USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=37 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 806 LYS NZ :NH3+ -143:sc= -1.19 (180deg=-3.12!) USER MOD Set 1.2: A 905 TYR OH : rot -89:sc= 0.439 USER MOD Set 1.3: A 912 HIS : no HE2:sc= -0.0985 K(o=-0.85,f=-7.7!) USER MOD Set 2.1: A 814 LYS NZ :NH3+ 150:sc= -6.3! (180deg=-8.49!) USER MOD Set 2.2: A 902 GLN : amide:sc= -4.21! K(o=-11!,f=-7.4) USER MOD Set 3.1: A 810 CYS SG : rot 140:sc= -3.59! USER MOD Set 3.2: A 812 LYS NZ :NH3+ -118:sc= -0.405 (180deg=-1.77!) USER MOD Single : A 793 SER OG : rot 180:sc= 0 USER MOD Single : A 794 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 798 LYS NZ :NH3+ -162:sc= -0.0229 (180deg=-0.625) USER MOD Single : A 803 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 805 ASN : amide:sc= -3.92! C(o=-3.9!,f=-2.9!) USER MOD Single : A 807 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 CYS SG : rot -49:sc= -0.0825 USER MOD Single : A 818 CYS SG : rot -69:sc= -1.71 USER MOD Single : A 819 TYR OH : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot -78:sc= 0.9 USER MOD Single : A 829 CYS SG : rot 59:sc= 0.0446 USER MOD Single : A 830 HIS : no HE2:sc= -7.4! C(o=-7.4!,f=-10!) USER MOD Single : A 831 TYR OH : rot 165:sc= 0 USER MOD Single : A 832 THR OG1 : rot 40:sc= -0.103 USER MOD Single : A 839 LYS NZ :NH3+ -106:sc= 1.18 (180deg=-0.0596) USER MOD Single : A 841 CYS SG : rot 80:sc= -0.0711 USER MOD Single : A 844 SER OG : rot -2:sc= 0.575! USER MOD Single : A 847 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 849 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 851 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 852 GLN : amide:sc= -0.809 X(o=-0.81,f=-1.3) USER MOD Single : A 854 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 123:sc= 1.18 USER MOD Single : A 858 LYS NZ :NH3+ -167:sc= -0.213 (180deg=-0.515) USER MOD Single : A 861 LYS NZ :NH3+ 159:sc= -1.07 (180deg=-1.51) USER MOD Single : A 864 CYS SG : rot 28:sc= -1.07 USER MOD Single : A 867 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 868 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 869 CYS SG : rot 58:sc= 0.0164 USER MOD Single : A 870 SER OG : rot -52:sc= 0.0147 USER MOD Single : A 871 HIS : no HE2:sc= -2.99 K(o=-3,f=-3.9!) USER MOD Single : A 876 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-1.4) USER MOD Single : A 878 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 108:sc= 2.15 USER MOD Single : A 888 LYS NZ :NH3+ -121:sc= -1.66 (180deg=-4.11!) USER MOD Single : A 891 SER OG : rot 66:sc= -4.67! USER MOD Single : A 899 THR OG1 : rot -164:sc= -7.89! USER MOD Single : A 903 THR OG1 : rot 180:sc= -1.62! 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+ -142:sc= -0.18 (180deg=-1.06) USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 MET CE :methyl -176:sc= -5.68! (180deg=-5.72!) 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 -28.406 -27.539 8.146 1.00 72.34 N ATOM 2 CA ASP A 792 -27.562 -27.402 6.971 1.00 71.11 C ATOM 3 C ASP A 792 -27.491 -25.928 6.569 1.00 50.44 C ATOM 4 O ASP A 792 -28.418 -25.163 6.832 1.00 73.44 O ATOM 5 CB ASP A 792 -28.132 -28.188 5.788 1.00 0.24 C ATOM 6 CG ASP A 792 -29.627 -27.984 5.537 1.00 53.22 C ATOM 7 OD1 ASP A 792 -30.316 -28.877 5.021 1.00 0.23 O ATOM 8 OD2 ASP A 792 -30.089 -26.835 5.899 1.00 52.12 O ATOM 0 HA ASP A 792 -26.574 -27.790 7.219 1.00 71.11 H new ATOM 0 HB2 ASP A 792 -27.586 -27.907 4.887 1.00 0.24 H new ATOM 0 HB3 ASP A 792 -27.948 -29.249 5.954 1.00 0.24 H new ATOM 14 N SER A 793 -26.382 -25.572 5.937 1.00 24.35 N ATOM 15 CA SER A 793 -26.177 -24.203 5.496 1.00 15.13 C ATOM 16 C SER A 793 -26.288 -24.122 3.972 1.00 34.14 C ATOM 17 O SER A 793 -26.504 -23.045 3.418 1.00 22.33 O ATOM 18 CB SER A 793 -24.819 -23.672 5.959 1.00 71.25 C ATOM 19 OG SER A 793 -24.772 -22.248 5.951 1.00 43.11 O ATOM 0 H SER A 793 -25.615 -26.209 5.720 1.00 24.35 H new ATOM 0 HA SER A 793 -26.951 -23.580 5.944 1.00 15.13 H new ATOM 0 HB2 SER A 793 -24.611 -24.036 6.965 1.00 71.25 H new ATOM 0 HB3 SER A 793 -24.036 -24.064 5.310 1.00 71.25 H new ATOM 0 HG SER A 793 -23.890 -21.948 6.254 1.00 43.11 H new ATOM 25 N GLN A 794 -26.136 -25.275 3.338 1.00 31.31 N ATOM 26 CA GLN A 794 -26.216 -25.349 1.889 1.00 14.31 C ATOM 27 C GLN A 794 -24.953 -24.761 1.257 1.00 22.41 C ATOM 28 O GLN A 794 -25.017 -24.134 0.201 1.00 63.53 O ATOM 29 CB GLN A 794 -27.469 -24.638 1.373 1.00 41.13 C ATOM 30 CG GLN A 794 -27.921 -25.226 0.035 1.00 62.34 C ATOM 31 CD GLN A 794 -29.009 -24.362 -0.605 1.00 14.23 C ATOM 32 OE1 GLN A 794 -29.787 -23.702 0.065 1.00 75.32 O ATOM 33 NE2 GLN A 794 -29.021 -24.402 -1.934 1.00 43.41 N ATOM 0 H GLN A 794 -25.958 -26.166 3.801 1.00 31.31 H new ATOM 0 HA GLN A 794 -26.288 -26.398 1.601 1.00 14.31 H new ATOM 0 HB2 GLN A 794 -28.272 -24.731 2.105 1.00 41.13 H new ATOM 0 HB3 GLN A 794 -27.265 -23.574 1.256 1.00 41.13 H new ATOM 0 HG2 GLN A 794 -27.068 -25.302 -0.640 1.00 62.34 H new ATOM 0 HG3 GLN A 794 -28.298 -26.237 0.187 1.00 62.34 H new ATOM 0 HE21 GLN A 794 -28.341 -24.976 -2.433 1.00 43.41 H new ATOM 0 HE22 GLN A 794 -29.710 -23.859 -2.454 1.00 43.41 H new ATOM 42 N GLU A 795 -23.834 -24.985 1.930 1.00 21.43 N ATOM 43 CA GLU A 795 -22.557 -24.486 1.448 1.00 75.23 C ATOM 44 C GLU A 795 -21.824 -25.575 0.662 1.00 33.41 C ATOM 45 O GLU A 795 -21.966 -26.761 0.958 1.00 4.11 O ATOM 46 CB GLU A 795 -21.698 -23.971 2.604 1.00 63.14 C ATOM 47 CG GLU A 795 -21.059 -25.130 3.371 1.00 35.54 C ATOM 48 CD GLU A 795 -20.140 -24.614 4.480 1.00 14.22 C ATOM 49 OE1 GLU A 795 -20.184 -23.421 4.816 1.00 42.12 O ATOM 50 OE2 GLU A 795 -19.361 -25.501 5.000 1.00 50.22 O ATOM 0 H GLU A 795 -23.785 -25.506 2.806 1.00 21.43 H new ATOM 0 HA GLU A 795 -22.746 -23.647 0.778 1.00 75.23 H new ATOM 0 HB2 GLU A 795 -20.920 -23.313 2.218 1.00 63.14 H new ATOM 0 HB3 GLU A 795 -22.312 -23.377 3.281 1.00 63.14 H new ATOM 0 HG2 GLU A 795 -21.838 -25.758 3.803 1.00 35.54 H new ATOM 0 HG3 GLU A 795 -20.489 -25.755 2.684 1.00 35.54 H new ATOM 58 N LYS A 796 -21.057 -25.134 -0.324 1.00 21.42 N ATOM 59 CA LYS A 796 -20.301 -26.057 -1.154 1.00 53.11 C ATOM 60 C LYS A 796 -18.890 -25.507 -1.366 1.00 5.43 C ATOM 61 O LYS A 796 -18.672 -24.298 -1.288 1.00 73.43 O ATOM 62 CB LYS A 796 -21.052 -26.343 -2.457 1.00 5.05 C ATOM 63 CG LYS A 796 -22.152 -27.383 -2.238 1.00 55.20 C ATOM 64 CD LYS A 796 -21.563 -28.790 -2.127 1.00 30.32 C ATOM 65 CE LYS A 796 -22.470 -29.700 -1.296 1.00 72.54 C ATOM 66 NZ LYS A 796 -23.557 -30.254 -2.135 1.00 40.30 N ATOM 0 H LYS A 796 -20.943 -24.150 -0.567 1.00 21.42 H new ATOM 0 HA LYS A 796 -20.196 -27.020 -0.655 1.00 53.11 H new ATOM 0 HB2 LYS A 796 -21.489 -25.421 -2.839 1.00 5.05 H new ATOM 0 HB3 LYS A 796 -20.353 -26.701 -3.213 1.00 5.05 H new ATOM 0 HG2 LYS A 796 -22.707 -27.145 -1.331 1.00 55.20 H new ATOM 0 HG3 LYS A 796 -22.862 -27.346 -3.065 1.00 55.20 H new ATOM 0 HD2 LYS A 796 -21.432 -29.213 -3.123 1.00 30.32 H new ATOM 0 HD3 LYS A 796 -20.575 -28.739 -1.669 1.00 30.32 H new ATOM 0 HE2 LYS A 796 -21.884 -30.513 -0.866 1.00 72.54 H new ATOM 0 HE3 LYS A 796 -22.895 -29.138 -0.464 1.00 72.54 H new ATOM 0 HZ1 LYS A 796 -24.163 -30.869 -1.556 1.00 40.30 H new ATOM 0 HZ2 LYS A 796 -24.126 -29.475 -2.525 1.00 40.30 H new ATOM 0 HZ3 LYS A 796 -23.147 -30.807 -2.914 1.00 40.30 H new ATOM 79 N PRO A 797 -17.942 -26.444 -1.636 1.00 2.23 N ATOM 80 CA PRO A 797 -16.557 -26.065 -1.859 1.00 61.10 C ATOM 81 C PRO A 797 -16.377 -25.435 -3.242 1.00 1.15 C ATOM 82 O PRO A 797 -17.308 -25.415 -4.045 1.00 32.32 O ATOM 83 CB PRO A 797 -15.765 -27.350 -1.684 1.00 65.43 C ATOM 84 CG PRO A 797 -16.769 -28.482 -1.830 1.00 23.23 C ATOM 85 CD PRO A 797 -18.163 -27.884 -1.735 1.00 44.40 C ATOM 0 HA PRO A 797 -16.212 -25.302 -1.161 1.00 61.10 H new ATOM 0 HB2 PRO A 797 -14.977 -27.428 -2.433 1.00 65.43 H new ATOM 0 HB3 PRO A 797 -15.281 -27.381 -0.708 1.00 65.43 H new ATOM 0 HG2 PRO A 797 -16.636 -28.990 -2.785 1.00 23.23 H new ATOM 0 HG3 PRO A 797 -16.620 -29.228 -1.049 1.00 23.23 H new ATOM 0 HD2 PRO A 797 -18.762 -28.134 -2.611 1.00 44.40 H new ATOM 0 HD3 PRO A 797 -18.698 -28.263 -0.865 1.00 44.40 H new ATOM 93 N LYS A 798 -15.173 -24.935 -3.477 1.00 25.24 N ATOM 94 CA LYS A 798 -14.858 -24.306 -4.748 1.00 74.11 C ATOM 95 C LYS A 798 -13.906 -25.207 -5.536 1.00 64.03 C ATOM 96 O LYS A 798 -13.172 -26.002 -4.952 1.00 25.31 O ATOM 97 CB LYS A 798 -14.324 -22.890 -4.527 1.00 40.54 C ATOM 98 CG LYS A 798 -12.804 -22.898 -4.348 1.00 75.53 C ATOM 99 CD LYS A 798 -12.266 -21.479 -4.158 1.00 54.14 C ATOM 100 CE LYS A 798 -10.757 -21.427 -4.405 1.00 33.01 C ATOM 101 NZ LYS A 798 -10.115 -22.683 -3.957 1.00 35.03 N ATOM 0 H LYS A 798 -14.403 -24.953 -2.808 1.00 25.24 H new ATOM 0 HA LYS A 798 -15.759 -24.191 -5.350 1.00 74.11 H new ATOM 0 HB2 LYS A 798 -14.590 -22.261 -5.376 1.00 40.54 H new ATOM 0 HB3 LYS A 798 -14.795 -22.453 -3.646 1.00 40.54 H new ATOM 0 HG2 LYS A 798 -12.539 -23.509 -3.485 1.00 75.53 H new ATOM 0 HG3 LYS A 798 -12.334 -23.355 -5.219 1.00 75.53 H new ATOM 0 HD2 LYS A 798 -12.774 -20.799 -4.842 1.00 54.14 H new ATOM 0 HD3 LYS A 798 -12.485 -21.136 -3.147 1.00 54.14 H new ATOM 0 HE2 LYS A 798 -10.561 -21.270 -5.466 1.00 33.01 H new ATOM 0 HE3 LYS A 798 -10.324 -20.580 -3.872 1.00 33.01 H new ATOM 0 HZ1 LYS A 798 -9.093 -22.529 -3.843 1.00 35.03 H new ATOM 0 HZ2 LYS A 798 -10.525 -22.977 -3.048 1.00 35.03 H new ATOM 0 HZ3 LYS A 798 -10.276 -23.427 -4.666 1.00 35.03 H new ATOM 114 N PRO A 799 -13.949 -25.048 -6.886 1.00 72.13 N ATOM 115 CA PRO A 799 -13.099 -25.838 -7.761 1.00 2.43 C ATOM 116 C PRO A 799 -11.652 -25.341 -7.714 1.00 55.42 C ATOM 117 O PRO A 799 -11.407 -24.135 -7.703 1.00 24.43 O ATOM 118 CB PRO A 799 -13.726 -25.711 -9.139 1.00 54.12 C ATOM 119 CG PRO A 799 -14.628 -24.489 -9.076 1.00 43.41 C ATOM 120 CD PRO A 799 -14.806 -24.116 -7.613 1.00 50.04 C ATOM 0 HA PRO A 799 -13.042 -26.884 -7.460 1.00 2.43 H new ATOM 0 HB2 PRO A 799 -12.961 -25.593 -9.907 1.00 54.12 H new ATOM 0 HB3 PRO A 799 -14.296 -26.605 -9.392 1.00 54.12 H new ATOM 0 HG2 PRO A 799 -14.187 -23.660 -9.630 1.00 43.41 H new ATOM 0 HG3 PRO A 799 -15.593 -24.703 -9.536 1.00 43.41 H new ATOM 0 HD2 PRO A 799 -14.512 -23.082 -7.429 1.00 50.04 H new ATOM 0 HD3 PRO A 799 -15.847 -24.212 -7.304 1.00 50.04 H new ATOM 128 N VAL A 800 -10.733 -26.294 -7.689 1.00 32.33 N ATOM 129 CA VAL A 800 -9.318 -25.969 -7.644 1.00 2.42 C ATOM 130 C VAL A 800 -8.613 -26.611 -8.840 1.00 41.12 C ATOM 131 O VAL A 800 -8.875 -27.765 -9.173 1.00 74.45 O ATOM 132 CB VAL A 800 -8.725 -26.397 -6.300 1.00 4.30 C ATOM 133 CG1 VAL A 800 -9.451 -27.624 -5.746 1.00 14.31 C ATOM 134 CG2 VAL A 800 -7.222 -26.658 -6.422 1.00 71.03 C ATOM 0 H VAL A 800 -10.941 -27.293 -7.699 1.00 32.33 H new ATOM 0 HA VAL A 800 -9.171 -24.892 -7.720 1.00 2.42 H new ATOM 0 HB VAL A 800 -8.867 -25.578 -5.595 1.00 4.30 H new ATOM 0 HG11 VAL A 800 -9.010 -27.907 -4.790 1.00 14.31 H new ATOM 0 HG12 VAL A 800 -10.506 -27.389 -5.603 1.00 14.31 H new ATOM 0 HG13 VAL A 800 -9.356 -28.451 -6.449 1.00 14.31 H new ATOM 0 HG21 VAL A 800 -6.825 -26.961 -5.453 1.00 71.03 H new ATOM 0 HG22 VAL A 800 -7.048 -27.451 -7.149 1.00 71.03 H new ATOM 0 HG23 VAL A 800 -6.720 -25.748 -6.751 1.00 71.03 H new ATOM 144 N PRO A 801 -7.708 -25.814 -9.470 1.00 33.10 N ATOM 145 CA PRO A 801 -6.964 -26.293 -10.622 1.00 43.22 C ATOM 146 C PRO A 801 -5.862 -27.266 -10.198 1.00 35.45 C ATOM 147 O PRO A 801 -5.982 -28.473 -10.405 1.00 43.11 O ATOM 148 CB PRO A 801 -6.423 -25.039 -11.290 1.00 10.13 C ATOM 149 CG PRO A 801 -6.490 -23.944 -10.237 1.00 74.22 C ATOM 150 CD PRO A 801 -7.372 -24.442 -9.103 1.00 43.31 C ATOM 0 HA PRO A 801 -7.583 -26.863 -11.315 1.00 43.22 H new ATOM 0 HB2 PRO A 801 -5.399 -25.190 -11.632 1.00 10.13 H new ATOM 0 HB3 PRO A 801 -7.016 -24.776 -12.166 1.00 10.13 H new ATOM 0 HG2 PRO A 801 -5.492 -23.707 -9.869 1.00 74.22 H new ATOM 0 HG3 PRO A 801 -6.898 -23.028 -10.664 1.00 74.22 H new ATOM 0 HD2 PRO A 801 -6.848 -24.405 -8.148 1.00 43.31 H new ATOM 0 HD3 PRO A 801 -8.267 -23.829 -8.999 1.00 43.31 H new ATOM 158 N ASP A 802 -4.815 -26.706 -9.611 1.00 13.25 N ATOM 159 CA ASP A 802 -3.694 -27.509 -9.155 1.00 22.43 C ATOM 160 C ASP A 802 -3.418 -27.203 -7.681 1.00 71.22 C ATOM 161 O ASP A 802 -4.144 -26.430 -7.058 1.00 3.11 O ATOM 162 CB ASP A 802 -2.427 -27.188 -9.949 1.00 43.45 C ATOM 163 CG ASP A 802 -2.362 -27.812 -11.345 1.00 33.54 C ATOM 164 OD1 ASP A 802 -3.027 -27.349 -12.283 1.00 42.13 O ATOM 165 OD2 ASP A 802 -1.579 -28.832 -11.450 1.00 1.03 O ATOM 0 H ASP A 802 -4.719 -25.705 -9.441 1.00 13.25 H new ATOM 0 HA ASP A 802 -3.952 -28.558 -9.297 1.00 22.43 H new ATOM 0 HB2 ASP A 802 -2.342 -26.106 -10.047 1.00 43.45 H new ATOM 0 HB3 ASP A 802 -1.563 -27.525 -9.377 1.00 43.45 H new ATOM 171 N LYS A 803 -2.368 -27.826 -7.167 1.00 2.10 N ATOM 172 CA LYS A 803 -1.987 -27.630 -5.778 1.00 53.34 C ATOM 173 C LYS A 803 -1.929 -26.131 -5.477 1.00 44.21 C ATOM 174 O LYS A 803 -2.139 -25.307 -6.366 1.00 1.33 O ATOM 175 CB LYS A 803 -0.685 -28.370 -5.470 1.00 65.40 C ATOM 176 CG LYS A 803 -0.930 -29.873 -5.321 1.00 34.20 C ATOM 177 CD LYS A 803 -0.192 -30.660 -6.406 1.00 54.22 C ATOM 178 CE LYS A 803 0.265 -32.022 -5.881 1.00 2.13 C ATOM 179 NZ LYS A 803 0.819 -32.842 -6.981 1.00 23.31 N ATOM 0 H LYS A 803 -1.769 -28.467 -7.687 1.00 2.10 H new ATOM 0 HA LYS A 803 -2.736 -28.061 -5.113 1.00 53.34 H new ATOM 0 HB2 LYS A 803 0.036 -28.193 -6.268 1.00 65.40 H new ATOM 0 HB3 LYS A 803 -0.247 -27.977 -4.552 1.00 65.40 H new ATOM 0 HG2 LYS A 803 -0.597 -30.203 -4.337 1.00 34.20 H new ATOM 0 HG3 LYS A 803 -1.999 -30.078 -5.381 1.00 34.20 H new ATOM 0 HD2 LYS A 803 -0.845 -30.799 -7.267 1.00 54.22 H new ATOM 0 HD3 LYS A 803 0.671 -30.090 -6.750 1.00 54.22 H new ATOM 0 HE2 LYS A 803 1.019 -31.885 -5.106 1.00 2.13 H new ATOM 0 HE3 LYS A 803 -0.575 -32.541 -5.420 1.00 2.13 H new ATOM 0 HZ1 LYS A 803 1.124 -33.763 -6.607 1.00 23.31 H new ATOM 0 HZ2 LYS A 803 0.089 -32.988 -7.707 1.00 23.31 H new ATOM 0 HZ3 LYS A 803 1.634 -32.352 -7.403 1.00 23.31 H new ATOM 192 N GLU A 804 -1.642 -25.823 -4.221 1.00 2.02 N ATOM 193 CA GLU A 804 -1.553 -24.438 -3.791 1.00 42.32 C ATOM 194 C GLU A 804 -0.934 -24.354 -2.394 1.00 41.25 C ATOM 195 O GLU A 804 -1.499 -24.865 -1.429 1.00 74.33 O ATOM 196 CB GLU A 804 -2.926 -23.764 -3.824 1.00 31.33 C ATOM 197 CG GLU A 804 -4.018 -24.723 -3.345 1.00 13.11 C ATOM 198 CD GLU A 804 -5.405 -24.096 -3.502 1.00 33.13 C ATOM 199 OE1 GLU A 804 -6.365 -24.545 -2.857 1.00 2.42 O ATOM 200 OE2 GLU A 804 -5.466 -23.107 -4.328 1.00 34.31 O ATOM 0 H GLU A 804 -1.468 -26.509 -3.487 1.00 2.02 H new ATOM 0 HA GLU A 804 -0.906 -23.903 -4.486 1.00 42.32 H new ATOM 0 HB2 GLU A 804 -2.914 -22.876 -3.193 1.00 31.33 H new ATOM 0 HB3 GLU A 804 -3.148 -23.432 -4.838 1.00 31.33 H new ATOM 0 HG2 GLU A 804 -3.968 -25.651 -3.915 1.00 13.11 H new ATOM 0 HG3 GLU A 804 -3.848 -24.981 -2.300 1.00 13.11 H new ATOM 208 N ASN A 805 0.220 -23.705 -2.331 1.00 55.11 N ATOM 209 CA ASN A 805 0.921 -23.547 -1.069 1.00 23.54 C ATOM 210 C ASN A 805 0.182 -22.525 -0.203 1.00 71.21 C ATOM 211 O ASN A 805 -0.389 -21.566 -0.720 1.00 32.20 O ATOM 212 CB ASN A 805 2.346 -23.037 -1.290 1.00 42.55 C ATOM 213 CG ASN A 805 2.890 -22.364 -0.029 1.00 2.15 C ATOM 214 OD1 ASN A 805 3.342 -21.231 -0.043 1.00 45.25 O ATOM 215 ND2 ASN A 805 2.822 -23.123 1.061 1.00 15.25 N ATOM 0 H ASN A 805 0.686 -23.283 -3.134 1.00 55.11 H new ATOM 0 HA ASN A 805 0.958 -24.521 -0.581 1.00 23.54 H new ATOM 0 HB2 ASN A 805 2.994 -23.867 -1.571 1.00 42.55 H new ATOM 0 HB3 ASN A 805 2.358 -22.329 -2.118 1.00 42.55 H new ATOM 0 HD21 ASN A 805 3.160 -22.764 1.954 1.00 15.25 H new ATOM 0 HD22 ASN A 805 2.432 -24.064 1.004 1.00 15.25 H new ATOM 222 N LYS A 806 0.216 -22.765 1.099 1.00 24.05 N ATOM 223 CA LYS A 806 -0.443 -21.877 2.042 1.00 74.23 C ATOM 224 C LYS A 806 0.570 -21.406 3.087 1.00 52.33 C ATOM 225 O LYS A 806 1.488 -22.143 3.443 1.00 40.50 O ATOM 226 CB LYS A 806 -1.677 -22.555 2.643 1.00 43.54 C ATOM 227 CG LYS A 806 -2.123 -21.845 3.922 1.00 13.53 C ATOM 228 CD LYS A 806 -3.630 -22.002 4.139 1.00 3.23 C ATOM 229 CE LYS A 806 -3.964 -23.396 4.674 1.00 50.23 C ATOM 230 NZ LYS A 806 -5.238 -23.370 5.427 1.00 60.54 N ATOM 0 H LYS A 806 0.690 -23.562 1.524 1.00 24.05 H new ATOM 0 HA LYS A 806 -0.812 -20.987 1.533 1.00 74.23 H new ATOM 