11.993 1.00 3.14 H new ATOM 680 N CYS A 45 1.416 -1.290 -9.664 1.00 1.12 N ATOM 681 CA CYS A 45 0.492 -0.282 -9.126 1.00 42.43 C ATOM 682 C CYS A 45 1.028 0.323 -7.818 1.00 63.33 C ATOM 683 O CYS A 45 0.872 1.518 -7.567 1.00 20.41 O ATOM 684 CB CYS A 45 -0.899 -0.886 -8.902 1.00 72.13 C ATOM 685 SG CYS A 45 -1.739 -1.384 -10.427 1.00 63.02 S ATOM 0 H CYS A 45 1.063 -2.246 -9.630 1.00 1.12 H new ATOM 0 HA CYS A 45 0.410 0.518 -9.861 1.00 42.43 H new ATOM 0 HB2 CYS A 45 -0.806 -1.755 -8.250 1.00 72.13 H new ATOM 0 HB3 CYS A 45 -1.520 -0.159 -8.378 1.00 72.13 H new ATOM 0 HG CYS A 45 -2.528 -2.387 -10.180 1.00 63.02 H new ATOM 691 N ALA A 46 1.663 -0.505 -6.990 1.00 63.21 N ATOM 692 CA ALA A 46 2.310 -0.024 -5.762 1.00 63.52 C ATOM 693 C ALA A 46 3.549 0.825 -6.090 1.00 73.31 C ATOM 694 O ALA A 46 3.852 1.806 -5.406 1.00 1.44 O ATOM 695 CB ALA A 46 2.686 -1.204 -4.874 1.00 61.23 C ATOM 0 H ALA A 46 1.745 -1.510 -7.143 1.00 63.21 H new ATOM 0 HA ALA A 46 1.604 0.609 -5.224 1.00 63.52 H new ATOM 0 HB1 ALA A 46 3.165 -0.838 -3.966 1.00 61.23 H new ATOM 0 HB2 ALA A 46 1.787 -1.762 -4.611 1.00 61.23 H new ATOM 0 HB3 ALA A 46 3.375 -1.857 -5.409 1.00 61.23 H new ATOM 701 N ASP A 47 4.251 0.441 -7.155 1.00 74.01 N ATOM 702 CA ASP A 47 5.432 1.169 -7.628 1.00 23.13 C ATOM 703 C ASP A 47 5.089 2.634 -7.931 1.00 52.54 C ATOM 704 O ASP A 47 5.909 3.529 -7.731 1.00 63.23 O ATOM 705 CB ASP A 47 5.992 0.480 -8.879 1.00 41.24 C ATOM 706 CG ASP A 47 7.247 1.151 -9.414 1.00 22.32 C ATOM 707 OD1 ASP A 47 7.127 2.076 -10.242 1.00 52.04 O ATOM 708 OD2 ASP A 47 8.359 0.744 -9.018 1.00 5.42 O ATOM 0 H ASP A 47 4.020 -0.380 -7.714 1.00 74.01 H new ATOM 0 HA ASP A 47 6.188 1.159 -6.843 1.00 23.13 H new ATOM 0 HB2 ASP A 47 6.215 -0.561 -8.645 1.00 41.24 H new ATOM 0 HB3 ASP A 47 5.229 0.476 -9.657 1.00 41.24 H new ATOM 713 N LEU A 48 3.862 2.868 -8.398 1.00 51.01 N ATOM 714 CA LEU A 48 3.377 4.224 -8.672 1.00 55.52 C ATOM 715 C LEU A 48 3.485 5.123 -7.434 1.00 73.32 C ATOM 716 O LEU A 48 3.941 6.257 -7.526 1.00 73.33 O ATOM 717 CB LEU A 48 1.924 4.186 -9.167 1.00 21.33 C ATOM 718 CG LEU A 48 1.717 3.501 -10.526 1.00 54.13 C ATOM 719 CD1 LEU A 48 0.240 3.507 -10.917 1.00 24.44 C ATOM 720 CD2 LEU A 48 2.568 4.176 -11.597 1.00 41.11 C ATOM 0 H LEU A 48 3.182 2.134 -8.596 1.00 51.01 H new ATOM 0 HA LEU A 48 4.010 4.646 -9.452 1.00 55.52 H new ATOM 0 HB2 LEU A 48 1.316 3.672 -8.422 1.00 21.33 H new ATOM 0 HB3 LEU A 48 1.552 5.208 -9.232 1.00 21.33 H new ATOM 0 HG LEU A 48 2.036 2.462 -10.441 1.00 54.13 H new ATOM 0 HD11 LEU A 48 0.117 3.017 -11.883 1.00 24.44 H new ATOM 0 HD12 LEU A 48 -0.338 2.973 -10.163 1.00 24.44 H new ATOM 0 HD13 LEU A 48 -0.114 4.536 -10.985 1.00 24.44 H new ATOM 0 HD21 LEU A 48 2.410 3.679 -12.554 1.00 41.11 H new ATOM 0 HD22 LEU A 48 2.282 5.225 -11.681 1.00 41.11 H new ATOM 0 HD23 LEU A 48 3.621 4.108 -11.322 1.00 41.11 H new ATOM 732 N LEU A 49 3.078 4.606 -6.274 1.00 60.34 N ATOM 733 CA LEU A 49 3.150 5.377 -5.026 1.00 33.33 C ATOM 734 C LEU A 49 4.609 5.643 -4.626 1.00 52.31 C ATOM 735 O LEU A 49 4.986 6.776 -4.330 1.00 3.42 O ATOM 736 CB LEU A 49 2.413 4.660 -3.879 1.00 33.12 C ATOM 737 CG LEU A 49 0.881 4.555 -4.026 1.00 71.51 C ATOM 738 CD1 LEU A 49 0.498 3.559 -5.115 1.00 64.53 C ATOM 739 CD2 LEU A 49 0.234 4.170 -2.695 1.00 25.44 C ATOM 0 H LEU A 49 2.698 3.665 -6.169 1.00 60.34 H new ATOM 0 HA LEU A 49 2.657 6.332 -5.207 1.00 33.33 H new ATOM 0 HB2 LEU A 49 2.820 3.653 -3.785 1.00 33.12 H new ATOM 0 HB3 LEU A 49 2.635 5.182 -2.948 1.00 33.12 H new ATOM 0 HG LEU A 49 0.507 5.536 -4.321 1.00 71.51 H new ATOM 0 HD11 LEU A 49 -0.588 3.507 -5.195 1.00 64.53 H new ATOM 0 HD12 LEU A 49 0.917 3.883 -6.068 1.00 64.53 H new ATOM 0 HD13 LEU A 49 0.891 2.574 -4.862 1.00 64.53 H new ATOM 0 HD21 LEU A 49 -0.846 4.102 -2.822 1.00 25.44 H new ATOM 0 HD22 LEU A 49 0.623 3.206 -2.367 1.00 25.44 H new ATOM 0 HD23 LEU A 49 0.464 4.928 -1.946 1.00 25.44 H new ATOM 751 N SER A 50 5.427 4.590 -4.635 1.00 44.30 N ATOM 752 CA SER A 50 6.858 4.712 -4.301 1.00 12.23 C ATOM 753 C SER A 50 7.557 5.730 -5.215 1.00 52.15 C ATOM 754 O SER A 50 8.247 6.637 -4.749 1.00 11.54 O ATOM 755 CB SER A 50 7.555 3.346 -4.417 1.00 52.11 C ATOM 756 OG SER A 50 8.927 3.427 -4.059 1.00 21.02 O ATOM 0 H SER A 50 5.130 3.643 -4.869 1.00 44.30 H new ATOM 0 HA SER A 50 6.929 5.066 -3.272 1.00 12.23 H new ATOM 0 HB2 SER A 50 7.052 2.625 -3.773 1.00 52.11 H new ATOM 0 HB3 SER A 50 7.466 2.977 -5.439 1.00 52.11 H new ATOM 0 HG SER A 50 9.340 2.542 -4.142 1.00 21.02 H new ATOM 762 N SER A 51 7.349 5.580 -6.521 1.00 70.12 N ATOM 763 CA SER A 51 7.938 6.481 -7.519 1.00 23.24 C ATOM 764 C SER A 51 7.396 7.913 -7.384 1.00 21.25 C ATOM 765 O SER A 51 8.157 8.879 -7.420 1.00 45.45 O ATOM 766 CB SER A 51 7.668 5.956 -8.938 1.00 24.30 C ATOM 767 OG SER A 51 8.200 4.649 -9.113 1.00 55.30 O ATOM 0 H SER A 51 6.773 4.838 -6.919 1.00 70.12 H new ATOM 0 HA SER A 51 9.013 6.508 -7.339 1.00 23.24 H new ATOM 0 HB2 SER A 51 6.594 5.942 -9.125 1.00 24.30 H new ATOM 0 HB3 SER A 51 8.111 6.632 -9.669 1.00 24.30 H new ATOM 0 HG SER A 51 7.593 3.992 -8.712 1.00 55.30 H new ATOM 773 N ALA A 52 6.082 8.046 -7.220 1.00 42.32 N ATOM 774 CA ALA A 52 5.448 9.362 -7.073 1.00 72.35 C ATOM 775 C ALA A 52 5.965 10.112 -5.832 1.00 1.25 C ATOM 776 O ALA A 52 6.108 11.330 -5.845 1.00 73.41 O ATOM 777 CB ALA A 52 3.931 9.217 -7.014 1.00 35.44 C ATOM 0 H ALA A 52 5.432 7.261 -7.185 1.00 42.32 H new ATOM 0 HA ALA A 52 5.715 9.955 -7.948 1.00 72.35 H new ATOM 0 HB1 ALA A 52 3.475 10.201 -6.905 1.00 35.44 H new ATOM 0 HB2 ALA A 52 3.574 8.752 -7.933 1.00 35.44 H new ATOM 0 HB3 ALA A 52 3.658 8.594 -6.162 1.00 35.44 H new ATOM 783 N LEU A 53 6.271 9.371 -4.766 1.00 3.14 N ATOM 784 CA LEU A 53 6.757 9.970 -3.513 1.00 3.30 C ATOM 785 C LEU A 53 8.211 10.470 -3.621 1.00 12.31 C ATOM 786 O LEU A 53 8.711 11.138 -2.713 1.00 52.14 O ATOM 787 CB LEU A 53 6.623 8.967 -2.359 1.00 71.44 C ATOM 788 CG LEU A 53 5.178 8.687 -1.905 1.00 40.13 C ATOM 789 CD1 LEU A 53 5.139 7.559 -0.882 1.00 15.31 C ATOM 790 CD2 LEU A 53 4.542 9.953 -1.332 1.00 32.45 C ATOM 0 H LEU A 53 6.192 8.354 -4.741 1.00 3.14 H new ATOM 0 HA LEU A 53 6.134 10.842 -3.312 1.00 3.30 H new ATOM 0 HB2 LEU A 53 7.082 8.026 -2.661 1.00 71.44 H new ATOM 0 HB3 LEU A 53 7.190 9.339 -1.506 1.00 71.44 H new ATOM 0 HG LEU A 53 4.603 8.374 -2.776 1.00 40.13 H new ATOM 0 HD11 LEU A 53 4.108 7.380 -0.577 1.00 15.31 H new ATOM 0 HD12 LEU A 53 5.549 6.651 -1.325 1.00 15.31 H new ATOM 0 HD13 LEU A 53 5.732 7.837 -0.011 1.00 15.31 H new ATOM 0 HD21 LEU A 53 3.521 9.737 -1.016 1.00 32.45 H new ATOM 0 HD22 LEU A 53 5.122 10.296 -0.475 1.00 32.45 H new ATOM 0 HD23 LEU A 53 4.528 10.731 -2.095 1.00 32.45 H new ATOM 802 N THR A 54 8.895 10.147 -4.723 1.00 63.12 N ATOM 803 CA THR A 54 10.264 10.651 -4.956 1.00 42.33 C ATOM 804 C THR A 54 10.244 11.994 -5.700 1.00 43.53 C ATOM 805 O THR A 54 11.291 12.580 -5.975 1.00 34.12 O ATOM 806 CB THR A 54 11.138 9.654 -5.764 1.00 31.14 C ATOM 807 OG1 THR A 54 10.701 9.585 -7.135 1.00 30.03 O ATOM 808 CG2 THR A 54 11.095 8.259 -5.146 1.00 65.44 C ATOM 0 H THR A 54 8.534 9.546 -5.464 1.00 63.12 H new ATOM 0 HA THR A 54 10.704 10.778 -3.967 1.00 42.33 H new ATOM 0 HB THR A 54 12.164 10.021 -5.734 1.00 31.14 H new ATOM 0 HG1 THR A 54 9.924 8.992 -7.201 1.00 30.03 H new ATOM 0 HG21 THR A 54 11.716 7.582 -5.733 1.00 65.44 H new ATOM 0 HG22 THR A 54 11.471 8.302 -4.124 1.00 65.44 H new ATOM 0 HG23 THR A 54 10.067 7.895 -5.140 1.00 65.44 H new ATOM 816 N GLU A 55 9.041 12.475 -6.019 1.00 63.24 N ATOM 817 CA GLU A 55 8.856 13.741 -6.741 1.00 73.42 C ATOM 818 C GLU A 55 7.626 14.499 -6.202 1.00 63.21 C ATOM 819 O GLU A 55 6.787 13.914 -5.514 1.00 22.41 O ATOM 820 CB GLU A 55 8.707 13.462 -8.248 1.00 32.25 C ATOM 821 CG GLU A 55 7.586 12.486 -8.593 1.00 64.22 C ATOM 822 CD GLU A 55 7.416 12.288 -10.095 1.00 11.01 C ATOM 823 OE1 GLU A 55 6.697 13.090 -10.729 1.00 54.32 O ATOM 824 OE2 GLU A 55 8.010 11.339 -10.655 1.00 74.42 O ATOM 0 H GLU A 55 8.168 12.002 -5.786 1.00 63.24 H new ATOM 0 HA GLU A 55 9.732 14.370 -6.584 1.00 73.42 H new ATOM 0 HB2 GLU A 55 8.526 14.404 -8.765 1.00 32.25 H new ATOM 0 HB3 GLU A 55 9.649 13.066 -8.628 1.00 32.25 H new ATOM 0 HG2 GLU A 55 7.792 11.523 -8.125 1.00 64.22 H new ATOM 0 HG3 GLU A 55 6.650 12.851 -8.171 1.00 64.22 H new ATOM 831 N PRO A 56 7.498 15.819 -6.471 1.00 32.14 N ATOM 832 CA PRO A 56 6.324 16.584 -6.011 1.00 20.31 C ATOM 833 C PRO A 56 5.026 16.179 -6.740 1.00 73.32 C ATOM 834 O PRO A 56 4.924 16.281 -7.967 1.00 31.22 O ATOM 835 CB PRO A 56 6.706 18.039 -6.330 1.00 25.43 C ATOM 836 CG PRO A 56 7.705 17.939 -7.439 1.00 4.13 C ATOM 837 CD PRO A 56 8.468 16.662 -7.199 1.00 71.43 C ATOM 0 HA PRO A 56 6.108 16.409 -4.957 1.00 20.31 H new ATOM 0 HB2 PRO A 56 5.835 18.619 -6.634 1.00 25.43 H new ATOM 0 HB3 PRO A 56 7.131 18.536 -5.458 1.00 25.43 H new ATOM 0 HG2 PRO A 56 7.209 17.920 -8.410 1.00 4.13 H new ATOM 0 HG3 PRO A 56 8.375 18.799 -7.439 1.00 4.13 H new ATOM 0 HD2 PRO A 56 8.781 16.199 -8.135 1.00 71.43 H new ATOM 0 HD3 PRO A 56 9.370 16.836 -6.612 1.00 71.43 H new ATOM 845 N VAL A 57 4.029 15.740 -5.969 1.00 51.31 N ATOM 846 CA VAL A 57 2.720 15.344 -6.511 1.00 4.43 C ATOM 847 C VAL A 57 1.581 15.768 -5.567 1.00 64.30 C ATOM 848 O VAL A 57 1.782 15.877 -4.356 1.00 73.33 O ATOM 849 CB VAL A 57 2.630 13.806 -6.744 1.00 51.44 C ATOM 850 CG1 VAL A 57 3.502 13.366 -7.918 1.00 22.32 C ATOM 851 CG2 VAL A 57 3.010 13.044 -5.474 1.00 54.02 C ATOM 0 H VAL A 57 4.102 15.648 -4.956 1.00 51.31 H new ATOM 0 HA VAL A 57 2.614 15.853 -7.469 1.00 4.43 H new ATOM 0 HB VAL A 57 1.596 13.569 -6.993 1.00 51.44 H new ATOM 0 HG11 VAL A 57 3.415 12.288 -8.052 1.00 22.32 H new ATOM 0 HG12 VAL A 57 3.173 13.872 -8.826 1.00 22.32 H new ATOM 0 HG13 VAL A 57 4.542 13.624 -7.716 1.00 22.32 H new ATOM 0 HG21 VAL A 57 2.941 11.972 -5.658 1.00 54.02 H new ATOM 0 HG22 VAL A 57 4.031 13.298 -5.189 1.00 54.02 H new ATOM 0 HG23 VAL A 57 2.330 13.318 -4.668 1.00 54.02 H new ATOM 861 N PRO A 58 0.371 16.027 -6.105 1.00 70.21 N ATOM 862 CA PRO A 58 -0.809 16.318 -5.278 1.00 20.42 C ATOM 863 C PRO A 58 -1.122 15.179 -4.289 1.00 15.31 C ATOM 864 O PRO A 58 -1.341 14.032 -4.691 1.00 22.35 O ATOM 865 CB PRO A 58 -1.948 16.495 -6.302 1.00 73.43 C ATOM 866 CG PRO A 58 -1.429 15.923 -7.582 1.00 40.14 C ATOM 867 CD PRO A 58 0.065 16.087 -7.544 1.00 44.34 C ATOM 0 HA PRO A 58 -0.660 17.198 -4.652 1.00 20.42 H new ATOM 0 HB2 PRO A 58 -2.850 15.977 -5.978 1.00 73.43 H new ATOM 0 HB3 PRO A 58 -2.209 17.547 -6.420 1.00 73.43 H new ATOM 0 HG2 PRO A 58 -1.702 14.872 -7.677 1.00 40.14 H new ATOM 0 HG3 PRO A 58 -1.855 16.442 -8.441 1.00 40.14 H new ATOM 0 HD2 PRO A 58 0.572 15.296 -8.097 1.00 44.34 H new ATOM 0 HD3 PRO A 58 0.378 17.034 -7.984 1.00 44.34 H new ATOM 875 N ASN A 59 -1.145 15.496 -2.994 1.00 63.30 N ATOM 876 CA ASN A 59 -1.390 14.490 -1.952 1.00 2.01 C ATOM 877 C ASN A 59 -2.718 13.742 -2.186 1.00 14.24 C ATOM 878 O ASN A 59 -2.854 12.570 -1.829 1.00 45.40 O ATOM 879 CB ASN A 59 -1.378 15.151 -0.567 1.00 41.24 C ATOM 880 CG ASN A 59 -0.074 15.884 -0.292 1.00 33.30 C ATOM 881 OD1 ASN A 59 0.055 17.072 -0.553 1.00 31.24 O ATOM 882 ND2 ASN A 59 0.914 15.179 0.221 1.00 24.51 N ATOM 0 H ASN A 59 -0.997 16.441 -2.638 1.00 63.30 H new ATOM 0 HA ASN A 59 -0.588 13.753 -2.000 1.00 2.01 H new ATOM 0 HB2 ASN A 59 -2.209 15.852 -0.494 1.00 41.24 H new ATOM 0 HB3 ASN A 59 -1.534 14.390 0.198 1.00 41.24 H new ATOM 0 HD21 ASN A 59 1.813 15.623 0.410 1.00 24.51 H new ATOM 0 HD22 ASN A 59 0.780 14.190 0.429 1.00 24.51 H new ATOM 889 N SER A 60 -3.686 14.426 -2.796 1.00 3.02 N ATOM 890 CA SER A 60 -4.961 13.800 -3.184 1.00 30.43 C ATOM 891 C SER A 60 -4.736 12.668 -4.200 1.00 51.02 C ATOM 892 O SER A 60 -5.386 11.622 -4.139 1.00 2.25 O ATOM 893 CB SER A 60 -5.914 14.845 -3.781 1.00 64.10 C ATOM 894 OG SER A 60 -6.137 15.918 -2.879 1.00 2.52 O ATOM 0 H SER A 60 -3.616 15.415 -3.035 1.00 3.02 H new ATOM 0 HA SER A 60 -5.409 13.377 -2.285 1.00 30.43 H new ATOM 0 HB2 SER A 60 -5.497 15.231 -4.711 1.00 64.10 H new ATOM 0 HB3 SER A 60 -6.865 14.373 -4.029 1.00 64.10 H new ATOM 0 HG SER A 60 -6.746 16.568 -3.288 1.00 2.52 H new ATOM 900 N GLN A 61 -3.800 12.890 -5.127 1.00 13.31 N ATOM 901 CA GLN A 61 -3.420 11.883 -6.129 1.00 51.33 C ATOM 902 C GLN A 61 -2.841 10.636 -5.449 1.00 24.24 C ATOM 903 O GLN A 61 -3.135 9.507 -5.838 1.00 75.23 O ATOM 904 CB GLN A 61 -2.391 12.481 -7.103 1.00 4.13 C ATOM 905 CG GLN A 61 -1.815 11.488 -8.114 1.00 20.31 C ATOM 906 CD GLN A 61 -0.804 12.127 -9.055 1.00 34.23 C ATOM 907 OE1 GLN A 61 -0.890 13.307 -9.374 1.00 53.21 O ATOM 908 NE2 GLN A 61 0.163 11.355 -9.507 1.00 31.53 N ATOM 0 H GLN A 61 -3.285 13.767 -5.206 1.00 13.31 H new ATOM 0 HA GLN A 61 -4.311 11.589 -6.684 1.00 51.33 H new ATOM 0 HB2 GLN A 61 -2.860 13.301 -7.647 1.00 4.13 H new ATOM 0 HB3 GLN A 61 -1.571 12.908 -6.526 1.00 4.13 H new ATOM 0 HG2 GLN A 61 -1.338 10.667 -7.579 1.00 20.31 H new ATOM 0 HG3 GLN A 61 -2.628 11.058 -8.699 1.00 20.31 H new ATOM 0 HE21 GLN A 61 0.209 10.376 -9.224 1.00 31.53 H new ATOM 0 HE22 GLN A 61 0.866 11.736 -10.140 1.00 31.53 H new ATOM 917 N LEU A 62 -2.021 10.859 -4.424 1.00 62.33 N ATOM 918 CA LEU A 62 -1.448 9.765 -3.634 1.00 10.34 C ATOM 919 C LEU A 62 -2.550 8.903 -2.997 1.00 12.53 C ATOM 920 O LEU A 62 -2.554 7.678 -3.130 1.00 61.02 O ATOM 921 CB LEU A 62 -0.523 10.329 -2.549 1.00 5.22 C ATOM 922 CG LEU A 62 0.703 11.092 -3.075 1.00 64.20 C ATOM 923 CD1 LEU A 62 1.456 11.761 -1.930 1.00 13.45 C ATOM 924 CD2 LEU A 62 1.621 10.153 -3.857 1.00 1.12 C ATOM 0 H LEU A 62 -1.736 11.790 -4.118 1.00 62.33 H new ATOM 0 HA LEU A 62 -0.869 9.129 -4.304 1.00 10.34 H new ATOM 0 HB2 LEU A 62 -1.101 10.997 -1.910 1.00 5.22 H new ATOM 0 HB3 LEU A 62 -0.179 9.506 -1.922 1.00 5.22 H new ATOM 0 HG LEU A 62 0.358 11.874 -3.751 1.00 64.20 H new ATOM 0 HD11 LEU A 62 2.320 12.295 -2.326 1.00 13.45 H new ATOM 0 HD12 LEU A 62 0.796 12.464 -1.422 1.00 13.45 H new ATOM 0 HD13 LEU A 62 1.791 11.002 -1.223 1.00 13.45 H new ATOM 0 HD21 LEU A 62 2.484 10.709 -4.223 1.00 1.12 H new ATOM 0 HD22 LEU A 62 1.958 9.347 -3.205 1.00 1.12 H new ATOM 0 HD23 LEU A 62 1.076 9.732 -4.702 1.00 1.12 H new ATOM 936 N VAL A 63 -3.492 9.556 -2.313 1.00 41.21 N ATOM 937 CA VAL A 63 -4.628 8.858 -1.696 1.00 55.32 C ATOM 938 C VAL A 63 -5.463 8.111 -2.748 1.00 32.25 C ATOM 939 O VAL A 63 -5.830 6.948 -2.561 1.00 75.33 O ATOM 940 CB VAL A 63 -5.545 9.844 -0.925 1.00 12.40 C ATOM 941 CG1 VAL A 63 -6.698 9.107 -0.241 1.00 20.33 C ATOM 942 CG2 VAL A 63 -4.739 10.648 0.091 1.00 62.02 C ATOM 0 H VAL A 63 -3.493 10.566 -2.171 1.00 41.21 H new ATOM 0 HA VAL A 63 -4.211 8.136 -0.994 1.00 55.32 H new ATOM 0 HB VAL A 63 -5.974 10.537 -1.648 1.00 12.40 H new ATOM 0 HG11 VAL A 63 -7.323 9.824 0.291 1.00 20.33 H new ATOM 0 HG12 VAL A 63 -7.296 8.591 -0.992 1.00 20.33 H new ATOM 0 HG13 VAL A 63 -6.297 8.380 0.466 1.00 20.33 H new ATOM 0 HG21 VAL A 63 -5.401 11.333 0.620 1.00 62.02 H new ATOM 0 HG22 VAL A 63 -4.273 9.969 0.805 1.00 62.02 H new ATOM 0 HG23 VAL A 63 -3.966 11.217 -0.426 1.00 62.02 H new ATOM 952 N ASP A 64 -5.742 8.781 -3.863 1.00 41.30 N ATOM 953 CA ASP A 64 -6.565 8.203 -4.925 1.00 43.33 C ATOM 954 C ASP A 64 -5.887 6.975 -5.555 1.00 32.22 C ATOM 955 O ASP A 64 -6.521 5.935 -5.752 1.00 4.41 O ATOM 956 CB ASP A 64 -6.865 9.259 -5.994 1.00 24.12 C ATOM 957 CG ASP A 64 -7.950 8.809 -6.954 1.00 14.21 C ATOM 958 OD1 ASP A 64 -9.062 8.483 -6.484 1.00 41.43 O ATOM 959 OD2 ASP A 64 -7.709 8.797 -8.176 1.00 4.40 O ATOM 0 H ASP A 64 -5.410 9.726 -4.056 1.00 41.30 H new ATOM 0 HA ASP A 64 -7.504 7.871 -4.482 1.00 43.33 H new ATOM 0 HB2 ASP A 64 -7.172 10.186 -5.510 1.00 24.12 H new ATOM 0 HB3 ASP A 64 -5.955 9.477 -6.553 1.00 24.12 H new ATOM 964 N THR A 65 -4.595 7.096 -5.853 1.00 14.12 N ATOM 965 CA THR A 65 -3.816 5.976 -6.404 1.00 31.03 C ATOM 966 C THR A 65 -3.748 4.814 -5.400 1.00 12.23 C ATOM 967 O THR A 65 -3.768 3.645 -5.783 1.00 2.21 O ATOM 968 CB THR A 65 -2.371 6.405 -6.783 1.00 52.54 C ATOM 969 OG1 THR A 65 -2.405 7.511 -7.700 1.00 4.53 O ATOM 970 CG2 THR A 65 -1.595 5.250 -7.416 1.00 62.11 C ATOM 0 H THR A 65 -4.061 7.955 -5.724 1.00 14.12 H new ATOM 0 HA THR A 65 -4.329 5.651 -7.309 1.00 31.03 H new ATOM 0 HB THR A 65 -1.865 6.703 -5.865 1.00 52.54 H new ATOM 0 HG1 THR A 65 -2.637 8.331 -7.215 1.00 4.53 H new ATOM 0 HG21 THR A 65 -0.589 5.583 -7.669 1.00 62.11 H new ATOM 0 HG22 THR A 65 -1.536 4.421 -6.710 1.00 62.11 H new ATOM 0 HG23 THR A 65 -2.106 4.921 -8.320 1.00 62.11 H new ATOM 978 N GLY A 66 -3.679 5.151 -4.111 1.00 21.14 N ATOM 979 CA GLY A 66 -3.673 4.136 -3.061 1.00 1.45 C ATOM 980 C GLY A 66 -4.999 3.384 -2.935 1.00 52.54 C ATOM 981 O GLY A 66 -5.029 2.241 -2.474 1.00 73.55 O ATOM 0 H GLY A 66 -3.627 6.112 -3.773 1.00 21.14 H new ATOM 0 HA2 GLY A 66 -2.876 3.420 -3.262 1.00 1.45 H new ATOM 0 HA3 GLY A 66 -3.441 4.611 -2.108 1.00 1.45 H new ATOM 985 N HIS A 67 -6.099 4.025 -3.343 1.00 21.45 N ATOM 986 CA HIS A 67 -7.429 3.397 -3.282 1.00 41.13 C ATOM 987 C HIS A 67 -7.470 2.054 -4.024 1.00 55.02 C ATOM 988 O HIS A 67 -7.974 1.060 -3.496 1.00 31.03 O ATOM 989 CB HIS A 67 -8.503 4.328 -3.857 1.00 2.51 C ATOM 990 CG HIS A 67 -8.738 5.570 -3.056 1.00 63.03 C ATOM 991 ND1 HIS A 67 -9.136 6.758 -3.622 1.00 15.05 N ATOM 992 CD2 HIS A 67 -8.651 5.802 -1.725 1.00 44.34 C ATOM 993 CE1 HIS A 67 -9.289 7.664 -2.680 1.00 32.32 C ATOM 994 NE2 HIS A 67 -9.000 7.114 -1.518 1.00 50.33 N ATOM 0 H HIS A 67 -6.098 4.974 -3.718 1.00 21.45 H new ATOM 0 HA HIS A 67 -7.635 3.211 -2.228 1.00 41.13 H new ATOM 0 HB2 HIS A 67 -8.216 4.612 -4.869 1.00 2.51 H new ATOM 0 HB3 HIS A 67 -9.440 3.777 -3.934 1.00 2.51 H new ATOM 0 HD1 HIS A 67 -9.289 6.913 -4.618 1.00 15.05 H new ATOM 0 HD2 HIS A 67 -8.361 5.089 -0.968 1.00 44.34 H new ATOM 0 HE1 HIS A 67 -9.599 8.687 -2.834 1.00 32.32 H new ATOM 1003 N GLN A 68 -6.940 2.018 -5.249 1.00 34.53 N ATOM 1004 CA GLN A 68 -6.922 0.776 -6.031 1.00 12.33 C ATOM 1005 C GLN A 68 -6.042 -0.286 -5.353 1.00 0.31 C ATOM 1006 O GLN A 68 -6.346 -1.479 -5.404 1.00 52.14 O ATOM 1007 CB GLN A 68 -6.437 1.036 -7.467 1.00 12.00 C ATOM 1008 CG GLN A 68 -4.983 1.486 -7.563 1.00 22.40 C ATOM 1009 CD GLN A 68 -4.485 1.583 -8.994 1.00 2.24 C ATOM 1010 OE1 GLN A 68 -4.950 0.869 -9.877 1.00 74.13 O ATOM 1011 NE2 GLN A 68 -3.525 2.453 -9.232 1.00 43.23 N ATOM 0 H GLN A 68 -6.522 2.822 -5.717 1.00 34.53 H new ATOM 0 HA GLN A 68 -7.943 0.398 -6.078 1.00 12.33 H new ATOM 0 HB2 GLN A 68 -6.563 0.125 -8.052 1.00 12.00 H new ATOM 0 HB3 GLN A 68 -7.072 1.797 -7.921 1.00 12.00 H new ATOM 0 HG2 GLN A 68 -4.877 2.458 -7.081 1.00 22.40 H new ATOM 0 HG3 GLN A 68 -4.355 0.786 -7.012 1.00 22.40 H new ATOM 0 HE21 GLN A 68 -3.161 3.031 -8.474 1.00 43.23 H new ATOM 0 HE22 GLN A 68 -3.145 2.549 -10.174 1.00 43.23 H new ATOM 1020 N LEU A 69 -4.961 0.154 -4.700 1.00 1.32 N ATOM 1021 CA LEU A 69 -4.073 -0.760 -3.970 1.00 20.21 C ATOM 1022 C LEU A 69 -4.827 -1.516 -2.870 1.00 73.25 C ATOM 1023 O LEU A 69 -4.511 -2.667 -2.575 1.00 12.42 O ATOM 1024 CB LEU A 69 -2.870 -0.007 -3.369 1.00 3.01 C ATOM 1025 CG LEU A 69 -1.659 0.170 -4.303 1.00 22.11 