USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=44 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 814 LYS NZ :NH3+ -146:sc= -6.75! (180deg=-6.8!) USER MOD Set 1.2: A 902 GLN :FLIP amide:sc= 0.701 F(o=-12,f=-6) USER MOD Set 2.1: A 858 LYS NZ :NH3+ 173:sc= 0.421 (180deg=0.308) USER MOD Set 2.2: A 861 LYS NZ :NH3+ -162:sc= -4.29! (180deg=-4.64!) USER MOD Set 3.1: A 829 CYS SG : rot 89:sc= -0.449 USER MOD Set 3.2: A 879 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 807 LYS NZ :NH3+ -116:sc= 0.185 (180deg=0) USER MOD Set 4.2: A 819 TYR OH : rot 180:sc= -0.0217 USER MOD Set 5.1: A 806 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 905 TYR OH : rot 180:sc= 0 USER MOD Single : A 793 SER OG : rot 180:sc= -0.388 USER MOD Single : A 794 GLN : amide:sc= -2.56! C(o=-2.6!,f=-2.4!) USER MOD Single : A 796 LYS NZ :NH3+ -161:sc= -0.0027 (180deg=-0.474) USER MOD Single : A 798 LYS NZ :NH3+ -136:sc= -1.73 (180deg=-3.46!) USER MOD Single : A 803 LYS NZ :NH3+ -110:sc= -2.34 (180deg=-3.84!) USER MOD Single : A 805 ASN :FLIP amide:sc= -2.2! C(o=-3.5!,f=-2.2!) USER MOD Single : A 810 CYS SG : rot 180:sc= 0 USER MOD Single : A 812 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 CYS SG : rot 180:sc= 0 USER MOD Single : A 818 CYS SG : rot 40:sc= -6.67! USER MOD Single : A 820 THR OG1 : rot -79:sc= -0.426! USER MOD Single : A 830 HIS :FLIP no HD1:sc= -3.96 F(o=-6.4!,f=-4) USER MOD Single : A 831 TYR OH : rot 15:sc= -0.378 USER MOD Single : A 832 THR OG1 : rot 180:sc= 0 USER MOD Single : A 839 LYS NZ :NH3+ -120:sc= -1.37 (180deg=-3.8!) USER MOD Single : A 841 CYS SG : rot 89:sc= 0.993 USER MOD Single : A 844 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 847 HIS :FLIP no HD1:sc= -3.88! C(o=-4.5!,f=-3.9!) 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 K(o=0,f=-1.3) USER MOD Single : A 854 SER OG : rot 23:sc= 1.27 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 864 CYS SG : rot 180:sc=-1.09e-06 USER MOD Single : A 867 GLN : amide:sc= -0.945 K(o=-0.94,f=-3.4!) USER MOD Single : A 868 ASN : amide:sc= -1 X(o=-1,f=-1.1) USER MOD Single : A 869 CYS SG : rot 34:sc= 0.0146 USER MOD Single : A 870 SER OG : rot 180:sc= 0 USER MOD Single : A 871 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-6.8!) USER MOD Single : A 876 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-4.1!) USER MOD Single : A 878 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 LYS NZ :NH3+ 154:sc= -0.111 (180deg=-0.942) USER MOD Single : A 881 THR OG1 : rot 99:sc= 0.703 USER MOD Single : A 888 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 891 SER OG : rot 60:sc= -0.293 USER MOD Single : A 899 THR OG1 : rot 170:sc= -2.91 USER MOD Single : A 903 THR OG1 : rot -4:sc= 0.472! USER MOD Single : A 906 SER OG : rot 180:sc= 0 USER MOD Single : A 907 LYS NZ :NH3+ -108:sc= -0.548 (180deg=-1.11) USER MOD Single : A 909 LYS NZ :NH3+ -123:sc= -1.54 (180deg=-3.71!) USER MOD Single : A 912 HIS : no HE2:sc= 0.173 K(o=0.17,f=-1.6) USER MOD Single : A 915 LYS NZ :NH3+ 175:sc= 0.893 (180deg=0.868) USER MOD Single : A 923 MET CE :methyl -132:sc= -5.42! (180deg=-16.2!) USER MOD Single : A 924 SER OG : rot -4:sc= 1.01 USER MOD Single : A 925 LYS NZ :NH3+ -155:sc= -0.073 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 -14.186 -13.059 17.283 1.00 4.42 N ATOM 2 CA ASP A 792 -14.989 -13.971 16.487 1.00 1.02 C ATOM 3 C ASP A 792 -15.547 -13.226 15.273 1.00 2.30 C ATOM 4 O ASP A 792 -15.514 -11.997 15.225 1.00 22.13 O ATOM 5 CB ASP A 792 -16.171 -14.511 17.294 1.00 20.53 C ATOM 6 CG ASP A 792 -16.809 -13.508 18.257 1.00 33.21 C ATOM 7 OD1 ASP A 792 -17.812 -12.857 17.928 1.00 0.15 O ATOM 8 OD2 ASP A 792 -16.227 -13.407 19.404 1.00 41.43 O ATOM 0 HA ASP A 792 -14.352 -14.801 16.180 1.00 1.02 H new ATOM 0 HB2 ASP A 792 -16.935 -14.862 16.600 1.00 20.53 H new ATOM 0 HB3 ASP A 792 -15.836 -15.377 17.865 1.00 20.53 H new ATOM 14 N SER A 793 -16.046 -14.001 14.321 1.00 14.55 N ATOM 15 CA SER A 793 -16.611 -13.429 13.110 1.00 23.25 C ATOM 16 C SER A 793 -17.581 -14.422 12.466 1.00 2.34 C ATOM 17 O SER A 793 -17.559 -15.610 12.782 1.00 33.34 O ATOM 18 CB SER A 793 -15.511 -13.043 12.120 1.00 40.25 C ATOM 19 OG SER A 793 -14.476 -12.285 12.740 1.00 40.54 O ATOM 0 H SER A 793 -16.071 -15.020 14.364 1.00 14.55 H new ATOM 0 HA SER A 793 -17.154 -12.523 13.379 1.00 23.25 H new ATOM 0 HB2 SER A 793 -15.086 -13.945 11.681 1.00 40.25 H new ATOM 0 HB3 SER A 793 -15.944 -12.465 11.304 1.00 40.25 H new ATOM 0 HG SER A 793 -13.792 -12.060 12.075 1.00 40.54 H new ATOM 25 N GLN A 794 -18.409 -13.897 11.575 1.00 63.11 N ATOM 26 CA GLN A 794 -19.385 -14.722 10.884 1.00 62.14 C ATOM 27 C GLN A 794 -19.027 -14.838 9.401 1.00 65.33 C ATOM 28 O GLN A 794 -19.757 -15.457 8.628 1.00 15.45 O ATOM 29 CB GLN A 794 -20.799 -14.166 11.064 1.00 23.21 C ATOM 30 CG GLN A 794 -21.838 -15.289 11.031 1.00 4.12 C ATOM 31 CD GLN A 794 -22.207 -15.652 9.592 1.00 54.35 C ATOM 32 OE1 GLN A 794 -22.120 -16.793 9.170 1.00 63.14 O ATOM 33 NE2 GLN A 794 -22.625 -14.620 8.864 1.00 44.34 N ATOM 0 H GLN A 794 -18.424 -12.911 11.316 1.00 63.11 H new ATOM 0 HA GLN A 794 -19.364 -15.720 11.323 1.00 62.14 H new ATOM 0 HB2 GLN A 794 -20.866 -13.632 12.012 1.00 23.21 H new ATOM 0 HB3 GLN A 794 -21.013 -13.444 10.276 1.00 23.21 H new ATOM 0 HG2 GLN A 794 -21.445 -16.168 11.542 1.00 4.12 H new ATOM 0 HG3 GLN A 794 -22.732 -14.978 11.572 1.00 4.12 H new ATOM 0 HE21 GLN A 794 -22.674 -13.690 9.279 1.00 44.34 H new ATOM 0 HE22 GLN A 794 -22.896 -14.759 7.891 1.00 44.34 H new ATOM 42 N GLU A 795 -17.902 -14.234 9.047 1.00 3.14 N ATOM 43 CA GLU A 795 -17.438 -14.262 7.671 1.00 44.23 C ATOM 44 C GLU A 795 -17.148 -15.700 7.237 1.00 25.34 C ATOM 45 O GLU A 795 -16.200 -16.319 7.720 1.00 14.24 O ATOM 46 CB GLU A 795 -16.204 -13.375 7.490 1.00 62.41 C ATOM 47 CG GLU A 795 -16.145 -12.800 6.073 1.00 23.14 C ATOM 48 CD GLU A 795 -16.951 -11.503 5.974 1.00 23.43 C ATOM 49 OE1 GLU A 795 -17.359 -11.110 4.871 1.00 3.14 O ATOM 50 OE2 GLU A 795 -17.150 -10.898 7.096 1.00 72.31 O ATOM 0 H GLU A 795 -17.298 -13.722 9.690 1.00 3.14 H new ATOM 0 HA GLU A 795 -18.228 -13.864 7.034 1.00 44.23 H new ATOM 0 HB2 GLU A 795 -16.227 -12.562 8.216 1.00 62.41 H new ATOM 0 HB3 GLU A 795 -15.303 -13.955 7.689 1.00 62.41 H new ATOM 0 HG2 GLU A 795 -15.108 -12.610 5.797 1.00 23.14 H new ATOM 0 HG3 GLU A 795 -16.535 -13.530 5.364 1.00 23.14 H new ATOM 58 N LYS A 796 -17.980 -16.191 6.331 1.00 13.22 N ATOM 59 CA LYS A 796 -17.825 -17.545 5.827 1.00 11.14 C ATOM 60 C LYS A 796 -16.772 -17.554 4.718 1.00 40.14 C ATOM 61 O LYS A 796 -16.543 -16.536 4.066 1.00 71.22 O ATOM 62 CB LYS A 796 -19.178 -18.114 5.396 1.00 70.40 C ATOM 63 CG LYS A 796 -19.899 -18.768 6.576 1.00 14.05 C ATOM 64 CD LYS A 796 -19.363 -20.177 6.835 1.00 63.21 C ATOM 65 CE LYS A 796 -20.305 -20.964 7.748 1.00 1.22 C ATOM 66 NZ LYS A 796 -20.865 -20.083 8.797 1.00 13.31 N ATOM 0 H LYS A 796 -18.764 -15.675 5.932 1.00 13.22 H new ATOM 0 HA LYS A 796 -17.464 -18.206 6.615 1.00 11.14 H new ATOM 0 HB2 LYS A 796 -19.797 -17.317 4.984 1.00 70.40 H new ATOM 0 HB3 LYS A 796 -19.032 -18.847 4.603 1.00 70.40 H new ATOM 0 HG2 LYS A 796 -19.770 -18.157 7.469 1.00 14.05 H new ATOM 0 HG3 LYS A 796 -20.969 -18.814 6.373 1.00 14.05 H new ATOM 0 HD2 LYS A 796 -19.244 -20.704 5.888 1.00 63.21 H new ATOM 0 HD3 LYS A 796 -18.375 -20.116 7.292 1.00 63.21 H new ATOM 0 HE2 LYS A 796 -21.113 -21.398 7.159 1.00 1.22 H new ATOM 0 HE3 LYS A 796 -19.767 -21.792 8.209 1.00 1.22 H new ATOM 0 HZ1 LYS A 796 -21.229 -20.663 9.580 1.00 13.31 H new ATOM 0 HZ2 LYS A 796 -20.120 -19.450 9.153 1.00 13.31 H new ATOM 0 HZ3 LYS A 796 -21.639 -19.516 8.397 1.00 13.31 H new ATOM 79 N PRO A 797 -16.143 -18.745 4.532 1.00 63.20 N ATOM 80 CA PRO A 797 -15.119 -18.900 3.512 1.00 33.13 C ATOM 81 C PRO A 797 -15.742 -18.972 2.117 1.00 72.33 C ATOM 82 O PRO A 797 -16.962 -18.902 1.973 1.00 43.31 O ATOM 83 CB PRO A 797 -14.371 -20.167 3.895 1.00 11.42 C ATOM 84 CG PRO A 797 -15.289 -20.924 4.841 1.00 54.52 C ATOM 85 CD PRO A 797 -16.388 -19.972 5.285 1.00 0.41 C ATOM 0 HA PRO A 797 -14.438 -18.050 3.466 1.00 33.13 H new ATOM 0 HB2 PRO A 797 -14.139 -20.765 3.014 1.00 11.42 H new ATOM 0 HB3 PRO A 797 -13.423 -19.930 4.377 1.00 11.42 H new ATOM 0 HG2 PRO A 797 -15.716 -21.795 4.343 1.00 54.52 H new ATOM 0 HG3 PRO A 797 -14.731 -21.291 5.702 1.00 54.52 H new ATOM 0 HD2 PRO A 797 -17.376 -20.379 5.068 1.00 0.41 H new ATOM 0 HD3 PRO A 797 -16.346 -19.792 6.359 1.00 0.41 H new ATOM 93 N LYS A 798 -14.876 -19.112 1.124 1.00 73.33 N ATOM 94 CA LYS A 798 -15.326 -19.195 -0.255 1.00 72.05 C ATOM 95 C LYS A 798 -15.066 -20.605 -0.789 1.00 24.34 C ATOM 96 O LYS A 798 -14.192 -21.311 -0.287 1.00 33.14 O ATOM 97 CB LYS A 798 -14.682 -18.091 -1.096 1.00 51.13 C ATOM 98 CG LYS A 798 -13.196 -18.372 -1.325 1.00 24.31 C ATOM 99 CD LYS A 798 -12.406 -17.069 -1.463 1.00 62.21 C ATOM 100 CE LYS A 798 -13.096 -16.111 -2.436 1.00 4.43 C ATOM 101 NZ LYS A 798 -13.642 -16.852 -3.594 1.00 72.11 N ATOM 0 H LYS A 798 -13.865 -19.170 1.247 1.00 73.33 H new ATOM 0 HA LYS A 798 -16.401 -19.024 -0.315 1.00 72.05 H new ATOM 0 HB2 LYS A 798 -15.193 -18.015 -2.056 1.00 51.13 H new ATOM 0 HB3 LYS A 798 -14.801 -17.131 -0.594 1.00 51.13 H new ATOM 0 HG2 LYS A 798 -12.800 -18.955 -0.493 1.00 24.31 H new ATOM 0 HG3 LYS A 798 -13.071 -18.974 -2.225 1.00 24.31 H new ATOM 0 HD2 LYS A 798 -12.308 -16.594 -0.487 1.00 62.21 H new ATOM 0 HD3 LYS A 798 -11.397 -17.286 -1.815 1.00 62.21 H new ATOM 0 HE2 LYS A 798 -13.899 -15.580 -1.925 1.00 4.43 H new ATOM 0 HE3 LYS A 798 -12.386 -15.359 -2.780 1.00 4.43 H new ATOM 0 HZ1 LYS A 798 -13.424 -16.336 -4.470 1.00 72.11 H new ATOM 0 HZ2 LYS A 798 -13.213 -17.799 -3.634 1.00 72.11 H new ATOM 0 HZ3 LYS A 798 -14.673 -16.943 -3.493 1.00 72.11 H new ATOM 114 N PRO A 799 -15.860 -20.983 -1.826 1.00 23.41 N ATOM 115 CA PRO A 799 -15.724 -22.297 -2.433 1.00 4.43 C ATOM 116 C PRO A 799 -14.477 -22.366 -3.317 1.00 2.52 C ATOM 117 O PRO A 799 -14.134 -21.394 -3.989 1.00 61.55 O ATOM 118 CB PRO A 799 -17.014 -22.507 -3.208 1.00 21.52 C ATOM 119 CG PRO A 799 -17.622 -21.126 -3.389 1.00 21.10 C ATOM 120 CD PRO A 799 -16.904 -20.174 -2.446 1.00 54.23 C ATOM 0 HA PRO A 799 -15.584 -23.088 -1.697 1.00 4.43 H new ATOM 0 HB2 PRO A 799 -16.818 -22.977 -4.172 1.00 21.52 H new ATOM 0 HB3 PRO A 799 -17.693 -23.164 -2.665 1.00 21.52 H new ATOM 0 HG2 PRO A 799 -17.515 -20.794 -4.422 1.00 21.10 H new ATOM 0 HG3 PRO A 799 -18.690 -21.147 -3.170 1.00 21.10 H new ATOM 0 HD2 PRO A 799 -16.480 -19.327 -2.986 1.00 54.23 H new ATOM 0 HD3 PRO A 799 -17.586 -19.767 -1.699 1.00 54.23 H new ATOM 128 N VAL A 800 -13.833 -23.523 -3.287 1.00 43.02 N ATOM 129 CA VAL A 800 -12.631 -23.731 -4.078 1.00 34.43 C ATOM 130 C VAL A 800 -12.722 -25.084 -4.788 1.00 2.50 C ATOM 131 O VAL A 800 -13.315 -26.025 -4.264 1.00 63.44 O ATOM 132 CB VAL A 800 -11.392 -23.604 -3.190 1.00 20.34 C ATOM 133 CG1 VAL A 800 -10.928 -24.976 -2.697 1.00 24.31 C ATOM 134 CG2 VAL A 800 -10.265 -22.874 -3.923 1.00 22.42 C ATOM 0 H VAL A 800 -14.120 -24.326 -2.728 1.00 43.02 H new ATOM 0 HA VAL A 800 -12.542 -22.965 -4.848 1.00 34.43 H new ATOM 0 HB VAL A 800 -11.664 -23.010 -2.318 1.00 20.34 H new ATOM 0 HG11 VAL A 800 -10.046 -24.857 -2.068 1.00 24.31 H new ATOM 0 HG12 VAL A 800 -11.725 -25.444 -2.119 1.00 24.31 H new ATOM 0 HG13 VAL A 800 -10.682 -25.606 -3.552 1.00 24.31 H new ATOM 0 HG21 VAL A 800 -9.396 -22.797 -3.270 1.00 22.42 H new ATOM 0 HG22 VAL A 800 -9.996 -23.429 -4.821 1.00 22.42 H new ATOM 0 HG23 VAL A 800 -10.599 -21.875 -4.201 1.00 22.42 H new ATOM 144 N PRO A 801 -12.109 -25.138 -6.001 1.00 11.31 N ATOM 145 CA PRO A 801 -12.115 -26.359 -6.788 1.00 42.34 C ATOM 146 C PRO A 801 -11.140 -27.388 -6.212 1.00 14.34 C ATOM 147 O PRO A 801 -11.553 -28.327 -5.533 1.00 15.32 O ATOM 148 CB PRO A 801 -11.750 -25.920 -8.197 1.00 52.12 C ATOM 149 CG PRO A 801 -11.102 -24.552 -8.053 1.00 74.34 C ATOM 150 CD PRO A 801 -11.397 -24.042 -6.652 1.00 54.04 C ATOM 0 HA PRO A 801 -13.083 -26.861 -6.779 1.00 42.34 H new ATOM 0 HB2 PRO A 801 -11.065 -26.629 -8.662 1.00 52.12 H new ATOM 0 HB3 PRO A 801 -12.635 -25.868 -8.831 1.00 52.12 H new ATOM 0 HG2 PRO A 801 -10.026 -24.620 -8.216 1.00 74.34 H new ATOM 0 HG3 PRO A 801 -11.495 -23.863 -8.801 1.00 74.34 H new ATOM 0 HD2 PRO A 801 -10.479 -23.794 -6.119 1.00 54.04 H new ATOM 0 HD3 PRO A 801 -12.004 -23.137 -6.680 1.00 54.04 H new ATOM 158 N ASP A 802 -9.865 -27.176 -6.503 1.00 33.12 N ATOM 159 CA ASP A 802 -8.829 -28.073 -6.021 1.00 62.55 C ATOM 160 C ASP A 802 -7.635 -27.251 -5.533 1.00 21.04 C ATOM 161 O ASP A 802 -7.693 -26.023 -5.504 1.00 2.31 O ATOM 162 CB ASP A 802 -8.340 -28.999 -7.137 1.00 71.21 C ATOM 163 CG ASP A 802 -9.104 -30.319 -7.264 1.00 11.23 C ATOM 164 OD1 ASP A 802 -8.582 -31.393 -6.931 1.00 33.30 O ATOM 165 OD2 ASP A 802 -10.301 -30.213 -7.733 1.00 11.22 O ATOM 0 H ASP A 802 -9.526 -26.396 -7.066 1.00 33.12 H new ATOM 0 HA ASP A 802 -9.250 -28.672 -5.213 1.00 62.55 H new ATOM 0 HB2 ASP A 802 -8.406 -28.466 -8.086 1.00 71.21 H new ATOM 0 HB3 ASP A 802 -7.286 -29.221 -6.968 1.00 71.21 H new ATOM 171 N LYS A 803 -6.580 -27.961 -5.160 1.00 74.53 N ATOM 172 CA LYS A 803 -5.375 -27.313 -4.674 1.00 44.41 C ATOM 173 C LYS A 803 -4.238 -28.335 -4.617 1.00 31.34 C ATOM 174 O LYS