USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1094 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 868 ASN : amide:sc= 1.33 K(o=2.6,f=-5!) USER MOD Set 1.2: A 870 SER OG : rot 32:sc= 1.24 USER MOD Set 2.1: A 847 HIS : no HD1:sc= -3.66! C(o=-4!,f=-1.4!) USER MOD Set 2.2: A 861 LYS NZ :NH3+ 141:sc= -0.329 (180deg=0) USER MOD Set 3.1: A 814 LYS NZ :NH3+ -158:sc= -0.0272 (180deg=-0.299) USER MOD Set 3.2: A 902 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.7) USER MOD Set 4.1: A 810 CYS SG : rot 140:sc= -0.501 USER MOD Set 4.2: A 864 CYS SG : rot 7:sc= -1.37 USER MOD Set 4.3: A 871 HIS : no HD1:sc= -11.2! C(o=-13!,f=-12!) USER MOD Single : A 793 SER OG : rot 180:sc= -0.0728 USER MOD Single : A 794 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 LYS NZ :NH3+ 136:sc= -3.37! (180deg=-8.79!) USER MOD Single : A 805 ASN : amide:sc= -6.5! K(o=-6.5!,f=-2.2) USER MOD Single : A 806 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 807 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 812 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 CYS SG : rot 180:sc= 0 USER MOD Single : A 818 CYS SG : rot -167:sc= -1.41 USER MOD Single : A 819 TYR OH : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 148:sc= 0.673 USER MOD Single : A 829 CYS SG : rot 16:sc= -1.17 USER MOD Single : A 830 HIS : no HD1:sc= -4.86! C(o=-4.9!,f=-4.4!) USER MOD Single : A 831 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 832 THR OG1 : rot 32:sc= 0.188 USER MOD Single : A 839 LYS NZ :NH3+ -126:sc= 1.03 (180deg=0.0368!) USER MOD Single : A 841 CYS SG : rot 79:sc= 0.042 USER MOD Single : A 844 SER OG : rot 180:sc= 0 USER MOD Single : A 849 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 851 LYS NZ :NH3+ 165:sc= -0.545 (180deg=-1.26!) USER MOD Single : A 852 GLN : amide:sc= -1.68 K(o=-1.7,f=-2.9!) USER MOD Single : A 854 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 858 LYS NZ :NH3+ 157:sc= -5! (180deg=-5.24!) USER MOD Single : A 867 GLN : amide:sc=-0.00822 K(o=-0.0082,f=-1.1) USER MOD Single : A 869 CYS SG : rot 43:sc= 0.169 USER MOD Single : A 876 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 878 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00117) USER MOD Single : A 879 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 881 THR OG1 : rot 116:sc= 0.199 USER MOD Single : A 888 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 891 SER OG : rot 110:sc= -1.35 USER MOD Single : A 899 THR OG1 : rot 180:sc= -1.83 USER MOD Single : A 903 THR OG1 : rot -12:sc= 0.13! USER MOD Single : A 905 TYR OH : rot 180:sc= 0 USER MOD Single : A 906 SER OG : rot 180:sc= 0 USER MOD Single : A 907 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 909 LYS NZ :NH3+ 157:sc= 0.0877 (180deg=0.0125) USER MOD Single : A 912 HIS : no HD1:sc= -0.771 X(o=-0.77,f=-0.77) USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 MET CE :methyl -156:sc= -7.15! (180deg=-8.39!) USER MOD Single : A 924 SER OG : rot 180:sc= 0 USER MOD Single : A 925 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 -28.227 -6.299 3.869 1.00 71.35 N ATOM 2 CA ASP A 792 -28.177 -7.109 5.074 1.00 12.11 C ATOM 3 C ASP A 792 -28.337 -8.584 4.700 1.00 50.32 C ATOM 4 O ASP A 792 -29.437 -9.129 4.768 1.00 73.41 O ATOM 5 CB ASP A 792 -29.310 -6.739 6.033 1.00 34.12 C ATOM 6 CG ASP A 792 -29.576 -5.239 6.172 1.00 53.30 C ATOM 7 OD1 ASP A 792 -29.550 -4.685 7.281 1.00 22.44 O ATOM 8 OD2 ASP A 792 -29.822 -4.624 5.065 1.00 54.01 O ATOM 0 HA ASP A 792 -27.219 -6.930 5.561 1.00 12.11 H new ATOM 0 HB2 ASP A 792 -30.225 -7.225 5.695 1.00 34.12 H new ATOM 0 HB3 ASP A 792 -29.079 -7.144 7.018 1.00 34.12 H new ATOM 14 N SER A 793 -27.223 -9.187 4.313 1.00 62.14 N ATOM 15 CA SER A 793 -27.225 -10.588 3.927 1.00 34.14 C ATOM 16 C SER A 793 -26.242 -11.372 4.799 1.00 33.31 C ATOM 17 O SER A 793 -25.390 -10.784 5.463 1.00 33.11 O ATOM 18 CB SER A 793 -26.872 -10.753 2.448 1.00 25.22 C ATOM 19 OG SER A 793 -26.939 -12.114 2.032 1.00 75.43 O ATOM 0 H SER A 793 -26.312 -8.731 4.258 1.00 62.14 H new ATOM 0 HA SER A 793 -28.230 -10.983 4.078 1.00 34.14 H new ATOM 0 HB2 SER A 793 -27.554 -10.155 1.844 1.00 25.22 H new ATOM 0 HB3 SER A 793 -25.868 -10.368 2.270 1.00 25.22 H new ATOM 0 HG SER A 793 -26.709 -12.177 1.082 1.00 75.43 H new ATOM 25 N GLN A 794 -26.394 -12.688 4.769 1.00 64.14 N ATOM 26 CA GLN A 794 -25.530 -13.559 5.548 1.00 62.04 C ATOM 27 C GLN A 794 -24.836 -14.573 4.635 1.00 11.33 C ATOM 28 O GLN A 794 -24.489 -15.669 5.071 1.00 73.52 O ATOM 29 CB GLN A 794 -26.317 -14.265 6.653 1.00 23.23 C ATOM 30 CG GLN A 794 -25.397 -14.673 7.806 1.00 61.52 C ATOM 31 CD GLN A 794 -26.174 -15.430 8.886 1.00 44.34 C ATOM 32 OE1 GLN A 794 -26.293 -16.644 8.866 1.00 43.23 O ATOM 33 NE2 GLN A 794 -26.694 -14.647 9.827 1.00 45.24 N ATOM 0 H GLN A 794 -27.102 -13.172 4.218 1.00 64.14 H new ATOM 0 HA GLN A 794 -24.765 -12.947 6.026 1.00 62.04 H new ATOM 0 HB2 GLN A 794 -27.101 -13.605 7.025 1.00 23.23 H new ATOM 0 HB3 GLN A 794 -26.810 -15.148 6.246 1.00 23.23 H new ATOM 0 HG2 GLN A 794 -24.589 -15.300 7.427 1.00 61.52 H new ATOM 0 HG3 GLN A 794 -24.936 -13.786 8.239 1.00 61.52 H new ATOM 0 HE21 GLN A 794 -26.556 -13.637 9.784 1.00 45.24 H new ATOM 0 HE22 GLN A 794 -27.230 -15.056 10.592 1.00 45.24 H new ATOM 42 N GLU A 795 -24.654 -14.170 3.386 1.00 15.53 N ATOM 43 CA GLU A 795 -24.008 -15.029 2.409 1.00 74.00 C ATOM 44 C GLU A 795 -22.508 -15.123 2.694 1.00 11.11 C ATOM 45 O GLU A 795 -21.859 -14.113 2.960 1.00 1.45 O ATOM 46 CB GLU A 795 -24.266 -14.531 0.986 1.00 42.25 C ATOM 47 CG GLU A 795 -23.392 -13.317 0.663 1.00 15.42 C ATOM 48 CD GLU A 795 -23.951 -12.541 -0.532 1.00 20.22 C ATOM 49 OE1 GLU A 795 -24.451 -11.419 -0.364 1.00 1.03 O ATOM 50 OE2 GLU A 795 -23.851 -13.144 -1.668 1.00 31.22 O ATOM 0 H GLU A 795 -24.943 -13.259 3.028 1.00 15.53 H new ATOM 0 HA GLU A 795 -24.437 -16.028 2.492 1.00 74.00 H new ATOM 0 HB2 GLU A 795 -24.061 -15.331 0.274 1.00 42.25 H new ATOM 0 HB3 GLU A 795 -25.318 -14.267 0.874 1.00 42.25 H new ATOM 0 HG2 GLU A 795 -23.337 -12.662 1.533 1.00 15.42 H new ATOM 0 HG3 GLU A 795 -22.375 -13.644 0.445 1.00 15.42 H new ATOM 58 N LYS A 796 -22.001 -16.345 2.628 1.00 30.14 N ATOM 59 CA LYS A 796 -20.589 -16.584 2.876 1.00 33.02 C ATOM 60 C LYS A 796 -19.973 -17.278 1.660 1.00 22.00 C ATOM 61 O LYS A 796 -20.685 -17.878 0.856 1.00 24.12 O ATOM 62 CB LYS A 796 -20.398 -17.352 4.185 1.00 24.24 C ATOM 63 CG LYS A 796 -20.476 -16.411 5.390 1.00 65.54 C ATOM 64 CD LYS A 796 -19.162 -15.648 5.575 1.00 75.21 C ATOM 65 CE LYS A 796 -19.406 -14.290 6.236 1.00 33.33 C ATOM 66 NZ LYS A 796 -19.689 -14.460 7.679 1.00 1.02 N ATOM 0 H LYS A 796 -22.543 -17.180 2.406 1.00 30.14 H new ATOM 0 HA LYS A 796 -20.060 -15.640 3.007 1.00 33.02 H new ATOM 0 HB2 LYS A 796 -21.162 -18.124 4.272 1.00 24.24 H new ATOM 0 HB3 LYS A 796 -19.433 -17.858 4.176 1.00 24.24 H new ATOM 0 HG2 LYS A 796 -21.295 -15.705 5.252 1.00 65.54 H new ATOM 0 HG3 LYS A 796 -20.698 -16.984 6.290 1.00 65.54 H new ATOM 0 HD2 LYS A 796 -18.478 -16.237 6.187 1.00 75.21 H new ATOM 0 HD3 LYS A 796 -18.681 -15.505 4.607 1.00 75.21 H new ATOM 0 HE2 LYS A 796 -18.532 -13.652 6.103 1.00 33.33 H new ATOM 0 HE3 LYS A 796 -20.244 -13.788 5.752 1.00 33.33 H new ATOM 0 HZ1 LYS A 796 -19.852 -13.529 8.113 1.00 1.02 H new ATOM 0 HZ2 LYS A 796 -20.536 -15.051 7.799 1.00 1.02 H new ATOM 0 HZ3 LYS A 796 -18.878 -14.919 8.140 1.00 1.02 H new ATOM 79 N PRO A 797 -18.621 -17.170 1.561 1.00 63.22 N ATOM 80 CA PRO A 797 -17.900 -17.780 0.456 1.00 33.23 C ATOM 81 C PRO A 797 -17.801 -19.296 0.637 1.00 22.21 C ATOM 82 O PRO A 797 -18.294 -19.841 1.623 1.00 32.14 O ATOM 83 CB PRO A 797 -16.545 -17.093 0.444 1.00 65.24 C ATOM 84 CG PRO A 797 -16.384 -16.462 1.817 1.00 14.30 C ATOM 85 CD PRO A 797 -17.745 -16.467 2.494 1.00 32.21 C ATOM 0 HA PRO A 797 -18.406 -17.649 -0.501 1.00 33.23 H new ATOM 0 HB2 PRO A 797 -15.746 -17.808 0.247 1.00 65.24 H new ATOM 0 HB3 PRO A 797 -16.497 -16.338 -0.341 1.00 65.24 H new ATOM 0 HG2 PRO A 797 -15.660 -17.020 2.411 1.00 14.30 H new ATOM 0 HG3 PRO A 797 -16.006 -15.444 1.727 1.00 14.30 H new ATOM 0 HD2 PRO A 797 -17.706 -16.974 3.458 1.00 32.21 H new ATOM 0 HD3 PRO A 797 -18.098 -15.453 2.681 1.00 32.21 H new ATOM 93 N LYS A 798 -17.159 -19.935 -0.330 1.00 52.45 N ATOM 94 CA LYS A 798 -16.988 -21.377 -0.290 1.00 75.04 C ATOM 95 C LYS A 798 -15.555 -21.705 0.132 1.00 20.01 C ATOM 96 O LYS A 798 -14.658 -20.874 -0.005 1.00 32.43 O ATOM 97 CB LYS A 798 -17.394 -22.002 -1.627 1.00 0.12 C ATOM 98 CG LYS A 798 -16.309 -21.787 -2.684 1.00 70.21 C ATOM 99 CD LYS A 798 -16.887 -21.911 -4.095 1.00 43.15 C ATOM 100 CE LYS A 798 -17.366 -20.553 -4.613 1.00 3.03 C ATOM 101 NZ LYS A 798 -17.415 -20.550 -6.092 1.00 2.10 N ATOM 0 H LYS A 798 -16.751 -19.480 -1.146 1.00 52.45 H new ATOM 0 HA LYS A 798 -17.649 -21.818 0.456 1.00 75.04 H new ATOM 0 HB2 LYS A 798 -17.572 -23.069 -1.495 1.00 0.12 H new ATOM 0 HB3 LYS A 798 -18.331 -21.563 -1.968 1.00 0.12 H new ATOM 0 HG2 LYS A 798 -15.861 -20.801 -2.556 1.00 70.21 H new ATOM 0 HG3 LYS A 798 -15.513 -22.519 -2.547 1.00 70.21 H new ATOM 0 HD2 LYS A 798 -16.130 -22.314 -4.768 1.00 43.15 H new ATOM 0 HD3 LYS A 798 -17.718 -22.616 -4.091 1.00 43.15 H new ATOM 0 HE2 LYS A 798 -18.354 -20.332 -4.210 1.00 3.03 H new ATOM 0 HE3 LYS A 798 -16.696 -19.767 -4.264 1.00 3.03 H new ATOM 0 HZ1 LYS A 798 -17.742 -19.621 -6.427 1.00 2.10 H new ATOM 0 HZ2 LYS A 798 -16.465 -20.740 -6.471 1.00 2.10 H new ATOM 0 HZ3 LYS A 798 -18.072 -21.287 -6.419 1.00 2.10 H new ATOM 114 N PRO A 799 -15.379 -22.950 0.650 1.00 32.13 N ATOM 115 CA PRO A 799 -14.070 -23.398 1.094 1.00 70.24 C ATOM 116 C PRO A 799 -13.171 -23.730 -0.099 1.00 51.02 C ATOM 117 O PRO A 799 -13.579 -23.577 -1.250 1.00 23.43 O ATOM 118 CB PRO A 799 -14.346 -24.600 1.982 1.00 23.12 C ATOM 119 CG PRO A 799 -15.751 -25.063 1.633 1.00 22.01 C ATOM 120 CD PRO A 799 -16.418 -23.960 0.827 1.00 31.43 C ATOM 0 HA PRO A 799 -13.526 -22.630 1.644 1.00 70.24 H new ATOM 0 HB2 PRO A 799 -13.618 -25.392 1.804 1.00 23.12 H new ATOM 0 HB3 PRO A 799 -14.274 -24.332 3.036 1.00 23.12 H new ATOM 0 HG2 PRO A 799 -15.716 -25.988 1.058 1.00 22.01 H new ATOM 0 HG3 PRO A 799 -16.320 -25.272 2.539 1.00 22.01 H new ATOM 0 HD2 PRO A 799 -16.776 -24.332 -0.133 1.00 31.43 H new ATOM 0 HD3 PRO A 799 -17.281 -23.552 1.353 1.00 31.43 H new ATOM 128 N VAL A 800 -11.965 -24.178 0.216 1.00 2.14 N ATOM 129 CA VAL A 800 -11.005 -24.533 -0.815 1.00 42.21 C ATOM 130 C VAL A 800 -11.244 -25.979 -1.253 1.00 34.01 C ATOM 131 O VAL A 800 -11.573 -26.834 -0.432 1.00 11.33 O ATOM 132 CB VAL A 800 -9.581 -24.289 -0.311 1.00 1.11 C ATOM 133 CG1 VAL A 800 -9.377 -24.905 1.074 1.00 22.34 C ATOM 134 CG2 VAL A 800 -8.548 -24.822 -1.306 1.00 32.00 C ATOM 0 H VAL A 800 -11.630 -24.303 1.171 1.00 2.14 H new ATOM 0 HA VAL A 800 -11.138 -23.901 -1.693 1.00 42.21 H new ATOM 0 HB VAL A 800 -9.437 -23.212 -0.223 1.00 1.11 H new ATOM 0 HG11 VAL A 800 -8.357 -24.717 1.409 1.00 22.34 H new ATOM 0 HG12 VAL A 800 -10.078 -24.457 1.778 1.00 22.34 H new ATOM 0 HG13 VAL A 800 -9.550 -25.980 1.023 1.00 22.34 H new ATOM 0 HG21 VAL A 800 -7.544 -24.636 -0.923 1.00 32.00 H new ATOM 0 HG22 VAL A 800 -8.692 -25.894 -1.441 1.00 32.00 H new ATOM 0 HG23 VAL A 800 -8.671 -24.316 -2.264 1.00 32.00 H new ATOM 144 N PRO A 801 -11.066 -26.215 -2.580 1.00 40.34 N ATOM 145 CA PRO A 801 -11.259 -27.543 -3.137 1.00 52.33 C ATOM 146 C PRO A 801 -10.089 -28.462 -2.781 1.00 73.24 C ATOM 147 O PRO A 801 -10.219 -29.334 -1.924 1.00 31.51 O ATOM 148 CB PRO A 801 -11.409 -27.324 -4.634 1.00 3.20 C ATOM 149 CG PRO A 801 -10.833 -25.945 -4.913 1.00 63.01 C ATOM 150 CD PRO A 801 -10.677 -25.227 -3.583 1.00 1.14 C ATOM 0 HA PRO A 801 -12.137 -28.046 -2.732 1.00 52.33 H new ATOM 0 HB2 PRO A 801 -10.876 -28.091 -5.196 1.00 3.20 H new ATOM 0 HB3 PRO A 801 -12.456 -27.378 -4.934 1.00 3.20 H new ATOM 0 HG2 PRO A 801 -9.870 -26.028 -5.417 1.00 63.01 H new ATOM 0 HG3 PRO A 801 -11.492 -25.383 -5.575 1.00 63.01 H new ATOM 0 HD2 PRO A 801 -9.651 -24.892 -3.432 1.00 1.14 H new ATOM 0 HD3 PRO A 801 -11.311 -24.342 -3.534 1.00 1.14 H new ATOM 158 N ASP A 802 -8.973 -28.235 -3.458 1.00 70.41 N ATOM 159 CA ASP A 802 -7.781 -29.033 -3.224 1.00 2.50 C ATOM 160 C ASP A 802 -6.546 -28.229 -3.638 1.00 32.23 C ATOM 161 O ASP A 802 -6.654 -27.055 -3.987 1.00 42.23 O ATOM 162 CB ASP A 802 -7.807 -30.319 -4.052 1.00 10.12 C ATOM 163 CG ASP A 802 -7.475 -31.595 -3.275 1.00 43.51 C ATOM 164 OD1 ASP A 802 -7.898 -32.698 -3.649 1.00 21.40 O ATOM 165 OD2 ASP A 802 -6.738 -31.420 -2.230 1.00 71.44 O ATOM 0 H ASP A 802 -8.869 -27.510 -4.168 1.00 70.41 H new ATOM 0 HA ASP A 802 -7.748 -29.287 -2.165 1.00 2.50 H new ATOM 0 HB2 ASP A 802 -8.797 -30.428 -4.495 1.00 10.12 H new ATOM 0 HB3 ASP A 802 -7.099 -30.218 -4.875 1.00 10.12 H new ATOM 171 N LYS A 803 -5.402 -28.894 -3.584 1.00 64.42 N ATOM 172 CA LYS A 803 -4.148 -28.257 -3.949 1.00 2.00 C ATOM 173 C LYS A 803 -2.989 -29.205 -3.635 1.00 5.33 C ATOM 174 O LYS A 803 -3.205 -30.323 -3.170 1.00 43.10 O ATOM 175 CB LYS A 803 -4.025 -26.890 -3.273 1.00 11.11 C ATOM 176 CG LYS A 803 -4.198 -25.759 -4.288 1.00 51.44 C ATOM 177 CD LYS A 803 -4.784 -24.511 -3.625 1.00 12.14 C ATOM 178 CE LYS A 803 -3.709 -23.744 -2.852 1.00 63.33 C ATOM 179 NZ LYS A 803 -2.547 -23.461 -3.724 1.00 61.15 N ATOM 0 H LYS A 803 -5.317 -29.868 -3.293 1.00 64.42 H new ATOM 0 HA LYS A 803 -4.118 -28.061 -5.021 1.00 2.00 H new ATOM 0 HB2 LYS A 803 -4.777 -26.799 -2.490 1.00 11.11 H new ATOM 0 HB3 LYS A 803 -3.051 -26.805 -2.791 1.00 11.11 H new ATOM 0 HG2 LYS A 803 -3.234 -25.518 -4.737 1.00 51.44 H new ATOM 0 HG3 LYS A 803 -4.852 -26.087 -5.095 1.00 51.44 H new ATOM 0 HD2 LYS A 803 -5.223 -23.864 -4.384 1.00 12.14 H new ATOM 0 HD3 LYS A 803 -5.588 -24.798 -2.948 1.00 12.14 H new ATOM 0 HE2 LYS A 803 -4.122 -22.810 -2.472 1.00 63.33 H new ATOM 0 HE3 LYS A 803 -3.389 -24.326 -1.987 1.00 63.33 H new ATOM 0 HZ1 LYS A 803 -2.237 -22.478 -3.582 1.00 61.15 H new ATOM 0 HZ2 LYS A 803 -1.768 -24.108 -3.485 1.00 61.15 H new ATOM 0 HZ3 LYS A 803 -2.818 -23.598 -4.719 1.00 61.15 H new ATOM 192 N GLU A 804 -1.783 -28.723 -3.901 1.00 14.22 N ATOM 193 CA GLU A 804 -0.590 -29.513 -3.652 1.00 63.02 C ATOM 194 C GLU A 804 0.210 -28.916 -2.493 1.00 3.13 C ATOM 195 O GLU A 804 0.580 -29.626 -1.559 1.00 3.43 O ATOM 196 CB GLU A 804 0.270 -29.620 -4.913 1.00 53.14 C ATOM 197 CG GLU A 804 0.101 -28.383 -5.798 1.00 60.13 C ATOM 198 CD GLU A 804 0.954 -28.494 -7.064 1.00 10.13 C ATOM 199 OE1 GLU A 804 0.906 -27.602 -7.923 1.00 44.44 O ATOM 200 OE2 GLU A 804 1.687 -29.553 -7.136 1.00 72.13 O ATOM 0 H GLU A 804 -1.607 -27.795 -4.286 1.00 14.22 H new ATOM 0 HA GLU A 804 -0.898 -30.521 -3.375 1.00 63.02 H new ATOM 0 HB2 GLU A 804 1.318 -29.732 -4.635 1.00 53.14 H new ATOM 0 HB3 GLU A 804 -0.008 -30.513 -5.473 1.00 53.14 H new ATOM 0 HG2 GLU A 804 -0.948 -28.267 -6.071 1.00 60.13 H new ATOM 0 HG3 GLU A 804 0.386 -27.491 -5.240 1.00 60.13 H new ATOM 208 N ASN A 805 0.454 -27.617 -2.591 1.00 33.25 N ATOM 209 CA ASN A 805 1.203 -26.917 -1.561 1.00 50.45 C ATOM 210 C ASN A 805 0.366 -25.750 -1.033 1.00 3.14 C ATOM 211 O ASN A 805 -0.424 -25.163 -1.771 1.00 22.24 O ATOM 212 CB ASN A 805 2.508 -26.347 -2.122 1.00 13.04 C ATOM 213 CG ASN A 805 3.062 -25.249 -1.212 1.00 10.13 C ATOM 214 OD1 ASN A 805 3.350 -24.142 -1.636 1.00 11.21 O ATOM 215 ND2 ASN A 805 3.195 -25.616 0.060 1.00 40.13 N ATOM 0 H ASN A 805 0.146 -27.031 -3.367 1.00 33.25 H new ATOM 0 HA ASN A 805 1.431 -27.628 -0.767 1.00 50.45 H new ATOM 0 HB2 ASN A 805 3.243 -27.145 -2.224 1.00 13.04 H new ATOM 0 HB3 ASN A 805 2.334 -25.944 -3.120 1.00 13.04 H new ATOM 0 HD21 ASN A 805 3.557 -24.954 0.747 1.00 40.13 H new ATOM 0 HD22 ASN A 805 2.935 -26.559 0.349 1.00 40.13 H new ATOM 222 N LYS A 806 0.569 -25.448 0.242 1.00 75.24 N ATOM 223 CA LYS A 806 -0.157 -24.362 0.878 1.00 73.12 C ATOM 224 C LYS A 806 0.778 -23.622 1.836 1.00 32.25 C ATOM 225 O LYS A 806 1.728 -24.205 2.356 1.00 62.23 O ATOM 226 CB LYS A 806 -1.431 -24.887 1.544 1.00 51.44 C ATOM 227 CG LYS A 806 -1.890 -23.950 2.663 1.00 31.11 C ATOM 228 CD LYS A 806 -3.361 -24.191 3.011 1.00 44.43 C ATOM 229 CE LYS A 806 -3.676 -25.687 3.055 1.00 62.10 C ATOM 230 NZ LYS A 806 -5.017 -25.917 3.637 1.00 71.22 N ATOM 0 H LYS A 806 1.226 -25.937 0.851 1.00 75.24 H new