C ATOM 1026 CD1 LEU A 69 -1.112 -1.189 -4.739 1.00 14.13 C ATOM 1027 CD2 LEU A 69 -2.021 1.021 -5.520 1.00 2.01 C ATOM 0 H LEU A 69 -4.680 1.134 -4.661 1.00 1.32 H new ATOM 0 HA LEU A 69 -3.700 -1.489 -4.690 1.00 20.21 H new ATOM 0 HB2 LEU A 69 -3.206 0.979 -3.048 1.00 3.01 H new ATOM 0 HB3 LEU A 69 -2.542 -0.538 -2.475 1.00 3.01 H new ATOM 0 HG LEU A 69 -0.881 0.693 -3.748 1.00 22.11 H new ATOM 0 HD11 LEU A 69 -0.257 -1.042 -5.399 1.00 14.13 H new ATOM 0 HD12 LEU A 69 -0.800 -1.755 -3.861 1.00 14.13 H new ATOM 0 HD13 LEU A 69 -1.888 -1.741 -5.269 1.00 14.13 H new ATOM 0 HD21 LEU A 69 -1.146 1.129 -6.162 1.00 2.01 H new ATOM 0 HD22 LEU A 69 -2.822 0.536 -6.078 1.00 2.01 H new ATOM 0 HD23 LEU A 69 -2.353 2.005 -5.190 1.00 2.01 H new ATOM 1039 N LEU A 70 -5.821 -0.869 -2.266 1.00 2.35 N ATOM 1040 CA LEU A 70 -6.681 -1.536 -1.279 1.00 12.12 C ATOM 1041 C LEU A 70 -7.494 -2.674 -1.925 1.00 32.20 C ATOM 1042 O LEU A 70 -7.714 -3.712 -1.302 1.00 32.30 O ATOM 1043 CB LEU A 70 -7.607 -0.517 -0.587 1.00 71.25 C ATOM 1044 CG LEU A 70 -7.072 0.077 0.734 1.00 43.33 C ATOM 1045 CD1 LEU A 70 -7.008 -0.994 1.822 1.00 1.01 C ATOM 1046 CD2 LEU A 70 -5.699 0.717 0.538 1.00 44.33 C ATOM 0 H LEU A 70 -6.054 0.109 -2.438 1.00 2.35 H new ATOM 0 HA LEU A 70 -6.038 -1.981 -0.520 1.00 12.12 H new ATOM 0 HB2 LEU A 70 -7.801 0.301 -1.281 1.00 71.25 H new ATOM 0 HB3 LEU A 70 -8.564 -0.999 -0.387 1.00 71.25 H new ATOM 0 HG LEU A 70 -7.766 0.855 1.051 1.00 43.33 H new ATOM 0 HD11 LEU A 70 -6.628 -0.554 2.744 1.00 1.01 H new ATOM 0 HD12 LEU A 70 -8.006 -1.396 1.996 1.00 1.01 H new ATOM 0 HD13 LEU A 70 -6.344 -1.797 1.503 1.00 1.01 H new ATOM 0 HD21 LEU A 70 -5.350 1.126 1.486 1.00 44.33 H new ATOM 0 HD22 LEU A 70 -4.994 -0.036 0.186 1.00 44.33 H new ATOM 0 HD23 LEU A 70 -5.773 1.518 -0.198 1.00 44.33 H new ATOM 1058 N ASP A 71 -7.920 -2.485 -3.177 1.00 61.05 N ATOM 1059 CA ASP A 71 -8.616 -3.546 -3.916 1.00 53.03 C ATOM 1060 C ASP A 71 -7.648 -4.701 -4.233 1.00 72.43 C ATOM 1061 O ASP A 71 -7.951 -5.869 -3.967 1.00 3.20 O ATOM 1062 CB ASP A 71 -9.230 -2.996 -5.211 1.00 42.50 C ATOM 1063 CG ASP A 71 -10.113 -4.021 -5.915 1.00 33.23 C ATOM 1064 OD1 ASP A 71 -11.326 -4.072 -5.618 1.00 22.44 O ATOM 1065 OD2 ASP A 71 -9.600 -4.783 -6.762 1.00 13.41 O ATOM 0 H ASP A 71 -7.798 -1.616 -3.698 1.00 61.05 H new ATOM 0 HA ASP A 71 -9.423 -3.926 -3.289 1.00 53.03 H new ATOM 0 HB2 ASP A 71 -9.820 -2.108 -4.982 1.00 42.50 H new ATOM 0 HB3 ASP A 71 -8.432 -2.684 -5.885 1.00 42.50 H new ATOM 1070 N TYR A 72 -6.477 -4.368 -4.790 1.00 3.12 N ATOM 1071 CA TYR A 72 -5.437 -5.371 -5.065 1.00 54.43 C ATOM 1072 C TYR A 72 -5.108 -6.180 -3.800 1.00 34.03 C ATOM 1073 O TYR A 72 -5.149 -7.407 -3.804 1.00 0.04 O ATOM 1074 CB TYR A 72 -4.150 -4.702 -5.586 1.00 54.14 C ATOM 1075 CG TYR A 72 -4.263 -4.095 -6.976 1.00 22.33 C ATOM 1076 CD1 TYR A 72 -4.319 -4.901 -8.109 1.00 51.52 C ATOM 1077 CD2 TYR A 72 -4.294 -2.718 -7.157 1.00 45.42 C ATOM 1078 CE1 TYR A 72 -4.405 -4.354 -9.374 1.00 32.13 C ATOM 1079 CE2 TYR A 72 -4.383 -2.164 -8.419 1.00 71.22 C ATOM 1080 CZ TYR A 72 -4.440 -2.985 -9.524 1.00 43.31 C ATOM 1081 OH TYR A 72 -4.519 -2.433 -10.784 1.00 50.24 O ATOM 0 H TYR A 72 -6.225 -3.417 -5.059 1.00 3.12 H new ATOM 0 HA TYR A 72 -5.826 -6.043 -5.830 1.00 54.43 H new ATOM 0 HB2 TYR A 72 -3.855 -3.920 -4.886 1.00 54.14 H new ATOM 0 HB3 TYR A 72 -3.350 -5.442 -5.592 1.00 54.14 H new ATOM 0 HD1 TYR A 72 -4.295 -5.975 -7.997 1.00 51.52 H new ATOM 0 HD2 TYR A 72 -4.248 -2.069 -6.295 1.00 45.42 H new ATOM 0 HE1 TYR A 72 -4.445 -4.996 -10.241 1.00 32.13 H new ATOM 0 HE2 TYR A 72 -4.408 -1.091 -8.539 1.00 71.22 H new ATOM 0 HH TYR A 72 -3.935 -1.648 -10.834 1.00 50.24 H new ATOM 1091 N CYS A 73 -4.808 -5.474 -2.712 1.00 24.44 N ATOM 1092 CA CYS A 73 -4.444 -6.105 -1.436 1.00 43.25 C ATOM 1093 C CYS A 73 -5.587 -6.945 -0.850 1.00 22.01 C ATOM 1094 O CYS A 73 -5.382 -8.099 -0.478 1.00 23.41 O ATOM 1095 CB CYS A 73 -4.018 -5.041 -0.416 1.00 74.51 C ATOM 1096 SG CYS A 73 -2.531 -4.120 -0.881 1.00 44.43 S ATOM 0 H CYS A 73 -4.809 -4.454 -2.685 1.00 24.44 H new ATOM 0 HA CYS A 73 -3.611 -6.776 -1.644 1.00 43.25 H new ATOM 0 HB2 CYS A 73 -4.839 -4.337 -0.277 1.00 74.51 H new ATOM 0 HB3 CYS A 73 -3.846 -5.524 0.546 1.00 74.51 H new ATOM 0 HG CYS A 73 -2.843 -3.201 -1.746 1.00 44.43 H new ATOM 1102 N SER A 74 -6.784 -6.364 -0.764 1.00 53.21 N ATOM 1103 CA SER A 74 -7.953 -7.059 -0.186 1.00 74.10 C ATOM 1104 C SER A 74 -8.248 -8.380 -0.912 1.00 23.32 C ATOM 1105 O SER A 74 -8.572 -9.389 -0.285 1.00 52.13 O ATOM 1106 CB SER A 74 -9.195 -6.159 -0.236 1.00 1.42 C ATOM 1107 OG SER A 74 -10.333 -6.819 0.299 1.00 63.30 O ATOM 0 H SER A 74 -6.978 -5.415 -1.085 1.00 53.21 H new ATOM 0 HA SER A 74 -7.710 -7.287 0.852 1.00 74.10 H new ATOM 0 HB2 SER A 74 -9.006 -5.244 0.325 1.00 1.42 H new ATOM 0 HB3 SER A 74 -9.393 -5.866 -1.267 1.00 1.42 H new ATOM 0 HG SER A 74 -11.108 -6.221 0.255 1.00 63.30 H new ATOM 1113 N GLY A 75 -8.128 -8.370 -2.236 1.00 54.13 N ATOM 1114 CA GLY A 75 -8.354 -9.581 -3.017 1.00 53.55 C ATOM 1115 C GLY A 75 -7.171 -10.547 -2.990 1.00 64.11 C ATOM 1116 O GLY A 75 -7.352 -11.764 -2.963 1.00 64.32 O ATOM 0 H GLY A 75 -7.879 -7.547 -2.785 1.00 54.13 H new ATOM 0 HA2 GLY A 75 -9.239 -10.091 -2.636 1.00 53.55 H new ATOM 0 HA3 GLY A 75 -8.565 -9.305 -4.050 1.00 53.55 H new ATOM 1120 N TYR A 76 -5.957 -10.000 -2.994 1.00 63.24 N ATOM 1121 CA TYR A 76 -4.733 -10.806 -3.062 1.00 41.34 C ATOM 1122 C TYR A 76 -4.422 -11.520 -1.731 1.00 23.01 C ATOM 1123 O TYR A 76 -4.015 -12.682 -1.725 1.00 4.52 O ATOM 1124 CB TYR A 76 -3.551 -9.907 -3.458 1.00 53.35 C ATOM 1125 CG TYR A 76 -2.301 -10.653 -3.892 1.00 1.14 C ATOM 1126 CD1 TYR A 76 -2.132 -11.045 -5.217 1.00 32.01 C ATOM 1127 CD2 TYR A 76 -1.285 -10.953 -2.986 1.00 61.31 C ATOM 1128 CE1 TYR A 76 -0.996 -11.710 -5.628 1.00 64.15 C ATOM 1129 CE2 TYR A 76 -0.144 -11.618 -3.393 1.00 11.31 C ATOM 1130 CZ TYR A 76 -0.006 -11.995 -4.713 1.00 44.34 C ATOM 1131 OH TYR A 76 1.131 -12.649 -5.126 1.00 70.23 O ATOM 0 H TYR A 76 -5.791 -8.995 -2.951 1.00 63.24 H new ATOM 0 HA TYR A 76 -4.890 -11.580 -3.813 1.00 41.34 H new ATOM 0 HB2 TYR A 76 -3.867 -9.252 -4.270 1.00 53.35 H new ATOM 0 HB3 TYR A 76 -3.300 -9.267 -2.612 1.00 53.35 H new ATOM 0 HD1 TYR A 76 -2.906 -10.824 -5.937 1.00 32.01 H new ATOM 0 HD2 TYR A 76 -1.391 -10.662 -1.951 1.00 61.31 H new ATOM 0 HE1 TYR A 76 -0.883 -12.006 -6.661 1.00 64.15 H new ATOM 0 HE2 TYR A 76 0.636 -11.842 -2.681 1.00 11.31 H new ATOM 0 HH TYR A 76 1.732 -12.774 -4.362 1.00 70.23 H new ATOM 1141 N VAL A 77 -4.623 -10.826 -0.606 1.00 75.34 N ATOM 1142 CA VAL A 77 -4.190 -11.334 0.706 1.00 71.41 C ATOM 1143 C VAL A 77 -4.892 -12.649 1.103 1.00 72.24 C ATOM 1144 O VAL A 77 -4.253 -13.566 1.617 1.00 73.13 O ATOM 1145 CB VAL A 77 -4.362 -10.273 1.829 1.00 25.31 C ATOM 1146 CG1 VAL A 77 -5.830 -9.969 2.126 1.00 14.34 C ATOM 1147 CG2 VAL A 77 -3.626 -10.709 3.091 1.00 5.02 C ATOM 0 H VAL A 77 -5.080 -9.915 -0.574 1.00 75.34 H new ATOM 0 HA VAL A 77 -3.127 -11.551 0.597 1.00 71.41 H new ATOM 0 HB VAL A 77 -3.919 -9.345 1.468 1.00 25.31 H new ATOM 0 HG11 VAL A 77 -5.894 -9.222 2.917 1.00 14.34 H new ATOM 0 HG12 VAL A 77 -6.312 -9.586 1.226 1.00 14.34 H new ATOM 0 HG13 VAL A 77 -6.333 -10.881 2.447 1.00 14.34 H new ATOM 0 HG21 VAL A 77 -3.757 -9.955 3.867 1.00 5.02 H new ATOM 0 HG22 VAL A 77 -4.030 -11.660 3.437 1.00 5.02 H new ATOM 0 HG23 VAL A 77 -2.564 -10.824 2.872 1.00 5.02 H new ATOM 1157 N ASP A 78 -6.196 -12.753 0.847 1.00 43.43 N ATOM 1158 CA ASP A 78 -6.937 -13.990 1.141 1.00 22.42 C ATOM 1159 C ASP A 78 -6.643 -15.090 0.103 1.00 0.33 C ATOM 1160 O ASP A 78 -7.174 -16.202 0.187 1.00 73.22 O ATOM 1161 CB ASP A 78 -8.441 -13.710 1.209 1.00 71.23 C ATOM 1162 CG ASP A 78 -8.798 -12.804 2.375 1.00 41.34 C ATOM 1163 OD1 ASP A 78 -8.907 -13.305 3.516 1.00 2.13 O ATOM 1164 OD2 ASP A 78 -8.962 -11.586 2.163 1.00 41.14 O ATOM 0 H ASP A 78 -6.761 -12.007 0.441 1.00 43.43 H new ATOM 0 HA ASP A 78 -6.600 -14.352 2.112 1.00 22.42 H new ATOM 0 HB2 ASP A 78 -8.766 -13.247 0.277 1.00 71.23 H new ATOM 0 HB3 ASP A 78 -8.981 -14.652 1.303 1.00 71.23 H new ATOM 1169 N CYS A 79 -5.805 -14.770 -0.884 1.00 23.13 N ATOM 1170 CA CYS A 79 -5.337 -15.758 -1.867 1.00 62.34 C ATOM 1171 C CYS A 79 -3.942 -16.286 -1.498 1.00 62.11 C ATOM 1172 O CYS A 79 -3.400 -17.155 -2.181 1.00 71.51 O ATOM 1173 CB CYS A 79 -5.298 -15.143 -3.277 1.00 42.33 C ATOM 1174 SG CYS A 79 -6.904 -14.612 -3.913 1.00 63.33 S ATOM 0 H CYS A 79 -5.433 -13.831 -1.027 1.00 23.13 H new ATOM 0 HA CYS A 79 -6.040 -16.591 -1.858 1.00 62.34 H new ATOM 0 HB2 CYS A 79 -4.625 -14.286 -3.266 1.00 42.33 H new ATOM 0 HB3 CYS A 79 -4.873 -15.873 -3.966 1.00 42.33 H new ATOM 0 HG CYS A 79 -7.228 -13.473 -3.376 1.00 63.33 H new ATOM 1180 N ILE A 80 -3.364 -15.750 -0.422 1.00 62.24 N ATOM 1181 CA ILE A 80 -2.032 -16.164 0.042 1.00 23.31 C ATOM 1182 C ILE A 80 -2.115 -17.385 0.981 1.00 53.33 C ATOM 1183 O ILE A 80 -2.580 -17.273 2.116 1.00 31.00 O ATOM 1184 CB ILE A 80 -1.309 -15.002 0.777 1.00 70.34 C ATOM 1185 CG1 ILE A 80 -1.153 -13.793 -0.161 1.00 61.24 C ATOM 1186 CG2 ILE A 80 0.051 -15.457 1.309 1.00 44.12 C ATOM 1187 CD1 ILE A 80 -0.507 -12.587 0.493 1.00 74.42 C ATOM 0 H ILE A 80 -3.797 -15.024 0.149 1.00 62.24 H new ATOM 0 HA ILE A 80 -1.460 -16.439 -0.844 1.00 23.31 H new ATOM 0 HB ILE A 80 -1.918 -14.701 1.630 1.00 70.34 H new ATOM 0 HG12 ILE A 80 -0.556 -14.089 -1.024 1.00 61.24 H new ATOM 0 HG13 ILE A 80 -2.136 -13.508 -0.536 1.00 61.24 H new ATOM 0 HG21 ILE A 80 0.538 -14.626 1.820 1.00 44.12 H