A 803 -4.454 -29.522 -4.856 1.00 23.40 O ATOM 175 CB LYS A 803 -5.643 -26.615 -3.339 1.00 25.32 C ATOM 176 CG LYS A 803 -5.597 -27.614 -2.180 1.00 41.41 C ATOM 177 CD LYS A 803 -6.385 -27.093 -0.976 1.00 44.44 C ATOM 178 CE LYS A 803 -5.476 -26.315 -0.022 1.00 14.21 C ATOM 179 NZ LYS A 803 -4.386 -27.182 0.478 1.00 33.03 N ATOM 0 H LYS A 803 -6.536 -28.980 -5.185 1.00 74.53 H new ATOM 0 HA LYS A 803 -5.062 -26.527 -5.361 1.00 44.41 H new ATOM 0 HB2 LYS A 803 -4.902 -25.832 -3.179 1.00 25.32 H new ATOM 0 HB3 LYS A 803 -6.619 -26.130 -3.367 1.00 25.32 H new ATOM 0 HG2 LYS A 803 -6.009 -28.570 -2.503 1.00 41.41 H new ATOM 0 HG3 LYS A 803 -4.562 -27.794 -1.891 1.00 41.41 H new ATOM 0 HD2 LYS A 803 -7.195 -26.449 -1.318 1.00 44.44 H new ATOM 0 HD3 LYS A 803 -6.843 -27.929 -0.447 1.00 44.44 H new ATOM 0 HE2 LYS A 803 -5.055 -25.451 -0.536 1.00 14.21 H new ATOM 0 HE3 LYS A 803 -6.059 -25.934 0.816 1.00 14.21 H new ATOM 0 HZ1 LYS A 803 -4.538 -27.384 1.487 1.00 33.03 H new ATOM 0 HZ2 LYS A 803 -4.379 -28.074 -0.057 1.00 33.03 H new ATOM 0 HZ3 LYS A 803 -3.474 -26.698 0.356 1.00 33.03 H new ATOM 192 N GLU A 804 -3.052 -27.837 -4.298 1.00 34.41 N ATOM 193 CA GLU A 804 -1.882 -28.693 -4.206 1.00 25.00 C ATOM 194 C GLU A 804 -1.066 -28.344 -2.959 1.00 61.53 C ATOM 195 O GLU A 804 -0.802 -29.208 -2.124 1.00 71.22 O ATOM 196 CB GLU A 804 -1.025 -28.587 -5.469 1.00 24.20 C ATOM 197 CG GLU A 804 -0.668 -27.130 -5.769 1.00 51.13 C ATOM 198 CD GLU A 804 -0.284 -26.951 -7.239 1.00 70.25 C ATOM 199 OE1 GLU A 804 -1.164 -26.758 -8.091 1.00 74.32 O ATOM 200 OE2 GLU A 804 0.981 -27.018 -7.485 1.00 13.44 O ATOM 0 H GLU A 804 -2.877 -26.852 -4.100 1.00 34.41 H new ATOM 0 HA GLU A 804 -2.218 -29.726 -4.120 1.00 25.00 H new ATOM 0 HB2 GLU A 804 -0.113 -29.170 -5.344 1.00 24.20 H new ATOM 0 HB3 GLU A 804 -1.563 -29.015 -6.315 1.00 24.20 H new ATOM 0 HG2 GLU A 804 -1.516 -26.488 -5.530 1.00 51.13 H new ATOM 0 HG3 GLU A 804 0.159 -26.816 -5.133 1.00 51.13 H new ATOM 208 N ASN A 805 -0.689 -27.077 -2.873 1.00 33.22 N ATOM 209 CA ASN A 805 0.091 -26.604 -1.742 1.00 51.21 C ATOM 210 C ASN A 805 -0.616 -25.405 -1.107 1.00 4.52 C ATOM 211 O ASN A 805 -1.274 -24.629 -1.799 1.00 20.43 O ATOM 212 CB ASN A 805 1.484 -26.152 -2.185 1.00 11.23 C ATOM 213 CG ASN A 805 2.081 -25.158 -1.187 1.00 13.44 C ATOM 214 OD1 ASN A 805 2.142 -25.614 0.061 1.00 23.03 O flip ATOM 215 ND2 ASN A 805 2.460 -24.049 -1.527 1.00 62.41 N flip ATOM 0 H ASN A 805 -0.909 -26.363 -3.568 1.00 33.22 H new ATOM 0 HA ASN A 805 0.187 -27.425 -1.031 1.00 51.21 H new ATOM 0 HB2 ASN A 805 2.139 -27.018 -2.277 1.00 11.23 H new ATOM 0 HB3 ASN A 805 1.424 -25.691 -3.171 1.00 11.23 H new ATOM 0 HD21 ASN A 805 2.385 -23.761 -2.503 1.00 62.41 H new ATOM 0 HD22 ASN A 805 2.852 -23.410 -0.836 1.00 62.41 H new ATOM 222 N LYS A 806 -0.455 -25.289 0.203 1.00 22.43 N ATOM 223 CA LYS A 806 -1.069 -24.198 0.940 1.00 50.34 C ATOM 224 C LYS A 806 -0.042 -23.594 1.899 1.00 45.41 C ATOM 225 O LYS A 806 0.881 -24.278 2.337 1.00 24.44 O ATOM 226 CB LYS A 806 -2.350 -24.671 1.629 1.00 15.50 C ATOM 227 CG LYS A 806 -2.594 -23.895 2.925 1.00 22.14 C ATOM 228 CD LYS A 806 -4.035 -24.072 3.408 1.00 40.23 C ATOM 229 CE LYS A 806 -4.467 -25.537 3.318 1.00 55.40 C ATOM 230 NZ LYS A 806 -5.652 -25.780 4.171 1.00 73.32 N ATOM 0 H LYS A 806 0.092 -25.933 0.773 1.00 22.43 H new ATOM 0 HA LYS A 806 -1.375 -23.404 0.259 1.00 50.34 H new ATOM 0 HB2 LYS A 806 -3.198 -24.540 0.957 1.00 15.50 H new ATOM 0 HB3 LYS A 806 -2.278 -25.737 1.847 1.00 15.50 H new ATOM 0 HG2 LYS A 806 -1.904 -24.240 3.695 1.00 22.14 H new ATOM 0 HG3 LYS A 806 -2.388 -22.837 2.764 1.00 22.14 H new ATOM 0 HD2 LYS A 806 -4.122 -23.726 4.438 1.00 40.23 H new ATOM 0 HD3 LYS A 806 -4.702 -23.455 2.807 1.00 40.23 H new ATOM 0 HE2 LYS A 806 -4.698 -25.792 2.284 1.00 55.40 H new ATOM 0 HE3 LYS A 806 -3.647 -26.184 3.631 1.00 55.40 H new ATOM 0 HZ1 LYS A 806 -5.933 -26.779 4.099 1.00 73.32 H new ATOM 0 HZ2 LYS A 806 -5.420 -25.556 5.160 1.00 73.32 H new ATOM 0 HZ3 LYS A 806 -6.437 -25.176 3.855 1.00 73.32 H new ATOM 243 N LYS A 807 -0.236 -22.317 2.197 1.00 72.34 N ATOM 244 CA LYS A 807 0.662 -21.613 3.096 1.00 61.21 C ATOM 245 C LYS A 807 0.066 -21.609 4.505 1.00 10.10 C ATOM 246 O LYS A 807 -1.131 -21.835 4.677 1.00 2.23 O ATOM 247 CB LYS A 807 0.974 -20.216 2.556 1.00 63.21 C ATOM 248 CG LYS A 807 1.769 -19.399 3.576 1.00 24.03 C ATOM 249 CD LYS A 807 2.134 -18.024 3.013 1.00 64.10 C ATOM 250 CE LYS A 807 2.722 -18.147 1.606 1.00 44.32 C ATOM 251 NZ LYS A 807 3.528 -16.950 1.275 1.00 54.14 N ATOM 0 H LYS A 807 -1.002 -21.752 1.831 1.00 72.34 H new ATOM 0 HA LYS A 807 1.621 -22.127 3.157 1.00 61.21 H new ATOM 0 HB2 LYS A 807 1.542 -20.299 1.629 1.00 63.21 H new ATOM 0 HB3 LYS A 807 0.045 -19.699 2.316 1.00 63.21 H new ATOM 0 HG2 LYS A 807 1.183 -19.279 4.487 1.00 24.03 H new ATOM 0 HG3 LYS A 807 2.677 -19.937 3.850 1.00 24.03 H new ATOM 0 HD2 LYS A 807 1.247 -17.391 2.986 1.00 64.10 H new ATOM 0 HD3 LYS A 807 2.854 -17.537 3.671 1.00 64.10 H new ATOM 0 HE2 LYS A 807 3.343 -19.040 1.542 1.00 44.32 H new ATOM 0 HE3 LYS A 807 1.919 -18.264 0.879 1.00 44.32 H new ATOM 0 HZ1 LYS A 807 3.090 -16.446 0.478 1.00 54.14 H new ATOM 0 HZ2 LYS A 807 3.570 -16.320 2.102 1.00 54.14 H new ATOM 0 HZ3 LYS A 807 4.491 -17.242 1.012 1.00 54.14 H new ATOM 264 N LEU A 808 0.928 -21.349 5.477 1.00 61.41 N ATOM 265 CA LEU A 808 0.502 -21.313 6.866 1.00 52.45 C ATOM 266 C LEU A 808 0.894 -19.967 7.479 1.00 33.14 C ATOM 267 O LEU A 808 1.796 -19.294 6.984 1.00 52.34 O ATOM 268 CB LEU A 808 1.053 -22.520 7.627 1.00 15.22 C ATOM 269 CG LEU A 808 0.399 -23.867 7.312 1.00 64.04 C ATOM 270 CD1 LEU A 808 1.042 -24.513 6.083 1.00 22.50 C ATOM 271 CD2 LEU A 808 0.434 -24.792 8.530 1.00 53.20 C ATOM 0 H LEU A 808 1.920 -21.161 5.330 1.00 61.41 H new ATOM 0 HA LEU A 808 -0.583 -21.392 6.935 1.00 52.45 H new ATOM 0 HB2 LEU A 808 2.120 -22.599 7.419 1.00 15.22 H new ATOM 0 HB3 LEU A 808 0.949 -22.329 8.695 1.00 15.22 H new ATOM 0 HG LEU A 808 -0.650 -23.690 7.073 1.00 64.04 H new ATOM 0 HD11 LEU A 808 0.559 -25.469 5.880 1.00 22.50 H new ATOM 0 HD12 LEU A 808 0.922 -23.856 5.222 1.00 22.50 H new ATOM 0 HD13 LEU A 808 2.103 -24.675 6.270 1.00 22.50 H new ATOM 0 HD21 LEU A 808 -0.037 -25.742 8.279 1.00 53.20 H new ATOM 0 HD22 LEU A 808 1.469 -24.967 8.825 1.00 53.20 H new ATOM 0 HD23 LEU A 808 -0.105 -24.327 9.356 1.00 53.20 H new ATOM 283 N LEU A 809 0.196 -19.616 8.550 1.00 43.54 N ATOM 284 CA LEU A 809 0.460 -18.362 9.236 1.00 21.54 C ATOM 285 C LEU A 809 0.511 -18.614 10.745 1.00 40.42 C ATOM 286 O LEU A 809 0.103 -19.674 11.215 1.00 33.23 O ATOM 287 CB LEU A 809 -0.561 -17.300 8.824 1.00 62.21 C ATOM 288 CG LEU A 809 -0.147 -16.384 7.671 1.00 45.31 C ATOM 289 CD1 LEU A 809 -0.357 -17.072 6.321 1.00 53.32 C ATOM 290 CD2 LEU A 809 -0.875 -15.040 7.750 1.00 64.35 C ATOM 0 H LEU A 809 -0.551 -20.177 8.959 1.00 43.54 H new ATOM 0 HA LEU A 809 1.432 -17.965 8.945 1.00 21.54 H new ATOM 0 HB2 LEU A 809 -1.488 -17.803 8.547 1.00 62.21 H new ATOM 0 HB3 LEU A 809 -0.782 -16.680 9.693 1.00 62.21 H new ATOM 0 HG LEU A 809 0.919 -16.178 7.764 1.00 45.31 H new ATOM 0 HD11 LEU A 809 -0.055 -16.399 5.519 1.00 53.32 H new ATOM 0 HD12 LEU A 809 0.244 -17.980 6.278 1.00 53.32 H new ATOM 0 HD13 LEU A 809 -1.410 -17.328 6.203 1.00 53.32 H new ATOM 0 HD21 LEU A 809 -0.563 -14.408 6.919 1.00 64.35 H new ATOM 0 HD22 LEU A 809 -1.951 -15.205 7.696 1.00 64.35 H new ATOM 0 HD23 LEU A 809 -0.630 -14.549 8.692 1.00 64.35 H new ATOM 302 N CYS A 810 1.016 -17.620 11.461 1.00 11.11 N ATOM 303 CA CYS A 810 1.126 -17.720 12.907 1.00 55.35 C ATOM 304 C CYS A 810 0.021 -16.866 13.532 1.00 1.42 C ATOM 305 O CYS A 810 0.106 -15.638 13.534 1.00 61.54 O ATOM 306 CB CYS A 810 2.514 -17.307 13.398 1.00 2.53 C ATOM 307 SG CYS A 810 2.886 -18.131 14.989 1.00 34.22 S ATOM 0 H CYS A 810 1.353 -16.742 11.067 1.00 11.11 H new ATOM 0 HA CYS A 810 0.999 -18.758 13.214 1.00 55.35 H new ATOM 0 HB2 CYS A 810 3.266 -17.575 12.656 1.00 2.53 H new ATOM 0 HB3 CYS A 810 2.558 -16.225 13.520 1.00 2.53 H new ATOM 0 HG CYS A 810 4.068 -17.775 15.396 1.00 34.22 H new ATOM 313 N ARG A 811 -0.990 -17.548 14.049 1.00 60.42 N ATOM 314 CA ARG A 811 -2.110 -16.868 14.676 1.00 1.51 C ATOM 315 C ARG A 811 -1.616 -15.666 15.485 1.00 65.52 C ATOM 316 O ARG A 811 -2.334 -14.681 15.641 1.00 53.51 O ATOM 317 CB ARG A 811 -2.882 -17.812 15.599 1.00 23.44 C ATOM 318 CG ARG A 811 -3.832 -17.033 16.511 1.00 21.20 C ATOM 319 CD ARG A 811 -4.646 -17.982 17.394 1.00 44.22 C ATOM 320 NE ARG A 811 -5.449 -17.205 18.364 1.00 35.51 N ATOM 321 CZ ARG A 811 -6.207 -17.760 19.334 1.00 0.34 C ATOM 322 NH1 ARG A 811 -6.270 -19.101 19.472 1.00 72.20 N ATOM 323 NH2 ARG A 811 -6.885 -16.970 20.147 1.00 61.35 N ATOM 0 H ARG A 811 -1.057 -18.566 14.046 1.00 60.42 H new ATOM 0 HA ARG A 811 -2.777 -16.528 13.883 1.00 1.51 H new ATOM 0 HB2 ARG A 811 -3.449 -18.526 15.002 1.00 23.44 H new ATOM 0 HB3 ARG A 811 -2.182 -18.388 16.204 1.00 23.44 H new ATOM 0 HG2 ARG A 811 -3.260 -16.348 17.137 1.00 21.20 H new ATOM 0 HG3 ARG A 811 -4.505 -16.425 15.907 1.00 21.20 H new ATOM 0 HD2 ARG A 811 -5.301 -18.596 16.776 1.00 44.22 H new ATOM 0 HD3 ARG A 811 -3.979 -18.662 17.924 1.00 44.22 H new ATOM 0 HE ARG A 811 -5.429 -16.187 18.296 1.00 35.51 H new ATOM 0 HH11 ARG A 811 -5.742 -19.704 18.841 1.00 72.20 H new ATOM 0 HH12 ARG A 811 -6.845 -19.512 20.208 1.00 72.20 H new ATOM 0 HH21 ARG A 811 -6.831 -15.957 20.037 1.00 61.35 H new ATOM 0 HH22 ARG A 811 -7.463 -17.373 20.885 1.00 61.35 H new ATOM 336 N LYS A 812 -0.392 -15.789 15.978 1.00 42.44 N ATOM 337 CA LYS A 812 0.207 -14.725 16.766 1.00 21.32 C ATOM 338 C LYS A 812 -0.124 -13.375 16.128 1.00 0.42 C ATOM 339 O LYS A 812 -1.009 -12.662 16.600 1.00 45.45 O ATOM 340 CB LYS A 812 1.707 -14.970 16.945 1.00 72.04 C ATOM 341 CG LYS A 812 1.977 -15.855 18.163 1.00 12.34 C ATOM 342 CD LYS A 812 2.117 -15.012 19.433 1.00 52.34 C ATOM 343 CE LYS A 812 0.752 -14.756 20.074 1.00 34.23 C ATOM 344 NZ LYS A 812 0.892 -14.572 21.536 1.00 4.40 N ATOM 0 H LYS A 812 0.201 -16.609 15.847 1.00 42.44 H new ATOM 0 HA LYS A 812 -0.213 -14.714 17.772 1.00 21.32 H new ATOM 0 HB2 LYS A 812 2.111 -15.444 16.050 1.00 72.04 H new ATOM 0 HB3 LYS A 812 2.223 -14.017 17.062 1.00 72.04 H new ATOM 0 HG2 LYS A 812 1.164 -16.570 18.285 1.00 12.34 H new ATOM 0 HG3 LYS A 812 2.888 -16.432 18.003 1.00 12.34 H new ATOM 0 HD2 LYS A 812 2.766 -15.523 20.144 1.00 52.34 H new ATOM 0 HD3 LYS A 812 2.594 -14.062 19.192 1.00 52.34 H new ATOM 0 HE2 LYS A 812 0.297 -13.870 19.632 1.00 34.23 H new ATOM 0 HE3 LYS A 812 0.085 -15.593 19.869 1.00 34.23 H new ATOM 0 HZ1 LYS A 812 -0.044 -14.399 21.955 1.00 4.40 H new ATOM 0 HZ2 LYS A 812 1.307 -15.429 21.956 1.00 4.40 H new ATOM 0 HZ3 LYS A 812 1.512 -13.759 21.726 1.00 4.40 H new ATOM 357 N CYS A 813 0.604 -13.064 15.066 1.00 50.23 N ATOM 358 CA CYS A 813 0.399 -11.811 14.358 1.00 33.42 C ATOM 359 C CYS A 813 -0.056 -12.133 12.933 1.00 22.53 C ATOM 360 O CYS A 813 0.052 -11.295 12.039 1.00 34.43 O ATOM 361 CB CYS A 813 1.657 -10.941 14.373 1.00 53.40 C ATOM 362 SG CYS A 813 2.024 -10.401 16.082 1.00 11.35 S ATOM 0 H CYS A 813 1.337 -13.658 14.678 1.00 50.23 H new ATOM 0 HA CYS A 813 -0.372 -11.228 14.861 1.00 33.42 H new ATOM 0 HB2 CYS A 813 2.501 -11.501 13.971 1.00 53.40 H new ATOM 0 HB3 CYS A 813 1.516 -10.072 13.731 1.00 53.40 H new ATOM 0 HG CYS A 813 3.095 -9.665 16.084 1.00 11.35 H new ATOM 368 N LYS A 814 -0.554 -13.350 12.766 1.00 42.32 N ATOM 369 CA LYS A 814 -1.025 -13.793 11.465 1.00 50.13 C ATOM 370 C LYS A 814 0.056 -13.523 10.416 1.00 23.25 C ATOM 371 O LYS A 814 -0.139 -12.712 9.513 1.00 61.14 O ATOM 372 CB LYS A 814 -2.374 -13.150 11.136 1.00 31.30 C ATOM 373 CG LYS A 814 -3.169 -12.862 12.411 1.00 34.30 C ATOM 374 CD LYS A 814 -3.414 -14.146 13.206 1.00 34.32 C ATOM 375 CE LYS A 814 -4.306 -15.113 12.425 1.00 63.44 C ATOM 376 NZ LYS A 814 -3.482 -16.105 11.698 1.00 61.04 N ATOM 0 H LYS A 814 -0.641 -14.042 13.510 1.00 42.32 H new ATOM 0 HA LYS A 814 -1.203 -14.868 11.471 1.00 50.13 H new ATOM 0 HB2 LYS A 814 -2.214 -12.223 10.585 1.00 31.30 H new ATOM 0 HB3 LYS A 814 -2.948 -13.812 10.487 1.00 31.30 H new ATOM 0 HG2 LYS A 814 -2.626 -12.146 13.028 1.00 34.30 H new ATOM 0 HG3 LYS A 814 -4.123 -12.402 12.153 1.00 34.30 H new ATOM 0 HD2 LYS A 814 -2.462 -14.626 13.431 1.00 34.32 H new ATOM 0 HD3 LYS A 814 -3.882 -13.904 14.160 1.00 34.32 H new ATOM 0 HE2 LYS A 814 -4.983 -15.625 13.108 1.00 63.44 H new ATOM 0 HE3 LYS A 814 -4.924 -14.558 11.720 1.00 63.44 H new ATOM 0 HZ1 LYS A 814 -3.945 -16.349 10.799 1.00 61.04 H new ATOM 0 HZ2 LYS A 814 -2.543 -15.702 11.506 1.00 61.04 H new ATOM 0 HZ3 LYS A 814 -3.379 -16.962 12.278 1.00 61.04 H new ATOM 389 N ALA A 815 1.173 -14.219 10.572 1.00 2.34 N ATOM 390 CA ALA A 815 2.286 -14.064 9.651 1.00 72.44 C ATOM 391 C ALA A 815 2.721 -15.443 9.149 1.00 44.54 C ATOM 392 O ALA A 815 2.646 -16.427 9.883 1.00 42.34 O ATOM 393 CB ALA A 815 3.422 -13.310 10.344 1.00 63.33 C ATOM 0 H ALA A 815 1.331 -14.892 11.322 1.00 2.34 H new ATOM 0 HA ALA A 815 1.988 -13.476 8.783 1.00 72.44 H new ATOM 0 HB1 ALA A 815 4.257 -13.194 9.653 1.00 63.33 H new ATOM 0 HB2 ALA A 815 3.069 -12.327 10.655 1.00 63.33 H new ATOM 0 HB3 ALA A 815 3.751 -13.871 11.219 1.00 63.33 H