0 HB2 LYS A 806 -2.490 -22.549 1.917 1.00 43.54 H new ATOM 0 HB3 LYS A 806 -1.453 -23.599 2.861 1.00 43.54 H new ATOM 0 HG2 LYS A 806 -1.584 -22.255 4.776 1.00 13.53 H new ATOM 0 HG3 LYS A 806 -1.869 -20.787 3.862 1.00 13.53 H new ATOM 0 HD2 LYS A 806 -3.981 -21.245 4.841 1.00 3.23 H new ATOM 0 HD3 LYS A 806 -4.156 -21.833 3.199 1.00 3.23 H new ATOM 0 HE2 LYS A 806 -4.038 -24.102 3.846 1.00 50.23 H new ATOM 0 HE3 LYS A 806 -3.159 -23.746 5.321 1.00 50.23 H new ATOM 0 HZ1 LYS A 806 -5.172 -24.011 6.243 1.00 60.54 H new ATOM 0 HZ2 LYS A 806 -5.425 -22.403 5.760 1.00 60.54 H new ATOM 0 HZ3 LYS A 806 -6.014 -23.678 4.807 1.00 60.54 H new ATOM 243 N LYS A 807 0.369 -20.180 3.549 1.00 74.33 N ATOM 244 CA LYS A 807 1.253 -19.602 4.546 1.00 42.23 C ATOM 245 C LYS A 807 0.642 -19.792 5.935 1.00 20.24 C ATOM 246 O LYS A 807 -0.575 -19.904 6.072 1.00 33.20 O ATOM 247 CB LYS A 807 1.563 -18.143 4.205 1.00 42.21 C ATOM 248 CG LYS A 807 2.338 -17.468 5.338 1.00 0.35 C ATOM 249 CD LYS A 807 2.623 -16.001 5.010 1.00 10.31 C ATOM 250 CE LYS A 807 3.045 -15.838 3.549 1.00 61.15 C ATOM 251 NZ LYS A 807 3.603 -14.487 3.317 1.00 12.24 N ATOM 0 H LYS A 807 -0.393 -19.571 3.251 1.00 74.33 H new ATOM 0 HA LYS A 807 2.214 -20.117 4.547 1.00 42.23 H new ATOM 0 HB2 LYS A 807 2.144 -18.097 3.284 1.00 42.21 H new ATOM 0 HB3 LYS A 807 0.634 -17.603 4.023 1.00 42.21 H new ATOM 0 HG2 LYS A 807 1.766 -17.533 6.264 1.00 0.35 H new ATOM 0 HG3 LYS A 807 3.277 -17.996 5.506 1.00 0.35 H new ATOM 0 HD2 LYS A 807 1.733 -15.402 5.204 1.00 10.31 H new ATOM 0 HD3 LYS A 807 3.410 -15.625 5.664 1.00 10.31 H new ATOM 0 HE2 LYS A 807 3.788 -16.593 3.293 1.00 61.15 H new ATOM 0 HE3 LYS A 807 2.187 -16.000 2.896 1.00 61.15 H new ATOM 0 HZ1 LYS A 807 3.884 -14.394 2.320 1.00 12.24 H new ATOM 0 HZ2 LYS A 807 2.883 -13.771 3.542 1.00 12.24 H new ATOM 0 HZ3 LYS A 807 4.434 -14.345 3.926 1.00 12.24 H new ATOM 264 N LEU A 808 1.515 -19.823 6.932 1.00 70.15 N ATOM 265 CA LEU A 808 1.076 -19.998 8.306 1.00 65.02 C ATOM 266 C LEU A 808 1.568 -18.819 9.147 1.00 0.34 C ATOM 267 O LEU A 808 2.546 -18.163 8.792 1.00 23.03 O ATOM 268 CB LEU A 808 1.519 -21.362 8.840 1.00 43.31 C ATOM 269 CG LEU A 808 0.912 -22.583 8.147 1.00 61.05 C ATOM 270 CD1 LEU A 808 1.776 -23.028 6.965 1.00 55.15 C ATOM 271 CD2 LEU A 808 0.677 -23.719 9.144 1.00 74.11 C ATOM 0 H LEU A 808 2.524 -19.730 6.815 1.00 70.15 H new ATOM 0 HA LEU A 808 -0.013 -19.998 8.362 1.00 65.02 H new ATOM 0 HB2 LEU A 808 2.604 -21.426 8.760 1.00 43.31 H new ATOM 0 HB3 LEU A 808 1.274 -21.412 9.901 1.00 43.31 H new ATOM 0 HG LEU A 808 -0.061 -22.300 7.746 1.00 61.05 H new ATOM 0 HD11 LEU A 808 1.322 -23.898 6.490 1.00 55.15 H new ATOM 0 HD12 LEU A 808 1.849 -22.216 6.242 1.00 55.15 H new ATOM 0 HD13 LEU A 808 2.773 -23.288 7.321 1.00 55.15 H new ATOM 0 HD21 LEU A 808 0.245 -24.575 8.625 1.00 74.11 H new ATOM 0 HD22 LEU A 808 1.626 -24.009 9.595 1.00 74.11 H new ATOM 0 HD23 LEU A 808 -0.008 -23.384 9.923 1.00 74.11 H new ATOM 283 N LEU A 809 0.867 -18.585 10.247 1.00 52.20 N ATOM 284 CA LEU A 809 1.220 -17.496 11.142 1.00 14.11 C ATOM 285 C LEU A 809 1.197 -18.001 12.586 1.00 13.22 C ATOM 286 O LEU A 809 0.702 -19.094 12.858 1.00 42.14 O ATOM 287 CB LEU A 809 0.314 -16.287 10.899 1.00 74.33 C ATOM 288 CG LEU A 809 0.859 -15.221 9.946 1.00 30.14 C ATOM 289 CD1 LEU A 809 0.662 -15.637 8.487 1.00 2.13 C ATOM 290 CD2 LEU A 809 0.239 -13.854 10.241 1.00 1.23 C ATOM 0 H LEU A 809 0.056 -19.131 10.539 1.00 52.20 H new ATOM 0 HA LEU A 809 2.234 -17.151 10.940 1.00 14.11 H new ATOM 0 HB2 LEU A 809 -0.638 -16.644 10.506 1.00 74.33 H new ATOM 0 HB3 LEU A 809 0.106 -15.815 11.859 1.00 74.33 H new ATOM 0 HG LEU A 809 1.932 -15.131 10.112 1.00 30.14 H new ATOM 0 HD11 LEU A 809 1.058 -14.862 7.831 1.00 2.13 H new ATOM 0 HD12 LEU A 809 1.188 -16.573 8.301 1.00 2.13 H new ATOM 0 HD13 LEU A 809 -0.401 -15.773 8.288 1.00 2.13 H new ATOM 0 HD21 LEU A 809 0.643 -13.114 9.550 1.00 1.23 H new ATOM 0 HD22 LEU A 809 -0.843 -13.911 10.119 1.00 1.23 H new ATOM 0 HD23 LEU A 809 0.474 -13.561 11.264 1.00 1.23 H new ATOM 302 N CYS A 810 1.738 -17.181 13.475 1.00 51.42 N ATOM 303 CA CYS A 810 1.786 -17.530 14.884 1.00 32.33 C ATOM 304 C CYS A 810 0.719 -16.715 15.618 1.00 71.30 C ATOM 305 O CYS A 810 0.871 -15.509 15.801 1.00 44.41 O ATOM 306 CB CYS A 810 3.180 -17.309 15.475 1.00 13.20 C ATOM 307 SG CYS A 810 3.584 -18.655 16.647 1.00 12.21 S ATOM 0 H CYS A 810 2.147 -16.275 13.246 1.00 51.42 H new ATOM 0 HA CYS A 810 1.577 -18.593 15.005 1.00 32.33 H new ATOM 0 HB2 CYS A 810 3.921 -17.276 14.677 1.00 13.20 H new ATOM 0 HB3 CYS A 810 3.219 -16.347 15.986 1.00 13.20 H new ATOM 0 HG CYS A 810 4.827 -19.004 16.496 1.00 12.21 H new ATOM 313 N ARG A 811 -0.337 -17.407 16.018 1.00 35.54 N ATOM 314 CA ARG A 811 -1.429 -16.763 16.728 1.00 14.10 C ATOM 315 C ARG A 811 -0.882 -15.786 17.771 1.00 63.33 C ATOM 316 O ARG A 811 -1.549 -14.818 18.130 1.00 12.31 O ATOM 317 CB ARG A 811 -2.319 -17.795 17.424 1.00 53.13 C ATOM 318 CG ARG A 811 -3.374 -17.111 18.295 1.00 11.55 C ATOM 319 CD ARG A 811 -4.536 -18.060 18.597 1.00 4.44 C ATOM 320 NE ARG A 811 -5.360 -17.516 19.700 1.00 51.24 N ATOM 321 CZ ARG A 811 -6.226 -16.489 19.562 1.00 72.43 C ATOM 322 NH1 ARG A 811 -6.388 -15.886 18.365 1.00 13.20 N ATOM 323 NH2 ARG A 811 -6.912 -16.085 20.614 1.00 1.35 N ATOM 0 H ARG A 811 -0.460 -18.408 15.864 1.00 35.54 H new ATOM 0 HA ARG A 811 -2.026 -16.221 15.995 1.00 14.10 H new ATOM 0 HB2 ARG A 811 -2.809 -18.421 16.678 1.00 53.13 H new ATOM 0 HB3 ARG A 811 -1.706 -18.453 18.039 1.00 53.13 H new ATOM 0 HG2 ARG A 811 -2.920 -16.778 19.228 1.00 11.55 H new ATOM 0 HG3 ARG A 811 -3.749 -16.222 17.788 1.00 11.55 H new ATOM 0 HD2 ARG A 811 -5.149 -18.193 17.706 1.00 4.44 H new ATOM 0 HD3 ARG A 811 -4.152 -19.043 18.869 1.00 4.44 H new ATOM 0 HE ARG A 811 -5.268 -17.943 20.622 1.00 51.24 H new ATOM 0 HH11 ARG A 811 -5.854 -16.206 17.557 1.00 13.20 H new ATOM 0 HH12 ARG A 811 -7.044 -15.111 18.269 1.00 13.20 H new ATOM 0 HH21 ARG A 811 -6.784 -16.547 21.514 1.00 1.35 H new ATOM 0 HH22 ARG A 811 -7.570 -15.311 20.527 1.00 1.35 H new ATOM 336 N LYS A 812 0.328 -16.075 18.227 1.00 2.11 N ATOM 337 CA LYS A 812 0.973 -15.234 19.221 1.00 21.13 C ATOM 338 C LYS A 812 0.779 -13.764 18.843 1.00 31.35 C ATOM 339 O LYS A 812 -0.086 -13.087 19.396 1.00 0.43 O ATOM 340 CB LYS A 812 2.439 -15.636 19.393 1.00 23.44 C ATOM 341 CG LYS A 812 2.621 -16.536 20.617 1.00 31.43 C ATOM 342 CD LYS A 812 1.696 -17.753 20.545 1.00 12.14 C ATOM 343 CE LYS A 812 2.377 -18.918 19.825 1.00 42.01 C ATOM 344 NZ LYS A 812 1.408 -19.634 18.965 1.00 1.32 N ATOM 0 H LYS A 812 0.878 -16.879 17.927 1.00 2.11 H new ATOM 0 HA LYS A 812 0.511 -15.376 20.198 1.00 21.13 H new ATOM 0 HB2 LYS A 812 2.784 -16.157 18.500 1.00 23.44 H new ATOM 0 HB3 LYS A 812 3.055 -14.743 19.499 1.00 23.44 H new ATOM 0 HG2 LYS A 812 3.658 -16.866 20.679 1.00 31.43 H new ATOM 0 HG3 LYS A 812 2.412 -15.969 21.524 1.00 31.43 H new ATOM 0 HD2 LYS A 812 1.413 -18.059 21.552 1.00 12.14 H new ATOM 0 HD3 LYS A 812 0.777 -17.485 20.023 1.00 12.14 H new ATOM 0 HE2 LYS A 812 3.204 -18.546 19.220 1.00 42.01 H new ATOM 0 HE3 LYS A 812 2.802 -19.606 20.556 1.00 42.01 H new ATOM 0 HZ1 LYS A 812 1.314 -20.617 19.292 1.00 1.32 H new ATOM 0 HZ2 LYS A 812 0.483 -19.162 19.017 1.00 1.32 H new ATOM 0 HZ3 LYS A 812 1.746 -19.627 17.981 1.00 1.32 H new ATOM 357 N CYS A 813 1.598 -13.315 17.904 1.00 0.31 N ATOM 358 CA CYS A 813 1.527 -11.938 17.446 1.00 42.31 C ATOM 359 C CYS A 813 1.100 -11.942 15.977 1.00 55.40 C ATOM 360 O CYS A 813 1.308 -10.961 15.264 1.00 73.45 O ATOM 361 CB CYS A 813 2.854 -11.204 17.652 1.00 31.01 C ATOM 362 SG CYS A 813 2.578 -9.395 17.637 1.00 34.12 S ATOM 0 H CYS A 813 2.314 -13.880 17.448 1.00 0.31 H new ATOM 0 HA CYS A 813 0.790 -11.393 18.036 1.00 42.31 H new ATOM 0 HB2 CYS A 813 3.302 -11.504 18.600 1.00 31.01 H new ATOM 0 HB3 CYS A 813 3.557 -11.479 16.866 1.00 31.01 H new ATOM 0 HG CYS A 813 1.855 -9.075 16.605 1.00 34.12 H new ATOM 368 N LYS A 814 0.509 -13.055 15.569 1.00 65.35 N ATOM 369 CA LYS A 814 0.051 -13.200 14.197 1.00 13.34 C ATOM 370 C LYS A 814 1.185 -12.823 13.242 1.00 11.33 C ATOM 371 O LYS A 814 1.109 -11.807 12.553 1.00 72.04 O ATOM 372 CB LYS A 814 -1.233 -12.398 13.975 1.00 50.43 C ATOM 373 CG LYS A 814 -2.087 -12.367 15.244 1.00 53.44 C ATOM 374 CD LYS A 814 -2.430 -13.783 15.709 1.00 65.51 C ATOM 375 CE LYS A 814 -3.140 -14.567 14.604 1.00 54.25 C ATOM 376 NZ LYS A 814 -2.172 -15.396 13.851 1.00 35.14 N ATOM 0 H LYS A 814 0.336 -13.865 16.164 1.00 65.35 H new ATOM 0 HA LYS A 814 -0.208 -14.238 13.989 1.00 13.34 H new ATOM 0 HB2 LYS A 814 -0.983 -11.380 13.676 1.00 50.43 H new ATOM 0 HB3 LYS A 814 -1.805 -12.839 13.158 1.00 50.43 H new ATOM 0 HG2 LYS A 814 -1.551 -11.841 16.034 1.00 53.44 H new ATOM 0 HG3 LYS A 814 -3.005 -11.810 15.055 1.00 53.44 H new ATOM 0 HD2 LYS A 814 -1.518 -14.304 16.001 1.00 65.51 H new ATOM 0 HD3 LYS A 814 -3.067 -13.735 16.592 1.00 65.51 H new ATOM 0 HE2 LYS A 814 -3.911 -15.203 15.039 1.00 54.25 H new ATOM 0 HE3 LYS A 814 -3.642 -13.877 13.926 1.00 54.25 H new ATOM 0 HZ1 LYS A 814 -2.649 -16.248 13.493 1.00 35.14 H new ATOM 0 HZ2 LYS A 814 -1.794 -14.849 13.051 1.00 35.14 H new ATOM 0 HZ3 LYS A 814 -1.391 -15.675 14.479 1.00 35.14 H new ATOM 389 N ALA A 815 2.211 -13.661 13.232 1.00 33.25 N ATOM 390 CA ALA A 815 3.359 -13.429 12.373 1.00 2.34 C ATOM 391 C ALA A 815 3.725 -14.729 11.655 1.00 31.20 C ATOM 392 O ALA A 815 3.505 -15.818 12.184 1.00 1.30 O ATOM 393 CB ALA A 815 4.518 -12.878 13.207 1.00 15.24 C ATOM 0 H ALA A 815 2.271 -14.502 13.806 1.00 33.25 H new ATOM 0 HA ALA A 815 3.123 -12.686 11.611 1.00 2.34 H new ATOM 0 HB1 ALA A 815 5.380 -12.704 12.562 1.00 15.24 H new ATOM 0 HB2 ALA A 815 4.217 -11.939 13.672 1.00 15.24 H new ATOM 0 HB3 ALA A 815 4.784 -13.598 13.981 1.00 15.24 H new ATOM 399 N LEU A 816 4.277 -14.573 10.461 1.00 73.03 N ATOM 400 CA LEU A 816 4.675 -15.721 9.664 1.00 30.33 C ATOM 401 C LEU A 816 5.297 -16.779 10.578 1.00 31.21 C ATOM 402 O LEU A 816 6.123 -16.459 11.431 1.00 21.44 O ATOM 403 CB LEU A 816 5.588 -15.286 8.516 1.00 23.54 C ATOM 404 CG LEU A 816 6.255 -16.414 7.726 1.00 73.05 C ATOM 405 CD1 LEU A 816 7.432 -17.007 8.502 1.00 41.20 C ATOM 406 CD2 LEU A 816 5.234 -17.482 7.328 1.00 22.41 C ATOM 0 H LEU A 816 4.458 -13.668 10.026 1.00 73.03 H new ATOM 0 HA LEU A 816 3.805 -16.178 9.192 1.00 30.33 H new ATOM 0 HB2 LEU A 816 5.004 -14.680 7.823 1.00 23.54 H new ATOM 0 HB3 LEU A 816 6.369 -14.643 8.922 1.00 23.54 H new ATOM 0 HG LEU A 816 6.658 -15.993 6.805 1.00 73.05 H new ATOM 0 HD11 LEU A 816 7.887 -17.806 7.917 1.00 41.20 H new ATOM 0 HD12 LEU A 816 8.172 -16.229 8.691 1.00 41.20 H new ATOM 0 HD13 LEU A 816 7.077 -17.409 9.451 1.00 41.20 H new ATOM 0 HD21 LEU A 816 5.734 -18.272 6.768 1.00 22.41 H new ATOM 0 HD22 LEU A 816 4.781 -17.904 8.225 1.00 22.41 H new ATOM 0 HD23 LEU A 816 4.459 -17.031 6.708 1.00 22.41 H new ATOM 418 N ALA A 817 4.876 -18.018 10.368 1.00 11.22 N ATOM 419 CA ALA A 817 5.381 -19.125 11.162 1.00 2.34 C ATOM 420 C ALA A 817 6.099 -20.118 10.246 1.00 3.25 C ATOM 421 O ALA A 817 7.221 -20.533 10.533 1.00 21.03 O ATOM 422 CB ALA A 817 4.227 -19.770 11.931 1.00 32.43 C ATOM 0 H ALA A 817 4.191 -18.279 9.659 1.00 11.22 H new ATOM 0 HA ALA A 817 6.105 -18.772 11.897 1.00 2.34 H new ATOM 0 HB1 ALA A 817 4.606 -20.601 12.527 1.00 32.43 H new ATOM 0 HB2 ALA A 817 3.770 -19.031 12.589 1.00 32.43 H new ATOM 0 HB3 ALA A 817 3.482 -20.139 11.227 1.00 32.43 H new ATOM 428 N CYS A 818 5.423 -20.470 9.163 1.00 62.01 N ATOM 429 CA CYS A 818 5.983 -21.407 8.203 1.00 14.41 C ATOM 430 C CYS A 818 4.995 -21.553 7.043 1.00 25.25 C ATOM 431 O CYS A 818 3.996 -20.839 6.980 1.00 30.04 O ATOM 432 CB CYS A 818 6.306 -22.754 8.851 1.00 65.42 C ATOM 433 SG CYS A 818 4.968 -23.233 10.003 1.00 54.11 S ATOM 0 H CYS A 818 4.493 -20.124 8.928 1.00 62.01 H new ATOM 0 HA CYS A 818 6.931 -21.023 7.826 1.00 14.41 H new ATOM 0 HB2 CYS A 818 6.425 -23.517 8.082 1.00 65.42 H new ATOM 0 HB3 CYS A 818 7.253 -22.691 9.387 1.00 65.42 H new ATOM 0 HG CYS A 818 4.976 -22.439 11.032 1.00 54.11 H new ATOM 439 N TYR A 819 5.310 -22.484 6.154 1.00 2.34 N ATOM 440 CA TYR A 819 4.463 -22.733 5.000 1.00 23.03 C ATOM 441 C TYR A 819 3.991 -24.188 4.971 1.00 71.01 C ATOM 442 O TYR A 819 4.724 -25.091 5.372 1.00 42.33 O ATOM 443 CB TYR A 819 5.336 -22.468 3.772 1.00 52.42 C ATOM 444 CG TYR A 819 5.622 -20.986 3.520 1.00 54.10 C ATOM 445 CD1 TYR A 819 6.588 -20.334 4.259 1.00 34.02 C ATOM 446 CD2 TYR A 819 4.913 -20.301 2.553 1.00 3.04 C ATOM 447 CE1 TYR A 819 6.857 -18.939 4.022 1.00 35.42 C ATOM 448 CE2 TYR A 819 5.182 -18.906 2.316 1.00 23.43 C ATOM 449 CZ TYR A 819 6.141 -18.294 3.062 1.00 34.45 C ATOM 450 OH TYR A 819 6.395 -16.977 2.839 1.00 74.24 O ATOM 0 H TYR A 819 6.140 -23.075 6.210 1.00 2.34 H new ATOM 0 HA TYR A 819 3.578 -22.098 5.029 1.00 23.03 H new ATOM 0 HB2 TYR A 819 6.283 -22.995 3.891 1.00 52.42 H new ATOM 0 HB3 TYR A 819 4.846 -22.888 2.893 1.00 52.42 H new ATOM 0 HD1 TYR A 819 7.142 -20.870 5.015 1.00 34.02 H new ATOM 0 HD2 TYR A 819 4.157 -20.811 1.975 1.00 3.04 H new ATOM 0 HE1 TYR A 819 7.610 -18.417 4.594 1.00 35.42 H new ATOM 0 HE2 TYR A 819 4.635 -18.358 1.563 1.00 23.43 H new ATOM 0 HH TYR A 819 5.810 -16.647 2.125 1.00 74.24 H new ATOM 460 N THR A 820 2.769 -24.370 4.493 1.00 70.55 N ATOM 461 CA THR A 820 2.190 -25.700 4.406 1.00 61.44 C ATOM 462 C THR A 820 3.002 -26.574 3.447 1.00 1.22 C ATOM 463 O THR A 820 2.985 -27.799 3.552 1.00 34.23 O ATOM 464 CB THR A 820 0.723 -25.552 3.997 1.00 2.23 C ATOM 465 OG1 THR A 820 0.089 -26.699 4.557 1.00 41.40 O ATOM 466 CG2 THR A 820 0.516 -25.710 2.490 1.00 60.14 C ATOM 0 H THR A 820 2.164 -23.619 4.162 1.00 70.55 H new ATOM 0 HA THR A 820 2.224 -26.209 5.369 1.00 61.44 H new ATOM 0 HB THR A 820 0.355 -24.576 4.313 1.00 2.23 H new ATOM 0 HG1 THR A 820 0.271 -27.481 3.994 1.00 41.40 H new ATOM 0 HG21 THR A 820 -0.542 -25.596 2.254 1.00 60.14 H new ATOM 0 HG22 THR A 820 1.090 -24.948 1.962 1.00 60.14 H new ATOM 0 HG23 THR A 820 0.853 -26.699 2.178 1.00 60.14 H new ATOM 474 N ALA A 821 3.695 -25.909 2.534 1.00 14.22 N ATOM 475 CA ALA A 821 4.512 -26.609 1.558 1.00 74.13 C ATOM 476 C ALA A 821 5.783 -27.121 2.237 1.00 64.23 C ATOM 477 O ALA A 821 6.596 -27.800 1.610 1.00 12.31 O ATOM 478 CB ALA A 821 4.813 -25.678 0.382 1.00 51.31 C ATOM 0 H ALA A 821 3.707 -24.893 2.450 1.00 14.22 H new ATOM 0 HA ALA A 821 3.980 -27.473 1.161 1.00 74.13 H new ATOM 0 HB1 ALA A 821 5.426 -26.203 -0.350 1.00 51.31 H new ATOM 0 HB2 ALA A 821 3.878 -25.367 -0.084 1.00 51.31 H new ATOM 0 HB3 ALA A 821 5.350 -24.800 0.741 1.00 51.31 H new ATOM 484 N ASP A 822 5.917 -26.777 3.509 1.00 15.41 N ATOM 485 CA ASP A 822 7.076 -27.193 4.280 1.00 53.11 C ATOM 486 C ASP A 822 6.609 -27.875 5.567 1.00 15.14 C ATOM 487 O ASP A 822 7.424 -28.234 6.415 1.00 2.43 O ATOM 488 CB ASP A 822 7.940 -25.991 4.668 1.00 34.40 C ATOM 489 CG ASP A 822 8.822 -25.440 3.546 1.00 12.12 C ATOM 490 OD1 ASP A 822 9.561 -24.463 3.737 1.00 40.31 O ATOM 491 OD2 ASP A 822 8.728 -26.065 2.422 1.00 41.03 O ATOM 0 H ASP A 822 5.241 -26.214 4.026 1.00 15.41 H new ATOM 0 HA ASP A 822 7.663 -27.875 3.665 1.00 53.11 H new ATOM 0 HB2 ASP A 822 7.288 -25.193 5.022 1.00 34.40 H new ATOM 0 HB3 ASP A 822 8.578 -26.276 5.505 1.00 34.40 H new ATOM 497 N VAL A 823 5.297 -28.033 5.673 1.00 24.30 N ATOM 498 CA VAL A 823 4.712 -28.666 6.843 1.00 52.12 C ATOM 499 C VAL A 823 4.370 -30.120 6.513 1.00 20.43 C ATOM 500 O VAL A 823 3.639 -30.390 5.561 1.00 11.34 O ATOM 501 CB VAL A 823 3.502 -27.861 7.322 1.00 31.43 C ATOM 502 CG1 VAL A 823 2.228 -28.306 6.602 1.00 35.00 C ATOM 503 CG2 VAL A 823 3.340 -27.967 8.840 1.00 74.41 C ATOM 0 H VAL A 823 4.623 -27.734 4.968 1.00 24.30 H new ATOM 0 HA VAL A 823 5.425 -28.679 7.668 1.00 52.12 H new ATOM 0 HB VAL A 823 3.677 -26.814 7.076 1.00 31.43 H new ATOM 0 HG11 VAL A 823 1.383 -27.718 6.961 1.00 35.00 H new ATOM 0 HG12 VAL A 823 2.345 -28.155 5.529 1.00 35.00 H new ATOM 0 HG13 VAL A 823 2.047 -29.362 6.803 1.00 35.00 H new ATOM 0 HG21 VAL A 823 2.473 -27.386 9.155 1.00 74.41 H new ATOM 0 HG22 VAL A 823 3.198 -29.011 9.119 1.00 74.41 H new ATOM 0 HG23 VAL A 823 4.234 -27.579 9.329 1.00 74.41 H new ATOM 513 N ARG A 824 4.915 -31.020 7.319 1.00 43.02 N ATOM 514 CA ARG A 