new ATOM 0 HG22 ILE A 80 -0.089 -16.281 2.009 1.00 44.12 H new ATOM 0 HG23 ILE A 80 0.674 -15.788 0.478 1.00 44.12 H new ATOM 0 HD11 ILE A 80 -0.432 -11.777 -0.232 1.00 74.42 H new ATOM 0 HD12 ILE A 80 -1.114 -12.263 1.338 1.00 74.42 H new ATOM 0 HD13 ILE A 80 0.490 -12.854 0.843 1.00 74.42 H new ATOM 1199 N PRO A 81 -1.660 -18.573 0.519 1.00 13.21 N ATOM 1200 CA PRO A 81 -1.678 -19.806 1.333 1.00 64.13 C ATOM 1201 C PRO A 81 -0.710 -19.741 2.524 1.00 63.25 C ATOM 1202 O PRO A 81 -0.924 -20.380 3.554 1.00 12.51 O ATOM 1203 CB PRO A 81 -1.239 -20.906 0.343 1.00 73.44 C ATOM 1204 CG PRO A 81 -1.365 -20.292 -1.014 1.00 61.33 C ATOM 1205 CD PRO A 81 -1.113 -18.823 -0.824 1.00 33.41 C ATOM 0 HA PRO A 81 -2.659 -19.980 1.774 1.00 64.13 H new ATOM 0 HB2 PRO A 81 -0.214 -21.223 0.537 1.00 73.44 H new ATOM 0 HB3 PRO A 81 -1.869 -21.791 0.434 1.00 73.44 H new ATOM 0 HG2 PRO A 81 -0.645 -20.726 -1.708 1.00 61.33 H new ATOM 0 HG3 PRO A 81 -2.356 -20.468 -1.432 1.00 61.33 H new ATOM 0 HD2 PRO A 81 -0.051 -18.584 -0.880 1.00 33.41 H new ATOM 0 HD3 PRO A 81 -1.615 -18.224 -1.584 1.00 33.41 H new ATOM 1213 N GLN A 82 0.360 -18.963 2.376 1.00 21.02 N ATOM 1214 CA GLN A 82 1.363 -18.816 3.435 1.00 15.30 C ATOM 1215 C GLN A 82 0.898 -17.797 4.484 1.00 74.11 C ATOM 1216 O GLN A 82 1.091 -16.596 4.310 1.00 35.03 O ATOM 1217 CB GLN A 82 2.715 -18.372 2.844 1.00 52.32 C ATOM 1218 CG GLN A 82 3.253 -19.294 1.752 1.00 63.43 C ATOM 1219 CD GLN A 82 2.544 -19.112 0.417 1.00 15.43 C ATOM 1220 OE1 GLN A 82 2.390 -20.051 -0.358 1.00 74.25 O ATOM 1221 NE2 GLN A 82 2.124 -17.894 0.126 1.00 1.44 N ATOM 0 H GLN A 82 0.557 -18.423 1.533 1.00 21.02 H new ATOM 0 HA GLN A 82 1.488 -19.786 3.916 1.00 15.30 H new ATOM 0 HB2 GLN A 82 2.608 -17.367 2.435 1.00 52.32 H new ATOM 0 HB3 GLN A 82 3.449 -18.313 3.648 1.00 52.32 H new ATOM 0 HG2 GLN A 82 4.319 -19.108 1.619 1.00 63.43 H new ATOM 0 HG3 GLN A 82 3.148 -20.330 2.075 1.00 63.43 H new ATOM 0 HE21 GLN A 82 2.266 -17.133 0.790 1.00 1.44 H new ATOM 0 HE22 GLN A 82 1.657 -17.714 -0.763 1.00 1.44 H new ATOM 1230 N THR A 83 0.280 -18.278 5.567 1.00 41.20 N ATOM 1231 CA THR A 83 -0.236 -17.394 6.628 1.00 35.30 C ATOM 1232 C THR A 83 0.842 -16.438 7.163 1.00 30.13 C ATOM 1233 O THR A 83 0.548 -15.304 7.534 1.00 21.01 O ATOM 1234 CB THR A 83 -0.827 -18.205 7.810 1.00 54.03 C ATOM 1235 OG1 THR A 83 -1.865 -19.077 7.335 1.00 12.31 O ATOM 1236 CG2 THR A 83 -1.401 -17.284 8.885 1.00 11.30 C ATOM 0 H THR A 83 0.123 -19.272 5.736 1.00 41.20 H new ATOM 0 HA THR A 83 -1.027 -16.803 6.167 1.00 35.30 H new ATOM 0 HB THR A 83 -0.019 -18.790 8.249 1.00 54.03 H new ATOM 0 HG1 THR A 83 -2.233 -19.587 8.086 1.00 12.31 H new ATOM 0 HG21 THR A 83 -1.807 -17.884 9.699 1.00 11.30 H new ATOM 0 HG22 THR A 83 -0.612 -16.637 9.269 1.00 11.30 H new ATOM 0 HG23 THR A 83 -2.194 -16.672 8.455 1.00 11.30 H new ATOM 1244 N ARG A 84 2.092 -16.898 7.188 1.00 70.44 N ATOM 1245 CA ARG A 84 3.218 -16.065 7.634 1.00 73.25 C ATOM 1246 C ARG A 84 3.395 -14.831 6.728 1.00 21.24 C ATOM 1247 O ARG A 84 3.619 -13.718 7.210 1.00 45.41 O ATOM 1248 CB ARG A 84 4.507 -16.902 7.671 1.00 61.22 C ATOM 1249 CG ARG A 84 4.415 -18.111 8.600 1.00 71.23 C ATOM 1250 CD ARG A 84 4.235 -17.692 10.057 1.00 44.55 C ATOM 1251 NE ARG A 84 3.787 -18.798 10.900 1.00 72.31 N ATOM 1252 CZ ARG A 84 3.851 -18.803 12.205 1.00 34.41 C ATOM 1253 NH1 ARG A 84 4.417 -17.833 12.848 1.00 40.11 N ATOM 1254 NH2 ARG A 84 3.358 -19.797 12.864 1.00 14.44 N ATOM 0 H ARG A 84 2.355 -17.842 6.906 1.00 70.44 H new ATOM 0 HA ARG A 84 3.001 -15.705 8.640 1.00 73.25 H new ATOM 0 HB2 ARG A 84 4.739 -17.244 6.662 1.00 61.22 H new ATOM 0 HB3 ARG A 84 5.334 -16.269 7.991 1.00 61.22 H new ATOM 0 HG2 ARG A 84 3.578 -18.740 8.296 1.00 71.23 H new ATOM 0 HG3 ARG A 84 5.318 -18.713 8.504 1.00 71.23 H new ATOM 0 HD2 ARG A 84 5.179 -17.305 10.441 1.00 44.55 H new ATOM 0 HD3 ARG A 84 3.511 -16.879 10.112 1.00 44.55 H new ATOM 0 HE ARG A 84 3.398 -19.621 10.439 1.00 72.31 H new ATOM 0 HH11 ARG A 84 4.822 -17.049 12.336 1.00 40.11 H new ATOM 0 HH12 ARG A 84 4.458 -17.852 13.867 1.00 40.11 H new ATOM 0 HH21 ARG A 84 2.922 -20.573 12.366 1.00 14.44 H new ATOM 0 HH22 ARG A 84 3.405 -19.807 13.883 1.00 14.44 H new ATOM 1268 N ASN A 85 3.287 -15.036 5.416 1.00 3.34 N ATOM 1269 CA ASN A 85 3.317 -13.932 4.449 1.00 43.04 C ATOM 1270 C ASN A 85 2.008 -13.131 4.490 1.00 72.23 C ATOM 1271 O ASN A 85 2.017 -11.907 4.394 1.00 43.12 O ATOM 1272 CB ASN A 85 3.544 -14.476 3.036 1.00 11.10 C ATOM 1273 CG ASN A 85 4.880 -15.178 2.890 1.00 71.24 C ATOM 1274 OD1 ASN A 85 5.011 -16.351 3.207 1.00 64.14 O ATOM 1275 ND2 ASN A 85 5.873 -14.473 2.397 1.00 51.33 N ATOM 0 H ASN A 85 3.178 -15.958 4.994 1.00 3.34 H new ATOM 0 HA ASN A 85 4.139 -13.268 4.718 1.00 43.04 H new ATOM 0 HB2 ASN A 85 2.743 -15.171 2.785 1.00 11.10 H new ATOM 0 HB3 ASN A 85 3.489 -13.655 2.321 1.00 11.10 H new ATOM 0 HD21 ASN A 85 6.789 -14.903 2.268 1.00 51.33 H new ATOM 0 HD22 ASN A 85 5.728 -13.496 2.143 1.00 51.33 H new ATOM 1282 N LYS A 86 0.888 -13.839 4.638 1.00 72.22 N ATOM 1283 CA LYS A 86 -0.439 -13.210 4.687 1.00 33.31 C ATOM 1284 C LYS A 86 -0.547 -12.221 5.858 1.00 34.42 C ATOM 1285 O LYS A 86 -1.095 -11.127 5.717 1.00 43.01 O ATOM 1286 CB LYS A 86 -1.532 -14.281 4.824 1.00 55.14 C ATOM 1287 CG LYS A 86 -2.948 -13.730 4.678 1.00 4.31 C ATOM 1288 CD LYS A 86 -4.020 -14.787 4.943 1.00 11.53 C ATOM 1289 CE LYS A 86 -4.091 -15.175 6.416 1.00 62.22 C ATOM 1290 NZ LYS A 86 -5.211 -16.113 6.688 1.00 50.51 N ATOM 0 H LYS A 86 0.870 -14.855 4.727 1.00 72.22 H new ATOM 0 HA LYS A 86 -0.577 -12.661 3.755 1.00 33.31 H new ATOM 0 HB2 LYS A 86 -1.371 -15.051 4.070 1.00 55.14 H new ATOM 0 HB3 LYS A 86 -1.437 -14.763 5.797 1.00 55.14 H new ATOM 0 HG2 LYS A 86 -3.084 -12.899 5.370 1.00 4.31 H new ATOM 0 HG3 LYS A 86 -3.077 -13.331 3.672 1.00 4.31 H new ATOM 0 HD2 LYS A 86 -4.990 -14.408 4.621 1.00 11.53 H new ATOM 0 HD3 LYS A 86 -3.810 -15.674 4.345 1.00 11.53 H new ATOM 0 HE2 LYS A 86 -3.150 -15.636 6.716 1.00 62.22 H new ATOM 0 HE3 LYS A 86 -4.213 -14.278 7.022 1.00 62.22 H new ATOM 0 HZ1 LYS A 86 -5.225 -16.353 7.700 1.00 50.51 H new ATOM 0 HZ2 LYS A 86 -6.112 -15.664 6.426 1.00 50.51 H new ATOM 0 HZ3 LYS A 86 -5.081 -16.980 6.129 1.00 50.51 H new ATOM 1304 N PHE A 87 -0.021 -12.623 7.012 1.00 11.40 N ATOM 1305 CA PHE A 87 -0.025 -11.784 8.212 1.00 35.34 C ATOM 1306 C PHE A 87 0.819 -10.516 7.999 1.00 20.00 C ATOM 1307 O PHE A 87 0.337 -9.399 8.191 1.00 12.54 O ATOM 1308 CB PHE A 87 0.508 -12.585 9.408 1.00 5.01 C ATOM 1309 CG PHE A 87 0.371 -11.876 10.733 1.00 20.41 C ATOM 1310 CD1 PHE A 87 -0.856 -11.816 11.378 1.00 72.13 C ATOM 1311 CD2 PHE A 87 1.467 -11.271 11.331 1.00 13.42 C ATOM 1312 CE1 PHE A 87 -0.987 -11.167 12.590 1.00 21.31 C ATOM 1313 CE2 PHE A 87 1.341 -10.619 12.544 1.00 50.02 C ATOM 1314 CZ PHE A 87 0.111 -10.568 13.173 1.00 13.33 C ATOM 0 H PHE A 87 0.418 -13.534 7.144 1.00 11.40 H new ATOM 0 HA PHE A 87 -1.050 -11.476 8.416 1.00 35.34 H new ATOM 0 HB2 PHE A 87 -0.022 -13.536 9.460 1.00 5.01 H new ATOM 0 HB3 PHE A 87 1.560 -12.815 9.238 1.00 5.01 H new ATOM 0 HD1 PHE A 87 -1.719 -12.283 10.927 1.00 72.13 H new ATOM 0 HD2 PHE A 87 2.430 -11.310 10.843 1.00 13.42 H new ATOM 0 HE1 PHE A 87 -1.948 -11.128 13.081 1.00 21.31 H new ATOM 0 HE2 PHE A 87 2.201 -10.151 12.999 1.00 50.02 H new ATOM 0 HZ PHE A 87 0.009 -10.060 14.120 1.00 13.33 H new ATOM 1324 N ALA A 88 2.077 -10.703 7.593 1.00 73.05 N ATOM 1325 CA ALA A 88 2.976 -9.577 7.293 1.00 52.13 C ATOM 1326 C ALA A 88 2.384 -8.658 6.212 1.00 54.21 C ATOM 1327 O ALA A 88 2.534 -7.437 6.260 1.00 72.33 O ATOM 1328 CB ALA A 88 4.344 -10.095 6.859 1.00 22.43 C ATOM 0 H ALA A 88 2.500 -11.622 7.463 1.00 73.05 H new ATOM 0 HA ALA A 88 3.091 -8.988 8.203 1.00 52.13 H new ATOM 0 HB1 ALA A 88 5.000 -9.252 6.640 1.00 22.43 H new ATOM 0 HB2 ALA A 88 4.778 -10.693 7.660 1.00 22.43 H new ATOM 0 HB3 ALA A 88 4.234 -10.710 5.966 1.00 22.43 H new ATOM 1334 N PHE A 89 1.710 -9.259 5.238 1.00 24.14 N ATOM 1335 CA PHE A 89 1.029 -8.507 4.184 1.00 73.01 C ATOM 1336 C PHE A 89 -0.155 -7.716 4.759 1.00 75.41 C ATOM 1337 O PHE A 89 -0.340 -6.539 4.449 1.00 24.21 O ATOM 1338 CB PHE A 89 0.548 -9.467 3.085 1.00 71.41 C ATOM 1339 CG PHE A 89 -0.010 -8.781 1.862 1.00 54.14 C ATOM 1340 CD1 PHE A 89 -1.352 -8.437 1.789 1.00 5.40 C ATOM 1341 CD2 PHE A 89 0.808 -8.488 0.779 1.00 3.31 C ATOM 1342 CE1 PHE A 89 -1.866 -7.820 0.669 1.00 0.15 C ATOM 1343 CE2 PHE A 89 0.295 -7.868 -0.344 1.00 13.23 C ATOM 1344 CZ PHE A 89 -1.042 -7.535 -0.399 1.00 3.30 C ATOM 0 H PHE A 89 1.619 -10.271 5.154 1.00 24.14 H new ATOM 0 HA PHE A 89 1.734 -7.797 3.752 1.00 73.01 H new ATOM 0 HB2 PHE A 89 1.381 -10.102 2.783 1.00 71.41 H new ATOM 0 HB3 PHE A 89 -0.217 -10.122 3.501 1.00 71.41 H new ATOM 0 HD1 PHE A 89 -2.003 -8.656 2.622 1.00 5.40 H new ATOM 0 HD2 PHE A 89 1.856 -8.747 0.815 1.00 3.31 H new ATOM 0 HE1 PHE A 89 -2.913 -7.560 0.628 1.00 0.15 H new ATOM 0 HE2 PHE A 89 0.942 -7.644 -1.179 1.00 13.23 H new ATOM 0 HZ PHE A 89 -1.443 -7.052 -1.278 1.00 3.30 H new ATOM 1354 N ARG A 90 -0.954 -8.367 5.609 1.00 3.11 N ATOM 1355 CA ARG A 90 -2.119 -7.718 6.215 1.00 10.35 C ATOM 1356 C ARG A 90 -1.721 -6.551 7.122 1.00 72.34 C ATOM 1357 O ARG A 90 -2.319 -5.484 7.043 1.00 10.43 O ATOM 1358 CB ARG A 90 -2.986 -8.713 7.014 1.00 23.22 C ATOM 1359 CG ARG A 90 -4.220 -9.229 6.267 1.00 23.13 C ATOM 1360 CD ARG A 90 -4.951 -8.112 5.511 1.00 11.45 C ATOM 1361 NE ARG A 90 -5.075 -6.888 6.305 1.00 13.01 N ATOM 1362 CZ ARG A 90 -5.695 -5.803 5.914 1.00 74.32 C ATOM 1363 NH1 ARG A 