new ATOM 399 N LEU A 816 3.167 -15.469 7.901 1.00 4.13 N ATOM 400 CA LEU A 816 3.615 -16.710 7.293 1.00 61.03 C ATOM 401 C LEU A 816 4.401 -17.524 8.323 1.00 52.22 C ATOM 402 O LEU A 816 5.248 -16.983 9.031 1.00 4.41 O ATOM 403 CB LEU A 816 4.396 -16.426 6.008 1.00 2.42 C ATOM 404 CG LEU A 816 5.280 -17.564 5.495 1.00 70.14 C ATOM 405 CD1 LEU A 816 6.497 -17.765 6.400 1.00 35.02 C ATOM 406 CD2 LEU A 816 4.472 -18.852 5.326 1.00 32.31 C ATOM 0 H LEU A 816 3.227 -14.651 7.295 1.00 4.13 H new ATOM 0 HA LEU A 816 2.761 -17.316 6.992 1.00 61.03 H new ATOM 0 HB2 LEU A 816 3.685 -16.164 5.225 1.00 2.42 H new ATOM 0 HB3 LEU A 816 5.024 -15.551 6.174 1.00 2.42 H new ATOM 0 HG LEU A 816 5.655 -17.287 4.510 1.00 70.14 H new ATOM 0 HD11 LEU A 816 7.108 -18.580 6.012 1.00 35.02 H new ATOM 0 HD12 LEU A 816 7.087 -16.849 6.425 1.00 35.02 H new ATOM 0 HD13 LEU A 816 6.164 -18.010 7.409 1.00 35.02 H new ATOM 0 HD21 LEU A 816 5.124 -19.645 4.960 1.00 32.31 H new ATOM 0 HD22 LEU A 816 4.048 -19.145 6.287 1.00 32.31 H new ATOM 0 HD23 LEU A 816 3.667 -18.685 4.610 1.00 32.31 H new ATOM 418 N ALA A 817 4.091 -18.811 8.374 1.00 62.04 N ATOM 419 CA ALA A 817 4.758 -19.705 9.305 1.00 12.14 C ATOM 420 C ALA A 817 5.522 -20.774 8.522 1.00 52.03 C ATOM 421 O ALA A 817 6.695 -21.027 8.791 1.00 1.44 O ATOM 422 CB ALA A 817 3.726 -20.308 10.261 1.00 64.00 C ATOM 0 H ALA A 817 3.387 -19.256 7.786 1.00 62.04 H new ATOM 0 HA ALA A 817 5.483 -19.159 9.909 1.00 12.14 H new ATOM 0 HB1 ALA A 817 4.226 -20.979 10.960 1.00 64.00 H new ATOM 0 HB2 ALA A 817 3.233 -19.509 10.815 1.00 64.00 H new ATOM 0 HB3 ALA A 817 2.984 -20.866 9.690 1.00 64.00 H new ATOM 428 N CYS A 818 4.825 -21.373 7.567 1.00 24.32 N ATOM 429 CA CYS A 818 5.424 -22.409 6.743 1.00 74.45 C ATOM 430 C CYS A 818 4.404 -22.827 5.682 1.00 73.45 C ATOM 431 O CYS A 818 3.392 -22.155 5.488 1.00 3.45 O ATOM 432 CB CYS A 818 5.894 -23.599 7.582 1.00 42.02 C ATOM 433 SG CYS A 818 7.444 -24.281 6.887 1.00 75.20 S ATOM 0 H CYS A 818 3.852 -21.161 7.346 1.00 24.32 H new ATOM 0 HA CYS A 818 6.317 -22.018 6.255 1.00 74.45 H new ATOM 0 HB2 CYS A 818 6.055 -23.286 8.614 1.00 42.02 H new ATOM 0 HB3 CYS A 818 5.123 -24.370 7.599 1.00 42.02 H new ATOM 0 HG CYS A 818 8.211 -23.306 6.499 1.00 75.20 H new ATOM 439 N TYR A 819 4.705 -23.936 5.021 1.00 12.04 N ATOM 440 CA TYR A 819 3.827 -24.452 3.985 1.00 53.32 C ATOM 441 C TYR A 819 3.447 -25.908 4.262 1.00 44.21 C ATOM 442 O TYR A 819 4.193 -26.633 4.919 1.00 52.02 O ATOM 443 CB TYR A 819 4.627 -24.385 2.683 1.00 51.55 C ATOM 444 CG TYR A 819 4.877 -22.962 2.178 1.00 14.22 C ATOM 445 CD1 TYR A 819 5.788 -22.151 2.824 1.00 51.14 C ATOM 446 CD2 TYR A 819 4.190 -22.489 1.078 1.00 64.32 C ATOM 447 CE1 TYR A 819 6.023 -20.812 2.349 1.00 52.21 C ATOM 448 CE2 TYR A 819 4.425 -21.150 0.603 1.00 23.22 C ATOM 449 CZ TYR A 819 5.330 -20.378 1.262 1.00 11.42 C ATOM 450 OH TYR A 819 5.552 -19.113 0.814 1.00 52.11 O ATOM 0 H TYR A 819 5.545 -24.491 5.183 1.00 12.04 H new ATOM 0 HA TYR A 819 2.905 -23.872 3.940 1.00 53.32 H new ATOM 0 HB2 TYR A 819 5.586 -24.880 2.832 1.00 51.55 H new ATOM 0 HB3 TYR A 819 4.096 -24.945 1.913 1.00 51.55 H new ATOM 0 HD1 TYR A 819 6.324 -22.520 3.685 1.00 51.14 H new ATOM 0 HD2 TYR A 819 3.476 -23.123 0.574 1.00 64.32 H new ATOM 0 HE1 TYR A 819 6.733 -20.167 2.845 1.00 52.21 H new ATOM 0 HE2 TYR A 819 3.895 -20.768 -0.257 1.00 23.22 H new ATOM 0 HH TYR A 819 4.989 -18.940 0.031 1.00 52.11 H new ATOM 460 N THR A 820 2.289 -26.292 3.747 1.00 32.30 N ATOM 461 CA THR A 820 1.801 -27.649 3.931 1.00 45.22 C ATOM 462 C THR A 820 2.564 -28.617 3.024 1.00 3.22 C ATOM 463 O THR A 820 2.561 -29.825 3.257 1.00 15.40 O ATOM 464 CB THR A 820 0.292 -27.646 3.683 1.00 33.42 C ATOM 465 OG1 THR A 820 -0.160 -28.857 4.283 1.00 34.14 O ATOM 466 CG2 THR A 820 -0.059 -27.811 2.203 1.00 13.51 C ATOM 0 H THR A 820 1.674 -25.688 3.202 1.00 32.30 H new ATOM 0 HA THR A 820 1.977 -27.999 4.948 1.00 45.22 H new ATOM 0 HB THR A 820 -0.135 -26.715 4.056 1.00 33.42 H new ATOM 0 HG1 THR A 820 0.035 -29.610 3.687 1.00 34.14 H new ATOM 0 HG21 THR A 820 -1.142 -27.802 2.083 1.00 13.51 H new ATOM 0 HG22 THR A 820 0.376 -26.991 1.632 1.00 13.51 H new ATOM 0 HG23 THR A 820 0.339 -28.758 1.838 1.00 13.51 H new ATOM 474 N ALA A 821 3.200 -28.050 2.010 1.00 64.14 N ATOM 475 CA ALA A 821 3.966 -28.848 1.067 1.00 41.21 C ATOM 476 C ALA A 821 5.303 -29.236 1.702 1.00 40.03 C ATOM 477 O ALA A 821 6.110 -29.928 1.083 1.00 4.32 O ATOM 478 CB ALA A 821 4.145 -28.067 -0.236 1.00 54.54 C ATOM 0 H ALA A 821 3.201 -27.048 1.820 1.00 64.14 H new ATOM 0 HA ALA A 821 3.436 -29.769 0.825 1.00 41.21 H new ATOM 0 HB1 ALA A 821 4.719 -28.666 -0.943 1.00 54.54 H new ATOM 0 HB2 ALA A 821 3.167 -27.841 -0.662 1.00 54.54 H new ATOM 0 HB3 ALA A 821 4.676 -27.137 -0.033 1.00 54.54 H new ATOM 484 N ASP A 822 5.496 -28.774 2.928 1.00 15.43 N ATOM 485 CA ASP A 822 6.721 -29.064 3.654 1.00 53.32 C ATOM 486 C ASP A 822 6.372 -29.705 4.999 1.00 43.43 C ATOM 487 O ASP A 822 7.259 -29.999 5.798 1.00 23.13 O ATOM 488 CB ASP A 822 7.513 -27.784 3.931 1.00 72.53 C ATOM 489 CG ASP A 822 7.649 -26.837 2.737 1.00 63.20 C ATOM 490 OD1 ASP A 822 6.818 -26.845 1.817 1.00 31.01 O ATOM 491 OD2 ASP A 822 8.675 -26.056 2.775 1.00 23.24 O ATOM 0 H ASP A 822 4.824 -28.200 3.438 1.00 15.43 H new ATOM 0 HA ASP A 822 7.324 -29.736 3.044 1.00 53.32 H new ATOM 0 HB2 ASP A 822 7.032 -27.247 4.749 1.00 72.53 H new ATOM 0 HB3 ASP A 822 8.511 -28.059 4.273 1.00 72.53 H new ATOM 497 N VAL A 823 5.079 -29.902 5.207 1.00 52.34 N ATOM 498 CA VAL A 823 4.602 -30.502 6.441 1.00 62.30 C ATOM 499 C VAL A 823 4.603 -32.025 6.295 1.00 35.33 C ATOM 500 O VAL A 823 4.077 -32.559 5.320 1.00 65.35 O ATOM 501 CB VAL A 823 3.227 -29.936 6.801 1.00 21.54 C ATOM 502 CG1 VAL A 823 2.121 -30.637 6.009 1.00 3.13 C ATOM 503 CG2 VAL A 823 2.971 -30.036 8.306 1.00 13.25 C ATOM 0 H VAL A 823 4.346 -29.657 4.541 1.00 52.34 H new ATOM 0 HA VAL A 823 5.267 -30.254 7.269 1.00 62.30 H new ATOM 0 HB VAL A 823 3.217 -28.881 6.528 1.00 21.54 H new ATOM 0 HG11 VAL A 823 1.154 -30.216 6.284 1.00 3.13 H new ATOM 0 HG12 VAL A 823 2.290 -30.492 4.942 1.00 3.13 H new ATOM 0 HG13 VAL A 823 2.130 -31.703 6.236 1.00 3.13 H new ATOM 0 HG21 VAL A 823 1.987 -29.627 8.536 1.00 13.25 H new ATOM 0 HG22 VAL A 823 3.010 -31.081 8.613 1.00 13.25 H new ATOM 0 HG23 VAL A 823 3.733 -29.471 8.843 1.00 13.25 H new ATOM 513 N ARG A 824 5.198 -32.682 7.280 1.00 14.13 N ATOM 514 CA ARG A 824 5.273 -34.133 7.274 1.00 2.11 C ATOM 515 C ARG A 824 5.249 -34.672 8.706 1.00 53.12 C ATOM 516 O ARG A 824 6.140 -34.375 9.500 1.00 51.00 O ATOM 517 CB ARG A 824 6.547 -34.615 6.577 1.00 72.12 C ATOM 518 CG ARG A 824 6.867 -33.747 5.358 1.00 1.24 C ATOM 519 CD ARG A 824 5.901 -34.038 4.208 1.00 31.03 C ATOM 520 NE ARG A 824 6.542 -34.939 3.225 1.00 74.41 N ATOM 521 CZ ARG A 824 6.012 -35.246 2.021 1.00 0.44 C ATOM 522 NH1 ARG A 824 4.826 -34.724 1.642 1.00 21.01 N ATOM 523 NH2 ARG A 824 6.671 -36.063 1.221 1.00 2.33 N ATOM 0 H ARG A 824 5.633 -32.236 8.088 1.00 14.13 H new ATOM 0 HA ARG A 824 4.408 -34.508 6.727 1.00 2.11 H new ATOM 0 HB2 ARG A 824 7.382 -34.587 7.277 1.00 72.12 H new ATOM 0 HB3 ARG A 824 6.426 -35.653 6.267 1.00 72.12 H new ATOM 0 HG2 ARG A 824 6.806 -32.694 5.631 1.00 1.24 H new ATOM 0 HG3 ARG A 824 7.891 -33.933 5.033 1.00 1.24 H new ATOM 0 HD2 ARG A 824 4.990 -34.496 4.594 1.00 31.03 H new ATOM 0 HD3 ARG A 824 5.608 -33.107 3.723 1.00 31.03 H new ATOM 0 HE ARG A 824 7.440 -35.354 3.472 1.00 74.41 H new ATOM 0 HH11 ARG A 824 4.324 -34.093 2.266 1.00 21.01 H new ATOM 0 HH12 ARG A 824 4.432 -34.961 0.731 1.00 21.01 H new ATOM 0 HH21 ARG A 824 7.567 -36.452 1.515 1.00 2.33 H new ATOM 0 HH22 ARG A 824 6.285 -36.305 0.309 1.00 2.33 H new ATOM 536 N VAL A 825 4.219 -35.455 8.992 1.00 53.40 N ATOM 537 CA VAL A 825 4.066 -36.038 10.314 1.00 4.42 C ATOM 538 C VAL A 825 4.994 -37.247 10.443 1.00 24.14 C ATOM 539 O VAL A 825 5.368 -37.857 9.443 1.00 75.52 O ATOM 540 CB VAL A 825 2.597 -36.381 10.568 1.00 23.45 C ATOM 541 CG1 VAL A 825 1.786 -35.122 10.880 1.00 74.44 C ATOM 542 CG2 VAL A 825 1.999 -37.141 9.383 1.00 52.33 C ATOM 0 H VAL A 825 3.482 -35.699 8.330 1.00 53.40 H new ATOM 0 HA VAL A 825 4.356 -35.322 11.083 1.00 4.42 H new ATOM 0 HB VAL A 825 2.551 -37.033 11.441 1.00 23.45 H new ATOM 0 HG11 VAL A 825 0.745 -35.394 11.056 1.00 74.44 H new ATOM 0 HG12 VAL A 825 2.191 -34.640 11.770 1.00 74.44 H new ATOM 0 HG13 VAL A 825 1.843 -34.434 10.036 1.00 74.44 H new ATOM 0 HG21 VAL A 825 0.954 -37.373 9.589 1.00 52.33 H new ATOM 0 HG22 VAL A 825 2.064 -36.525 8.486 1.00 52.33 H new ATOM 0 HG23 VAL A 825 2.552 -38.067 9.228 1.00 52.33 H new ATOM 552 N ILE A 826 5.340 -37.557 11.684 1.00 23.42 N ATOM 553 CA ILE A 826 6.218 -38.683 11.957 1.00 34.13 C ATOM 554 C ILE A 826 5.372 -39.918 12.273 1.00 72.43 C ATOM 555 O ILE A 826 5.146 -40.239 13.439 1.00 71.35 O ATOM 556 CB ILE A 826 7.220 -38.327 13.057 1.00 51.20 C ATOM 557 CG1 ILE A 826 8.363 -37.474 12.502 1.00 72.31 C ATOM 558 CG2 ILE A 826 7.733 -39.585 13.760 1.00 34.22 C ATOM 559 CD1 ILE A 826 8.767 -36.385 13.497 1.00 3.30 C ATOM 0 H ILE A 826 5.028 -37.048 12.511 1.00 23.42 H new ATOM 0 HA ILE A 826 6.816 -38.921 11.078 1.00 34.13 H new ATOM 0 HB ILE A 826 6.705 -37.727 13.807 1.00 51.20 H new ATOM 0 HG12 ILE A 826 9.222 -38.108 12.283 1.00 72.31 H new ATOM 0 HG13 ILE A 826 8.057 -37.017 11.561 1.00 72.31 H new ATOM 0 HG21 ILE A 826 8.444 -39.303 14.537 1.00 34.22 H new ATOM 0 HG22 ILE A 826 6.895 -40.118 14.210 1.00 34.22 H new ATOM 0 HG23 ILE A 826 8.226 -40.232 13.034 1.00 34.22 H new ATOM 0 HD11 ILE A 826 9.581 -35.793 13.078 1.00 3.30 H new ATOM 0 HD12 ILE A 826 7.912 -35.738 13.695 1.00 3.30 H new ATOM 0 HD13 ILE A 826 9.096 -36.847 14.428 1.00 3.30 H new ATOM 571 N GLU A 827 4.927 -40.578 11.213 1.00 23.12 N ATOM 572 CA GLU A 827 4.111 -41.771 11.363 1.00 64.25 C ATOM 573 C GLU A 827 2.924 -41.490 12.285 1.00 13.01 C ATOM 574 O GLU A 827 2.514 -42.356 13.057 1.00 4.53 O ATOM 575 CB GLU A 827 4.945 -42.944 11.884 1.00 52.34 C ATOM 576 CG GLU A 827 6.098 -43.263 10.931 1.00 44.25 C ATOM 577 CD GLU A 827 5.622 -44.133 9.765 1.00 3.15 C ATOM 578 OE1 GLU A 827 4.706 -44.951 9.937 1.00 43.14 O ATOM 579 OE2 GLU A 827 6.239 -43.935 8.650 1.00 62.41 O ATOM 0 H GLU A 827 5.116 -40.309 10.247 1.00 23.12 H new ATOM 0 HA GLU A 827 3.726 -42.049 10.382 1.00 64.25 H new ATOM 0 HB2 GLU A 827 5.340 -42.704 12.871 1.00 52.34 H new ATOM 0 HB3 GLU A 827 4.311 -43.823 12.000 1.00 52.34 H new ATOM 0 HG2 GLU A 827 6.524 -42.336 10.547 1.00 44.25 H new ATOM 0 HG3 GLU A 827 6.891 -43.778 11.473 1.00 44.25 H new ATOM 587 N GLU A 828 2.404 -40.276 12.174 1.00 34.54 N ATOM 588 CA GLU A 828 1.271 -39.870 12.989 1.00 20.40 C ATOM 589 C GLU A 828 1.679 -39.785 14.461 1.00 24.31 C ATOM 590 O GLU A 828 0.965 -40.273 15.336 1.00 4.52 O ATOM 591 CB GLU A 828 0.091 -40.826 12.802 1.00 54.51 C ATOM 592 CG GLU A 828 -0.027 -41.272 11.343 1.00 35.23 C ATOM 593 CD GLU A 828 -1.182 -42.260 11.164 1.00 22.32 C ATOM 594 OE1 GLU A 828 -2.158 -42.219 11.928 1.00 3.31 O ATOM 595 OE2 GLU A 828 -1.040 -43.093 10.189 1.00 14.01 O ATOM 0 H GLU A 828 2.746 -39.561 11.532 1.00 34.54 H new ATOM 0 HA GLU A 828 0.950 -38.880 12.663 1.00 20.40 H new ATOM 0 HB2 GLU A 828 0.220 -41.698 13.443 1.00 54.51 H new ATOM 0 HB3 GLU A 828 -0.832 -40.336 13.112 1.00 54.51 H new ATOM 0 HG2 GLU A 828 -0.185 -40.403 10.705 1.00 35.23 H new ATOM 0 HG3 GLU A 828 0.906 -41.736 11.024 1.00 35.23 H new ATOM 603 N CYS A 829 2.826 -39.163 14.689 1.00 45.31 N ATOM 604 CA CYS A 829 3.338 -39.007 16.040 1.00 64.51 C ATOM 605 C CYS A 829 3.334 -37.517 16.387 1.00 64.41 C ATOM 606 O CYS A 829 3.009 -37.139 17.511 1.00 33.11 O ATOM 607 CB CYS A 829 4.730 -39.625 16.192 1.00 32.20 C ATOM 608 SG CYS A 829 4.643 -41.435 15.932 1.00 0.44 S ATOM 0 H CYS A 829 3.416 -38.761 13.961 1.00 45.31 H new ATOM 0 HA CYS A 829 2.696 -39.543 16.739 1.00 64.51 H new ATOM 0 HB2 CYS A 829 5.416 -39.178 15.472 1.00 32.20 H new ATOM 0 HB3 CYS A 829 5.126 -39.410 17.185 1.00 32.20 H new ATOM 0 HG CYS A 829 4.811 -41.701 14.671 1.00 0.44 H new ATOM 614 N HIS A 830 3.700 -36.712 15.401 1.00 40.24 N ATOM 615 CA HIS A 830 3.743 -35.271 15.588 1.00 73.55 C ATOM 616 C HIS A 830 3.644 -34.575 14.229 1.00 13.51 C ATOM 617 O HIS A 830 3.938 -35.175 13.196 1.00 1.55 O ATOM 618 CB HIS A 830 4.990 -34.863 16.374 1.00 15.53 C ATOM 619 CG HIS A 830 4.929 -35.206 17.844 1.00 74.14 C ATOM 620 ND1 HIS A 830 3.910 -35.093 18.744 1.00 53.42 N flip ATOM 621 CD2 HIS A 830 6.006 -35.732 18.536 1.00 43.11 C flip ATOM 622 CE1 HIS A 830 4.341 -35.527 19.922 1.00 64.11 C flip ATOM 623 NE2 HIS A 830 5.640 -35.923 19.795 1.00 63.13 N flip ATOM 0 H HIS A 830 3.970 -37.030 14.470 1.00 40.24 H new ATOM 0 HA HIS A 830 2.888 -34.951 16.184 1.00 73.55 H new ATOM 0 HB2 HIS A 830 5.860 -35.350 15.934 1.00 15.53 H new ATOM 0 HB3 HIS A 830 5.138 -33.788 16.268 1.00 15.53 H new ATOM 0 HD2 HIS A 830 6.979 -35.950 18.121 1.00 43.11 H new ATOM 0 HE1 HIS A 830 3.759 -35.561 20.831 1.00 64.11 H new ATOM 0 HE2 HIS A 830 6.227 -36.300 20.539 1.00 63.13 H new ATOM 631 N TYR A 831 3.228 -33.317 14.274 1.00 70.30 N ATOM 632 CA TYR A 831 3.086 -32.532 13.060 1.00 64.14 C ATOM 633 C TYR A 831 4.178 -31.464 12.967 1.00 63.34 C ATOM 634 O TYR A 831 