824 4.677 -32.440 7.125 1.00 63.23 C ATOM 515 C ARG A 824 4.602 -33.155 8.475 1.00 34.13 C ATOM 516 O ARG A 824 5.510 -33.037 9.296 1.00 65.53 O ATOM 517 CB ARG A 824 5.785 -33.074 6.281 1.00 23.13 C ATOM 518 CG ARG A 824 6.251 -32.119 5.181 1.00 41.23 C ATOM 519 CD ARG A 824 5.177 -31.959 4.103 1.00 43.04 C ATOM 520 NE ARG A 824 5.499 -32.812 2.937 1.00 24.20 N ATOM 521 CZ ARG A 824 6.635 -32.709 2.215 1.00 61.25 C ATOM 522 NH1 ARG A 824 7.568 -31.787 2.533 1.00 63.04 N ATOM 523 NH2 ARG A 824 6.819 -33.524 1.192 1.00 4.32 N ATOM 0 H ARG A 824 5.521 -30.793 8.108 1.00 43.02 H new ATOM 0 HA ARG A 824 3.728 -32.548 6.599 1.00 63.23 H new ATOM 0 HB2 ARG A 824 6.628 -33.337 6.920 1.00 23.13 H new ATOM 0 HB3 ARG A 824 5.422 -34.000 5.834 1.00 23.13 H new ATOM 0 HG2 ARG A 824 6.485 -31.146 5.614 1.00 41.23 H new ATOM 0 HG3 ARG A 824 7.169 -32.497 4.731 1.00 41.23 H new ATOM 0 HD2 ARG A 824 4.202 -32.233 4.506 1.00 43.04 H new ATOM 0 HD3 ARG A 824 5.113 -30.916 3.794 1.00 43.04 H new ATOM 0 HE ARG A 824 4.820 -33.522 2.662 1.00 24.20 H new ATOM 0 HH11 ARG A 824 7.418 -31.161 3.324 1.00 63.04 H new ATOM 0 HH12 ARG A 824 8.423 -31.716 1.982 1.00 63.04 H new ATOM 0 HH21 ARG A 824 6.108 -34.217 0.958 1.00 4.32 H new ATOM 0 HH22 ARG A 824 7.672 -33.460 0.636 1.00 4.32 H new ATOM 536 N VAL A 825 3.509 -33.881 8.664 1.00 2.44 N ATOM 537 CA VAL A 825 3.303 -34.614 9.901 1.00 20.45 C ATOM 538 C VAL A 825 4.115 -35.911 9.862 1.00 53.24 C ATOM 539 O VAL A 825 4.282 -36.510 8.801 1.00 72.43 O ATOM 540 CB VAL A 825 1.808 -34.852 10.126 1.00 3.44 C ATOM 541 CG1 VAL A 825 1.115 -33.572 10.597 1.00 11.41 C ATOM 542 CG2 VAL A 825 1.144 -35.402 8.863 1.00 64.23 C ATOM 0 H VAL A 825 2.757 -33.977 7.981 1.00 2.44 H new ATOM 0 HA VAL A 825 3.658 -34.033 10.752 1.00 20.45 H new ATOM 0 HB VAL A 825 1.702 -35.600 10.912 1.00 3.44 H new ATOM 0 HG11 VAL A 825 0.054 -33.768 10.750 1.00 11.41 H new ATOM 0 HG12 VAL A 825 1.561 -33.240 11.535 1.00 11.41 H new ATOM 0 HG13 VAL A 825 1.236 -32.794 9.843 1.00 11.41 H new ATOM 0 HG21 VAL A 825 0.082 -35.562 9.050 1.00 64.23 H new ATOM 0 HG22 VAL A 825 1.265 -34.688 8.048 1.00 64.23 H new ATOM 0 HG23 VAL A 825 1.611 -36.348 8.589 1.00 64.23 H new ATOM 552 N ILE A 826 4.598 -36.305 11.031 1.00 74.23 N ATOM 553 CA ILE A 826 5.388 -37.519 11.143 1.00 72.52 C ATOM 554 C ILE A 826 4.462 -38.698 11.450 1.00 23.43 C ATOM 555 O ILE A 826 4.309 -39.087 12.607 1.00 2.33 O ATOM 556 CB ILE A 826 6.510 -37.336 12.166 1.00 3.30 C ATOM 557 CG1 ILE A 826 7.693 -36.582 11.553 1.00 32.43 C ATOM 558 CG2 ILE A 826 6.934 -38.679 12.763 1.00 73.54 C ATOM 559 CD1 ILE A 826 8.207 -35.501 12.506 1.00 22.40 C ATOM 0 H ILE A 826 4.457 -35.805 11.909 1.00 74.23 H new ATOM 0 HA ILE A 826 5.883 -37.740 10.198 1.00 72.52 H new ATOM 0 HB ILE A 826 6.128 -36.727 12.985 1.00 3.30 H new ATOM 0 HG12 ILE A 826 8.496 -37.282 11.325 1.00 32.43 H new ATOM 0 HG13 ILE A 826 7.390 -36.127 10.610 1.00 32.43 H new ATOM 0 HG21 ILE A 826 7.733 -38.519 13.487 1.00 73.54 H new ATOM 0 HG22 ILE A 826 6.081 -39.142 13.260 1.00 73.54 H new ATOM 0 HG23 ILE A 826 7.290 -39.334 11.968 1.00 73.54 H new ATOM 0 HD11 ILE A 826 9.047 -34.980 12.046 1.00 22.40 H new ATOM 0 HD12 ILE A 826 7.408 -34.789 12.713 1.00 22.40 H new ATOM 0 HD13 ILE A 826 8.532 -35.963 13.438 1.00 22.40 H new ATOM 571 N GLU A 827 3.869 -39.235 10.394 1.00 42.10 N ATOM 572 CA GLU A 827 2.963 -40.362 10.537 1.00 51.35 C ATOM 573 C GLU A 827 1.710 -39.941 11.308 1.00 63.11 C ATOM 574 O GLU A 827 1.161 -40.724 12.081 1.00 73.52 O ATOM 575 CB GLU A 827 3.658 -41.541 11.220 1.00 35.01 C ATOM 576 CG GLU A 827 4.988 -41.864 10.538 1.00 63.03 C ATOM 577 CD GLU A 827 5.509 -43.235 10.974 1.00 44.04 C ATOM 578 OE1 GLU A 827 5.127 -43.732 12.043 1.00 33.30 O ATOM 579 OE2 GLU A 827 6.341 -43.787 10.156 1.00 33.33 O ATOM 0 H GLU A 827 3.998 -38.911 9.436 1.00 42.10 H new ATOM 0 HA GLU A 827 2.660 -40.689 9.542 1.00 51.35 H new ATOM 0 HB2 GLU A 827 3.831 -41.307 12.270 1.00 35.01 H new ATOM 0 HB3 GLU A 827 3.009 -42.416 11.192 1.00 35.01 H new ATOM 0 HG2 GLU A 827 4.859 -41.847 9.456 1.00 63.03 H new ATOM 0 HG3 GLU A 827 5.722 -41.097 10.784 1.00 63.03 H new ATOM 587 N GLU A 828 1.295 -38.705 11.071 1.00 24.32 N ATOM 588 CA GLU A 828 0.118 -38.171 11.734 1.00 32.31 C ATOM 589 C GLU A 828 0.249 -38.321 13.251 1.00 1.31 C ATOM 590 O GLU A 828 -0.718 -38.660 13.931 1.00 71.20 O ATOM 591 CB GLU A 828 -1.154 -38.851 11.224 1.00 32.43 C ATOM 592 CG GLU A 828 -1.650 -38.192 9.936 1.00 51.31 C ATOM 593 CD GLU A 828 -3.116 -38.541 9.670 1.00 1.12 C ATOM 594 OE1 GLU A 828 -3.999 -38.136 10.441 1.00 71.32 O ATOM 595 OE2 GLU A 828 -3.323 -39.259 8.619 1.00 53.23 O ATOM 0 H GLU A 828 1.753 -38.058 10.429 1.00 24.32 H new ATOM 0 HA GLU A 828 0.043 -37.109 11.499 1.00 32.31 H new ATOM 0 HB2 GLU A 828 -0.958 -39.908 11.044 1.00 32.43 H new ATOM 0 HB3 GLU A 828 -1.931 -38.796 11.987 1.00 32.43 H new ATOM 0 HG2 GLU A 828 -1.538 -37.110 10.010 1.00 51.31 H new ATOM 0 HG3 GLU A 828 -1.037 -38.519 9.096 1.00 51.31 H new ATOM 603 N CYS A 829 1.454 -38.060 13.737 1.00 13.14 N ATOM 604 CA CYS A 829 1.724 -38.161 15.161 1.00 31.15 C ATOM 605 C CYS A 829 1.988 -36.754 15.701 1.00 23.34 C ATOM 606 O CYS A 829 1.596 -36.432 16.822 1.00 43.32 O ATOM 607 CB CYS A 829 2.888 -39.111 15.450 1.00 32.41 C ATOM 608 SG CYS A 829 2.304 -40.845 15.413 1.00 31.35 S ATOM 0 H CYS A 829 2.254 -37.779 13.170 1.00 13.14 H new ATOM 0 HA CYS A 829 0.859 -38.587 15.668 1.00 31.15 H new ATOM 0 HB2 CYS A 829 3.677 -38.968 14.711 1.00 32.41 H new ATOM 0 HB3 CYS A 829 3.320 -38.885 16.425 1.00 32.41 H new ATOM 0 HG CYS A 829 1.800 -41.108 14.244 1.00 31.35 H new ATOM 614 N HIS A 830 2.652 -35.954 14.879 1.00 35.44 N ATOM 615 CA HIS A 830 2.973 -34.590 15.260 1.00 11.44 C ATOM 616 C HIS A 830 3.338 -33.781 14.014 1.00 74.12 C ATOM 617 O HIS A 830 3.767 -34.344 13.008 1.00 4.11 O ATOM 618 CB HIS A 830 4.072 -34.567 16.324 1.00 21.13 C ATOM 619 CG HIS A 830 5.303 -35.360 15.953 1.00 52.44 C ATOM 620 ND1 HIS A 830 6.584 -34.951 16.279 1.00 62.22 N ATOM 621 CD2 HIS A 830 5.434 -36.539 15.281 1.00 72.41 C ATOM 622 CE1 HIS A 830 7.440 -35.852 15.818 1.00 1.43 C ATOM 623 NE2 HIS A 830 6.725 -36.835 15.200 1.00 42.22 N ATOM 0 H HIS A 830 2.976 -36.225 13.951 1.00 35.44 H new ATOM 0 HA HIS A 830 2.100 -34.121 15.713 1.00 11.44 H new ATOM 0 HB2 HIS A 830 4.361 -33.533 16.511 1.00 21.13 H new ATOM 0 HB3 HIS A 830 3.668 -34.958 17.258 1.00 21.13 H new ATOM 0 HD1 HIS A 830 6.828 -34.101 16.787 1.00 62.22 H new ATOM 0 HD2 HIS A 830 4.624 -37.132 14.882 1.00 72.41 H new ATOM 0 HE1 HIS A 830 8.515 -35.814 15.915 1.00 1.43 H new ATOM 631 N TYR A 831 3.153 -32.473 14.121 1.00 72.52 N ATOM 632 CA TYR A 831 3.457 -31.582 13.015 1.00 50.34 C ATOM 633 C TYR A 831 4.916 -31.124 13.065 1.00 62.15 C ATOM 634 O TYR A 831 5.395 -30.676 14.105 1.00 14.32 O ATOM 635 CB TYR A 831 2.547 -30.365 13.192 1.00 50.42 C ATOM 636 CG TYR A 831 1.192 -30.494 12.494 1.00 72.13 C ATOM 637 CD1 TYR A 831 1.114 -30.417 11.118 1.00 51.32 C ATOM 638 CD2 TYR A 831 0.047 -30.688 13.240 1.00 60.44 C ATOM 639 CE1 TYR A 831 -0.162 -30.539 10.461 1.00 44.42 C ATOM 640 CE2 TYR A 831 -1.229 -30.810 12.583 1.00 65.34 C ATOM 641 CZ TYR A 831 -1.270 -30.729 11.226 1.00 61.54 C ATOM 642 OH TYR A 831 -2.475 -30.845 10.605 1.00 5.40 O ATOM 0 H TYR A 831 2.796 -32.009 14.957 1.00 72.52 H new ATOM 0 HA TYR A 831 3.300 -32.086 12.062 1.00 50.34 H new ATOM 0 HB2 TYR A 831 2.381 -30.200 14.257 1.00 50.42 H new ATOM 0 HB3 TYR A 831 3.059 -29.483 12.808 1.00 50.42 H new ATOM 0 HD1 TYR A 831 2.010 -30.265 10.534 1.00 51.32 H new ATOM 0 HD2 TYR A 831 0.108 -30.748 14.317 1.00 60.44 H new ATOM 0 HE1 TYR A 831 -0.237 -30.481 9.385 1.00 44.42 H new ATOM 0 HE2 TYR A 831 -2.132 -30.962 13.155 1.00 65.34 H new ATOM 0 HH TYR A 831 -3.133 -31.211 11.233 1.00 5.40 H new ATOM 652 N THR A 832 5.583 -31.253 11.927 1.00 74.03 N ATOM 653 CA THR A 832 6.978 -30.858 11.828 1.00 75.44 C ATOM 654 C THR A 832 7.236 -30.142 10.501 1.00 50.12 C ATOM 655 O THR A 832 7.054 -30.722 9.432 1.00 75.42 O ATOM 656 CB THR A 832 7.838 -32.109 12.020 1.00 15.05 C ATOM 657 OG1 THR A 832 7.144 -33.122 11.298 1.00 74.31 O ATOM 658 CG2 THR A 832 7.828 -32.609 13.466 1.00 34.24 C ATOM 0 H THR A 832 5.183 -31.626 11.066 1.00 74.03 H new ATOM 0 HA THR A 832 7.242 -30.141 12.605 1.00 75.44 H new ATOM 0 HB THR A 832 8.863 -31.895 11.716 1.00 15.05 H new ATOM 0 HG1 THR A 832 6.791 -32.746 10.465 1.00 74.31 H new ATOM 0 HG21 THR A 832 8.453 -33.498 13.548 1.00 34.24 H new ATOM 0 HG22 THR A 832 8.216 -31.831 14.123 1.00 34.24 H new ATOM 0 HG23 THR A 832 6.807 -32.855 13.759 1.00 34.24 H new ATOM 666 N VAL A 833 7.657 -28.891 10.613 1.00 53.41 N ATOM 667 CA VAL A 833 7.942 -28.089 9.435 1.00 1.43 C ATOM 668 C VAL A 833 9.451 -28.084 9.180 1.00 13.33 C ATOM 669 O VAL A 833 10.243 -28.105 10.121 1.00 50.20 O ATOM 670 CB VAL A 833 7.360 -26.684 9.605 1.00 0.12 C ATOM 671 CG1 VAL A 833 7.478 -25.881 8.308 1.00 3.13 C ATOM 672 CG2 VAL A 833 5.907 -26.746 10.081 1.00 22.30 C ATOM 0 H VAL A 833 7.808 -28.413 11.501 1.00 53.41 H new ATOM 0 HA VAL A 833 7.465 -28.520 8.555 1.00 1.43 H new ATOM 0 HB VAL A 833 7.942 -26.171 10.371 1.00 0.12 H new ATOM 0 HG11 VAL A 833 7.057 -24.887 8.456 1.00 3.13 H new ATOM 0 HG12 VAL A 833 8.528 -25.793 8.029 1.00 3.13 H new ATOM 0 HG13 VAL A 833 6.933 -26.391 7.514 1.00 3.13 H new ATOM 0 HG21 VAL A 833 5.518 -25.734 10.194 1.00 22.30 H new ATOM 0 HG22 VAL A 833 5.307 -27.286 9.349 1.00 22.30 H new ATOM 0 HG23 VAL A 833 5.860 -27.262 11.040 1.00 22.30 H new ATOM 682 N LEU A 834 9.803 -28.056 7.903 1.00 14.13 N ATOM 683 CA LEU A 834 11.202 -28.048 7.513 1.00 62.04 C ATOM 684 C LEU A 834 11.510 -26.751 6.761 1.00 60.51 C ATOM 685 O LEU A 834 10.598 -26.044 6.336 1.00 34.40 O ATOM 686 CB LEU A 834 11.545 -29.313 6.723 1.00 2.11 C ATOM 687 CG LEU A 834 10.818 -30.589 7.152 1.00 22.10 C ATOM 688 CD1 LEU A 834 9.580 -30.832 6.287 1.00 42.03 C ATOM 689 CD2 LEU A 834 11.767 -31.789 7.145 1.00 60.31 C ATOM 0 H LEU A 834 9.143 -28.039 7.125 1.00 14.13 H new ATOM 0 HA LEU A 834 11.843 -28.066 8.394 1.00 62.04 H new ATOM 0 HB2 LEU A 834 11.327 -29.131 5.671 1.00 2.11 H new ATOM 0 HB3 LEU A 834 12.618 -29.486 6.801 1.00 2.11 H new ATOM 0 HG LEU A 834 10.473 -30.457 8.178 1.00 22.10 H new ATOM 0 HD11 LEU A 834 9.082 -31.745 6.613 1.00 42.03 H new ATOM 0 HD12 LEU A 834 8.895 -29.990 6.387 1.00 42.03 H new ATOM 0 HD13 LEU A 834 9.879 -30.935 5.244 1.00 42.03 H new ATOM 0 HD21 LEU A 834 11.225 -32.683 7.454 1.00 60.31 H new ATOM 0 HD22 LEU A 834 12.163 -31.934 6.140 1.00 60.31 H new ATOM 0 HD23 LEU A 834 12.590 -31.606 7.836 1.00 60.31 H new ATOM 701 N GLY A 835 12.799 -26.479 6.620 1.00 52.33 N ATOM 702 CA GLY A 835 13.238 -25.280 5.927 1.00 45.43 C ATOM 703 C GLY A 835 13.873 -24.285 6.901 1.00 43.13 C ATOM 704 O GLY A 835 13.237 -23.863 7.866 1.00 63.55 O ATOM 0 H GLY A 835 13.553 -27.068 6.974 1.00 52.33 H new ATOM 0 HA2 GLY A 835 13.958 -25.546 5.153 1.00 45.43 H new ATOM 0 HA3 GLY A 835 12.389 -24.813 5.427 1.00 45.43 H new ATOM 708 N ASP A 836 15.120 -23.939 6.614 1.00 14.52 N ATOM 709 CA ASP A 836 15.847 -23.001 7.453 1.00 64.32 C ATOM 710 C ASP A 836 15.184 -21.625 7.367 1.00 30.30 C ATOM 711 O ASP A 836 15.493 -20.733 8.155 1.00 42.10 O ATOM 712 CB ASP A 836 17.298 -22.857 6.987 1.00 15.20 C ATOM 713 CG ASP A 836 17.473 -22.608 5.488 1.00 44.43 C ATOM 714 OD1 ASP A 836 16.952 -23.358 4.650 1.00 32.50 O ATOM 715 OD2 ASP A 836 18.191 -21.579 5.187 1.00 54.54 O ATOM 0 H ASP A 836 15.645 -24.291 5.813 1.00 14.52 H new ATOM 0 HA ASP A 836 15.831 -23.380 8.475 1.00 64.32 H new ATOM 0 HB2 ASP A 836 17.759 -22.034 7.533 1.00 15.20 H new ATOM 0 HB3 ASP A 836 17.842 -23.763 7.256 1.00 15.20 H new ATOM 721 N ALA A 837 14.284 -21.497 6.403 1.00 1.31 N ATOM 722 CA ALA A 837 13.574 -20.245 6.204 1.00 4.51 C ATOM 723 C ALA A 837 12.850 -19.863 7.496 1.00 33.15 C ATOM 724 O ALA A 837 12.935 -18.721 7.946 1.00 34.42 O ATOM 725 CB ALA A 837 12.618 -20.383 5.018 1.00 13.31 C ATOM 0 H ALA A 837 14.030 -22.240 5.751 1.00 1.31 H new ATOM 0 HA ALA A 837 14.272 -19.442 5.968 1.00 4.51 H new ATOM 0 HB1 ALA A 837 12.085 -19.444 4.869 1.00 13.31 H new ATOM 0 HB2 ALA A 837 13.186 -20.625 4.119 1.00 13.31 H new ATOM 0 HB3 ALA A 837 11.901 -21.179 5.219 1.00 13.31 H new ATOM 731 N PHE A 838 12.153 -20.841 8.057 1.00 2.33 N ATOM 732 CA PHE A 838 11.414 -20.622 9.289 1.00 1.21 C ATOM 733 C PHE A 838 12.331 -20.744 10.508 1.00 42.42 C ATOM 734 O PHE A 838 11.999 -20.262 11.590 1.00 50.13 O ATOM 735 CB PHE A 838 10.339 -21.707 9.364 1.00 33.43 C ATOM 736 CG PHE A 838 10.826 -23.025 9.970 1.00 21.11 C ATOM 737 CD1 PHE A 838 11.029 -23.123 11.311 1.00 34.23 C ATOM 738 CD2 PHE A 838 11.057 -24.098 9.167 1.00 33.43 C ATOM 739 CE1 PHE A 838 11.481 -24.346 11.874 1.00 71.34 C ATOM 740 CE2 PHE A 838 11.509 -25.321 9.729 1.00 30.45 C ATOM 741 CZ PHE A 838 11.711 -25.420 11.071 1.00 45.43 C ATOM 0 H PHE A 838 12.085 -21.787 7.681 1.00 2.33 H new ATOM 0 HA PHE A 838 10.983 -19.621 9.291 1.00 1.21 H new ATOM 0 HB2 PHE A 838 9.502 -21.335 9.955 1.00 33.43 H new ATOM 0 HB3 PHE A 838 9.960 -21.899 8.360 1.00 33.43 H new ATOM 0 HD1 PHE A 838 10.846 -22.270 11.948 1.00 34.23 H new ATOM 0 HD2 PHE A 838 10.897 -24.020 8.102 1.00 33.43 H new ATOM 0 HE1 PHE A 838 11.642 -24.423 12.939 1.00 71.34 H new ATOM 0 HE2 PHE A 838 11.693 -26.173 9.091 1.00 30.45 H new ATOM 0 HZ PHE A 838 12.054 -26.351 11.499 1.00 45.43 H new ATOM 751 N LYS A 839 13.467 -21.390 10.291 1.00 21.34 N ATOM 752 CA LYS A 839 14.434 -21.582 11.359 1.00 44.44 C ATOM 753 C LYS A 839 14.895 -20.217 11.874 1.00 13.35 C ATOM 754 O LYS A 839 15.157 -20.055 13.065 1.00 31.54 O ATOM 755 CB LYS A 839 15.580 -22.480 10.888 1.00 4.34 C ATOM 756 CG LYS A 839 15.105 -23.922 10.699 1.00 53.52 C ATOM 757 CD LYS A 839 16.291 -24.871 10.518 1.00 12.03 C ATOM 758 CE LYS A 839 15.814 -26.288 10.192 1.00 42.32 C ATOM 759 NZ LYS A 839 16.769 -27.289 10.716 1.00 21.53 N ATOM 0 H LYS A 839 13.740 -21.787 9.392 1.00 21.34 H new ATOM 0 HA LYS A 839 13.976 -22.103 12.200 1.00 44.44 H new ATOM 0 HB2 LYS A 839 15.982 -22.100 9.949 1.00 4.34 H new ATOM 0 HB3 LYS A 839 16.391 -22.453 11.616 1.00 4.34 H new ATOM 0 HG2 LYS A 839 14.516 -24.231 11.563 1.00 53.52 H new ATOM 0 HG3 LYS A 839 14.451 -23.982 9.829 1.00 53.52 H new ATOM 0 HD2 LYS A 839 16.934 -24.507 9.717 1.00 12.03 H new ATOM 0 HD3 LYS A 839 16.892 -24.886 11.427 1.00 12.03 H new ATOM 0 HE2 LYS A 839 14.828 -26.455 10.626 1.00 42.32 H new ATOM 0 HE3 LYS A 839 15.711 -26.404 9.113 1.00 42.32 H new ATOM 0 HZ1 LYS A 839 17.313 -27.695 9.928 1.00 21.53 H new ATOM 0 HZ2 LYS A 839 17.419 -26.831 11.386 1.00 21.53 H new ATOM 0 HZ3 LYS A 839 16.247 -28.045 11.203 1.00 21.53 H new ATOM 772 N GLU A 840 14.979 -19.269 10.953 1.00 51.05 N ATOM 773 CA GLU A 840 15.403 -17.923 11.299 1.00 31.12 C ATOM 774 C GLU A 840 14.211 -17.102 11.794 1.00 13.12 C ATOM 775 O GLU A 840 14.382 -15.993 12.298 1.00 45.25 O ATOM 776 CB GLU A 840 16.084 -17.240 10.112 1.00 42.11 C ATOM 777 CG GLU A 840 15.211 -17.320 8.858 1.00 31.21 C ATOM 778 CD GLU A 840 15.476 -16.134 7.929 1.00 72.14 C ATOM 779 OE1 GLU A 840 16.515 -16.096 7.253 1.00 1.44 O ATOM 780 OE2 GLU A 840 14.555 -15.231 7.922 1.00 50.44 O ATOM 0 H GLU A 840 14.760 -19.406 9.966 1.00 51.05 H new ATOM 0 HA GLU A 840 16.134 -17.989 12.105 1.00 31.12 H new ATOM 0 HB2 GLU A 840 16.284 -16.196 10.354 1.00 42.11 H new ATOM 0 HB3 GLU A 840 17.047 -17.713 9.920 1.00 42.11 H new ATOM 0 HG2 GLU A 840 15.412 -18.252 8.330 1.00 31.21 H new ATOM 0 HG3 GLU A 840 14.159 -17.335 9.143 1.00 31.21 H new ATOM 788 N CYS A 841 13.028 -17.678 11.634 1.00 65.22 N ATOM 789 CA CYS A 841 11.808 -17.013 12.058 1.00 21.40 C ATOM 790 C CYS A 841 11.574 -17.336 13.535 1.00 34.40 C ATOM 791 O CYS A 841 11.057 -16.506 14.281 1.00 33.41 O ATOM 792 CB CYS A 841 10.614 -17.415 11.190 1.00 41.35 C ATOM 793 SG CYS A 841 10.774 -16.673 9.524 1.00 10.44 S ATOM 0 H CYS A 841 12.889 -18.598 11.216 1.00 65.22 H new ATOM 0 HA CYS A 841 11.916 -15.935 11.935 1.00 21.40 H new ATOM 0 HB2 CYS A 841 10.561 -18.501 11.110 1.00 41.35 H new ATOM 0 HB3 CYS A 841 9.686 -17.084 11.657 1.00 41.35 H new ATOM 0 HG CYS A 841 11.596 -17.383 8.810 1.00 10.44 H new ATOM 799 N PHE A 842 11.965 -18.544 13.913 1.00 22.40 N ATOM 800 CA PHE A 842 11.804 -18.987 15.288 1.00 61.35 C ATOM 801 C PHE A 842 13.160 -19.119 15.984 1.00 42.03 C ATOM 802 O PHE A 842 14.182 -18.698 15.444 1.00 3.13 O ATOM 803 CB PHE A 842 11.134 -20.362 15.239 1.00 54.32 C ATOM 804 CG PHE A 842 12.111 -21.535 15.339 1.00 51.34 C ATOM 805 CD1 PHE A 842 13.112 -21.665 14.427 1.00 74.41 C ATOM 806 CD2 PHE A 842 11.979 -22.447 16.339 1.00 51.42 C ATOM 807 CE1 PHE A 842 14.019 -22.754 14.519 1.00 34.14 C ATOM 808 CE2 PHE A 842 12.886 -23.535 16.431 1.00 32.43 C ATOM 809 CZ PHE A 842 13.887 -23.666 15.520 1.00 74.14 C ATOM 0 H PHE A 842 12.393 -19.230 13.291 1.00 22.40 H new ATOM 0 HA PHE A 842 11.209 -18.263 15.845 1.00 61.35 H new ATOM 0 HB2 PHE A 842 10.413 -20.433 16.054 1.00 54.32 H new ATOM 0 HB3 PHE A 842 10.573 -20.448 14.308 1.00 54.32 H new ATOM 0 HD1 PHE A 842 13.217 -20.940 13.633 1.00 74.41 H new ATOM 0 HD2 PHE A 842 11.184 -22.344 17.063 1.00 51.42 H new ATOM 0 HE1 PHE A 842 14.813 -22.858 13.795 1.00 34.14 H new ATOM 0 HE2 PHE A 842 12.781 -24.259 17.225 1.00 32.43 H new ATOM 0 HZ PHE A 842 14.577 -24.494 15.591 1.00 74.14 H new ATOM 819 N VAL A 843 13.125 -19.705 17.171 1.00 23.14 N ATOM 820 CA VAL A 843 14.339 -19.898 17.947 1.00 51.51 C ATOM 821 C VAL A 843 14.176 -21.126 18.844 1.00 64.31 C ATOM 822 O VAL A 843 13.058 -21.568 19.100 1.00 34.52 O ATOM 823 CB VAL A 843 14.667 -18.625 18.730 1.00 13.32 C ATOM 824 CG1 VAL A 843 14.584 -17.390 17.830 1.00 33.41 C ATOM 825 CG2 VAL A 843 13.751 -18.479 19.947 1.00 10.31 C ATOM 0 H VAL A 843 12.275 -20.053 17.615 1.00 23.14 H new ATOM 0 HA VAL A 843 15.187 -20.087 17.289 1.00 51.51 H new ATOM 0 HB VAL A 843 15.692 -18.708 19.090 1.00 13.32 H new ATOM 0 HG11 VAL A 843 14.822 -16.499 18.412 1.00 33.41 H new ATOM 0 HG12 VAL A 843 15.296 -17.489 17.010 1.00 33.41 H new ATOM 0 HG13 VAL A 843 13.575 -17.301 17.426 1.00 33.41 H new ATOM 0 HG21 VAL A 843 14.005 -17.566 20.486 1.00 10.31 H new ATOM 0 HG22 VAL A 843 12.713 -18.429 19.617 1.00 10.31 H new ATOM 0 HG23 VAL A 843 13.881 -19.338 20.606 1.00 10.31 H new ATOM 835 N SER A 844 15.309 -21.643 19.296 1.00 3.04 N ATOM 836 CA SER A 844 15.307 -22.812 20.159 1.00 33.14 C ATOM 837 C SER A 844 16.233 -22.582 21.355 1.00 63.11 C ATOM 838 O SER A 844 17.414 -22.286 21.181 1.00 4.45 O ATOM 839 CB SER A 844 15.732 -24.065 19.391 1.00 5.30 C ATOM 840 OG SER A 844 17.149 -24.215 19.359 1.00 62.25 O ATOM 0 H SER A 844 16.235 -21.274 19.081 1.00 3.04 H new ATOM 0 HA SER A 844 14.290 -22.968 20.520 1.00 33.14 H new ATOM 0 HB2 SER A 844 15.285 -24.944 19.855 1.00 5.30 H new ATOM 0 HB3 SER A 844 15.350 -24.013 18.372 1.00 5.30 H new ATOM 0 HG SER A 844 17.569 -23.455 19.814 1.00 62.25 H new ATOM 846 N ARG A 845 15.663 -22.727 22.542 1.00 74.43 N ATOM 847 CA ARG A 845 16.423 -22.539 23.766 1.00 73.32 C ATOM 848 C ARG A 845 16.783 -23.893 24.380 1.00 31.34 C ATOM 849 O ARG A 845 15.935 -24.779 24.481 1.00 11.53 O ATOM 850 CB ARG A 845 15.630 -21.719 24.785 1.00 3.34 C ATOM 851 CG ARG A 845 14.673 -20.751 24.086 1.00 65.11 C ATOM 852 CD ARG A 845 15.445 -19.705 23.278 1.00 32.32 C ATOM 853 NE ARG A 845 14.748 -18.401 23.342 1.00 32.34 N ATOM 854 CZ ARG A 845 15.313 -17.223 23.003 1.00 24.31 C ATOM 855 NH1 ARG A 845 16.592 -17.176 22.572 1.00 11.02 N ATOM 856 NH2 ARG A 845 14.597 -16.118 23.099 1.00 25.53 N ATOM 0 H ARG A 845 14.683 -22.973 22.682 1.00 74.43 H new ATOM 0 HA ARG A 845 17.334 -21.998 23.511 1.00 73.32 H new ATOM 0 HB2 ARG A 845 15.066 -22.388 25.435 1.00 3.34 H new ATOM 0 HB3 ARG A 845 16.317 -21.161 25.421 1.00 3.34 H new ATOM 0 HG2 ARG A 845 14.006 -21.306 23.426 1.00 65.11 H new ATOM 0 HG3 ARG A 845 14.047 -20.254 24.827 1.00 65.11 H new ATOM 0 HD2 ARG A 845 16.457 -19.605 23.670 1.00 32.32 H new ATOM 0 HD3 ARG A 845 15.535 -20.028 22.241 1.00 32.32 H new ATOM 0 HE ARG A 845 13.780 -18.392 23.662 1.00 32.34 H new ATOM 0 HH11 ARG A 845 17.138 -18.035 22.501 1.00 11.02 H new ATOM 0 HH12 ARG A 845 17.012 -16.282 22.318 1.00 11.02 H new ATOM 0 HH21 ARG A 845 13.632 -16.163 23.425 1.00 25.53 H new ATOM 0 HH22 ARG A 845 15.009 -15.220 22.847 1.00 25.53 H new ATOM 869 N PRO A 846 18.075 -24.015 24.786 1.00 64.04 N ATOM 870 CA PRO A 846 18.558 -25.246 25.387 1.00 22.25 C ATOM 871 C PRO A 846 18.058 -25.386 26.827 1.00 74.15 C ATOM 872 O PRO A 846 17.107 -24.714 27.225 1.00 25.31 O ATOM 873 CB PRO A 846 20.073 -25.164 25.291 1.00 52.32 C ATOM 874 CG PRO A 846 20.397 -23.696 25.065 1.00 52.14 C ATOM 875 CD PRO A 846 19.108 -22.988 24.682 1.00 54.32 C ATOM 0 HA PRO A 846 18.187 -26.136 24.878 1.00 22.25 H new ATOM 0 HB2 PRO A 846 20.543 -25.532 26.203 1.00 52.32 H new ATOM 0 HB3 PRO A 846 20.446 -25.777 24.471 1.00 52.32 H new ATOM 0 HG2 PRO A 846 20.821 -23.255 25.967 1.00 52.14 H new ATOM 0 HG3 PRO A 846 21.142 -23.586 24.277 1.00 52.14 H new ATOM 0 HD2 PRO A 846 18.903 -22.151 25.349 1.00 54.32 H new ATOM 0 HD3 PRO A 846 19.164 -22.584 23.671 1.00 54.32 H new ATOM 883 N HIS A 847 18.720 -26.263 27.567 1.00 74.12 N ATOM 884 CA HIS A 847 18.354 -26.500 28.953 1.00 12.41 C ATOM 885 C HIS A 847 16.854 -26.789 29.046 1.00 3.10 C ATOM 886 O HIS A 847 16.049 -25.871 29.189 1.00 12.53 O ATOM 887 CB HIS A 847 18.788 -25.328 29.837 1.00 74.42 C ATOM 888 CG HIS A 847 20.234 -24.931 29.664 1.00 63.44 C ATOM 889 ND1 HIS A 847 20.629 -23.629 29.410 1.00 22.34 N ATOM 890 CD2 HIS A 847 21.375 -25.678 29.711 1.00 41.41 C ATOM 891 CE1 HIS A 847 21.950 -23.605 29.311 1.00 41.23 C ATOM 892 NE2 HIS A 847 22.410 -24.875 29.497 1.00 64.34 N ATOM 0 H HIS A 847 19.508 -26.818 27.233 1.00 74.12 H new ATOM 0 HA HIS A 847 18.881 -27.377 29.327 1.00 12.41 H new ATOM 0 HB2 HIS A 847 18.157 -24.467 29.617 1.00 74.42 H new ATOM 0 HB3 HIS A 847 18.616 -25.591 30.881 1.00 74.42 H new ATOM 0 HD2 HIS A 847 21.427 -26.742 29.892 1.00 41.41 H new ATOM 0 HE1 HIS A 847 22.556 -22.732 29.117 1.00 41.23 H new ATOM 0 HE2 HIS A 847 23.389 -25.161 29.475 1.00 64.34 H new ATOM 900 N PRO A 848 16.516 -28.103 28.958 1.00 22.33 N ATOM 901 CA PRO A 848 15.128 -28.525 29.031 1.00 72.41 C ATOM 902 C PRO A 848 14.607 -28.452 30.468 1.00 53.45 C ATOM 903 O PRO A 848 15.386 -28.305 31.408 1.00 62.43 O ATOM 904 CB PRO A 848 15.116 -29.937 28.466 1.00 14.43 C ATOM 905 CG PRO A 848 16.554 -30.424 28.531 1.00 41.22 C ATOM 906 CD PRO A 848 17.443 -29.218 28.788 1.00 23.33 C ATOM 0 HA PRO A 848 14.461 -27.877 28.463 1.00 72.41 H new ATOM 0 HB2 PRO A 848 14.458 -30.584 29.046 1.00 14.43 H new ATOM 0 HB3 PRO A 848 14.747 -29.944 27.440 1.00 14.43 H new ATOM 0 HG2 PRO A 848 16.672 -31.161 29.325 1.00 41.22 H new ATOM 0 HG3 PRO A 848 16.834 -30.913 27.598 1.00 41.22 H new ATOM 0 HD2 PRO A 848 18.057 -29.361 29.677 1.00 23.33 H new ATOM 0 HD3 PRO A 848 18.124 -29.043 27.955 1.00 23.33 H new ATOM 914 N LYS A 849 13.292 -28.556 30.592 1.00 32.22 N ATOM 915 CA LYS A 849 12.657 -28.503 31.898 1.00 23.33 C ATOM 916 C LYS A 849 12.032 -29.864 32.212 1.00 24.04 C ATOM 917 O LYS A 849 11.691 -30.619 31.303 1.00 14.15 O ATOM 918 CB LYS A 849 11.665 -27.341 31.965 1.00 11.42 C ATOM 919 CG LYS A 849 12.389 -26.015 32.207 1.00 2.21 C ATOM 920 CD LYS A 849 12.651 -25.798 33.699 1.00 45.52 C ATOM 921 CE LYS A 849 13.577 -24.600 33.924 1.00 61.30 C ATOM 922 NZ LYS A 849 14.005 -24.535 35.339 1.00 12.04 N ATOM 0 H LYS A 849 12.649 -28.677 29.810 1.00 32.22 H new ATOM 0 HA LYS A 849 13.397 -28.305 32.673 1.00 23.33 H new ATOM 0 HB2 LYS A 849 11.100 -27.286 31.034 1.00 11.42 H new ATOM 0 HB3 LYS A 849 10.946 -27.518 32.765 1.00 11.42 H new ATOM 0 HG2 LYS A 849 13.334 -26.008 31.663 1.00 2.21 H new ATOM 0 HG3 LYS A 849 11.790 -25.193 31.816 1.00 2.21 H new ATOM 0 HD2 LYS A 849 11.706 -25.635 34.218 1.00 45.52 H new ATOM 0 HD3 LYS A 849 13.099 -26.694 34.127 1.00 45.52 H new ATOM 0 HE2 LYS A 849 14.450 -24.681 33.277 1.00 61.30 H new ATOM 0 HE3 LYS A 849 13.063 -23.679 33.651 1.00 61.30 H new ATOM 0 HZ1 LYS A 849 14.633 -23.717 35.475 1.00 12.04 H new ATOM 0 HZ2 LYS A 849 13.169 -24.436 35.950 1.00 12.04 H new ATOM 0 HZ3 LYS A 849 14.514 -25.407 35.588 1.00 12.04 H new ATOM 935 N PRO A 850 11.899 -30.143 33.537 1.00 74.12 N ATOM 936 CA PRO A 850 11.321 -31.400 33.982 1.00 12.42 C ATOM 937 C PRO A 850 9.803 -31.403 33.793 1.00 54.13 C ATOM 938 O PRO A 850 9.265 -30.588 33.045 1.00 41.34 O ATOM 939 CB PRO A 850 11.738 -31.530 35.438 1.00 61.41 C ATOM 940 CG PRO A 850 12.136 -30.133 35.885 1.00 51.14 C ATOM 941 CD PRO A 850 12.292 -29.273 34.641 1.00 23.01 C ATOM 0 HA PRO A 850 11.673 -32.253 33.402 1.00 12.42 H new ATOM 0 HB2 PRO A 850 10.919 -31.916 36.046 1.00 61.41 H new ATOM 0 HB3 PRO A 850 12.570 -32.226 35.545 1.00 61.41 H new ATOM 0 HG2 PRO A 850 11.378 -29.713 36.547 1.00 51.14 H new ATOM 0 HG3 PRO A 850 13.069 -30.163 36.448 1.00 51.14 H new ATOM 0 HD2 PRO A 850 11.660 -28.386 34.691 1.00 23.01 H new ATOM 0 HD3 PRO A 850 13.319 -28.926 34.526 1.00 23.01 H new ATOM 949 N LYS A 851 9.154 -32.329 34.483 1.00 1.04 N ATOM 950 CA LYS A 851 7.708 -32.449 34.401 1.00 44.03 C ATOM 951 C LYS A 851 7.295 -32.585 32.934 1.00 63.41 C ATOM 952 O LYS A 851 6.294 -32.009 32.511 1.00 63.11 O ATOM 953 CB LYS A 851 7.032 -31.283 35.124 1.00 13.03 C ATOM 954 CG LYS A 851 7.550 -31.152 36.558 1.00 71.50 C ATOM 955 CD LYS A 851 6.506 -30.491 37.460 1.00 1.11 C ATOM 956 CE LYS A 851 7.176 -29.724 38.602 1.00 33.45 C ATOM 957 NZ LYS A 851 6.316 -28.606 39.050 1.00 33.34 N ATOM 0 H LYS A 851 9.603 -33.004 35.102 1.00 1.04 H new ATOM 0 HA LYS A 851 7.371 -33.350 34.913 1.00 44.03 H new ATOM 0 HB2 LYS A 851 7.218 -30.357 34.580 1.00 13.03 H new ATOM 0 HB3 LYS A 851 5.953 -31.435 35.136 1.00 13.03 H new ATOM 0 HG2 LYS A 851 7.802 -32.138 36.949 1.00 71.50 H new ATOM 0 HG3 LYS A 851 8.467 -30.563 36.565 1.00 71.50 H new ATOM 0 HD2 LYS A 851 5.890 -29.810 36.872 1.00 1.11 H new ATOM 0 HD3 LYS A 851 5.840 -31.251 37.869 1.00 1.11 H new ATOM 0 HE2 LYS A 851 7.370 -30.398 39.436 1.00 33.45 H new ATOM 0 HE3 LYS A 851 8.141 -29.339 38.272 1.00 33.45 H new ATOM 0 HZ1 LYS A 851 6.785 -28.096 39.825 1.00 33.34 H new ATOM 0 HZ2 LYS A 851 6.152 -27.954 38.256 1.00 33.34 H new ATOM 0 HZ3 LYS A 851 5.405 -28.981 39.384 1.00 33.34 H new ATOM 970 N GLN A 852 8.087 -33.351 32.198 1.00 24.31 N ATOM 971 CA GLN A 852 7.817 -33.571 30.787 1.00 14.24 C ATOM 972 C GLN A 852 6.785 -34.687 30.612 1.00 14.33 C ATOM 973 O GLN A 852 6.973 -35.795 31.112 1.00 51.04 O ATOM 974 CB GLN A 852 9.104 -33.890 30.025 1.00 21.22 C ATOM 975 CG GLN A 852 10.145 -32.786 30.221 1.00 24.40 C ATOM 976 CD GLN A 852 11.561 -33.321 29.991 1.00 14.32 C ATOM 977 OE1 GLN A 852 11.886 -34.450 30.317 1.00 31.53 O ATOM 978 NE2 GLN A 852 12.381 -32.448 29.413 1.00 61.20 N ATOM 0 H GLN A 852 8.916 -33.827 32.553 1.00 24.31 H new ATOM 0 HA GLN A 852 7.405 -32.653 30.369 1.00 14.24 H new ATOM 0 HB2 GLN A 852 9.509 -34.842 30.370 1.00 21.22 H new ATOM 0 HB3 GLN A 852 8.884 -34.003 28.963 1.00 21.22 H new ATOM 0 HG2 GLN A 852 9.945 -31.966 29.531 1.00 24.40 H new ATOM 0 HG3 GLN A 852 10.065 -32.380 31.230 1.00 24.40 H new ATOM 0 HE21 GLN A 852 12.043 -31.518 29.166 1.00 61.20 H new ATOM 0 HE22 GLN A 852 13.347 -32.709 29.217 1.00 61.20 H new ATOM 987 N PHE A 853 5.717 -34.355 29.902 1.00 73.43 N ATOM 988 CA PHE A 853 4.655 -35.316 29.655 1.00 53.24 C ATOM 989 C PHE A 853 5.199 -36.572 28.971 1.00 43.30 C ATOM 990 O PHE A 853 6.221 -36.518 28.289 1.00 43.34 O ATOM 991 CB PHE A 853 3.647 -34.639 28.723 1.00 2.22 C ATOM 992 CG PHE A 853 4.289 -33.868 27.568 1.00 53.24 C ATOM 993 CD1 PHE A 853 4.777 -34.539 26.490 1.00 32.13 C ATOM 994 CD2 PHE A 853 4.371 -32.511 27.618 1.00 74.21 C ATOM 995 CE1 PHE A 853 5.372 -33.824 25.418 1.00 50.41 C ATOM 996 CE2 PHE A 853 4.966 -31.796 26.546 1.00 52.35 C ATOM 997 CZ PHE A 853 5.454 -32.467 25.468 1.00 11.11 C ATOM 0 H PHE A 853 5.564 -33.435 29.490 1.00 73.43 H new ATOM 0 HA PHE A 853 4.200 -35.617 30.598 1.00 53.24 H new ATOM 0 HB2 PHE A 853 2.980 -35.397 28.314 1.00 2.22 H new ATOM 0 HB3 PHE A 853 3.031 -33.954 29.306 1.00 2.22 H new ATOM 0 HD1 PHE A 853 4.712 -35.616 26.450 1.00 32.13 H new ATOM 0 HD2 PHE A 853 3.983 -31.978 28.473 1.00 74.21 H new ATOM 0 HE1 PHE A 853 5.760 -34.357 24.563 1.00 50.41 H new ATOM 0 HE2 PHE A 853 5.031 -30.719 26.586 1.00 52.35 H new ATOM 0 HZ PHE A 853 5.906 -31.923 24.652 1.00 11.11 H new ATOM 1007 N SER A 854 4.492 -37.673 29.178 1.00 65.00 N ATOM 1008 CA SER A 854 4.892 -38.940 28.590 1.00 22.32 C ATOM 1009 C SER A 854 4.412 -39.019 27.140 1.00 71.04 C ATOM 1010 O SER A 854 3.571 -39.852 26.805 1.00 61.13 O ATOM 1011 CB SER A 854 4.342 -40.119 29.396 1.00 4.10 C ATOM 1012 OG SER A 854 4.581 -39.968 30.793 1.00 61.22 O ATOM 0 H SER A 854 3.645 -37.714 29.745 1.00 65.00 H new ATOM 0 HA SER A 854 5.980 -38.997 28.609 1.00 22.32 H new ATOM 0 HB2 SER A 854 3.270 -40.211 29.219 1.00 4.10 H new ATOM 0 HB3 SER A 854 4.803 -41.043 29.047 1.00 4.10 H new ATOM 0 HG SER A 854 4.214 -40.739 31.273 1.00 61.22 H new ATOM 1018 N SER A 855 4.967 -38.140 26.318 1.00 74.43 N ATOM 1019 CA SER A 855 4.605 -38.100 24.911 1.00 44.21 C ATOM 1020 C SER A 855 5.867 -38.118 24.046 1.00 64.11 C ATOM 1021 O SER A 855 6.001 -38.955 23.154 1.00 1.41 O ATOM 1022 CB SER A 855 3.763 -36.863 24.594 1.00 13.21 C ATOM 1023 OG SER A 855 2.872 -36.537 25.657 1.00 35.45 O ATOM 0 H SER A 855 5.664 -37.451 26.599 1.00 74.43 H new ATOM 0 HA SER A 855 4.005 -38.982 24.687 1.00 44.21 H new ATOM 0 HB2 SER A 855 4.421 -36.016 24.400 1.00 13.21 H new ATOM 0 HB3 SER A 855 3.191 -37.037 23.682 1.00 13.21 H new ATOM 0 HG SER A 855 3.036 -35.617 25.951 1.00 35.45 H new ATOM 1029 N PHE A 856 6.761 -37.185 24.340 1.00 62.30 N ATOM 1030 CA PHE A 856 8.008 -37.084 23.600 1.00 13.43 C ATOM 1031 C PHE A 856 9.162 -36.686 24.523 1.00 52.22 C ATOM 1032 O PHE A 856 8.968 -36.509 25.725 1.00 60.44 O ATOM 1033 CB PHE A 856 7.814 -35.992 22.546 1.00 62.34 C ATOM 1034 CG PHE A 856 7.125 -36.477 21.269 1.00 55.45 C ATOM 1035 CD1 PHE A 856 5.788 -36.727 21.271 1.00 72.12 C ATOM 1036 CD2 PHE A 856 7.848 -36.657 20.131 1.00 2.52 C ATOM 1037 CE1 PHE A 856 5.148 -37.177 20.086 1.00 53.44 C ATOM 1038 CE2 PHE A 856 7.208 -37.106 18.946 1.00 21.00 C ATOM 1039 CZ PHE A 856 5.871 -37.357 18.948 1.00 4.43 C ATOM 0 H PHE A 856 6.647 -36.492 25.080 1.00 62.30 H new ATOM 0 HA PHE A 856 8.253 -38.046 23.150 1.00 13.43 H new ATOM 0 HB2 PHE A 856 7.226 -35.183 22.979 1.00 62.34 H new ATOM 0 HB3 PHE A 856 8.787 -35.575 22.286 1.00 62.34 H new ATOM 0 HD1 PHE A 856 5.213 -36.583 22.174 1.00 72.12 H new ATOM 0 HD2 PHE A 856 8.910 -36.458 20.129 1.00 2.52 H new ATOM 0 HE1 PHE A 856 4.087 -37.376 20.088 1.00 53.44 H new ATOM 0 HE2 PHE A 856 7.783 -37.248 18.043 1.00 21.00 H new ATOM 0 HZ PHE A 856 5.384 -37.699 18.047 1.00 4.43 H new ATOM 1049 N GLU A 857 10.337 -36.556 23.925 1.00 22.22 N ATOM 1050 CA GLU A 857 11.522 -36.183 24.678 1.00 4.42 C ATOM 1051 C GLU A 857 11.984 -34.779 24.280 1.00 72.22 C ATOM 1052 O GLU A 857 12.717 -34.616 23.306 1.00 24.21 O ATOM 1053 CB GLU A 857 12.643 -37.205 24.480 1.00 60.13 C ATOM 1054 CG GLU A 857 12.579 -37.824 23.082 1.00 63.01 C ATOM 1055 CD GLU A 857 13.913 -38.476 22.709 1.00 13.45 C ATOM 1056 OE1 GLU A 857 14.969 -38.053 23.204 1.00 75.12 O ATOM 1057 OE2 GLU A 857 13.826 -39.456 21.875 1.00 4.23 O ATOM 0 H GLU A 857 10.494 -36.702 22.928 1.00 22.22 H new ATOM 0 HA GLU A 857 11.267 -36.174 25.738 1.00 4.42 H new ATOM 0 HB2 GLU A 857 13.610 -36.722 24.624 1.00 60.13 H new ATOM 0 HB3 GLU A 857 12.563 -37.989 25.233 1.00 60.13 H new ATOM 0 HG2 GLU A 857 11.784 -38.569 23.046 1.00 63.01 H new ATOM 0 HG3 GLU A 857 12.329 -37.055 22.351 1.00 63.01 H new ATOM 1065 N LYS A 858 11.535 -33.802 25.053 1.00 13.41 N ATOM 1066 CA LYS A 858 11.892 -32.417 24.793 1.00 23.41 C ATOM 1067 C LYS A 858 13.201 -32.089 25.515 1.00 60.25 C ATOM 1068 O LYS A 858 13.314 -32.287 26.723 1.00 22.22 O ATOM 1069 CB LYS A 858 10.736 -31.487 25.163 1.00 12.42 C ATOM 1070 CG LYS A 858 11.250 -30.093 25.532 1.00 73.43 C ATOM 1071 CD LYS A 858 10.105 -29.193 25.999 1.00 12.41 C ATOM 1072 CE LYS A 858 10.576 -28.229 27.090 1.00 51.31 C ATOM 1073 NZ LYS A 858 10.753 -28.945 28.373 1.00 45.20 N ATOM 0 H LYS A 858 10.927 -33.941 25.860 1.00 13.41 H new ATOM 0 HA LYS A 858 12.066 -32.262 23.728 1.00 23.41 H new ATOM 0 HB2 LYS A 858 10.042 -31.413 24.326 1.00 12.42 H new ATOM 0 HB3 LYS A 858 10.180 -31.907 26.001 1.00 12.42 H new ATOM 0 HG2 LYS A 858 11.998 -30.174 26.320 1.00 73.43 