90 -6.344 -5.780 4.794 1.00 74.20 N ATOM 1364 NH2 ARG A 90 -5.663 -4.739 6.654 1.00 3.31 N ATOM 0 H ARG A 90 -0.816 -9.337 5.892 1.00 3.11 H new ATOM 0 HA ARG A 90 -2.708 -7.330 5.384 1.00 10.35 H new ATOM 0 HB2 ARG A 90 -2.368 -9.565 7.299 1.00 23.22 H new ATOM 0 HB3 ARG A 90 -3.311 -8.232 7.936 1.00 23.22 H new ATOM 0 HG2 ARG A 90 -3.918 -10.004 5.563 1.00 23.13 H new ATOM 0 HG3 ARG A 90 -4.905 -9.693 6.977 1.00 23.13 H new ATOM 0 HD2 ARG A 90 -4.415 -7.890 4.588 1.00 11.45 H new ATOM 0 HD3 ARG A 90 -5.944 -8.459 5.227 1.00 11.45 H new ATOM 0 HE ARG A 90 -4.647 -6.880 7.231 1.00 13.01 H new ATOM 0 HH11 ARG A 90 -6.376 -6.613 4.206 1.00 74.20 H new ATOM 0 HH12 ARG A 90 -6.823 -4.929 4.500 1.00 74.20 H new ATOM 0 HH21 ARG A 90 -5.156 -4.748 7.539 1.00 3.31 H new ATOM 0 HH22 ARG A 90 -6.145 -3.893 6.351 1.00 3.31 H new ATOM 1378 N GLU A 91 -0.734 -6.755 7.993 1.00 33.11 N ATOM 1379 CA GLU A 91 -0.288 -5.686 8.891 1.00 60.14 C ATOM 1380 C GLU A 91 0.253 -4.490 8.090 1.00 75.02 C ATOM 1381 O GLU A 91 -0.020 -3.336 8.421 1.00 74.21 O ATOM 1382 CB GLU A 91 0.772 -6.194 9.884 1.00 24.40 C ATOM 1383 CG GLU A 91 2.074 -6.654 9.239 1.00 30.14 C ATOM 1384 CD GLU A 91 3.151 -6.982 10.258 1.00 40.25 C ATOM 1385 OE1 GLU A 91 3.062 -8.039 10.912 1.00 52.15 O ATOM 1386 OE2 GLU A 91 4.087 -6.167 10.427 1.00 12.15 O ATOM 0 H GLU A 91 -0.233 -7.637 8.097 1.00 33.11 H new ATOM 0 HA GLU A 91 -1.154 -5.355 9.465 1.00 60.14 H new ATOM 0 HB2 GLU A 91 0.995 -5.399 10.596 1.00 24.40 H new ATOM 0 HB3 GLU A 91 0.351 -7.023 10.453 1.00 24.40 H new ATOM 0 HG2 GLU A 91 1.880 -7.534 8.626 1.00 30.14 H new ATOM 0 HG3 GLU A 91 2.438 -5.874 8.570 1.00 30.14 H new ATOM 1393 N ALA A 92 1.000 -4.774 7.025 1.00 32.22 N ATOM 1394 CA ALA A 92 1.493 -3.731 6.121 1.00 15.32 C ATOM 1395 C ALA A 92 0.331 -2.925 5.515 1.00 1.34 C ATOM 1396 O ALA A 92 0.333 -1.691 5.539 1.00 72.23 O ATOM 1397 CB ALA A 92 2.338 -4.357 5.020 1.00 34.20 C ATOM 0 H ALA A 92 1.279 -5.720 6.764 1.00 32.22 H new ATOM 0 HA ALA A 92 2.111 -3.042 6.697 1.00 15.32 H new ATOM 0 HB1 ALA A 92 2.701 -3.576 4.352 1.00 34.20 H new ATOM 0 HB2 ALA A 92 3.186 -4.878 5.464 1.00 34.20 H new ATOM 0 HB3 ALA A 92 1.732 -5.066 4.455 1.00 34.20 H new ATOM 1403 N VAL A 93 -0.665 -3.634 4.979 1.00 44.13 N ATOM 1404 CA VAL A 93 -1.870 -2.995 4.434 1.00 30.33 C ATOM 1405 C VAL A 93 -2.645 -2.245 5.529 1.00 53.54 C ATOM 1406 O VAL A 93 -3.204 -1.174 5.285 1.00 1.11 O ATOM 1407 CB VAL A 93 -2.805 -4.034 3.760 1.00 20.35 C ATOM 1408 CG1 VAL A 93 -4.093 -3.376 3.254 1.00 75.50 C ATOM 1409 CG2 VAL A 93 -2.077 -4.740 2.619 1.00 3.32 C ATOM 0 H VAL A 93 -0.663 -4.652 4.910 1.00 44.13 H new ATOM 0 HA VAL A 93 -1.538 -2.280 3.681 1.00 30.33 H new ATOM 0 HB VAL A 93 -3.083 -4.775 4.509 1.00 20.35 H new ATOM 0 HG11 VAL A 93 -4.727 -4.129 2.787 1.00 75.50 H new ATOM 0 HG12 VAL A 93 -4.624 -2.923 4.092 1.00 75.50 H new ATOM 0 HG13 VAL A 93 -3.845 -2.606 2.523 1.00 75.50 H new ATOM 0 HG21 VAL A 93 -2.745 -5.466 2.155 1.00 3.32 H new ATOM 0 HG22 VAL A 93 -1.767 -4.006 1.876 1.00 3.32 H new ATOM 0 HG23 VAL A 93 -1.199 -5.253 3.010 1.00 3.32 H new ATOM 1419 N SER A 94 -2.656 -2.808 6.738 1.00 32.13 N ATOM 1420 CA SER A 94 -3.321 -2.176 7.887 1.00 61.21 C ATOM 1421 C SER A 94 -2.745 -0.785 8.172 1.00 34.15 C ATOM 1422 O SER A 94 -3.445 0.092 8.670 1.00 34.33 O ATOM 1423 CB SER A 94 -3.210 -3.057 9.142 1.00 23.25 C ATOM 1424 OG SER A 94 -3.901 -4.292 8.976 1.00 43.13 O ATOM 0 H SER A 94 -2.212 -3.701 6.951 1.00 32.13 H new ATOM 0 HA SER A 94 -4.374 -2.065 7.629 1.00 61.21 H new ATOM 0 HB2 SER A 94 -2.160 -3.253 9.359 1.00 23.25 H new ATOM 0 HB3 SER A 94 -3.618 -2.523 10.000 1.00 23.25 H new ATOM 0 HG SER A 94 -3.425 -4.848 8.324 1.00 43.13 H new ATOM 1430 N LYS A 95 -1.461 -0.589 7.865 1.00 4.45 N ATOM 1431 CA LYS A 95 -0.848 0.744 7.934 1.00 73.23 C ATOM 1432 C LYS A 95 -1.272 1.608 6.735 1.00 74.20 C ATOM 1433 O LYS A 95 -1.612 2.781 6.895 1.00 21.43 O ATOM 1434 CB LYS A 95 0.691 0.656 7.984 1.00 74.35 C ATOM 1435 CG LYS A 95 1.278 0.422 9.374 1.00 70.02 C ATOM 1436 CD LYS A 95 0.980 -0.972 9.905 1.00 20.21 C ATOM 1437 CE LYS A 95 1.635 -1.204 11.260 1.00 34.53 C ATOM 1438 NZ LYS A 95 3.103 -0.950 11.223 1.00 54.34 N ATOM 0 H LYS A 95 -0.827 -1.330 7.568 1.00 4.45 H new ATOM 0 HA LYS A 95 -1.201 1.210 8.854 1.00 73.23 H new ATOM 0 HB2 LYS A 95 1.015 -0.152 7.328 1.00 74.35 H new ATOM 0 HB3 LYS A 95 1.106 1.580 7.581 1.00 74.35 H new ATOM 0 HG2 LYS A 95 2.357 0.571 9.339 1.00 70.02 H new ATOM 0 HG3 LYS A 95 0.876 1.164 10.064 1.00 70.02 H new ATOM 0 HD2 LYS A 95 -0.098 -1.106 9.993 1.00 20.21 H new ATOM 0 HD3 LYS A 95 1.337 -1.717 9.194 1.00 20.21 H new ATOM 0 HE2 LYS A 95 1.173 -0.552 12.002 1.00 34.53 H new ATOM 0 HE3 LYS A 95 1.453 -2.230 11.579 1.00 34.53 H new ATOM 0 HZ1 LYS A 95 3.554 -1.399 12.046 1.00 54.34 H new ATOM 0 HZ2 LYS A 95 3.502 -1.349 10.349 1.00 54.34 H new ATOM 0 HZ3 LYS A 95 3.279 0.075 11.248 1.00 54.34 H new ATOM 1452 N LEU A 96 -1.249 1.016 5.539 1.00 1.01 N ATOM 1453 CA LEU A 96 -1.573 1.740 4.305 1.00 41.24 C ATOM 1454 C LEU A 96 -2.968 2.386 4.374 1.00 72.14 C ATOM 1455 O LEU A 96 -3.119 3.583 4.127 1.00 21.33 O ATOM 1456 CB LEU A 96 -1.502 0.787 3.100 1.00 1.44 C ATOM 1457 CG LEU A 96 -1.763 1.438 1.729 1.00 44.21 C ATOM 1458 CD1 LEU A 96 -0.660 2.433 1.379 1.00 33.52 C ATOM 1459 CD2 LEU A 96 -1.903 0.376 0.638 1.00 44.51 C ATOM 0 H LEU A 96 -1.009 0.035 5.397 1.00 1.01 H new ATOM 0 HA LEU A 96 -0.838 2.537 4.187 1.00 41.24 H new ATOM 0 HB2 LEU A 96 -0.515 0.324 3.082 1.00 1.44 H new ATOM 0 HB3 LEU A 96 -2.227 -0.013 3.248 1.00 1.44 H new ATOM 0 HG LEU A 96 -2.704 1.985 1.791 1.00 44.21 H new ATOM 0 HD11 LEU A 96 -0.868 2.879 0.406 1.00 33.52 H new ATOM 0 HD12 LEU A 96 -0.622 3.216 2.137 1.00 33.52 H new ATOM 0 HD13 LEU A 96 0.299 1.916 1.344 1.00 33.52 H new ATOM 0 HD21 LEU A 96 -2.087 0.861 -0.321 1.00 44.51 H new ATOM 0 HD22 LEU A 96 -0.985 -0.208 0.579 1.00 44.51 H new ATOM 0 HD23 LEU A 96 -2.738 -0.283 0.877 1.00 44.51 H new ATOM 1471 N GLU A 97 -3.979 1.590 4.727 1.00 14.41 N ATOM 1472 CA GLU A 97 -5.362 2.084 4.817 1.00 34.33 C ATOM 1473 C GLU A 97 -5.490 3.247 5.820 1.00 34.43 C ATOM 1474 O GLU A 97 -6.149 4.251 5.537 1.00 22.12 O ATOM 1475 CB GLU A 97 -6.317 0.938 5.193 1.00 11.25 C ATOM 1476 CG GLU A 97 -5.926 0.188 6.463 1.00 20.24 C ATOM 1477 CD GLU A 97 -6.855 -0.978 6.775 1.00 12.13 C ATOM 1478 OE1 GLU A 97 -6.593 -2.101 6.291 1.00 11.41 O ATOM 1479 OE2 GLU A 97 -7.847 -0.776 7.508 1.00 52.10 O ATOM 0 H GLU A 97 -3.871 0.602 4.956 1.00 14.41 H new ATOM 0 HA GLU A 97 -5.640 2.468 3.835 1.00 34.33 H new ATOM 0 HB2 GLU A 97 -7.321 1.343 5.319 1.00 11.25 H new ATOM 0 HB3 GLU A 97 -6.360 0.230 4.365 1.00 11.25 H new ATOM 0 HG2 GLU A 97 -4.907 -0.184 6.359 1.00 20.24 H new ATOM 0 HG3 GLU A 97 -5.928 0.882 7.303 1.00 20.24 H new ATOM 1486 N LEU A 98 -4.842 3.112 6.980 1.00 20.41 N ATOM 1487 CA LEU A 98 -4.845 4.173 7.999 1.00 45.35 C ATOM 1488 C LEU A 98 -4.163 5.447 7.478 1.00 23.43 C ATOM 1489 O LEU A 98 -4.701 6.549 7.605 1.00 22.14 O ATOM 1490 CB LEU A 98 -4.148 3.698 9.285 1.00 64.10 C ATOM 1491 CG LEU A 98 -4.835 2.533 10.018 1.00 62.44 C ATOM 1492 CD1 LEU A 98 -4.050 2.140 11.269 1.00 73.35 C ATOM 1493 CD2 LEU A 98 -6.280 2.888 10.369 1.00 62.22 C ATOM 0 H LEU A 98 -4.309 2.282 7.240 1.00 20.41 H new ATOM 0 HA LEU A 98 -5.886 4.405 8.225 1.00 45.35 H new ATOM 0 HB2 LEU A 98 -3.130 3.398 9.036 1.00 64.10 H new ATOM 0 HB3 LEU A 98 -4.073 4.542 9.970 1.00 64.10 H new ATOM 0 HG LEU A 98 -4.853 1.674 9.347 1.00 62.44 H new ATOM 0 HD11 LEU A 98 -4.555 1.314 11.771 1.00 73.35 H new ATOM 0 HD12 LEU A 98 -3.044 1.831 10.985 1.00 73.35 H new ATOM 0 HD13 LEU A 98 -3.991 2.993 11.944 1.00 73.35 H new ATOM 0 HD21 LEU A 98 -6.745 2.049 10.887 1.00 62.22 H new ATOM 0 HD22 LEU A 98 -6.292 3.765 11.016 1.00 62.22 H new ATOM 0 HD23 LEU A 98 -6.834 3.103 9.455 1.00 62.22 H new ATOM 1505 N SER A 99 -2.986 5.283 6.877 1.00 63.32 N ATOM 1506 CA SER A 99 -2.216 6.416 6.343 1.00 72.12 C ATOM 1507 C SER A 99 -3.001 7.184 5.267 1.00 23.21 C ATOM 1508 O SER A 99 -3.026 8.414 5.261 1.00 43.10 O ATOM 1509 CB SER A 99 -0.883 5.931 5.760 1.00 30.52 C ATOM 1510 OG SER A 99 -0.088 5.278 6.736 1.00 33.13 O ATOM 0 H SER A 99 -2.540 4.375 6.745 1.00 63.32 H new ATOM 0 HA SER A 99 -2.025 7.096 7.173 1.00 72.12 H new ATOM 0 HB2 SER A 99 -1.075 5.249 4.932 1.00 30.52 H new ATOM 0 HB3 SER A 99 -0.334 6.780 5.353 1.00 30.52 H new ATOM 0 HG SER A 99 -0.463 4.392 6.924 1.00 33.13 H new ATOM 1516 N LEU A 100 -3.650 6.454 4.365 1.00 51.14 N ATOM 1517 CA LEU A 100 -4.431 7.076 3.286 1.00 72.40 C ATOM 1518 C LEU A 100 -5.632 7.872 3.828 1.00 41.33 C ATOM 1519 O LEU A 100 -5.900 8.993 3.379 1.00 43.13 O ATOM 1520 CB LEU A 100 -4.915 6.010 2.294 1.00 42.14 C ATOM 1521 CG LEU A 100 -3.803 5.287 1.521 1.00 21.40 C ATOM 1522 CD1 LEU A 100 -4.378 4.176 0.652 1.00 13.25 C ATOM 1523 CD2 LEU A 100 -3.010 6.274 0.667 1.00 5.24 C ATOM 0 H LEU A 100 -3.655 5.434 4.354 1.00 51.14 H new ATOM 0 HA LEU A 100 -3.773 7.777 2.773 1.00 72.40 H new ATOM 0 HB2 LEU A 100 -5.499 5.268 2.838 1.00 42.14 H new ATOM 0 HB3 LEU A 100 -5.587 6.482 1.577 1.00 42.14 H new ATOM 0 HG LEU A 100 -3.127 4.837 2.248 1.00 21.40 H new ATOM 0 HD11 LEU A 100 -3.570 3.679 0.115 1.00 13.25 H new ATOM 0 HD12 LEU A 100 -4.894 3.452 1.282 1.00 13.25 H new ATOM 0 HD13 LEU A 100 -5.082 4.601 -0.063 1.00 13.25 H new ATOM 0 HD21 LEU A 100 -2.227 5.741 0.128 1.00 5.24 H new ATOM 0 HD22 LEU A 100 -3.678 6.757 -0.046 1.00 5.24 H new ATOM 0 HD23 LEU A 100 -2.558 7.030 1.309 1.00 5.24 H new ATOM 1535 