4.071 -30.406 13.584 1.00 55.23 O ATOM 635 CB TYR A 831 1.724 -31.844 13.159 1.00 13.31 C ATOM 636 CG TYR A 831 0.921 -31.860 11.857 1.00 64.55 C ATOM 637 CD1 TYR A 831 1.571 -32.005 10.648 1.00 64.05 C ATOM 638 CD2 TYR A 831 -0.452 -31.731 11.890 1.00 31.12 C ATOM 639 CE1 TYR A 831 0.816 -32.021 9.421 1.00 4.15 C ATOM 640 CE2 TYR A 831 -1.207 -31.747 10.664 1.00 12.02 C ATOM 641 CZ TYR A 831 -0.536 -31.891 9.490 1.00 23.13 C ATOM 642 OH TYR A 831 -1.249 -31.906 8.332 1.00 22.04 O ATOM 0 H TYR A 831 2.985 -32.823 15.132 1.00 70.30 H new ATOM 0 HA TYR A 831 3.169 -33.169 12.179 1.00 64.14 H new ATOM 0 HB2 TYR A 831 1.139 -32.330 13.940 1.00 13.31 H new ATOM 0 HB3 TYR A 831 1.873 -30.810 13.469 1.00 13.31 H new ATOM 0 HD1 TYR A 831 2.646 -32.106 10.622 1.00 64.05 H new ATOM 0 HD2 TYR A 831 -0.961 -31.618 12.836 1.00 31.12 H new ATOM 0 HE1 TYR A 831 1.312 -32.134 8.468 1.00 4.15 H new ATOM 0 HE2 TYR A 831 -2.282 -31.647 10.677 1.00 12.02 H new ATOM 0 HH TYR A 831 -0.687 -32.248 7.606 1.00 22.04 H new ATOM 652 N THR A 832 5.205 -31.779 12.190 1.00 32.34 N ATOM 653 CA THR A 832 6.315 -30.860 12.009 1.00 64.13 C ATOM 654 C THR A 832 6.381 -30.383 10.556 1.00 34.15 C ATOM 655 O THR A 832 5.485 -30.671 9.764 1.00 12.50 O ATOM 656 CB THR A 832 7.592 -31.563 12.475 1.00 12.34 C ATOM 657 OG1 THR A 832 7.185 -32.288 13.632 1.00 24.35 O ATOM 658 CG2 THR A 832 8.642 -30.582 13.001 1.00 52.54 C ATOM 0 H THR A 832 5.291 -32.658 11.679 1.00 32.34 H new ATOM 0 HA THR A 832 6.184 -29.959 12.609 1.00 64.13 H new ATOM 0 HB THR A 832 8.013 -32.137 11.649 1.00 12.34 H new ATOM 0 HG1 THR A 832 7.952 -32.776 13.999 1.00 24.35 H new ATOM 0 HG21 THR A 832 9.528 -31.133 13.318 1.00 52.54 H new ATOM 0 HG22 THR A 832 8.914 -29.882 12.211 1.00 52.54 H new ATOM 0 HG23 THR A 832 8.234 -30.032 13.849 1.00 52.54 H new ATOM 666 N VAL A 833 7.450 -29.662 10.251 1.00 34.34 N ATOM 667 CA VAL A 833 7.644 -29.143 8.908 1.00 15.44 C ATOM 668 C VAL A 833 9.114 -29.298 8.514 1.00 54.34 C ATOM 669 O VAL A 833 9.958 -29.597 9.356 1.00 1.13 O ATOM 670 CB VAL A 833 7.153 -27.695 8.832 1.00 63.34 C ATOM 671 CG1 VAL A 833 6.957 -27.260 7.378 1.00 15.42 C ATOM 672 CG2 VAL A 833 5.867 -27.508 9.639 1.00 23.51 C ATOM 0 H VAL A 833 8.191 -29.425 10.911 1.00 34.34 H new ATOM 0 HA VAL A 833 7.054 -29.711 8.189 1.00 15.44 H new ATOM 0 HB VAL A 833 7.919 -27.057 9.273 1.00 63.34 H new ATOM 0 HG11 VAL A 833 6.608 -26.228 7.351 1.00 15.42 H new ATOM 0 HG12 VAL A 833 7.904 -27.337 6.844 1.00 15.42 H new ATOM 0 HG13 VAL A 833 6.219 -27.905 6.902 1.00 15.42 H new ATOM 0 HG21 VAL A 833 5.540 -26.471 9.568 1.00 23.51 H new ATOM 0 HG22 VAL A 833 5.090 -28.161 9.242 1.00 23.51 H new ATOM 0 HG23 VAL A 833 6.053 -27.759 10.683 1.00 23.51 H new ATOM 682 N LEU A 834 9.374 -29.087 7.232 1.00 62.12 N ATOM 683 CA LEU A 834 10.728 -29.200 6.715 1.00 54.31 C ATOM 684 C LEU A 834 11.076 -27.934 5.929 1.00 13.11 C ATOM 685 O LEU A 834 10.203 -27.114 5.647 1.00 20.24 O ATOM 686 CB LEU A 834 10.887 -30.489 5.906 1.00 12.24 C ATOM 687 CG LEU A 834 10.464 -31.779 6.611 1.00 33.23 C ATOM 688 CD1 LEU A 834 9.977 -32.821 5.602 1.00 11.12 C ATOM 689 CD2 LEU A 834 11.593 -32.318 7.492 1.00 34.31 C ATOM 0 H LEU A 834 8.671 -28.839 6.536 1.00 62.12 H new ATOM 0 HA LEU A 834 11.444 -29.275 7.534 1.00 54.31 H new ATOM 0 HB2 LEU A 834 10.307 -30.393 4.988 1.00 12.24 H new ATOM 0 HB3 LEU A 834 11.933 -30.584 5.613 1.00 12.24 H new ATOM 0 HG LEU A 834 9.625 -31.550 7.268 1.00 33.23 H new ATOM 0 HD11 LEU A 834 9.682 -33.728 6.129 1.00 11.12 H new ATOM 0 HD12 LEU A 834 9.121 -32.425 5.055 1.00 11.12 H new ATOM 0 HD13 LEU A 834 10.780 -33.053 4.902 1.00 11.12 H new ATOM 0 HD21 LEU A 834 11.266 -33.235 7.982 1.00 34.31 H new ATOM 0 HD22 LEU A 834 12.467 -32.527 6.876 1.00 34.31 H new ATOM 0 HD23 LEU A 834 11.851 -31.576 8.247 1.00 34.31 H new ATOM 701 N GLY A 835 12.353 -27.814 5.597 1.00 32.34 N ATOM 702 CA GLY A 835 12.827 -26.662 4.850 1.00 61.34 C ATOM 703 C GLY A 835 13.385 -25.591 5.789 1.00 50.24 C ATOM 704 O GLY A 835 12.757 -25.249 6.790 1.00 72.44 O ATOM 0 H GLY A 835 13.074 -28.496 5.832 1.00 32.34 H new ATOM 0 HA2 GLY A 835 13.600 -26.973 4.147 1.00 61.34 H new ATOM 0 HA3 GLY A 835 12.010 -26.245 4.261 1.00 61.34 H new ATOM 708 N ASP A 836 14.559 -25.090 5.432 1.00 32.13 N ATOM 709 CA ASP A 836 15.208 -24.064 6.231 1.00 63.43 C ATOM 710 C ASP A 836 14.364 -22.789 6.199 1.00 0.22 C ATOM 711 O ASP A 836 14.601 -21.864 6.975 1.00 73.10 O ATOM 712 CB ASP A 836 16.593 -23.728 5.674 1.00 24.45 C ATOM 713 CG ASP A 836 16.593 -23.067 4.295 1.00 41.21 C ATOM 714 OD1 ASP A 836 15.895 -23.514 3.372 1.00 4.44 O ATOM 715 OD2 ASP A 836 17.361 -22.036 4.185 1.00 55.33 O ATOM 0 H ASP A 836 15.077 -25.375 4.601 1.00 32.13 H new ATOM 0 HA ASP A 836 15.310 -24.442 7.248 1.00 63.43 H new ATOM 0 HB2 ASP A 836 17.100 -23.067 6.377 1.00 24.45 H new ATOM 0 HB3 ASP A 836 17.179 -24.646 5.620 1.00 24.45 H new ATOM 721 N ALA A 837 13.396 -22.780 5.294 1.00 25.01 N ATOM 722 CA ALA A 837 12.516 -21.633 5.151 1.00 33.23 C ATOM 723 C ALA A 837 11.921 -21.279 6.516 1.00 71.42 C ATOM 724 O ALA A 837 11.781 -20.104 6.850 1.00 3.12 O ATOM 725 CB ALA A 837 11.440 -21.943 4.109 1.00 54.54 C ATOM 0 H ALA A 837 13.202 -23.549 4.653 1.00 25.01 H new ATOM 0 HA ALA A 837 13.071 -20.764 4.798 1.00 33.23 H new ATOM 0 HB1 ALA A 837 10.779 -21.083 4.001 1.00 54.54 H new ATOM 0 HB2 ALA A 837 11.913 -22.160 3.151 1.00 54.54 H new ATOM 0 HB3 ALA A 837 10.860 -22.808 4.431 1.00 54.54 H new ATOM 731 N PHE A 838 11.586 -22.318 7.267 1.00 23.11 N ATOM 732 CA PHE A 838 11.010 -22.132 8.588 1.00 52.22 C ATOM 733 C PHE A 838 12.103 -21.966 9.645 1.00 2.40 C ATOM 734 O PHE A 838 11.867 -21.382 10.702 1.00 75.14 O ATOM 735 CB PHE A 838 10.199 -23.390 8.903 1.00 32.13 C ATOM 736 CG PHE A 838 11.022 -24.522 9.521 1.00 31.23 C ATOM 737 CD1 PHE A 838 11.514 -24.395 10.783 1.00 74.01 C ATOM 738 CD2 PHE A 838 11.262 -25.656 8.809 1.00 52.40 C ATOM 739 CE1 PHE A 838 12.277 -25.446 11.357 1.00 44.35 C ATOM 740 CE2 PHE A 838 12.026 -26.706 9.383 1.00 73.34 C ATOM 741 CZ PHE A 838 12.517 -26.579 10.644 1.00 24.22 C ATOM 0 H PHE A 838 11.702 -23.292 6.986 1.00 23.11 H new ATOM 0 HA PHE A 838 10.391 -21.235 8.601 1.00 52.22 H new ATOM 0 HB2 PHE A 838 9.391 -23.127 9.586 1.00 32.13 H new ATOM 0 HB3 PHE A 838 9.736 -23.751 7.985 1.00 32.13 H new ATOM 0 HD1 PHE A 838 11.324 -23.495 11.348 1.00 74.01 H new ATOM 0 HD2 PHE A 838 10.871 -25.758 7.807 1.00 52.40 H new ATOM 0 HE1 PHE A 838 12.667 -25.346 12.359 1.00 44.35 H new ATOM 0 HE2 PHE A 838 12.217 -27.606 8.817 1.00 73.34 H new ATOM 0 HZ PHE A 838 13.098 -27.378 11.080 1.00 24.22 H new ATOM 751 N LYS A 839 13.277 -22.489 9.324 1.00 61.25 N ATOM 752 CA LYS A 839 14.408 -22.406 10.232 1.00 33.25 C ATOM 753 C LYS A 839 14.754 -20.936 10.476 1.00 13.13 C ATOM 754 O LYS A 839 15.340 -20.594 11.502 1.00 34.34 O ATOM 755 CB LYS A 839 15.581 -23.235 9.705 1.00 11.23 C ATOM 756 CG LYS A 839 15.312 -24.732 9.868 1.00 34.21 C ATOM 757 CD LYS A 839 16.620 -25.524 9.908 1.00 44.52 C ATOM 758 CE LYS A 839 17.633 -24.959 8.909 1.00 73.41 C ATOM 759 NZ LYS A 839 18.486 -23.938 9.557 1.00 53.15 N ATOM 0 H LYS A 839 13.470 -22.972 8.447 1.00 61.25 H new ATOM 0 HA LYS A 839 14.152 -22.838 11.199 1.00 33.25 H new ATOM 0 HB2 LYS A 839 15.750 -23.005 8.653 1.00 11.23 H new ATOM 0 HB3 LYS A 839 16.491 -22.965 10.241 1.00 11.23 H new ATOM 0 HG2 LYS A 839 14.749 -24.906 10.785 1.00 34.21 H new ATOM 0 HG3 LYS A 839 14.694 -25.086 9.043 1.00 34.21 H new ATOM 0 HD2 LYS A 839 17.039 -25.491 10.914 1.00 44.52 H new ATOM 0 HD3 LYS A 839 16.423 -26.571 9.679 1.00 44.52 H new ATOM 0 HE2 LYS A 839 18.254 -25.764 8.517 1.00 73.41 H new ATOM 0 HE3 LYS A 839 17.109 -24.519 8.061 1.00 73.41 H new ATOM 0 HZ1 LYS A 839 18.372 -23.028 9.066 1.00 53.15 H new ATOM 0 HZ2 LYS A 839 18.205 -23.832 10.553 1.00 53.15 H new ATOM 0 HZ3 LYS A 839 19.481 -24.235 9.508 1.00 53.15 H new ATOM 772 N GLU A 840 14.376 -20.105 9.516 1.00 65.25 N ATOM 773 CA GLU A 840 14.640 -18.679 9.613 1.00 75.51 C ATOM 774 C GLU A 840 13.378 -17.936 10.055 1.00 55.12 C ATOM 775 O GLU A 840 13.435 -16.754 10.389 1.00 15.45 O ATOM 776 CB GLU A 840 15.165 -18.127 8.287 1.00 63.14 C ATOM 777 CG GLU A 840 14.166 -18.375 7.155 1.00 51.42 C ATOM 778 CD GLU A 840 14.521 -17.546 5.919 1.00 64.24 C ATOM 779 OE1 GLU A 840 13.682 -17.381 5.021 1.00 63.24 O ATOM 780 OE2 GLU A 840 15.718 -17.064 5.911 1.00 70.32 O ATOM 0 H GLU A 840 13.889 -20.392 8.667 1.00 65.25 H new ATOM 0 HA GLU A 840 15.413 -18.522 10.365 1.00 75.51 H new ATOM 0 HB2 GLU A 840 15.353 -17.058 8.383 1.00 63.14 H new ATOM 0 HB3 GLU A 840 16.118 -18.597 8.045 1.00 63.14 H new ATOM 0 HG2 GLU A 840 14.159 -19.434 6.897 1.00 51.42 H new ATOM 0 HG3 GLU A 840 13.160 -18.122 7.491 1.00 51.42 H new ATOM 788 N CYS A 841 12.268 -18.659 10.042 1.00 73.43 N ATOM 789 CA CYS A 841 10.994 -18.083 10.437 1.00 12.00 C ATOM 790 C CYS A 841 10.883 -18.162 11.961 1.00 73.52 C ATOM 791 O CYS A 841 10.279 -17.294 12.589 1.00 74.31 O ATOM 792 CB CYS A 841 9.820 -18.776 9.742 1.00 13.42 C ATOM 793 SG CYS A 841 9.847 -18.406 7.950 1.00 33.12 S ATOM 0 H CYS A 841 12.225 -19.639 9.764 1.00 73.43 H new ATOM 0 HA CYS A 841 10.951 -17.040 10.124 1.00 12.00 H new ATOM 0 HB2 CYS A 841 9.877 -19.853 9.900 1.00 13.42 H new ATOM 0 HB3 CYS A 841 8.879 -18.439 10.177 1.00 13.42 H new ATOM 0 HG CYS A 841 10.568 -19.295 7.334 1.00 33.12 H new ATOM 799 N PHE A 842 11.475 -19.212 12.511 1.00 1.25 N ATOM 800 CA PHE A 842 11.450 -19.416 13.950 1.00 43.01 C ATOM 801 C PHE A 842 12.869 -19.486 14.518 1.00 21.53 C ATOM 802 O PHE A 842 13.839 -19.221 13.810 1.00 2.44 O ATOM 803 CB PHE A 842 10.746 -20.751 14.200 1.00 25.21 C ATOM 804 CG PHE A 842 11.701 -21.926 14.423 1.00 44.31 C ATOM 805 CD1 PHE A 842 12.723 -22.146 13.553 1.00 43.11 C ATOM 806 CD2 PHE A 842 11.528 -22.750 15.491 1.00 43.40 C ATOM 807 CE1 PHE A 842 13.609 -23.236 13.760 1.00 44.13 C ATOM 808 CE2 PHE A 842 12.414 -23.840 15.698 1.00 44.22 C ATOM 809 CZ PHE A 842 13.436 -24.060 14.828 1.00 43.13 C ATOM 0 H PHE A 842 11.975 -19.930 11.987 1.00 1.25 H new ATOM 0 HA PHE A 842 10.934 -18.587 14.435 1.00 43.01 H new ATOM 0 HB2 PHE A 842 10.099 -20.651 15.072 1.00 25.21 H new ATOM 0 HB3 PHE A 842 10.102 -20.976 13.349 1.00 25.21 H new ATOM 0 HD1 PHE A 842 12.861 -21.492 12.705 1.00 43.11 H new ATOM 0 HD2 PHE A 842 10.716 -22.575 16.182 1.00 43.40 H new ATOM 0 HE1 PHE A 842 14.421 -23.411 13.069 1.00 44.13 H new ATOM 0 HE2 PHE A 842 12.276 -24.494 16.546 1.00 44.22 H new ATOM 0 HZ PHE A 842 14.110 -24.889 14.985 1.00 43.13 H new ATOM 819 N VAL A 843 12.945 -19.846 15.791 1.00 21.12 N ATOM 820 CA VAL A 843 14.229 -19.955 16.463 1.00 40.12 C ATOM 821 C VAL A 843 14.154 -21.056 17.523 1.00 54.23 C ATOM 822 O VAL A 843 13.065 -21.483 17.903 1.00 55.21 O ATOM 823 CB VAL A 843 14.635 -18.597 17.039 1.00 11.01 C ATOM 824 CG1 VAL A 843 14.508 -17.494 15.986 1.00 64.51 C ATOM 825 CG2 VAL A 843 13.812 -18.262 18.285 1.00 24.21 C ATOM 0 H VAL A 843 12.138 -20.066 16.375 1.00 21.12 H new ATOM 0 HA VAL A 843 15.008 -20.239 15.755 1.00 40.12 H new ATOM 0 HB VAL A 843 15.682 -18.659 17.335 1.00 11.01 H new ATOM 0 HG11 VAL A 843 14.803 -16.539 16.422 1.00 64.51 H new ATOM 0 HG12 VAL A 843 15.156 -17.722 15.140 1.00 64.51 H new ATOM 0 HG13 VAL A 843 13.474 -17.434 15.645 1.00 64.51 H new ATOM 0 HG21 VAL A 843 14.120 -17.292 18.675 1.00 24.21 H new ATOM 0 HG22 VAL A 843 12.754 -18.229 18.024 1.00 24.21 H new ATOM 0 HG23 VAL A 843 13.975 -19.026 19.045 1.00 24.21 H new ATOM 835 N SER A 844 15.325 -21.484 17.970 1.00 40.22 N ATOM 836 CA SER A 844 15.406 -22.527 18.978 1.00 15.34 C ATOM 837 C SER A 844 16.473 -22.171 20.015 1.00 11.31 C ATOM 838 O SER A 844 17.613 -21.874 19.661 1.00 12.20 O ATOM 839 CB SER A 844 15.714 -23.884 18.344 1.00 70.15 C ATOM 840 OG SER A 844 17.113 -24.082 18.160 1.00 22.11 O ATOM 0 H SER A 844 16.226 -21.127 17.652 1.00 40.22 H new ATOM 0 HA SER A 844 14.437 -22.600 19.473 1.00 15.34 H new ATOM 0 HB2 SER A 844 15.315 -24.678 18.976 1.00 70.15 H new ATOM 0 HB3 SER A 844 15.208 -23.958 17.382 1.00 70.15 H new ATOM 0 HG SER A 844 17.269 -24.960 17.754 1.00 22.11 H new ATOM 846 N ARG A 845 16.065 -22.212 21.275 1.00 24.31 N ATOM 847 CA ARG A 845 16.973 -21.898 22.366 1.00 55.12 C ATOM 848 C ARG A 845 17.036 -23.063 23.356 1.00 41.41 C ATOM 849 O ARG A 845 16.057 -23.786 23.533 1.00 40.13 O ATOM 850 CB ARG A 845 16.529 -20.634 23.104 1.00 13.52 C ATOM 851 CG ARG A 845 15.752 -19.700 22.174 1.00 13.30 C ATOM 852 CD ARG A 845 16.649 -19.172 21.053 1.00 72.05 C ATOM 853 NE ARG A 845 17.314 -17.922 21.483 1.00 63.05 N ATOM 854 CZ ARG A 845 16.681 -16.738 21.626 1.00 64.21 C ATOM 855 NH1 ARG A 845 15.359 -16.633 21.374 1.00 22.31 N ATOM 856 NH2 ARG A 845 17.375 -15.685 22.016 1.00 52.11 N ATOM 0 H ARG A 845 15.118 -22.458 21.565 1.00 24.31 H new ATOM 0 HA ARG A 845 17.961 -21.727 21.938 1.00 55.12 H new ATOM 0 HB2 ARG A 845 15.906 -20.906 23.956 1.00 13.52 H new ATOM 0 HB3 ARG A 845 17.401 -20.115 23.501 1.00 13.52 H new ATOM 0 HG2 ARG A 845 14.903 -20.232 21.745 1.00 13.30 H new ATOM 0 HG3 ARG A 845 15.349 -18.864 22.746 1.00 13.30 H new ATOM 0 HD2 ARG A 845 17.397 -19.920 20.792 1.00 72.05 H new ATOM 0 HD3 ARG A 845 16.056 -18.988 20.157 1.00 72.05 H new ATOM 0 HE ARG A 