ATOM 0 HA LYS A 806 -0.489 -23.638 0.134 1.00 73.12 H new ATOM 0 HB2 LYS A 806 -2.221 -24.985 0.800 1.00 51.44 H new ATOM 0 HB3 LYS A 806 -1.250 -25.882 1.949 1.00 51.44 H new ATOM 0 HG2 LYS A 806 -1.273 -24.105 3.548 1.00 31.11 H new ATOM 0 HG3 LYS A 806 -1.750 -22.914 2.355 1.00 31.11 H new ATOM 0 HD2 LYS A 806 -3.589 -23.739 3.977 1.00 44.43 H new ATOM 0 HD3 LYS A 806 -3.998 -23.703 2.273 1.00 44.43 H new ATOM 0 HE2 LYS A 806 -3.634 -26.103 2.049 1.00 62.10 H new ATOM 0 HE3 LYS A 806 -2.922 -26.206 3.647 1.00 62.10 H new ATOM 0 HZ1 LYS A 806 -5.215 -26.938 3.660 1.00 71.22 H new ATOM 0 HZ2 LYS A 806 -5.045 -25.537 4.605 1.00 71.22 H new ATOM 0 HZ3 LYS A 806 -5.734 -25.438 3.056 1.00 71.22 H new ATOM 243 N LYS A 807 0.475 -22.349 2.042 1.00 4.32 N ATOM 244 CA LYS A 807 1.277 -21.523 2.929 1.00 20.02 C ATOM 245 C LYS A 807 0.624 -21.484 4.312 1.00 35.31 C ATOM 246 O LYS A 807 -0.598 -21.577 4.428 1.00 5.04 O ATOM 247 CB LYS A 807 1.501 -20.139 2.316 1.00 24.31 C ATOM 248 CG LYS A 807 1.990 -19.145 3.371 1.00 13.33 C ATOM 249 CD LYS A 807 2.017 -17.721 2.812 1.00 40.04 C ATOM 250 CE LYS A 807 0.704 -17.386 2.101 1.00 0.24 C ATOM 251 NZ LYS A 807 0.517 -15.920 2.023 1.00 12.31 N ATOM 0 H LYS A 807 -0.315 -21.869 1.610 1.00 4.32 H new ATOM 0 HA LYS A 807 2.270 -21.954 3.057 1.00 20.02 H new ATOM 0 HB2 LYS A 807 2.232 -20.208 1.510 1.00 24.31 H new ATOM 0 HB3 LYS A 807 0.572 -19.778 1.874 1.00 24.31 H new ATOM 0 HG2 LYS A 807 1.338 -19.185 4.243 1.00 13.33 H new ATOM 0 HG3 LYS A 807 2.988 -19.427 3.706 1.00 13.33 H new ATOM 0 HD2 LYS A 807 2.187 -17.012 3.622 1.00 40.04 H new ATOM 0 HD3 LYS A 807 2.849 -17.616 2.116 1.00 40.04 H new ATOM 0 HE2 LYS A 807 0.708 -17.812 1.098 1.00 0.24 H new ATOM 0 HE3 LYS A 807 -0.132 -17.837 2.636 1.00 0.24 H new ATOM 0 HZ1 LYS A 807 -0.378 -15.710 1.538 1.00 12.31 H new ATOM 0 HZ2 LYS A 807 0.492 -15.522 2.983 1.00 12.31 H new ATOM 0 HZ3 LYS A 807 1.306 -15.497 1.493 1.00 12.31 H new ATOM 264 N LEU A 808 1.466 -21.347 5.326 1.00 74.23 N ATOM 265 CA LEU A 808 0.985 -21.295 6.696 1.00 21.11 C ATOM 266 C LEU A 808 1.476 -20.005 7.355 1.00 5.15 C ATOM 267 O LEU A 808 2.595 -19.561 7.102 1.00 23.10 O ATOM 268 CB LEU A 808 1.385 -22.563 7.453 1.00 61.43 C ATOM 269 CG LEU A 808 0.636 -23.840 7.065 1.00 62.01 C ATOM 270 CD1 LEU A 808 1.250 -24.478 5.817 1.00 54.10 C ATOM 271 CD2 LEU A 808 0.577 -24.819 8.239 1.00 22.11 C ATOM 0 H LEU A 808 2.478 -21.270 5.226 1.00 74.23 H new ATOM 0 HA LEU A 808 -0.105 -21.270 6.717 1.00 21.11 H new ATOM 0 HB2 LEU A 808 2.451 -22.731 7.303 1.00 61.43 H new ATOM 0 HB3 LEU A 808 1.237 -22.388 8.519 1.00 61.43 H new ATOM 0 HG LEU A 808 -0.391 -23.572 6.817 1.00 62.01 H new ATOM 0 HD11 LEU A 808 0.699 -25.384 5.563 1.00 54.10 H new ATOM 0 HD12 LEU A 808 1.197 -23.775 4.985 1.00 54.10 H new ATOM 0 HD13 LEU A 808 2.292 -24.730 6.013 1.00 54.10 H new ATOM 0 HD21 LEU A 808 0.040 -25.718 7.937 1.00 22.11 H new ATOM 0 HD22 LEU A 808 1.590 -25.086 8.541 1.00 22.11 H new ATOM 0 HD23 LEU A 808 0.060 -24.352 9.077 1.00 22.11 H new ATOM 283 N LEU A 809 0.616 -19.439 8.189 1.00 72.02 N ATOM 284 CA LEU A 809 0.948 -18.209 8.886 1.00 2.45 C ATOM 285 C LEU A 809 0.857 -18.443 10.396 1.00 42.43 C ATOM 286 O LEU A 809 0.380 -19.486 10.838 1.00 71.51 O ATOM 287 CB LEU A 809 0.072 -17.057 8.389 1.00 63.02 C ATOM 288 CG LEU A 809 0.639 -16.237 7.228 1.00 12.41 C ATOM 289 CD1 LEU A 809 0.523 -17.001 5.908 1.00 34.42 C ATOM 290 CD2 LEU A 809 -0.026 -14.861 7.154 1.00 42.53 C ATOM 0 H LEU A 809 -0.311 -19.810 8.398 1.00 72.02 H new ATOM 0 HA LEU A 809 1.975 -17.914 8.669 1.00 2.45 H new ATOM 0 HB2 LEU A 809 -0.892 -17.465 8.083 1.00 63.02 H new ATOM 0 HB3 LEU A 809 -0.118 -16.384 9.225 1.00 63.02 H new ATOM 0 HG LEU A 809 1.701 -16.073 7.412 1.00 12.41 H new ATOM 0 HD11 LEU A 809 0.933 -16.395 5.100 1.00 34.42 H new ATOM 0 HD12 LEU A 809 1.079 -17.936 5.979 1.00 34.42 H new ATOM 0 HD13 LEU A 809 -0.526 -17.217 5.703 1.00 34.42 H new ATOM 0 HD21 LEU A 809 0.395 -14.298 6.321 1.00 42.53 H new ATOM 0 HD22 LEU A 809 -1.099 -14.983 7.005 1.00 42.53 H new ATOM 0 HD23 LEU A 809 0.152 -14.320 8.084 1.00 42.53 H new ATOM 302 N CYS A 810 1.323 -17.454 11.145 1.00 55.23 N ATOM 303 CA CYS A 810 1.300 -17.539 12.595 1.00 13.11 C ATOM 304 C CYS A 810 0.171 -16.644 13.111 1.00 21.01 C ATOM 305 O CYS A 810 0.239 -15.422 12.992 1.00 45.33 O ATOM 306 CB CYS A 810 2.651 -17.162 13.205 1.00 2.12 C ATOM 307 SG CYS A 810 2.905 -18.070 14.774 1.00 54.41 S ATOM 0 H CYS A 810 1.719 -16.590 10.775 1.00 55.23 H new ATOM 0 HA CYS A 810 1.113 -18.569 12.898 1.00 13.11 H new ATOM 0 HB2 CYS A 810 3.453 -17.397 12.505 1.00 2.12 H new ATOM 0 HB3 CYS A 810 2.690 -16.088 13.386 1.00 2.12 H new ATOM 0 HG CYS A 810 4.143 -18.459 14.855 1.00 54.41 H new ATOM 313 N ARG A 811 -0.841 -17.288 13.674 1.00 52.44 N ATOM 314 CA ARG A 811 -1.983 -16.565 14.208 1.00 20.22 C ATOM 315 C ARG A 811 -1.513 -15.407 15.091 1.00 64.14 C ATOM 316 O ARG A 811 -2.243 -14.437 15.289 1.00 65.10 O ATOM 317 CB ARG A 811 -2.884 -17.490 15.029 1.00 12.53 C ATOM 318 CG ARG A 811 -3.921 -16.686 15.817 1.00 21.24 C ATOM 319 CD ARG A 811 -3.376 -16.284 17.189 1.00 5.31 C ATOM 320 NE ARG A 811 -4.007 -17.105 18.246 1.00 73.03 N ATOM 321 CZ ARG A 811 -3.921 -16.837 19.566 1.00 51.40 C ATOM 322 NH1 ARG A 811 -3.227 -15.764 20.003 1.00 34.23 N ATOM 323 NH2 ARG A 811 -4.525 -17.639 20.423 1.00 52.41 N ATOM 0 H ARG A 811 -0.894 -18.302 13.772 1.00 52.44 H new ATOM 0 HA ARG A 811 -2.553 -16.175 13.365 1.00 20.22 H new ATOM 0 HB2 ARG A 811 -3.390 -18.193 14.367 1.00 12.53 H new ATOM 0 HB3 ARG A 811 -2.277 -18.080 15.716 1.00 12.53 H new ATOM 0 HG2 ARG A 811 -4.197 -15.793 15.256 1.00 21.24 H new ATOM 0 HG3 ARG A 811 -4.828 -17.278 15.941 1.00 21.24 H new ATOM 0 HD2 ARG A 811 -2.294 -16.416 17.212 1.00 5.31 H new ATOM 0 HD3 ARG A 811 -3.573 -15.228 17.372 1.00 5.31 H new ATOM 0 HE ARG A 811 -4.541 -17.925 17.959 1.00 73.03 H new ATOM 0 HH11 ARG A 811 -2.763 -15.150 19.334 1.00 34.23 H new ATOM 0 HH12 ARG A 811 -3.167 -15.568 21.002 1.00 34.23 H new ATOM 0 HH21 ARG A 811 -5.047 -18.447 20.084 1.00 52.41 H new ATOM 0 HH22 ARG A 811 -4.470 -17.451 21.424 1.00 52.41 H new ATOM 336 N LYS A 812 -0.296 -15.547 15.597 1.00 52.15 N ATOM 337 CA LYS A 812 0.280 -14.524 16.453 1.00 22.31 C ATOM 338 C LYS A 812 0.042 -13.148 15.829 1.00 75.14 C ATOM 339 O LYS A 812 -0.841 -12.410 16.263 1.00 74.10 O ATOM 340 CB LYS A 812 1.754 -14.826 16.731 1.00 61.42 C ATOM 341 CG LYS A 812 1.915 -15.635 18.020 1.00 74.23 C ATOM 342 CD LYS A 812 1.997 -14.714 19.238 1.00 4.14 C ATOM 343 CE LYS A 812 0.607 -14.230 19.655 1.00 1.13 C ATOM 344 NZ LYS A 812 0.585 -13.898 21.097 1.00 33.04 N ATOM 0 H LYS A 812 0.306 -16.353 15.431 1.00 52.15 H new ATOM 0 HA LYS A 812 -0.211 -14.522 17.426 1.00 22.31 H new ATOM 0 HB2 LYS A 812 2.179 -15.380 15.894 1.00 61.42 H new ATOM 0 HB3 LYS A 812 2.311 -13.893 16.811 1.00 61.42 H new ATOM 0 HG2 LYS A 812 1.073 -16.318 18.132 1.00 74.23 H new ATOM 0 HG3 LYS A 812 2.816 -16.246 17.960 1.00 74.23 H new ATOM 0 HD2 LYS A 812 2.465 -15.243 20.068 1.00 4.14 H new ATOM 0 HD3 LYS A 812 2.630 -13.857 19.008 1.00 4.14 H new ATOM 0 HE2 LYS A 812 0.330 -13.353 19.070 1.00 1.13 H new ATOM 0 HE3 LYS A 812 -0.132 -15.002 19.442 1.00 1.13 H new ATOM 0 HZ1 LYS A 812 -0.366 -13.571 21.364 1.00 33.04 H new ATOM 0 HZ2 LYS A 812 0.829 -14.743 21.652 1.00 33.04 H new ATOM 0 HZ3 LYS A 812 1.277 -13.146 21.291 1.00 33.04 H new ATOM 357 N CYS A 813 0.844 -12.845 14.819 1.00 2.52 N ATOM 358 CA CYS A 813 0.731 -11.570 14.131 1.00 44.05 C ATOM 359 C CYS A 813 0.397 -11.845 12.663 1.00 1.20 C ATOM 360 O CYS A 813 0.641 -11.004 11.799 1.00 24.11 O ATOM 361 CB CYS A 813 2.003 -10.732 14.279 1.00 21.40 C ATOM 362 SG CYS A 813 1.609 -8.956 14.080 1.00 64.30 S ATOM 0 H CYS A 813 1.574 -13.460 14.461 1.00 2.52 H new ATOM 0 HA CYS A 813 -0.068 -10.981 14.581 1.00 44.05 H new ATOM 0 HB2 CYS A 813 2.451 -10.906 15.257 1.00 21.40 H new ATOM 0 HB3 CYS A 813 2.737 -11.036 13.533 1.00 21.40 H new ATOM 0 HG CYS A 813 2.695 -8.253 14.209 1.00 64.30 H new ATOM 368 N LYS A 814 -0.157 -13.025 12.426 1.00 4.04 N ATOM 369 CA LYS A 814 -0.527 -13.421 11.078 1.00 21.13 C ATOM 370 C LYS A 814 0.659 -13.189 10.139 1.00 32.55 C ATOM 371 O LYS A 814 0.619 -12.300 9.291 1.00 74.13 O ATOM 372 CB LYS A 814 -1.806 -12.704 10.642 1.00 72.54 C ATOM 373 CG LYS A 814 -2.703 -12.402 11.844 1.00 42.20 C ATOM 374 CD LYS A 814 -3.068 -13.685 12.592 1.00 33.33 C ATOM 375 CE LYS A 814 -4.269 -14.376 11.943 1.00 52.44 C ATOM 376 NZ LYS A 814 -5.508 -13.607 12.196 1.00 53.22 N ATOM 0 H LYS A 814 -0.359 -13.720 13.145 1.00 4.04 H new ATOM 0 HA LYS A 814 -0.758 -14.486 11.043 1.00 21.13 H new ATOM 0 HB2 LYS A 814 -1.550 -11.775 10.132 1.00 72.54 H new ATOM 0 HB3 LYS A 814 -2.348 -13.322 9.926 1.00 72.54 H new ATOM 0 HG2 LYS A 814 -2.193 -11.716 12.520 1.00 42.20 H new ATOM 0 HG3 LYS A 814 -3.611 -11.902 11.508 1.00 42.20 H new ATOM 0 HD2 LYS A 814 -2.214 -14.362 12.598 1.00 33.33 H new ATOM 0 HD3 LYS A 814 -3.297 -13.451 13.632 1.00 33.33 H new ATOM 0 HE2 LYS A 814 -4.105 -14.471 10.870 1.00 52.44 H new ATOM 0 HE3 LYS A 814 -4.373 -15.386 12.340 1.00 52.44 H new ATOM 0 HZ1 LYS A 814 -6.332 -14.233 12.094 1.00 53.22 H new ATOM 0 HZ2 LYS A 814 -5.485 -13.219 13.161 1.00 53.22 H new ATOM 0 HZ3 LYS A 814 -5.579 -12.827 11.511 1.00 53.22 H new ATOM 389 N ALA A 815 1.686 -14.005 10.324 1.00 64.35 N ATOM 390 CA ALA A 815 2.881 -13.900 9.504 1.00 64.54 C ATOM 391 C ALA A 815 3.341 -15.302 9.098 1.00 22.34 C ATOM 392 O ALA A 815 3.216 -16.249 9.874 1.00 50.11 O ATOM 393 CB ALA A 815 3.960 -13.132 10.269 1.00 1.51 C ATOM 0 H ALA A 815 1.715 -14.741 11.029 1.00 64.35 H new ATOM 0 HA ALA A 815 2.671 -13.344 8.590 1.00 64.54 H new ATOM 0 HB1 ALA A 815 4.856 -13.053 9.654 1.00 1.51 H new ATOM 0 HB2 ALA A 815 3.595 -12.133 10.508 1.00 1.51 H new ATOM 0 HB3 ALA A 815 4.199 -13.661 11.191 1.00 1.51 H new ATOM 399 N LEU A 816 3.864 -15.391 7.884 1.00 30.02 N ATOM 400 CA LEU A 816 4.343 -16.661 7.367 1.00 61.43 C ATOM 401 C LEU A 816 5.059 -17.425 8.483 1.00 41.51 C ATOM 402 O LEU A 816 5.825 -16.840 9.247 1.00 1.41 O ATOM 403 CB LEU A 816 5.204 -16.442 6.121 1.00 24.03 C ATOM 404 CG LEU A 816 5.953 -17.670 5.599 1.00 43.21 C ATOM 405 CD1 LEU A 816 7.071 -18.080 6.559 1.00 2.15 C ATOM 406 CD2 LEU A 816 4.987 -18.823 5.318 1.00 44.42 C ATOM 0 H LEU A 816 3.966 -14.604 7.243 1.00 30.02 H new ATOM 0 HA LEU A 816 3.506 -17.280 7.043 1.00 61.43 H new ATOM 0 HB2 LEU A 816 4.564 -16.065 5.323 1.00 24.03 H new ATOM 0 HB3 LEU A 816 5.933 -15.662 6.340 1.00 24.03 H new ATOM 0 HG LEU A 816 6.423 -17.406 4.652 1.00 43.21 H new ATOM 0 HD11 LEU A 816 7.587 -18.955 6.164 1.00 2.15 H new ATOM 0 HD12 LEU A 816 7.779 -17.258 6.665 1.00 2.15 H new ATOM 0 HD13 LEU A 816 6.645 -18.319 7.533 1.00 2.15 H new ATOM 0 HD21 LEU A 816 5.545 -19.683 4.948 1.00 44.42 H new ATOM 0 HD22 LEU A 816 4.468 -19.095 6.237 1.00 44.42 H new ATOM 0 HD23 LEU A 816 4.259 -18.513 4.568 1.00 44.42 H new ATOM 418 N ALA A 817 4.784 -18.719 8.542 1.00 62.34 N ATOM 419 CA ALA A 817 5.392 -19.568 9.552 1.00 65.54 C ATOM 420 C ALA A 817 6.098 -20.741 8.868 1.00 64.21 C ATOM 421 O ALA A 817 7.255 -21.034 9.168 1.00 72.25 O ATOM 422 CB ALA A 817 4.322 -20.030 10.543 1.00 42.12 C ATOM 0 H ALA A 817 4.148 -19.201 7.907 1.00 62.34 H new ATOM 0 HA ALA A 817 6.142 -19.015 10.117 1.00 65.54 H new ATOM 0 HB1 ALA A 817 4.778 -20.667 11.301 1.00 42.12 H new ATOM 0 HB2 ALA A 817 3.871 -19.161 11.023 1.00 42.12 H new ATOM 0 HB3 ALA A 817 3.553 -20.591 10.013 1.00 42.12 H new ATOM 428 N CYS A 818 5.373 -21.380 7.962 1.00 32.42 N ATOM 429 CA CYS A 818 5.915 -22.515 7.234 1.00 41.44 C ATOM 430 C CYS A 818 4.975 -22.831 6.068 1.00 3.24 C ATOM 431 O CYS A 818 4.028 -22.089 5.811 1.00 22.24 O ATOM 432 CB CYS A 818 6.122 -23.726 8.145 1.00 32.00 C ATOM 433 SG CYS A 818 4.710 -23.889 9.298 1.00 25.34 S ATOM 0 H CYS A 818 4.415 -21.133 7.715 1.00 32.42 H new ATOM 0 HA CYS A 818 6.902 -22.263 6.846 1.00 41.44 H new ATOM 0 HB2 CYS A 818 6.219 -24.631 7.545 1.00 32.00 H new ATOM 0 HB3 CYS A 818 7.050 -23.615 8.706 1.00 32.00 H new ATOM 0 HG CYS A 818 5.012 -24.737 10.236 1.00 25.34 H new ATOM 439 N TYR A 819 5.270 -23.933 5.395 1.00 50.25 N ATOM 440 CA TYR A 819 4.463 -24.356 4.263 1.00 61.23 C ATOM 441 C TYR A 819 4.092 -25.836 4.377 1.00 64.34 C ATOM 442 O TYR A 819 4.868 -26.636 4.899 1.00 51.42 O ATOM 443 CB TYR A 819 5.337 -24.156 3.023 1.00 2.42 C ATOM 444 CG TYR A 819 5.554 -22.689 2.646 1.00 42.14 C ATOM 445 CD1 TYR A 819 4.641 -22.042 1.837 1.00 24.03 C ATOM 446 CD2 TYR A 819 6.663 -22.013 3.113 1.00 13.32 C ATOM 447 CE1 TYR A 819 4.846 -20.662 1.482 1.00 53.41 C ATOM 448 CE2 TYR A 819 6.867 -20.632 2.758 1.00 71.32 C ATOM 449 CZ TYR A 819 5.948 -20.025 1.960 1.00 43.13 C ATOM 450 OH TYR A 819 6.141 -18.721 1.624 1.00 22.11 O ATOM 0 H TYR A 819 6.056 -24.546 5.611 1.00 50.25 H new ATOM 0 HA TYR A 819 3.536 -23.784 4.218 1.00 61.23 H new ATOM 0 HB2 TYR A 819 6.306 -24.624 3.195 1.00 2.42 H new ATOM 0 HB3 TYR A 819 4.878 -24.673 2.180 1.00 2.42 H new ATOM 0 HD1 TYR A 819 3.774 -22.571 1.471 1.00 24.03 H new ATOM 0 HD2 TYR A 819 7.378 -22.519 3.745 1.00 13.32 H new ATOM 0 HE1 TYR A 819 4.140 -20.144 0.850 1.00 53.41 H new ATOM 0 HE2 TYR A 819 7.730 -20.091 3.117 1.00 71.32 H new ATOM 0 HH TYR A 819 6.968 -18.396 2.038 1.00 22.11 H new ATOM 460 N THR A 820 2.907 -26.156 3.879 1.00 31.54 N ATOM 461 CA THR A 820 2.424 -27.526 3.919 1.00 70.42 C ATOM 462 C THR A 820 3.323 -28.433 3.077 1.00 65.33 C ATOM 463 O THR A 820 3.382 -29.641 3.305 1.00 53.41 O ATOM 464 CB THR A 820 0.964 -27.526 3.463 1.00 74.24 C ATOM 465 OG1 THR A 820 0.370 -28.593 4.198 1.00 41.03 O ATOM 466 CG2 THR A 820 0.807 -27.949 2.000 1.00 12.25 C ATOM 0 H THR A 820 2.267 -25.490 3.446 1.00 31.54 H new ATOM 0 HA THR A 820 2.464 -27.930 4.931 1.00 70.42 H new ATOM 0 HB THR A 820 0.541 -26.531 3.601 1.00 74.24 H new ATOM 0 HG1 THR A 820 -0.569 -28.381 4.381 1.00 41.03 H new ATOM 0 HG21 THR A 820 -0.248 -27.932 1.728 1.00 12.25 H new ATOM 0 HG22 THR A 820 1.358 -27.259 1.361 1.00 12.25 H new ATOM 0 HG23 THR A 820 1.199 -28.957 1.869 1.00 12.25 H new ATOM 474 N ALA A 821 4.003 -27.817 2.121 1.00 54.42 N ATOM 475 CA ALA A 821 4.897 -28.553 1.243 1.00 35.14 C ATOM 476 C ALA A 821 6.186 -28.885 1.998 1.00 54.12 C ATOM 477 O ALA A 821 7.029 -29.626 1.496 1.00 22.44 O ATOM 478 CB ALA A 821 5.156 -27.736 -0.024 1.00 3.14 C ATOM 0 H ALA A 821 3.953 -26.815 1.935 1.00 54.42 H new ATOM 0 HA ALA A 821 4.444 -29.495 0.935 1.00 35.14 H new ATOM 0 HB1 ALA A 821 5.827 -28.288 -0.682 1.00 3.14 H new ATOM 0 HB2 ALA A 821 4.212 -27.553 -0.538 1.00 3.14 H new ATOM 0 HB3 ALA A 821 5.614 -26.784 0.244 1.00 3.14 H new ATOM 484 N ASP A 822 6.297 -28.320 3.191 1.00 44.42 N ATOM 485 CA ASP A 822 7.469 -28.546 4.019 1.00 24.04 C ATOM 486 C ASP A 822 7.033 -29.135 5.363 1.00 41.44 C ATOM 487 O ASP A 822 7.870 -29.450 6.207 1.00 13.14 O ATOM 488 CB ASP A 822 8.210 -27.236 4.296 1.00 61.14 C ATOM 489 CG ASP A 822 9.736 -27.347 4.313 1.00 70.32 C ATOM 490 OD1 ASP A 822 10.446 -26.478 3.786 1.00 54.32 O ATOM 491 OD2 ASP A 822 10.200 -28.395 4.906 1.00 14.55 O ATOM 0 H ASP A 822 5.595 -27.706 3.604 1.00 44.42 H new ATOM 0 HA ASP A 822 8.131 -29.229 3.486 1.00 24.04 H new ATOM 0 HB2 ASP A 822 7.922 -26.506 3.539 1.00 61.14 H new ATOM 0 HB3 ASP A 822 7.878 -26.845 5.258 1.00 61.14 H new ATOM 497 N VAL A 823 5.724 -29.265 5.518 1.00 72.01 N ATOM 498 CA VAL A 823 5.166 -29.810 6.744 1.00 62.21 C ATOM 499 C VAL A 823 4.949 -31.315 6.575 1.00 24.33 C ATOM 500 O VAL A 823 4.302 -31.750 5.624 1.00 64.21 O ATOM 501 CB VAL A 823 3.886 -29.060 7.116 1.00 53.35 C ATOM 502 CG1 VAL A 823 2.660 -29.717 6.477 1.00 43.40 C ATOM 503 CG2 VAL A 823 3.728 -28.964 8.634 1.00 14.33 C ATOM 0 H VAL A 823 5.033 -29.002 4.815 1.00 72.01 H new ATOM 0 HA VAL A 823 5.860 -29.672 7.573 1.00 62.21 H new ATOM 0 HB VAL A 823 3.966 -28.046 6.723 1.00 53.35 H new ATOM 0 HG11 VAL A 823 1.763 -29.164 6.757 1.00 43.40 H new ATOM 0 HG12 VAL A 823 2.767 -29.709 5.392 1.00 43.40 H new ATOM 0 HG13 VAL A 823 2.576 -30.746 6.826 1.00 43.40 H new ATOM 0 HG21 VAL A 823 2.810 -28.426 8.871 1.00 14.33 H new ATOM 0 HG22 VAL A 823 3.681 -29.967 9.059 1.00 14.33 H new ATOM 0 HG23 VAL A 823 4.580 -28.431 9.055 1.00 14.33 H new ATOM 513 N ARG A 824 5.503 -32.069 