N GLN A 101 -6.356 7.298 4.792 1.00 3.34 N ATOM 1536 CA GLN A 101 -7.548 7.959 5.346 1.00 62.45 C ATOM 1537 C GLN A 101 -7.184 9.166 6.230 1.00 43.20 C ATOM 1538 O GLN A 101 -7.941 10.135 6.306 1.00 12.22 O ATOM 1539 CB GLN A 101 -8.422 6.968 6.131 1.00 1.33 C ATOM 1540 CG GLN A 101 -7.732 6.333 7.331 1.00 53.14 C ATOM 1541 CD GLN A 101 -8.659 5.442 8.142 1.00 42.55 C ATOM 1542 OE1 GLN A 101 -9.606 4.869 7.618 1.00 33.40 O ATOM 1543 NE2 GLN A 101 -8.388 5.312 9.423 1.00 54.04 N ATOM 0 H GLN A 101 -6.145 6.389 5.203 1.00 3.34 H new ATOM 0 HA GLN A 101 -8.121 8.331 4.497 1.00 62.45 H new ATOM 0 HB2 GLN A 101 -9.318 7.486 6.474 1.00 1.33 H new ATOM 0 HB3 GLN A 101 -8.750 6.178 5.456 1.00 1.33 H new ATOM 0 HG2 GLN A 101 -6.881 5.745 6.986 1.00 53.14 H new ATOM 0 HG3 GLN A 101 -7.337 7.119 7.974 1.00 53.14 H new ATOM 0 HE21 GLN A 101 -7.591 5.803 9.828 1.00 54.04 H new ATOM 0 HE22 GLN A 101 -8.975 4.720 10.011 1.00 54.04 H new ATOM 1552 N GLU A 102 -6.037 9.110 6.909 1.00 73.43 N ATOM 1553 CA GLU A 102 -5.579 10.253 7.709 1.00 12.01 C ATOM 1554 C GLU A 102 -4.923 11.331 6.826 1.00 60.43 C ATOM 1555 O GLU A 102 -4.970 12.519 7.149 1.00 22.12 O ATOM 1556 CB GLU A 102 -4.621 9.811 8.827 1.00 63.03 C ATOM 1557 CG GLU A 102 -3.301 9.226 8.339 1.00 10.32 C ATOM 1558 CD GLU A 102 -2.419 8.734 9.479 1.00 25.33 C ATOM 1559 OE1 GLU A 102 -1.719 9.562 10.096 1.00 21.15 O ATOM 1560 OE2 GLU A 102 -2.425 7.517 9.765 1.00 65.53 O ATOM 0 H GLU A 102 -5.416 8.301 6.924 1.00 73.43 H new ATOM 0 HA GLU A 102 -6.461 10.691 8.177 1.00 12.01 H new ATOM 0 HB2 GLU A 102 -4.409 10.669 9.465 1.00 63.03 H new ATOM 0 HB3 GLU A 102 -5.125 9.069 9.447 1.00 63.03 H new ATOM 0 HG2 GLU A 102 -3.504 8.399 7.659 1.00 10.32 H new ATOM 0 HG3 GLU A 102 -2.762 9.982 7.768 1.00 10.32 H new ATOM 1567 N LEU A 103 -4.320 10.923 5.707 1.00 61.30 N ATOM 1568 CA LEU A 103 -3.701 11.877 4.770 1.00 42.21 C ATOM 1569 C LEU A 103 -4.753 12.769 4.092 1.00 54.23 C ATOM 1570 O LEU A 103 -4.634 13.994 4.092 1.00 61.21 O ATOM 1571 CB LEU A 103 -2.882 11.143 3.698 1.00 70.23 C ATOM 1572 CG LEU A 103 -2.185 12.058 2.672 1.00 3.43 C ATOM 1573 CD1 LEU A 103 -1.181 12.987 3.356 1.00 62.01 C ATOM 1574 CD2 LEU A 103 -1.501 11.236 1.584 1.00 63.05 C ATOM 0 H LEU A 103 -4.245 9.946 5.424 1.00 61.30 H new ATOM 0 HA LEU A 103 -3.036 12.511 5.356 1.00 42.21 H new ATOM 0 HB2 LEU A 103 -2.125 10.535 4.193 1.00 70.23 H new ATOM 0 HB3 LEU A 103 -3.541 10.459 3.164 1.00 70.23 H new ATOM 0 HG LEU A 103 -2.951 12.675 2.203 1.00 3.43 H new ATOM 0 HD11 LEU A 103 -0.704 13.621 2.609 1.00 62.01 H new ATOM 0 HD12 LEU A 103 -1.700 13.611 4.084 1.00 62.01 H new ATOM 0 HD13 LEU A 103 -0.422 12.392 3.864 1.00 62.01 H new ATOM 0 HD21 LEU A 103 -1.017 11.905 0.873 1.00 63.05 H new ATOM 0 HD22 LEU A 103 -0.753 10.584 2.036 1.00 63.05 H new ATOM 0 HD23 LEU A 103 -2.244 10.630 1.065 1.00 63.05 H new ATOM 1586 N GLN A 104 -5.789 12.150 3.525 1.00 75.11 N ATOM 1587 CA GLN A 104 -6.858 12.893 2.835 1.00 3.53 C ATOM 1588 C GLN A 104 -7.496 13.970 3.734 1.00 62.21 C ATOM 1589 O GLN A 104 -8.063 14.947 3.242 1.00 54.42 O ATOM 1590 CB GLN A 104 -7.941 11.924 2.336 1.00 13.23 C ATOM 1591 CG GLN A 104 -8.565 11.084 3.443 1.00 73.14 C ATOM 1592 CD GLN A 104 -9.634 10.133 2.938 1.00 64.51 C ATOM 1593 OE1 GLN A 104 -10.816 10.461 2.907 1.00 31.02 O ATOM 1594 NE2 GLN A 104 -9.228 8.948 2.538 1.00 74.42 N ATOM 0 H GLN A 104 -5.916 11.138 3.527 1.00 75.11 H new ATOM 0 HA GLN A 104 -6.399 13.402 1.987 1.00 3.53 H new ATOM 0 HB2 GLN A 104 -8.725 12.494 1.838 1.00 13.23 H new ATOM 0 HB3 GLN A 104 -7.506 11.260 1.589 1.00 13.23 H new ATOM 0 HG2 GLN A 104 -7.783 10.511 3.941 1.00 73.14 H new ATOM 0 HG3 GLN A 104 -9.000 11.746 4.192 1.00 73.14 H new ATOM 0 HE21 GLN A 104 -8.237 8.708 2.577 1.00 74.42 H new ATOM 0 HE22 GLN A 104 -9.904 8.269 2.188 1.00 74.42 H new ATOM 1603 N VAL A 105 -7.404 13.788 5.052 1.00 62.10 N ATOM 1604 CA VAL A 105 -7.958 14.754 6.011 1.00 20.55 C ATOM 1605 C VAL A 105 -6.863 15.624 6.662 1.00 33.40 C ATOM 1606 O VAL A 105 -7.166 16.571 7.391 1.00 42.31 O ATOM 1607 CB VAL A 105 -8.760 14.036 7.127 1.00 32.23 C ATOM 1608 CG1 VAL A 105 -9.886 13.194 6.530 1.00 43.01 C ATOM 1609 CG2 VAL A 105 -7.843 13.178 7.997 1.00 31.34 C ATOM 0 H VAL A 105 -6.952 12.982 5.483 1.00 62.10 H new ATOM 0 HA VAL A 105 -8.622 15.403 5.440 1.00 20.55 H new ATOM 0 HB VAL A 105 -9.207 14.800 7.763 1.00 32.23 H new ATOM 0 HG11 VAL A 105 -10.435 12.700 7.332 1.00 43.01 H new ATOM 0 HG12 VAL A 105 -10.564 13.838 5.969 1.00 43.01 H new ATOM 0 HG13 VAL A 105 -9.464 12.443 5.862 1.00 43.01 H new ATOM 0 HG21 VAL A 105 -8.432 12.686 8.771 1.00 31.34 H new ATOM 0 HG22 VAL A 105 -7.355 12.425 7.379 1.00 31.34 H new ATOM 0 HG23 VAL A 105 -7.087 13.810 8.463 1.00 31.34 H new ATOM 1619 N SER A 106 -5.595 15.298 6.407 1.00 72.54 N ATOM 1620 CA SER A 106 -4.465 16.041 7.004 1.00 52.40 C ATOM 1621 C SER A 106 -3.442 16.506 5.954 1.00 11.14 C ATOM 1622 O SER A 106 -2.349 16.944 6.308 1.00 42.32 O ATOM 1623 CB SER A 106 -3.744 15.172 8.046 1.00 4.41 C ATOM 1624 OG SER A 106 -4.635 14.724 9.057 1.00 63.30 O ATOM 0 H SER A 106 -5.317 14.530 5.796 1.00 72.54 H new ATOM 0 HA SER A 106 -4.892 16.926 7.476 1.00 52.40 H new ATOM 0 HB2 SER A 106 -3.290 14.312 7.553 1.00 4.41 H new ATOM 0 HB3 SER A 106 -2.934 15.743 8.500 1.00 4.41 H new ATOM 0 HG SER A 106 -4.965 13.830 8.829 1.00 63.30 H new ATOM 1630 N SER A 107 -3.795 16.412 4.670 1.00 31.53 N ATOM 1631 CA SER A 107 -2.881 16.792 3.574 1.00 13.10 C ATOM 1632 C SER A 107 -2.383 18.237 3.711 1.00 23.22 C ATOM 1633 O SER A 107 -1.174 18.472 3.721 1.00 25.40 O ATOM 1634 CB SER A 107 -3.555 16.595 2.206 1.00 23.14 C ATOM 1635 OG SER A 107 -4.753 17.348 2.090 1.00 4.31 O ATOM 0 H SER A 107 -4.706 16.077 4.357 1.00 31.53 H new ATOM 0 HA SER A 107 -2.015 16.134 3.643 1.00 13.10 H new ATOM 0 HB2 SER A 107 -2.864 16.889 1.416 1.00 23.14 H new ATOM 0 HB3 SER A 107 -3.776 15.538 2.059 1.00 23.14 H new ATOM 0 HG SER A 107 -5.150 17.197 1.207 1.00 4.31 H new ATOM 1641 N ALA A 108 -3.317 19.190 3.806 1.00 4.41 N ATOM 1642 CA ALA A 108 -2.997 20.617 4.022 1.00 14.24 C ATOM 1643 C ALA A 108 -2.187 21.233 2.862 1.00 11.51 C ATOM 1644 O ALA A 108 -2.686 22.081 2.124 1.00 75.35 O ATOM 1645 CB ALA A 108 -2.265 20.810 5.350 1.00 23.12 C ATOM 0 H ALA A 108 -4.317 19.000 3.736 1.00 4.41 H new ATOM 0 HA ALA A 108 -3.948 21.148 4.057 1.00 14.24 H new ATOM 0 HB1 ALA A 108 -2.038 21.867 5.490 1.00 23.12 H new ATOM 0 HB2 ALA A 108 -2.897 20.463 6.168 1.00 23.12 H new ATOM 0 HB3 ALA A 108 -1.337 20.238 5.340 1.00 23.12 H new ATOM 1651 N ALA A 109 -0.938 20.800 2.717 1.00 20.31 N ATOM 1652 CA ALA A 109 -0.053 21.264 1.642 1.00 41.41 C ATOM 1653 C ALA A 109 -0.669 21.104 0.238 1.00 41.31 C ATOM 1654 O ALA A 109 -0.214 21.738 -0.715 1.00 43.33 O ATOM 1655 CB ALA A 109 1.261 20.504 1.716 1.00 52.35 C ATOM 0 H ALA A 109 -0.506 20.117 3.340 1.00 20.31 H new ATOM 0 HA ALA A 109 0.107 22.332 1.792 1.00 41.41 H new ATOM 0 HB1 ALA A 109 1.923 20.844 0.920 1.00 52.35 H new ATOM 0 HB2 ALA A 109 1.732 20.685 2.682 1.00 52.35 H new ATOM 0 HB3 ALA A 109 1.071 19.437 1.599 1.00 52.35 H new ATOM 1661 N ALA A 110 -1.683 20.240 0.122 1.00 64.00 N ATOM 1662 CA ALA A 110 -2.391 19.989 -1.148 1.00 21.15 C ATOM 1663 C ALA A 110 -1.557 19.147 -2.134 1.00 30.41 C ATOM 1664 O ALA A 110 -2.004 18.089 -2.588 1.00 2.14 O ATOM 1665 CB ALA A 110 -2.837 21.300 -1.795 1.00 21.32 C ATOM 0 H ALA A 110 -2.040 19.692 0.905 1.00 64.00 H new ATOM 0 HA ALA A 110 -3.277 19.404 -0.902 1.00 21.15 H new ATOM 0 HB1 ALA A 110 -3.356 21.086 -2.729 1.00 21.32 H new ATOM 0 HB2 ALA A 110 -3.509 21.829 -1.119 1.00 21.32 H new ATOM 0 HB3 ALA A 110 -1.964 21.921 -1.998 1.00 21.32 H new ATOM 1671 N GLY A 111 -0.352 19.613 -2.467 1.00 14.53 N ATOM 1672 CA GLY A 111 0.504 18.880 -3.395 1.00 22.14 C ATOM 1673 C GLY A 111 1.989 18.985 -3.070 1.00 52.12 C ATOM 1674 O GLY A 111 2.776 19.478 -3.878 1.00 31.23 O ATOM 0 H GLY A 111 0.047 20.482 -2.113 1.00 14.53 H new ATOM 0 HA2 GLY A 111 0.213 17.829 -3.391 1.00 22.14 H new ATOM 0 HA3 GLY A 111 0.335 19.254 -4.405 1.00 22.14 H new ATOM 1678 N VAL A 112 2.376 18.516 -1.884 1.00 54.02 N ATOM 1679 CA VAL A 112 3.783 18.548 -1.455 1.00 41.25 C ATOM 1680 C VAL A 112 4.199 17.225 -0.777 1.00 34.32 C ATOM 1681 O VAL A 112 3.496 16.718 0.103 1.00 12.14 O ATOM 1682 CB VAL A 112 4.046 19.722 -0.472 1.00 24.50 C ATOM 1683 CG1 VAL A 112 5.512 19.769 -0.046 1.00 65.24 C ATOM 1684 CG2 VAL A 112 3.622 21.057 -1.084 1.00 30.33 C ATOM 0 H VAL A 112 1.739 18.108 -1.200 1.00 54.02 H new ATOM 0 HA VAL A 112 4.380 18.690 -2.356 1.00 41.25 H new ATOM 0 HB VAL A 112 3.441 19.547 0.417 1.00 24.50 H new ATOM 0 HG11 VAL A 112 5.665 20.601 0.642 1.00 65.24 H new ATOM 0 HG12 VAL A 112 5.777 18.835 0.450 1.00 65.24 H new ATOM 0 HG13 VAL A 112 6.142 19.905 -0.925 1.00 65.24 H new ATOM 0 HG21 VAL A 112 3.817 21.861 -0.374 1.00 30.33 H new ATOM 0 HG22 VAL A 112 4.188 21.234 -1.998 1.00 30.33 H new ATOM 0 HG23 VAL A 112 2.557 21.029 -1.316 1.00 30.33 H new ATOM 1694 N PRO A 113 5.342 16.633 -1.191 1.00 25.55 N ATOM 1695 CA PRO A 113 5.874 15.410 -0.571 1.00 70.11 C ATOM 1696 C PRO A 113 6.680 15.694 0.714 1.00 12.32 C ATOM 1697 O PRO A 113 7.255 16.769 0.874 1.00 74.42 O ATOM 1698 CB PRO A 113 6.779 14.851 -1.673 1.00 12.22 C ATOM 1699 CG PRO A 113 7.296 16.060 -2.379 1.00 74.41 C ATOM 1700 CD PRO A 113 6.194 17.094 -2.312 1.00 20.31 C ATOM 0 HA PRO A 113 5.087 14.729 -0.248 1.00 70.11 H new ATOM 0 HB2 PRO A 113 7.592 14.257 -1.256 1.00 12.22 H new ATOM 0 HB3 PRO A 113 6.225 14.202 -2.351 