845 18.313 -17.957 21.684 1.00 63.05 H new ATOM 0 HH11 ARG A 845 14.831 -17.452 21.073 1.00 22.31 H new ATOM 0 HH12 ARG A 845 14.889 -15.735 21.485 1.00 22.31 H new ATOM 0 HH21 ARG A 845 18.374 -15.773 22.204 1.00 52.11 H new ATOM 0 HH22 ARG A 845 16.913 -14.783 22.129 1.00 52.11 H new ATOM 869 N PRO A 846 18.229 -23.212 23.992 1.00 12.22 N ATOM 870 CA PRO A 846 18.433 -24.276 24.960 1.00 72.32 C ATOM 871 C PRO A 846 17.729 -23.959 26.281 1.00 74.14 C ATOM 872 O PRO A 846 16.846 -23.103 26.328 1.00 65.20 O ATOM 873 CB PRO A 846 19.941 -24.393 25.104 1.00 4.01 C ATOM 874 CG PRO A 846 20.513 -23.089 24.571 1.00 22.31 C ATOM 875 CD PRO A 846 19.410 -22.374 23.808 1.00 63.21 C ATOM 0 HA PRO A 846 18.002 -25.224 24.639 1.00 72.32 H new ATOM 0 HB2 PRO A 846 20.223 -24.546 26.146 1.00 4.01 H new ATOM 0 HB3 PRO A 846 20.322 -25.245 24.542 1.00 4.01 H new ATOM 0 HG2 PRO A 846 20.875 -22.468 25.390 1.00 22.31 H new ATOM 0 HG3 PRO A 846 21.364 -23.284 23.919 1.00 22.31 H new ATOM 0 HD2 PRO A 846 19.247 -21.369 24.197 1.00 63.21 H new ATOM 0 HD3 PRO A 846 19.662 -22.270 22.752 1.00 63.21 H new ATOM 883 N HIS A 847 18.145 -24.666 27.321 1.00 72.21 N ATOM 884 CA HIS A 847 17.565 -24.471 28.639 1.00 40.31 C ATOM 885 C HIS A 847 16.327 -25.356 28.791 1.00 31.54 C ATOM 886 O HIS A 847 15.216 -24.939 28.467 1.00 45.04 O ATOM 887 CB HIS A 847 17.269 -22.990 28.888 1.00 24.42 C ATOM 888 CG HIS A 847 18.312 -22.053 28.327 1.00 53.04 C ATOM 889 ND1 HIS A 847 19.572 -22.295 27.864 1.00 31.14 N flip ATOM 890 CD2 HIS A 847 18.103 -20.691 28.196 1.00 32.31 C flip ATOM 891 CE1 HIS A 847 20.103 -21.144 27.471 1.00 22.31 C flip ATOM 892 NE2 HIS A 847 19.194 -20.148 27.677 1.00 22.34 N flip ATOM 0 H HIS A 847 18.877 -25.375 27.278 1.00 72.21 H new ATOM 0 HA HIS A 847 18.281 -24.773 29.404 1.00 40.31 H new ATOM 0 HB2 HIS A 847 16.302 -22.745 28.450 1.00 24.42 H new ATOM 0 HB3 HIS A 847 17.184 -22.822 29.962 1.00 24.42 H new ATOM 0 HD2 HIS A 847 17.203 -20.161 28.470 1.00 32.31 H new ATOM 0 HE1 HIS A 847 21.092 -21.017 27.056 1.00 22.31 H new ATOM 0 HE2 HIS A 847 19.330 -19.159 27.468 1.00 22.34 H new ATOM 900 N PRO A 848 16.566 -26.595 29.299 1.00 32.40 N ATOM 901 CA PRO A 848 15.483 -27.544 29.499 1.00 43.23 C ATOM 902 C PRO A 848 14.643 -27.167 30.721 1.00 72.45 C ATOM 903 O PRO A 848 15.185 -26.844 31.776 1.00 24.51 O ATOM 904 CB PRO A 848 16.165 -28.895 29.640 1.00 2.10 C ATOM 905 CG PRO A 848 17.616 -28.596 29.979 1.00 5.10 C ATOM 906 CD PRO A 848 17.868 -27.124 29.695 1.00 72.12 C ATOM 0 HA PRO A 848 14.775 -27.555 28.671 1.00 43.23 H new ATOM 0 HB2 PRO A 848 15.695 -29.490 30.424 1.00 2.10 H new ATOM 0 HB3 PRO A 848 16.090 -29.469 28.716 1.00 2.10 H new ATOM 0 HG2 PRO A 848 17.818 -28.823 31.026 1.00 5.10 H new ATOM 0 HG3 PRO A 848 18.283 -29.219 29.384 1.00 5.10 H new ATOM 0 HD2 PRO A 848 18.253 -26.611 30.576 1.00 72.12 H new ATOM 0 HD3 PRO A 848 18.606 -26.994 28.903 1.00 72.12 H new ATOM 914 N LYS A 849 13.332 -27.222 30.537 1.00 51.24 N ATOM 915 CA LYS A 849 12.411 -26.891 31.611 1.00 41.32 C ATOM 916 C LYS A 849 11.222 -27.853 31.572 1.00 52.42 C ATOM 917 O LYS A 849 10.381 -27.769 30.678 1.00 35.35 O ATOM 918 CB LYS A 849 12.012 -25.416 31.538 1.00 15.45 C ATOM 919 CG LYS A 849 11.612 -24.887 32.918 1.00 62.42 C ATOM 920 CD LYS A 849 12.843 -24.450 33.715 1.00 71.22 C ATOM 921 CE LYS A 849 13.311 -23.059 33.282 1.00 72.43 C ATOM 922 NZ LYS A 849 14.487 -22.638 34.075 1.00 65.25 N ATOM 0 H LYS A 849 12.886 -27.491 29.660 1.00 51.24 H new ATOM 0 HA LYS A 849 12.893 -27.019 32.580 1.00 41.32 H new ATOM 0 HB2 LYS A 849 12.843 -24.830 31.147 1.00 15.45 H new ATOM 0 HB3 LYS A 849 11.181 -25.294 30.843 1.00 15.45 H new ATOM 0 HG2 LYS A 849 10.930 -24.045 32.805 1.00 62.42 H new ATOM 0 HG3 LYS A 849 11.075 -25.661 33.467 1.00 62.42 H new ATOM 0 HD2 LYS A 849 12.608 -24.444 34.779 1.00 71.22 H new ATOM 0 HD3 LYS A 849 13.649 -25.170 33.571 1.00 71.22 H new ATOM 0 HE2 LYS A 849 13.564 -23.068 32.222 1.00 72.43 H new ATOM 0 HE3 LYS A 849 12.502 -22.340 33.411 1.00 72.43 H new ATOM 0 HZ1 LYS A 849 14.792 -21.692 33.769 1.00 65.25 H new ATOM 0 HZ2 LYS A 849 14.234 -22.610 35.083 1.00 65.25 H new ATOM 0 HZ3 LYS A 849 15.263 -23.315 33.931 1.00 65.25 H new ATOM 935 N PRO A 850 11.189 -28.767 32.578 1.00 63.33 N ATOM 936 CA PRO A 850 10.117 -29.744 32.667 1.00 42.13 C ATOM 937 C PRO A 850 8.825 -29.096 33.168 1.00 40.33 C ATOM 938 O PRO A 850 8.863 -28.182 33.990 1.00 1.30 O ATOM 939 CB PRO A 850 10.643 -30.821 33.602 1.00 53.04 C ATOM 940 CG PRO A 850 11.794 -30.185 34.364 1.00 32.44 C ATOM 941 CD PRO A 850 12.169 -28.896 33.653 1.00 55.41 C ATOM 0 HA PRO A 850 9.854 -30.170 31.699 1.00 42.13 H new ATOM 0 HB2 PRO A 850 9.864 -31.161 34.284 1.00 53.04 H new ATOM 0 HB3 PRO A 850 10.980 -31.694 33.042 1.00 53.04 H new ATOM 0 HG2 PRO A 850 11.503 -29.982 35.395 1.00 32.44 H new ATOM 0 HG3 PRO A 850 12.647 -30.862 34.401 1.00 32.44 H new ATOM 0 HD2 PRO A 850 12.128 -28.043 34.331 1.00 55.41 H new ATOM 0 HD3 PRO A 850 13.185 -28.942 33.260 1.00 55.41 H new ATOM 949 N LYS A 851 7.712 -29.594 32.651 1.00 34.31 N ATOM 950 CA LYS A 851 6.410 -29.075 33.036 1.00 60.31 C ATOM 951 C LYS A 851 5.579 -30.202 33.654 1.00 50.43 C ATOM 952 O LYS A 851 6.077 -31.309 33.851 1.00 11.20 O ATOM 953 CB LYS A 851 5.732 -28.393 31.846 1.00 4.51 C ATOM 954 CG LYS A 851 6.031 -29.137 30.543 1.00 24.23 C ATOM 955 CD LYS A 851 5.409 -28.418 29.345 1.00 13.22 C ATOM 956 CE LYS A 851 3.881 -28.451 29.419 1.00 12.14 C ATOM 957 NZ LYS A 851 3.290 -27.820 28.218 1.00 11.22 N ATOM 0 H LYS A 851 7.684 -30.352 31.969 1.00 34.31 H new ATOM 0 HA LYS A 851 6.518 -28.303 33.798 1.00 60.31 H new ATOM 0 HB2 LYS A 851 4.655 -28.356 32.009 1.00 4.51 H new ATOM 0 HB3 LYS A 851 6.078 -27.362 31.768 1.00 4.51 H new ATOM 0 HG2 LYS A 851 7.109 -29.216 30.404 1.00 24.23 H new ATOM 0 HG3 LYS A 851 5.642 -30.154 30.603 1.00 24.23 H new ATOM 0 HD2 LYS A 851 5.753 -27.384 29.318 1.00 13.22 H new ATOM 0 HD3 LYS A 851 5.742 -28.889 28.420 1.00 13.22 H new ATOM 0 HE2 LYS A 851 3.537 -29.482 29.502 1.00 12.14 H new ATOM 0 HE3 LYS A 851 3.543 -27.930 30.315 1.00 12.14 H new ATOM 0 HZ1 LYS A 851 2.253 -27.851 28.285 1.00 11.22 H new ATOM 0 HZ2 LYS A 851 3.604 -26.830 28.156 1.00 11.22 H new ATOM 0 HZ3 LYS A 851 3.598 -28.335 27.368 1.00 11.22 H new ATOM 970 N GLN A 852 4.326 -29.880 33.942 1.00 45.21 N ATOM 971 CA GLN A 852 3.422 -30.851 34.533 1.00 15.33 C ATOM 972 C GLN A 852 3.578 -32.209 33.847 1.00 73.14 C ATOM 973 O GLN A 852 4.176 -33.127 34.407 1.00 54.43 O ATOM 974 CB GLN A 852 1.973 -30.364 34.463 1.00 72.15 C ATOM 975 CG GLN A 852 1.755 -29.155 35.375 1.00 63.04 C ATOM 976 CD GLN A 852 0.380 -28.529 35.136 1.00 13.04 C ATOM 977 OE1 GLN A 852 -0.243 -28.710 34.103 1.00 44.34 O ATOM 978 NE2 GLN A 852 -0.059 -27.785 36.148 1.00 44.11 N ATOM 0 H GLN A 852 3.916 -28.961 33.777 1.00 45.21 H new ATOM 0 HA GLN A 852 3.682 -30.966 35.585 1.00 15.33 H new ATOM 0 HB2 GLN A 852 1.724 -30.098 33.436 1.00 72.15 H new ATOM 0 HB3 GLN A 852 1.300 -31.170 34.755 1.00 72.15 H new ATOM 0 HG2 GLN A 852 1.843 -29.461 36.418 1.00 63.04 H new ATOM 0 HG3 GLN A 852 2.533 -28.413 35.194 1.00 63.04 H new ATOM 0 HE21 GLN A 852 0.513 -27.674 36.985 1.00 44.11 H new ATOM 0 HE22 GLN A 852 -0.967 -27.325 36.086 1.00 44.11 H new ATOM 987 N PHE A 853 3.030 -32.295 32.643 1.00 12.44 N ATOM 988 CA PHE A 853 3.101 -33.525 31.874 1.00 32.44 C ATOM 989 C PHE A 853 3.608 -33.257 30.456 1.00 71.30 C ATOM 990 O PHE A 853 3.415 -32.167 29.920 1.00 62.23 O ATOM 991 CB PHE A 853 1.680 -34.087 31.798 1.00 71.43 C ATOM 992 CG PHE A 853 0.681 -33.162 31.100 1.00 45.42 C ATOM 993 CD1 PHE A 853 0.037 -32.197 31.810 1.00 21.40 C ATOM 994 CD2 PHE A 853 0.438 -33.303 29.769 1.00 5.01 C ATOM 995 CE1 PHE A 853 -0.890 -31.338 31.162 1.00 25.13 C ATOM 996 CE2 PHE A 853 -0.488 -32.444 29.121 1.00 11.24 C ATOM 997 CZ PHE A 853 -1.133 -31.479 29.832 1.00 65.44 C ATOM 0 H PHE A 853 2.535 -31.532 32.182 1.00 12.44 H new ATOM 0 HA PHE A 853 3.790 -34.223 32.351 1.00 32.44 H new ATOM 0 HB2 PHE A 853 1.705 -35.041 31.271 1.00 71.43 H new ATOM 0 HB3 PHE A 853 1.326 -34.290 32.809 1.00 71.43 H new ATOM 0 HD1 PHE A 853 0.231 -32.084 32.866 1.00 21.40 H new ATOM 0 HD2 PHE A 853 0.950 -34.069 29.205 1.00 5.01 H new ATOM 0 HE1 PHE A 853 -1.402 -30.573 31.726 1.00 25.13 H new ATOM 0 HE2 PHE A 853 -0.681 -32.556 28.064 1.00 11.24 H new ATOM 0 HZ PHE A 853 -1.838 -30.825 29.340 1.00 65.44 H new ATOM 1007 N SER A 854 4.246 -34.270 29.889 1.00 60.44 N ATOM 1008 CA SER A 854 4.782 -34.158 28.543 1.00 42.32 C ATOM 1009 C SER A 854 5.338 -35.508 28.086 1.00 32.22 C ATOM 1010 O SER A 854 6.289 -36.023 28.673 1.00 54.20 O ATOM 1011 CB SER A 854 5.870 -33.085 28.472 1.00 43.45 C ATOM 1012 OG SER A 854 5.322 -31.778 28.315 1.00 64.42 O ATOM 0 H SER A 854 4.404 -35.173 30.337 1.00 60.44 H new ATOM 0 HA SER A 854 3.972 -33.862 27.876 1.00 42.32 H new ATOM 0 HB2 SER A 854 6.472 -33.119 29.380 1.00 43.45 H new ATOM 0 HB3 SER A 854 6.538 -33.301 27.638 1.00 43.45 H new ATOM 0 HG SER A 854 4.399 -31.768 28.645 1.00 64.42 H new ATOM 1018 N SER A 855 4.721 -36.044 27.043 1.00 12.41 N ATOM 1019 CA SER A 855 5.142 -37.324 26.501 1.00 72.40 C ATOM 1020 C SER A 855 6.638 -37.291 26.183 1.00 70.54 C ATOM 1021 O SER A 855 7.407 -38.090 26.715 1.00 4.34 O ATOM 1022 CB SER A 855 4.340 -37.682 25.248 1.00 62.21 C ATOM 1023 OG SER A 855 2.987 -38.006 25.554 1.00 32.45 O ATOM 0 H SER A 855 3.932 -35.615 26.559 1.00 12.41 H new ATOM 0 HA SER A 855 4.954 -38.092 27.251 1.00 72.40 H new ATOM 0 HB2 SER A 855 4.363 -36.844 24.551 1.00 62.21 H new ATOM 0 HB3 SER A 855 4.810 -38.527 24.746 1.00 62.21 H new ATOM 0 HG SER A 855 2.509 -38.227 24.728 1.00 32.45 H new ATOM 1029 N PHE A 856 7.005 -36.360 25.315 1.00 4.12 N ATOM 1030 CA PHE A 856 8.396 -36.212 24.919 1.00 33.44 C ATOM 1031 C PHE A 856 9.150 -35.306 25.894 1.00 2.02 C ATOM 1032 O PHE A 856 8.579 -34.830 26.874 1.00 74.10 O ATOM 1033 CB PHE A 856 8.400 -35.566 23.533 1.00 51.41 C ATOM 1034 CG PHE A 856 8.292 -36.565 22.380 1.00 72.34 C ATOM 1035 CD1 PHE A 856 7.359 -37.554 22.422 1.00 52.23 C ATOM 1036 CD2 PHE A 856 9.129 -36.465 21.312 1.00 31.23 C ATOM 1037 CE1 PHE A 856 7.258 -38.482 21.351 1.00 5.53 C ATOM 1038 CE2 PHE A 856 9.029 -37.393 20.242 1.00 15.10 C ATOM 1039 CZ PHE A 856 8.096 -38.381 20.284 1.00 35.40 C ATOM 0 H PHE A 856 6.364 -35.700 24.875 1.00 4.12 H new ATOM 0 HA PHE A 856 8.888 -37.185 24.915 1.00 33.44 H new ATOM 0 HB2 PHE A 856 7.570 -34.862 23.469 1.00 51.41 H new ATOM 0 HB3 PHE A 856 9.317 -34.989 23.415 1.00 51.41 H new ATOM 0 HD1 PHE A 856 6.695 -37.634 23.270 1.00 52.23 H new ATOM 0 HD2 PHE A 856 9.870 -35.680 21.278 1.00 31.23 H new ATOM 0 HE1 PHE A 856 6.517 -39.267 21.384 1.00 5.53 H new ATOM 0 HE2 PHE A 856 9.694 -37.314 19.395 1.00 15.10 H new ATOM 0 HZ PHE A 856 8.020 -39.086 19.470 1.00 35.40 H new ATOM 1049 N GLU A 857 10.423 -35.094 25.592 1.00 74.54 N ATOM 1050 CA GLU A 857 11.261 -34.254 26.429 1.00 42.41 C ATOM 1051 C GLU A 857 12.071 -33.284 25.566 1.00 60.35 C ATOM 1052 O GLU A 857 13.138 -33.637 25.064 1.00 14.52 O ATOM 1053 CB GLU A 857 12.180 -35.101 27.311 1.00 2.00 C ATOM 1054 CG GLU A 857 12.754 -36.284 26.528 1.00 14.03 C ATOM 1055 CD GLU A 857 14.062 -36.773 27.154 1.00 52.35 C ATOM 1056 OE1 GLU A 857 14.035 -37.573 28.101 1.00 43.53 O ATOM 1057 OE2 GLU A 857 15.134 -36.292 26.620 1.00 32.53 O ATOM 0 H GLU A 857 10.894 -35.490 24.779 1.00 74.54 H new ATOM 0 HA GLU A 857 10.616 -33.672 27.087 1.00 42.41 H new ATOM 0 HB2 GLU A 857 12.993 -34.484 27.693 1.00 2.00 H new ATOM 0 HB3 GLU A 857 11.625 -35.467 28.175 1.00 2.00 H new ATOM 0 HG2 GLU A 857 12.029 -37.098 26.509 1.00 14.03 H new ATOM 0 HG3 GLU A 857 12.930 -35.989 25.493 1.00 14.03 H new ATOM 1065 N LYS A 858 11.533 -32.082 25.418 1.00 24.34 N ATOM 1066 CA LYS A 858 12.193 -31.060 24.624 1.00 12.42 C ATOM 1067 C LYS A 858 13.571 -30.767 25.220 1.00 1.14 C ATOM 1068 O LYS A 858 13.806 -31.015 26.402 1.00 14.12 O ATOM 1069 CB LYS A 858 11.302 -29.822 24.498 1.00 60.11 C ATOM 1070 CG LYS A 858 11.275 -29.030 25.807 1.00 73.22 C ATOM 1071 CD LYS A 858 10.211 -29.581 26.759 1.00 52.34 C ATOM 1072 CE LYS A 858 10.848 -30.428 27.862 1.00 52.20 C ATOM 1073 NZ LYS A 858 11.266 -29.573 28.995 1.00 11.15 N ATOM 0 H LYS A 858 10.648 -31.793 25.834 1.00 24.34 H new ATOM 0 HA LYS A 858 12.355 -31.414 23.606 1.00 12.42 H new ATOM 0 HB2 LYS A 858 11.668 -29.186 23.692 1.00 60.11 H new ATOM 0 HB3 LYS A 858 10.289 -30.124 24.231 1.00 60.11 H new ATOM 0 HG2 LYS A 858 12.254 -29.076 26.284 1.00 73.22 H new ATOM 0 HG3 LYS A 858 11.072 -27.980 25.597 1.00 73.22 H new ATOM 0 HD2 LYS A 858 9.654 -28.756 27.204 1.00 52.34 H new ATOM 0 HD3 LYS A 858 9.495 -30.184 26.200 1.00 52.34 H new ATOM 0 HE2 LYS A 858 10.138 -31.179 28.208 1.00 52.20 H new ATOM 0 HE3 LYS A 858 11.710 -30.964 27.465 1.00 52.20 H new ATOM 0 HZ1 LYS A 858 11.587 -30.172 29.782 1.00 11.15 H new ATOM 0 HZ2 LYS A 858 12.044 -28.952 28.693 1.00 11.15 H new ATOM 0 HZ3 LYS A 858 10.461 -28.993 29.307 1.00 11.15 H new ATOM 1086 N ARG A 859 14.447 -30.244 24.375 1.00 1.53 N ATOM 1087 CA ARG A 859 15.796 -29.914 24.804 1.00 71.41 C ATOM 1088 C ARG A 859 16.159 -28.493 24.369 1.00 30.03 C ATOM 1089 O ARG A 859 17.301 -28.064 24.528 1.00 71.33 O ATOM 1090 CB ARG