7.514 1.00 71.33 N ATOM 514 CA ARG A 824 5.378 -33.517 7.481 1.00 2.40 C ATOM 515 C ARG A 824 5.222 -34.068 8.900 1.00 64.24 C ATOM 516 O ARG A 824 6.100 -33.883 9.741 1.00 20.03 O ATOM 517 CB ARG A 824 6.600 -34.160 6.823 1.00 43.15 C ATOM 518 CG ARG A 824 6.487 -34.117 5.297 1.00 5.13 C ATOM 519 CD ARG A 824 7.866 -33.969 4.650 1.00 72.15 C ATOM 520 NE ARG A 824 7.753 -33.204 3.388 1.00 54.02 N ATOM 521 CZ ARG A 824 8.759 -32.486 2.845 1.00 71.31 C ATOM 522 NH1 ARG A 824 9.964 -32.430 3.450 1.00 2.33 N ATOM 523 NH2 ARG A 824 8.547 -31.841 1.713 1.00 13.33 N ATOM 0 H ARG A 824 6.039 -31.705 8.302 1.00 71.33 H new ATOM 0 HA ARG A 824 4.493 -33.761 6.893 1.00 2.40 H new ATOM 0 HB2 ARG A 824 7.504 -33.639 7.139 1.00 43.15 H new ATOM 0 HB3 ARG A 824 6.695 -35.194 7.155 1.00 43.15 H new ATOM 0 HG2 ARG A 824 6.009 -35.028 4.938 1.00 5.13 H new ATOM 0 HG3 ARG A 824 5.850 -33.284 4.999 1.00 5.13 H new ATOM 0 HD2 ARG A 824 8.545 -33.460 5.334 1.00 72.15 H new ATOM 0 HD3 ARG A 824 8.291 -34.953 4.452 1.00 72.15 H new ATOM 0 HE ARG A 824 6.859 -33.220 2.898 1.00 54.02 H new ATOM 0 HH11 ARG A 824 10.120 -32.932 4.324 1.00 2.33 H new ATOM 0 HH12 ARG A 824 10.719 -31.885 3.033 1.00 2.33 H new ATOM 0 HH21 ARG A 824 7.634 -31.890 1.262 1.00 13.33 H new ATOM 0 HH22 ARG A 824 9.297 -31.294 1.290 1.00 13.33 H new ATOM 536 N VAL A 825 4.099 -34.735 9.121 1.00 51.30 N ATOM 537 CA VAL A 825 3.817 -35.314 10.423 1.00 32.42 C ATOM 538 C VAL A 825 4.573 -36.637 10.562 1.00 33.33 C ATOM 539 O VAL A 825 4.913 -37.270 9.564 1.00 43.33 O ATOM 540 CB VAL A 825 2.306 -35.466 10.612 1.00 21.33 C ATOM 541 CG1 VAL A 825 1.711 -36.393 9.551 1.00 62.44 C ATOM 542 CG2 VAL A 825 1.977 -35.964 12.021 1.00 2.43 C ATOM 0 H VAL A 825 3.374 -34.887 8.420 1.00 51.30 H new ATOM 0 HA VAL A 825 4.166 -34.655 11.218 1.00 32.42 H new ATOM 0 HB VAL A 825 1.853 -34.482 10.490 1.00 21.33 H new ATOM 0 HG11 VAL A 825 0.636 -36.484 9.708 1.00 62.44 H new ATOM 0 HG12 VAL A 825 1.899 -35.980 8.560 1.00 62.44 H new ATOM 0 HG13 VAL A 825 2.173 -37.377 9.627 1.00 62.44 H new ATOM 0 HG21 VAL A 825 0.897 -36.063 12.129 1.00 2.43 H new ATOM 0 HG22 VAL A 825 2.449 -36.933 12.184 1.00 2.43 H new ATOM 0 HG23 VAL A 825 2.351 -35.251 12.756 1.00 2.43 H new ATOM 552 N ILE A 826 4.813 -37.017 11.809 1.00 51.42 N ATOM 553 CA ILE A 826 5.522 -38.253 12.091 1.00 2.14 C ATOM 554 C ILE A 826 4.523 -39.315 12.554 1.00 12.11 C ATOM 555 O ILE A 826 4.383 -39.561 13.751 1.00 21.31 O ATOM 556 CB ILE A 826 6.659 -38.003 13.085 1.00 34.40 C ATOM 557 CG1 ILE A 826 7.760 -37.148 12.455 1.00 31.21 C ATOM 558 CG2 ILE A 826 7.203 -39.322 13.638 1.00 33.21 C ATOM 559 CD1 ILE A 826 8.295 -36.121 13.454 1.00 1.52 C ATOM 0 H ILE A 826 4.529 -36.490 12.635 1.00 51.42 H new ATOM 0 HA ILE A 826 5.997 -38.635 11.187 1.00 2.14 H new ATOM 0 HB ILE A 826 6.258 -37.441 13.928 1.00 34.40 H new ATOM 0 HG12 ILE A 826 8.574 -37.789 12.116 1.00 31.21 H new ATOM 0 HG13 ILE A 826 7.370 -36.636 11.575 1.00 31.21 H new ATOM 0 HG21 ILE A 826 8.010 -39.116 14.342 1.00 33.21 H new ATOM 0 HG22 ILE A 826 6.404 -39.859 14.149 1.00 33.21 H new ATOM 0 HG23 ILE A 826 7.583 -39.931 12.818 1.00 33.21 H new ATOM 0 HD11 ILE A 826 9.076 -35.526 12.981 1.00 1.52 H new ATOM 0 HD12 ILE A 826 7.484 -35.467 13.773 1.00 1.52 H new ATOM 0 HD13 ILE A 826 8.707 -36.637 14.321 1.00 1.52 H new ATOM 571 N GLU A 827 3.853 -39.915 11.581 1.00 22.32 N ATOM 572 CA GLU A 827 2.871 -40.945 11.874 1.00 73.12 C ATOM 573 C GLU A 827 1.728 -40.367 12.711 1.00 4.51 C ATOM 574 O GLU A 827 1.334 -40.952 13.718 1.00 21.14 O ATOM 575 CB GLU A 827 3.520 -42.137 12.581 1.00 55.14 C ATOM 576 CG GLU A 827 4.796 -42.574 11.859 1.00 1.32 C ATOM 577 CD GLU A 827 5.183 -44.003 12.246 1.00 52.31 C ATOM 578 OE1 GLU A 827 4.481 -44.640 13.045 1.00 31.11 O ATOM 579 OE2 GLU A 827 6.255 -44.449 11.683 1.00 14.34 O ATOM 0 H GLU A 827 3.971 -39.708 10.589 1.00 22.32 H new ATOM 0 HA GLU A 827 2.459 -41.304 10.931 1.00 73.12 H new ATOM 0 HB2 GLU A 827 3.754 -41.870 13.611 1.00 55.14 H new ATOM 0 HB3 GLU A 827 2.817 -42.969 12.619 1.00 55.14 H new ATOM 0 HG2 GLU A 827 4.647 -42.513 10.781 1.00 1.32 H new ATOM 0 HG3 GLU A 827 5.610 -41.893 12.107 1.00 1.32 H new ATOM 587 N GLU A 828 1.229 -39.224 12.264 1.00 41.15 N ATOM 588 CA GLU A 828 0.140 -38.560 12.959 1.00 11.40 C ATOM 589 C GLU A 828 0.449 -38.457 14.454 1.00 50.00 C ATOM 590 O GLU A 828 -0.453 -38.547 15.286 1.00 61.15 O ATOM 591 CB GLU A 828 -1.186 -39.286 12.722 1.00 42.31 C ATOM 592 CG GLU A 828 -1.388 -39.586 11.235 1.00 14.43 C ATOM 593 CD GLU A 828 -2.313 -40.789 11.040 1.00 51.21 C ATOM 594 OE1 GLU A 828 -1.864 -41.847 10.575 1.00 22.02 O ATOM 595 OE2 GLU A 828 -3.539 -40.597 11.391 1.00 15.30 O ATOM 0 H GLU A 828 1.559 -38.741 11.429 1.00 41.15 H new ATOM 0 HA GLU A 828 0.041 -37.551 12.558 1.00 11.40 H new ATOM 0 HB2 GLU A 828 -1.202 -40.216 13.290 1.00 42.31 H new ATOM 0 HB3 GLU A 828 -2.010 -38.674 13.089 1.00 42.31 H new ATOM 0 HG2 GLU A 828 -1.811 -38.713 10.738 1.00 14.43 H new ATOM 0 HG3 GLU A 828 -0.424 -39.784 10.766 1.00 14.43 H new ATOM 603 N CYS A 829 1.727 -38.270 14.750 1.00 13.20 N ATOM 604 CA CYS A 829 2.166 -38.154 16.130 1.00 10.13 C ATOM 605 C CYS A 829 2.408 -36.674 16.435 1.00 71.23 C ATOM 606 O CYS A 829 2.032 -36.186 17.500 1.00 64.54 O ATOM 607 CB CYS A 829 3.409 -39.003 16.401 1.00 25.23 C ATOM 608 SG CYS A 829 3.084 -40.749 15.958 1.00 10.40 S ATOM 0 H CYS A 829 2.472 -38.196 14.058 1.00 13.20 H new ATOM 0 HA CYS A 829 1.392 -38.539 16.794 1.00 10.13 H new ATOM 0 HB2 CYS A 829 4.252 -38.623 15.823 1.00 25.23 H new ATOM 0 HB3 CYS A 829 3.686 -38.932 17.453 1.00 25.23 H new ATOM 0 HG CYS A 829 2.020 -40.817 15.215 1.00 10.40 H new ATOM 614 N HIS A 830 3.034 -36.001 15.480 1.00 31.25 N ATOM 615 CA HIS A 830 3.330 -34.587 15.633 1.00 4.03 C ATOM 616 C HIS A 830 3.724 -33.996 14.278 1.00 11.21 C ATOM 617 O HIS A 830 4.480 -34.608 13.525 1.00 33.33 O ATOM 618 CB HIS A 830 4.397 -34.369 16.708 1.00 44.32 C ATOM 619 CG HIS A 830 3.873 -34.459 18.121 1.00 1.51 C ATOM 620 ND1 HIS A 830 4.477 -35.233 19.097 1.00 54.52 N ATOM 621 CD2 HIS A 830 2.797 -33.863 18.712 1.00 25.52 C ATOM 622 CE1 HIS A 830 3.786 -35.102 20.220 1.00 24.42 C ATOM 623 NE2 HIS A 830 2.746 -34.254 19.980 1.00 51.13 N ATOM 0 H HIS A 830 3.344 -36.409 14.598 1.00 31.25 H new ATOM 0 HA HIS A 830 2.439 -34.060 15.975 1.00 4.03 H new ATOM 0 HB2 HIS A 830 5.187 -35.109 16.577 1.00 44.32 H new ATOM 0 HB3 HIS A 830 4.851 -33.389 16.561 1.00 44.32 H new ATOM 0 HD2 HIS A 830 2.105 -33.188 18.230 1.00 25.52 H new ATOM 0 HE1 HIS A 830 4.008 -35.583 21.161 1.00 24.42 H new ATOM 0 HE2 HIS A 830 2.044 -33.967 20.662 1.00 51.13 H new ATOM 631 N TYR A 831 3.193 -32.812 14.009 1.00 65.05 N ATOM 632 CA TYR A 831 3.480 -32.131 12.757 1.00 33.12 C ATOM 633 C TYR A 831 4.770 -31.316 12.859 1.00 4.24 C ATOM 634 O TYR A 831 4.953 -30.552 13.806 1.00 51.41 O ATOM 635 CB TYR A 831 2.307 -31.179 12.518 1.00 54.45 C ATOM 636 CG TYR A 831 1.105 -31.832 11.832 1.00 50.32 C ATOM 637 CD1 TYR A 831 1.167 -32.156 10.492 1.00 41.32 C ATOM 638 CD2 TYR A 831 -0.041 -32.097 12.553 1.00 13.05 C ATOM 639 CE1 TYR A 831 0.036 -32.770 9.846 1.00 21.44 C ATOM 640 CE2 TYR A 831 -1.172 -32.712 11.908 1.00 13.31 C ATOM 641 CZ TYR A 831 -1.078 -33.018 10.586 1.00 22.04 C ATOM 642 OH TYR A 831 -2.146 -33.599 9.977 1.00 50.41 O ATOM 0 H TYR A 831 2.566 -32.307 14.636 1.00 65.05 H new ATOM 0 HA TYR A 831 3.607 -32.851 11.948 1.00 33.12 H new ATOM 0 HB2 TYR A 831 1.986 -30.767 13.475 1.00 54.45 H new ATOM 0 HB3 TYR A 831 2.650 -30.342 11.909 1.00 54.45 H new ATOM 0 HD1 TYR A 831 2.064 -31.949 9.928 1.00 41.32 H new ATOM 0 HD2 TYR A 831 -0.090 -31.843 13.602 1.00 13.05 H new ATOM 0 HE1 TYR A 831 0.071 -33.028 8.798 1.00 21.44 H new ATOM 0 HE2 TYR A 831 -2.075 -32.925 12.461 1.00 13.31 H new ATOM 0 HH TYR A 831 -2.869 -33.717 10.628 1.00 50.41 H new ATOM 652 N THR A 832 5.633 -31.506 11.872 1.00 73.33 N ATOM 653 CA THR A 832 6.901 -30.798 11.839 1.00 61.25 C ATOM 654 C THR A 832 7.116 -30.153 10.468 1.00 12.21 C ATOM 655 O THR A 832 6.403 -30.461 9.514 1.00 24.41 O ATOM 656 CB THR A 832 8.004 -31.786 12.225 1.00 41.43 C ATOM 657 OG1 THR A 832 7.670 -32.975 11.514 1.00 42.52 O ATOM 658 CG2 THR A 832 7.932 -32.198 13.696 1.00 35.52 C ATOM 0 H THR A 832 5.479 -32.141 11.089 1.00 73.33 H new ATOM 0 HA THR A 832 6.914 -29.977 12.556 1.00 61.25 H new ATOM 0 HB THR A 832 8.978 -31.341 12.020 1.00 41.43 H new ATOM 0 HG1 THR A 832 7.227 -32.739 10.672 1.00 42.52 H new ATOM 0 HG21 THR A 832 8.736 -32.899 13.917 1.00 35.52 H new ATOM 0 HG22 THR A 832 8.037 -31.315 14.327 1.00 35.52 H new ATOM 0 HG23 THR A 832 6.971 -32.674 13.894 1.00 35.52 H new ATOM 666 N VAL A 833 8.101 -29.268 10.414 1.00 71.51 N ATOM 667 CA VAL A 833 8.418 -28.577 9.176 1.00 5.11 C ATOM 668 C VAL A 833 9.927 -28.644 8.932 1.00 4.01 C ATOM 669 O VAL A 833 10.716 -28.572 9.873 1.00 31.35 O ATOM 670 CB VAL A 833 7.884 -27.144 9.225 1.00 20.02 C ATOM 671 CG1 VAL A 833 8.597 -26.258 8.202 1.00 12.40 C ATOM 672 CG2 VAL A 833 6.369 -27.117 9.014 1.00 51.52 C ATOM 0 H VAL A 833 8.690 -29.014 11.207 1.00 71.51 H new ATOM 0 HA VAL A 833 7.930 -29.063 8.331 1.00 5.11 H new ATOM 0 HB VAL A 833 8.091 -26.742 10.217 1.00 20.02 H new ATOM 0 HG11 VAL A 833 8.199 -25.245 8.258 1.00 12.40 H new ATOM 0 HG12 VAL A 833 9.665 -26.240 8.418 1.00 12.40 H new ATOM 0 HG13 VAL A 833 8.436 -26.657 7.200 1.00 12.40 H new ATOM 0 HG21 VAL A 833 6.014 -26.087 9.053 1.00 51.52 H new ATOM 0 HG22 VAL A 833 6.129 -27.546 8.041 1.00 51.52 H new ATOM 0 HG23 VAL A 833 5.882 -27.698 9.797 1.00 51.52 H new ATOM 682 N LEU A 834 10.284 -28.781 7.663 1.00 11.14 N ATOM 683 CA LEU A 834 11.684 -28.858 7.284 1.00 63.53 C ATOM 684 C LEU A 834 12.074 -27.587 6.527 1.00 23.21 C ATOM 685 O LEU A 834 11.247 -26.698 6.332 1.00 1.14 O ATOM 686 CB LEU A 834 11.957 -30.146 6.504 1.00 25.42 C ATOM 687 CG LEU A 834 11.446 -31.439 7.144 1.00 41.22 C ATOM 688 CD1 LEU A 834 10.037 -31.774 6.652 1.00 53.42 C ATOM 689 CD2 LEU A 834 12.424 -32.591 6.908 1.00 23.53 C ATOM 0 H LEU A 834 9.627 -28.841 6.885 1.00 11.14 H new ATOM 0 HA LEU A 834 12.316 -28.908 8.170 1.00 63.53 H new ATOM 0 HB2 LEU A 834 11.507 -30.051 5.516 1.00 25.42 H new ATOM 0 HB3 LEU A 834 13.033 -30.237 6.357 1.00 25.42 H new ATOM 0 HG LEU A 834 11.383 -31.285 8.221 1.00 41.22 H new ATOM 0 HD11 LEU A 834 9.697 -32.697 7.122 1.00 53.42 H new ATOM 0 HD12 LEU A 834 9.358 -30.963 6.913 1.00 53.42 H new ATOM 0 HD13 LEU A 834 10.050 -31.901 5.570 1.00 53.42 H new ATOM 0 HD21 LEU A 834 12.037 -33.498 7.373 1.00 23.53 H new ATOM 0 HD22 LEU A 834 12.542 -32.754 5.837 1.00 23.53 H new ATOM 0 HD23 LEU A 834 13.391 -32.343 7.346 1.00 23.53 H new ATOM 701 N GLY A 835 13.335 -27.542 6.121 1.00 54.40 N ATOM 702 CA GLY A 835 13.844 -26.394 5.390 1.00 44.00 C ATOM 703 C GLY A 835 14.591 -25.437 6.322 1.00 33.42 C ATOM 704 O GLY A 835 13.989 -24.832 7.207 1.00 14.34 O ATOM 0 H GLY A 835 14.018 -28.281 6.284 1.00 54.40 H new ATOM 0 HA2 GLY A 835 14.512 -26.730 4.597 1.00 44.00 H new ATOM 0 HA3 GLY A 835 13.018 -25.869 4.910 1.00 44.00 H new ATOM 708 N ASP A 836 15.891 -25.331 6.091 1.00 20.45 N ATOM 709 CA ASP A 836 16.726 -24.459 6.900 1.00 51.14 C ATOM 710 C ASP A 836 16.295 -23.006 6.686 1.00 61.44 C ATOM 711 O ASP A 836 16.656 -22.127 7.466 1.00 13.11 O ATOM 712 CB ASP A 836 18.198 -24.579 6.500 1.00 74.44 C ATOM 713 CG ASP A 836 18.479 -24.400 5.006 1.00 13.34 C ATOM 714 OD1 ASP A 836 18.135 -25.262 4.184 1.00 45.33 O ATOM 715 OD2 ASP A 836 19.085 -23.305 4.694 1.00 65.13 O ATOM 0 H ASP A 836 16.387 -25.834 5.355 1.00 20.45 H new ATOM 0 HA ASP A 836 16.611 -24.754 7.943 1.00 51.14 H new ATOM 0 HB2 ASP A 836 18.771 -23.835 7.054 1.00 74.44 H new ATOM 0 HB3 ASP A 836 18.564 -25.558 6.808 1.00 74.44 H new ATOM 721 N ALA A 837 15.530 -22.800 5.624 1.00 72.01 N ATOM 722 CA ALA A 837 15.046 -21.469 5.297 1.00 21.34 C ATOM 723 C ALA A 837 14.210 -20.935 6.462 1.00 24.13 C ATOM 724 O ALA A 837 14.326 -19.767 6.830 1.00 41.14 O ATOM 725 CB ALA A 837 14.256 -21.520 3.988 1.00 22.21 C ATOM 0 H ALA A 837 15.233 -23.532 4.979 1.00 72.01 H new ATOM 0 HA ALA A 837 15.880 -20.783 5.148 1.00 21.34 H new ATOM 0 HB1 ALA A 837 13.893 -20.522 3.743 1.00 22.21 H new ATOM 0 HB2 ALA A 837 14.902 -21.878 3.187 1.00 22.21 H new ATOM 0 HB3 ALA A 837 13.409 -22.197 4.100 1.00 22.21 H new ATOM 731 N PHE A 838 13.387 -21.816 7.011 1.00 71.20 N ATOM 732 CA PHE A 838 12.532 -21.448 8.127 1.00 41.23 C ATOM 733 C PHE A 838 13.267 -21.614 9.459 1.00 75.44 C ATOM 734 O PHE A 838 12.791 -21.154 10.496 1.00 60.45 O ATOM 735 CB PHE A 838 11.329 -22.393 8.099 1.00 2.25 C ATOM 736 CG PHE A 838 10.745 -22.617 6.703 1.00 3.30 C ATOM 737 CD1 PHE A 838 10.917 -21.677 5.735 1.00 2.23 C ATOM 738 CD2 PHE A 838 10.054 -23.756 6.430 1.00 45.15 C ATOM 739 CE1 PHE A 838 10.375 -21.885 4.439 1.00 4.33 C ATOM 740 CE2 PHE A 838 9.513 -23.964 5.134 1.00 53.24 C ATOM 741 CZ PHE A 838 9.685 -23.024 4.166 1.00 54.12 C ATOM 0 H PHE A 838 13.294 -22.784 6.704 1.00 71.20 H new ATOM 0 HA PHE A 838 12.231 -20.404 8.037 1.00 41.23 H new ATOM 0 HB2 PHE A 838 11.626 -23.355 8.516 1.00 2.25 H new ATOM 0 HB3 PHE A 838 10.550 -21.992 8.747 1.00 2.25 H new ATOM 0 HD1 PHE A 838 11.466 -20.772 5.952 1.00 2.23 H new ATOM 0 HD2 PHE A 838 9.917 -24.502 7.199 1.00 45.15 H new ATOM 0 HE1 PHE A 838 10.511 -21.138 3.670 1.00 4.33 H new ATOM 0 HE2 PHE A 838 8.965 -24.869 4.917 1.00 53.24 H new ATOM 0 HZ PHE A 838 9.273 -23.183 3.180 1.00 54.12 H new ATOM 751 N LYS A 839 14.413 -22.274 9.387 1.00 45.32 N ATOM 752 CA LYS A 839 15.218 -22.507 10.574 1.00 43.20 C ATOM 753 C LYS A 839 15.741 -21.169 11.101 1.00 63.10 C ATOM 754 O LYS A 839 15.967 -21.016 12.300 1.00 12.34 O ATOM 755 CB LYS A 839 16.321 -23.526 10.282 1.00 20.40 C ATOM 756 CG LYS A 839 15.760 -24.950 10.260 1.00 50.34 C ATOM 757 CD LYS A 839 16.885 -25.984 10.336 1.00 10.24 C ATOM 758 CE LYS A 839 16.428 -27.333 9.778 1.00 45.02 C ATOM 759 NZ LYS A 839 17.361 -28.406 10.188 1.00 22.34 N ATOM 0 H LYS A 839 14.804 -22.655 8.525 1.00 45.32 H new ATOM 0 HA LYS A 839 14.611 -22.947 11.365 1.00 43.20 H new ATOM 0 HB2 LYS A 839 16.786 -23.299 9.322 1.00 20.40 H new ATOM 0 HB3 LYS A 839 17.101 -23.450 11.040 1.00 20.40 H new ATOM 0 HG2 LYS A 839 15.077 -25.088 11.098 1.00 50.34 H new ATOM 0 HG3 LYS A 839 15.182 -25.103 9.349 1.00 50.34 H new ATOM 0 HD2 LYS A 839 17.749 -25.628 9.775 1.00 10.24 H new ATOM 0 HD3 LYS A 839 17.204 -26.104 11.371 1.00 10.24 H new ATOM 0 HE2 LYS A 839 15.424 -27.560 10.136 1.00 45.02 H new ATOM 0 HE3 LYS A 839 16.376 -27.284 8.690 1.00 45.02 H new ATOM 0 HZ1 LYS A 839 17.691 -28.919 9.346 1.00 22.34 H new ATOM 0 HZ2 LYS A 839 18.176 -27.988 10.680 1.00 22.34 H new ATOM 0 HZ3 LYS A 839 16.872 -29.066 10.826 1.00 22.34 H new ATOM 772 N GLU A 840 15.919 -20.235 10.179 1.00 41.25 N ATOM 773 CA GLU A 840 16.411 -18.915 10.535 1.00 25.12 C ATOM 774 C GLU A 840 15.242 -17.977 10.842 1.00 61.24 C ATOM 775 O GLU A 840 15.436 -16.902 11.406 1.00 52.52 O ATOM 776 CB GLU A 840 17.298 -18.343 9.427 1.00 14.42 C ATOM 777 CG GLU A 840 16.644 -18.520 8.055 1.00 32.23 C ATOM 778 CD GLU A 840 17.182 -17.495 7.055 1.00 75.01 C ATOM 779 OE1 GLU A 840 16.477 -16.533 6.714 1.00 4.35 O ATOM 780 OE2 GLU A 840 18.377 -17.725 6.628 1.00 2.55 O ATOM 0 H GLU A 840 15.731 -20.366 9.185 1.00 41.25 H new ATOM 0 HA GLU A 840 17.022 -19.007 11.433 1.00 25.12 H new ATOM 0 HB2 GLU A 840 17.481 -17.285 9.613 1.00 14.42 H new ATOM 0 HB3 GLU A 840 18.267 -18.841 9.439 1.00 14.42 H new ATOM 0 HG2 GLU A 840 16.833 -19.528 7.685 1.00 32.23 H new ATOM 0 HG3 GLU A 840 15.563 -18.411 8.147 1.00 32.23 H new ATOM 788 N CYS A 841 14.054 -18.419 10.456 1.00 20.10 N ATOM 789 CA CYS A 841 12.853 -17.633 10.682 1.00 4.44 C ATOM 790 C CYS A 841 12.507 -17.702 12.171 1.00 4.11 C ATOM 791 O CYS A 841 11.808 -16.834 12.690 1.00 13.35 O ATOM 792 CB CYS A 841 11.693 -18.106 9.804 1.00 3.32 C ATOM 793 SG CYS A 841 11.909 -17.487 8.095 1.00 24.35 S ATOM 0 H CYS A 841 13.898 -19.312 9.988 1.00 20.10 H new ATOM 0 HA CYS A 841 13.036 -16.596 10.400 1.00 4.44 H new ATOM 0 HB2 CYS A 841 11.648 -19.195 9.802 1.00 3.32 H new ATOM 0 HB3 CYS A 841 10.748 -17.749 10.212 1.00 3.32 H new ATOM 0 HG CYS A 841 12.783 -18.223 7.474 1.00 24.35 H new ATOM 799 N PHE A 842 13.013 -18.743 12.816 1.00 45.12 N ATOM 800 CA PHE