1.00 12.22 H new ATOM 0 HG2 PRO A 113 8.205 16.429 -1.904 1.00 74.41 H new ATOM 0 HG3 PRO A 113 7.549 15.828 -3.413 1.00 74.41 H new ATOM 0 HD2 PRO A 113 6.593 18.092 -2.127 1.00 20.31 H new ATOM 0 HD3 PRO A 113 5.634 17.143 -3.246 1.00 20.31 H new ATOM 1708 N GLY A 114 6.698 14.734 1.642 1.00 53.54 N ATOM 1709 CA GLY A 114 7.493 14.877 2.864 1.00 75.04 C ATOM 1710 C GLY A 114 6.856 15.771 3.937 1.00 12.14 C ATOM 1711 O GLY A 114 6.939 15.463 5.124 1.00 11.31 O ATOM 0 H GLY A 114 6.178 13.859 1.573 1.00 53.54 H new ATOM 0 HA2 GLY A 114 7.665 13.888 3.288 1.00 75.04 H new ATOM 0 HA3 GLY A 114 8.469 15.285 2.602 1.00 75.04 H new ATOM 1715 N THR A 115 6.222 16.872 3.517 1.00 61.32 N ATOM 1716 CA THR A 115 5.621 17.860 4.444 1.00 14.42 C ATOM 1717 C THR A 115 4.821 17.218 5.596 1.00 11.42 C ATOM 1718 O THR A 115 4.853 17.706 6.725 1.00 63.43 O ATOM 1719 CB THR A 115 4.694 18.846 3.691 1.00 0.43 C ATOM 1720 OG1 THR A 115 4.085 19.771 4.609 1.00 22.40 O ATOM 1721 CG2 THR A 115 3.609 18.099 2.926 1.00 70.32 C ATOM 0 H THR A 115 6.107 17.110 2.532 1.00 61.32 H new ATOM 0 HA THR A 115 6.468 18.391 4.878 1.00 14.42 H new ATOM 0 HB THR A 115 5.308 19.399 2.980 1.00 0.43 H new ATOM 0 HG1 THR A 115 3.504 20.387 4.116 1.00 22.40 H new ATOM 0 HG21 THR A 115 2.972 18.815 2.406 1.00 70.32 H new ATOM 0 HG22 THR A 115 4.071 17.430 2.200 1.00 70.32 H new ATOM 0 HG23 THR A 115 3.007 17.517 3.624 1.00 70.32 H new ATOM 1729 N ASN A 116 4.108 16.129 5.313 1.00 41.30 N ATOM 1730 CA ASN A 116 3.352 15.410 6.350 1.00 11.31 C ATOM 1731 C ASN A 116 4.021 14.068 6.682 1.00 61.22 C ATOM 1732 O ASN A 116 4.339 13.295 5.778 1.00 52.20 O ATOM 1733 CB ASN A 116 1.905 15.161 5.900 1.00 73.31 C ATOM 1734 CG ASN A 116 1.145 16.443 5.624 1.00 25.31 C ATOM 1735 OD1 ASN A 116 0.594 17.063 6.526 1.00 12.24 O ATOM 1736 ND2 ASN A 116 1.083 16.839 4.370 1.00 12.10 N ATOM 0 H ASN A 116 4.035 15.723 4.380 1.00 41.30 H new ATOM 0 HA ASN A 116 3.344 16.035 7.243 1.00 11.31 H new ATOM 0 HB2 ASN A 116 1.910 14.547 5.000 1.00 73.31 H new ATOM 0 HB3 ASN A 116 1.383 14.593 6.670 1.00 73.31 H new ATOM 0 HD21 ASN A 116 0.566 17.684 4.127 1.00 12.10 H new ATOM 0 HD22 ASN A 116 1.552 16.301 3.642 1.00 12.10 H new ATOM 1743 N PRO A 117 4.228 13.757 7.981 1.00 61.25 N ATOM 1744 CA PRO A 117 4.802 12.465 8.407 1.00 44.44 C ATOM 1745 C PRO A 117 4.012 11.269 7.850 1.00 61.02 C ATOM 1746 O PRO A 117 4.559 10.183 7.645 1.00 22.11 O ATOM 1747 CB PRO A 117 4.716 12.509 9.947 1.00 45.01 C ATOM 1748 CG PRO A 117 3.784 13.636 10.260 1.00 52.31 C ATOM 1749 CD PRO A 117 3.936 14.624 9.135 1.00 4.43 C ATOM 0 HA PRO A 117 5.819 12.331 8.038 1.00 44.44 H new ATOM 0 HB2 PRO A 117 4.341 11.567 10.347 1.00 45.01 H new ATOM 0 HB3 PRO A 117 5.697 12.676 10.391 1.00 45.01 H new ATOM 0 HG2 PRO A 117 2.755 13.283 10.333 1.00 52.31 H new ATOM 0 HG3 PRO A 117 4.033 14.094 11.218 1.00 52.31 H new ATOM 0 HD2 PRO A 117 3.028 15.208 8.983 1.00 4.43 H new ATOM 0 HD3 PRO A 117 4.743 15.332 9.324 1.00 4.43 H new ATOM 1757 N VAL A 118 2.720 11.489 7.600 1.00 14.34 N ATOM 1758 CA VAL A 118 1.853 10.484 6.975 1.00 74.40 C ATOM 1759 C VAL A 118 2.432 9.994 5.634 1.00 2.43 C ATOM 1760 O VAL A 118 2.333 8.817 5.289 1.00 53.51 O ATOM 1761 CB VAL A 118 0.433 11.053 6.725 1.00 24.31 C ATOM 1762 CG1 VAL A 118 -0.493 9.973 6.171 1.00 55.31 C ATOM 1763 CG2 VAL A 118 -0.141 11.660 8.004 1.00 64.45 C ATOM 0 H VAL A 118 2.245 12.364 7.823 1.00 14.34 H new ATOM 0 HA VAL A 118 1.795 9.644 7.668 1.00 74.40 H new ATOM 0 HB VAL A 118 0.510 11.846 5.981 1.00 24.31 H new ATOM 0 HG11 VAL A 118 -1.484 10.395 6.003 1.00 55.31 H new ATOM 0 HG12 VAL A 118 -0.093 9.599 5.228 1.00 55.31 H new ATOM 0 HG13 VAL A 118 -0.564 9.153 6.886 1.00 55.31 H new ATOM 0 HG21 VAL A 118 -1.138 12.053 7.805 1.00 64.45 H new ATOM 0 HG22 VAL A 118 -0.201 10.893 8.776 1.00 64.45 H new ATOM 0 HG23 VAL A 118 0.506 12.468 8.345 1.00 64.45 H new ATOM 1773 N LEU A 119 3.044 10.913 4.891 1.00 22.15 N ATOM 1774 CA LEU A 119 3.673 10.589 3.604 1.00 23.00 C ATOM 1775 C LEU A 119 4.871 9.649 3.798 1.00 21.34 C ATOM 1776 O LEU A 119 5.092 8.731 3.006 1.00 31.12 O ATOM 1777 CB LEU A 119 4.117 11.880 2.903 1.00 52.31 C ATOM 1778 CG LEU A 119 2.983 12.871 2.595 1.00 33.32 C ATOM 1779 CD1 LEU A 119 3.535 14.181 2.041 1.00 1.43 C ATOM 1780 CD2 LEU A 119 1.982 12.250 1.622 1.00 44.05 C ATOM 0 H LEU A 119 3.120 11.895 5.157 1.00 22.15 H new ATOM 0 HA LEU A 119 2.941 10.076 2.981 1.00 23.00 H new ATOM 0 HB2 LEU A 119 4.857 12.380 3.528 1.00 52.31 H new ATOM 0 HB3 LEU A 119 4.614 11.617 1.969 1.00 52.31 H new ATOM 0 HG LEU A 119 2.465 13.095 3.527 1.00 33.32 H new ATOM 0 HD11 LEU A 119 2.711 14.863 1.832 1.00 1.43 H new ATOM 0 HD12 LEU A 119 4.204 14.633 2.774 1.00 1.43 H new ATOM 0 HD13 LEU A 119 4.085 13.984 1.121 1.00 1.43 H new ATOM 0 HD21 LEU A 119 1.185 12.964 1.414 1.00 44.05 H new ATOM 0 HD22 LEU A 119 2.490 11.992 0.693 1.00 44.05 H new ATOM 0 HD23 LEU A 119 1.556 11.350 2.064 1.00 44.05 H new ATOM 1792 N ASN A 120 5.635 9.889 4.862 1.00 35.32 N ATOM 1793 CA ASN A 120 6.752 9.011 5.230 1.00 42.44 C ATOM 1794 C ASN A 120 6.230 7.611 5.580 1.00 31.43 C ATOM 1795 O ASN A 120 6.860 6.596 5.268 1.00 11.21 O ATOM 1796 CB ASN A 120 7.524 9.594 6.420 1.00 61.20 C ATOM 1797 CG ASN A 120 7.911 11.047 6.209 1.00 61.31 C ATOM 1798 OD1 ASN A 120 8.071 11.505 5.083 1.00 54.42 O ATOM 1799 ND2 ASN A 120 8.068 11.781 7.292 1.00 43.31 N ATOM 0 H ASN A 120 5.503 10.684 5.487 1.00 35.32 H new ATOM 0 HA ASN A 120 7.428 8.936 4.378 1.00 42.44 H new ATOM 0 HB2 ASN A 120 6.914 9.511 7.320 1.00 61.20 H new ATOM 0 HB3 ASN A 120 8.424 9.003 6.589 1.00 61.20 H new ATOM 0 HD21 ASN A 120 8.331 12.763 7.209 1.00 43.31 H new ATOM 0 HD22 ASN A 120 7.927 11.367 8.213 1.00 43.31 H new ATOM 1806 N ASN A 121 5.069 7.571 6.235 1.00 73.42 N ATOM 1807 CA ASN A 121 4.406 6.306 6.561 1.00 31.23 C ATOM 1808 C ASN A 121 3.978 5.570 5.286 1.00 71.13 C ATOM 1809 O ASN A 121 4.236 4.380 5.142 1.00 71.32 O ATOM 1810 CB ASN A 121 3.189 6.550 7.460 1.00 0.11 C ATOM 1811 CG ASN A 121 3.554 7.247 8.759 1.00 10.32 C ATOM 1812 OD1 ASN A 121 4.666 7.106 9.266 1.00 35.54 O ATOM 1813 ND2 ASN A 121 2.621 7.989 9.319 1.00 52.24 N ATOM 0 H ASN A 121 4.567 8.401 6.551 1.00 73.42 H new ATOM 0 HA ASN A 121 5.120 5.682 7.099 1.00 31.23 H new ATOM 0 HB2 ASN A 121 2.459 7.153 6.921 1.00 0.11 H new ATOM 0 HB3 ASN A 121 2.711 5.597 7.685 1.00 0.11 H new ATOM 0 HD21 ASN A 121 2.810 8.468 10.200 1.00 52.24 H new ATOM 0 HD22 ASN A 121 1.709 8.085 8.872 1.00 52.24 H new ATOM 1820 N LEU A 122 3.334 6.286 4.360 1.00 23.11 N ATOM 1821 CA LEU A 122 2.926 5.705 3.073 1.00 11.52 C ATOM 1822 C LEU A 122 4.110 5.067 2.341 1.00 30.53 C ATOM 1823 O LEU A 122 4.031 3.919 1.913 1.00 24.32 O ATOM 1824 CB LEU A 122 2.269 6.762 2.173 1.00 31.23 C ATOM 1825 CG LEU A 122 0.818 7.113 2.530 1.00 23.05 C ATOM 1826 CD1 LEU A 122 0.255 8.159 1.570 1.00 12.32 C ATOM 1827 CD2 LEU A 122 -0.049 5.860 2.516 1.00 54.11 C ATOM 0 H LEU A 122 3.083 7.268 4.475 1.00 23.11 H new ATOM 0 HA LEU A 122 2.197 4.925 3.293 1.00 11.52 H new ATOM 0 HB2 LEU A 122 2.867 7.673 2.213 1.00 31.23 H new ATOM 0 HB3 LEU A 122 2.297 6.407 1.143 1.00 31.23 H new ATOM 0 HG LEU A 122 0.809 7.536 3.535 1.00 23.05 H new ATOM 0 HD11 LEU A 122 -0.774 8.389 1.846 1.00 12.32 H new ATOM 0 HD12 LEU A 122 0.857 9.066 1.626 1.00 12.32 H new ATOM 0 HD13 LEU A 122 0.279 7.769 0.552 1.00 12.32 H new ATOM 0 HD21 LEU A 122 -1.075 6.125 2.771 1.00 54.11 H new ATOM 0 HD22 LEU A 122 -0.026 5.413 1.522 1.00 54.11 H new ATOM 0 HD23 LEU A 122 0.333 5.145 3.245 1.00 54.11 H new ATOM 1839 N LEU A 123 5.203 5.817 2.203 1.00 71.22 N ATOM 1840 CA LEU A 123 6.418 5.301 1.559 1.00 25.20 C ATOM 1841 C LEU A 123 6.859 3.974 2.201 1.00 52.34 C ATOM 1842 O LEU A 123 7.049 2.968 1.515 1.00 43.33 O ATOM 1843 CB LEU A 123 7.548 6.338 1.654 1.00 62.05 C ATOM 1844 CG LEU A 123 8.850 5.971 0.919 1.00 2.45 C ATOM 1845 CD1 LEU A 123 8.601 5.783 -0.578 1.00 14.32 C ATOM 1846 CD2 LEU A 123 9.920 7.033 1.165 1.00 13.15 C ATOM 0 H LEU A 123 5.275 6.782 2.526 1.00 71.22 H new ATOM 0 HA LEU A 123 6.195 5.114 0.509 1.00 25.20 H new ATOM 0 HB2 LEU A 123 7.182 7.285 1.257 1.00 62.05 H new ATOM 0 HB3 LEU A 123 7.780 6.501 2.707 1.00 62.05 H new ATOM 0 HG LEU A 123 9.210 5.023 1.317 1.00 2.45 H new ATOM 0 HD11 LEU A 123 9.537 5.524 -1.073 1.00 14.32 H new ATOM 0 HD12 LEU A 123 7.878 4.982 -0.729 1.00 14.32 H new ATOM 0 HD13 LEU A 123 8.211 6.709 -1.001 1.00 14.32 H new ATOM 0 HD21 LEU A 123 10.834 6.758 0.638 1.00 13.15 H new ATOM 0 HD22 LEU A 123 9.567 7.997 0.799 1.00 13.15 H new ATOM 0 HD23 LEU A 123 10.124 7.103 2.233 1.00 13.15 H new ATOM 1858 N SER A 124 6.996 3.978 3.527 1.00 40.50 N ATOM 1859 CA SER A 124 7.367 2.768 4.281 1.00 22.42 C ATOM 1860 C SER A 124 6.351 1.629 4.077 1.00 3.20 C ATOM 1861 O SER A 124 6.729 0.479 3.862 1.00 20.14 O ATOM 1862 CB SER A 124 7.481 3.093 5.780 1.00 65.10 C ATOM 1863 OG SER A 124 7.765 1.933 6.551 1.00 60.41 O ATOM 0 H SER A 124 6.856 4.805 4.107 1.00 40.50 H new ATOM 0 HA SER A 124 8.331 2.431 3.901 1.00 22.42 H new ATOM 0 HB2 SER A 124 8.267 3.833 5.933 1.00 65.10 H new ATOM 0 HB3 SER A 124 6.550 3.541 6.127 1.00 65.10 H new ATOM 0 HG SER A 124 7.832 2.178 7.498 1.00 60.41 H new ATOM 1869 N CYS A 125 5.062 1.962 4.133 1.00 13.20 N ATOM 1870 CA CYS A 125 3.987 0.966 3.998 1.00 11.12 C ATOM 1871 C CYS A 125 3.989 0.303 2.613 1.00 51.54 C ATOM 1872 O CYS A 125 3.904 -0.916 2.500 1.00 74.23 O ATOM 1873 CB CYS A 125 2.622 1.619 4.258 1.00 40.44 C ATOM 1874 SG CYS A 125 2.451 2.336 5.908 1.00 13.34 S ATOM 0 H CYS A 