A 859 16.814 -30.895 24.219 1.00 3.10 C ATOM 1091 CG ARG A 859 18.030 -31.035 25.137 1.00 45.21 C ATOM 1092 CD ARG A 859 18.992 -32.104 24.614 1.00 33.32 C ATOM 1093 NE ARG A 859 19.372 -31.803 23.216 1.00 22.11 N ATOM 1094 CZ ARG A 859 20.170 -30.776 22.853 1.00 14.02 C ATOM 1095 NH1 ARG A 859 20.678 -29.941 23.784 1.00 22.34 N ATOM 1096 NH2 ARG A 859 20.444 -30.600 21.574 1.00 3.12 N ATOM 0 H ARG A 859 14.249 -30.040 23.395 1.00 1.53 H new ATOM 0 HA ARG A 859 15.825 -29.983 25.891 1.00 71.41 H new ATOM 0 HB2 ARG A 859 16.346 -31.869 24.078 1.00 3.10 H new ATOM 0 HB3 ARG A 859 17.134 -30.550 23.236 1.00 3.10 H new ATOM 0 HG2 ARG A 859 18.548 -30.079 25.209 1.00 45.21 H new ATOM 0 HG3 ARG A 859 17.702 -31.296 26.143 1.00 45.21 H new ATOM 0 HD2 ARG A 859 19.883 -32.142 25.241 1.00 33.32 H new ATOM 0 HD3 ARG A 859 18.522 -33.086 24.668 1.00 33.32 H new ATOM 0 HE ARG A 859 19.008 -32.409 22.481 1.00 22.11 H new ATOM 0 HH11 ARG A 859 20.460 -30.083 24.770 1.00 22.34 H new ATOM 0 HH12 ARG A 859 21.280 -29.168 23.501 1.00 22.34 H new ATOM 0 HH21 ARG A 859 20.055 -31.235 20.877 1.00 3.12 H new ATOM 0 HH22 ARG A 859 21.045 -29.829 21.283 1.00 3.12 H new ATOM 1109 N ALA A 860 15.166 -27.801 23.830 1.00 71.50 N ATOM 1110 CA ALA A 860 15.366 -26.437 23.371 1.00 24.34 C ATOM 1111 C ALA A 860 14.022 -25.845 22.943 1.00 63.35 C ATOM 1112 O ALA A 860 13.391 -26.340 22.010 1.00 45.14 O ATOM 1113 CB ALA A 860 16.396 -26.425 22.240 1.00 25.12 C ATOM 0 H ALA A 860 14.220 -28.160 23.701 1.00 71.50 H new ATOM 0 HA ALA A 860 15.758 -25.815 24.175 1.00 24.34 H new ATOM 0 HB1 ALA A 860 16.546 -25.402 21.895 1.00 25.12 H new ATOM 0 HB2 ALA A 860 17.341 -26.828 22.604 1.00 25.12 H new ATOM 0 HB3 ALA A 860 16.036 -27.037 21.413 1.00 25.12 H new ATOM 1119 N LYS A 861 13.624 -24.795 23.644 1.00 11.53 N ATOM 1120 CA LYS A 861 12.366 -24.130 23.348 1.00 42.21 C ATOM 1121 C LYS A 861 12.462 -23.453 21.979 1.00 22.20 C ATOM 1122 O LYS A 861 13.554 -23.298 21.435 1.00 43.43 O ATOM 1123 CB LYS A 861 11.985 -23.175 24.481 1.00 41.43 C ATOM 1124 CG LYS A 861 11.199 -23.904 25.572 1.00 22.31 C ATOM 1125 CD LYS A 861 12.078 -24.933 26.286 1.00 62.44 C ATOM 1126 CE LYS A 861 11.335 -25.566 27.464 1.00 23.00 C ATOM 1127 NZ LYS A 861 12.280 -26.289 28.344 1.00 20.23 N ATOM 0 H LYS A 861 14.150 -24.387 24.417 1.00 11.53 H new ATOM 0 HA LYS A 861 11.556 -24.857 23.289 1.00 42.21 H new ATOM 0 HB2 LYS A 861 12.886 -22.735 24.909 1.00 41.43 H new ATOM 0 HB3 LYS A 861 11.387 -22.354 24.084 1.00 41.43 H new ATOM 0 HG2 LYS A 861 10.818 -23.182 26.294 1.00 22.31 H new ATOM 0 HG3 LYS A 861 10.335 -24.401 25.132 1.00 22.31 H new ATOM 0 HD2 LYS A 861 12.380 -25.709 25.583 1.00 62.44 H new ATOM 0 HD3 LYS A 861 12.990 -24.453 26.642 1.00 62.44 H new ATOM 0 HE2 LYS A 861 10.818 -24.793 28.033 1.00 23.00 H new ATOM 0 HE3 LYS A 861 10.574 -26.253 27.095 1.00 23.00 H new ATOM 0 HZ1 LYS A 861 11.754 -26.953 28.947 1.00 20.23 H new ATOM 0 HZ2 LYS A 861 12.962 -26.816 27.762 1.00 20.23 H new ATOM 0 HZ3 LYS A 861 12.789 -25.607 28.942 1.00 20.23 H new ATOM 1140 N ILE A 862 11.304 -23.069 21.462 1.00 65.11 N ATOM 1141 CA ILE A 862 11.244 -22.413 20.167 1.00 42.31 C ATOM 1142 C ILE A 862 10.467 -21.102 20.300 1.00 11.42 C ATOM 1143 O ILE A 862 9.554 -20.997 21.118 1.00 21.41 O ATOM 1144 CB ILE A 862 10.673 -23.362 19.111 1.00 2.34 C ATOM 1145 CG1 ILE A 862 9.145 -23.403 19.180 1.00 2.40 C ATOM 1146 CG2 ILE A 862 11.290 -24.756 19.237 1.00 61.24 C ATOM 1147 CD1 ILE A 862 8.525 -22.430 18.175 1.00 71.01 C ATOM 0 H ILE A 862 10.400 -23.200 21.916 1.00 65.11 H new ATOM 0 HA ILE A 862 12.246 -22.157 19.823 1.00 42.31 H new ATOM 0 HB ILE A 862 10.941 -22.979 18.126 1.00 2.34 H new ATOM 0 HG12 ILE A 862 8.795 -24.415 18.975 1.00 2.40 H new ATOM 0 HG13 ILE A 862 8.816 -23.150 20.188 1.00 2.40 H new ATOM 0 HG21 ILE A 862 10.867 -25.411 18.475 1.00 61.24 H new ATOM 0 HG22 ILE A 862 12.369 -24.690 19.100 1.00 61.24 H new ATOM 0 HG23 ILE A 862 11.074 -25.162 20.225 1.00 61.24 H new ATOM 0 HD11 ILE A 862 7.438 -22.479 18.244 1.00 71.01 H new ATOM 0 HD12 ILE A 862 8.858 -21.416 18.397 1.00 71.01 H new ATOM 0 HD13 ILE A 862 8.837 -22.701 17.166 1.00 71.01 H new ATOM 1159 N PHE A 863 10.857 -20.134 19.484 1.00 42.21 N ATOM 1160 CA PHE A 863 10.208 -18.834 19.500 1.00 4.24 C ATOM 1161 C PHE A 863 10.235 -18.190 18.113 1.00 45.13 C ATOM 1162 O PHE A 863 11.118 -18.481 17.306 1.00 34.04 O ATOM 1163 CB PHE A 863 10.995 -17.954 20.473 1.00 3.54 C ATOM 1164 CG PHE A 863 11.310 -18.630 21.809 1.00 25.20 C ATOM 1165 CD1 PHE A 863 10.380 -18.643 22.801 1.00 61.21 C ATOM 1166 CD2 PHE A 863 12.521 -19.218 22.004 1.00 30.53 C ATOM 1167 CE1 PHE A 863 10.673 -19.271 24.040 1.00 34.15 C ATOM 1168 CE2 PHE A 863 12.814 -19.846 23.244 1.00 75.31 C ATOM 1169 CZ PHE A 863 11.883 -19.859 24.236 1.00 61.42 C ATOM 0 H PHE A 863 11.615 -20.224 18.807 1.00 42.21 H new ATOM 0 HA PHE A 863 9.166 -18.942 19.800 1.00 4.24 H new ATOM 0 HB2 PHE A 863 11.930 -17.654 20.000 1.00 3.54 H new ATOM 0 HB3 PHE A 863 10.427 -17.043 20.663 1.00 3.54 H new ATOM 0 HD1 PHE A 863 9.419 -18.176 22.646 1.00 61.21 H new ATOM 0 HD2 PHE A 863 13.260 -19.207 21.216 1.00 30.53 H new ATOM 0 HE1 PHE A 863 9.934 -19.282 24.828 1.00 34.15 H new ATOM 0 HE2 PHE A 863 13.775 -20.313 23.399 1.00 75.31 H new ATOM 0 HZ PHE A 863 12.105 -20.336 25.179 1.00 61.42 H new ATOM 1179 N CYS A 864 9.258 -17.327 17.877 1.00 44.32 N ATOM 1180 CA CYS A 864 9.159 -16.639 16.601 1.00 61.25 C ATOM 1181 C CYS A 864 10.416 -15.787 16.415 1.00 62.33 C ATOM 1182 O CYS A 864 10.777 -15.007 17.295 1.00 64.25 O ATOM 1183 CB CYS A 864 7.883 -15.801 16.508 1.00 54.24 C ATOM 1184 SG CYS A 864 7.393 -15.598 14.756 1.00 61.41 S ATOM 0 H CYS A 864 8.528 -17.088 18.548 1.00 44.32 H new ATOM 0 HA CYS A 864 9.095 -17.370 15.795 1.00 61.25 H new ATOM 0 HB2 CYS A 864 7.080 -16.283 17.065 1.00 54.24 H new ATOM 0 HB3 CYS A 864 8.045 -14.824 16.964 1.00 54.24 H new ATOM 0 HG CYS A 864 6.307 -14.887 14.689 1.00 61.41 H new ATOM 1190 N ALA A 865 11.048 -15.965 15.264 1.00 23.40 N ATOM 1191 CA ALA A 865 12.258 -15.223 14.952 1.00 55.34 C ATOM 1192 C ALA A 865 11.907 -13.747 14.752 1.00 2.24 C ATOM 1193 O ALA A 865 12.762 -12.876 14.907 1.00 51.12 O ATOM 1194 CB ALA A 865 12.928 -15.834 13.720 1.00 64.11 C ATOM 0 H ALA A 865 10.745 -16.612 14.536 1.00 23.40 H new ATOM 0 HA ALA A 865 12.970 -15.285 15.775 1.00 55.34 H new ATOM 0 HB1 ALA A 865 13.836 -15.278 13.486 1.00 64.11 H new ATOM 0 HB2 ALA A 865 13.182 -16.874 13.923 1.00 64.11 H new ATOM 0 HB3 ALA A 865 12.244 -15.786 12.873 1.00 64.11 H new ATOM 1200 N ARG A 866 10.648 -13.511 14.412 1.00 25.04 N ATOM 1201 CA ARG A 866 10.175 -12.155 14.190 1.00 35.55 C ATOM 1202 C ARG A 866 10.527 -11.268 15.386 1.00 54.32 C ATOM 1203 O ARG A 866 11.155 -11.725 16.339 1.00 10.23 O ATOM 1204 CB ARG A 866 8.660 -12.130 13.974 1.00 62.14 C ATOM 1205 CG ARG A 866 8.274 -12.906 12.713 1.00 51.34 C ATOM 1206 CD ARG A 866 8.490 -12.056 11.459 1.00 62.14 C ATOM 1207 NE ARG A 866 7.560 -10.905 11.460 1.00 35.41 N ATOM 1208 CZ ARG A 866 7.343 -10.105 10.394 1.00 22.54 C ATOM 1209 NH1 ARG A 866 7.991 -10.325 9.230 1.00 34.13 N ATOM 1210 NH2 ARG A 866 6.489 -9.105 10.508 1.00 63.34 N ATOM 0 H ARG A 866 9.941 -14.236 14.285 1.00 25.04 H new ATOM 0 HA ARG A 866 10.665 -11.774 13.294 1.00 35.55 H new ATOM 0 HB2 ARG A 866 8.158 -12.563 14.840 1.00 62.14 H new ATOM 0 HB3 ARG A 866 8.318 -11.099 13.890 1.00 62.14 H new ATOM 0 HG2 ARG A 866 8.869 -13.817 12.646 1.00 51.34 H new ATOM 0 HG3 ARG A 866 7.229 -13.211 12.775 1.00 51.34 H new ATOM 0 HD2 ARG A 866 9.520 -11.701 11.423 1.00 62.14 H new ATOM 0 HD3 ARG A 866 8.330 -12.662 10.567 1.00 62.14 H new ATOM 0 HE ARG A 866 7.051 -10.703 12.320 1.00 35.41 H new ATOM 0 HH11 ARG A 866 8.650 -11.100 9.152 1.00 34.13 H new ATOM 0 HH12 ARG A 866 7.822 -9.716 8.429 1.00 34.13 H new ATOM 0 HH21 ARG A 866 6.005 -8.946 11.392 1.00 63.34 H new ATOM 0 HH22 ARG A 866 6.313 -8.491 9.713 1.00 63.34 H new ATOM 1223 N GLN A 867 10.106 -10.014 15.296 1.00 63.55 N ATOM 1224 CA GLN A 867 10.369 -9.059 16.358 1.00 44.53 C ATOM 1225 C GLN A 867 10.206 -9.726 17.725 1.00 44.12 C ATOM 1226 O GLN A 867 11.031 -9.532 18.616 1.00 24.34 O ATOM 1227 CB GLN A 867 9.459 -7.835 16.233 1.00 72.54 C ATOM 1228 CG GLN A 867 9.885 -6.733 17.204 1.00 44.44 C ATOM 1229 CD GLN A 867 9.179 -6.886 18.552 1.00 22.22 C ATOM 1230 OE1 GLN A 867 8.264 -7.676 18.717 1.00 64.54 O ATOM 1231 NE2 GLN A 867 9.654 -6.089 19.505 1.00 15.31 N ATOM 0 H GLN A 867 9.585 -9.638 14.504 1.00 63.55 H new ATOM 0 HA GLN A 867 11.399 -8.716 16.264 1.00 44.53 H new ATOM 0 HB2 GLN A 867 9.491 -7.457 15.211 1.00 72.54 H new ATOM 0 HB3 GLN A 867 8.427 -8.123 16.434 1.00 72.54 H new ATOM 0 HG2 GLN A 867 10.965 -6.769 17.349 1.00 44.44 H new ATOM 0 HG3 GLN A 867 9.653 -5.757 16.777 1.00 44.44 H new ATOM 0 HE21 GLN A 867 10.422 -5.450 19.300 1.00 15.31 H new ATOM 0 HE22 GLN A 867 9.250 -6.116 20.441 1.00 15.31 H new ATOM 1240 N ASN A 868 9.137 -10.498 17.847 1.00 13.00 N ATOM 1241 CA ASN A 868 8.855 -11.195 19.090 1.00 31.14 C ATOM 1242 C ASN A 868 9.718 -12.456 19.170 1.00 11.00 C ATOM 1243 O ASN A 868 9.419 -13.459 18.524 1.00 34.12 O ATOM 1244 CB ASN A 868 7.387 -11.621 19.163 1.00 63.35 C ATOM 1245 CG ASN A 868 6.464 -10.402 19.203 1.00 34.30 C ATOM 1246 OD1 ASN A 868 6.335 -9.722 20.208 1.00 54.15 O ATOM 1247 ND2 ASN A 868 5.830 -10.165 18.058 1.00 61.41 N ATOM 0 H ASN A 868 8.455 -10.656 17.105 1.00 13.00 H new ATOM 0 HA ASN A 868 9.074 -10.516 19.914 1.00 31.14 H new ATOM 0 HB2 ASN A 868 7.141 -12.240 18.300 1.00 63.35 H new ATOM 0 HB3 ASN A 868 7.226 -12.233 20.051 1.00 63.35 H new ATOM 0 HD21 ASN A 868 5.190 -9.374 17.984 1.00 61.41 H new ATOM 0 HD22 ASN A 868 5.984 -10.774 17.254 1.00 61.41 H new ATOM 1254 N CYS A 869 10.772 -12.364 19.968 1.00 53.33 N ATOM 1255 CA CYS A 869 11.680 -13.485 20.140 1.00 2.41 C ATOM 1256 C CYS A 869 11.252 -14.263 21.385 1.00 34.15 C ATOM 1257 O CYS A 869 11.620 -15.425 21.553 1.00 53.22 O ATOM 1258 CB CYS A 869 13.137 -13.024 20.228 1.00 14.11 C ATOM 1259 SG CYS A 869 13.832 -12.822 18.547 1.00 15.44 S ATOM 0 H CYS A 869 11.017 -11.530 20.502 1.00 53.33 H new ATOM 0 HA CYS A 869 11.626 -14.138 19.269 1.00 2.41 H new ATOM 0 HB2 CYS A 869 13.196 -12.081 20.771 1.00 14.11 H new ATOM 0 HB3 CYS A 869 13.724 -13.752 20.788 1.00 14.11 H new ATOM 0 HG CYS A 869 12.900 -12.412 17.739 1.00 15.44 H new ATOM 1265 N SER A 870 10.480 -13.592 22.227 1.00 13.24 N ATOM 1266 CA SER A 870 9.997 -14.206 23.453 1.00 61.35 C ATOM 1267 C SER A 870 8.604 -14.799 23.227 1.00 4.45 C ATOM 1268 O SER A 870 7.825 -14.936 24.169 1.00 52.01 O ATOM 1269 CB SER A 870 9.965 -13.195 24.600 1.00 14.01 C ATOM 1270 OG SER A 870 9.138 -12.074 24.300 1.00 10.42 O ATOM 0 H SER A 870 10.177 -12.629 22.085 1.00 13.24 H new ATOM 0 HA SER A 870 10.684 -15.005 23.730 1.00 61.35 H new ATOM 0 HB2 SER A 870 9.600 -13.683 25.504 1.00 14.01 H new ATOM 0 HB3 SER A 870 10.978 -12.852 24.810 1.00 14.01 H new ATOM 0 HG SER A 870 9.142 -11.452 25.058 1.00 10.42 H new ATOM 1276 N HIS A 871 8.334 -15.134 21.974 1.00 3.54 N ATOM 1277 CA HIS A 871 7.049 -15.708 21.614 1.00 43.03 C ATOM 1278 C HIS A 871 7.234 -17.176 21.226 1.00 23.40 C ATOM 1279 O HIS A 871 7.603 -17.482 20.093 1.00 42.50 O ATOM 1280 CB HIS A 871 6.376 -14.885 20.514 1.00 52.31 C ATOM 1281 CG HIS A 871 5.489 -13.777 21.032 1.00 71.54 C ATOM 1282 ND1 HIS A 871 4.991 -12.774 20.219 1.00 1.20 N ATOM 1283 CD2 HIS A 871 5.016 -13.527 22.286 1.00 32.52 C ATOM 1284 CE1 HIS A 871 4.254 -11.961 20.962 1.00 72.52 C ATOM 1285 NE2 HIS A 871 4.271 -12.430 22.243 1.00 52.13 N ATOM 0 H HIS A 871 8.983 -15.019 21.196 1.00 3.54 H new ATOM 0 HA HIS A 871 6.379 -15.676 22.473 1.00 43.03 H new ATOM 0 HB2 HIS A 871 7.146 -14.452 19.876 1.00 52.31 H new ATOM 0 HB3 HIS A 871 5.781 -15.551 19.889 1.00 52.31 H new ATOM 0 HD2 HIS A 871 5.214 -14.121 23.166 1.00 32.52 H new ATOM 0 HE1 HIS A 871 3.732 -11.082 20.615 1.00 72.52 H new ATOM 0 HE2 HIS A 871 3.790 -12.007 23.037 1.00 52.13 H new ATOM 1293 N ASP A 872 6.969 -18.047 22.189 1.00 64.11 N ATOM 1294 CA ASP A 872 7.102 -19.476 21.963 1.00 71.43 C ATOM 1295 C ASP A 872 5.748 -20.049 21.538 1.00 0.14 C ATOM 1296 O ASP A 872 4.737 -19.817 22.200 1.00 23.30 O ATOM 1297 CB ASP A 872 7.541 -20.197 23.239 1.00 63.45 C ATOM 1298 CG ASP A 872 6.411 -20.532 24.214 1.00 21.11 C ATOM 1299 OD1 ASP A 872 5.917 -21.669 24.254 1.00 44.23 O ATOM 1300 OD2 ASP A 872 6.033 -19.555 24.966 1.00 54.51 O ATOM 0 H ASP A 872 6.663 -17.790 23.127 1.00 64.11 H new ATOM 0 HA ASP A 872 7.853 -19.626 21.187 1.00 71.43 H new ATOM 0 HB2 ASP A 872 8.046 -21.122 22.960 1.00 63.45 H new ATOM 0 HB3 ASP A 872 8.274 -19.577 23.755 1.00 63.45 H new ATOM 1306 N TRP A 873 5.772 -20.786 20.437 1.00 12.45 N ATOM 1307 CA TRP A 873 4.559 -21.393 19.917 1.00 32.01 C ATOM 1308 C TRP A 873 4.765 -22.909 19.884 1.00 5.33 C ATOM 1309 O TRP A 873 3.884 -23.650 19.451 1.00 5.30 O ATOM 1310 CB TRP A 873 4.196 -20.809 18.550 1.00 23.41 C ATOM 1311 CG TRP A 873 5.406 -20.399 17.708 1.00 70.41 C ATOM 1312 CD1 TRP A 873 6.427 -19.606 18.061 1.00 33.32 C ATOM 1313 CD2 TRP A 873 5.681 -20.797 16.348 1.00 5.01 C ATOM 1314 NE1 TRP A 873 7.336 -19.464 17.033 1.00 22.00 N ATOM 1315 CE2 TRP A 873 6.869 -20.211 15.958 1.00 34.32 C ATOM 