A 842 12.767 -18.937 14.235 1.00 53.25 C ATOM 801 C PHE A 842 14.075 -18.905 15.028 1.00 15.30 C ATOM 802 O PHE A 842 15.122 -18.549 14.491 1.00 63.34 O ATOM 803 CB PHE A 842 12.122 -20.315 14.392 1.00 21.30 C ATOM 804 CG PHE A 842 13.121 -21.441 14.670 1.00 55.01 C ATOM 805 CD1 PHE A 842 13.912 -21.910 13.668 1.00 21.44 C ATOM 806 CD2 PHE A 842 13.216 -21.972 15.918 1.00 24.11 C ATOM 807 CE1 PHE A 842 14.839 -22.955 13.926 1.00 34.03 C ATOM 808 CE2 PHE A 842 14.143 -23.017 16.176 1.00 51.10 C ATOM 809 CZ PHE A 842 14.934 -23.486 15.175 1.00 65.35 C ATOM 0 H PHE A 842 13.593 -19.461 12.382 1.00 45.12 H new ATOM 0 HA PHE A 842 12.125 -18.142 14.614 1.00 53.25 H new ATOM 0 HB2 PHE A 842 11.398 -20.276 15.206 1.00 21.30 H new ATOM 0 HB3 PHE A 842 11.567 -20.551 13.484 1.00 21.30 H new ATOM 0 HD1 PHE A 842 13.835 -21.488 12.677 1.00 21.44 H new ATOM 0 HD2 PHE A 842 12.587 -21.599 16.713 1.00 24.11 H new ATOM 0 HE1 PHE A 842 15.468 -23.328 13.131 1.00 34.03 H new ATOM 0 HE2 PHE A 842 14.219 -23.439 17.167 1.00 51.10 H new ATOM 0 HZ PHE A 842 15.638 -24.281 15.371 1.00 65.35 H new ATOM 819 N VAL A 843 13.971 -19.281 16.294 1.00 14.11 N ATOM 820 CA VAL A 843 15.132 -19.300 17.167 1.00 2.30 C ATOM 821 C VAL A 843 14.958 -20.400 18.216 1.00 4.43 C ATOM 822 O VAL A 843 13.856 -20.910 18.409 1.00 11.44 O ATOM 823 CB VAL A 843 15.347 -17.915 17.782 1.00 20.31 C ATOM 824 CG1 VAL A 843 15.164 -16.815 16.734 1.00 35.54 C ATOM 825 CG2 VAL A 843 14.417 -17.696 18.977 1.00 55.44 C ATOM 0 H VAL A 843 13.100 -19.575 16.736 1.00 14.11 H new ATOM 0 HA VAL A 843 16.033 -19.532 16.599 1.00 2.30 H new ATOM 0 HB VAL A 843 16.374 -17.864 18.144 1.00 20.31 H new ATOM 0 HG11 VAL A 843 15.322 -15.841 17.197 1.00 35.54 H new ATOM 0 HG12 VAL A 843 15.886 -16.956 15.929 1.00 35.54 H new ATOM 0 HG13 VAL A 843 14.154 -16.864 16.328 1.00 35.54 H new ATOM 0 HG21 VAL A 843 14.590 -16.705 19.396 1.00 55.44 H new ATOM 0 HG22 VAL A 843 13.380 -17.776 18.651 1.00 55.44 H new ATOM 0 HG23 VAL A 843 14.618 -18.451 19.737 1.00 55.44 H new ATOM 835 N SER A 844 16.064 -20.733 18.866 1.00 13.34 N ATOM 836 CA SER A 844 16.048 -21.763 19.891 1.00 14.21 C ATOM 837 C SER A 844 16.932 -21.345 21.067 1.00 4.13 C ATOM 838 O SER A 844 18.096 -20.993 20.879 1.00 12.40 O ATOM 839 CB SER A 844 16.513 -23.107 19.328 1.00 21.11 C ATOM 840 OG SER A 844 17.146 -23.911 20.320 1.00 2.10 O ATOM 0 H SER A 844 16.977 -20.308 18.703 1.00 13.34 H new ATOM 0 HA SER A 844 15.022 -21.882 20.241 1.00 14.21 H new ATOM 0 HB2 SER A 844 15.658 -23.644 18.918 1.00 21.11 H new ATOM 0 HB3 SER A 844 17.206 -22.935 18.504 1.00 21.11 H new ATOM 0 HG SER A 844 17.427 -24.761 19.922 1.00 2.10 H new ATOM 846 N ARG A 845 16.347 -21.398 22.255 1.00 42.23 N ATOM 847 CA ARG A 845 17.068 -21.029 23.461 1.00 31.24 C ATOM 848 C ARG A 845 17.454 -22.281 24.252 1.00 11.44 C ATOM 849 O ARG A 845 16.804 -23.318 24.135 1.00 31.34 O ATOM 850 CB ARG A 845 16.223 -20.113 24.349 1.00 21.43 C ATOM 851 CG ARG A 845 15.352 -19.182 23.504 1.00 1.43 C ATOM 852 CD ARG A 845 16.191 -18.445 22.458 1.00 24.50 C ATOM 853 NE ARG A 845 15.568 -17.143 22.134 1.00 74.24 N ATOM 854 CZ ARG A 845 16.243 -16.081 21.644 1.00 32.44 C ATOM 855 NH1 ARG A 845 17.572 -16.159 21.419 1.00 75.33 N ATOM 856 NH2 ARG A 845 15.584 -14.966 21.390 1.00 4.03 N ATOM 0 H ARG A 845 15.382 -21.691 22.408 1.00 42.23 H new ATOM 0 HA ARG A 845 17.968 -20.494 23.159 1.00 31.24 H new ATOM 0 HB2 ARG A 845 15.591 -20.715 25.002 1.00 21.43 H new ATOM 0 HB3 ARG A 845 16.875 -19.522 24.993 1.00 21.43 H new ATOM 0 HG2 ARG A 845 14.571 -19.759 23.008 1.00 1.43 H new ATOM 0 HG3 ARG A 845 14.853 -18.460 24.150 1.00 1.43 H new ATOM 0 HD2 ARG A 845 17.202 -18.290 22.835 1.00 24.50 H new ATOM 0 HD3 ARG A 845 16.276 -19.051 21.556 1.00 24.50 H new ATOM 0 HE ARG A 845 14.565 -17.041 22.291 1.00 74.24 H new ATOM 0 HH11 ARG A 845 18.073 -17.024 21.619 1.00 75.33 H new ATOM 0 HH12 ARG A 845 18.075 -15.352 21.049 1.00 75.33 H new ATOM 0 HH21 ARG A 845 14.580 -14.916 21.564 1.00 4.03 H new ATOM 0 HH22 ARG A 845 16.079 -14.154 21.020 1.00 4.03 H new ATOM 869 N PRO A 846 18.538 -22.138 25.061 1.00 11.21 N ATOM 870 CA PRO A 846 19.018 -23.244 25.871 1.00 22.32 C ATOM 871 C PRO A 846 18.106 -23.477 27.077 1.00 30.33 C ATOM 872 O PRO A 846 17.482 -22.543 27.578 1.00 3.11 O ATOM 873 CB PRO A 846 20.435 -22.858 26.264 1.00 60.41 C ATOM 874 CG PRO A 846 20.532 -21.356 26.053 1.00 74.25 C ATOM 875 CD PRO A 846 19.332 -20.924 25.225 1.00 2.11 C ATOM 0 HA PRO A 846 19.012 -24.192 25.334 1.00 22.32 H new ATOM 0 HB2 PRO A 846 20.637 -23.120 27.302 1.00 60.41 H new ATOM 0 HB3 PRO A 846 21.167 -23.386 25.653 1.00 60.41 H new ATOM 0 HG2 PRO A 846 20.542 -20.836 27.011 1.00 74.25 H new ATOM 0 HG3 PRO A 846 21.460 -21.101 25.542 1.00 74.25 H new ATOM 0 HD2 PRO A 846 18.763 -20.144 25.730 1.00 2.11 H new ATOM 0 HD3 PRO A 846 19.641 -20.520 24.261 1.00 2.11 H new ATOM 883 N HIS A 847 18.057 -24.729 27.509 1.00 62.02 N ATOM 884 CA HIS A 847 17.232 -25.097 28.647 1.00 52.33 C ATOM 885 C HIS A 847 17.503 -26.554 29.028 1.00 55.44 C ATOM 886 O HIS A 847 17.814 -27.376 28.168 1.00 72.40 O ATOM 887 CB HIS A 847 15.754 -24.824 28.357 1.00 64.42 C ATOM 888 CG HIS A 847 14.993 -24.257 29.531 1.00 53.02 C ATOM 889 ND1 HIS A 847 15.237 -22.995 30.044 1.00 62.11 N ATOM 890 CD2 HIS A 847 13.990 -24.792 30.285 1.00 53.32 C ATOM 891 CE1 HIS A 847 14.414 -22.791 31.061 1.00 15.53 C ATOM 892 NE2 HIS A 847 13.642 -23.905 31.209 1.00 34.33 N ATOM 0 H HIS A 847 18.576 -25.501 27.091 1.00 62.02 H new ATOM 0 HA HIS A 847 17.494 -24.479 29.506 1.00 52.33 H new ATOM 0 HB2 HIS A 847 15.681 -24.130 27.520 1.00 64.42 H new ATOM 0 HB3 HIS A 847 15.278 -25.753 28.043 1.00 64.42 H new ATOM 0 HD2 HIS A 847 13.553 -25.771 30.153 1.00 53.32 H new ATOM 0 HE1 HIS A 847 14.363 -21.899 31.667 1.00 15.53 H new ATOM 0 HE2 HIS A 847 12.916 -24.035 31.914 1.00 34.33 H new ATOM 900 N PRO A 848 17.371 -26.835 30.352 1.00 74.44 N ATOM 901 CA PRO A 848 17.597 -28.179 30.857 1.00 5.51 C ATOM 902 C PRO A 848 16.427 -29.100 30.509 1.00 61.51 C ATOM 903 O PRO A 848 15.608 -28.773 29.652 1.00 14.31 O ATOM 904 CB PRO A 848 17.794 -28.007 32.355 1.00 74.34 C ATOM 905 CG PRO A 848 17.211 -26.646 32.698 1.00 2.04 C ATOM 906 CD PRO A 848 17.003 -25.886 31.398 1.00 24.24 C ATOM 0 HA PRO A 848 18.466 -28.658 30.406 1.00 5.51 H new ATOM 0 HB2 PRO A 848 17.290 -28.799 32.909 1.00 74.34 H new ATOM 0 HB3 PRO A 848 18.851 -28.057 32.618 1.00 74.34 H new ATOM 0 HG2 PRO A 848 16.266 -26.759 33.230 1.00 2.04 H new ATOM 0 HG3 PRO A 848 17.884 -26.098 33.357 1.00 2.04 H new ATOM 0 HD2 PRO A 848 15.968 -25.560 31.291 1.00 24.24 H new ATOM 0 HD3 PRO A 848 17.625 -24.992 31.358 1.00 24.24 H new ATOM 914 N LYS A 849 16.386 -30.235 31.191 1.00 21.33 N ATOM 915 CA LYS A 849 15.330 -31.207 30.965 1.00 14.10 C ATOM 916 C LYS A 849 14.166 -30.919 31.915 1.00 13.05 C ATOM 917 O LYS A 849 14.378 -30.618 33.089 1.00 52.41 O ATOM 918 CB LYS A 849 15.878 -32.631 31.078 1.00 50.20 C ATOM 919 CG LYS A 849 14.812 -33.588 31.615 1.00 11.12 C ATOM 920 CD LYS A 849 15.387 -34.991 31.818 1.00 21.12 C ATOM 921 CE LYS A 849 14.475 -35.833 32.712 1.00 31.51 C ATOM 922 NZ LYS A 849 15.244 -36.919 33.361 1.00 0.32 N ATOM 0 H LYS A 849 17.068 -30.503 31.901 1.00 21.33 H new ATOM 0 HA LYS A 849 14.943 -31.119 29.950 1.00 14.10 H new ATOM 0 HB2 LYS A 849 16.219 -32.972 30.100 1.00 50.20 H new ATOM 0 HB3 LYS A 849 16.745 -32.639 31.738 1.00 50.20 H new ATOM 0 HG2 LYS A 849 14.422 -33.211 32.560 1.00 11.12 H new ATOM 0 HG3 LYS A 849 13.974 -33.632 30.920 1.00 11.12 H new ATOM 0 HD2 LYS A 849 15.509 -35.481 30.852 1.00 21.12 H new ATOM 0 HD3 LYS A 849 16.378 -34.920 32.267 1.00 21.12 H new ATOM 0 HE2 LYS A 849 14.016 -35.200 33.472 1.00 31.51 H new ATOM 0 HE3 LYS A 849 13.665 -36.257 32.119 1.00 31.51 H new ATOM 0 HZ1 LYS A 849 14.610 -37.481 33.964 1.00 0.32 H new ATOM 0 HZ2 LYS A 849 15.662 -37.532 32.632 1.00 0.32 H new ATOM 0 HZ3 LYS A 849 16.001 -36.508 33.943 1.00 0.32 H new ATOM 935 N PRO A 850 12.929 -31.025 31.359 1.00 44.33 N ATOM 936 CA PRO A 850 11.732 -30.779 32.144 1.00 74.13 C ATOM 937 C PRO A 850 11.445 -31.949 33.087 1.00 32.01 C ATOM 938 O PRO A 850 11.910 -31.961 34.226 1.00 71.43 O ATOM 939 CB PRO A 850 10.630 -30.557 31.121 1.00 54.22 C ATOM 940 CG PRO A 850 11.147 -31.143 29.817 1.00 52.51 C ATOM 941 CD PRO A 850 12.640 -31.379 29.972 1.00 21.44 C ATOM 0 HA PRO A 850 11.829 -29.914 32.800 1.00 74.13 H new ATOM 0 HB2 PRO A 850 9.706 -31.046 31.430 1.00 54.22 H new ATOM 0 HB3 PRO A 850 10.407 -29.496 31.011 1.00 54.22 H new ATOM 0 HG2 PRO A 850 10.634 -32.078 29.589 1.00 52.51 H new ATOM 0 HG3 PRO A 850 10.952 -30.462 28.989 1.00 52.51 H new ATOM 0 HD2 PRO A 850 12.900 -32.417 29.766 1.00 21.44 H new ATOM 0 HD3 PRO A 850 13.212 -30.763 29.279 1.00 21.44 H new ATOM 949 N LYS A 851 10.680 -32.904 32.578 1.00 23.13 N ATOM 950 CA LYS A 851 10.326 -34.076 33.361 1.00 1.11 C ATOM 951 C LYS A 851 10.462 -35.326 32.490 1.00 71.13 C ATOM 952 O LYS A 851 10.712 -35.226 31.289 1.00 34.55 O ATOM 953 CB LYS A 851 8.938 -33.906 33.981 1.00 33.22 C ATOM 954 CG LYS A 851 9.026 -33.215 35.343 1.00 3.32 C ATOM 955 CD LYS A 851 9.202 -34.238 36.467 1.00 3.11 C ATOM 956 CE LYS A 851 10.657 -34.704 36.562 1.00 54.43 C ATOM 957 NZ LYS A 851 11.576 -33.545 36.509 1.00 23.10 N ATOM 0 H LYS A 851 10.296 -32.890 31.633 1.00 23.13 H new ATOM 0 HA LYS A 851 11.012 -34.196 34.200 1.00 1.11 H new ATOM 0 HB2 LYS A 851 8.307 -33.321 33.313 1.00 33.22 H new ATOM 0 HB3 LYS A 851 8.465 -34.881 34.094 1.00 33.22 H new ATOM 0 HG2 LYS A 851 9.863 -32.517 35.347 1.00 3.32 H new ATOM 0 HG3 LYS A 851 8.123 -32.630 35.517 1.00 3.32 H new ATOM 0 HD2 LYS A 851 8.895 -33.798 37.416 1.00 3.11 H new ATOM 0 HD3 LYS A 851 8.553 -35.095 36.288 1.00 3.11 H new ATOM 0 HE2 LYS A 851 10.809 -35.254 37.491 1.00 54.43 H new ATOM 0 HE3 LYS A 851 10.880 -35.390 35.745 1.00 54.43 H new ATOM 0 HZ1 LYS A 851 12.523 -33.838 36.825 1.00 23.10 H new ATOM 0 HZ2 LYS A 851 11.631 -33.190 35.533 1.00 23.10 H new ATOM 0 HZ3 LYS A 851 11.221 -32.792 37.132 1.00 23.10 H new ATOM 970 N GLN A 852 10.291 -36.475 33.128 1.00 44.41 N ATOM 971 CA GLN A 852 10.392 -37.743 32.426 1.00 12.10 C ATOM 972 C GLN A 852 9.021 -38.419 32.353 1.00 23.10 C ATOM 973 O GLN A 852 8.511 -38.906 33.361 1.00 52.41 O ATOM 974 CB GLN A 852 11.420 -38.659 33.093 1.00 42.42 C ATOM 975 CG GLN A 852 11.456 -40.029 32.414 1.00 75.40 C ATOM 976 CD GLN A 852 11.566 -39.886 30.895 1.00 61.13 C ATOM 977 OE1 GLN A 852 12.366 -39.127 30.373 1.00 5.04 O ATOM 978 NE2 GLN A 852 10.720 -40.656 30.216 1.00 43.23 N ATOM 0 H GLN A 852 10.083 -36.554 34.123 1.00 44.41 H new ATOM 0 HA GLN A 852 10.734 -37.547 31.410 1.00 12.10 H new ATOM 0 HB2 GLN A 852 12.407 -38.199 33.045 1.00 42.42 H new ATOM 0 HB3 GLN A 852 11.175 -38.779 34.148 1.00 42.42 H new ATOM 0 HG2 GLN A 852 12.302 -40.603 32.791 1.00 75.40 H new ATOM 0 HG3 GLN A 852 10.554 -40.587 32.666 1.00 75.40 H new ATOM 0 HE21 GLN A 852 10.076 -41.269 30.715 1.00 43.23 H new ATOM 0 HE22 GLN A 852 10.716 -40.633 29.196 1.00 43.23 H new ATOM 987 N PHE A 853 8.465 -38.428 31.151 1.00 74.12 N ATOM 988 CA PHE A 853 7.163 -39.037 30.933 1.00 2.32 C ATOM 989 C PHE A 853 7.134 -39.813 29.615 1.00 43.20 C ATOM 990 O PHE A 853 8.040 -39.682 28.793 1.00 3.24 O ATOM 991 CB PHE A 853 6.143 -37.898 30.864 1.00 63.44 C ATOM 992 CG PHE A 853 5.644 -37.426 32.231 1.00 43.44 C ATOM 993 CD1 PHE A 853 4.669 -38.120 32.876 1.00 62.10 C ATOM 994 CD2 PHE A 853 6.176 -36.311 32.800 1.00 13.21 C ATOM 995 CE1 PHE A 853 4.206 -37.681 34.145 1.00 61.35 C ATOM 996 CE2 PHE A 853 5.713 -35.872 34.069 1.00 55.03 C ATOM 997 CZ PHE A 853 4.737 -36.567 34.714 1.00 4.51 C ATOM 0 H PHE A 853 8.892 -38.024 30.317 1.00 74.12 H new ATOM 0 HA PHE A 853 6.939 -39.736 31.739 1.00 2.32 H new ATOM 0 HB2 PHE A 853 6.592 -37.053 30.341 1.00 63.44 H new ATOM 0 HB3 PHE A 853 5.289 -38.224 30.270 1.00 63.44 H new ATOM 0 HD1 PHE A 853 4.247 -39.005 32.424 1.00 62.10 H new ATOM 0 HD2 PHE A 853 6.950 -35.760 32.287 1.00 13.21 H new ATOM 0 HE1 PHE A 853 3.432 -38.233 34.658 1.00 61.35 H new ATOM 0 HE2 PHE A 853 6.135 -34.987 34.522 1.00 55.03 H new ATOM 0 HZ PHE A 853 4.384 -36.233 35.679 1.00 4.51 H new ATOM 1007 N SER A 854 6.084 -40.604 29.454 1.00 71.10 N ATOM 1008 CA SER A 854 5.925 -41.401 28.250 1.00 61.34 C ATOM 1009 C SER A 854 6.006 -40.503 27.013 1.00 32.43 C ATOM 1010 O SER A 854 6.738 -40.802 26.072 1.00 64.15 O ATOM 1011 CB SER A 854 4.599 -42.165 28.265 1.00 4.24 C ATOM 1012 OG SER A 854 4.460 -42.968 29.435 1.00 55.55 O ATOM 0 H SER A 854 5.335 -40.710 30.138 1.00 71.10 H new ATOM 0 HA SER A 854 6.733 -42.131 28.215 1.00 61.34 H new ATOM 0 HB2 SER A 854 3.772 -41.457 28.210 1.00 4.24 H new ATOM 0 HB3 SER A 854 4.535 -42.799 27.380 1.00 4.24 H new ATOM 0 HG SER A 854 3.601 -43.438 29.409 1.00 55.55 H new ATOM 1018 N SER A 855 5.242 -39.421 27.056 1.00 25.45 N ATOM 1019 CA SER A 855 5.218 -38.478 25.952 1.00 43.04 C ATOM 1020 C SER A 855 6.611 -37.879 25.744 1.00 30.22 C ATOM 1021 O SER A 855 7.564 -38.269 26.417 1.00 45.43 O ATOM 1022 CB SER A 855 4.195 -37.368 26.197 1.00 14.15 C ATOM 1023 OG SER A 855 2.885 -37.749 25.786 1.00 74.11 O ATOM 0 H SER A 855 4.635 -39.177 27.839 1.00 25.45 H new ATOM 0 HA SER A 855 4.922 -39.015 25.051 1.00 43.04 H new ATOM 0 HB2 SER A 855 4.183 -37.114 27.257 1.00 14.15 H new ATOM 0 HB3 SER A 855 4.498 -36.471 25.657 1.00 14.15 H new ATOM 0 HG SER A 855 2.261 -37.014 25.961 1.00 74.11 H new ATOM 1029 N PHE A 856 6.684 -36.942 24.811 1.00 61.15 N ATOM 1030 CA PHE A 856 7.944 -36.286 24.506 1.00 2.31 C ATOM 1031 C PHE A 856 8.211 -35.134 25.477 1.00 0.30 C ATOM 1032 O PHE A 856 7.277 -34.537 26.010 1.00 34.41 O ATOM 1033 CB PHE A 856 7.825 -35.724 23.088 1.00 71.41 C ATOM 1034 CG PHE A 856 7.823 -36.794 21.993 1.00 1.35 C ATOM 1035 CD1 PHE A 856 7.780 -38.111 22.330 1.00 53.33 C ATOM 1036 CD2 PHE A 856 7.865 -36.427 20.684 1.00 33.04 C ATOM 1037 CE1 PHE A 856 7.778 -39.103 21.314 1.00 31.11 C ATOM 1038 CE2 PHE A 856 7.863 -37.419 19.669 1.00 71.41 C ATOM 1039 CZ PHE A 856 7.820 -38.736 20.005 1.00 34.50 C ATOM 0 H PHE A 856 5.891 -36.621 24.256 1.00 61.15 H new ATOM 0 HA PHE A 856 8.765 -36.998 24.594 1.00 2.31 H new ATOM 0 HB2 PHE A 856 6.906 -35.142 23.015 1.00 71.41 H new ATOM 0 HB3 PHE A 856 8.653 -35.037 22.910 1.00 71.41 H new ATOM 0 HD1 PHE A 856 7.747 -38.402 23.370 1.00 53.33 H new ATOM 0 HD2 PHE A 856 7.900 -35.381 20.417 1.00 33.04 H new ATOM 0 HE1 PHE A 856 7.743 -40.149 21.581 1.00 31.11 H new ATOM 0 HE2 PHE A 856 7.896 -37.128 18.629 1.00 71.41 H new ATOM 0 HZ PHE A 856 7.819 -39.491 19.232 1.00 34.50 H new ATOM 1049 N GLU A 857 9.491 -34.855 25.677 1.00 32.23 N ATOM 1050 CA GLU A 857 9.892 -33.785 26.575 1.00 63.33 C ATOM 1051 C GLU A 857 10.872 -32.843 25.872 1.00 11.04 C ATOM 1052 O GLU A 857 11.999 -33.229 25.568 1.00 45.33 O ATOM 1053 CB GLU A 857 10.500 -34.348 27.861 1.00 14.24 C ATOM 1054 CG GLU A 857 11.219 -35.671 27.595 1.00 64.40 C ATOM 1055 CD GLU A 857 12.326 -35.910 28.624 1.00 65.12 C ATOM 1056 OE1 GLU A 857 12.336 -36.954 29.294 1.00 53.52 O ATOM 1057 OE2 GLU A 857 13.200 -34.965 28.714 1.00 30.20 O ATOM 0 H GLU A 857 10.264 -35.351 25.233 1.00 32.23 H new ATOM 0 HA GLU A 857 9.004 -33.216 26.851 1.00 63.33 H new ATOM 0 HB2 GLU A 857 11.201 -33.627 28.282 1.00 14.24 H new ATOM 0 HB3 GLU A 857 9.715 -34.499 28.602 1.00 14.24 H new ATOM 0 HG2 GLU A 857 10.502 -36.492 27.629 1.00 64.40 H new ATOM 0 HG3 GLU A 857 11.646 -35.662 26.592 1.00 64.40 H new ATOM 1065 N LYS A 858 10.406 -31.625 25.636 1.00 71.50 N ATOM 1066 CA LYS A 858 11.227 -30.625 24.975 1.00 31.12 C ATOM 1067 C LYS A 858 12.399 -30.251 25.885 1.00 32.41 C ATOM 1068 O LYS A 858 12.260 -30.237 27.107 1.00 2.32 O ATOM 1069 CB LYS A 858 10.374 -29.429 24.548 1.00 11.23 C ATOM 1070 CG LYS A 858 10.311 -28.377 25.658 1.00 54.14 C ATOM 1071 CD LYS A 858 9.601 -28.928 26.896 1.00 53.11 C ATOM 1072 CE LYS A 858 8.091 -29.023 26.666 1.00 41.14 C ATOM 1073 NZ LYS A 858 7.744 -30.313 26.028 1.00 44.45 N ATOM 0 H LYS A 858 9.470 -31.308 25.891 1.00 71.50 H new ATOM 0 HA LYS A 858 11.653 -31.028 24.056 1.00 31.12 H new ATOM 0 HB2 LYS A 858 10.791 -28.985 23.644 1.00 11.23 H new ATOM 0 HB3 LYS A 858 9.367 -29.765 24.303 1.00 11.23 H new ATOM 0 HG2 LYS A 858 11.320 -28.062 25.923 1.00 54.14 