H new ATOM 0 HG3 LYS A 858 11.743 -29.643 24.670 1.00 73.43 H new ATOM 0 HD2 LYS A 858 9.714 -28.628 25.153 1.00 12.41 H new ATOM 0 HD3 LYS A 858 9.287 -29.806 26.378 1.00 12.41 H new ATOM 0 HE2 LYS A 858 11.517 -27.765 26.793 1.00 51.31 H new ATOM 0 HE3 LYS A 858 9.849 -27.426 27.212 1.00 51.31 H new ATOM 0 HZ1 LYS A 858 10.856 -28.255 29.144 1.00 45.20 H new ATOM 0 HZ2 LYS A 858 9.923 -29.545 28.553 1.00 45.20 H new ATOM 0 HZ3 LYS A 858 11.605 -29.539 28.324 1.00 45.20 H new ATOM 1086 N ARG A 859 14.157 -31.593 24.743 1.00 53.04 N ATOM 1087 CA ARG A 859 15.453 -31.235 25.293 1.00 61.40 C ATOM 1088 C ARG A 859 15.704 -29.735 25.128 1.00 21.12 C ATOM 1089 O ARG A 859 16.801 -29.251 25.406 1.00 75.53 O ATOM 1090 CB ARG A 859 16.577 -32.012 24.604 1.00 30.24 C ATOM 1091 CG ARG A 859 16.629 -33.458 25.102 1.00 30.11 C ATOM 1092 CD ARG A 859 17.533 -33.583 26.330 1.00 64.11 C ATOM 1093 NE ARG A 859 18.928 -33.243 25.968 1.00 14.02 N ATOM 1094 CZ ARG A 859 19.865 -32.850 26.856 1.00 4.12 C ATOM 1095 NH1 ARG A 859 19.565 -32.744 28.168 1.00 2.11 N ATOM 1096 NH2 ARG A 859 21.080 -32.571 26.422 1.00 4.43 N ATOM 0 H ARG A 859 14.060 -31.431 23.741 1.00 53.04 H new ATOM 0 HA ARG A 859 15.446 -31.491 26.352 1.00 61.40 H new ATOM 0 HB2 ARG A 859 16.423 -32.001 23.525 1.00 30.24 H new ATOM 0 HB3 ARG A 859 17.532 -31.523 24.795 1.00 30.24 H new ATOM 0 HG2 ARG A 859 15.623 -33.797 25.350 1.00 30.11 H new ATOM 0 HG3 ARG A 859 16.997 -34.107 24.307 1.00 30.11 H new ATOM 0 HD2 ARG A 859 17.181 -32.919 27.120 1.00 64.11 H new ATOM 0 HD3 ARG A 859 17.488 -34.599 26.723 1.00 64.11 H new ATOM 0 HE ARG A 859 19.197 -33.310 24.987 1.00 14.02 H new ATOM 0 HH11 ARG A 859 18.624 -32.962 28.495 1.00 2.11 H new ATOM 0 HH12 ARG A 859 20.280 -32.446 28.832 1.00 2.11 H new ATOM 0 HH21 ARG A 859 21.298 -32.654 25.429 1.00 4.43 H new ATOM 0 HH22 ARG A 859 21.800 -32.272 27.080 1.00 4.43 H new ATOM 1109 N ALA A 860 14.670 -29.041 24.677 1.00 11.53 N ATOM 1110 CA ALA A 860 14.765 -27.605 24.472 1.00 33.12 C ATOM 1111 C ALA A 860 13.385 -27.055 24.104 1.00 44.22 C ATOM 1112 O ALA A 860 12.494 -27.811 23.721 1.00 53.52 O ATOM 1113 CB ALA A 860 15.815 -27.311 23.400 1.00 44.32 C ATOM 0 H ALA A 860 13.762 -29.446 24.448 1.00 11.53 H new ATOM 0 HA ALA A 860 15.085 -27.106 25.387 1.00 33.12 H new ATOM 0 HB1 ALA A 860 15.886 -26.234 23.246 1.00 44.32 H new ATOM 0 HB2 ALA A 860 16.782 -27.696 23.723 1.00 44.32 H new ATOM 0 HB3 ALA A 860 15.526 -27.793 22.466 1.00 44.32 H new ATOM 1119 N LYS A 861 13.253 -25.743 24.233 1.00 43.13 N ATOM 1120 CA LYS A 861 11.998 -25.083 23.918 1.00 13.42 C ATOM 1121 C LYS A 861 12.175 -24.233 22.658 1.00 1.23 C ATOM 1122 O LYS A 861 13.299 -23.997 22.217 1.00 31.31 O ATOM 1123 CB LYS A 861 11.490 -24.293 25.126 1.00 3.23 C ATOM 1124 CG LYS A 861 11.108 -25.231 26.273 1.00 10.42 C ATOM 1125 CD LYS A 861 12.313 -25.520 27.170 1.00 4.31 C ATOM 1126 CE LYS A 861 12.882 -24.227 27.758 1.00 12.32 C ATOM 1127 NZ LYS A 861 11.788 -23.305 28.137 1.00 53.45 N ATOM 0 H LYS A 861 13.995 -25.119 24.551 1.00 43.13 H new ATOM 0 HA LYS A 861 11.225 -25.820 23.700 1.00 13.42 H new ATOM 0 HB2 LYS A 861 12.260 -23.598 25.461 1.00 3.23 H new ATOM 0 HB3 LYS A 861 10.626 -23.695 24.837 1.00 3.23 H new ATOM 0 HG2 LYS A 861 10.310 -24.782 26.864 1.00 10.42 H new ATOM 0 HG3 LYS A 861 10.719 -26.165 25.869 1.00 10.42 H new ATOM 0 HD2 LYS A 861 12.018 -26.191 27.976 1.00 4.31 H new ATOM 0 HD3 LYS A 861 13.084 -26.032 26.595 1.00 4.31 H new ATOM 0 HE2 LYS A 861 13.492 -24.455 28.632 1.00 12.32 H new ATOM 0 HE3 LYS A 861 13.535 -23.746 27.030 1.00 12.32 H new ATOM 0 HZ1 LYS A 861 12.139 -22.618 28.835 1.00 53.45 H new ATOM 0 HZ2 LYS A 861 11.452 -22.799 27.293 1.00 53.45 H new ATOM 0 HZ3 LYS A 861 11.003 -23.848 28.550 1.00 53.45 H new ATOM 1140 N ILE A 862 11.049 -23.796 22.115 1.00 53.34 N ATOM 1141 CA ILE A 862 11.065 -22.977 20.914 1.00 25.12 C ATOM 1142 C ILE A 862 10.204 -21.733 21.139 1.00 43.43 C ATOM 1143 O ILE A 862 9.215 -21.781 21.868 1.00 22.24 O ATOM 1144 CB ILE A 862 10.647 -23.803 19.696 1.00 33.34 C ATOM 1145 CG1 ILE A 862 9.124 -23.827 19.547 1.00 1.21 C ATOM 1146 CG2 ILE A 862 11.238 -25.213 19.760 1.00 2.14 C ATOM 1147 CD1 ILE A 862 8.647 -22.708 18.619 1.00 71.34 C ATOM 0 H ILE A 862 10.119 -23.993 22.484 1.00 53.34 H new ATOM 0 HA ILE A 862 12.077 -22.631 20.703 1.00 25.12 H new ATOM 0 HB ILE A 862 11.051 -23.325 18.804 1.00 33.34 H new ATOM 0 HG12 ILE A 862 8.809 -24.792 19.151 1.00 1.21 H new ATOM 0 HG13 ILE A 862 8.657 -23.717 20.526 1.00 1.21 H new ATOM 0 HG21 ILE A 862 10.925 -25.779 18.882 1.00 2.14 H new ATOM 0 HG22 ILE A 862 12.326 -25.151 19.783 1.00 2.14 H new ATOM 0 HG23 ILE A 862 10.884 -25.715 20.660 1.00 2.14 H new ATOM 0 HD11 ILE A 862 7.561 -22.747 18.530 1.00 71.34 H new ATOM 0 HD12 ILE A 862 8.943 -21.743 19.031 1.00 71.34 H new ATOM 0 HD13 ILE A 862 9.097 -22.836 17.634 1.00 71.34 H new ATOM 1159 N PHE A 863 10.612 -20.647 20.498 1.00 55.21 N ATOM 1160 CA PHE A 863 9.890 -19.392 20.619 1.00 55.44 C ATOM 1161 C PHE A 863 10.148 -18.492 19.408 1.00 33.11 C ATOM 1162 O PHE A 863 11.178 -18.615 18.747 1.00 33.12 O ATOM 1163 CB PHE A 863 10.411 -18.695 21.877 1.00 32.00 C ATOM 1164 CG PHE A 863 10.470 -19.600 23.110 1.00 40.43 C ATOM 1165 CD1 PHE A 863 9.389 -19.707 23.927 1.00 15.32 C ATOM 1166 CD2 PHE A 863 11.604 -20.297 23.388 1.00 43.34 C ATOM 1167 CE1 PHE A 863 9.444 -20.546 25.071 1.00 35.31 C ATOM 1168 CE2 PHE A 863 11.659 -21.136 24.531 1.00 23.25 C ATOM 1169 CZ PHE A 863 10.578 -21.243 25.349 1.00 32.31 C ATOM 0 H PHE A 863 11.433 -20.611 19.894 1.00 55.21 H new ATOM 0 HA PHE A 863 8.818 -19.584 20.674 1.00 55.44 H new ATOM 0 HB2 PHE A 863 11.409 -18.305 21.677 1.00 32.00 H new ATOM 0 HB3 PHE A 863 9.772 -17.839 22.097 1.00 32.00 H new ATOM 0 HD1 PHE A 863 8.488 -19.154 23.706 1.00 15.32 H new ATOM 0 HD2 PHE A 863 12.463 -20.212 22.739 1.00 43.34 H new ATOM 0 HE1 PHE A 863 8.585 -20.631 25.720 1.00 35.31 H new ATOM 0 HE2 PHE A 863 12.560 -21.690 24.751 1.00 23.25 H new ATOM 0 HZ PHE A 863 10.620 -21.881 26.219 1.00 32.31 H new ATOM 1179 N CYS A 864 9.194 -17.608 19.154 1.00 4.33 N ATOM 1180 CA CYS A 864 9.306 -16.688 18.035 1.00 54.20 C ATOM 1181 C CYS A 864 10.600 -15.888 18.197 1.00 15.24 C ATOM 1182 O CYS A 864 10.883 -15.372 19.277 1.00 0.24 O ATOM 1183 CB CYS A 864 8.081 -15.777 17.928 1.00 50.14 C ATOM 1184 SG CYS A 864 7.994 -14.671 19.383 1.00 31.43 S ATOM 0 H CYS A 864 8.340 -17.510 19.704 1.00 4.33 H new ATOM 0 HA CYS A 864 9.343 -17.250 17.102 1.00 54.20 H new ATOM 0 HB2 CYS A 864 8.136 -15.185 17.014 1.00 50.14 H new ATOM 0 HB3 CYS A 864 7.175 -16.379 17.864 1.00 50.14 H new ATOM 0 HG CYS A 864 9.191 -14.474 19.850 1.00 31.43 H new ATOM 1190 N ALA A 865 11.350 -15.810 17.108 1.00 1.34 N ATOM 1191 CA ALA A 865 12.607 -15.081 17.117 1.00 63.24 C ATOM 1192 C ALA A 865 12.322 -13.580 17.201 1.00 35.51 C ATOM 1193 O ALA A 865 13.215 -12.791 17.502 1.00 44.33 O ATOM 1194 CB ALA A 865 13.420 -15.451 15.874 1.00 11.01 C ATOM 0 H ALA A 865 11.112 -16.239 16.214 1.00 1.34 H new ATOM 0 HA ALA A 865 13.201 -15.352 17.989 1.00 63.24 H new ATOM 0 HB1 ALA A 865 14.363 -14.904 15.880 1.00 11.01 H new ATOM 0 HB2 ALA A 865 13.621 -16.522 15.877 1.00 11.01 H new ATOM 0 HB3 ALA A 865 12.855 -15.190 14.979 1.00 11.01 H new ATOM 1200 N ARG A 866 11.072 -13.232 16.930 1.00 22.34 N ATOM 1201 CA ARG A 866 10.657 -11.840 16.972 1.00 25.31 C ATOM 1202 C ARG A 866 10.912 -11.252 18.361 1.00 13.04 C ATOM 1203 O ARG A 866 11.474 -11.919 19.229 1.00 74.34 O ATOM 1204 CB ARG A 866 9.173 -11.697 16.629 1.00 23.30 C ATOM 1205 CG ARG A 866 8.925 -11.972 15.145 1.00 52.05 C ATOM 1206 CD ARG A 866 9.061 -10.691 14.320 1.00 52.54 C ATOM 1207 NE ARG A 866 7.913 -9.794 14.584 1.00 24.11 N ATOM 1208 CZ ARG A 866 7.804 -8.540 14.096 1.00 24.12 C ATOM 1209 NH1 ARG A 866 8.775 -8.023 13.313 1.00 54.11 N ATOM 1210 NH2 ARG A 866 6.735 -7.827 14.397 1.00 71.12 N ATOM 0 H ARG A 866 10.334 -13.890 16.681 1.00 22.34 H new ATOM 0 HA ARG A 866 11.243 -11.297 16.231 1.00 25.31 H new ATOM 0 HB2 ARG A 866 8.588 -12.390 17.234 1.00 23.30 H new ATOM 0 HB3 ARG A 866 8.834 -10.692 16.878 1.00 23.30 H new ATOM 0 HG2 ARG A 866 9.635 -12.717 14.786 1.00 52.05 H new ATOM 0 HG3 ARG A 866 7.928 -12.391 15.011 1.00 52.05 H new ATOM 0 HD2 ARG A 866 9.993 -10.185 14.570 1.00 52.54 H new ATOM 0 HD3 ARG A 866 9.106 -10.935 13.259 1.00 52.54 H new ATOM 0 HE ARG A 866 7.157 -10.146 15.172 1.00 24.11 H new ATOM 0 HH11 ARG A 866 9.598 -8.581 13.086 1.00 54.11 H new ATOM 0 HH12 ARG A 866 8.685 -7.075 12.948 1.00 54.11 H new ATOM 0 HH21 ARG A 866 6.007 -8.225 14.990 1.00 71.12 H new ATOM 0 HH22 ARG A 866 6.637 -6.878 14.037 1.00 71.12 H new ATOM 1223 N GLN A 867 10.486 -10.009 18.530 1.00 52.24 N ATOM 1224 CA GLN A 867 10.660 -9.323 19.799 1.00 63.12 C ATOM 1225 C GLN A 867 10.273 -10.244 20.957 1.00 21.34 C ATOM 1226 O GLN A 867 11.112 -10.588 21.789 1.00 71.03 O ATOM 1227 CB GLN A 867 9.851 -8.025 19.836 1.00 23.15 C ATOM 1228 CG GLN A 867 10.216 -7.187 21.063 1.00 4.13 C ATOM 1229 CD GLN A 867 9.643 -5.773 20.951 1.00 2.33 C ATOM 1230 OE1 GLN A 867 8.740 -5.501 20.178 1.00 51.44 O ATOM 1231 NE2 GLN A 867 10.217 -4.891 21.765 1.00 53.52 N ATOM 0 H GLN A 867 10.020 -9.459 17.808 1.00 52.24 H new ATOM 0 HA GLN A 867 11.712 -9.059 19.906 1.00 63.12 H new ATOM 0 HB2 GLN A 867 10.038 -7.450 18.929 1.00 23.15 H new ATOM 0 HB3 GLN A 867 8.786 -8.256 19.853 1.00 23.15 H new ATOM 0 HG2 GLN A 867 9.834 -7.668 21.963 1.00 4.13 H new ATOM 0 HG3 GLN A 867 11.300 -7.137 21.164 1.00 4.13 H new ATOM 0 HE21 GLN A 867 10.969 -5.186 22.388 1.00 53.52 H new ATOM 0 HE22 GLN A 867 9.905 -3.920 21.766 1.00 53.52 H new ATOM 1240 N ASN A 868 9.002 -10.618 20.975 1.00 1.11 N ATOM 1241 CA ASN A 868 8.494 -11.493 22.018 1.00 14.40 C ATOM 1242 C ASN A 868 9.424 -12.698 22.165 1.00 21.12 C ATOM 1243 O ASN A 868 9.706 -13.392 21.189 1.00 32.15 O ATOM 1244 CB ASN A 868 7.098 -12.013 21.669 1.00 52.43 C ATOM 1245 CG ASN A 868 6.044 -10.917 21.846 1.00 23.42 C ATOM 1246 OD1 ASN A 868 5.772 -10.453 22.941 1.00 23.32 O ATOM 1247 ND2 ASN A 868 5.468 -10.532 20.711 1.00 4.21 N ATOM 0 H ASN A 868 8.309 -10.331 20.284 1.00 1.11 H new ATOM 0 HA ASN A 868 8.445 -10.920 22.944 1.00 14.40 H new ATOM 0 HB2 ASN A 868 7.086 -12.371 20.639 1.00 52.43 H new ATOM 0 HB3 ASN A 868 6.853 -12.864 22.305 1.00 52.43 H new ATOM 0 HD21 ASN A 868 4.751 -9.806 20.723 1.00 4.21 H new ATOM 0 HD22 ASN A 868 5.743 -10.962 19.828 1.00 4.21 H new ATOM 1254 N CYS A 869 9.876 -12.910 23.393 1.00 73.45 N ATOM 1255 CA CYS A 869 10.769 -14.020 23.680 1.00 74.00 C ATOM 1256 C CYS A 869 9.992 -15.067 24.481 1.00 53.21 C ATOM 1257 O CYS A 869 10.386 -16.231 24.535 1.00 42.41 O ATOM 1258 CB CYS A 869 12.028 -13.557 24.416 1.00 35.01 C ATOM 1259 SG CYS A 869 13.288 -13.001 23.211 1.00 21.44 S ATOM 0 H CYS A 869 9.641 -12.332 24.200 1.00 73.45 H new ATOM 0 HA CYS A 869 11.116 -14.462 22.746 1.00 74.00 H new ATOM 0 HB2 CYS A 869 11.782 -12.744 25.099 1.00 35.01 H new ATOM 0 HB3 CYS A 869 12.426 -14.372 25.021 1.00 35.01 H new ATOM 0 HG CYS A 869 12.800 -12.040 22.485 1.00 21.44 H new ATOM 1265 N SER A 870 8.901 -14.615 25.083 1.00 63.21 N ATOM 1266 CA SER A 870 8.065 -15.498 25.878 1.00 25.44 C ATOM 1267 C SER A 870 6.886 -15.997 25.041 1.00 14.34 C ATOM 1268 O SER A 870 5.788 -16.188 25.562 1.00 73.51 O ATOM 1269 CB SER A 870 7.562 -14.792 27.139 1.00 74.33 C ATOM 1270 OG SER A 870 7.162 -15.718 28.146 1.00 65.21 O ATOM 0 H SER A 870 8.577 -13.649 25.036 1.00 63.21 H new ATOM 0 HA SER A 870 8.667 -16.352 26.189 1.00 25.44 H new ATOM 0 HB2 SER A 870 8.348 -14.147 27.531 1.00 74.33 H new ATOM 0 HB3 SER A 870 6.720 -14.149 26.883 1.00 74.33 H new ATOM 0 HG SER A 870 6.534 -16.366 27.764 1.00 65.21 H new ATOM 1276 N HIS A 871 7.152 -16.192 23.758 1.00 23.14 N ATOM 1277 CA HIS A 871 6.126 -16.664 22.844 1.00 23.33 C ATOM 1278 C HIS A 871 6.558 -17.999 22.233 1.00 4.21 C ATOM 1279 O HIS A 871 7.321 -18.026 21.269 1.00 62.04 O ATOM 1280 CB HIS A 871 5.810 -15.603 21.788 1.00 35.54 C ATOM 1281 CG HIS A 871 4.656 -14.699 22.153 1.00 24.11 C ATOM 1282 ND1 HIS A 871 4.160 -13.734 21.294 1.00 32.13 N ATOM 1283 CD2 HIS A 871 3.908 -14.624 23.291 1.00 70.11 C ATOM 1284 CE1 HIS A 871 3.158 -13.112 21.899 1.00 45.33 C ATOM 1285 NE2 HIS A 871 3.004 -13.664 23.136 1.00 23.42 N ATOM 0 H HIS A 871 8.064 -16.032 23.330 1.00 23.14 H new ATOM 0 HA HIS A 871 5.199 -16.837 23.390 1.00 23.33 H new ATOM 0 HB2 HIS A 871 6.698 -14.993 21.623 1.00 35.54 H new ATOM 0 HB3 HIS A 871 5.585 -16.100 20.844 1.00 35.54 H new ATOM 0 HD1 HIS A 871 4.506 -13.535 20.355 1.00 32.13 H new ATOM 0 HD2 HIS A 871 4.030 -15.241 24.169 1.00 70.11 H new ATOM 0 HE1 HIS A 871 2.567 -12.309 21.485 1.00 45.33 H new ATOM 1293 N ASP A 872 6.052 -19.073 22.820 1.00 72.22 N ATOM 1294 CA ASP A 872 6.376 -20.408 22.345 1.00 14.13 C ATOM 1295 C ASP A 872 5.187 -20.969 21.562 1.00 13.53 C ATOM 1296 O ASP A 872 4.045 -20.876 22.010 1.00 31.33 O ATOM 1297 CB ASP A 872 6.661 -21.354 23.514 1.00 53.35 C ATOM 1298 CG ASP A 872 5.420 -21.968 24.166 1.00 64.14 C ATOM 1299 OD1 ASP A 872 4.944 -23.035 23.752 1.00 75.33 O ATOM 1300 OD2 ASP A 872 4.933 -21.295 25.153 1.00 65.14 O ATOM 0 H ASP A 872 5.420 -19.047 23.620 1.00 72.22 H new ATOM 0 HA ASP A 872 7.262 -20.336 21.715 1.00 14.13 H new ATOM 0 HB2 ASP A 872 7.304 -22.160 23.161 1.00 53.35 H new ATOM 0 HB3 ASP A 872 7.221 -20.809 24.274 1.00 53.35 H new ATOM 1306 N TRP A 873 5.496 -21.537 20.406 1.00 33.33 N ATOM 1307 CA TRP A 873 4.467 -22.113 19.557 1.00 51.22 C ATOM 1308 C TRP A 873 4.842 -23.570 19.280 1.00 24.15 C ATOM 1309 O TRP A 873 4.223 -24.227 18.445 1.00 11.21 O ATOM 1310 CB TRP A 873 4.286 -21.290 18.280 1.00 44.41 C ATOM 1311 CG TRP A 873 5.573 -20.632 17.776 1.00 30.32 C ATOM 1312 CD1 TRP A 873 6.427 -19.859 18.461 1.00 62.25 C ATOM 1313 CD2 TRP A 873 6.120 -20.723 16.444 1.00 50.23 C ATOM 1314 NE1 TRP A 873 7.480 -19.446 17.670 1.00 63.31 N ATOM 1315 CE2 TRP A 873 7.288 -19.988 16.405 1.00 75.35 C ATOM 1316 CE3 TRP A 873 5.644 -21.403 15.309 1.00 51.00 C ATOM 1317 CZ2 TRP A 873 8.076 -19.863 15.255 1.00 65.32 C ATOM 1318 CZ3 TRP A 873 6.444 -21.268 14.168 1.00 72.12 C ATOM 1319 CH2 TRP A 873 7.622 -20.532 14.112 1.00 33.31 C ATOM 0 H TRP A 873 6.444 -21.611 20.037 1.00 33.33 H new ATOM 0 HA TRP A 873 3.499 -22.092 20.057 1.00 51.22 H new ATOM 0 HB2 TRP A 873 3.890 -21.936 17.497 1.00 44.41 H new ATOM 0 HB3 TRP A 873 3.541 -20.515 18.462 1.00 44.41 H new ATOM 0 HD1 TRP A 873 6.306 -19.593 19.501 1.00 62.25 H new ATOM 0 HE1 TRP A 873 8.257 -18.852 17.961 1.00 63.31 H new ATOM 0 HE3 TRP A 873 4.733 -21.984 15.317 1.00 51.00 H new ATOM 0 HZ2 TRP A 873 8.986 -19.281 15.250 1.00 65.32 H new ATOM 0 HZ3 TRP A 873 6.123 -21.771 13.268 1.00 72.12 H new ATOM 0 HH2 TRP A 873 8.184 -20.477 13.191 1.00 33.31 H new ATOM 1330 N GLY A 874 5.855 -24.033 19.998 1.00 4.11 N ATOM 1331 CA GLY A 874 6.321 -25.400 19.841 1.00 71.42 C ATOM 1332 C GLY A 874 7.387 -25.740 20.884 1.00 23.01 C ATOM 1333 O GLY A 874 7.534 -25.033 21.880 1.00 71.10 O ATOM 0 H GLY A 874 6.366 -23.485 20.690 1.00 4.11 H new ATOM 0 HA2 GLY A 874 5.481 -26.088 19.937 1.00 71.42 H new ATOM 0 HA3 GLY A 874 6.731 -25.536 18.840 1.00 71.42 H new ATOM 1337 N ILE A 875 8.104 -26.822 20.620 1.00 63.40 N ATOM 1338 CA ILE A 875 9.153 -27.264 21.524 1.00 72.43 C ATOM 1339 C ILE A 875 10.216 -28.026 20.730 1.00 5.12 C ATOM 1340 O ILE A 875 9.931 -28.567 19.663 1.00 42.42 O ATOM 1341 CB ILE A 875 8.558 -28.067 22.683 1.00 61.14 C ATOM 1342 CG1 ILE A 875 7.317 -28.841 22.233 1.00 21.24 C ATOM 1343 CG2 ILE A 875 8.267 -27.164 23.883 1.00 40.33 C ATOM 1344 CD1 ILE A 875 7.642 -29.762 21.056 1.00 70.33 C ATOM 0 H ILE A 875 7.980 -27.406 19.793 1.00 63.40 H new ATOM 0 HA ILE A 875 9.648 -26.407 21.981 1.00 72.43 H new ATOM 0 HB ILE A 875 9.296 -28.801 23.005 1.00 61.14 H new ATOM 0 HG12 ILE A 875 6.930 -29.430 23.064 1.00 21.24 H new ATOM 0 HG13 ILE A 875 6.532 -28.141 21.946 1.00 21.24 H new ATOM 0 HG21 ILE A 875 7.845 -27.759 24.693 1.00 40.33 H new ATOM 0 HG22 ILE A 875 9.193 -26.697 24.220 1.00 40.33 H new ATOM 0 HG23 ILE A 875 7.556 -26.391 23.592 1.00 40.33 H new ATOM 0 HD11 ILE A 875 6.743 -30.300 20.756 1.00 70.33 H new ATOM 0 HD12 ILE A 875 8.005 -29.167 20.218 1.00 70.33 H new ATOM 0 HD13 ILE A 875 8.410 -30.476 