1316 CE3 TRP A 873 4.952 -21.624 15.476 1.00 33.45 C ATOM 1317 CZ2 TRP A 873 7.431 -20.390 14.689 1.00 51.14 C ATOM 1318 CZ3 TRP A 873 5.527 -21.793 14.211 1.00 1.23 C ATOM 1319 CH2 TRP A 873 6.721 -21.210 13.803 1.00 22.03 C ATOM 0 H TRP A 873 6.612 -20.976 19.891 1.00 12.45 H new ATOM 0 HA TRP A 873 3.710 -21.171 20.563 1.00 32.01 H new ATOM 0 HB2 TRP A 873 3.613 -21.544 17.996 1.00 23.41 H new ATOM 0 HB3 TRP A 873 3.556 -19.939 18.696 1.00 23.41 H new ATOM 0 HD1 TRP A 873 6.526 -19.137 19.029 1.00 33.32 H new ATOM 0 HE1 TRP A 873 8.193 -18.912 17.057 1.00 22.00 H new ATOM 0 HE3 TRP A 873 4.021 -22.092 15.760 1.00 33.45 H new ATOM 0 HZ2 TRP A 873 8.362 -19.921 14.408 1.00 51.14 H new ATOM 0 HZ3 TRP A 873 5.006 -22.420 13.502 1.00 1.23 H new ATOM 0 HH2 TRP A 873 7.099 -21.389 12.807 1.00 22.03 H new ATOM 1330 N GLY A 874 5.935 -23.324 20.348 1.00 32.41 N ATOM 1331 CA GLY A 874 6.268 -24.738 20.377 1.00 25.33 C ATOM 1332 C GLY A 874 7.580 -24.977 21.128 1.00 2.21 C ATOM 1333 O GLY A 874 7.986 -24.158 21.951 1.00 1.13 O ATOM 0 H GLY A 874 6.663 -22.706 20.706 1.00 32.41 H new ATOM 0 HA2 GLY A 874 5.463 -25.295 20.857 1.00 25.33 H new ATOM 0 HA3 GLY A 874 6.354 -25.116 19.358 1.00 25.33 H new ATOM 1337 N ILE A 875 8.207 -26.102 20.817 1.00 13.01 N ATOM 1338 CA ILE A 875 9.464 -26.459 21.452 1.00 2.50 C ATOM 1339 C ILE A 875 10.320 -27.257 20.467 1.00 72.05 C ATOM 1340 O ILE A 875 9.880 -27.555 19.357 1.00 31.42 O ATOM 1341 CB ILE A 875 9.210 -27.185 22.774 1.00 14.14 C ATOM 1342 CG1 ILE A 875 7.981 -28.092 22.674 1.00 2.43 C ATOM 1343 CG2 ILE A 875 9.096 -26.192 23.933 1.00 41.45 C ATOM 1344 CD1 ILE A 875 8.238 -29.259 21.719 1.00 12.01 C ATOM 0 H ILE A 875 7.868 -26.778 20.133 1.00 13.01 H new ATOM 0 HA ILE A 875 10.027 -25.562 21.711 1.00 2.50 H new ATOM 0 HB ILE A 875 10.067 -27.825 22.982 1.00 14.14 H new ATOM 0 HG12 ILE A 875 7.726 -28.475 23.662 1.00 2.43 H new ATOM 0 HG13 ILE A 875 7.125 -27.514 22.326 1.00 2.43 H new ATOM 0 HG21 ILE A 875 8.915 -26.735 24.861 1.00 41.45 H new ATOM 0 HG22 ILE A 875 10.023 -25.625 24.019 1.00 41.45 H new ATOM 0 HG23 ILE A 875 8.268 -25.508 23.746 1.00 41.45 H new ATOM 0 HD11 ILE A 875 7.349 -29.888 21.666 1.00 12.01 H new ATOM 0 HD12 ILE A 875 8.469 -28.873 20.726 1.00 12.01 H new ATOM 0 HD13 ILE A 875 9.079 -29.849 22.083 1.00 12.01 H new ATOM 1356 N HIS A 876 11.527 -27.580 20.907 1.00 33.31 N ATOM 1357 CA HIS A 876 12.448 -28.338 20.078 1.00 71.44 C ATOM 1358 C HIS A 876 12.861 -29.618 20.807 1.00 30.31 C ATOM 1359 O HIS A 876 13.659 -29.574 21.742 1.00 64.43 O ATOM 1360 CB HIS A 876 13.644 -27.477 19.668 1.00 62.34 C ATOM 1361 CG HIS A 876 14.084 -27.678 18.237 1.00 61.50 C ATOM 1362 ND1 HIS A 876 14.650 -28.858 17.786 1.00 45.13 N ATOM 1363 CD2 HIS A 876 14.034 -26.840 17.163 1.00 50.53 C ATOM 1364 CE1 HIS A 876 14.926 -28.723 16.497 1.00 72.23 C ATOM 1365 NE2 HIS A 876 14.543 -27.471 16.113 1.00 65.53 N ATOM 0 H HIS A 876 11.889 -27.330 21.828 1.00 33.31 H new ATOM 0 HA HIS A 876 11.952 -28.632 19.153 1.00 71.44 H new ATOM 0 HB2 HIS A 876 13.390 -26.427 19.815 1.00 62.34 H new ATOM 0 HB3 HIS A 876 14.482 -27.698 20.329 1.00 62.34 H new ATOM 0 HD1 HIS A 876 14.825 -29.690 18.350 1.00 45.13 H new ATOM 0 HD2 HIS A 876 13.646 -25.832 17.166 1.00 50.53 H new ATOM 0 HE1 HIS A 876 15.375 -29.472 15.862 1.00 72.23 H new ATOM 1373 N VAL A 877 12.298 -30.728 20.352 1.00 23.22 N ATOM 1374 CA VAL A 877 12.598 -32.018 20.950 1.00 70.43 C ATOM 1375 C VAL A 877 13.438 -32.845 19.974 1.00 4.41 C ATOM 1376 O VAL A 877 13.774 -32.376 18.887 1.00 30.14 O ATOM 1377 CB VAL A 877 11.301 -32.718 21.363 1.00 43.25 C ATOM 1378 CG1 VAL A 877 10.270 -31.707 21.867 1.00 12.23 C ATOM 1379 CG2 VAL A 877 10.736 -33.549 20.209 1.00 33.13 C ATOM 0 H VAL A 877 11.636 -30.761 19.577 1.00 23.22 H new ATOM 0 HA VAL A 877 13.187 -31.890 21.858 1.00 70.43 H new ATOM 0 HB VAL A 877 11.532 -33.398 22.183 1.00 43.25 H new ATOM 0 HG11 VAL A 877 9.358 -32.230 22.154 1.00 12.23 H new ATOM 0 HG12 VAL A 877 10.672 -31.177 22.731 1.00 12.23 H new ATOM 0 HG13 VAL A 877 10.045 -30.992 21.076 1.00 12.23 H new ATOM 0 HG21 VAL A 877 9.815 -34.036 20.528 1.00 33.13 H new ATOM 0 HG22 VAL A 877 10.527 -32.898 19.360 1.00 33.13 H new ATOM 0 HG23 VAL A 877 11.463 -34.306 19.915 1.00 33.13 H new ATOM 1389 N LYS A 878 13.754 -34.060 20.397 1.00 3.21 N ATOM 1390 CA LYS A 878 14.549 -34.956 19.574 1.00 1.43 C ATOM 1391 C LYS A 878 13.851 -36.314 19.486 1.00 21.34 C ATOM 1392 O LYS A 878 13.206 -36.748 20.440 1.00 41.41 O ATOM 1393 CB LYS A 878 15.984 -35.034 20.100 1.00 71.14 C ATOM 1394 CG LYS A 878 16.646 -36.351 19.691 1.00 62.42 C ATOM 1395 CD LYS A 878 18.149 -36.321 19.975 1.00 2.13 C ATOM 1396 CE LYS A 878 18.707 -37.737 20.131 1.00 74.31 C ATOM 1397 NZ LYS A 878 20.095 -37.695 20.643 1.00 54.31 N ATOM 0 H LYS A 878 13.474 -34.445 21.299 1.00 3.21 H new ATOM 0 HA LYS A 878 14.627 -34.571 18.557 1.00 1.43 H new ATOM 0 HB2 LYS A 878 16.563 -34.196 19.713 1.00 71.14 H new ATOM 0 HB3 LYS A 878 15.982 -34.945 21.186 1.00 71.14 H new ATOM 0 HG2 LYS A 878 16.186 -37.177 20.234 1.00 62.42 H new ATOM 0 HG3 LYS A 878 16.476 -36.533 18.630 1.00 62.42 H new ATOM 0 HD2 LYS A 878 18.666 -35.810 19.163 1.00 2.13 H new ATOM 0 HD3 LYS A 878 18.340 -35.749 20.883 1.00 2.13 H new ATOM 0 HE2 LYS A 878 18.079 -38.308 20.814 1.00 74.31 H new ATOM 0 HE3 LYS A 878 18.683 -38.251 19.170 1.00 74.31 H new ATOM 0 HZ1 LYS A 878 20.458 -38.665 20.743 1.00 54.31 H new ATOM 0 HZ2 LYS A 878 20.695 -37.168 19.977 1.00 54.31 H new ATOM 0 HZ3 LYS A 878 20.109 -37.223 21.570 1.00 54.31 H new ATOM 1410 N TYR A 879 14.004 -36.949 18.333 1.00 11.34 N ATOM 1411 CA TYR A 879 13.396 -38.249 18.109 1.00 64.45 C ATOM 1412 C TYR A 879 14.433 -39.261 17.616 1.00 61.02 C ATOM 1413 O TYR A 879 15.467 -38.880 17.069 1.00 11.42 O ATOM 1414 CB TYR A 879 12.346 -38.041 17.016 1.00 14.23 C ATOM 1415 CG TYR A 879 11.278 -39.135 16.963 1.00 33.10 C ATOM 1416 CD1 TYR A 879 10.695 -39.588 18.129 1.00 21.24 C ATOM 1417 CD2 TYR A 879 10.897 -39.669 15.749 1.00 70.31 C ATOM 1418 CE1 TYR A 879 9.690 -40.618 18.079 1.00 20.13 C ATOM 1419 CE2 TYR A 879 9.892 -40.699 15.699 1.00 71.32 C ATOM 1420 CZ TYR A 879 9.338 -41.123 16.866 1.00 10.25 C ATOM 1421 OH TYR A 879 8.389 -42.096 16.819 1.00 13.42 O ATOM 0 H TYR A 879 14.540 -36.587 17.544 1.00 11.34 H new ATOM 0 HA TYR A 879 12.967 -38.636 19.033 1.00 64.45 H new ATOM 0 HB2 TYR A 879 11.858 -37.079 17.173 1.00 14.23 H new ATOM 0 HB3 TYR A 879 12.848 -37.990 16.050 1.00 14.23 H new ATOM 0 HD1 TYR A 879 10.993 -39.170 19.079 1.00 21.24 H new ATOM 0 HD2 TYR A 879 11.353 -39.314 14.836 1.00 70.31 H new ATOM 0 HE1 TYR A 879 9.226 -40.981 18.984 1.00 20.13 H new ATOM 0 HE2 TYR A 879 9.585 -41.125 14.755 1.00 71.32 H new ATOM 0 HH TYR A 879 8.238 -42.361 15.888 1.00 13.42 H new ATOM 1431 N LYS A 880 14.120 -40.531 17.827 1.00 64.11 N ATOM 1432 CA LYS A 880 15.012 -41.600 17.411 1.00 20.40 C ATOM 1433 C LYS A 880 15.470 -41.347 15.973 1.00 1.45 C ATOM 1434 O LYS A 880 16.565 -41.752 15.586 1.00 33.32 O ATOM 1435 CB LYS A 880 14.345 -42.963 17.613 1.00 43.34 C ATOM 1436 CG LYS A 880 13.981 -43.183 19.082 1.00 15.42 C ATOM 1437 CD LYS A 880 15.170 -42.876 19.994 1.00 23.41 C ATOM 1438 CE LYS A 880 14.952 -43.455 21.393 1.00 33.34 C ATOM 1439 NZ LYS A 880 14.801 -44.926 21.328 1.00 64.30 N ATOM 0 H LYS A 880 13.261 -40.844 18.280 1.00 64.11 H new ATOM 0 HA LYS A 880 15.907 -41.613 18.033 1.00 20.40 H new ATOM 0 HB2 LYS A 880 13.447 -43.027 16.999 1.00 43.34 H new ATOM 0 HB3 LYS A 880 15.017 -43.754 17.279 1.00 43.34 H new ATOM 0 HG2 LYS A 880 13.138 -42.546 19.351 1.00 15.42 H new ATOM 0 HG3 LYS A 880 13.661 -44.214 19.230 1.00 15.42 H new ATOM 0 HD2 LYS A 880 16.081 -43.292 19.562 1.00 23.41 H new ATOM 0 HD3 LYS A 880 15.312 -41.797 20.061 1.00 23.41 H new ATOM 0 HE2 LYS A 880 15.795 -43.198 22.035 1.00 33.34 H new ATOM 0 HE3 LYS A 880 14.063 -43.012 21.842 1.00 33.34 H new ATOM 0 HZ1 LYS A 880 15.090 -45.345 22.235 1.00 64.30 H new ATOM 0 HZ2 LYS A 880 13.807 -45.165 21.137 1.00 64.30 H new ATOM 0 HZ3 LYS A 880 15.400 -45.303 20.566 1.00 64.30 H new ATOM 1452 N THR A 881 14.609 -40.677 15.222 1.00 42.44 N ATOM 1453 CA THR A 881 14.912 -40.364 13.835 1.00 14.22 C ATOM 1454 C THR A 881 15.830 -39.143 13.752 1.00 14.31 C ATOM 1455 O THR A 881 17.015 -39.272 13.449 1.00 12.03 O ATOM 1456 CB THR A 881 13.587 -40.180 13.092 1.00 10.22 C ATOM 1457 OG1 THR A 881 12.770 -41.245 13.571 1.00 52.35 O ATOM 1458 CG2 THR A 881 13.714 -40.453 11.592 1.00 2.30 C ATOM 0 H THR A 881 13.702 -40.342 15.547 1.00 42.44 H new ATOM 0 HA THR A 881 15.460 -41.176 13.357 1.00 14.22 H new ATOM 0 HB THR A 881 13.222 -39.164 13.246 1.00 10.22 H new ATOM 0 HG1 THR A 881 12.171 -40.909 14.270 1.00 52.35 H new ATOM 0 HG21 THR A 881 12.746 -40.308 11.113 1.00 2.30 H new ATOM 0 HG22 THR A 881 14.440 -39.766 11.157 1.00 2.30 H new ATOM 0 HG23 THR A 881 14.046 -41.479 11.436 1.00 2.30 H new ATOM 1466 N PHE A 882 15.247 -37.985 14.026 1.00 2.33 N ATOM 1467 CA PHE A 882 15.998 -36.741 13.986 1.00 30.34 C ATOM 1468 C PHE A 882 15.417 -35.718 14.965 1.00 23.50 C ATOM 1469 O PHE A 882 14.358 -35.944 15.549 1.00 64.22 O ATOM 1470 CB PHE A 882 15.879 -36.192 12.563 1.00 31.53 C ATOM 1471 CG PHE A 882 16.924 -36.747 11.593 1.00 73.41 C ATOM 1472 CD1 PHE A 882 18.132 -36.135 11.471 1.00 12.32 C ATOM 1473 CD2 PHE A 882 16.644 -37.853 10.852 1.00 23.12 C ATOM 1474 CE1 PHE A 882 19.101 -36.650 10.571 1.00 44.44 C ATOM 1475 CE2 PHE A 882 17.614 -38.368 9.952 1.00 70.05 C ATOM 1476 CZ PHE A 882 18.822 -37.755 9.830 1.00 61.32 C ATOM 0 H PHE A 882 14.264 -37.882 14.277 1.00 2.33 H new ATOM 0 HA PHE A 882 17.035 -36.924 14.266 1.00 30.34 H new ATOM 0 HB2 PHE A 882 14.885 -36.419 12.179 1.00 31.53 H new ATOM 0 HB3 PHE A 882 15.968 -35.106 12.595 1.00 31.53 H new ATOM 0 HD1 PHE A 882 18.354 -35.257 12.059 1.00 12.32 H new ATOM 0 HD2 PHE A 882 15.684 -38.339 10.948 1.00 23.12 H new ATOM 0 HE1 PHE A 882 20.061 -36.164 10.475 1.00 44.44 H new ATOM 0 HE2 PHE A 882 17.393 -39.247 9.364 1.00 70.05 H new ATOM 0 HZ PHE A 882 19.559 -38.146 9.145 1.00 61.32 H new ATOM 1486 N GLU A 883 16.136 -34.616 15.114 1.00 1.42 N ATOM 1487 CA GLU A 883 15.706 -33.557 16.012 1.00 34.30 C ATOM 1488 C GLU A 883 15.095 -32.402 15.216 1.00 4.34 C ATOM 1489 O GLU A 883 15.723 -31.876 14.299 1.00 41.25 O ATOM 1490 CB GLU A 883 16.866 -33.071 16.883 1.00 72.12 C ATOM 1491 CG GLU A 883 17.867 -34.199 17.142 1.00 51.21 C ATOM 1492 CD GLU A 883 19.102 -33.677 17.879 1.00 41.24 C ATOM 1493 OE1 GLU A 883 18.986 -32.774 18.721 1.00 42.13 O ATOM 1494 OE2 GLU A 883 20.213 -34.244 17.550 1.00 21.23 O ATOM 0 H GLU A 883 17.014 -34.433 14.628 1.00 1.42 H new ATOM 0 HA GLU A 883 14.941 -33.959 16.676 1.00 34.30 H new ATOM 0 HB2 GLU A 883 17.370 -32.238 16.392 1.00 72.12 H new ATOM 0 HB3 GLU A 883 16.481 -32.696 17.832 1.00 72.12 H new ATOM 0 HG2 GLU A 883 17.392 -34.983 17.731 1.00 51.21 H new ATOM 0 HG3 GLU A 883 18.167 -34.649 16.195 1.00 51.21 H new ATOM 1502 N ILE A 884 13.879 -32.040 15.597 1.00 20.23 N ATOM 1503 CA ILE A 884 13.177 -30.956 14.931 1.00 61.52 C ATOM 1504 C ILE A 884 12.136 -30.367 15.884 1.00 53.20 C ATOM 1505 O ILE A 884 11.731 -31.017 16.846 1.00 75.40 O ATOM 1506 CB ILE A 884 12.592 -31.435 13.601 1.00 61.14 C ATOM 1507 CG1 ILE A 884 12.266 -32.929 13.651 1.00 33.10 C ATOM 1508 CG2 ILE A 884 13.523 -31.091 12.437 1.00 45.15 C ATOM 1509 CD1 ILE A 884 11.297 -33.240 14.794 1.00 71.34 C ATOM 0 H ILE A 884 13.362 -32.478 16.359 1.00 20.23 H new ATOM 0 HA ILE A 884 13.869 -30.152 14.678 1.00 61.52 H new ATOM 0 HB ILE A 884 11.654 -30.906 13.431 1.00 61.14 H new ATOM 0 HG12 ILE A 884 11.828 -33.241 12.703 1.00 33.10 H new ATOM 0 HG13 ILE A 884 13.184 -33.501 13.782 1.00 33.10 H new ATOM 0 HG21 ILE A 884 13.084 -31.442 11.503 1.00 45.15 H new ATOM 0 HG22 ILE A 884 13.662 -30.011 12.389 1.00 45.15 H new ATOM 0 HG23 ILE A 884 14.488 -31.574 12.588 1.00 45.15 H new ATOM 0 HD11 ILE A 884 11.081 -34.308 14.808 1.00 71.34 H new ATOM 0 HD12 ILE A 884 11.748 -32.949 15.743 1.00 71.34 H new ATOM 0 HD13 ILE A 884 10.371 -32.685 14.647 1.00 71.34 H new ATOM 1521 N PRO A 885 11.722 -29.109 15.576 1.00 55.44 N ATOM 1522 CA PRO A 885 10.735 -28.424 16.394 1.00 41.23 C ATOM 1523 C PRO A 885 9.333 -28.984 16.145 1.00 11.44 C ATOM 1524 O PRO A 885 8.798 -28.862 15.045 1.00 51.34 O ATOM 1525 CB PRO A 885 10.864 -26.956 16.019 1.00 32.42 C ATOM 1526 CG PRO A 885 11.584 -26.929 14.681 1.00 62.30 C ATOM 1527 CD PRO A 885 12.180 -28.308 14.444 1.00 14.42 C ATOM 0 HA PRO A 885 10.902 -28.565 17.462 1.00 41.23 H new ATOM 0 HB2 PRO A 885 9.884 -26.484 15.945 1.00 32.42 H new ATOM 0 HB3 PRO A 885 11.425 -26.408 16.776 1.00 32.42 H new ATOM 0 HG2 PRO A 885 10.892 -26.670 13.880 1.00 62.30 H new ATOM 0 HG3 PRO A 885 12.367 -26.170 14.684 1.00 62.30 H new ATOM 0 HD2 PRO A 885 11.840 -28.729 13.498 1.00 14.42 H new ATOM 0 HD3 PRO A 885 13.268 -28.267 14.402 1.00 14.42 H new ATOM 1535 N VAL A 886 8.778 -29.585 17.187 1.00 33.12 N ATOM 1536 CA VAL A 886 7.448 -30.164 17.096 1.00 10.21 C ATOM 1537 C VAL A 886 6.437 -29.211 17.736 1.00 13.32 C ATOM 1538 O VAL A 886 6.588 -28.825 18.894 1.00 24.55 O ATOM 1539 CB VAL A 886 7.439 -31.557 17.728 1.00 23.22 C ATOM 1540 CG1 VAL A 886 8.216 -31.566 19.046 1.00 23.21 