H new ATOM 0 HG3 LYS A 858 9.786 -27.493 25.297 1.00 54.14 H new ATOM 0 HD2 LYS A 858 9.998 -29.914 27.139 1.00 53.11 H new ATOM 0 HD3 LYS A 858 9.802 -28.284 27.752 1.00 53.11 H new ATOM 0 HE2 LYS A 858 7.566 -28.928 27.616 1.00 41.14 H new ATOM 0 HE3 LYS A 858 7.761 -28.198 26.035 1.00 41.14 H new ATOM 0 HZ1 LYS A 858 6.748 -30.541 26.225 1.00 44.45 H new ATOM 0 HZ2 LYS A 858 7.886 -30.241 25.000 1.00 44.45 H new ATOM 0 HZ3 LYS A 858 8.353 -31.064 26.410 1.00 44.45 H new ATOM 1086 N ARG A 859 13.526 -29.958 25.254 1.00 23.51 N ATOM 1087 CA ARG A 859 14.722 -29.586 25.992 1.00 54.35 C ATOM 1088 C ARG A 859 15.229 -28.220 25.524 1.00 24.21 C ATOM 1089 O ARG A 859 16.388 -27.874 25.750 1.00 31.23 O ATOM 1090 CB ARG A 859 15.829 -30.625 25.807 1.00 42.25 C ATOM 1091 CG ARG A 859 15.633 -31.810 26.754 1.00 1.22 C ATOM 1092 CD ARG A 859 16.438 -33.024 26.287 1.00 32.51 C ATOM 1093 NE ARG A 859 17.802 -32.607 25.895 1.00 64.11 N ATOM 1094 CZ ARG A 859 18.614 -33.330 25.094 1.00 41.31 C ATOM 1095 NH1 ARG A 859 18.204 -34.514 24.592 1.00 22.24 N ATOM 1096 NH2 ARG A 859 19.815 -32.861 24.809 1.00 54.24 N ATOM 0 H ARG A 859 13.637 -29.970 24.240 1.00 23.51 H new ATOM 0 HA ARG A 859 14.459 -29.538 27.049 1.00 54.35 H new ATOM 0 HB2 ARG A 859 15.834 -30.976 24.775 1.00 42.25 H new ATOM 0 HB3 ARG A 859 16.799 -30.164 25.991 1.00 42.25 H new ATOM 0 HG2 ARG A 859 15.942 -31.530 27.761 1.00 1.22 H new ATOM 0 HG3 ARG A 859 14.575 -32.068 26.805 1.00 1.22 H new ATOM 0 HD2 ARG A 859 16.491 -33.765 27.085 1.00 32.51 H new ATOM 0 HD3 ARG A 859 15.938 -33.500 25.443 1.00 32.51 H new ATOM 0 HE ARG A 859 18.151 -31.718 26.252 1.00 64.11 H new ATOM 0 HH11 ARG A 859 17.275 -34.869 24.817 1.00 22.24 H new ATOM 0 HH12 ARG A 859 18.824 -35.054 23.988 1.00 22.24 H new ATOM 0 HH21 ARG A 859 20.117 -31.965 25.192 1.00 54.24 H new ATOM 0 HH22 ARG A 859 20.441 -33.394 24.206 1.00 54.24 H new ATOM 1109 N ALA A 860 14.338 -27.481 24.881 1.00 75.33 N ATOM 1110 CA ALA A 860 14.681 -26.161 24.379 1.00 31.44 C ATOM 1111 C ALA A 860 13.404 -25.436 23.950 1.00 43.14 C ATOM 1112 O ALA A 860 12.535 -26.027 23.311 1.00 20.10 O ATOM 1113 CB ALA A 860 15.688 -26.296 23.236 1.00 44.41 C ATOM 0 H ALA A 860 13.378 -27.771 24.696 1.00 75.33 H new ATOM 0 HA ALA A 860 15.152 -25.563 25.159 1.00 31.44 H new ATOM 0 HB1 ALA A 860 15.946 -25.306 22.859 1.00 44.41 H new ATOM 0 HB2 ALA A 860 16.588 -26.791 23.601 1.00 44.41 H new ATOM 0 HB3 ALA A 860 15.249 -26.887 22.432 1.00 44.41 H new ATOM 1119 N LYS A 861 13.332 -24.165 24.317 1.00 32.01 N ATOM 1120 CA LYS A 861 12.176 -23.353 23.978 1.00 51.55 C ATOM 1121 C LYS A 861 12.477 -22.549 22.711 1.00 61.12 C ATOM 1122 O LYS A 861 13.291 -21.627 22.735 1.00 63.41 O ATOM 1123 CB LYS A 861 11.760 -22.488 25.169 1.00 33.35 C ATOM 1124 CG LYS A 861 10.784 -23.240 26.077 1.00 11.24 C ATOM 1125 CD LYS A 861 11.446 -24.475 26.691 1.00 43.01 C ATOM 1126 CE LYS A 861 10.768 -24.865 28.006 1.00 51.14 C ATOM 1127 NZ LYS A 861 11.557 -25.901 28.708 1.00 33.54 N ATOM 0 H LYS A 861 14.055 -23.678 24.846 1.00 32.01 H new ATOM 0 HA LYS A 861 11.317 -23.987 23.758 1.00 51.55 H new ATOM 0 HB2 LYS A 861 12.643 -22.198 25.739 1.00 33.35 H new ATOM 0 HB3 LYS A 861 11.295 -21.569 24.811 1.00 33.35 H new ATOM 0 HG2 LYS A 861 10.436 -22.578 26.870 1.00 11.24 H new ATOM 0 HG3 LYS A 861 9.907 -23.540 25.504 1.00 11.24 H new ATOM 0 HD2 LYS A 861 11.392 -25.307 25.989 1.00 43.01 H new ATOM 0 HD3 LYS A 861 12.503 -24.275 26.868 1.00 43.01 H new ATOM 0 HE2 LYS A 861 10.663 -23.986 28.642 1.00 51.14 H new ATOM 0 HE3 LYS A 861 9.763 -25.237 27.807 1.00 51.14 H new ATOM 0 HZ1 LYS A 861 11.547 -25.712 29.731 1.00 33.54 H new ATOM 0 HZ2 LYS A 861 11.142 -26.837 28.525 1.00 33.54 H new ATOM 0 HZ3 LYS A 861 12.538 -25.884 28.363 1.00 33.54 H new ATOM 1140 N ILE A 862 11.804 -22.928 21.634 1.00 1.12 N ATOM 1141 CA ILE A 862 11.990 -22.254 20.360 1.00 35.22 C ATOM 1142 C ILE A 862 11.006 -21.087 20.258 1.00 73.05 C ATOM 1143 O ILE A 862 9.831 -21.229 20.594 1.00 61.22 O ATOM 1144 CB ILE A 862 11.882 -23.252 19.206 1.00 62.43 C ATOM 1145 CG1 ILE A 862 10.419 -23.555 18.876 1.00 12.35 C ATOM 1146 CG2 ILE A 862 12.677 -24.525 19.505 1.00 31.05 C ATOM 1147 CD1 ILE A 862 9.892 -22.606 17.798 1.00 64.25 C ATOM 0 H ILE A 862 11.129 -23.693 21.618 1.00 1.12 H new ATOM 0 HA ILE A 862 12.993 -21.833 20.294 1.00 35.22 H new ATOM 0 HB ILE A 862 12.324 -22.796 18.320 1.00 62.43 H new ATOM 0 HG12 ILE A 862 10.325 -24.586 18.535 1.00 12.35 H new ATOM 0 HG13 ILE A 862 9.812 -23.461 19.777 1.00 12.35 H new ATOM 0 HG21 ILE A 862 12.583 -25.217 18.668 1.00 31.05 H new ATOM 0 HG22 ILE A 862 13.727 -24.272 19.651 1.00 31.05 H new ATOM 0 HG23 ILE A 862 12.288 -24.993 20.409 1.00 31.05 H new ATOM 0 HD11 ILE A 862 8.850 -22.843 17.582 1.00 64.25 H new ATOM 0 HD12 ILE A 862 9.964 -21.578 18.152 1.00 64.25 H new ATOM 0 HD13 ILE A 862 10.485 -22.720 16.891 1.00 64.25 H new ATOM 1159 N PHE A 863 11.522 -19.959 19.792 1.00 74.25 N ATOM 1160 CA PHE A 863 10.703 -18.768 19.640 1.00 22.13 C ATOM 1161 C PHE A 863 10.829 -18.192 18.229 1.00 41.14 C ATOM 1162 O PHE A 863 11.614 -18.686 17.420 1.00 11.23 O ATOM 1163 CB PHE A 863 11.221 -17.739 20.647 1.00 44.34 C ATOM 1164 CG PHE A 863 11.125 -18.191 22.105 1.00 24.21 C ATOM 1165 CD1 PHE A 863 9.912 -18.270 22.714 1.00 31.20 C ATOM 1166 CD2 PHE A 863 12.254 -18.514 22.792 1.00 35.44 C ATOM 1167 CE1 PHE A 863 9.823 -18.690 24.068 1.00 72.14 C ATOM 1168 CE2 PHE A 863 12.164 -18.934 24.146 1.00 24.30 C ATOM 1169 CZ PHE A 863 10.951 -19.013 24.755 1.00 31.20 C ATOM 0 H PHE A 863 12.497 -19.845 19.515 1.00 74.25 H new ATOM 0 HA PHE A 863 9.655 -19.013 19.810 1.00 22.13 H new ATOM 0 HB2 PHE A 863 12.262 -17.512 20.416 1.00 44.34 H new ATOM 0 HB3 PHE A 863 10.658 -16.813 20.527 1.00 44.34 H new ATOM 0 HD1 PHE A 863 9.016 -18.013 22.168 1.00 31.20 H new ATOM 0 HD2 PHE A 863 13.218 -18.451 22.308 1.00 35.44 H new ATOM 0 HE1 PHE A 863 8.859 -18.753 24.552 1.00 72.14 H new ATOM 0 HE2 PHE A 863 13.060 -19.191 24.692 1.00 24.30 H new ATOM 0 HZ PHE A 863 10.883 -19.332 25.784 1.00 31.20 H new ATOM 1179 N CYS A 864 10.044 -17.155 17.975 1.00 62.01 N ATOM 1180 CA CYS A 864 10.058 -16.506 16.675 1.00 70.32 C ATOM 1181 C CYS A 864 11.315 -15.638 16.584 1.00 33.43 C ATOM 1182 O CYS A 864 11.706 -15.003 17.562 1.00 41.30 O ATOM 1183 CB CYS A 864 8.784 -15.693 16.435 1.00 63.31 C ATOM 1184 SG CYS A 864 8.849 -14.133 17.389 1.00 50.23 S ATOM 0 H CYS A 864 9.394 -16.748 18.648 1.00 62.01 H new ATOM 0 HA CYS A 864 10.082 -17.261 15.889 1.00 70.32 H new ATOM 0 HB2 CYS A 864 8.677 -15.475 15.372 1.00 63.31 H new ATOM 0 HB3 CYS A 864 7.911 -16.274 16.731 1.00 63.31 H new ATOM 0 HG CYS A 864 10.026 -14.001 17.925 1.00 50.23 H new ATOM 1190 N ALA A 865 11.912 -15.640 15.402 1.00 41.42 N ATOM 1191 CA ALA A 865 13.116 -14.860 15.171 1.00 65.11 C ATOM 1192 C ALA A 865 12.732 -13.404 14.899 1.00 23.33 C ATOM 1193 O ALA A 865 13.579 -12.514 14.956 1.00 22.12 O ATOM 1194 CB ALA A 865 13.912 -15.478 14.019 1.00 14.00 C ATOM 0 H ALA A 865 11.585 -16.169 14.594 1.00 41.42 H new ATOM 0 HA ALA A 865 13.756 -14.873 16.053 1.00 65.11 H new ATOM 0 HB1 ALA A 865 14.815 -14.893 13.846 1.00 14.00 H new ATOM 0 HB2 ALA A 865 14.186 -16.502 14.274 1.00 14.00 H new ATOM 0 HB3 ALA A 865 13.302 -15.480 13.115 1.00 14.00 H new ATOM 1200 N ARG A 866 11.454 -13.207 14.610 1.00 65.11 N ATOM 1201 CA ARG A 866 10.948 -11.874 14.329 1.00 33.53 C ATOM 1202 C ARG A 866 11.304 -10.920 15.471 1.00 55.01 C ATOM 1203 O ARG A 866 12.006 -11.300 16.406 1.00 4.11 O ATOM 1204 CB ARG A 866 9.429 -11.891 14.142 1.00 44.21 C ATOM 1205 CG ARG A 866 9.030 -12.808 12.984 1.00 33.13 C ATOM 1206 CD ARG A 866 9.130 -12.076 11.645 1.00 42.23 C ATOM 1207 NE ARG A 866 8.355 -10.816 11.697 1.00 4.01 N ATOM 1208 CZ ARG A 866 8.380 -9.872 10.732 1.00 14.24 C ATOM 1209 NH1 ARG A 866 9.141 -10.038 9.630 1.00 4.33 N ATOM 1210 NH2 ARG A 866 7.647 -8.784 10.883 1.00 22.01 N ATOM 0 H ARG A 866 10.754 -13.948 14.564 1.00 65.11 H new ATOM 0 HA ARG A 866 11.413 -11.530 13.405 1.00 33.53 H new ATOM 0 HB2 ARG A 866 8.950 -12.229 15.061 1.00 44.21 H new ATOM 0 HB3 ARG A 866 9.071 -10.880 13.950 1.00 44.21 H new ATOM 0 HG2 ARG A 866 9.676 -13.686 12.972 1.00 33.13 H new ATOM 0 HG3 ARG A 866 8.011 -13.164 13.132 1.00 33.13 H new ATOM 0 HD2 ARG A 866 10.174 -11.861 11.416 1.00 42.23 H new ATOM 0 HD3 ARG A 866 8.752 -12.712 10.844 1.00 42.23 H new ATOM 0 HE ARG A 866 7.765 -10.651 12.513 1.00 4.01 H new ATOM 0 HH11 ARG A 866 9.703 -10.882 9.521 1.00 4.33 H new ATOM 0 HH12 ARG A 866 9.154 -9.320 8.906 1.00 4.33 H new ATOM 0 HH21 ARG A 866 7.074 -8.667 11.719 1.00 22.01 H new ATOM 0 HH22 ARG A 866 7.654 -8.061 10.164 1.00 22.01 H new ATOM 1223 N GLN A 867 10.802 -9.699 15.357 1.00 71.01 N ATOM 1224 CA GLN A 867 11.058 -8.687 16.368 1.00 61.31 C ATOM 1225 C GLN A 867 10.543 -9.156 17.730 1.00 12.23 C ATOM 1226 O GLN A 867 11.314 -9.281 18.680 1.00 2.32 O ATOM 1227 CB GLN A 867 10.430 -7.348 15.975 1.00 23.52 C ATOM 1228 CG GLN A 867 10.986 -6.853 14.639 1.00 65.13 C ATOM 1229 CD GLN A 867 10.755 -5.350 14.472 1.00 51.11 C ATOM 1230 OE1 GLN A 867 10.063 -4.712 15.248 1.00 34.43 O ATOM 1231 NE2 GLN A 867 11.371 -4.821 13.418 1.00 30.34 N ATOM 0 H GLN A 867 10.219 -9.388 14.580 1.00 71.01 H new ATOM 0 HA GLN A 867 12.135 -8.538 16.441 1.00 61.31 H new ATOM 0 HB2 GLN A 867 9.348 -7.457 15.905 1.00 23.52 H new ATOM 0 HB3 GLN A 867 10.626 -6.608 16.751 1.00 23.52 H new ATOM 0 HG2 GLN A 867 12.053 -7.069 14.583 1.00 65.13 H new ATOM 0 HG3 GLN A 867 10.508 -7.391 13.820 1.00 65.13 H new ATOM 0 HE21 GLN A 867 11.936 -5.412 12.808 1.00 30.34 H new ATOM 0 HE22 GLN A 867 11.278 -3.825 13.220 1.00 30.34 H new ATOM 1240 N ASN A 868 9.242 -9.402 17.782 1.00 21.44 N ATOM 1241 CA ASN A 868 8.615 -9.854 19.013 1.00 72.43 C ATOM 1242 C ASN A 868 9.459 -10.971 19.630 1.00 72.31 C ATOM 1243 O ASN A 868 9.895 -11.883 18.930 1.00 64.52 O ATOM 1244 CB ASN A 868 7.216 -10.412 18.745 1.00 74.22 C ATOM 1245 CG ASN A 868 6.325 -10.275 19.981 1.00 33.31 C ATOM 1246 OD1 ASN A 868 6.693 -10.636 21.087 1.00 61.33 O ATOM 1247 ND2 ASN A 868 5.135 -9.735 19.733 1.00 30.13 N ATOM 0 H ASN A 868 8.605 -9.297 16.992 1.00 21.44 H new ATOM 0 HA ASN A 868 8.540 -9.000 19.687 1.00 72.43 H new ATOM 0 HB2 ASN A 868 6.764 -9.883 17.906 1.00 74.22 H new ATOM 0 HB3 ASN A 868 7.288 -11.461 18.459 1.00 74.22 H new ATOM 0 HD21 ASN A 868 4.467 -9.601 20.492 1.00 30.13 H new ATOM 0 HD22 ASN A 868 4.890 -9.454 18.783 1.00 30.13 H new ATOM 1254 N CYS A 869 9.663 -10.863 20.934 1.00 2.25 N ATOM 1255 CA CYS A 869 10.447 -11.852 21.654 1.00 62.30 C ATOM 1256 C CYS A 869 9.496 -12.682 22.519 1.00 5.34 C ATOM 1257 O CYS A 869 9.828 -13.797 22.919 1.00 5.42 O ATOM 1258 CB CYS A 869 11.554 -11.201 22.485 1.00 24.23 C ATOM 1259 SG CYS A 869 12.933 -10.685 21.398 1.00 74.45 S ATOM 0 H CYS A 869 9.299 -10.105 21.511 1.00 2.25 H new ATOM 0 HA CYS A 869 10.954 -12.505 20.944 1.00 62.30 H new ATOM 0 HB2 CYS A 869 11.159 -10.337 23.019 1.00 24.23 H new ATOM 0 HB3 CYS A 869 11.916 -11.902 23.237 1.00 24.23 H new ATOM 0 HG CYS A 869 12.455 -10.135 20.322 1.00 74.45 H new ATOM 1265 N SER A 870 8.333 -12.106 22.783 1.00 11.32 N ATOM 1266 CA SER A 870 7.332 -12.778 23.594 1.00 52.21 C ATOM 1267 C SER A 870 6.390 -13.586 22.699 1.00 63.21 C ATOM 1268 O SER A 870 5.250 -13.854 23.073 1.00 14.13 O ATOM 1269 CB SER A 870 6.537 -11.774 24.431 1.00 34.22 C ATOM 1270 OG SER A 870 6.329 -10.546 23.738 1.00 24.41 O ATOM 0 H SER A 870 8.061 -11.181 22.450 1.00 11.32 H new ATOM 0 HA SER A 870 7.844 -13.455 24.277 1.00 52.21 H new ATOM 0 HB2 SER A 870 5.573 -12.207 24.698 1.00 34.22 H new ATOM 0 HB3 SER A 870 7.067 -11.579 25.363 1.00 34.22 H new ATOM 0 HG SER A 870 6.265 -10.720 22.776 1.00 24.41 H new ATOM 1276 N HIS A 871 6.903 -13.952 21.533 1.00 31.44 N ATOM 1277 CA HIS A 871 6.122 -14.725 20.582 1.00 42.21 C ATOM 1278 C HIS A 871 6.840 -16.042 20.278 1.00 14.45 C ATOM 1279 O HIS A 871 7.825 -16.061 19.542 1.00 11.34 O ATOM 1280 CB HIS A 871 5.832 -13.904 19.324 1.00 42.12 C ATOM 1281 CG HIS A 871 5.552 -14.739 18.097 1.00 45.42 C ATOM 1282 ND1 HIS A 871 5.102 -16.045 18.166 1.00 71.41 N ATOM 1283 CD2 HIS A 871 5.663 -14.439 16.771 1.00 41.12 C ATOM 1284 CE1 HIS A 871 4.952 -16.502 16.931 1.00 24.02 C ATOM 1285 NE2 HIS A 871 5.301 -15.505 16.068 1.00 23.11 N ATOM 0 H HIS A 871 7.849 -13.728 21.226 1.00 31.44 H new ATOM 0 HA HIS A 871 5.153 -14.972 21.017 1.00 42.21 H new ATOM 0 HB2 HIS A 871 4.975 -13.257 19.514 1.00 42.12 H new ATOM 0 HB3 HIS A 871 6.684 -13.254 19.122 1.00 42.12 H new ATOM 0 HD2 HIS A 871 5.990 -13.494 16.362 1.00 41.12 H new ATOM 0 HE1 HIS A 871 4.613 -17.490 16.656 1.00 24.02 H new ATOM 0 HE2 HIS A 871 5.286 -15.568 15.050 1.00 23.11 H new ATOM 1293 N ASP A 872 6.317 -17.111 20.861 1.00 5.22 N ATOM 1294 CA ASP A 872 6.896 -18.429 20.663 1.00 53.05 C ATOM 1295 C ASP A 872 6.053 -19.203 19.647 1.00 41.24 C ATOM 1296 O ASP A 872 4.864 -18.933 19.487 1.00 12.30 O ATOM 1297 CB ASP A 872 6.912 -19.226 21.968 1.00 14.14 C ATOM 1298 CG ASP A 872 5.597 -19.929 22.313 1.00 62.11 C ATOM 1299 OD1 ASP A 872 5.333 -21.050 21.854 1.00 62.32 O ATOM 1300 OD2 ASP A 872 4.816 -19.269 23.099 1.00 74.12 O ATOM 0 H ASP A 872 5.499 -17.091 21.470 1.00 5.22 H new ATOM 0 HA ASP A 872 7.918 -18.298 20.308 1.00 53.05 H new ATOM 0 HB2 ASP A 872 7.702 -19.975 21.909 1.00 14.14 H new ATOM 0 HB3 ASP A 872 7.171 -18.552 22.785 1.00 14.14 H new ATOM 1306 N TRP A 873 6.703 -20.150 18.986 1.00 53.10 N ATOM 1307 CA TRP A 873 6.028 -20.965 17.990 1.00 41.21 C ATOM 1308 C TRP A 873 5.669 -22.303 18.638 1.00 21.34 C ATOM 1309 O TRP A 873 4.512 -22.719 18.613 1.00 14.33 O ATOM 1310 CB TRP A 873 6.889 -21.120 16.735 1.00 72.54 C ATOM 1311 CG TRP A 873 6.956 -19.862 15.867 1.00 65.44 C ATOM 1312 CD1 TRP A 873 6.728 -18.594 16.233 1.00 55.11 C ATOM 1313 CD2 TRP A 873 7.286 -19.803 14.463 1.00 60.13 C ATOM 1314 NE1 TRP A 873 6.885 -17.725 15.172 1.00 14.14 N ATOM 1315 CE2 TRP A 873 7.235 -18.484 14.062 1.00 42.33 C ATOM 1316 CE3 TRP A 873 7.616 -20.831 13.562 1.00 44.55 C ATOM 1317 CZ2 TRP A 873 7.503 -18.070 12.751 1.00 11.24 C ATOM 1318 CZ3 TRP A 873 7.881 -20.400 12.256 1.00 61.43 C ATOM 1319 CH2 TRP A 873 7.834 -19.076 11.836 1.00 20.12 C ATOM 0 H TRP A 873 7.690 -20.371 19.121 1.00 53.10 H new ATOM 0 HA TRP A 873 5.109 -20.483 17.655 1.00 41.21 H new ATOM 0 HB2 TRP A 873 7.900 -21.398 17.033 1.00 72.54 H new ATOM 0 HB3 TRP A 873 6.496 -21.942 16.136 1.00 72.54 H new ATOM 0 HD1 TRP A 873 6.456 -18.290 17.233 1.00 55.11 H new ATOM 0 HE1 TRP A 873 6.766 -16.712 15.198 1.00 14.14 H new ATOM 0 HE3 TRP A 873 7.661 -21.870 13.854 1.00 44.55 H new ATOM 0 HZ2 TRP A 873 7.457 -17.030 12.462 1.00 11.24 H new ATOM 0 HZ3 TRP A 873 8.140 -21.150 11.523 1.00 61.43 H new ATOM 0 HH2 TRP A 873 8.052 -18.825 10.808 1.00 20.12 H new ATOM 1330 N GLY A 874 6.683 -22.941 19.204 1.00 63.30 N ATOM 1331 CA GLY A 874 6.489 -24.224 19.858 1.00 22.20 C ATOM 1332 C GLY A 874 7.656 -24.545 20.794 1.00 2.52 C ATOM 1333 O GLY A 874 8.128 -23.674 21.524 1.00 62.11 O ATOM 0 H GLY A 874 7.642 -22.593 19.223 1.00 63.30 H new ATOM 0 HA2 GLY A 874 5.558 -24.210 20.424 1.00 22.20 H new ATOM 0 HA3 GLY A 874 6.394 -25.008 19.107 1.00 22.20 H new ATOM 1337 N ILE A 875 8.088 -25.796 20.743 1.00 60.12 N ATOM 1338 CA ILE A 875 9.191 -26.242 21.577 1.00 32.12 C ATOM 1339 C ILE A 875 10.053 -27.231 20.790 1.00 41.34 C ATOM 1340 O ILE A 875 9.619 -27.762 19.769 1.00 71.40 O ATOM 1341 CB ILE A 875 8.668 -26.801 22.902 1.00 63.41 C ATOM 1342 CG1 ILE A 875 7.356 -27.560 22.697 1.00 73.51 C ATOM 1343 CG2 ILE A 875 8.533 -25.694 23.949 1.00 34.11 C ATOM 1344 CD1 ILE A 875 7.594 -28.877 21.954 1.00 53.53 C ATOM 0 H ILE A 875 7.694 -26.515 20.137 1.00 60.12 H new ATOM 0 HA ILE A 875 9.832 -25.401 21.842 1.00 32.12 H new ATOM 0 HB ILE A 875 9.397 -27.516 23.283 1.00 63.41 H new ATOM 0 HG12 ILE A 875 6.894 -27.762 23.663 1.00 73.51 H new ATOM 0 HG13 ILE A 875 6.658 -26.941 22.133 1.00 73.51 H new ATOM 0 HG21 ILE A 875 8.160 -26.118 24.881 1.00 34.11 H new ATOM 0 HG22 ILE A 875 9.507 -25.237 24.123 1.00 34.11 H new ATOM 0 HG23 ILE A 875 7.836 -24.937 23.590 1.00 34.11 H new ATOM 0 HD11 ILE A 875 6.645 -29.397 21.821 1.00 53.53 H new ATOM 0 HD12 ILE A 875 8.034 -28.670 20.978 1.00 53.53 H new ATOM 0 HD13 ILE A 875 8.273 -29.503 