125 4.731 2.917 4.271 1.00 13.20 H new ATOM 0 HA CYS A 125 4.169 0.189 4.741 1.00 11.12 H new ATOM 0 HB2 CYS A 125 2.457 2.400 3.515 1.00 40.44 H new ATOM 0 HB3 CYS A 125 1.841 0.873 4.115 1.00 40.44 H new ATOM 0 HG CYS A 125 3.218 3.381 6.009 1.00 13.34 H new ATOM 1880 N VAL A 126 4.089 1.112 1.562 1.00 74.32 N ATOM 1881 CA VAL A 126 4.105 0.600 0.185 1.00 20.51 C ATOM 1882 C VAL A 126 5.315 -0.316 -0.067 1.00 52.00 C ATOM 1883 O VAL A 126 5.184 -1.404 -0.641 1.00 0.51 O ATOM 1884 CB VAL A 126 4.118 1.760 -0.842 1.00 23.31 C ATOM 1885 CG1 VAL A 126 4.209 1.229 -2.273 1.00 72.32 C ATOM 1886 CG2 VAL A 126 2.880 2.640 -0.676 1.00 33.14 C ATOM 0 H VAL A 126 4.161 2.127 1.632 1.00 74.32 H new ATOM 0 HA VAL A 126 3.193 0.017 0.056 1.00 20.51 H new ATOM 0 HB VAL A 126 5.003 2.366 -0.650 1.00 23.31 H new ATOM 0 HG11 VAL A 126 4.216 2.066 -2.972 1.00 72.32 H new ATOM 0 HG12 VAL A 126 5.126 0.651 -2.389 1.00 72.32 H new ATOM 0 HG13 VAL A 126 3.350 0.591 -2.480 1.00 72.32 H new ATOM 0 HG21 VAL A 126 2.908 3.449 -1.406 1.00 33.14 H new ATOM 0 HG22 VAL A 126 1.984 2.040 -0.833 1.00 33.14 H new ATOM 0 HG23 VAL A 126 2.864 3.060 0.330 1.00 33.14 H new ATOM 1896 N GLN A 127 6.493 0.126 0.367 1.00 12.21 N ATOM 1897 CA GLN A 127 7.720 -0.660 0.210 1.00 14.13 C ATOM 1898 C GLN A 127 7.684 -1.919 1.091 1.00 71.24 C ATOM 1899 O GLN A 127 8.274 -2.940 0.749 1.00 21.02 O ATOM 1900 CB GLN A 127 8.948 0.206 0.530 1.00 22.11 C ATOM 1901 CG GLN A 127 9.039 1.459 -0.341 1.00 74.31 C ATOM 1902 CD GLN A 127 10.261 2.313 -0.044 1.00 64.32 C ATOM 1903 OE1 GLN A 127 10.783 2.317 1.065 1.00 62.34 O ATOM 1904 NE2 GLN A 127 10.708 3.065 -1.031 1.00 72.31 N ATOM 0 H GLN A 127 6.627 1.025 0.831 1.00 12.21 H new ATOM 0 HA GLN A 127 7.792 -0.988 -0.827 1.00 14.13 H new ATOM 0 HB2 GLN A 127 8.914 0.501 1.579 1.00 22.11 H new ATOM 0 HB3 GLN A 127 9.851 -0.390 0.395 1.00 22.11 H new ATOM 0 HG2 GLN A 127 9.058 1.163 -1.390 1.00 74.31 H new ATOM 0 HG3 GLN A 127 8.141 2.060 -0.196 1.00 74.31 H new ATOM 0 HE21 GLN A 127 10.249 3.037 -1.942 1.00 72.31 H new ATOM 0 HE22 GLN A 127 11.512 3.675 -0.884 1.00 72.31 H new ATOM 1913 N GLU A 128 6.987 -1.838 2.225 1.00 51.34 N ATOM 1914 CA GLU A 128 6.749 -3.012 3.080 1.00 13.40 C ATOM 1915 C GLU A 128 5.850 -4.038 2.364 1.00 65.55 C ATOM 1916 O GLU A 128 6.232 -5.194 2.188 1.00 51.44 O ATOM 1917 CB GLU A 128 6.089 -2.568 4.398 1.00 13.15 C ATOM 1918 CG GLU A 128 5.672 -3.708 5.332 1.00 62.14 C ATOM 1919 CD GLU A 128 6.811 -4.255 6.182 1.00 41.34 C ATOM 1920 OE1 GLU A 128 7.588 -5.100 5.690 1.00 60.31 O ATOM 1921 OE2 GLU A 128 6.928 -3.854 7.362 1.00 30.51 O ATOM 0 H GLU A 128 6.575 -0.974 2.577 1.00 51.34 H new ATOM 0 HA GLU A 128 7.707 -3.485 3.294 1.00 13.40 H new ATOM 0 HB2 GLU A 128 6.781 -1.917 4.932 1.00 13.15 H new ATOM 0 HB3 GLU A 128 5.208 -1.972 4.162 1.00 13.15 H new ATOM 0 HG2 GLU A 128 4.878 -3.354 5.990 1.00 62.14 H new ATOM 0 HG3 GLU A 128 5.254 -4.519 4.736 1.00 62.14 H new ATOM 1928 N ILE A 129 4.667 -3.593 1.922 1.00 4.54 N ATOM 1929 CA ILE A 129 3.700 -4.470 1.238 1.00 32.43 C ATOM 1930 C ILE A 129 4.336 -5.199 0.046 1.00 21.33 C ATOM 1931 O ILE A 129 4.325 -6.431 -0.026 1.00 52.44 O ATOM 1932 CB ILE A 129 2.470 -3.666 0.730 1.00 31.34 C ATOM 1933 CG1 ILE A 129 1.724 -3.015 1.905 1.00 35.34 C ATOM 1934 CG2 ILE A 129 1.525 -4.561 -0.074 1.00 73.11 C ATOM 1935 CD1 ILE A 129 0.559 -2.143 1.486 1.00 54.10 C ATOM 0 H ILE A 129 4.353 -2.628 2.025 1.00 4.54 H new ATOM 0 HA ILE A 129 3.378 -5.205 1.975 1.00 32.43 H new ATOM 0 HB ILE A 129 2.833 -2.877 0.072 1.00 31.34 H new ATOM 0 HG12 ILE A 129 1.358 -3.798 2.569 1.00 35.34 H new ATOM 0 HG13 ILE A 129 2.427 -2.413 2.480 1.00 35.34 H new ATOM 0 HG21 ILE A 129 0.673 -3.974 -0.418 1.00 73.11 H new ATOM 0 HG22 ILE A 129 2.055 -4.970 -0.934 1.00 73.11 H new ATOM 0 HG23 ILE A 129 1.173 -5.377 0.556 1.00 73.11 H new ATOM 0 HD11 ILE A 129 0.084 -1.720 2.371 1.00 54.10 H new ATOM 0 HD12 ILE A 129 0.919 -1.337 0.847 1.00 54.10 H new ATOM 0 HD13 ILE A 129 -0.166 -2.744 0.937 1.00 54.10 H new ATOM 1947 N SER A 130 4.894 -4.425 -0.882 1.00 61.45 N ATOM 1948 CA SER A 130 5.526 -4.977 -2.089 1.00 62.12 C ATOM 1949 C SER A 130 6.647 -5.967 -1.740 1.00 23.10 C ATOM 1950 O SER A 130 6.759 -7.032 -2.349 1.00 42.00 O ATOM 1951 CB SER A 130 6.083 -3.846 -2.967 1.00 42.42 C ATOM 1952 OG SER A 130 6.995 -3.029 -2.247 1.00 41.42 O ATOM 0 H SER A 130 4.924 -3.407 -0.825 1.00 61.45 H new ATOM 0 HA SER A 130 4.758 -5.518 -2.642 1.00 62.12 H new ATOM 0 HB2 SER A 130 6.583 -4.272 -3.837 1.00 42.42 H new ATOM 0 HB3 SER A 130 5.261 -3.235 -3.339 1.00 42.42 H new ATOM 0 HG SER A 130 6.498 -2.434 -1.647 1.00 41.42 H new ATOM 1958 N ASP A 131 7.463 -5.617 -0.746 1.00 71.30 N ATOM 1959 CA ASP A 131 8.568 -6.478 -0.309 1.00 21.33 C ATOM 1960 C ASP A 131 8.063 -7.813 0.272 1.00 71.43 C ATOM 1961 O ASP A 131 8.658 -8.866 0.028 1.00 62.04 O ATOM 1962 CB ASP A 131 9.425 -5.737 0.719 1.00 14.00 C ATOM 1963 CG ASP A 131 10.649 -6.527 1.141 1.00 1.11 C ATOM 1964 OD1 ASP A 131 11.566 -6.697 0.311 1.00 73.52 O ATOM 1965 OD2 ASP A 131 10.693 -7.003 2.294 1.00 21.01 O ATOM 0 H ASP A 131 7.382 -4.743 -0.226 1.00 71.30 H new ATOM 0 HA ASP A 131 9.174 -6.716 -1.183 1.00 21.33 H new ATOM 0 HB2 ASP A 131 9.741 -4.781 0.301 1.00 14.00 H new ATOM 0 HB3 ASP A 131 8.820 -5.516 1.598 1.00 14.00 H new ATOM 1970 N VAL A 132 6.967 -7.769 1.036 1.00 14.21 N ATOM 1971 CA VAL A 132 6.355 -8.991 1.588 1.00 41.15 C ATOM 1972 C VAL A 132 5.966 -9.973 0.469 1.00 30.43 C ATOM 1973 O VAL A 132 6.154 -11.186 0.595 1.00 51.23 O ATOM 1974 CB VAL A 132 5.099 -8.679 2.450 1.00 30.23 C ATOM 1975 CG1 VAL A 132 4.457 -9.965 2.970 1.00 71.04 C ATOM 1976 CG2 VAL A 132 5.450 -7.748 3.609 1.00 34.44 C ATOM 0 H VAL A 132 6.484 -6.907 1.288 1.00 14.21 H new ATOM 0 HA VAL A 132 7.109 -9.449 2.228 1.00 41.15 H new ATOM 0 HB VAL A 132 4.375 -8.172 1.812 1.00 30.23 H new ATOM 0 HG11 VAL A 132 3.581 -9.718 3.570 1.00 71.04 H new ATOM 0 HG12 VAL A 132 4.156 -10.588 2.128 1.00 71.04 H new ATOM 0 HG13 VAL A 132 5.176 -10.508 3.584 1.00 71.04 H new ATOM 0 HG21 VAL A 132 4.555 -7.545 4.197 1.00 34.44 H new ATOM 0 HG22 VAL A 132 6.200 -8.222 4.242 1.00 34.44 H new ATOM 0 HG23 VAL A 132 5.846 -6.812 3.216 1.00 34.44 H new ATOM 1986 N VAL A 133 5.442 -9.433 -0.630 1.00 1.14 N ATOM 1987 CA VAL A 133 5.052 -10.244 -1.792 1.00 21.10 C ATOM 1988 C VAL A 133 6.281 -10.881 -2.472 1.00 61.21 C ATOM 1989 O VAL A 133 6.158 -11.807 -3.279 1.00 3.01 O ATOM 1990 CB VAL A 133 4.275 -9.388 -2.830 1.00 14.51 C ATOM 1991 CG1 VAL A 133 3.693 -10.256 -3.945 1.00 23.33 C ATOM 1992 CG2 VAL A 133 3.171 -8.581 -2.150 1.00 44.53 C ATOM 0 H VAL A 133 5.275 -8.433 -0.744 1.00 1.14 H new ATOM 0 HA VAL A 133 4.404 -11.040 -1.425 1.00 21.10 H new ATOM 0 HB VAL A 133 4.984 -8.694 -3.281 1.00 14.51 H new ATOM 0 HG11 VAL A 133 3.156 -9.626 -4.654 1.00 23.33 H new ATOM 0 HG12 VAL A 133 4.501 -10.776 -4.461 1.00 23.33 H new ATOM 0 HG13 VAL A 133 3.007 -10.987 -3.517 1.00 23.33 H new ATOM 0 HG21 VAL A 133 2.641 -7.989 -2.896 1.00 44.53 H new ATOM 0 HG22 VAL A 133 2.472 -9.260 -1.661 1.00 44.53 H new ATOM 0 HG23 VAL A 133 3.611 -7.917 -1.406 1.00 44.53 H new ATOM 2002 N GLN A 134 7.467 -10.380 -2.133 1.00 72.13 N ATOM 2003 CA GLN A 134 8.720 -10.871 -2.718 1.00 54.51 C ATOM 2004 C GLN A 134 9.491 -11.788 -1.750 1.00 22.53 C ATOM 2005 O GLN A 134 10.576 -12.272 -2.080 1.00 74.31 O ATOM 2006 CB GLN A 134 9.604 -9.681 -3.120 1.00 42.42 C ATOM 2007 CG GLN A 134 8.907 -8.686 -4.041 1.00 70.01 C ATOM 2008 CD GLN A 134 9.794 -7.522 -4.445 1.00 12.02 C ATOM 2009 OE1 GLN A 134 10.672 -7.099 -3.698 1.00 3.23 O ATOM 2010 NE2 GLN A 134 9.585 -7.005 -5.638 1.00 2.43 N ATOM 0 H GLN A 134 7.590 -9.630 -1.453 1.00 72.13 H new ATOM 0 HA GLN A 134 8.465 -11.462 -3.598 1.00 54.51 H new ATOM 0 HB2 GLN A 134 9.931 -9.162 -2.219 1.00 42.42 H new ATOM 0 HB3 GLN A 134 10.500 -10.056 -3.615 1.00 42.42 H new ATOM 0 HG2 GLN A 134 8.570 -9.206 -4.938 1.00 70.01 H new ATOM 0 HG3 GLN A 134 8.018 -8.301 -3.542 1.00 70.01 H new ATOM 0 HE21 GLN A 134 8.847 -7.380 -6.234 1.00 2.43 H new ATOM 0 HE22 GLN A 134 10.161 -6.230 -5.966 1.00 2.43 H new ATOM 2019 N ARG A 135 8.932 -12.033 -0.561 1.00 34.53 N ATOM 2020 CA ARG A 135 9.608 -12.862 0.459 1.00 64.14 C ATOM 2021 C ARG A 135 9.307 -14.363 0.276 1.00 43.23 C ATOM 2022 O ARG A 135 9.904 -14.978 -0.633 1.00 38.45 O ATOM 2023 CB ARG A 135 9.209 -12.396 1.868 1.00 42.14 C ATOM 2024 CG ARG A 135 9.601 -10.955 2.152 1.00 3.43 C ATOM 2025 CD ARG A 135 9.171 -10.488 3.537 1.00 51.42 C ATOM 2026 NE ARG A 135 9.408 -9.058 3.701 1.00 45.12 N ATOM 2027 CZ ARG A 135 8.865 -8.311 4.619 1.00 4.44 C ATOM 2028 NH1 ARG A 135 8.137 -8.829 5.558 1.00 42.42 N ATOM 2029 NH2 ARG A 135 9.080 -7.039 4.604 1.00 73.33 N ATOM 2030 OXT ARG A 135 8.490 -14.923 1.049 1.00 38.45 O ATOM 0 H ARG A 135 8.020 -11.675 -0.276 1.00 34.53 H new ATOM 0 HA ARG A 135 10.683 -12.733 0.332 1.00 64.14 H new ATOM 0 HB2 ARG A 135 8.131 -12.504 1.988 1.00 42.14 H new ATOM 0 HB3 ARG A 135 9.679 -13.046 2.606 1.00 42.14 H new ATOM 0 HG2 ARG A 135 10.682 -10.852 2.058 1.00 3.43 H new ATOM 0 HG3 ARG A 135 9.153 -10.306 1.399 1.00 3.43 H new ATOM 0 HD2 ARG A 135 8.113 -10.705 3.686 1.00 51.42 H new ATOM 0 HD3 ARG A 135 9.720 -11.041 4.299 1.00 51.42 H new ATOM 0 HE ARG A 135 10.048 -8.609 3.046 1.00 45.12 H new ATOM 0 HH11 ARG A 135 7.982 -9.837 5.586 1.00 42.42 H new ATOM 0 HH12 ARG A 135 7.719 -8.229 6.269 1.00 42.42 H new ATOM 0 HH21 ARG A 135 9.669 -6.630 3.879 1.00 73.33 H new ATOM 0 HH22 ARG A 135 8.661 -6.442 5.317 1.00 73.33 H new