21.354 1.00 70.33 H new ATOM 1356 N HIS A 876 11.421 -28.044 21.282 1.00 13.02 N ATOM 1357 CA HIS A 876 12.529 -28.730 20.639 1.00 35.24 C ATOM 1358 C HIS A 876 12.721 -30.106 21.280 1.00 21.21 C ATOM 1359 O HIS A 876 13.138 -30.205 22.433 1.00 34.32 O ATOM 1360 CB HIS A 876 13.796 -27.874 20.681 1.00 33.02 C ATOM 1361 CG HIS A 876 14.719 -28.085 19.505 1.00 72.41 C ATOM 1362 ND1 HIS A 876 14.952 -27.111 18.551 1.00 44.44 N ATOM 1363 CD2 HIS A 876 15.464 -29.168 19.140 1.00 72.01 C ATOM 1364 CE1 HIS A 876 15.800 -27.596 17.656 1.00 44.02 C ATOM 1365 NE2 HIS A 876 16.116 -28.871 18.023 1.00 72.35 N ATOM 0 H HIS A 876 11.654 -27.594 22.167 1.00 13.02 H new ATOM 0 HA HIS A 876 12.302 -28.887 19.585 1.00 35.24 H new ATOM 0 HB2 HIS A 876 13.511 -26.823 20.722 1.00 33.02 H new ATOM 0 HB3 HIS A 876 14.340 -28.093 21.600 1.00 33.02 H new ATOM 0 HD2 HIS A 876 15.515 -30.108 19.670 1.00 72.01 H new ATOM 0 HE1 HIS A 876 16.175 -27.074 16.788 1.00 44.02 H new ATOM 0 HE2 HIS A 876 16.749 -29.494 17.521 1.00 72.35 H new ATOM 1373 N VAL A 877 12.409 -31.134 20.504 1.00 14.32 N ATOM 1374 CA VAL A 877 12.542 -32.500 20.981 1.00 0.43 C ATOM 1375 C VAL A 877 13.416 -33.292 20.007 1.00 31.44 C ATOM 1376 O VAL A 877 13.983 -32.726 19.074 1.00 2.15 O ATOM 1377 CB VAL A 877 11.158 -33.120 21.184 1.00 24.54 C ATOM 1378 CG1 VAL A 877 10.263 -32.203 22.020 1.00 24.52 C ATOM 1379 CG2 VAL A 877 10.503 -33.451 19.842 1.00 65.03 C ATOM 0 H VAL A 877 12.064 -31.048 19.548 1.00 14.32 H new ATOM 0 HA VAL A 877 13.037 -32.520 21.952 1.00 0.43 H new ATOM 0 HB VAL A 877 11.287 -34.053 21.733 1.00 24.54 H new ATOM 0 HG11 VAL A 877 9.285 -32.668 22.149 1.00 24.52 H new ATOM 0 HG12 VAL A 877 10.719 -32.041 22.996 1.00 24.52 H new ATOM 0 HG13 VAL A 877 10.146 -31.246 21.511 1.00 24.52 H new ATOM 0 HG21 VAL A 877 9.521 -33.890 20.015 1.00 65.03 H new ATOM 0 HG22 VAL A 877 10.394 -32.539 19.255 1.00 65.03 H new ATOM 0 HG23 VAL A 877 11.127 -34.160 19.298 1.00 65.03 H new ATOM 1389 N LYS A 878 13.497 -34.591 20.258 1.00 41.04 N ATOM 1390 CA LYS A 878 14.292 -35.467 19.414 1.00 23.44 C ATOM 1391 C LYS A 878 13.482 -36.722 19.083 1.00 71.12 C ATOM 1392 O LYS A 878 12.717 -37.209 19.914 1.00 55.42 O ATOM 1393 CB LYS A 878 15.642 -35.763 20.071 1.00 1.23 C ATOM 1394 CG LYS A 878 16.396 -36.855 19.309 1.00 54.20 C ATOM 1395 CD LYS A 878 17.882 -36.851 19.672 1.00 32.12 C ATOM 1396 CE LYS A 878 18.582 -38.098 19.129 1.00 61.22 C ATOM 1397 NZ LYS A 878 20.052 -37.928 19.172 1.00 14.31 N ATOM 0 H LYS A 878 13.026 -35.057 21.033 1.00 41.04 H new ATOM 0 HA LYS A 878 14.524 -34.977 18.468 1.00 23.44 H new ATOM 0 HB2 LYS A 878 16.243 -34.854 20.100 1.00 1.23 H new ATOM 0 HB3 LYS A 878 15.487 -36.076 21.103 1.00 1.23 H new ATOM 0 HG2 LYS A 878 15.964 -37.829 19.540 1.00 54.20 H new ATOM 0 HG3 LYS A 878 16.280 -36.701 18.236 1.00 54.20 H new ATOM 0 HD2 LYS A 878 18.357 -35.957 19.267 1.00 32.12 H new ATOM 0 HD3 LYS A 878 17.995 -36.809 20.755 1.00 32.12 H new ATOM 0 HE2 LYS A 878 18.293 -38.969 19.717 1.00 61.22 H new ATOM 0 HE3 LYS A 878 18.261 -38.285 18.104 1.00 61.22 H new ATOM 0 HZ1 LYS A 878 20.511 -38.784 18.800 1.00 14.31 H new ATOM 0 HZ2 LYS A 878 20.324 -37.109 18.592 1.00 14.31 H new ATOM 0 HZ3 LYS A 878 20.355 -37.772 20.155 1.00 14.31 H new ATOM 1410 N TYR A 879 13.678 -37.210 17.867 1.00 71.02 N ATOM 1411 CA TYR A 879 12.975 -38.399 17.415 1.00 12.21 C ATOM 1412 C TYR A 879 13.953 -39.439 16.867 1.00 63.35 C ATOM 1413 O TYR A 879 14.976 -39.087 16.281 1.00 51.12 O ATOM 1414 CB TYR A 879 12.052 -37.939 16.285 1.00 14.21 C ATOM 1415 CG TYR A 879 11.061 -39.007 15.817 1.00 44.12 C ATOM 1416 CD1 TYR A 879 10.521 -39.893 16.726 1.00 31.15 C ATOM 1417 CD2 TYR A 879 10.709 -39.084 14.485 1.00 73.41 C ATOM 1418 CE1 TYR A 879 9.589 -40.898 16.286 1.00 71.53 C ATOM 1419 CE2 TYR A 879 9.777 -40.090 14.044 1.00 12.21 C ATOM 1420 CZ TYR A 879 9.263 -40.947 14.966 1.00 32.23 C ATOM 1421 OH TYR A 879 8.383 -41.897 14.550 1.00 14.31 O ATOM 0 H TYR A 879 14.314 -36.804 17.181 1.00 71.02 H new ATOM 0 HA TYR A 879 12.430 -38.859 18.239 1.00 12.21 H new ATOM 0 HB2 TYR A 879 11.496 -37.063 16.618 1.00 14.21 H new ATOM 0 HB3 TYR A 879 12.661 -37.626 15.437 1.00 14.21 H new ATOM 0 HD1 TYR A 879 10.798 -39.833 17.768 1.00 31.15 H new ATOM 0 HD2 TYR A 879 11.132 -38.390 13.773 1.00 73.41 H new ATOM 0 HE1 TYR A 879 9.158 -41.597 16.988 1.00 71.53 H new ATOM 0 HE2 TYR A 879 9.493 -40.162 13.005 1.00 12.21 H new ATOM 0 HH TYR A 879 8.243 -41.813 13.584 1.00 14.31 H new ATOM 1431 N LYS A 880 13.605 -40.700 17.076 1.00 61.43 N ATOM 1432 CA LYS A 880 14.440 -41.795 16.609 1.00 12.55 C ATOM 1433 C LYS A 880 14.981 -41.460 15.218 1.00 60.20 C ATOM 1434 O LYS A 880 16.068 -41.902 14.848 1.00 12.11 O ATOM 1435 CB LYS A 880 13.673 -43.117 16.670 1.00 53.03 C ATOM 1436 CG LYS A 880 13.130 -43.373 18.077 1.00 3.43 C ATOM 1437 CD LYS A 880 14.198 -43.090 19.136 1.00 1.00 C ATOM 1438 CE LYS A 880 13.845 -43.762 20.464 1.00 33.32 C ATOM 1439 NZ LYS A 880 14.487 -43.051 21.592 1.00 13.11 N ATOM 0 H LYS A 880 12.756 -40.989 17.562 1.00 61.43 H new ATOM 0 HA LYS A 880 15.302 -41.924 17.264 1.00 12.55 H new ATOM 0 HB2 LYS A 880 12.849 -43.096 15.957 1.00 53.03 H new ATOM 0 HB3 LYS A 880 14.329 -43.936 16.375 1.00 53.03 H new ATOM 0 HG2 LYS A 880 12.259 -42.742 18.255 1.00 3.43 H new ATOM 0 HG3 LYS A 880 12.796 -44.407 18.159 1.00 3.43 H new ATOM 0 HD2 LYS A 880 15.166 -43.451 18.787 1.00 1.00 H new ATOM 0 HD3 LYS A 880 14.294 -42.014 19.283 1.00 1.00 H new ATOM 0 HE2 LYS A 880 12.763 -43.768 20.599 1.00 33.32 H new ATOM 0 HE3 LYS A 880 14.170 -44.802 20.450 1.00 33.32 H new ATOM 0 HZ1 LYS A 880 14.237 -43.520 22.486 1.00 13.11 H new ATOM 0 HZ2 LYS A 880 15.520 -43.067 21.470 1.00 13.11 H new ATOM 0 HZ3 LYS A 880 14.156 -42.065 21.614 1.00 13.11 H new ATOM 1452 N THR A 881 14.198 -40.683 14.485 1.00 51.05 N ATOM 1453 CA THR A 881 14.585 -40.284 13.142 1.00 71.41 C ATOM 1454 C THR A 881 15.563 -39.109 13.196 1.00 63.44 C ATOM 1455 O THR A 881 16.745 -39.266 12.892 1.00 31.51 O ATOM 1456 CB THR A 881 13.310 -39.978 12.354 1.00 51.13 C ATOM 1457 OG1 THR A 881 12.391 -40.982 12.776 1.00 61.04 O ATOM 1458 CG2 THR A 881 13.474 -40.230 10.853 1.00 0.45 C ATOM 0 H THR A 881 13.297 -40.319 14.795 1.00 51.05 H new ATOM 0 HA THR A 881 15.117 -41.085 12.629 1.00 71.41 H new ATOM 0 HB THR A 881 13.023 -38.939 12.518 1.00 51.13 H new ATOM 0 HG1 THR A 881 11.702 -40.577 13.344 1.00 61.04 H new ATOM 0 HG21 THR A 881 12.540 -39.997 10.341 1.00 0.45 H new ATOM 0 HG22 THR A 881 14.270 -39.596 10.462 1.00 0.45 H new ATOM 0 HG23 THR A 881 13.729 -41.277 10.685 1.00 0.45 H new ATOM 1466 N PHE A 882 15.035 -37.958 13.584 1.00 72.21 N ATOM 1467 CA PHE A 882 15.847 -36.757 13.681 1.00 32.13 C ATOM 1468 C PHE A 882 15.303 -35.813 14.756 1.00 73.14 C ATOM 1469 O PHE A 882 14.241 -36.061 15.325 1.00 23.44 O ATOM 1470 CB PHE A 882 15.776 -36.058 12.322 1.00 25.31 C ATOM 1471 CG PHE A 882 16.396 -36.862 11.177 1.00 52.33 C ATOM 1472 CD1 PHE A 882 17.719 -37.176 11.204 1.00 34.54 C ATOM 1473 CD2 PHE A 882 15.624 -37.261 10.131 1.00 54.12 C ATOM 1474 CE1 PHE A 882 18.293 -37.922 10.141 1.00 4.03 C ATOM 1475 CE2 PHE A 882 16.198 -38.006 9.068 1.00 64.53 C ATOM 1476 CZ PHE A 882 17.521 -38.321 9.095 1.00 22.34 C ATOM 0 H PHE A 882 14.055 -37.831 13.835 1.00 72.21 H new ATOM 0 HA PHE A 882 16.870 -37.020 13.950 1.00 32.13 H new ATOM 0 HB2 PHE A 882 14.732 -35.852 12.085 1.00 25.31 H new ATOM 0 HB3 PHE A 882 16.283 -35.095 12.393 1.00 25.31 H new ATOM 0 HD1 PHE A 882 18.333 -36.858 12.034 1.00 34.54 H new ATOM 0 HD2 PHE A 882 14.574 -37.011 10.109 1.00 54.12 H new ATOM 0 HE1 PHE A 882 19.343 -38.173 10.163 1.00 4.03 H new ATOM 0 HE2 PHE A 882 15.584 -38.323 8.238 1.00 64.53 H new ATOM 0 HZ PHE A 882 17.958 -38.888 8.286 1.00 22.34 H new ATOM 1486 N GLU A 883 16.055 -34.750 15.000 1.00 53.14 N ATOM 1487 CA GLU A 883 15.661 -33.768 15.995 1.00 1.53 C ATOM 1488 C GLU A 883 15.121 -32.509 15.314 1.00 13.42 C ATOM 1489 O GLU A 883 15.827 -31.867 14.538 1.00 12.53 O ATOM 1490 CB GLU A 883 16.829 -33.430 16.924 1.00 42.10 C ATOM 1491 CG GLU A 883 18.125 -33.246 16.131 1.00 33.11 C ATOM 1492 CD GLU A 883 19.113 -32.361 16.893 1.00 10.21 C ATOM 1493 OE1 GLU A 883 18.738 -31.732 17.893 1.00 13.45 O ATOM 1494 OE2 GLU A 883 20.310 -32.341 16.412 1.00 11.13 O ATOM 0 H GLU A 883 16.935 -34.547 14.526 1.00 53.14 H new ATOM 0 HA GLU A 883 14.866 -34.197 16.605 1.00 1.53 H new ATOM 0 HB2 GLU A 883 16.605 -32.519 17.479 1.00 42.10 H new ATOM 0 HB3 GLU A 883 16.957 -34.226 17.657 1.00 42.10 H new ATOM 0 HG2 GLU A 883 18.578 -34.218 15.936 1.00 33.11 H new ATOM 0 HG3 GLU A 883 17.902 -32.798 15.162 1.00 33.11 H new ATOM 1502 N ILE A 884 13.873 -32.193 15.629 1.00 30.33 N ATOM 1503 CA ILE A 884 13.230 -31.023 15.057 1.00 13.44 C ATOM 1504 C ILE A 884 12.127 -30.539 16.002 1.00 64.21 C ATOM 1505 O ILE A 884 11.727 -31.260 16.915 1.00 51.23 O ATOM 1506 CB ILE A 884 12.738 -31.321 13.640 1.00 53.54 C ATOM 1507 CG1 ILE A 884 12.436 -32.810 13.466 1.00 63.54 C ATOM 1508 CG2 ILE A 884 13.733 -30.811 12.595 1.00 24.44 C ATOM 1509 CD1 ILE A 884 11.389 -33.280 14.477 1.00 11.24 C ATOM 0 H ILE A 884 13.290 -32.728 16.273 1.00 30.33 H new ATOM 0 HA ILE A 884 13.945 -30.207 14.956 1.00 13.44 H new ATOM 0 HB ILE A 884 11.803 -30.783 13.483 1.00 53.54 H new ATOM 0 HG12 ILE A 884 12.078 -32.996 12.453 1.00 63.54 H new ATOM 0 HG13 ILE A 884 13.352 -33.387 13.591 1.00 63.54 H new ATOM 0 HG21 ILE A 884 13.359 -31.036 11.596 1.00 24.44 H new ATOM 0 HG22 ILE A 884 13.854 -29.733 12.703 1.00 24.44 H new ATOM 0 HG23 ILE A 884 14.696 -31.300 12.740 1.00 24.44 H new ATOM 0 HD11 ILE A 884 11.193 -34.342 14.331 1.00 11.24 H new ATOM 0 HD12 ILE A 884 11.760 -33.115 15.488 1.00 11.24 H new ATOM 0 HD13 ILE A 884 10.466 -32.718 14.333 1.00 11.24 H new ATOM 1521 N PRO A 885 11.656 -29.290 15.743 1.00 0.14 N ATOM 1522 CA PRO A 885 10.608 -28.702 16.560 1.00 51.31 C ATOM 1523 C PRO A 885 9.247 -29.320 16.234 1.00 31.32 C ATOM 1524 O PRO A 885 8.907 -29.502 15.066 1.00 10.51 O ATOM 1525 CB PRO A 885 10.669 -27.212 16.265 1.00 2.13 C ATOM 1526 CG PRO A 885 11.430 -27.077 14.956 1.00 2.34 C ATOM 1527 CD PRO A 885 12.107 -28.408 14.671 1.00 14.41 C ATOM 0 HA PRO A 885 10.749 -28.890 17.624 1.00 51.31 H new ATOM 0 HB2 PRO A 885 9.668 -26.789 16.180 1.00 2.13 H new ATOM 0 HB3 PRO A 885 11.175 -26.675 17.068 1.00 2.13 H new ATOM 0 HG2 PRO A 885 10.751 -26.813 14.145 1.00 2.34 H new ATOM 0 HG3 PRO A 885 12.170 -26.279 15.025 1.00 2.34 H new ATOM 0 HD2 PRO A 885 11.822 -28.796 13.693 1.00 14.41 H new ATOM 0 HD3 PRO A 885 13.192 -28.308 14.671 1.00 14.41 H new ATOM 1535 N VAL A 886 8.505 -29.627 17.288 1.00 33.00 N ATOM 1536 CA VAL A 886 7.188 -30.221 17.129 1.00 63.21 C ATOM 1537 C VAL A 886 6.120 -29.148 17.346 1.00 34.22 C ATOM 1538 O VAL A 886 6.257 -28.299 18.226 1.00 71.33 O ATOM 1539 CB VAL A 886 7.036 -31.416 18.072 1.00 21.31 C ATOM 1540 CG1 VAL A 886 5.644 -32.038 17.949 1.00 54.01 C ATOM 1541 CG2 VAL A 886 8.127 -32.459 17.817 1.00 54.43 C ATOM 0 H VAL A 886 8.791 -29.476 18.255 1.00 33.00 H new ATOM 0 HA VAL A 886 7.062 -30.605 16.117 1.00 63.21 H new ATOM 0 HB VAL A 886 7.152 -31.053 19.093 1.00 21.31 H new ATOM 0 HG11 VAL A 886 5.563 -32.885 18.630 1.00 54.01 H new ATOM 0 HG12 VAL A 886 4.889 -31.294 18.204 1.00 54.01 H new ATOM 0 HG13 VAL A 886 5.487 -32.379 16.926 1.00 54.01 H new ATOM 0 HG21 VAL A 886 7.996 -33.298 18.501 1.00 54.43 H new ATOM 0 HG22 VAL A 886 8.057 -32.815 16.789 1.00 54.43 H new ATOM 0 HG23 VAL A 886 9.106 -32.009 17.980 1.00 54.43 H new ATOM 1551 N ILE A 887 5.079 -29.221 16.530 1.00 73.24 N ATOM 1552 CA ILE A 887 3.987 -28.267 16.622 1.00 41.45 C ATOM 1553 C ILE A 887 2.655 -29.018 16.594 1.00 34.13 C ATOM 1554 O ILE A 887 2.632 -30.247 16.543 1.00 12.22 O ATOM 1555 CB ILE A 887 4.114 -27.201 15.531 1.00 3.44 C ATOM 1556 CG1 ILE A 887 5.582 -26.945 15.183 1.00 1.23 C ATOM 1557 CG2 ILE A 887 3.388 -25.915 15.934 1.00 63.30 C ATOM 1558 CD1 ILE A 887 5.705 -25.988 13.996 1.00 63.02 C ATOM 0 H ILE A 887 4.969 -29.926 15.802 1.00 73.24 H new ATOM 0 HA ILE A 887 4.030 -27.729 17.569 1.00 41.45 H new ATOM 0 HB ILE A 887 3.630 -27.576 14.629 1.00 3.44 H new ATOM 0 HG12 ILE A 887 6.097 -26.526 16.048 1.00 1.23 H new ATOM 0 HG13 ILE A 887 6.073 -27.889 14.946 1.00 1.23 H new ATOM 0 HG21 ILE A 887 3.494 -25.174 15.142 1.00 63.30 H new ATOM 0 HG22 ILE A 887 2.331 -26.128 16.093 1.00 63.30 H new ATOM 0 HG23 ILE A 887 3.822 -25.526 16.855 1.00 63.30 H new ATOM 0 HD11 ILE A 887 6.758 -25.823 13.769 1.00 63.02 H new ATOM 0 HD12 ILE A 887 5.210 -26.421 13.127 1.00 63.02 H new ATOM 0 HD13 ILE A 887 5.234 -25.037 14.245 1.00 63.02 H new ATOM 1570 N LYS A 888 1.577 -28.248 16.629 1.00 32.35 N ATOM 1571 CA LYS A 888 0.244 -28.826 16.609 1.00 13.15 C ATOM 1572 C LYS A 888 -0.631 -28.045 15.626 1.00 21.23 C ATOM 1573 O LYS A 888 -0.148 -27.147 14.938 1.00 30.32 O ATOM 1574 CB LYS A 888 -0.332 -28.893 18.025 1.00 33.43 C ATOM 1575 CG LYS A 888 -0.235 -27.535 18.722 1.00 10.32 C ATOM 1576 CD LYS A 888 -0.717 -27.626 20.171 1.00 22.15 C ATOM 1577 CE LYS A 888 0.184 -28.551 20.991 1.00 24.44 C ATOM 1578 NZ LYS A 888 -0.245 -29.960 20.841 1.00 10.20 N ATOM 0 H LYS A 888 1.600 -27.229 16.671 1.00 32.35 H new ATOM 0 HA LYS A 888 0.281 -29.856 16.255 1.00 13.15 H new ATOM 0 HB2 LYS A 888 -1.374 -29.210 17.983 1.00 33.43 H new ATOM 0 HB3 LYS A 888 0.206 -29.643 18.605 1.00 33.43 H new ATOM 0 HG2 LYS A 888 0.797 -27.184 18.700 1.00 10.32 H new ATOM 0 HG3 LYS A 888 -0.833 -26.801 18.182 1.00 10.32 H new ATOM 0 HD2 LYS A 888 -0.727 -26.632 20.618 1.00 22.15 H new ATOM 0 HD3 LYS A 888 -1.742 -27.996 20.195 1.00 22.15 H new ATOM 0 HE2 LYS A 888 1.219 -28.443 20.665 1.00 24.44 H new ATOM 0 HE3 LYS A 888 0.149 -28.264 22.042 1.00 24.44 H new ATOM 0 HZ1 LYS A 888 -0.486 -30.351 21.774 1.00 10.20 H new ATOM 0 HZ2 LYS A 888 -1.079 -30.005 20.221 1.00 10.20 H new ATOM 0 HZ3 LYS A 888 0.528 -30.516 20.422 1.00 10.20 H new ATOM 1591 N ILE A 889 -1.902 -28.416 15.592 1.00 54.03 N ATOM 1592 CA ILE A 889 -2.849 -27.762 14.704 1.00 1.33 C ATOM 1593 C ILE A 889 -3.425 -26.528 15.401 1.00 15.41 C ATOM 1594 O ILE A 889 -3.642 -25.496 14.766 1.00 22.45 O ATOM 1595 CB ILE A 889 -3.913 -28.754 14.230 1.00 1.33 C ATOM 1596 CG1 ILE A 889 -4.473 -28.347 12.866 1.00 50.31 C ATOM 1597 CG2 ILE A 889 -5.016 -28.916 15.278 1.00 73.23 C ATOM 1598 CD1 ILE A 889 -5.452 -29.398 12.339 1.00 23.32 C ATOM 0 H ILE A 889 -2.299 -29.161 16.165 1.00 54.03 H new ATOM 0 HA ILE A 889 -2.347 -27.414 13.801 1.00 1.33 H new ATOM 0 HB ILE A 889 -3.441 -29.729 14.106 1.00 1.33 H new ATOM 0 HG12 ILE A 889 -4.977 -27.384 12.949 1.00 50.31 H new ATOM 0 HG13 ILE A 889 -3.655 -28.219 12.157 1.00 50.31 H new ATOM 0 HG21 ILE A 889 -5.760 -29.626 14.917 1.00 73.23 H new ATOM 0 HG22 ILE A 889 -4.583 -29.285 16.208 1.00 73.23 H new ATOM 0 HG23 ILE A 889 -5.492 -27.952 15.457 1.00 73.23 H new ATOM 0 HD11 ILE A 889 -5.835 -29.084 11.368 1.00 23.32 H new ATOM 0 HD12 ILE A 889 -4.938 -30.354 12.234 1.00 23.32 H new ATOM 0 HD13 ILE A 889 -6.281 -29.506 13.038 1.00 23.32 H new ATOM 1610 N GLU A 890 -3.658 -26.674 16.697 1.00 10.02 N ATOM 1611 CA GLU A 890 -4.205 -25.584 17.487 1.00 34.10 C ATOM 1612 C GLU A 890 -3.076 -24.761 18.111 1.00 72.25 C ATOM 1613 O GLU A 890 -3.191 -24.305 19.247 1.00 5.20 O ATOM 1614 CB GLU A 890 -5.158 -26.111 18.562 1.00 11.31 C ATOM 1615 CG GLU A 890 -4.396 -26.891 19.636 1.00 53.54 C ATOM 1616 CD GLU A 890 -5.318 -27.877 20.354 1.00 34.54 C ATOM 1617 OE1 GLU A 890 -5.435 -29.037 19.932 1.00 70.42 O ATOM 1618 OE2 GLU A 890 -5.926 -27.402 21.388 1.00 22.14 O ATOM 0 H GLU A 890 -3.478 -27.531 17.220 1.00 10.02 H new ATOM 0 HA GLU A 890 -4.779 -24.934 16.826 1.00 34.10 H new ATOM 0 HB2 GLU A 890 -5.690 -25.278 19.021 1.00 11.31 H new ATOM 0 HB3 GLU A 890 -5.909 -26.755 18.104 1.00 11.31 H new ATOM 0 HG2 GLU A 890 -3.566 -27.430 19.179 1.00 53.54 H new ATOM 0 HG3 GLU A 890 -3.966 -26.197 20.358 1.00 53.54 H new ATOM 1626 N SER A 891 -2.012 -24.597 17.339 1.00 4.43 N ATOM 1627 CA SER A 891 -0.863 -23.837 17.802 1.00 43.32 C ATOM 1628 C SER A 891 -0.671 -22.595 16.928 1.00 24.15 C ATOM 1629 O SER A 891 -0.558 -21.483 17.441 1.00 41.30 O ATOM 1630 CB SER A 891 0.405 -24.694 17.792 1.00 14.31 C ATOM 1631 OG SER A 891 0.386 -25.662 16.747 1.00 62.21 