22.532 1.00 53.53 H new ATOM 1356 N HIS A 876 11.259 -27.447 21.294 1.00 60.12 N ATOM 1357 CA HIS A 876 12.186 -28.362 20.650 1.00 21.42 C ATOM 1358 C HIS A 876 12.237 -29.676 21.433 1.00 11.01 C ATOM 1359 O HIS A 876 12.627 -29.693 22.599 1.00 23.14 O ATOM 1360 CB HIS A 876 13.563 -27.716 20.487 1.00 10.42 C ATOM 1361 CG HIS A 876 14.370 -28.271 19.338 1.00 22.02 C ATOM 1362 ND1 HIS A 876 14.817 -27.488 18.288 1.00 1.23 N ATOM 1363 CD2 HIS A 876 14.807 -29.538 19.086 1.00 34.51 C ATOM 1364 CE1 HIS A 876 15.490 -28.260 17.448 1.00 50.34 C ATOM 1365 NE2 HIS A 876 15.482 -29.530 17.944 1.00 71.35 N ATOM 0 H HIS A 876 11.616 -27.004 22.141 1.00 60.12 H new ATOM 0 HA HIS A 876 11.835 -28.591 19.644 1.00 21.42 H new ATOM 0 HB2 HIS A 876 13.435 -26.643 20.343 1.00 10.42 H new ATOM 0 HB3 HIS A 876 14.127 -27.848 21.411 1.00 10.42 H new ATOM 0 HD2 HIS A 876 14.633 -30.402 19.711 1.00 34.51 H new ATOM 0 HE1 HIS A 876 15.962 -27.940 16.531 1.00 50.34 H new ATOM 0 HE2 HIS A 876 15.922 -30.340 17.509 1.00 71.35 H new ATOM 1373 N VAL A 877 11.837 -30.745 20.760 1.00 54.41 N ATOM 1374 CA VAL A 877 11.832 -32.060 21.378 1.00 55.33 C ATOM 1375 C VAL A 877 12.725 -33.002 20.569 1.00 44.13 C ATOM 1376 O VAL A 877 13.369 -32.581 19.608 1.00 14.05 O ATOM 1377 CB VAL A 877 10.395 -32.569 21.514 1.00 50.53 C ATOM 1378 CG1 VAL A 877 9.433 -31.419 21.819 1.00 52.20 C ATOM 1379 CG2 VAL A 877 9.961 -33.328 20.258 1.00 23.03 C ATOM 0 H VAL A 877 11.514 -30.727 19.793 1.00 54.41 H new ATOM 0 HA VAL A 877 12.242 -32.009 22.387 1.00 55.33 H new ATOM 0 HB VAL A 877 10.364 -33.264 22.353 1.00 50.53 H new ATOM 0 HG11 VAL A 877 8.419 -31.808 21.911 1.00 52.20 H new ATOM 0 HG12 VAL A 877 9.724 -30.940 22.754 1.00 52.20 H new ATOM 0 HG13 VAL A 877 9.470 -30.689 21.010 1.00 52.20 H new ATOM 0 HG21 VAL A 877 8.936 -33.679 20.381 1.00 23.03 H new ATOM 0 HG22 VAL A 877 10.016 -32.665 19.395 1.00 23.03 H new ATOM 0 HG23 VAL A 877 10.621 -34.182 20.103 1.00 23.03 H new ATOM 1389 N LYS A 878 12.737 -34.259 20.987 1.00 71.14 N ATOM 1390 CA LYS A 878 13.541 -35.264 20.313 1.00 61.41 C ATOM 1391 C LYS A 878 12.732 -36.556 20.184 1.00 74.25 C ATOM 1392 O LYS A 878 11.921 -36.875 21.052 1.00 4.14 O ATOM 1393 CB LYS A 878 14.881 -35.447 21.029 1.00 33.12 C ATOM 1394 CG LYS A 878 15.648 -36.642 20.460 1.00 44.12 C ATOM 1395 CD LYS A 878 17.077 -36.687 21.006 1.00 12.34 C ATOM 1396 CE LYS A 878 17.695 -38.073 20.812 1.00 50.31 C ATOM 1397 NZ LYS A 878 17.921 -38.342 19.374 1.00 5.03 N ATOM 0 H LYS A 878 12.203 -34.605 21.784 1.00 71.14 H new ATOM 0 HA LYS A 878 13.787 -34.939 19.302 1.00 61.41 H new ATOM 0 HB2 LYS A 878 15.480 -34.542 20.924 1.00 33.12 H new ATOM 0 HB3 LYS A 878 14.710 -35.594 22.095 1.00 33.12 H new ATOM 0 HG2 LYS A 878 15.129 -37.566 20.714 1.00 44.12 H new ATOM 0 HG3 LYS A 878 15.672 -36.578 19.372 1.00 44.12 H new ATOM 0 HD2 LYS A 878 17.687 -35.939 20.500 1.00 12.34 H new ATOM 0 HD3 LYS A 878 17.073 -36.432 22.066 1.00 12.34 H new ATOM 0 HE2 LYS A 878 18.639 -38.136 21.353 1.00 50.31 H new ATOM 0 HE3 LYS A 878 17.036 -38.834 21.231 1.00 50.31 H new ATOM 0 HZ1 LYS A 878 18.356 -39.280 19.260 1.00 5.03 H new ATOM 0 HZ2 LYS A 878 17.012 -38.319 18.869 1.00 5.03 H new ATOM 0 HZ3 LYS A 878 18.554 -37.617 18.980 1.00 5.03 H new ATOM 1410 N TYR A 879 12.979 -37.265 19.092 1.00 62.10 N ATOM 1411 CA TYR A 879 12.283 -38.515 18.838 1.00 64.23 C ATOM 1412 C TYR A 879 13.264 -39.613 18.420 1.00 74.12 C ATOM 1413 O TYR A 879 14.297 -39.330 17.816 1.00 62.53 O ATOM 1414 CB TYR A 879 11.325 -38.236 17.679 1.00 53.24 C ATOM 1415 CG TYR A 879 10.398 -39.405 17.342 1.00 35.53 C ATOM 1416 CD1 TYR A 879 9.990 -40.271 18.337 1.00 53.11 C ATOM 1417 CD2 TYR A 879 9.969 -39.595 16.044 1.00 31.21 C ATOM 1418 CE1 TYR A 879 9.117 -41.372 18.020 1.00 1.34 C ATOM 1419 CE2 TYR A 879 9.096 -40.696 15.728 1.00 63.05 C ATOM 1420 CZ TYR A 879 8.713 -41.530 16.731 1.00 5.03 C ATOM 1421 OH TYR A 879 7.889 -42.570 16.432 1.00 3.33 O ATOM 0 H TYR A 879 13.651 -36.998 18.373 1.00 62.10 H new ATOM 0 HA TYR A 879 11.766 -38.856 19.735 1.00 64.23 H new ATOM 0 HB2 TYR A 879 10.719 -37.364 17.924 1.00 53.24 H new ATOM 0 HB3 TYR A 879 11.907 -37.981 16.794 1.00 53.24 H new ATOM 0 HD1 TYR A 879 10.325 -40.123 19.353 1.00 53.11 H new ATOM 0 HD2 TYR A 879 10.288 -38.918 15.265 1.00 31.21 H new ATOM 0 HE1 TYR A 879 8.791 -42.057 18.789 1.00 1.34 H new ATOM 0 HE2 TYR A 879 8.753 -40.856 14.716 1.00 63.05 H new ATOM 0 HH TYR A 879 7.682 -42.558 15.474 1.00 3.33 H new ATOM 1431 N LYS A 880 12.905 -40.843 18.758 1.00 15.21 N ATOM 1432 CA LYS A 880 13.740 -41.985 18.426 1.00 55.55 C ATOM 1433 C LYS A 880 14.273 -41.823 17.001 1.00 44.32 C ATOM 1434 O LYS A 880 15.360 -42.303 16.683 1.00 61.40 O ATOM 1435 CB LYS A 880 12.976 -43.291 18.651 1.00 14.23 C ATOM 1436 CG LYS A 880 12.616 -43.467 20.128 1.00 73.21 C ATOM 1437 CD LYS A 880 13.845 -43.864 20.948 1.00 33.32 C ATOM 1438 CE LYS A 880 13.663 -43.495 22.422 1.00 40.12 C ATOM 1439 NZ LYS A 880 13.965 -42.062 22.638 1.00 62.31 N ATOM 0 H LYS A 880 12.047 -41.074 19.259 1.00 15.21 H new ATOM 0 HA LYS A 880 14.605 -42.030 19.088 1.00 55.55 H new ATOM 0 HB2 LYS A 880 12.068 -43.294 18.049 1.00 14.23 H new ATOM 0 HB3 LYS A 880 13.582 -44.133 18.318 1.00 14.23 H new ATOM 0 HG2 LYS A 880 12.199 -42.538 20.518 1.00 73.21 H new ATOM 0 HG3 LYS A 880 11.844 -44.230 20.230 1.00 73.21 H new ATOM 0 HD2 LYS A 880 14.017 -44.936 20.856 1.00 33.32 H new ATOM 0 HD3 LYS A 880 14.729 -43.365 20.551 1.00 33.32 H new ATOM 0 HE2 LYS A 880 12.640 -43.708 22.733 1.00 40.12 H new ATOM 0 HE3 LYS A 880 14.319 -44.108 23.040 1.00 40.12 H new ATOM 0 HZ1 LYS A 880 13.837 -41.828 23.643 1.00 62.31 H new ATOM 0 HZ2 LYS A 880 14.948 -41.869 22.360 1.00 62.31 H new ATOM 0 HZ3 LYS A 880 13.322 -41.481 22.063 1.00 62.31 H new ATOM 1452 N THR A 881 13.484 -41.144 16.181 1.00 44.00 N ATOM 1453 CA THR A 881 13.864 -40.913 14.798 1.00 41.34 C ATOM 1454 C THR A 881 14.949 -39.837 14.715 1.00 55.20 C ATOM 1455 O THR A 881 16.117 -40.144 14.485 1.00 60.42 O ATOM 1456 CB THR A 881 12.599 -40.562 14.012 1.00 12.34 C ATOM 1457 OG1 THR A 881 11.870 -41.785 13.963 1.00 64.43 O ATOM 1458 CG2 THR A 881 12.890 -40.242 12.545 1.00 42.22 C ATOM 0 H THR A 881 12.583 -40.747 16.448 1.00 44.00 H new ATOM 0 HA THR A 881 14.302 -41.807 14.354 1.00 41.34 H new ATOM 0 HB THR A 881 12.108 -39.708 14.478 1.00 12.34 H new ATOM 0 HG1 THR A 881 11.023 -41.681 14.445 1.00 64.43 H new ATOM 0 HG21 THR A 881 11.958 -40.000 12.034 1.00 42.22 H new ATOM 0 HG22 THR A 881 13.568 -39.391 12.486 1.00 42.22 H new ATOM 0 HG23 THR A 881 13.351 -41.107 12.068 1.00 42.22 H new ATOM 1466 N PHE A 882 14.523 -38.597 14.907 1.00 11.14 N ATOM 1467 CA PHE A 882 15.443 -37.474 14.858 1.00 41.54 C ATOM 1468 C PHE A 882 14.999 -36.358 15.806 1.00 32.33 C ATOM 1469 O PHE A 882 13.922 -36.432 16.396 1.00 72.32 O ATOM 1470 CB PHE A 882 15.425 -36.944 13.423 1.00 55.55 C ATOM 1471 CG PHE A 882 16.310 -37.733 12.456 1.00 1.12 C ATOM 1472 CD1 PHE A 882 17.599 -38.011 12.788 1.00 22.11 C ATOM 1473 CD2 PHE A 882 15.808 -38.156 11.265 1.00 31.43 C ATOM 1474 CE1 PHE A 882 18.421 -38.744 11.891 1.00 0.13 C ATOM 1475 CE2 PHE A 882 16.630 -38.889 10.369 1.00 73.15 C ATOM 1476 CZ PHE A 882 17.919 -39.167 10.700 1.00 32.44 C ATOM 0 H PHE A 882 13.553 -38.346 15.097 1.00 11.14 H new ATOM 0 HA PHE A 882 16.439 -37.796 15.161 1.00 41.54 H new ATOM 0 HB2 PHE A 882 14.399 -36.958 13.054 1.00 55.55 H new ATOM 0 HB3 PHE A 882 15.748 -35.903 13.427 1.00 55.55 H new ATOM 0 HD1 PHE A 882 17.998 -37.675 13.734 1.00 22.11 H new ATOM 0 HD2 PHE A 882 14.785 -37.934 11.001 1.00 31.43 H new ATOM 0 HE1 PHE A 882 19.445 -38.965 12.155 1.00 0.13 H new ATOM 0 HE2 PHE A 882 16.231 -39.226 9.424 1.00 73.15 H new ATOM 0 HZ PHE A 882 18.544 -39.724 10.017 1.00 32.44 H new ATOM 1486 N GLU A 883 15.851 -35.351 15.924 1.00 2.21 N ATOM 1487 CA GLU A 883 15.560 -34.222 16.791 1.00 10.32 C ATOM 1488 C GLU A 883 15.053 -33.036 15.967 1.00 64.40 C ATOM 1489 O GLU A 883 15.777 -32.507 15.124 1.00 33.34 O ATOM 1490 CB GLU A 883 16.789 -33.832 17.615 1.00 51.44 C ATOM 1491 CG GLU A 883 17.880 -33.235 16.723 1.00 54.31 C ATOM 1492 CD GLU A 883 19.262 -33.413 17.354 1.00 40.40 C ATOM 1493 OE1 GLU A 883 19.722 -34.551 17.528 1.00 43.21 O ATOM 1494 OE2 GLU A 883 19.864 -32.315 17.667 1.00 71.32 O ATOM 0 H GLU A 883 16.743 -35.293 15.434 1.00 2.21 H new ATOM 0 HA GLU A 883 14.775 -34.517 17.488 1.00 10.32 H new ATOM 0 HB2 GLU A 883 16.504 -33.110 18.380 1.00 51.44 H new ATOM 0 HB3 GLU A 883 17.177 -34.709 18.133 1.00 51.44 H new ATOM 0 HG2 GLU A 883 17.858 -33.715 15.745 1.00 54.31 H new ATOM 0 HG3 GLU A 883 17.684 -32.175 16.562 1.00 54.31 H new ATOM 1502 N ILE A 884 13.814 -32.654 16.239 1.00 63.11 N ATOM 1503 CA ILE A 884 13.203 -31.541 15.533 1.00 34.11 C ATOM 1504 C ILE A 884 12.102 -30.933 16.405 1.00 44.40 C ATOM 1505 O ILE A 884 11.567 -31.599 17.290 1.00 51.44 O ATOM 1506 CB ILE A 884 12.718 -31.984 14.151 1.00 34.53 C ATOM 1507 CG1 ILE A 884 12.287 -33.453 14.166 1.00 4.34 C ATOM 1508 CG2 ILE A 884 13.778 -31.709 13.084 1.00 41.25 C ATOM 1509 CD1 ILE A 884 11.028 -33.646 15.013 1.00 31.41 C ATOM 0 H ILE A 884 13.217 -33.095 16.938 1.00 63.11 H new ATOM 0 HA ILE A 884 13.937 -30.756 15.351 1.00 34.11 H new ATOM 0 HB ILE A 884 11.840 -31.393 13.892 1.00 34.53 H new ATOM 0 HG12 ILE A 884 12.099 -33.791 13.147 1.00 4.34 H new ATOM 0 HG13 ILE A 884 13.094 -34.069 14.563 1.00 4.34 H new ATOM 0 HG21 ILE A 884 13.408 -32.033 12.111 1.00 41.25 H new ATOM 0 HG22 ILE A 884 13.994 -30.641 13.053 1.00 41.25 H new ATOM 0 HG23 ILE A 884 14.689 -32.256 13.326 1.00 41.25 H new ATOM 0 HD11 ILE A 884 10.743 -34.698 15.007 1.00 31.41 H new ATOM 0 HD12 ILE A 884 11.226 -33.330 16.037 1.00 31.41 H new ATOM 0 HD13 ILE A 884 10.216 -33.048 14.599 1.00 31.41 H new ATOM 1521 N PRO A 885 11.790 -29.641 16.117 1.00 13.34 N ATOM 1522 CA PRO A 885 10.763 -28.935 16.865 1.00 10.10 C ATOM 1523 C PRO A 885 9.366 -29.401 16.452 1.00 35.41 C ATOM 1524 O PRO A 885 9.078 -29.537 15.264 1.00 43.23 O ATOM 1525 CB PRO A 885 11.007 -27.463 16.576 1.00 45.12 C ATOM 1526 CG PRO A 885 11.861 -27.421 15.319 1.00 60.33 C ATOM 1527 CD PRO A 885 12.403 -28.821 15.077 1.00 51.43 C ATOM 0 HA PRO A 885 10.814 -29.131 17.936 1.00 10.10 H new ATOM 0 HB2 PRO A 885 10.066 -26.933 16.427 1.00 45.12 H new ATOM 0 HB3 PRO A 885 11.516 -26.980 17.410 1.00 45.12 H new ATOM 0 HG2 PRO A 885 11.269 -27.088 14.466 1.00 60.33 H new ATOM 0 HG3 PRO A 885 12.679 -26.710 15.437 1.00 60.33 H new ATOM 0 HD2 PRO A 885 12.140 -29.181 14.082 1.00 51.43 H new ATOM 0 HD3 PRO A 885 13.491 -28.842 15.146 1.00 51.43 H new ATOM 1535 N VAL A 886 8.533 -29.634 17.456 1.00 24.35 N ATOM 1536 CA VAL A 886 7.173 -30.083 17.213 1.00 51.43 C ATOM 1537 C VAL A 886 6.198 -28.959 17.572 1.00 63.13 C ATOM 1538 O VAL A 886 6.405 -28.242 18.549 1.00 3.32 O ATOM 1539 CB VAL A 886 6.903 -31.377 17.982 1.00 33.12 C ATOM 1540 CG1 VAL A 886 7.670 -31.398 19.306 1.00 74.31 C ATOM 1541 CG2 VAL A 886 5.403 -31.574 18.214 1.00 62.32 C ATOM 0 H VAL A 886 8.774 -29.520 18.440 1.00 24.35 H new ATOM 0 HA VAL A 886 7.030 -30.313 16.157 1.00 51.43 H new ATOM 0 HB VAL A 886 7.260 -32.209 17.375 1.00 33.12 H new ATOM 0 HG11 VAL A 886 7.460 -32.329 19.833 1.00 74.31 H new ATOM 0 HG12 VAL A 886 8.739 -31.326 19.108 1.00 74.31 H new ATOM 0 HG13 VAL A 886 7.357 -30.554 19.921 1.00 74.31 H new ATOM 0 HG21 VAL A 886 5.238 -32.501 18.763 1.00 62.32 H new ATOM 0 HG22 VAL A 886 5.011 -30.736 18.791 1.00 62.32 H new ATOM 0 HG23 VAL A 886 4.890 -31.625 17.254 1.00 62.32 H new ATOM 1551 N ILE A 887 5.157 -28.841 16.762 1.00 74.45 N ATOM 1552 CA ILE A 887 4.149 -27.817 16.982 1.00 64.45 C ATOM 1553 C ILE A 887 2.770 -28.474 17.064 1.00 60.34 C ATOM 1554 O ILE A 887 2.650 -29.692 16.942 1.00 24.41 O ATOM 1555 CB ILE A 887 4.249 -26.729 15.911 1.00 5.21 C ATOM 1556 CG1 ILE A 887 5.696 -26.547 15.447 1.00 21.31 C ATOM 1557 CG2 ILE A 887 3.637 -25.417 16.405 1.00 51.53 C ATOM 1558 CD1 ILE A 887 5.785 -25.516 14.321 1.00 44.42 C ATOM 0 H ILE A 887 4.989 -29.437 15.952 1.00 74.45 H new ATOM 0 HA ILE A 887 4.319 -27.313 17.933 1.00 64.45 H new ATOM 0 HB ILE A 887 3.671 -27.049 15.044 1.00 5.21 H new ATOM 0 HG12 ILE A 887 6.313 -26.228 16.287 1.00 21.31 H new ATOM 0 HG13 ILE A 887 6.094 -27.502 15.103 1.00 21.31 H new ATOM 0 HG21 ILE A 887 3.721 -24.660 15.625 1.00 51.53 H new ATOM 0 HG22 ILE A 887 2.586 -25.574 16.647 1.00 51.53 H new ATOM 0 HG23 ILE A 887 4.168 -25.081 17.296 1.00 51.53 H new ATOM 0 HD11 ILE A 887 6.824 -25.406 14.010 1.00 44.42 H new ATOM 0 HD12 ILE A 887 5.186 -25.850 13.474 1.00 44.42 H new ATOM 0 HD13 ILE A 887 5.409 -24.556 14.676 1.00 44.42 H new ATOM 1570 N LYS A 888 1.763 -27.638 17.269 1.00 21.14 N ATOM 1571 CA LYS A 888 0.397 -28.122 17.369 1.00 33.32 C ATOM 1572 C LYS A 888 -0.307 -27.931 16.024 1.00 21.31 C ATOM 1573 O LYS A 888 0.311 -27.500 15.052 1.00 51.20 O ATOM 1574 CB LYS A 888 -0.325 -27.453 18.541 1.00 25.30 C ATOM 1575 CG LYS A 888 0.172 -28.006 19.878 1.00 25.23 C ATOM 1576 CD LYS A 888 -0.549 -27.337 21.050 1.00 21.32 C ATOM 1577 CE LYS A 888 -0.247 -25.838 21.096 1.00 73.01 C ATOM 1578 NZ LYS A 888 -0.631 -25.272 22.409 1.00 63.04 N ATOM 0 H LYS A 888 1.866 -26.628 17.369 1.00 21.14 H new ATOM 0 HA LYS A 888 0.387 -29.190 17.586 1.00 33.32 H new ATOM 0 HB2 LYS A 888 -0.162 -26.376 18.506 1.00 25.30 H new ATOM 0 HB3 LYS A 888 -1.399 -27.616 18.452 1.00 25.30 H new ATOM 0 HG2 LYS A 888 0.009 -29.083 19.913 1.00 25.23 H new ATOM 0 HG3 LYS A 888 1.246 -27.843 19.966 1.00 25.23 H new ATOM 0 HD2 LYS A 888 -1.624 -27.492 20.957 1.00 21.32 H new ATOM 0 HD3 LYS A 888 -0.240 -27.803 21.986 1.00 21.32 H new ATOM 0 HE2 LYS A 888 0.815 -25.669 20.917 1.00 73.01 H new ATOM 0 HE3 LYS A 888 -0.789 -25.327 20.300 1.00 73.01 H new ATOM 0 HZ1 LYS A 888 -0.419 -24.254 22.423 1.00 63.04 H new ATOM 0 HZ2 LYS A 888 -1.649 -25.416 22.565 1.00 63.04 H new ATOM 0 HZ3 LYS A 888 -0.095 -25.748 23.162 1.00 63.04 H new ATOM 1591 N ILE A 889 -1.590 -28.262 16.011 1.00 21.04 N ATOM 1592 CA ILE A 889 -2.384 -28.132 14.802 1.00 72.34 C ATOM 1593 C ILE A 889 -3.017 -26.740 14.759 1.00 44.22 C ATOM 1594 O ILE A 889 -3.157 -26.150 13.688 1.00 25.33 O ATOM 1595 CB ILE A 889 -3.400 -29.272 14.703 1.00 61.32 C ATOM 1596 CG1 ILE A 889 -4.300 -29.100 13.477 1.00 22.14 C ATOM 1597 CG2 ILE A 889 -4.209 -29.399 15.995 1.00 32.11 C ATOM 1598 CD1 ILE A 889 -3.467 -28.894 12.210 1.00 13.04 C ATOM 0 H ILE A 889 -2.099 -28.620 16.819 1.00 21.04 H new ATOM 0 HA ILE A 889 -1.751 -28.222 13.920 1.00 72.34 H new ATOM 0 HB ILE A 889 -2.854 -30.206 14.572 1.00 61.32 H new ATOM 0 HG12 ILE A 889 -4.934 -29.979 13.361 1.00 22.14 H new ATOM 0 HG13 ILE A 889 -4.962 -28.247 13.624 1.00 22.14 H new ATOM 0 HG21 ILE A 889 -4.924 -30.216 15.898 1.00 32.11 H new ATOM 0 HG22 ILE A 889 -3.536 -29.603 16.827 1.00 32.11 H new ATOM 0 HG23 ILE A 889 -4.745 -28.469 16.181 1.00 32.11 H new ATOM 0 HD11 ILE A 889 -4.131 -28.774 11.354 1.00 13.04 H new ATOM 0 HD12 ILE A 889 -2.852 -28.001 12.320 1.00 13.04 H new ATOM 0 HD13 ILE A 889 -2.824 -29.760 12.053 1.00 13.04 H new ATOM 1610 N GLU A 890 -3.382 -26.254 15.936 1.00 22.22 N ATOM 1611 CA GLU A 890 -3.996 -24.942 16.047 1.00 70.03 C ATOM 1612 C GLU A 890 -2.954 -23.901 16.461 1.00 62.32 C ATOM 1613 O GLU A 890 -3.304 -22.800 16.882 1.00 34.13 O ATOM 1614 CB GLU A 890 -5.168 -24.966 17.030 1.00 24.13 C ATOM 1615 CG GLU A 890 -4.677 -25.195 18.461 1.00 34.15 C ATOM 1616 CD GLU A 890 -4.362 -23.867 19.152 1.00 15.24 C ATOM 1617 OE1 GLU A 890 -5.154 -22.917 19.060 1.00 34.02 O ATOM 1618 OE2 GLU A 890 -3.250 -23.842 19.805 1.00 42.24 O ATOM 0 H GLU A 890 -3.264 -26.746 16.822 1.00 22.22 H new ATOM 0 HA GLU A 890 -4.390 -24.664 15.070 1.00 70.03 H new ATOM 0 HB2 GLU A 890 -5.713 -24.024 16.975 1.00 24.13 H new ATOM 0 HB3 GLU A 890 -5.866 -25.755 16.750 1.00 24.13 H new ATOM 0 HG2 GLU A 890 -5.437 -25.733 19.028 1.00 34.15 H new ATOM 0 HG3 GLU A 890 -3.786 -25.822 18.447 1.00 34.15 H new ATOM 1626 N SER A 891 -1.693 -24.287 16.326 1.00 13.23 N ATOM 1627 CA SER A 891 -0.598 -23.401 16.681 1.00 2.32 C ATOM 1628 C SER A 891 -0.419 -22.331 15.602 1.00 14.10 C ATOM 1629 O SER A 891 -0.124 -21.177 15.909 1.00 32.05 O ATOM 1630 CB SER A 891 0.703 -24.183 16.873 1.00 10.13 C ATOM 1631 OG SER A 891 1.852 -23.358 16.701 1.00 23.12 O ATOM 0 H SER A 891 -1.406 -25.201 15.976 1.00 13.23 H new ATOM 0 HA SER A 891 -0.843 -22.917 17.627 1.00 2.32 H new ATOM 0 HB2 SER A 891 0.718 -24.622 17.870 1.00 10.13 H new ATOM 0 HB3 SER A 891 0.739 -25.008 16.161 1.00 10.13 H new ATOM 0 HG SER A 891 2.291 -23.225 17.567 1.00 23.12 H new ATOM 1637 N PHE A 892 -0.606 -22.752 14.360 1.00 72.12 N ATOM 1638 CA PHE A 892 -0.470 -21.845 13.233 1.00 4.53 C ATOM 1639 C PHE A 892 -1.671 -21.954 12.292 1.00 63.51 C ATOM 1640 O PHE A 892 -2.431 -22.919 12.360 1.00 12.21 O ATOM 1641 CB PHE A 892 0.795 -22.257 12.478 1.00 41.14 C ATOM 1642 CG PHE A 892 0.955 -23.769 12.311 1.00 24.54 C ATOM 1643 CD1 PHE A 892 0.039 -24.476 11.597 1.00 14.11 C ATOM 1644 CD2 PHE A 892 2.014 -24.407 12.878 1.00 64.41 C ATOM 1645 CE1 PHE A 892 0.187 -25.880 11.443 1.00 43.41 C ATOM 1646 CE2 PHE A 892 2.163 -25.811 12.724 1.00 60.22 C ATOM 1647 CZ PHE A 892 1.246 -26.518 12.009 1.00 3.35 C ATOM 0 H PHE A 892 -0.851 -23.710 14.109 1.00 72.12 H new ATOM 0 HA PHE A 892 -0.415 -20.816 13.588 1.00 4.53 H new ATOM 0 HB2 PHE A 892 0.785 -21.792 11.492 1.00 41.14 H new ATOM 0 HB3 PHE A 892 1.665 -21.866 13.006 1.00 41.14 H new ATOM 0 HD1 PHE A 892 -0.802 -23.969 11.147 1.00 14.11 H new ATOM 0 HD2 PHE A 892 2.742 -23.846 13.445 1.00 64.41 H new ATOM 0 HE1 PHE A 892 -0.542 -26.441 10.876 1.00 43.41 H new ATOM 0 HE2 PHE A 892 3.004 -26.317 13.174 1.00 60.22 H new ATOM 0 HZ PHE A 892 1.359 -27.586 11.891 1.00 3.35 H new ATOM 1657 N VAL A 893 -1.804 -20.953 11.435 1.00 42.02 N ATOM 1658 CA VAL A 893 -2.899 -20.925 10.481 1.00 54.03 C ATOM 1659 C VAL A 893 -2.426 -21.511 9.149 1.00 24.13 C ATOM 1660 O VAL A 893 -1.231 -21.732 8.954 1.00 34.11 O ATOM 1661 CB VAL A 893 -3.441 -19.500 10.348 1.00 73.33 C ATOM 1662 CG1 VAL A 893 -3.427 -18.780 11.697 1.00 4.04 C ATOM 1663 CG2 VAL A 893 -2.658 -18.712 9.297 1.00 44.34 C ATOM 0 H VAL A 893 -1.171 -20.155 11.381 1.00 42.02 H new ATOM 0 HA VAL A 893 -3.726 -21.542 10.832 1.00 54.03 H new ATOM 0 HB VAL A 893 -4.477 -19.565 10.015 1.00 73.33 H new ATOM 0 HG11 VAL A 893 -3.817 -17.770 11.574 1.00 4.04 H new ATOM 0 HG12 VAL A 893 -4.049 -19.325 12.407 1.00 4.04 H new ATOM 0 HG13 VAL A 893 -2.405 -18.731 12.073 1.00 4.04 H new ATOM 0 HG21 VAL A 893 -3.063 -17.703 9.222 1.00 44.34 H new ATOM 0 HG22 VAL A 893 -1.609 -18.661 9.588 1.00 44.34 H new ATOM 0 HG23 VAL A 893 -2.743 -19.210 8.331 1.00 44.34 H new ATOM 1673 N VAL A 894 -3.386 -21.746 8.268 1.00 72.34 N ATOM 1674 CA VAL A 894 -3.082 -22.302 6.960 1.00 32.51 C ATOM 1675 C VAL A 894 -3.678 -21.402 5.876 1.00 3.53 C ATOM 1676 O VAL A 894 -4.890 -21.393 5.668 1.00 30.12 O ATOM 1677 CB VAL A 894 -3.580 -23.747 6.877 1.00 13.21 C ATOM 1678 CG1 VAL A 894 -2.653 -24.597 6.006 1.00 34.22 C ATOM 1679 CG2 VAL A 894 -3.733 -24.355 8.273 1.00 65.24 C ATOM 0 H VAL A 894 -4.375 -21.562 8.434 1.00 72.34 H new ATOM 0 HA VAL A 894 -2.004 -22.333 6.800 1.00 32.51 H new ATOM 0 HB VAL A 894 -4.563 -23.737 6.407 1.00 13.21 H new ATOM 0 HG11 VAL A 894 -3.029 -25.619 5.964 1.00 34.22 H new ATOM 0 HG12 VAL A 894 -2.618 -24.181 4.999 1.00 34.22 H new ATOM 0 HG13 VAL A 894 -1.651 -24.597 6.434 1.00 34.22 H new ATOM 0 HG21 VAL A 894 -4.088 -25.382 8.186 1.00 65.24 H new ATOM 0 HG22 VAL A 894 -2.769 -24.346 8.781 1.00 65.24 H new ATOM 0 HG23 VAL A 894 -4.451 -23.770 8.848 1.00 65.24 H new ATOM 1689 N GLU A 895 -2.798 -20.665 5.215 1.00 45.14 N ATOM 1690 CA GLU A 895 -3.221 -19.762 4.157 1.00 31.44 C ATOM 1691 C GLU A 895 -2.758 -20.285 2.796 1.00 3.11 C ATOM 1692 O GLU A 895 -1.560 -20.429 2.557 1.00 4.35 O ATOM 1693 CB GLU A 895 -2.702 -18.345 4.406 1.00 13.21 C ATOM 1694 CG GLU A 895 -3.485 -17.322 3.580 1.00 2.23 C ATOM 1695 CD GLU A 895 -3.447 -15.941 4.239 1.00 64.14 C ATOM 1696 OE1 GLU A 895 -2.357 -15.406 4.494 1.00 35.11 O ATOM 1697 OE2 GLU A 895 -4.602 -15.422 4.484 1.00 23.15 O ATOM 0 H GLU A 895 -1.793 -20.674 5.391 1.00 45.14 H new ATOM 0 HA GLU A 895 -4.310 -19.719 4.156 1.00 31.44 H new ATOM 0 HB2 GLU A 895 -2.787 -18.104 5.466 1.00 13.21 H new ATOM 0 HB3 GLU A 895 -1.644 -18.291 4.150 1.00 13.21 H new ATOM 0 HG2 GLU A 895 -3.065 -17.262 2.576 1.00 2.23 H new ATOM 0 HG3 GLU A 895 -4.519 -17.650 3.474 1.00 2.23 H new ATOM 1705 N ASP A 896 -3.731 -20.555 1.939 1.00 53.11 N ATOM 1706 CA ASP A 896 -3.438 -21.058 0.608 1.00 72.32 C ATOM 1707 C ASP A 896 -2.792 -19.947 -0.222 1.00 71.22 C ATOM 1708 O ASP A 896 -3.161 -18.780 -0.098 1.00 21.31 O ATOM 1709 CB ASP A 896 -4.716 -21.501 -0.108 1.00 12.54 C ATOM 1710 CG ASP A 896 -4.907 -23.015 -0.214 1.00 2.11 C ATOM 1711 OD1 ASP A 896 -5.998 -23.499 -0.550 1.00 64.22 O ATOM 1712 OD2 ASP A 896 -3.862 -23.717 0.069 1.00 33.04 O ATOM 0 H ASP A 896 -4.724 -20.435 2.140 1.00 53.11 H new ATOM 0 HA ASP A 896 -2.768 -21.912 0.711 1.00 72.32 H new ATOM 0 HB2 ASP A 896 -5.573 -21.078 0.416 1.00 12.54 H new ATOM 0 HB3 ASP A 896 -4.716 -21.079 -1.113 1.00 12.54 H new ATOM 1718 N ILE A 897 -1.839 -20.349 -1.050 1.00 53.15 N ATOM 1719 CA ILE A 897 -1.138 -19.402 -1.901 1.00 14.32 C ATOM 1720 C ILE A 897 -1.911 -19.230 -3.210 1.00 41.12 C ATOM 1721 O ILE A 897 -1.563 -18.385 -4.034 1.00 32.20 O ATOM 1722 CB ILE A 897 0.317 -19.832 -2.097 1.00 35.40 C ATOM 1723 CG1 ILE A 897 0.835 -20.588 -0.871 1.00 52.53 C ATOM 1724 CG2 ILE A 897 1.201 -18.634 -2.448 1.00 15.11 C ATOM 1725 CD1 ILE A 897 0.948 -22.086 -1.158 1.00 34.20 C ATOM 0 H ILE A 897 -1.536 -21.318 -1.150 1.00 53.15 H new ATOM 0 HA ILE A 897 -1.094 -18.422 -1.425 1.00 14.32 H new ATOM 0 HB ILE A 897 0.359 -20.520 -2.941 1.00 35.40 H new ATOM 0 HG12 ILE A 897 1.810 -20.195 -0.582 1.00 52.53 H new ATOM 0 HG13 ILE A 897 0.163 -20.425 -0.028 1.00 52.53 H new ATOM 0 HG21 ILE A 897 2.230 -18.968 -2.582 1.00 15.11 H new ATOM 0 HG22 ILE A 897 0.845 -18.177 -3.371 1.00 15.11 H new ATOM 0 HG23 ILE A 897 1.159 -17.902 -1.641 1.00 15.11 H new ATOM 0 HD11 ILE A 897 1.318 -22.600 -0.271 1.00 34.20 H new ATOM 0 HD12 ILE A 897 -0.033 -22.481 -1.423 1.00 34.20 H new ATOM 0 HD13 ILE A 897 1.639 -22.247 -1.985 1.00 34.20 H new ATOM 1737 N ALA A 898 -2.945 -20.045 -3.362 1.00 4.34 N ATOM 1738 CA ALA A 898 -3.769 -19.994 -4.557 1.00 12.41 C ATOM 1739 C ALA A 898 -5.072 -19.257 -4.241 1.00 53.41 C ATOM 1740 O ALA A 898 -5.812 -18.879 -5.149 1.00 21.43 O ATOM 1741 CB ALA A 898 -4.012 -21.414 -5.071 1.00 34.14 C ATOM 0 H ALA A 898 -3.231 -20.744 -2.677 1.00 4.34 H new ATOM 0 HA ALA A 898 -3.262 -19.443 -5.350 1.00 12.41 H new ATOM 0 HB1 ALA A 898 -4.630 -21.375 -5.968 1.00 34.14 H new ATOM 0 HB2 ALA A 898 -3.057 -21.883 -5.308 1.00 34.14 H new ATOM 0 HB3 ALA A 898 -4.522 -21.996 -4.304 1.00 34.14 H new ATOM 1747 N THR A 899 -5.314 -19.074 -2.951 1.00 44.53 N ATOM 1748 CA THR A 899 -6.515 -18.388 -2.504 1.00 65.45 C ATOM 1749 C THR A 899 -6.158 -17.278 -1.514 1.00 61.21 C ATOM 1750 O THR A 899 -6.631 -16.150 -1.644 1.00 65.01 O ATOM 1751 CB THR A 899 -7.469 -19.435 -1.926 1.00 25.31 C ATOM 1752 OG1 THR A 899 -6.936 -19.713 -0.634 1.00 35.34 O ATOM 1753 CG2 THR A 899 -7.383 -20.775 -2.660 1.00 42.02 C ATOM 0 H THR A 899 -4.699 -19.389 -2.201 1.00 44.53 H new ATOM 0 HA THR A 899 -7.019 -17.891 -3.333 1.00 65.45 H new ATOM 0 HB THR A 899 -8.491 -19.060 -1.974 1.00 25.31 H new ATOM 0 HG1 THR A 899 -7.495 -20.382 -0.187 1.00 35.34 H new ATOM 0 HG21 THR A 899 -8.080 -21.482 -2.210 1.00 42.02 H new ATOM 0 HG22 THR A 899 -7.639 -20.632 -3.710 1.00 42.02 H new ATOM 0 HG23 THR A 899 -6.369 -21.167 -2.584 1.00 42.02 H new ATOM 1761 N GLY A 900 -5.327 -17.637 -0.547 1.00 1.35 N ATOM 1762 CA GLY A 900 -4.901 -16.685 0.465 1.00 13.25 C ATOM 1763 C GLY A 900 -5.842 -16.710 1.672 1.00 21.00 C ATOM 1764 O GLY A 900 -5.860 -15.773 2.469 1.00 20.42 O ATOM 0 H GLY A 900 -4.937 -18.574 -0.443 1.00 1.35 H new ATOM 0 HA2 GLY A 900 -3.886 -16.920 0.786 1.00 13.25 H new ATOM 0 HA3 GLY A 900 -4.877 -15.682 0.039 1.00 13.25 H new ATOM 1768 N VAL A 901 -6.601 -17.792 1.768 1.00 5.01 N ATOM 1769 CA VAL A 901 -7.541 -17.951 2.864 1.00 73.51 C ATOM 1770 C VAL A 901 -6.831 -18.609 4.049 1.00 42.22 C ATOM 1771 O VAL A 901 -6.493 -19.790 3.997 1.00 72.51 O ATOM 1772 CB VAL A 901 -8.767 -18.736 2.391 1.00 22.34 C ATOM 1773 CG1 VAL A 901 -9.846 -18.773 3.475 1.00 0.53 C ATOM 1774 CG2 VAL A 901 -9.319 -18.158 1.087 1.00 42.10 C ATOM 0 H VAL A 901 -6.584 -18.567 1.105 1.00 5.01 H new ATOM 0 HA VAL A 901 -7.903 -16.979 3.201 1.00 73.51 H new ATOM 0 HB VAL A 901 -8.453 -19.761 2.196 1.00 22.34 H new ATOM 0 HG11 VAL A 901 -10.706 -19.337 3.113 1.00 0.53 H new ATOM 0 HG12 VAL A 901 -9.447 -19.253 4.369 1.00 0.53 H new ATOM 0 HG13 VAL A 901 -10.154 -17.756 3.716 1.00 0.53 H new ATOM 0 HG21 VAL A 901 -10.189 -18.734 0.773 1.00 42.10 H new ATOM 0 HG22 VAL A 901 -9.609 -17.119 1.244 1.00 42.10 H new ATOM 0 HG23 VAL A 901 -8.553 -18.208 0.314 1.00 42.10 H new ATOM 1784 N GLN A 902 -6.625 -17.814 5.089 1.00 62.41 N ATOM 1785 CA GLN A 902 -5.960 -18.304 6.285 1.00 75.32 C ATOM 1786 C GLN A 902 -6.991 -18.822 7.290 1.00 31.30 C ATOM 1787 O GLN A 902 -8.075 -18.256 7.421 1.00 72.05 O ATOM 1788 CB GLN A 902 -5.084 -17.217 6.909 1.00 22.14 C ATOM 1789 CG GLN A 902 -5.892 -15.946 7.174 1.00 15.35 C ATOM 1790 CD GLN A 902 -5.269 -15.125 8.305 1.00 22.02 C ATOM 1791 OE1 GLN A 902 -5.949 -14.487 9.092 1.00 41.43 O ATOM 1792 NE2 GLN A 902 -3.940 -15.177 8.343 1.00 74.54 N ATOM 0 H GLN A 902 -6.907 -16.834 5.128 1.00 62.41 H new ATOM 0 HA GLN A 902 -5.309 -19.131 6.003 1.00 75.32 H new ATOM 0 HB2 GLN A 902 -4.656 -17.581 7.843 1.00 22.14 H new ATOM 0 HB3 GLN A 902 -4.251 -16.990 6.244 1.00 22.14 H new ATOM 0 HG2 GLN A 902 -5.938 -15.344 6.266 1.00 15.35 H new ATOM 0 HG3 GLN A 902 -6.917 -16.210 7.434 1.00 15.35 H new ATOM 0 HE21 GLN A 902 -3.431 -15.731 7.654 1.00 74.54 H new ATOM 0 HE22 GLN A 902 -3.430 -14.663 9.062 1.00 74.54 H new ATOM 1801 N THR A 903 -6.616 -19.893 7.975 1.00 54.13 N ATOM 1802 CA THR A 903 -7.495 -20.494 8.964 1.00 3.43 C ATOM 1803 C THR A 903 -6.677 -21.234 10.024 1.00 4.22 C ATOM 1804 O THR A 903 -5.576 -21.706 9.746 1.00 65.03 O ATOM 1805 CB THR A 903 -8.491 -21.392 8.229 1.00 71.02 C ATOM 1806 OG1 THR A 903 -9.233 -20.491 7.411 1.00 32.14 O ATOM 1807 CG2 THR A 903 -9.539 -21.994 9.166 1.00 35.25 C ATOM 0 H THR A 903 -5.716 -20.360 7.865 1.00 54.13 H new ATOM 0 HA THR A 903 -8.059 -19.734 9.505 1.00 3.43 H new ATOM 0 HB THR A 903 -7.952 -22.194 7.724 1.00 71.02 H new ATOM 0 HG1 THR A 903 -9.037 -19.569 7.679 1.00 32.14 H new ATOM 0 HG21 THR A 903 -10.221 -22.623 8.593 1.00 35.25 H new ATOM 0 HG22 THR A 903 -9.043 -22.596 9.927 1.00 35.25 H new ATOM 0 HG23 THR A 903 -10.101 -21.193 9.646 1.00 35.25 H new ATOM 1815 N LEU A 904 -7.247 -21.312 11.218 1.00 45.23 N ATOM 1816 CA LEU A 904 -6.584 -21.987 12.321 1.00 42.52 C ATOM 1817 C LEU A 904 -7.517 -23.054 12.895 1.00 75.11 C ATOM 1818 O LEU A 904 -8.609 -22.740 13.367 1.00 22.25 O ATOM 1819 CB LEU A 904 -6.100 -20.970 13.358 1.00 73.54 C ATOM 1820 CG LEU A 904 -6.756 -19.589 13.299 1.00 23.13 C ATOM 1821 CD1 LEU A 904 -8.168 -19.627 13.887 1.00 62.12 C ATOM 1822 CD2 LEU A 904 -5.879 -18.537 13.982 1.00 71.14 C ATOM 0 H LEU A 904 -8.160 -20.919 11.445 1.00 45.23 H new ATOM 0 HA LEU A 904 -5.689 -22.501 11.971 1.00 42.52 H new ATOM 0 HB2 LEU A 904 -6.265 -21.387 14.351 1.00 73.54 H new ATOM 0 HB3 LEU A 904 -5.024 -20.845 13.240 1.00 73.54 H new ATOM 0 HG LEU A 904 -6.851 -19.300 12.252 1.00 23.13 H new ATOM 0 HD11 LEU A 904 -8.612 -18.633 13.833 1.00 62.12 H new ATOM 0 HD12 LEU A 904 -8.780 -20.329 13.320 1.00 62.12 H new ATOM 0 HD13 LEU A 904 -8.120 -19.947 14.928 1.00 62.12 H new ATOM 0 HD21 LEU A 904 -6.368 -17.564 13.926 1.00 71.14 H new ATOM 0 HD22 LEU A 904 -5.731 -18.810 15.027 1.00 71.14 H new ATOM 0 HD23 LEU A 904 -4.913 -18.487 13.480 1.00 71.14 H new ATOM 1834 N TYR A 905 -7.054 -24.294 12.835 1.00 53.12 N ATOM 1835 CA TYR A 905 -7.834 -25.410 13.343 1.00 53.42 C ATOM 1836 C TYR A 905 -7.833 -25.428 14.873 1.00 62.23 C ATOM 1837 O TYR A 905 -7.378 -24.478 15.508 1.00 20.32 O ATOM 1838 CB TYR A 905 -7.145 -26.675 12.829 1.00 42.14 C ATOM 1839 CG TYR A 905 -7.241 -26.864 11.314 1.00 74.25 C ATOM 1840 CD1 TYR A 905 -7.859 -25.905 10.536 1.00 24.42 C ATOM 1841 CD2 TYR A 905 -6.711 -27.994 10.724 1.00 72.00 C ATOM 1842 CE1 TYR A 905 -7.950 -26.084 9.110 1.00 5.42 C ATOM 1843 CE2 TYR A 905 -6.802 -28.172 9.298 1.00 72.21 C ATOM 1844 CZ TYR A 905 -7.417 -27.208 8.561 1.00 21.24 C ATOM 1845 OH TYR A 905 -7.503 -27.377 7.215 1.00 43.54 O ATOM 0 H TYR A 905 -6.148 -24.551 12.442 1.00 53.12 H new ATOM 0 HA TYR A 905 -8.870 -25.336 13.013 1.00 53.42 H new ATOM 0 HB2 TYR A 905 -6.094 -26.646 13.115 1.00 42.14 H new ATOM 0 HB3 TYR A 905 -7.585 -27.542 13.322 1.00 42.14 H new ATOM 0 HD1 TYR A 905 -8.274 -25.021 10.997 1.00 24.42 H new ATOM 0 HD2 TYR A 905 -6.228 -28.745 11.332 1.00 72.00 H new ATOM 0 HE1 TYR A 905 -8.431 -25.342 8.490 1.00 5.42 H new ATOM 0 HE2 TYR A 905 -6.391 -29.051 8.824 1.00 72.21 H new ATOM 0 HH TYR A 905 -7.079 -28.224 6.964 1.00 43.54 H new ATOM 1855 N SER A 906 -8.347 -26.520 15.420 1.00 43.11 N ATOM 1856 CA SER A 906 -8.410 -26.675 16.863 1.00 14.33 C ATOM 1857 C SER A 906 -7.795 -28.014 17.274 1.00 75.35 C ATOM 1858 O SER A 906 -7.026 -28.081 18.231 1.00 33.11 O ATOM 1859 CB SER A 906 -9.853 -26.577 17.365 1.00 64.04 C ATOM 1860 OG SER A 906 -10.470 -25.351 16.980 1.00 64.51 O ATOM 0 H SER A 906 -8.724 -27.306 14.890 1.00 43.11 H new ATOM 0 HA SER A 906 -7.839 -25.866 17.319 1.00 14.33 H new ATOM 0 HB2 SER A 906 -10.431 -27.413 16.972 1.00 64.04 H new ATOM 0 HB3 SER A 906 -9.866 -26.664 18.451 1.00 64.04 H new ATOM 0 HG SER A 906 -11.390 -25.327 17.318 1.00 64.51 H new ATOM 1866 N LYS A 907 -8.158 -29.048 16.528 1.00 23.24 N ATOM 1867 CA LYS A 907 -7.651 -30.382 16.802 1.00 32.35 C ATOM 1868 C LYS A 907 -7.158 -31.013 15.499 1.00 24.51 C ATOM 1869 O LYS A 907 -7.602 -30.637 14.416 1.00 75.43 O ATOM 1870 CB LYS A 907 -8.707 -31.218 17.529 1.00 53.51 C ATOM 1871 CG LYS A 907 -8.053 -32.304 18.385 1.00 14.02 C ATOM 1872 CD LYS A 907 -7.371 -31.698 19.613 1.00 43.41 C ATOM 1873 CE LYS A 907 -8.301 -30.717 20.329 1.00 34.25 C ATOM 1874 NZ LYS A 907 -7.922 -30.590 21.754 1.00 1.33 N ATOM 0 H LYS A 907 -8.797 -28.989 15.735 1.00 23.24 H new ATOM 0 HA LYS A 907 -6.796 -30.333 17.477 1.00 32.35 H new ATOM 0 HB2 LYS A 907 -9.317 -30.571 18.160 1.00 53.51 H new ATOM 0 HB3 LYS A 907 -9.376 -31.677 16.802 1.00 53.51 H new ATOM 0 HG2 LYS A 907 -8.806 -33.025 18.702 1.00 14.02 H new ATOM 0 HG3 LYS A 907 -7.320 -32.849 17.790 1.00 14.02 H new ATOM 0 HD2 LYS A 907 -7.077 -32.492 20.299 1.00 43.41 H new ATOM 0 HD3 LYS A 907 -6.459 -31.184 19.310 1.00 43.41 H new ATOM 0 HE2 LYS A 907 -8.252 -29.741 19.845 1.00 34.25 H new ATOM 0 HE3 LYS A 907 -9.332 -31.061 20.250 1.00 34.25 H new ATOM 0 HZ1 LYS A 907 -8.563 -29.920 22.225 1.00 1.33 H new ATOM 0 HZ2 LYS A 907 -7.991 -31.519 22.216 1.00 1.33 H new ATOM 0 HZ3 LYS A 907 -6.945 -30.241 21.824 1.00 1.33 H new ATOM 1887 N TRP A 908 -6.245 -31.962 15.647 1.00 62.30 N ATOM 1888 CA TRP A 908 -5.686 -32.649 14.495 1.00 70.30 C ATOM 1889 C TRP A 908 -6.813 -33.435 13.821 1.00 45.03 C ATOM 1890 O TRP A 908 -6.734 -33.743 12.633 1.00 72.35 O ATOM 1891 CB TRP A 908 -4.504 -33.530 14.902 1.00 25.45 C ATOM 1892 CG TRP A 908 -3.599 -32.905 15.966 1.00 44.32 C ATOM 1893 CD1 TRP A 908 -2.460 -32.223 15.782 1.00 1.45 C ATOM 1894 CD2 TRP A 908 -3.805 -32.931 17.394 1.00 64.40 C ATOM 1895 NE1 TRP A 908 -1.919 -31.809 16.983 1.00 61.40 N ATOM 1896 CE2 TRP A 908 -2.763 -32.254 17.994 1.00 22.11 C ATOM 1897 CE3 TRP A 908 -4.837 -33.509 18.154 1.00 53.33 C ATOM 1898 CZ2 TRP A 908 -2.652 -32.090 19.380 1.00 30.51 C ATOM 1899 CZ3 TRP A 908 -4.712 -33.336 19.537 1.00 21.44 C ATOM 1900 CH2 TRP A 908 -3.669 -32.657 20.157 1.00 73.40 C ATOM 0 H TRP A 908 -5.879 -32.271 16.547 1.00 62.30 H new ATOM 0 HA TRP A 908 -5.282 -31.934 13.778 1.00 70.30 H new ATOM 0 HB2 TRP A 908 -4.884 -34.480 15.276 1.00 25.45 H new ATOM 0 HB3 TRP A 908 -3.908 -33.752 14.017 1.00 25.45 H new ATOM 0 HD1 TRP A 908 -2.021 -32.023 14.816 1.00 1.45 H new ATOM 0 HE1 TRP A 908 -1.059 -31.275 17.106 1.00 61.40 H new ATOM 0 HE3 TRP A 908 -5.661 -34.044 17.706 1.00 53.33 H new ATOM 0 HZ2 TRP A 908 -1.826 -31.555 19.826 1.00 30.51 H new ATOM 0 HZ3 TRP A 908 -5.480 -33.760 20.167 1.00 21.44 H new ATOM 0 HH2 TRP A 908 -3.644 -32.567 21.233 1.00 73.40 H new ATOM 1911 N LYS A 909 -7.834 -33.736 14.608 1.00 33.34 N ATOM 1912 CA LYS A 909 -8.975 -34.480 14.103 1.00 74.15 C ATOM 1913 C LYS A 909 -9.379 -33.920 12.737 1.00 63.41 C ATOM 1914 O LYS A 909 -9.937 -34.638 11.908 1.00 1.22 O ATOM 1915 CB LYS A 909 -10.112 -34.480 15.127 1.00 23.41 C ATOM 1916 CG LYS A 909 -10.975 -33.224 14.989 1.00 63.50 C ATOM 1917 CD LYS A 909 -12.170 -33.273 15.943 1.00 2.11 C ATOM 1918 CE LYS A 909 -12.958 -31.962 15.901 1.00 30.24 C ATOM 1919 NZ LYS A 909 -13.723 -31.857 14.639 1.00 71.52 N ATOM 0 H LYS A 909 -7.895 -33.478 15.593 1.00 33.34 H new ATOM 0 HA LYS A 909 -8.711 -35.527 13.955 1.00 74.15 H new ATOM 0 HB2 LYS A 909 -10.730 -35.367 14.989 1.00 23.41 H new ATOM 0 HB3 LYS A 909 -9.699 -34.533 16.134 1.00 23.41 H new ATOM 0 HG2 LYS A 909 -10.373 -32.340 15.199 1.00 63.50 H new ATOM 0 HG3 LYS A 909 -11.328 -33.132 13.962 1.00 63.50 H new ATOM 0 HD2 LYS A 909 -12.823 -34.103 15.672 1.00 2.11 H new ATOM 0 HD3 LYS A 909 -11.822 -33.460 16.959 1.00 2.11 H new ATOM 0 HE2 LYS A 909 -13.639 -31.913 16.751 1.00 30.24 H new ATOM 0 HE3 LYS A 909 -12.275 -31.117 15.990 1.00 30.24 H new ATOM 0 HZ1 LYS A 909 -14.522 -31.205 14.771 1.00 71.52 H new ATOM 0 HZ2 LYS A 909 -13.103 -31.497 13.886 1.00 71.52 H new ATOM 0 HZ3 LYS A 909 -14.083 -32.796 14.372 1.00 71.52 H new ATOM 1932 N ASP A 910 -9.080 -32.644 12.545 1.00 54.13 N ATOM 1933 CA ASP A 910 -9.405 -31.980 11.294 1.00 41.42 C ATOM 1934 C ASP A 910 -8.166 -31.957 10.397 1.00 4.20 C ATOM 1935 O ASP A 910 -7.852 -30.933 9.791 1.00 21.14 O ATOM 1936 CB ASP A 910 -9.840 -30.533 11.535 1.00 14.03 C ATOM 1937 CG ASP A 910 -11.103 -30.371 12.384 1.00 52.21 C ATOM 1938 OD1 ASP A 910 -12.205 -30.760 11.970 1.00 53.23 O ATOM 1939 OD2 ASP A 910 -10.921 -29.811 13.532 1.00 44.35 O ATOM 0 H ASP A 910 -8.616 -32.052 13.234 1.00 54.13 H new ATOM 0 HA ASP A 910 -10.221 -32.529 10.823 1.00 41.42 H new ATOM 0 HB2 ASP A 910 -9.023 -30.000 12.021 1.00 14.03 H new ATOM 0 HB3 ASP A 910 -10.005 -30.053 10.570 1.00 14.03 H new ATOM 1945 N PHE A 911 -7.494 -33.098 10.340 1.00 14.33 N ATOM 1946 CA PHE A 911 -6.296 -33.222 9.528 1.00 52.44 C ATOM 1947 C PHE A 911 -6.652 -33.386 8.049 1.00 45.15 C ATOM 1948 O PHE A 911 -7.485 -34.218 7.695 1.00 33.45 O ATOM 1949 CB PHE A 911 -5.560 -34.475 10.005 1.00 5.52 C ATOM 1950 CG PHE A 911 -6.347 -35.772 9.811 1.00 54.31 C ATOM 1951 CD1 PHE A 911 -6.285 -36.434 8.625 1.00 53.14 C ATOM 1952 CD2 PHE A 911 -7.110 -36.262 10.825 1.00 61.45 C ATOM 1953 CE1 PHE A 911 -7.016 -37.638 8.444 1.00 14.34 C ATOM 1954 CE2 PHE A 911 -7.841 -37.466 10.644 1.00 31.22 C ATOM 1955 CZ PHE A 911 -7.779 -38.129 9.458 1.00 1.50 C ATOM 0 H PHE A 911 -7.757 -33.945 10.844 1.00 14.33 H new ATOM 0 HA PHE A 911 -5.683 -32.327 9.630 1.00 52.44 H new ATOM 0 HB2 PHE A 911 -4.613 -34.553 9.470 1.00 5.52 H new ATOM 0 HB3 PHE A 911 -5.320 -34.362 11.062 1.00 5.52 H new ATOM 0 HD1 PHE A 911 -5.680 -36.044 7.820 1.00 53.14 H new ATOM 0 HD2 PHE A 911 -7.160 -35.736 11.767 1.00 61.45 H new ATOM 0 HE1 PHE A 911 -6.966 -38.164 7.502 1.00 14.34 H new ATOM 0 HE2 PHE A 911 -8.447 -37.856 11.449 1.00 31.22 H new ATOM 0 HZ PHE A 911 -8.335 -39.045 9.321 1.00 1.50 H new ATOM 1965 N HIS A 912 -6.001 -32.579 7.223 1.00 11.34 N ATOM 1966 CA HIS A 912 -6.238 -32.624 5.791 1.00 61.15 C ATOM 1967 C HIS A 912 -4.956 -33.051 5.072 1.00 54.11 C ATOM 1968 O HIS A 912 -4.793 -32.792 3.880 1.00 22.45 O ATOM 1969 CB HIS A 912 -6.782 -31.286 5.287 1.00 13.22 C ATOM 1970 CG HIS A 912 -6.973 -31.224 3.790 1.00 22.14 C ATOM 1971 ND1 HIS A 912 -7.807 -32.090 3.105 1.00 41.35 N ATOM 1972 CD2 HIS A 912 -6.430 -30.392 2.856 1.00 4.34 C ATOM 1973 CE1 HIS A 912 -7.759 -31.784 1.816 1.00 13.44 C ATOM 1974 NE2 HIS A 912 -6.905 -30.731 1.665 1.00 62.34 N ATOM 0 H HIS A 912 -5.309 -31.890 7.519 1.00 11.34 H new ATOM 0 HA HIS A 912 -7.004 -33.368 5.569 1.00 61.15 H new ATOM 0 HB2 HIS A 912 -7.737 -31.088 5.773 1.00 13.22 H new ATOM 0 HB3 HIS A 912 -6.100 -30.491 5.589 1.00 13.22 H new ATOM 0 HD2 HIS A 912 -5.731 -29.592 3.053 1.00 4.34 H new ATOM 0 HE1 HIS A 912 -8.301 -32.281 1.025 1.00 13.44 H new ATOM 0 HE2 HIS A 912 -6.670 -30.279 0.781 1.00 62.34 H new ATOM 1982 N PHE A 913 -4.080 -33.697 5.827 1.00 72.54 N ATOM 1983 CA PHE A 913 -2.818 -34.163 5.277 1.00 52.32 C ATOM 1984 C PHE A 913 -2.657 -35.671 5.475 1.00 62.33 C ATOM 1985 O PHE A 913 -3.593 -36.350 5.894 1.00 54.32 O ATOM 1986 CB PHE A 913 -1.705 -33.439 6.037 1.00 52.31 C ATOM 1987 CG PHE A 913 -1.944 -31.937 6.208 1.00 64.00 C ATOM 1988 CD1 PHE A 913 -1.997 -31.128 5.116 1.00 62.21 C ATOM 1989 CD2 PHE A 913 -2.102 -31.411 7.452 1.00 32.11 C ATOM 1990 CE1 PHE A 913 -2.218 -29.735 5.275 1.00 40.43 C ATOM 1991 CE2 PHE A 913 -2.323 -30.017 7.611 1.00 73.51 C ATOM 1992 CZ PHE A 913 -2.377 -29.209 6.519 1.00 44.42 C ATOM 0 H PHE A 913 -4.219 -33.909 6.815 1.00 72.54 H new ATOM 0 HA PHE A 913 -2.780 -33.958 4.207 1.00 52.32 H new ATOM 0 HB2 PHE A 913 -1.596 -33.894 7.022 1.00 52.31 H new ATOM 0 HB3 PHE A 913 -0.762 -33.589 5.511 1.00 52.31 H new ATOM 0 HD1 PHE A 913 -1.871 -31.545 4.128 1.00 62.21 H new ATOM 0 HD2 PHE A 913 -2.059 -32.053 8.319 1.00 32.11 H new ATOM 0 HE1 PHE A 913 -2.260 -29.093 4.408 1.00 40.43 H new ATOM 0 HE2 PHE A 913 -2.448 -29.599 8.599 1.00 73.51 H new ATOM 0 HZ PHE A 913 -2.546 -28.149 6.639 1.00 44.42 H new ATOM 2002 N GLU A 914 -1.462 -36.152 5.164 1.00 71.23 N ATOM 2003 CA GLU A 914 -1.166 -37.568 5.302 1.00 0.01 C ATOM 2004 C GLU A 914 0.163 -37.763 6.035 1.00 60.23 C ATOM 2005 O GLU A 914 1.063 -36.931 5.928 1.00 34.12 O ATOM 2006 CB GLU A 914 -1.147 -38.260 3.938 1.00 62.02 C ATOM 2007 CG GLU A 914 0.144 -37.943 3.180 1.00 10.31 C ATOM 2008 CD GLU A 914 0.018 -38.317 1.702 1.00 41.11 C ATOM 2009 OE1 GLU A 914 -0.571 -37.558 0.918 1.00 11.22 O ATOM 2010 OE2 GLU A 914 0.560 -39.441 1.376 1.00 22.20 O ATOM 0 H GLU A 914 -0.688 -35.586 4.817 1.00 71.23 H new ATOM 0 HA GLU A 914 -1.956 -38.029 5.895 1.00 0.01 H new ATOM 0 HB2 GLU A 914 -1.239 -39.338 4.072 1.00 62.02 H new ATOM 0 HB3 GLU A 914 -2.006 -37.937 3.350 1.00 62.02 H new ATOM 0 HG2 GLU A 914 0.372 -36.881 3.272 1.00 10.31 H new ATOM 0 HG3 GLU A 914 0.976 -38.488 3.627 1.00 10.31 H new ATOM 2018 N LYS A 915 0.245 -38.868 6.762 1.00 54.40 N ATOM 2019 CA LYS A 915 1.449 -39.183 7.512 1.00 54.41 C ATOM 2020 C LYS A 915 2.599 -39.440 6.537 1.00 41.14 C ATOM 2021 O LYS A 915 2.526 -40.349 5.711 1.00 24.03 O ATOM 2022 CB LYS A 915 1.191 -40.341 8.478 1.00 54.22 C ATOM 2023 CG LYS A 915 1.585 -41.678 7.848 1.00 71.31 C ATOM 2024 CD LYS A 915 0.712 -41.989 6.630 1.00 30.54 C ATOM 2025 CE LYS A 915 1.414 -42.970 5.689 1.00 41.45 C ATOM 2026 NZ LYS A 915 1.041 -44.363 6.019 1.00 62.20 N ATOM 0 H LYS A 915 -0.503 -39.556 6.847 1.00 54.40 H new ATOM 0 HA LYS A 915 1.742 -38.338 8.135 1.00 54.41 H new ATOM 0 HB2 LYS A 915 1.758 -40.187 9.396 1.00 54.22 H new ATOM 0 HB3 LYS A 915 0.137 -40.361 8.754 1.00 54.22 H new ATOM 0 HG2 LYS A 915 2.633 -41.649 7.551 1.00 71.31 H new ATOM 0 HG3 LYS A 915 1.485 -42.475 8.585 1.00 71.31 H new ATOM 0 HD2 LYS A 915 -0.238 -42.410 6.957 1.00 30.54 H new ATOM 0 HD3 LYS A 915 0.485 -41.066 6.096 1.00 30.54 H new ATOM 0 HE2 LYS A 915 1.143 -42.750 4.657 1.00 41.45 H new ATOM 0 HE3 LYS A 915 2.494 -42.848 5.768 1.00 41.45 H new ATOM 0 HZ1 LYS A 915 1.526 -45.015 5.371 1.00 62.20 H new ATOM 0 HZ2 LYS A 915 1.322 -44.575 6.998 1.00 62.20 H new ATOM 0 HZ3 LYS A 915 0.012 -44.479 5.921 1.00 62.20 H new ATOM 2039 N ILE A 916 3.634 -38.623 6.664 1.00 43.11 N ATOM 2040 CA ILE A 916 4.799 -38.751 5.804 1.00 54.40 C ATOM 2041 C ILE A 916 6.044 -38.965 6.667 1.00 14.01 C ATOM 2042 O ILE A 916 6.169 -38.375 7.739 1.00 23.21 O ATOM 2043 CB ILE A 916 4.903 -37.550 4.862 1.00 51.15 C ATOM 2044 CG1 ILE A 916 3.688 -37.473 3.935 1.00 70.24 C ATOM 2045 CG2 ILE A 916 6.219 -37.578 4.081 1.00 74.20 C ATOM 2046 CD1 ILE A 916 3.388 -36.025 3.542 1.00 64.11 C ATOM 0 H ILE A 916 3.691 -37.870 7.349 1.00 43.11 H new ATOM 0 HA ILE A 916 4.703 -39.625 5.160 1.00 54.40 H new ATOM 0 HB ILE A 916 4.906 -36.642 5.465 1.00 51.15 H new ATOM 0 HG12 ILE A 916 3.872 -38.066 3.039 1.00 70.24 H new ATOM 0 HG13 ILE A 916 2.820 -37.906 4.431 1.00 70.24 H new ATOM 0 HG21 ILE A 916 6.268 -36.714 3.419 1.00 74.20 H new ATOM 0 HG22 ILE A 916 7.056 -37.549 4.778 1.00 74.20 H new ATOM 0 HG23 ILE A 916 6.271 -38.492 3.489 1.00 74.20 H new ATOM 0 HD11 ILE A 916 2.520 -35.999 2.883 1.00 64.11 H new ATOM 0 HD12 ILE A 916 3.181 -35.440 4.438 1.00 64.11 H new ATOM 0 HD13 ILE A 916 4.249 -35.603 3.024 1.00 64.11 H new ATOM 2058 N PRO A 917 6.956 -39.833 6.154 1.00 21.10 N ATOM 2059 CA PRO A 917 8.187 -40.133 6.866 1.00 52.31 C ATOM 2060 C PRO A 917 9.179 -38.973 6.759 1.00 53.45 C ATOM 2061 O PRO A 917 9.644 -38.648 5.667 1.00 14.21 O ATOM 2062 CB PRO A 917 8.703 -41.416 6.236 1.00 22.01 C ATOM 2063 CG PRO A 917 7.998 -41.535 4.895 1.00 64.04 C ATOM 2064 CD PRO A 917 6.841 -40.550 4.887 1.00 11.13 C ATOM 0 HA PRO A 917 8.032 -40.265 7.937 1.00 52.31 H new ATOM 0 HB2 PRO A 917 9.785 -41.380 6.107 1.00 22.01 H new ATOM 0 HB3 PRO A 917 8.486 -42.277 6.869 1.00 22.01 H new ATOM 0 HG2 PRO A 917 8.689 -41.319 4.080 1.00 64.04 H new ATOM 0 HG3 PRO A 917 7.635 -42.552 4.744 1.00 64.04 H new ATOM 0 HD2 PRO A 917 6.907 -39.868 4.039 1.00 11.13 H new ATOM 0 HD3 PRO A 917 5.883 -41.065 4.809 1.00 11.13 H new ATOM 2072 N PHE A 918 9.474 -38.380 7.906 1.00 34.12 N ATOM 2073 CA PHE A 918 10.402 -37.263 7.955 1.00 31.30 C ATOM 2074 C PHE A 918 11.699 -37.596 7.215 1.00 50.44 C ATOM 2075 O PHE A 918 12.433 -38.498 7.615 1.00 11.22 O ATOM 2076 CB PHE A 918 10.721 -37.011 9.430 1.00 52.01 C ATOM 2077 CG PHE A 918 11.063 -35.555 9.752 1.00 2.13 C ATOM 2078 CD1 PHE A 918 10.069 -34.663 10.005 1.00 13.45 C ATOM 2079 CD2 PHE A 918 12.362 -35.153 9.786 1.00 61.23 C ATOM 2080 CE1 PHE A 918 10.386 -33.311 10.305 1.00 64.32 C ATOM 2081 CE2 PHE A 918 12.680 -33.802 10.085 1.00 52.01 C ATOM 2082 CZ PHE A 918 11.685 -32.910 10.338 1.00 3.52 C ATOM 0 H PHE A 918 9.087 -38.652 8.809 1.00 34.12 H new ATOM 0 HA PHE A 918 9.958 -36.389 7.480 1.00 31.30 H new ATOM 0 HB2 PHE A 918 9.865 -37.315 10.033 1.00 52.01 H new ATOM 0 HB3 PHE A 918 11.559 -37.644 9.723 1.00 52.01 H new ATOM 0 HD1 PHE A 918 9.038 -34.982 9.978 1.00 13.45 H new ATOM 0 HD2 PHE A 918 13.152 -35.862 9.585 1.00 61.23 H new ATOM 0 HE1 PHE A 918 9.596 -32.602 10.507 1.00 64.32 H new ATOM 0 HE2 PHE A 918 13.711 -33.483 10.112 1.00 52.01 H new ATOM 0 HZ PHE A 918 11.927 -31.882 10.565 1.00 3.52 H new ATOM 2092 N ASP A 919 11.942 -36.849 6.148 1.00 53.25 N ATOM 2093 CA ASP A 919 13.137 -37.053 5.347 1.00 4.25 C ATOM 2094 C ASP A 919 14.280 -36.214 5.923 1.00 23.44 C ATOM 2095 O ASP A 919 14.141 -35.005 6.099 1.00 74.04 O ATOM 2096 CB ASP A 919 12.912 -36.614 3.899 1.00 25.22 C ATOM 2097 CG ASP A 919 12.356 -37.698 2.974 1.00 21.41 C ATOM 2098 OD1 ASP A 919 11.142 -37.948 2.941 1.00 60.13 O ATOM 2099 OD2 ASP A 919 13.238 -38.308 2.256 1.00 0.14 O ATOM 0 H ASP A 919 11.331 -36.101 5.819 1.00 53.25 H new ATOM 0 HA ASP A 919 13.379 -38.115 5.368 1.00 4.25 H new ATOM 0 HB2 ASP A 919 12.226 -35.767 3.894 1.00 25.22 H new ATOM 0 HB3 ASP A 919 13.859 -36.260 3.491 1.00 25.22 H new ATOM 2105 N PRO A 920 15.415 -36.908 6.209 1.00 34.12 N ATOM 2106 CA PRO A 920 16.581 -36.241 6.762 1.00 51.43 C ATOM 2107 C PRO A 920 17.307 -35.428 5.688 1.00 3.32 C ATOM 2108 O PRO A 920 18.147 -34.586 6.004 1.00 62.32 O ATOM 2109 CB PRO A 920 17.435 -37.356 7.341 1.00 20.43 C ATOM 2110 CG PRO A 920 16.947 -38.638 6.686 1.00 30.20 C ATOM 2111 CD PRO A 920 15.616 -38.341 6.015 1.00 61.02 C ATOM 0 HA PRO A 920 16.324 -35.514 7.532 1.00 51.43 H new ATOM 0 HB2 PRO A 920 18.491 -37.188 7.131 1.00 20.43 H new ATOM 0 HB3 PRO A 920 17.329 -37.406 8.425 1.00 20.43 H new ATOM 0 HG2 PRO A 920 17.673 -38.993 5.954 1.00 30.20 H new ATOM 0 HG3 PRO A 920 16.832 -39.427 7.429 1.00 30.20 H new ATOM 0 HD2 PRO A 920 15.640 -38.598 4.956 1.00 61.02 H new ATOM 0 HD3 PRO A 920 14.808 -38.919 6.464 1.00 61.02 H new ATOM 2119 N ALA A 921 16.957 -35.707 4.441 1.00 22.54 N ATOM 2120 CA ALA A 921 17.565 -35.013 3.319 1.00 2.44 C ATOM 2121 C ALA A 921 17.071 -33.565 3.293 1.00 10.24 C ATOM 2122 O ALA A 921 17.765 -32.677 2.800 1.00 73.13 O ATOM 2123 CB ALA A 921 17.248 -35.760 2.023 1.00 73.41 C ATOM 0 H ALA A 921 16.259 -36.405 4.183 1.00 22.54 H new ATOM 0 HA ALA A 921 18.650 -34.990 3.424 1.00 2.44 H new ATOM 0 HB1 ALA A 921 17.704 -35.239 1.182 1.00 73.41 H new ATOM 0 HB2 ALA A 921 17.645 -36.773 2.081 1.00 73.41 H new ATOM 0 HB3 ALA A 921 16.168 -35.801 1.882 1.00 73.41 H new ATOM 2129 N GLU A 922 15.876 -33.371 3.831 1.00 33.51 N ATOM 2130 CA GLU A 922 15.281 -32.047 3.876 1.00 54.42 C ATOM 2131 C GLU A 922 15.538 -31.395 5.236 1.00 43.53 C ATOM 2132 O GLU A 922 15.481 -30.172 5.363 1.00 72.51 O ATOM 2133 CB GLU A 922 13.782 -32.108 3.572 1.00 23.14 C ATOM 2134 CG GLU A 922 13.461 -33.269 2.629 1.00 10.00 C ATOM 2135 CD GLU A 922 12.328 -32.898 1.670 1.00 62.44 C ATOM 2136 OE1 GLU A 922 12.230 -31.737 1.246 1.00 72.34 O ATOM 2137 OE2 GLU A 922 11.533 -33.867 1.365 1.00 35.24 O ATOM 0 H GLU A 922 15.304 -34.110 4.240 1.00 33.51 H new ATOM 0 HA GLU A 922 15.750 -31.434 3.106 1.00 54.42 H new ATOM 0 HB2 GLU A 922 13.223 -32.224 4.501 1.00 23.14 H new ATOM 0 HB3 GLU A 922 13.460 -31.169 3.121 1.00 23.14 H new ATOM 0 HG2 GLU A 922 14.351 -33.537 2.060 1.00 10.00 H new ATOM 0 HG3 GLU A 922 13.178 -34.147 3.210 1.00 10.00 H new ATOM 2145 N MET A 923 15.817 -32.239 6.218 1.00 71.01 N ATOM 2146 CA MET A 923 16.084 -31.760 7.564 1.00 74.14 C ATOM 2147 C MET A 923 17.418 -31.014 7.626 1.00 52.35 C ATOM 2148 O MET A 923 17.506 -29.941 8.221 1.00 31.01 O ATOM 2149 CB MET A 923 16.116 -32.945 8.530 1.00 22.53 C ATOM 2150 CG MET A 923 16.428 -32.483 9.955 1.00 51.40 C ATOM 2151 SD MET A 923 17.130 -33.828 10.894 1.00 34.44 S ATOM 2152 CE MET A 923 16.159 -33.703 12.387 1.00 22.43 C ATOM 0 H MET A 923 15.864 -33.252 6.109 1.00 71.01 H new ATOM 0 HA MET A 923 15.290 -31.069 7.848 1.00 74.14 H new ATOM 0 HB2 MET A 923 15.155 -33.459 8.513 1.00 22.53 H new ATOM 0 HB3 MET A 923 16.868 -33.664 8.204 1.00 22.53 H new ATOM 0 HG2 MET A 923 17.124 -31.644 9.930 1.00 51.40 H new ATOM 0 HG3 MET A 923 15.518 -32.128 10.438 1.00 51.40 H new ATOM 0 HE1 MET A 923 16.709 -34.146 13.217 1.00 22.43 H new ATOM 0 HE2 MET A 923 15.958 -32.654 12.604 1.00 22.43 H new ATOM 0 HE3 MET A 923 15.216 -34.232 12.253 1.00 22.43 H new ATOM 2162 N SER A 924 18.423 -31.611 7.002 1.00 11.32 N ATOM 2163 CA SER A 924 19.748 -31.016 6.979 1.00 44.20 C ATOM 2164 C SER A 924 19.962 -30.264 5.663 1.00 32.43 C ATOM 2165 O SER A 924 19.136 -30.348 4.756 1.00 53.42 O ATOM 2166 CB SER A 924 20.833 -32.079 7.165 1.00 74.12 C ATOM 2167 OG SER A 924 20.600 -32.883 8.319 1.00 42.44 O ATOM 0 H SER A 924 18.346 -32.500 6.509 1.00 11.32 H new ATOM 0 HA SER A 924 19.821 -30.312 7.808 1.00 44.20 H new ATOM 0 HB2 SER A 924 20.872 -32.716 6.281 1.00 74.12 H new ATOM 0 HB3 SER A 924 21.805 -31.594 7.251 1.00 74.12 H new ATOM 0 HG SER A 924 21.313 -33.550 8.402 1.00 42.44 H new ATOM 2173 N LYS A 925 21.075 -29.548 5.602 1.00 55.11 N ATOM 2174 CA LYS A 925 21.407 -28.782 4.412 1.00 20.45 C ATOM 2175 C LYS A 925 21.124 -29.630 3.170 1.00 4.23 C ATOM 2176 O LYS A 925 20.576 -29.133 2.188 1.00 70.54 O ATOM 2177 CB LYS A 925 22.846 -28.268 4.491 1.00 13.45 C ATOM 2178 CG LYS A 925 23.151 -27.313 3.336 1.00 55.35 C ATOM 2179 CD LYS A 925 24.658 -27.098 3.184 1.00 31.34 C ATOM 2180 CE LYS A 925 25.306 -26.794 4.536 1.00 5.52 C ATOM 2181 NZ LYS A 925 26.763 -26.585 4.377 1.00 40.22 N ATOM 0 H LYS A 925 21.758 -29.482 6.357 1.00 55.11 H new ATOM 0 HA LYS A 925 20.779 -27.894 4.342 1.00 20.45 H new ATOM 0 HB2 LYS A 925 23.002 -27.757 5.441 1.00 13.45 H new ATOM 0 HB3 LYS A 925 23.538 -29.109 4.464 1.00 13.45 H new ATOM 0 HG2 LYS A 925 22.742 -27.716 2.409 1.00 55.35 H new ATOM 0 HG3 LYS A 925 22.660 -26.356 3.512 1.00 55.35 H new ATOM 0 HD2 LYS A 925 25.114 -27.988 2.750 1.00 31.34 H new ATOM 0 HD3 LYS A 925 24.844 -26.275 2.494 1.00 31.34 H new ATOM 0 HE2 LYS A 925 24.851 -25.905 4.973 1.00 5.52 H new ATOM 0 HE3 LYS A 925 25.124 -27.617 5.227 1.00 5.52 H new ATOM 0 HZ1 LYS A 925 27.187 -26.380 5.304 1.00 40.22 H new ATOM 0 HZ2 LYS A 925 27.196 -27.444 3.981 1.00 40.22 H new ATOM 0 HZ3 LYS A 925 26.931 -25.785 3.735 1.00 40.22 H new TER 2194 LYS A 925