O ATOM 0 H SER A 891 -1.921 -24.977 16.397 1.00 4.43 H new ATOM 0 HA SER A 891 -1.050 -23.526 18.830 1.00 43.32 H new ATOM 0 HB2 SER A 891 1.277 -24.050 17.674 1.00 14.31 H new ATOM 0 HB3 SER A 891 0.509 -25.199 18.752 1.00 14.31 H new ATOM 0 HG SER A 891 0.413 -25.207 15.879 1.00 62.21 H new ATOM 1637 N PHE A 892 -0.639 -22.827 15.624 1.00 31.35 N ATOM 1638 CA PHE A 892 -0.463 -21.742 14.675 1.00 4.40 C ATOM 1639 C PHE A 892 -1.709 -21.566 13.805 1.00 0.22 C ATOM 1640 O PHE A 892 -2.701 -22.270 13.986 1.00 11.03 O ATOM 1641 CB PHE A 892 0.720 -22.118 13.780 1.00 2.35 C ATOM 1642 CG PHE A 892 0.701 -23.571 13.301 1.00 14.41 C ATOM 1643 CD1 PHE A 892 -0.346 -24.029 12.564 1.00 72.31 C ATOM 1644 CD2 PHE A 892 1.730 -24.403 13.612 1.00 30.31 C ATOM 1645 CE1 PHE A 892 -0.364 -25.378 12.119 1.00 54.31 C ATOM 1646 CE2 PHE A 892 1.712 -25.752 13.167 1.00 13.41 C ATOM 1647 CZ PHE A 892 0.665 -26.210 12.430 1.00 60.31 C ATOM 0 H PHE A 892 -0.732 -23.751 15.203 1.00 31.35 H new ATOM 0 HA PHE A 892 -0.290 -20.807 15.208 1.00 4.40 H new ATOM 0 HB2 PHE A 892 0.729 -21.460 12.911 1.00 2.35 H new ATOM 0 HB3 PHE A 892 1.646 -21.938 14.325 1.00 2.35 H new ATOM 0 HD1 PHE A 892 -1.163 -23.368 12.317 1.00 72.31 H new ATOM 0 HD2 PHE A 892 2.561 -24.038 14.197 1.00 30.31 H new ATOM 0 HE1 PHE A 892 -1.195 -25.743 11.534 1.00 54.31 H new ATOM 0 HE2 PHE A 892 2.529 -26.413 13.414 1.00 13.41 H new ATOM 0 HZ PHE A 892 0.651 -27.235 12.092 1.00 60.31 H new ATOM 1657 N VAL A 893 -1.617 -20.622 12.879 1.00 32.45 N ATOM 1658 CA VAL A 893 -2.725 -20.345 11.981 1.00 30.11 C ATOM 1659 C VAL A 893 -2.265 -20.543 10.535 1.00 34.43 C ATOM 1660 O VAL A 893 -1.074 -20.701 10.275 1.00 24.21 O ATOM 1661 CB VAL A 893 -3.275 -18.942 12.246 1.00 35.44 C ATOM 1662 CG1 VAL A 893 -3.155 -18.577 13.727 1.00 22.12 C ATOM 1663 CG2 VAL A 893 -2.577 -17.904 11.367 1.00 43.24 C ATOM 0 H VAL A 893 -0.792 -20.040 12.732 1.00 32.45 H new ATOM 0 HA VAL A 893 -3.545 -21.040 12.160 1.00 30.11 H new ATOM 0 HB VAL A 893 -4.334 -18.943 11.986 1.00 35.44 H new ATOM 0 HG11 VAL A 893 -3.553 -17.575 13.888 1.00 22.12 H new ATOM 0 HG12 VAL A 893 -3.720 -19.292 14.325 1.00 22.12 H new ATOM 0 HG13 VAL A 893 -2.107 -18.603 14.024 1.00 22.12 H new ATOM 0 HG21 VAL A 893 -2.987 -16.916 11.576 1.00 43.24 H new ATOM 0 HG22 VAL A 893 -1.508 -17.906 11.581 1.00 43.24 H new ATOM 0 HG23 VAL A 893 -2.738 -18.149 10.317 1.00 43.24 H new ATOM 1673 N VAL A 894 -3.235 -20.529 9.633 1.00 51.25 N ATOM 1674 CA VAL A 894 -2.945 -20.705 8.220 1.00 60.13 C ATOM 1675 C VAL A 894 -3.499 -19.513 7.437 1.00 2.31 C ATOM 1676 O VAL A 894 -4.712 -19.365 7.300 1.00 72.30 O ATOM 1677 CB VAL A 894 -3.498 -22.047 7.735 1.00 0.03 C ATOM 1678 CG1 VAL A 894 -2.390 -23.098 7.651 1.00 22.43 C ATOM 1679 CG2 VAL A 894 -4.641 -22.525 8.633 1.00 21.12 C ATOM 0 H VAL A 894 -4.222 -20.399 9.853 1.00 51.25 H new ATOM 0 HA VAL A 894 -1.868 -20.732 8.052 1.00 60.13 H new ATOM 0 HB VAL A 894 -3.898 -21.902 6.732 1.00 0.03 H new ATOM 0 HG11 VAL A 894 -2.810 -24.042 7.304 1.00 22.43 H new ATOM 0 HG12 VAL A 894 -1.623 -22.763 6.953 1.00 22.43 H new ATOM 0 HG13 VAL A 894 -1.946 -23.239 8.637 1.00 22.43 H new ATOM 0 HG21 VAL A 894 -5.016 -23.481 8.267 1.00 21.12 H new ATOM 0 HG22 VAL A 894 -4.276 -22.645 9.653 1.00 21.12 H new ATOM 0 HG23 VAL A 894 -5.446 -21.790 8.620 1.00 21.12 H new ATOM 1689 N GLU A 895 -2.583 -18.692 6.944 1.00 23.23 N ATOM 1690 CA GLU A 895 -2.964 -17.517 6.179 1.00 32.41 C ATOM 1691 C GLU A 895 -2.670 -17.733 4.693 1.00 4.03 C ATOM 1692 O GLU A 895 -1.540 -17.539 4.246 1.00 13.22 O ATOM 1693 CB GLU A 895 -2.254 -16.267 6.703 1.00 34.40 C ATOM 1694 CG GLU A 895 -2.983 -14.997 6.261 1.00 54.10 C ATOM 1695 CD GLU A 895 -2.289 -13.748 6.808 1.00 12.00 C ATOM 1696 OE1 GLU A 895 -2.730 -13.188 7.823 1.00 25.52 O ATOM 1697 OE2 GLU A 895 -1.256 -13.362 6.140 1.00 44.23 O ATOM 0 H GLU A 895 -1.577 -18.818 7.060 1.00 23.23 H new ATOM 0 HA GLU A 895 -4.036 -17.362 6.298 1.00 32.41 H new ATOM 0 HB2 GLU A 895 -2.204 -16.302 7.791 1.00 34.40 H new ATOM 0 HB3 GLU A 895 -1.227 -16.247 6.337 1.00 34.40 H new ATOM 0 HG2 GLU A 895 -3.015 -14.952 5.172 1.00 54.10 H new ATOM 0 HG3 GLU A 895 -4.015 -15.026 6.610 1.00 54.10 H new ATOM 1705 N ASP A 896 -3.705 -18.131 3.969 1.00 31.52 N ATOM 1706 CA ASP A 896 -3.571 -18.376 2.543 1.00 14.50 C ATOM 1707 C ASP A 896 -2.896 -17.171 1.885 1.00 52.41 C ATOM 1708 O ASP A 896 -3.204 -16.026 2.214 1.00 43.12 O ATOM 1709 CB ASP A 896 -4.940 -18.568 1.886 1.00 1.55 C ATOM 1710 CG ASP A 896 -5.241 -19.995 1.424 1.00 44.42 C ATOM 1711 OD1 ASP A 896 -4.843 -20.406 0.324 1.00 75.33 O ATOM 1712 OD2 ASP A 896 -5.923 -20.705 2.257 1.00 62.33 O ATOM 0 H ASP A 896 -4.641 -18.290 4.343 1.00 31.52 H new ATOM 0 HA ASP A 896 -2.977 -19.280 2.410 1.00 14.50 H new ATOM 0 HB2 ASP A 896 -5.711 -18.260 2.592 1.00 1.55 H new ATOM 0 HB3 ASP A 896 -5.010 -17.901 1.026 1.00 1.55 H new ATOM 1718 N ILE A 897 -1.989 -17.470 0.967 1.00 5.52 N ATOM 1719 CA ILE A 897 -1.267 -16.425 0.260 1.00 72.10 C ATOM 1720 C ILE A 897 -2.055 -16.023 -0.989 1.00 24.42 C ATOM 1721 O ILE A 897 -1.774 -14.993 -1.600 1.00 25.44 O ATOM 1722 CB ILE A 897 0.167 -16.869 -0.034 1.00 22.32 C ATOM 1723 CG1 ILE A 897 0.673 -17.835 1.040 1.00 72.23 C ATOM 1724 CG2 ILE A 897 1.092 -15.662 -0.200 1.00 10.32 C ATOM 1725 CD1 ILE A 897 0.721 -19.269 0.508 1.00 35.23 C ATOM 0 H ILE A 897 -1.737 -18.421 0.696 1.00 5.52 H new ATOM 0 HA ILE A 897 -1.179 -15.535 0.883 1.00 72.10 H new ATOM 0 HB ILE A 897 0.170 -17.409 -0.981 1.00 22.32 H new ATOM 0 HG12 ILE A 897 1.667 -17.531 1.368 1.00 72.23 H new ATOM 0 HG13 ILE A 897 0.021 -17.788 1.912 1.00 72.23 H new ATOM 0 HG21 ILE A 897 2.105 -16.006 -0.408 1.00 10.32 H new ATOM 0 HG22 ILE A 897 0.741 -15.046 -1.028 1.00 10.32 H new ATOM 0 HG23 ILE A 897 1.090 -15.073 0.717 1.00 10.32 H new ATOM 0 HD11 ILE A 897 1.084 -19.935 1.291 1.00 35.23 H new ATOM 0 HD12 ILE A 897 -0.279 -19.578 0.203 1.00 35.23 H new ATOM 0 HD13 ILE A 897 1.392 -19.317 -0.349 1.00 35.23 H new ATOM 1737 N ALA A 898 -3.025 -16.858 -1.331 1.00 52.32 N ATOM 1738 CA ALA A 898 -3.855 -16.602 -2.496 1.00 72.42 C ATOM 1739 C ALA A 898 -5.106 -15.833 -2.067 1.00 33.30 C ATOM 1740 O ALA A 898 -5.801 -15.256 -2.902 1.00 10.33 O ATOM 1741 CB ALA A 898 -4.192 -17.927 -3.183 1.00 73.32 C ATOM 0 H ALA A 898 -3.255 -17.712 -0.822 1.00 52.32 H new ATOM 0 HA ALA A 898 -3.322 -15.986 -3.220 1.00 72.42 H new ATOM 0 HB1 ALA A 898 -4.815 -17.736 -4.057 1.00 73.32 H new ATOM 0 HB2 ALA A 898 -3.271 -18.420 -3.494 1.00 73.32 H new ATOM 0 HB3 ALA A 898 -4.731 -18.571 -2.488 1.00 73.32 H new ATOM 1747 N THR A 899 -5.355 -15.851 -0.766 1.00 14.22 N ATOM 1748 CA THR A 899 -6.511 -15.162 -0.216 1.00 24.23 C ATOM 1749 C THR A 899 -6.074 -14.160 0.855 1.00 52.13 C ATOM 1750 O THR A 899 -6.507 -13.009 0.846 1.00 53.33 O ATOM 1751 CB THR A 899 -7.488 -16.219 0.304 1.00 42.25 C ATOM 1752 OG1 THR A 899 -6.837 -16.760 1.450 1.00 14.52 O ATOM 1753 CG2 THR A 899 -7.620 -17.411 -0.646 1.00 54.14 C ATOM 0 H THR A 899 -4.777 -16.331 -0.077 1.00 14.22 H new ATOM 0 HA THR A 899 -7.021 -14.574 -0.979 1.00 24.23 H new ATOM 0 HB THR A 899 -8.467 -15.765 0.456 1.00 42.25 H new ATOM 0 HG1 THR A 899 -7.263 -17.607 1.699 1.00 14.52 H new ATOM 0 HG21 THR A 899 -8.325 -18.131 -0.230 1.00 54.14 H new ATOM 0 HG22 THR A 899 -7.983 -17.066 -1.614 1.00 54.14 H new ATOM 0 HG23 THR A 899 -6.647 -17.886 -0.771 1.00 54.14 H new ATOM 1761 N GLY A 900 -5.222 -14.634 1.751 1.00 30.25 N ATOM 1762 CA GLY A 900 -4.722 -13.794 2.826 1.00 12.14 C ATOM 1763 C GLY A 900 -5.630 -13.877 4.055 1.00 33.20 C ATOM 1764 O GLY A 900 -5.643 -12.969 4.885 1.00 61.23 O ATOM 0 H GLY A 900 -4.865 -15.589 1.755 1.00 30.25 H new ATOM 0 HA2 GLY A 900 -3.712 -14.104 3.094 1.00 12.14 H new ATOM 0 HA3 GLY A 900 -4.659 -12.761 2.485 1.00 12.14 H new ATOM 1768 N VAL A 901 -6.368 -14.975 4.133 1.00 50.04 N ATOM 1769 CA VAL A 901 -7.277 -15.189 5.246 1.00 40.31 C ATOM 1770 C VAL A 901 -6.667 -16.210 6.208 1.00 72.43 C ATOM 1771 O VAL A 901 -6.342 -17.328 5.808 1.00 14.51 O ATOM 1772 CB VAL A 901 -8.654 -15.606 4.725 1.00 42.22 C ATOM 1773 CG1 VAL A 901 -8.525 -16.604 3.573 1.00 65.23 C ATOM 1774 CG2 VAL A 901 -9.516 -16.177 5.852 1.00 74.33 C ATOM 0 H VAL A 901 -6.355 -15.726 3.443 1.00 50.04 H new ATOM 0 HA VAL A 901 -7.422 -14.264 5.804 1.00 40.31 H new ATOM 0 HB VAL A 901 -9.151 -14.715 4.342 1.00 42.22 H new ATOM 0 HG11 VAL A 901 -9.518 -16.884 3.221 1.00 65.23 H new ATOM 0 HG12 VAL A 901 -7.966 -16.147 2.756 1.00 65.23 H new ATOM 0 HG13 VAL A 901 -7.999 -17.493 3.919 1.00 65.23 H new ATOM 0 HG21 VAL A 901 -10.489 -16.466 5.455 1.00 74.33 H new ATOM 0 HG22 VAL A 901 -9.024 -17.051 6.279 1.00 74.33 H new ATOM 0 HG23 VAL A 901 -9.649 -15.422 6.626 1.00 74.33 H new ATOM 1784 N GLN A 902 -6.530 -15.791 7.457 1.00 60.01 N ATOM 1785 CA GLN A 902 -5.965 -16.656 8.479 1.00 41.31 C ATOM 1786 C GLN A 902 -7.029 -17.621 9.005 1.00 1.24 C ATOM 1787 O GLN A 902 -8.222 -17.325 8.952 1.00 44.13 O ATOM 1788 CB GLN A 902 -5.358 -15.834 9.618 1.00 70.20 C ATOM 1789 CG GLN A 902 -4.483 -14.704 9.073 1.00 40.41 C ATOM 1790 CD GLN A 902 -4.027 -13.772 10.198 1.00 62.41 C ATOM 1791 OE1 GLN A 902 -4.115 -12.559 10.108 1.00 2.23 O ATOM 1792 NE2 GLN A 902 -3.536 -14.406 11.259 1.00 21.12 N ATOM 0 H GLN A 902 -6.800 -14.864 7.785 1.00 60.01 H new ATOM 0 HA GLN A 902 -5.163 -17.241 8.030 1.00 41.31 H new ATOM 0 HB2 GLN A 902 -6.154 -15.417 10.235 1.00 70.20 H new ATOM 0 HB3 GLN A 902 -4.763 -16.482 10.261 1.00 70.20 H new ATOM 0 HG2 GLN A 902 -3.613 -15.124 8.569 1.00 40.41 H new ATOM 0 HG3 GLN A 902 -5.039 -14.135 8.328 1.00 40.41 H new ATOM 0 HE21 GLN A 902 -3.491 -15.425 11.269 1.00 21.12 H new ATOM 0 HE22 GLN A 902 -3.204 -13.873 12.063 1.00 21.12 H new ATOM 1801 N THR A 903 -6.559 -18.756 9.502 1.00 0.54 N ATOM 1802 CA THR A 903 -7.455 -19.766 10.038 1.00 13.12 C ATOM 1803 C THR A 903 -6.732 -20.622 11.080 1.00 52.21 C ATOM 1804 O THR A 903 -5.607 -21.065 10.852 1.00 14.44 O ATOM 1805 CB THR A 903 -8.010 -20.576 8.865 1.00 64.32 C ATOM 1806 OG1 THR A 903 -8.255 -19.602 7.855 1.00 44.53 O ATOM 1807 CG2 THR A 903 -9.392 -21.163 9.159 1.00 24.14 C ATOM 0 H THR A 903 -5.569 -18.998 9.545 1.00 0.54 H new ATOM 0 HA THR A 903 -8.295 -19.311 10.564 1.00 13.12 H new ATOM 0 HB THR A 903 -7.318 -21.382 8.622 1.00 64.32 H new ATOM 0 HG1 THR A 903 -8.616 -20.042 7.057 1.00 44.53 H new ATOM 0 HG21 THR A 903 -9.739 -21.728 8.294 1.00 24.14 H new ATOM 0 HG22 THR A 903 -9.330 -21.824 10.023 1.00 24.14 H new ATOM 0 HG23 THR A 903 -10.093 -20.355 9.370 1.00 24.14 H new ATOM 1815 N LEU A 904 -7.408 -20.829 12.201 1.00 63.13 N ATOM 1816 CA LEU A 904 -6.844 -21.624 13.278 1.00 23.13 C ATOM 1817 C LEU A 904 -7.869 -22.668 13.727 1.00 44.24 C ATOM 1818 O LEU A 904 -8.943 -22.319 14.213 1.00 53.13 O ATOM 1819 CB LEU A 904 -6.351 -20.720 14.410 1.00 14.11 C ATOM 1820 CG LEU A 904 -7.041 -19.359 14.530 1.00 62.33 C ATOM 1821 CD1 LEU A 904 -8.420 -19.499 15.176 1.00 13.44 C ATOM 1822 CD2 LEU A 904 -6.156 -18.360 15.277 1.00 3.12 C ATOM 0 H LEU A 904 -8.341 -20.460 12.386 1.00 63.13 H new ATOM 0 HA LEU A 904 -5.966 -22.168 12.930 1.00 23.13 H new ATOM 0 HB2 LEU A 904 -6.474 -21.252 15.353 1.00 14.11 H new ATOM 0 HB3 LEU A 904 -5.282 -20.553 14.276 1.00 14.11 H new ATOM 0 HG LEU A 904 -7.195 -18.964 13.526 1.00 62.33 H new ATOM 0 HD11 LEU A 904 -8.889 -18.518 15.249 1.00 13.44 H new ATOM 0 HD12 LEU A 904 -9.043 -20.154 14.566 1.00 13.44 H new ATOM 0 HD13 LEU A 904 -8.313 -19.926 16.173 1.00 13.44 H new ATOM 0 HD21 LEU A 904 -6.670 -17.401 15.348 1.00 3.12 H new ATOM 0 HD22 LEU A 904 -5.948 -18.736 16.279 1.00 3.12 H new ATOM 0 HD23 LEU A 904 -5.218 -18.230 14.737 1.00 3.12 H new ATOM 1834 N TYR A 905 -7.500 -23.928 13.547 1.00 40.30 N ATOM 1835 CA TYR A 905 -8.374 -25.025 13.927 1.00 40.41 C ATOM 1836 C TYR A 905 -8.195 -25.382 15.404 1.00 60.12 C ATOM 1837 O TYR A 905 -7.438 -24.726 16.118 1.00 54.43 O ATOM 1838 CB TYR A 905 -7.949 -26.219 13.070 1.00 5.23 C ATOM 1839 CG TYR A 905 -7.873 -25.915 11.573 1.00 44.22 C ATOM 1840 CD1 TYR A 905 -8.838 -25.127 10.979 1.00 60.34 C ATOM 1841 CD2 TYR A 905 -6.839 -26.428 10.816 1.00 41.10 C ATOM 1842 CE1 TYR A 905 -8.767 -24.841 9.569 1.00 25.12 C ATOM 1843 CE2 TYR A 905 -6.767 -26.142 9.407 1.00 55.35 C ATOM 1844 CZ TYR A 905 -7.735 -25.362 8.853 1.00 62.43 C ATOM 1845 OH TYR A 905 -7.667 -25.092 7.522 1.00 73.15 O ATOM 0 H TYR A 905 -6.608 -24.213 13.143 1.00 40.30 H new ATOM 0 HA TYR A 905 -9.419 -24.754 13.776 1.00 40.41 H new ATOM 0 HB2 TYR A 905 -6.974 -26.568 13.409 1.00 5.23 H new ATOM 0 HB3 TYR A 905 -8.653 -27.036 13.229 1.00 5.23 H new ATOM 0 HD1 TYR A 905 -9.646 -24.725 11.571 1.00 60.34 H new ATOM 0 HD2 TYR A 905 -6.084 -27.044 11.281 1.00 41.10 H new ATOM 0 HE1 TYR A 905 -9.516 -24.227 9.091 1.00 25.12 H new ATOM 0 HE2 TYR A 905 -5.963 -26.537 8.803 1.00 55.35 H new ATOM 0 HH TYR A 905 -8.170 -25.770 7.025 1.00 73.15 H new ATOM 1855 N SER A 906 -8.904 -26.422 15.818 1.00 1.21 N ATOM 1856 CA SER A 906 -8.833 -26.874 17.197 1.00 21.40 C ATOM 1857 C SER A 906 -8.301 -28.308 17.251 1.00 40.05 C ATOM 1858 O SER A 906 -7.330 -28.588 17.952 1.00 12.00 O ATOM 1859 CB SER A 906 -10.202 -26.791 17.875 1.00 3.54 C ATOM 1860 OG SER A 906 -11.237 -27.326 17.056 1.00 54.32 O ATOM 0 H SER A 906 -9.530 -26.964 15.223 1.00 1.21 H new ATOM 0 HA SER A 906 -8.150 -26.219 17.737 1.00 21.40 H new ATOM 0 HB2 SER A 906 -10.172 -27.333 18.820 1.00 3.54 H new ATOM 0 HB3 SER A 906 -10.427 -25.751 18.111 1.00 3.54 H new ATOM 0 HG SER A 906 -12.095 -27.256 17.525 1.00 54.32 H new ATOM 1866 N LYS A 907 -8.960 -29.178 16.500 1.00 73.21 N ATOM 1867 CA LYS A 907 -8.566 -30.576 16.453 1.00 50.11 C ATOM 1868 C LYS A 907 -7.877 -30.862 15.117 1.00 31.32 C ATOM 1869 O LYS A 907 -8.090 -30.147 14.139 1.00 23.41 O ATOM 1870 CB LYS A 907 -9.768 -31.481 16.732 1.00 65.23 C ATOM 1871 CG LYS A 907 -9.316 -32.903 17.072 1.00 44.05 C ATOM 1872 CD LYS A 907 -8.380 -32.906 18.282 1.00 33.34 C ATOM 1873 CE LYS A 907 -8.929 -32.018 19.401 1.00 23.31 C ATOM 1874 NZ LYS A 907 -8.308 -32.375 20.697 1.00 54.32 N ATOM 0 H LYS A 907 -9.764 -28.942 15.919 1.00 73.21 H new ATOM 0 HA LYS A 907 -7.843 -30.795 17.238 1.00 50.11 H new ATOM 0 HB2 LYS A 907 -10.351 -31.073 17.558 1.00 65.23 H new ATOM 0 HB3 LYS A 907 -10.422 -31.502 15.860 1.00 65.23 H new ATOM 0 HG2 LYS A 907 -10.187 -33.525 17.280 1.00 44.05 H new ATOM 0 HG3 LYS A 907 -8.808 -33.342 16.213 1.00 44.05 H new ATOM 0 HD2 LYS A 907 -8.257 -33.925 18.649 1.00 33.34 H new ATOM 0 HD3 LYS A 907 -7.393 -32.553 17.984 1.00 33.34 H new ATOM 0 HE2 LYS A 907 -8.731 -30.971 19.172 1.00 23.31 H new ATOM 0 HE3 LYS A 907 -10.011 -32.132 19.466 1.00 23.31 H new ATOM 0 HZ1 LYS A 907 -8.691 -31.763 21.446 1.00 54.32 H new ATOM 0 HZ2 LYS A 907 -8.518 -33.369 20.920 1.00 54.32 H new ATOM 0 HZ3 LYS A 907 -7.278 -32.244 20.636 1.00 54.32 H new ATOM 1887 N TRP A 908 -7.066 -31.910 15.119 1.00 44.40 N ATOM 1888 CA TRP A 908 -6.344 -32.299 13.919 1.00 31.44 C ATOM 1889 C TRP A 908 -7.372 -32.647 12.841 1.00 14.21 C ATOM 1890 O TRP A 908 -7.067 -32.604 11.650 1.00 30.13 O ATOM 1891 CB TRP A 908 -5.374 -33.445 14.211 1.00 24.45 C ATOM 1892 CG TRP A 908 -3.986 -32.986 14.665 1.00 54.01 C ATOM 1893 CD1 TRP A 908 -3.679 -31.955 15.464 1.00 60.11 C ATOM 1894 CD2 TRP A 908 -2.723 -33.588 14.311 1.00 51.40 C ATOM 1895 NE1 TRP A 908 -2.316 -31.848 15.650 1.00 23.52 N ATOM 1896 CE2 TRP A 908 -1.716 -32.873 14.927 1.00 50.12 C ATOM 1897 CE3 TRP A 908 -2.441 -34.699 13.497 1.00 21.05 C ATOM 1898 CZ2 TRP A 908 -0.359 -33.190 14.794 1.00 70.32 C ATOM 1899 CZ3 TRP A 908 -1.080 -35.003 13.375 1.00 62.34 C ATOM 1900 CH2 TRP A 908 -0.054 -34.294 13.988 1.00 40.31 C ATOM 0 H TRP A 908 -6.893 -32.501 15.932 1.00 44.40 H new ATOM 0 HA TRP A 908 -5.725 -31.478 13.558 1.00 31.44 H new ATOM 0 HB2 TRP A 908 -5.804 -34.084 14.982 1.00 24.45 H new ATOM 0 HB3 TRP A 908 -5.268 -34.055 13.314 1.00 24.45 H new ATOM 0 HD1 TRP A 908 -4.407 -31.291 15.907 1.00 60.11 H new ATOM 0 HE1 TRP A 908 -1.837 -31.146 16.214 1.00 23.52 H new ATOM 0 HE3 TRP A 908 -3.213 -35.272 13.005 1.00 21.05 H new ATOM 0 HZ2 TRP A 908 0.411 -32.614 15.286 1.00 70.32 H new ATOM 0 HZ3 TRP A 908 -0.808 -35.849 12.761 1.00 62.34 H new ATOM 0 HH2 TRP A 908 0.974 -34.593 13.844 1.00 40.31 H new ATOM 1911 N LYS A 909 -8.570 -32.983 13.297 1.00 30.01 N ATOM 1912 CA LYS A 909 -9.645 -33.338 12.386 1.00 12.33 C ATOM 1913 C LYS A 909 -9.702 -32.316 11.249 1.00 50.02 C ATOM 1914 O LYS A 909 -10.160 -32.629 10.151 1.00 11.20 O ATOM 1915 CB LYS A 909 -10.965 -33.486 13.147 1.00 44.53 C ATOM 1916 CG LYS A 909 -11.531 -32.118 13.533 1.00 51.31 C ATOM 1917 CD LYS A 909 -12.520 -32.242 14.694 1.00 5.42 C ATOM 1918 CE LYS A 909 -13.844 -32.846 14.224 1.00 13.14 C ATOM 1919 NZ LYS A 909 -14.407 -32.055 13.107 1.00 34.12 N ATOM 0 H LYS A 909 -8.820 -33.017 14.285 1.00 30.01 H new ATOM 0 HA LYS A 909 -9.455 -34.310 11.932 1.00 12.33 H new ATOM 0 HB2 LYS A 909 -11.687 -34.021 12.530 1.00 44.53 H new ATOM 0 HB3 LYS A 909 -10.807 -34.084 14.044 1.00 44.53 H new ATOM 0 HG2 LYS A 909 -10.717 -31.450 13.814 1.00 51.31 H new ATOM 0 HG3 LYS A 909 -12.029 -31.670 12.673 1.00 51.31 H new ATOM 0 HD2 LYS A 909 -12.090 -32.865 15.478 1.00 5.42 H new ATOM 0 HD3 LYS A 909 -12.699 -31.259 15.130 1.00 5.42 H new ATOM 0 HE2 LYS A 909 -13.687 -33.876 13.905 1.00 13.14 H new ATOM 0 HE3 LYS A 909 -14.553 -32.873 15.052 1.00 13.14 H new ATOM 0 HZ1 LYS A 909 -15.441 -32.004 13.205 1.00 34.12 H new ATOM 0 HZ2 LYS A 909 -14.009 -31.094 13.127 1.00 34.12 H new ATOM 0 HZ3 LYS A 909 -14.167 -32.510 12.203 1.00 34.12 H new ATOM 1932 N ASP A 910 -9.230 -31.115 11.551 1.00 70.44 N ATOM 1933 CA ASP A 910 -9.221 -30.046 10.567 1.00 13.21 C ATOM 1934 C ASP A 910 -7.883 -30.052 9.825 1.00 13.11 C ATOM 1935 O ASP A 910 -7.341 -28.995 9.506 1.00 14.33 O ATOM 1936 CB ASP A 910 -9.384 -28.680 11.237 1.00 31.12 C ATOM 1937 CG ASP A 910 -10.047 -27.609 10.369 1.00 0.31 C ATOM 1938 OD1 ASP A 910 -9.747 -27.480 9.173 1.00 61.32 O ATOM 1939 OD2 ASP A 910 -10.918 -26.876 10.977 1.00 24.21 O ATOM 0 H ASP A 910 -8.851 -30.859 12.463 1.00 70.44 H new ATOM 0 HA ASP A 910 -10.051 -30.213 9.880 1.00 13.21 H new ATOM 0 HB2 ASP A 910 -9.973 -28.806 12.146 1.00 31.12 H new ATOM 0 HB3 ASP A 910 -8.401 -28.322 11.542 1.00 31.12 H new ATOM 1945 N PHE A 911 -7.389 -31.255 9.572 1.00 50.22 N ATOM 1946 CA PHE A 911 -6.125 -31.412 8.873 1.00 24.53 C ATOM 1947 C PHE A 911 -6.233 -30.928 7.426 1.00 15.32 C ATOM 1948 O PHE A 911 -7.327 -30.879 6.865 1.00 42.13 O ATOM 1949 CB PHE A 911 -5.796 -32.907 8.875 1.00 53.32 C ATOM 1950 CG PHE A 911 -6.853 -33.777 8.192 1.00 54.22 C ATOM 1951 CD1 PHE A 911 -6.962 -33.776 6.836 1.00 33.01 C ATOM 1952 CD2 PHE A 911 -7.684 -34.551 8.940 1.00 11.12 C ATOM 1953 CE1 PHE A 911 -7.943 -34.583 6.202 1.00 34.42 C ATOM 1954 CE2 PHE A 911 -8.665 -35.358 8.306 1.00 33.33 C ATOM 1955 CZ PHE A 911 -8.774 -35.358 6.951 1.00 52.54 C ATOM 0 H PHE A 911 -7.841 -32.130 9.838 1.00 50.22 H new ATOM 0 HA PHE A 911 -5.352 -30.824 9.367 1.00 24.53 H new ATOM 0 HB2 PHE A 911 -4.838 -33.059 8.377 1.00 53.32 H new ATOM 0 HB3 PHE A 911 -5.676 -33.241 9.906 1.00 53.32 H new ATOM 0 HD1 PHE A 911 -6.302 -33.161 6.242 1.00 33.01 H new ATOM 0 HD2 PHE A 911 -7.598 -34.552 10.017 1.00 11.12 H new ATOM 0 HE1 PHE A 911 -8.030 -34.582 5.125 1.00 34.42 H new ATOM 0 HE2 PHE A 911 -9.325 -35.972 8.901 1.00 33.33 H new ATOM 0 HZ PHE A 911 -9.520 -35.973 6.469 1.00 52.54 H new ATOM 1965 N HIS A 912 -5.085 -30.581 6.864 1.00 61.52 N ATOM 1966 CA HIS A 912 -5.037 -30.102 5.493 1.00 73.31 C ATOM 1967 C HIS A 912 -3.975 -30.880 4.714 1.00 63.10 C ATOM 1968 O HIS A 912 -3.607 -30.496 3.605 1.00 40.40 O ATOM 1969 CB HIS A 912 -4.812 -28.589 5.454 1.00 73.52 C ATOM 1970 CG HIS A 912 -6.087 -27.779 5.450 1.00 5.04 C ATOM 1971 ND1 HIS A 912 -6.278 -26.687 4.623 1.00 50.45 N ATOM 1972 CD2 HIS A 912 -7.230 -27.914 6.181 1.00 14.31 C ATOM 1973 CE1 HIS A 912 -7.486 -26.193 4.854 1.00 63.33 C ATOM 1974 NE2 HIS A 912 -8.074 -26.955 5.820 1.00 12.23 N ATOM 0 H HIS A 912 -4.180 -30.622 7.333 1.00 61.52 H new ATOM 0 HA HIS A 912 -5.997 -30.281 5.008 1.00 73.31 H new ATOM 0 HB2 HIS A 912 -4.212 -28.299 6.316 1.00 73.52 H new ATOM 0 HB3 HIS A 912 -4.233 -28.341 4.565 1.00 73.52 H new ATOM 0 HD1 HIS A 912 -5.604 -26.324 3.950 1.00 50.45 H new ATOM 0 HD2 HIS A 912 -7.417 -28.672 6.927 1.00 14.31 H new ATOM 0 HE1 HIS A 912 -7.927 -25.338 4.364 1.00 63.33 H new ATOM 1982 N PHE A 913 -3.511 -31.960 5.325 1.00 32.25 N ATOM 1983 CA PHE A 913 -2.498 -32.796 4.703 1.00 11.34 C ATOM 1984 C PHE A 913 -2.588 -34.236 5.210 1.00 35.53 C ATOM 1985 O PHE A 913 -3.455 -34.560 6.021 1.00 12.20 O ATOM 1986 CB PHE A 913 -1.138 -32.215 5.094 1.00 43.42 C ATOM 1987 CG PHE A 913 -0.593 -31.184 4.102 1.00 34.23 C ATOM 1988 CD1 PHE A 913 -1.109 -29.926 4.078 1.00 43.22 C ATOM 1989 CD2 PHE A 913 0.406 -31.527 3.245 1.00 13.35 C ATOM 1990 CE1 PHE A 913 -0.604 -28.969 3.158 1.00 64.53 C ATOM 1991 CE2 PHE A 913 0.911 -30.570 2.325 1.00 32.44 C ATOM 1992 CZ PHE A 913 0.396 -29.312 2.301 1.00 54.01 C ATOM 0 H PHE A 913 -3.818 -32.276 6.245 1.00 32.25 H new ATOM 0 HA PHE A 913 -2.640 -32.810 3.622 1.00 11.34 H new ATOM 0 HB2 PHE A 913 -1.222 -31.750 6.076 1.00 43.42 H new ATOM 0 HB3 PHE A 913 -0.420 -33.029 5.187 1.00 43.42 H new ATOM 0 HD1 PHE A 913 -1.903 -29.655 4.758 1.00 43.22 H new ATOM 0 HD2 PHE A 913 0.815 -32.526 3.264 1.00 13.35 H new ATOM 0 HE1 PHE A 913 -1.013 -27.970 3.139 1.00 64.53 H new ATOM 0 HE2 PHE A 913 1.704 -30.842 1.644 1.00 32.44 H new ATOM 0 HZ PHE A 913 0.781 -28.585 1.602 1.00 54.01 H new ATOM 2002 N GLU A 914 -1.681 -35.063 4.712 1.00 74.43 N ATOM 2003 CA GLU A 914 -1.648 -36.462 5.104 1.00 62.11 C ATOM 2004 C GLU A 914 -0.287 -36.811 5.711 1.00 53.32 C ATOM 2005 O GLU A 914 0.594 -35.957 5.800 1.00 15.24 O ATOM 2006 CB GLU A 914 -1.968 -37.372 3.917 1.00 60.44 C ATOM 2007 CG GLU A 914 -0.783 -37.453 2.952 1.00 1.12 C ATOM 2008 CD GLU A 914 -1.086 -38.399 1.788 1.00 15.53 C ATOM 2009 OE1 GLU A 914 -1.590 -37.956 0.745 1.00 3.10 O ATOM 2010 OE2 GLU A 914 -0.780 -39.634 1.996 1.00 65.25 O ATOM 0 H GLU A 914 -0.963 -34.791 4.040 1.00 74.43 H new ATOM 0 HA GLU A 914 -2.415 -36.625 5.861 1.00 62.11 H new ATOM 0 HB2 GLU A 914 -2.217 -38.370 4.277 1.00 60.44 H new ATOM 0 HB3 GLU A 914 -2.845 -36.994 3.391 1.00 60.44 H new ATOM 0 HG2 GLU A 914 -0.554 -36.459 2.567 1.00 1.12 H new ATOM 0 HG3 GLU A 914 0.102 -37.799 3.486 1.00 1.12 H new ATOM 2018 N LYS A 915 -0.158 -38.067 6.112 1.00 53.11 N ATOM 2019 CA LYS A 915 1.080 -38.539 6.708 1.00 41.13 C ATOM 2020 C LYS A 915 2.190 -38.513 5.655 1.00 72.02 C ATOM 2021 O LYS A 915 2.056 -39.118 4.592 1.00 3.20 O ATOM 2022 CB LYS A 915 0.876 -39.911 7.352 1.00 34.41 C ATOM 2023 CG LYS A 915 0.339 -40.920 6.335 1.00 63.44 C ATOM 2024 CD LYS A 915 0.911 -42.316 6.593 1.00 41.13 C ATOM 2025 CE LYS A 915 2.163 -42.560 5.748 1.00 70.32 C ATOM 2026 NZ LYS A 915 2.920 -43.722 6.267 1.00 53.34 N ATOM 0 H LYS A 915 -0.891 -38.772 6.036 1.00 53.11 H new ATOM 0 HA LYS A 915 1.390 -37.877 7.516 1.00 41.13 H new ATOM 0 HB2 LYS A 915 1.821 -40.269 7.761 1.00 34.41 H new ATOM 0 HB3 LYS A 915 0.180 -39.825 8.187 1.00 34.41 H new ATOM 0 HG2 LYS A 915 -0.749 -40.953 6.390 1.00 63.44 H new ATOM 0 HG3 LYS A 915 0.598 -40.598 5.326 1.00 63.44 H new ATOM 0 HD2 LYS A 915 1.155 -42.423 7.650 1.00 41.13 H new ATOM 0 HD3 LYS A 915 0.159 -43.070 6.361 1.00 41.13 H new ATOM 0 HE2 LYS A 915 1.880 -42.737 4.710 1.00 70.32 H new ATOM 0 HE3 LYS A 915 2.795 -41.672 5.759 1.00 70.32 H new ATOM 0 HZ1 LYS A 915 3.767 -43.874 5.682 1.00 53.34 H new ATOM 0 HZ2 LYS A 915 3.206 -43.539 7.250 1.00 53.34 H new ATOM 0 HZ3 LYS A 915 2.319 -44.570 6.234 1.00 53.34 H new ATOM 2039 N ILE A 916 3.260 -37.806 5.987 1.00 63.52 N ATOM 2040 CA ILE A 916 4.393 -37.694 5.083 1.00 14.10 C ATOM 2041 C ILE A 916 5.688 -37.916 5.866 1.00 43.03 C ATOM 2042 O ILE A 916 5.808 -37.483 7.011 1.00 70.41 O ATOM 2043 CB ILE A 916 4.348 -36.362 4.332 1.00 3.41 C ATOM 2044 CG1 ILE A 916 3.092 -36.263 3.464 1.00 2.21 C ATOM 2045 CG2 ILE A 916 5.626 -36.148 3.518 1.00 70.52 C ATOM 2046 CD1 ILE A 916 2.532 -34.839 3.470 1.00 32.15 C ATOM 0 H ILE A 916 3.367 -37.305 6.869 1.00 63.52 H new ATOM 0 HA ILE A 916 4.348 -38.467 4.316 1.00 14.10 H new ATOM 0 HB ILE A 916 4.295 -35.558 5.066 1.00 3.41 H new ATOM 0 HG12 ILE A 916 3.327 -36.561 2.442 1.00 2.21 H new ATOM 0 HG13 ILE A 916 2.336 -36.957 3.832 1.00 2.21 H new ATOM 0 HG21 ILE A 916 5.568 -35.194 2.994 1.00 70.52 H new ATOM 0 HG22 ILE A 916 6.487 -36.143 4.187 1.00 70.52 H new ATOM 0 HG23 ILE A 916 5.735 -36.954 2.793 1.00 70.52 H new ATOM 0 HD11 ILE A 916 1.640 -34.796 2.845 1.00 32.15 H new ATOM 0 HD12 ILE A 916 2.275 -34.553 4.490 1.00 32.15 H new ATOM 0 HD13 ILE A 916 3.282 -34.151 3.079 1.00 32.15 H new ATOM 2058 N PRO A 917 6.651 -38.608 5.199 1.00 11.03 N ATOM 2059 CA PRO A 917 7.933 -38.893 5.820 1.00 3.20 C ATOM 2060 C PRO A 917 8.813 -37.641 5.861 1.00 33.31 C ATOM 2061 O PRO A 917 8.927 -36.926 4.867 1.00 12.43 O ATOM 2062 CB PRO A 917 8.534 -40.013 4.987 1.00 75.41 C ATOM 2063 CG PRO A 917 7.784 -39.997 3.665 1.00 71.24 C ATOM 2064 CD PRO A 917 6.544 -39.136 3.842 1.00 3.41 C ATOM 0 HA PRO A 917 7.837 -39.197 6.862 1.00 3.20 H new ATOM 0 HB2 PRO A 917 9.601 -39.855 4.832 1.00 75.41 H new ATOM 0 HB3 PRO A 917 8.423 -40.975 5.488 1.00 75.41 H new ATOM 0 HG2 PRO A 917 8.416 -39.597 2.872 1.00 71.24 H new ATOM 0 HG3 PRO A 917 7.507 -41.009 3.371 1.00 71.24 H new ATOM 0 HD2 PRO A 917 6.511 -38.333 3.106 1.00 3.41 H new ATOM 0 HD3 PRO A 917 5.634 -39.722 3.716 1.00 3.41 H new ATOM 2072 N PHE A 918 9.412 -37.416 7.021 1.00 12.21 N ATOM 2073 CA PHE A 918 10.278 -36.263 7.205 1.00 74.43 C ATOM 2074 C PHE A 918 11.614 -36.461 6.485 1.00 35.05 C ATOM 2075 O PHE A 918 12.272 -37.485 6.661 1.00 32.15 O ATOM 2076 CB PHE A 918 10.535 -36.132 8.707 1.00 22.41 C ATOM 2077 CG PHE A 918 10.705 -34.689 9.186 1.00 63.13 C ATOM 2078 CD1 PHE A 918 9.655 -33.827 9.134 1.00 34.33 C ATOM 2079 CD2 PHE A 918 11.907 -34.268 9.663 1.00 64.13 C ATOM 2080 CE1 PHE A 918 9.812 -32.488 9.579 1.00 45.24 C ATOM 2081 CE2 PHE A 918 12.065 -32.929 10.107 1.00 43.21 C ATOM 2082 CZ PHE A 918 11.015 -32.067 10.056 1.00 54.14 C ATOM 0 H PHE A 918 9.315 -38.012 7.843 1.00 12.21 H new ATOM 0 HA PHE A 918 9.804 -35.371 6.795 1.00 74.43 H new ATOM 0 HB2 PHE A 918 9.706 -36.588 9.248 1.00 22.41 H new ATOM 0 HB3 PHE A 918 11.432 -36.697 8.962 1.00 22.41 H new ATOM 0 HD1 PHE A 918 8.701 -34.161 8.754 1.00 34.33 H new ATOM 0 HD2 PHE A 918 12.741 -34.952 9.704 1.00 64.13 H new ATOM 0 HE1 PHE A 918 8.977 -31.804 9.539 1.00 45.24 H new ATOM 0 HE2 PHE A 918 13.020 -32.595 10.485 1.00 43.21 H new ATOM 0 HZ PHE A 918 11.136 -31.048 10.394 1.00 54.14 H new ATOM 2092 N ASP A 919 11.974 -35.464 5.690 1.00 22.44 N ATOM 2093 CA ASP A 919 13.220 -35.516 4.944 1.00 53.12 C ATOM 2094 C ASP A 919 14.293 -34.728 5.697 1.00 44.33 C ATOM 2095 O ASP A 919 14.083 -33.569 6.053 1.00 62.24 O ATOM 2096 CB ASP A 919 13.057 -34.889 3.558 1.00 44.31 C ATOM 2097 CG ASP A 919 12.905 -35.888 2.410 1.00 71.24 C ATOM 2098 OD1 ASP A 919 13.770 -36.750 2.194 1.00 32.21 O ATOM 2099 OD2 ASP A 919 11.829 -35.755 1.710 1.00 2.01 O ATOM 0 H ASP A 919 11.425 -34.616 5.546 1.00 22.44 H new ATOM 0 HA ASP A 919 13.506 -36.562 4.835 1.00 53.12 H new ATOM 0 HB2 ASP A 919 12.183 -34.238 3.571 1.00 44.31 H new ATOM 0 HB3 ASP A 919 13.922 -34.257 3.358 1.00 44.31 H new ATOM 2105 N PRO A 920 15.451 -35.405 5.923 1.00 50.11 N ATOM 2106 CA PRO A 920 16.558 -34.780 6.627 1.00 70.41 C ATOM 2107 C PRO A 920 17.281 -33.775 5.729 1.00 4.41 C ATOM 2108 O PRO A 920 18.109 -32.997 6.203 1.00 72.34 O ATOM 2109 CB PRO A 920 17.447 -35.933 7.064 1.00 71.43 C ATOM 2110 CG PRO A 920 17.053 -37.116 6.194 1.00 62.04 C ATOM 2111 CD PRO A 920 15.735 -36.778 5.516 1.00 45.21 C ATOM 0 HA PRO A 920 16.233 -34.196 7.488 1.00 70.41 H new ATOM 0 HB2 PRO A 920 18.500 -35.685 6.933 1.00 71.43 H new ATOM 0 HB3 PRO A 920 17.302 -36.159 8.120 1.00 71.43 H new ATOM 0 HG2 PRO A 920 17.824 -37.317 5.450 1.00 62.04 H new ATOM 0 HG3 PRO A 920 16.951 -38.017 6.799 1.00 62.04 H new ATOM 0 HD2 PRO A 920 15.814 -36.861 4.432 1.00 45.21 H new ATOM 0 HD3 PRO A 920 14.942 -37.457 5.831 1.00 45.21 H new ATOM 2119 N ALA A 921 16.943 -33.822 4.449 1.00 31.01 N ATOM 2120 CA ALA A 921 17.550 -32.925 3.481 1.00 54.53 C ATOM 2121 C ALA A 921 16.936 -31.531 3.629 1.00 2.34 C ATOM 2122 O ALA A 921 17.517 -30.542 3.184 1.00 72.35 O ATOM 2123 CB ALA A 921 17.368 -33.494 2.072 1.00 32.35 C ATOM 0 H ALA A 921 16.256 -34.468 4.060 1.00 31.01 H new ATOM 0 HA ALA A 921 18.621 -32.835 3.661 1.00 54.53 H new ATOM 0 HB1 ALA A 921 17.824 -32.821 1.346 1.00 32.35 H new ATOM 0 HB2 ALA A 921 17.846 -34.472 2.010 1.00 32.35 H new ATOM 0 HB3 ALA A 921 16.305 -33.596 1.855 1.00 32.35 H new ATOM 2129 N GLU A 922 15.770 -31.496 4.258 1.00 64.21 N ATOM 2130 CA GLU A 922 15.072 -30.240 4.471 1.00 51.00 C ATOM 2131 C GLU A 922 15.619 -29.533 5.712 1.00 11.55 C ATOM 2132 O GLU A 922 15.920 -28.341 5.670 1.00 15.51 O ATOM 2133 CB GLU A 922 13.563 -30.465 4.588 1.00 1.51 C ATOM 2134 CG GLU A 922 13.062 -31.406 3.491 1.00 21.10 C ATOM 2135 CD GLU A 922 11.873 -30.796 2.746 1.00 30.20 C ATOM 2136 OE1 GLU A 922 11.670 -31.088 1.558 1.00 42.31 O ATOM 2137 OE2 GLU A 922 11.145 -29.993 3.446 1.00 72.44 O ATOM 0 H GLU A 922 15.291 -32.318 4.627 1.00 64.21 H new ATOM 0 HA GLU A 922 15.245 -29.599 3.606 1.00 51.00 H new ATOM 0 HB2 GLU A 922 13.329 -30.884 5.567 1.00 1.51 H new ATOM 0 HB3 GLU A 922 13.043 -29.510 4.518 1.00 1.51 H new ATOM 0 HG2 GLU A 922 13.869 -31.613 2.788 1.00 21.10 H new ATOM 0 HG3 GLU A 922 12.770 -32.360 3.930 1.00 21.10 H new ATOM 2145 N MET A 923 15.731 -30.297 6.789 1.00 64.03 N ATOM 2146 CA MET A 923 16.237 -29.758 8.040 1.00 71.21 C ATOM 2147 C MET A 923 17.701 -29.336 7.903 1.00 23.23 C ATOM 2148 O MET A 923 18.114 -28.324 8.467 1.00 25.23 O ATOM 2149 CB MET A 923 16.110 -30.815 9.139 1.00 4.00 C ATOM 2150 CG MET A 923 17.244 -31.838 9.049 1.00 64.21 C ATOM 2151 SD MET A 923 17.143 -32.984 10.414 1.00 53.02 S ATOM 2152 CE MET A 923 15.370 -33.110 10.582 1.00 40.44 C ATOM 0 H MET A 923 15.480 -31.285 6.821 1.00 64.03 H new ATOM 0 HA MET A 923 15.648 -28.878 8.300 1.00 71.21 H new ATOM 0 HB2 MET A 923 16.127 -30.333 10.116 1.00 4.00 H new ATOM 0 HB3 MET A 923 15.149 -31.323 9.051 1.00 4.00 H new ATOM 0 HG2 MET A 923 17.183 -32.379 8.104 1.00 64.21 H new ATOM 0 HG3 MET A 923 18.207 -31.328 9.063 1.00 64.21 H new ATOM 0 HE1 MET A 923 15.130 -33.736 11.441 1.00 40.44 H new ATOM 0 HE2 MET A 923 14.947 -32.116 10.727 1.00 40.44 H new ATOM 0 HE3 MET A 923 14.950 -33.555 9.680 1.00 40.44 H new ATOM 2162 N SER A 924 18.446 -30.133 7.151 1.00 31.22 N ATOM 2163 CA SER A 924 19.855 -29.855 6.933 1.00 23.04 C ATOM 2164 C SER A 924 20.039 -29.068 5.634 1.00 73.51 C ATOM 2165 O SER A 924 19.114 -28.967 4.830 1.00 75.14 O ATOM 2166 CB SER A 924 20.672 -31.148 6.891 1.00 73.22 C ATOM 2167 OG SER A 924 20.921 -31.665 8.195 1.00 30.31 O ATOM 0 H SER A 924 18.100 -30.972 6.685 1.00 31.22 H new ATOM 0 HA SER A 924 20.218 -29.255 7.768 1.00 23.04 H new ATOM 0 HB2 SER A 924 20.140 -31.894 6.301 1.00 73.22 H new ATOM 0 HB3 SER A 924 21.621 -30.961 6.388 1.00 73.22 H new ATOM 0 HG SER A 924 21.443 -32.491 8.125 1.00 30.31 H new ATOM 2173 N LYS A 925 21.239 -28.532 5.469 1.00 53.12 N ATOM 2174 CA LYS A 925 21.555 -27.758 4.281 1.00 44.43 C ATOM 2175 C LYS A 925 21.410 -28.647 3.044 1.00 13.40 C ATOM 2176 O LYS A 925 22.145 -29.619 2.884 1.00 22.54 O ATOM 2177 CB LYS A 925 22.936 -27.111 4.414 1.00 33.35 C ATOM 2178 CG LYS A 925 23.124 -26.001 3.379 1.00 50.12 C ATOM 2179 CD LYS A 925 24.609 -25.744 3.114 1.00 72.20 C ATOM 2180 CE LYS A 925 25.296 -25.170 4.355 1.00 72.32 C ATOM 2181 NZ LYS A 925 25.141 -23.699 4.399 1.00 45.02 N ATOM 0 H LYS A 925 22.004 -28.618 6.138 1.00 53.12 H new ATOM 0 HA LYS A 925 20.851 -26.934 4.166 1.00 44.43 H new ATOM 0 HB2 LYS A 925 23.054 -26.701 5.417 1.00 33.35 H new ATOM 0 HB3 LYS A 925 23.710 -27.868 4.285 1.00 33.35 H new ATOM 0 HG2 LYS A 925 22.628 -26.278 2.449 1.00 50.12 H new ATOM 0 HG3 LYS A 925 22.650 -25.085 3.733 1.00 50.12 H new ATOM 0 HD2 LYS A 925 25.096 -26.674 2.822 1.00 72.20 H new ATOM 0 HD3 LYS A 925 24.719 -25.051 2.280 1.00 72.20 H new ATOM 0 HE2 LYS A 925 24.867 -25.614 5.253 1.00 72.32 H new ATOM 0 HE3 LYS A 925 26.354 -25.430 4.345 1.00 72.32 H new ATOM 0 HZ1 LYS A 925 25.613 -23.325 5.247 1.00 45.02 H new ATOM 0 HZ2 LYS A 925 25.571 -23.279 3.550 1.00 45.02 H new ATOM 0 HZ3 LYS A 925 24.130 -23.457 4.431 1.00 45.02 H new TER 2194 LYS A 925