C ATOM 1541 CG2 VAL A 886 6.008 -32.058 17.932 1.00 11.31 C ATOM 0 H VAL A 886 9.225 -29.684 18.099 1.00 33.12 H new ATOM 0 HA VAL A 886 7.158 -30.293 16.053 1.00 10.21 H new ATOM 0 HB VAL A 886 7.938 -32.240 17.040 1.00 23.22 H new ATOM 0 HG11 VAL A 886 8.194 -32.568 19.474 1.00 23.21 H new ATOM 0 HG12 VAL A 886 9.249 -31.273 18.861 1.00 23.21 H new ATOM 0 HG13 VAL A 886 7.759 -30.863 19.743 1.00 23.21 H new ATOM 0 HG21 VAL A 886 6.031 -33.050 18.383 1.00 11.31 H new ATOM 0 HG22 VAL A 886 5.473 -31.373 18.590 1.00 11.31 H new ATOM 0 HG23 VAL A 886 5.499 -32.108 16.969 1.00 11.31 H new ATOM 1551 N ILE A 887 5.427 -28.858 16.954 1.00 3.40 N ATOM 1552 CA ILE A 887 4.391 -27.957 17.430 1.00 43.30 C ATOM 1553 C ILE A 887 3.043 -28.680 17.407 1.00 1.33 C ATOM 1554 O ILE A 887 2.963 -29.838 17.003 1.00 73.44 O ATOM 1555 CB ILE A 887 4.404 -26.654 16.628 1.00 41.12 C ATOM 1556 CG1 ILE A 887 5.814 -26.330 16.131 1.00 64.14 C ATOM 1557 CG2 ILE A 887 3.805 -25.504 17.440 1.00 75.21 C ATOM 1558 CD1 ILE A 887 6.810 -26.293 17.292 1.00 62.13 C ATOM 0 H ILE A 887 5.304 -29.180 15.994 1.00 3.40 H new ATOM 0 HA ILE A 887 4.582 -27.669 18.464 1.00 43.30 H new ATOM 0 HB ILE A 887 3.775 -26.789 15.748 1.00 41.12 H new ATOM 0 HG12 ILE A 887 6.127 -27.078 15.402 1.00 64.14 H new ATOM 0 HG13 ILE A 887 5.811 -25.368 15.619 1.00 64.14 H new ATOM 0 HG21 ILE A 887 3.826 -24.590 16.847 1.00 75.21 H new ATOM 0 HG22 ILE A 887 2.774 -25.742 17.702 1.00 75.21 H new ATOM 0 HG23 ILE A 887 4.387 -25.360 18.350 1.00 75.21 H new ATOM 0 HD11 ILE A 887 7.804 -26.061 16.911 1.00 62.13 H new ATOM 0 HD12 ILE A 887 6.507 -25.528 18.007 1.00 62.13 H new ATOM 0 HD13 ILE A 887 6.829 -27.264 17.786 1.00 62.13 H new ATOM 1570 N LYS A 888 2.017 -27.966 17.847 1.00 4.41 N ATOM 1571 CA LYS A 888 0.677 -28.525 17.882 1.00 14.44 C ATOM 1572 C LYS A 888 -0.057 -28.161 16.590 1.00 62.33 C ATOM 1573 O LYS A 888 0.500 -27.487 15.724 1.00 32.53 O ATOM 1574 CB LYS A 888 -0.056 -28.081 19.150 1.00 4.04 C ATOM 1575 CG LYS A 888 -0.128 -26.555 19.236 1.00 20.03 C ATOM 1576 CD LYS A 888 -1.137 -26.113 20.298 1.00 3.14 C ATOM 1577 CE LYS A 888 -0.501 -26.109 21.690 1.00 11.11 C ATOM 1578 NZ LYS A 888 -1.302 -25.286 22.623 1.00 13.34 N ATOM 0 H LYS A 888 2.087 -27.005 18.182 1.00 4.41 H new ATOM 0 HA LYS A 888 0.720 -29.613 17.930 1.00 14.44 H new ATOM 0 HB2 LYS A 888 -1.063 -28.497 19.156 1.00 4.04 H new ATOM 0 HB3 LYS A 888 0.457 -28.474 20.028 1.00 4.04 H new ATOM 0 HG2 LYS A 888 0.857 -26.154 19.475 1.00 20.03 H new ATOM 0 HG3 LYS A 888 -0.412 -26.145 18.267 1.00 20.03 H new ATOM 0 HD2 LYS A 888 -1.507 -25.116 20.060 1.00 3.14 H new ATOM 0 HD3 LYS A 888 -1.997 -26.783 20.289 1.00 3.14 H new ATOM 0 HE2 LYS A 888 -0.429 -27.129 22.066 1.00 11.11 H new ATOM 0 HE3 LYS A 888 0.515 -25.718 21.631 1.00 11.11 H new ATOM 0 HZ1 LYS A 888 -0.857 -25.294 23.563 1.00 13.34 H new ATOM 0 HZ2 LYS A 888 -1.350 -24.309 22.271 1.00 13.34 H new ATOM 0 HZ3 LYS A 888 -2.264 -25.676 22.692 1.00 13.34 H new ATOM 1591 N ILE A 889 -1.295 -28.624 16.500 1.00 51.05 N ATOM 1592 CA ILE A 889 -2.111 -28.356 15.327 1.00 25.31 C ATOM 1593 C ILE A 889 -2.795 -26.997 15.487 1.00 61.23 C ATOM 1594 O ILE A 889 -2.898 -26.234 14.528 1.00 55.13 O ATOM 1595 CB ILE A 889 -3.084 -29.510 15.077 1.00 13.40 C ATOM 1596 CG1 ILE A 889 -3.402 -29.646 13.586 1.00 2.35 C ATOM 1597 CG2 ILE A 889 -4.351 -29.351 15.921 1.00 42.53 C ATOM 1598 CD1 ILE A 889 -3.552 -28.272 12.930 1.00 11.22 C ATOM 0 H ILE A 889 -1.753 -29.183 17.220 1.00 51.05 H new ATOM 0 HA ILE A 889 -1.488 -28.296 14.434 1.00 25.31 H new ATOM 0 HB ILE A 889 -2.603 -30.437 15.389 1.00 13.40 H new ATOM 0 HG12 ILE A 889 -2.608 -30.205 13.091 1.00 2.35 H new ATOM 0 HG13 ILE A 889 -4.322 -30.217 13.457 1.00 2.35 H new ATOM 0 HG21 ILE A 889 -5.026 -30.184 15.725 1.00 42.53 H new ATOM 0 HG22 ILE A 889 -4.085 -29.341 16.978 1.00 42.53 H new ATOM 0 HG23 ILE A 889 -4.845 -28.415 15.662 1.00 42.53 H new ATOM 0 HD11 ILE A 889 -3.778 -28.397 11.871 1.00 11.22 H new ATOM 0 HD12 ILE A 889 -4.363 -27.725 13.412 1.00 11.22 H new ATOM 0 HD13 ILE A 889 -2.623 -27.713 13.039 1.00 11.22 H new ATOM 1610 N GLU A 890 -3.244 -26.736 16.705 1.00 33.34 N ATOM 1611 CA GLU A 890 -3.916 -25.483 17.003 1.00 41.40 C ATOM 1612 C GLU A 890 -2.899 -24.427 17.443 1.00 72.30 C ATOM 1613 O GLU A 890 -3.170 -23.639 18.347 1.00 3.34 O ATOM 1614 CB GLU A 890 -4.998 -25.679 18.067 1.00 65.00 C ATOM 1615 CG GLU A 890 -4.378 -26.047 19.417 1.00 54.01 C ATOM 1616 CD GLU A 890 -5.406 -25.923 20.543 1.00 33.34 C ATOM 1617 OE1 GLU A 890 -5.388 -24.937 21.294 1.00 4.42 O ATOM 1618 OE2 GLU A 890 -6.247 -26.898 20.624 1.00 72.33 O ATOM 0 H GLU A 890 -3.156 -27.371 17.498 1.00 33.34 H new ATOM 0 HA GLU A 890 -4.406 -25.132 16.095 1.00 41.40 H new ATOM 0 HB2 GLU A 890 -5.583 -24.765 18.168 1.00 65.00 H new ATOM 0 HB3 GLU A 890 -5.685 -26.464 17.752 1.00 65.00 H new ATOM 0 HG2 GLU A 890 -3.995 -27.067 19.380 1.00 54.01 H new ATOM 0 HG3 GLU A 890 -3.529 -25.395 19.621 1.00 54.01 H new ATOM 1626 N SER A 891 -1.751 -24.447 16.783 1.00 43.42 N ATOM 1627 CA SER A 891 -0.692 -23.501 17.095 1.00 72.15 C ATOM 1628 C SER A 891 -0.604 -22.435 16.000 1.00 23.24 C ATOM 1629 O SER A 891 -0.368 -21.263 16.289 1.00 55.25 O ATOM 1630 CB SER A 891 0.653 -24.213 17.252 1.00 11.34 C ATOM 1631 OG SER A 891 1.746 -23.375 16.887 1.00 42.20 O ATOM 0 H SER A 891 -1.530 -25.103 16.034 1.00 43.42 H new ATOM 0 HA SER A 891 -0.931 -23.020 18.043 1.00 72.15 H new ATOM 0 HB2 SER A 891 0.774 -24.536 18.286 1.00 11.34 H new ATOM 0 HB3 SER A 891 0.662 -25.111 16.634 1.00 11.34 H new ATOM 0 HG SER A 891 1.752 -22.578 17.458 1.00 42.20 H new ATOM 1637 N PHE A 892 -0.797 -22.881 14.768 1.00 40.22 N ATOM 1638 CA PHE A 892 -0.742 -21.980 13.629 1.00 0.11 C ATOM 1639 C PHE A 892 -1.976 -22.144 12.740 1.00 72.12 C ATOM 1640 O PHE A 892 -2.776 -23.056 12.944 1.00 62.32 O ATOM 1641 CB PHE A 892 0.505 -22.352 12.824 1.00 11.03 C ATOM 1642 CG PHE A 892 0.781 -23.856 12.764 1.00 1.34 C ATOM 1643 CD1 PHE A 892 -0.112 -24.688 12.165 1.00 51.20 C ATOM 1644 CD2 PHE A 892 1.920 -24.360 13.311 1.00 71.23 C ATOM 1645 CE1 PHE A 892 0.144 -26.083 12.109 1.00 22.43 C ATOM 1646 CE2 PHE A 892 2.176 -25.756 13.255 1.00 2.31 C ATOM 1647 CZ PHE A 892 1.283 -26.588 12.656 1.00 40.14 C ATOM 0 H PHE A 892 -0.992 -23.854 14.533 1.00 40.22 H new ATOM 0 HA PHE A 892 -0.710 -20.946 13.974 1.00 0.11 H new ATOM 0 HB2 PHE A 892 0.396 -21.972 11.808 1.00 11.03 H new ATOM 0 HB3 PHE A 892 1.369 -21.851 13.260 1.00 11.03 H new ATOM 0 HD1 PHE A 892 -1.016 -24.287 11.732 1.00 51.20 H new ATOM 0 HD2 PHE A 892 2.629 -23.699 13.787 1.00 71.23 H new ATOM 0 HE1 PHE A 892 -0.565 -26.744 11.632 1.00 22.43 H new ATOM 0 HE2 PHE A 892 3.080 -26.157 13.688 1.00 2.31 H new ATOM 0 HZ PHE A 892 1.478 -27.650 12.614 1.00 40.14 H new ATOM 1657 N VAL A 893 -2.093 -21.247 11.772 1.00 5.42 N ATOM 1658 CA VAL A 893 -3.216 -21.280 10.851 1.00 22.51 C ATOM 1659 C VAL A 893 -2.736 -21.778 9.486 1.00 3.41 C ATOM 1660 O VAL A 893 -1.534 -21.893 9.251 1.00 22.32 O ATOM 1661 CB VAL A 893 -3.881 -19.904 10.786 1.00 61.11 C ATOM 1662 CG1 VAL A 893 -3.821 -19.202 12.144 1.00 52.53 C ATOM 1663 CG2 VAL A 893 -3.248 -19.040 9.693 1.00 24.42 C ATOM 0 H VAL A 893 -1.428 -20.492 11.606 1.00 5.42 H new ATOM 0 HA VAL A 893 -3.977 -21.977 11.202 1.00 22.51 H new ATOM 0 HB VAL A 893 -4.931 -20.050 10.531 1.00 61.11 H new ATOM 0 HG11 VAL A 893 -4.301 -18.226 12.071 1.00 52.53 H new ATOM 0 HG12 VAL A 893 -4.339 -19.806 12.889 1.00 52.53 H new ATOM 0 HG13 VAL A 893 -2.780 -19.073 12.441 1.00 52.53 H new ATOM 0 HG21 VAL A 893 -3.739 -18.067 9.668 1.00 24.42 H new ATOM 0 HG22 VAL A 893 -2.187 -18.906 9.904 1.00 24.42 H new ATOM 0 HG23 VAL A 893 -3.366 -19.531 8.727 1.00 24.42 H new ATOM 1673 N VAL A 894 -3.700 -22.058 8.622 1.00 63.43 N ATOM 1674 CA VAL A 894 -3.390 -22.540 7.286 1.00 33.53 C ATOM 1675 C VAL A 894 -4.084 -21.650 6.254 1.00 50.42 C ATOM 1676 O VAL A 894 -5.307 -21.680 6.124 1.00 1.32 O ATOM 1677 CB VAL A 894 -3.777 -24.015 7.160 1.00 73.34 C ATOM 1678 CG1 VAL A 894 -2.847 -24.745 6.188 1.00 13.31 C ATOM 1679 CG2 VAL A 894 -3.786 -24.699 8.528 1.00 33.22 C ATOM 0 H VAL A 894 -4.696 -21.961 8.820 1.00 63.43 H new ATOM 0 HA VAL A 894 -2.318 -22.481 7.097 1.00 33.53 H new ATOM 0 HB VAL A 894 -4.788 -24.062 6.756 1.00 73.34 H new ATOM 0 HG11 VAL A 894 -3.144 -25.791 6.117 1.00 13.31 H new ATOM 0 HG12 VAL A 894 -2.913 -24.281 5.204 1.00 13.31 H new ATOM 0 HG13 VAL A 894 -1.821 -24.683 6.550 1.00 13.31 H new ATOM 0 HG21 VAL A 894 -4.064 -25.746 8.409 1.00 33.22 H new ATOM 0 HG22 VAL A 894 -2.793 -24.636 8.973 1.00 33.22 H new ATOM 0 HG23 VAL A 894 -4.507 -24.203 9.178 1.00 33.22 H new ATOM 1689 N GLU A 895 -3.273 -20.878 5.545 1.00 11.44 N ATOM 1690 CA GLU A 895 -3.794 -19.980 4.528 1.00 4.33 C ATOM 1691 C GLU A 895 -3.339 -20.431 3.139 1.00 60.01 C ATOM 1692 O GLU A 895 -2.142 -20.538 2.878 1.00 23.11 O ATOM 1693 CB GLU A 895 -3.369 -18.536 4.802 1.00 5.22 C ATOM 1694 CG GLU A 895 -3.995 -17.578 3.787 1.00 51.20 C ATOM 1695 CD GLU A 895 -3.546 -16.138 4.042 1.00 4.32 C ATOM 1696 OE1 GLU A 895 -2.551 -15.686 3.456 1.00 51.53 O ATOM 1697 OE2 GLU A 895 -4.271 -15.481 4.883 1.00 24.34 O ATOM 0 H GLU A 895 -2.259 -20.856 5.655 1.00 11.44 H new ATOM 0 HA GLU A 895 -4.883 -20.016 4.562 1.00 4.33 H new ATOM 0 HB2 GLU A 895 -3.669 -18.250 5.810 1.00 5.22 H new ATOM 0 HB3 GLU A 895 -2.283 -18.458 4.759 1.00 5.22 H new ATOM 0 HG2 GLU A 895 -3.713 -17.877 2.778 1.00 51.20 H new ATOM 0 HG3 GLU A 895 -5.082 -17.640 3.846 1.00 51.20 H new ATOM 1705 N ASP A 896 -4.319 -20.683 2.284 1.00 62.44 N ATOM 1706 CA ASP A 896 -4.034 -21.121 0.927 1.00 14.44 C ATOM 1707 C ASP A 896 -3.475 -19.945 0.124 1.00 64.00 C ATOM 1708 O ASP A 896 -3.895 -18.804 0.312 1.00 62.35 O ATOM 1709 CB ASP A 896 -5.305 -21.609 0.228 1.00 4.23 C ATOM 1710 CG ASP A 896 -5.205 -23.002 -0.395 1.00 64.44 C ATOM 1711 OD1 ASP A 896 -4.109 -23.473 -0.736 1.00 1.35 O ATOM 1712 OD2 ASP A 896 -6.328 -23.621 -0.530 1.00 34.31 O ATOM 0 H ASP A 896 -5.311 -20.593 2.504 1.00 62.44 H new ATOM 0 HA ASP A 896 -3.315 -21.938 0.980 1.00 14.44 H new ATOM 0 HB2 ASP A 896 -6.122 -21.608 0.950 1.00 4.23 H new ATOM 0 HB3 ASP A 896 -5.569 -20.896 -0.553 1.00 4.23 H new ATOM 1718 N ILE A 897 -2.535 -20.264 -0.754 1.00 2.21 N ATOM 1719 CA ILE A 897 -1.913 -19.248 -1.587 1.00 31.14 C ATOM 1720 C ILE A 897 -2.736 -19.069 -2.864 1.00 45.22 C ATOM 1721 O ILE A 897 -2.489 -18.148 -3.641 1.00 42.24 O ATOM 1722 CB ILE A 897 -0.444 -19.591 -1.844 1.00 34.43 C ATOM 1723 CG1 ILE A 897 0.136 -20.413 -0.691 1.00 64.11 C ATOM 1724 CG2 ILE A 897 0.374 -18.328 -2.117 1.00 3.05 C ATOM 1725 CD1 ILE A 897 0.241 -21.892 -1.070 1.00 42.31 C ATOM 0 H ILE A 897 -2.189 -21.211 -0.907 1.00 2.21 H new ATOM 0 HA ILE A 897 -1.906 -18.286 -1.074 1.00 31.14 H new ATOM 0 HB ILE A 897 -0.388 -20.209 -2.740 1.00 34.43 H new ATOM 0 HG12 ILE A 897 1.122 -20.031 -0.427 1.00 64.11 H new ATOM 0 HG13 ILE A 897 -0.495 -20.304 0.191 1.00 64.11 H new ATOM 0 HG21 ILE A 897 1.414 -18.600 -2.296 1.00 3.05 H new ATOM 0 HG22 ILE A 897 -0.025 -17.819 -2.995 1.00 3.05 H new ATOM 0 HG23 ILE A 897 0.316 -17.664 -1.255 1.00 3.05 H new ATOM 0 HD11 ILE A 897 0.656 -22.453 -0.233 1.00 42.31 H new ATOM 0 HD12 ILE A 897 -0.750 -22.277 -1.310 1.00 42.31 H new ATOM 0 HD13 ILE A 897 0.892 -22.000 -1.938 1.00 42.31 H new ATOM 1737 N ALA A 898 -3.696 -19.964 -3.042 1.00 12.40 N ATOM 1738 CA ALA A 898 -4.556 -19.916 -4.212 1.00 55.30 C ATOM 1739 C ALA A 898 -5.938 -19.401 -3.803 1.00 50.12 C ATOM 1740 O ALA A 898 -6.799 -19.179 -4.654 1.00 25.32 O ATOM 1741 CB ALA A 898 -4.618 -21.302 -4.857 1.00 52.55 C ATOM 0 H ALA A 898 -3.897 -20.727 -2.396 1.00 12.40 H new ATOM 0 HA ALA A 898 -4.154 -19.228 -4.956 1.00 55.30 H new ATOM 0 HB1 ALA A 898 -5.263 -21.266 -5.735 1.00 52.55 H new ATOM 0 HB2 ALA A 898 -3.616 -21.610 -5.156 1.00 52.55 H new ATOM 0 HB3 ALA A 898 -5.019 -22.019 -4.141 1.00 52.55 H new ATOM 1747 N THR A 899 -6.107 -19.225 -2.501 1.00 33.40 N ATOM 1748 CA THR A 899 -7.370 -18.741 -1.969 1.00 3.30 C ATOM 1749 C THR A 899 -7.125 -17.639 -0.936 1.00 52.11 C ATOM 1750 O THR A 899 -7.758 -16.585 -0.985 1.00 71.34 O ATOM 1751 CB THR A 899 -8.138 -19.939 -1.409 1.00 21.34 C ATOM 1752 OG1 THR A 899 -7.578 -20.136 -0.113 1.00 44.13 O ATOM 1753 CG2 THR A 899 -7.821 -21.238 -2.153 1.00 22.02 C ATOM 0 H THR A 899 -5.391 -19.409 -1.799 1.00 33.40 H new ATOM 0 HA THR A 899 -7.979 -18.283 -2.749 1.00 3.30 H new ATOM 0 HB THR A 899 -9.208 -19.741 -1.464 1.00 21.34 H new ATOM 0 HG1 THR A 899 -8.121 -20.784 0.383 1.00 44.13 H new ATOM 0 HG21 THR A 899 -8.392 -22.057 -1.715 1.00 22.02 H new ATOM 0 HG22 THR A 899 -8.089 -21.130 -3.204 1.00 22.02 H new ATOM 0 HG23 THR A 899 -6.756 -21.454 -2.070 1.00 22.02 H new ATOM 1761 N GLY A 900 -6.205 -17.920 -0.025 1.00 15.12 N ATOM 1762 CA GLY A 900 -5.869 -16.966 1.018 1.00 14.23 C ATOM 1763 C GLY A 900 -6.782 -17.138 2.234 1.00 33.30 C ATOM 1764 O GLY A 900 -6.865 -16.253 3.084 1.00 43.54 O ATOM 0 H GLY A 900 -5.682 -18.795 0.012 1.00 15.12 H new ATOM 0 HA2 GLY A 900 -4.830 -17.100 1.317 1.00 14.23 H new ATOM 0 HA3 GLY A 900 -5.961 -15.951 0.631 1.00 14.23 H new ATOM 1768 N VAL A 901 -7.445 -18.285 2.278 1.00 11.44 N ATOM 1769 CA VAL A 901 -8.349 -18.585 3.376 1.00 41.40 C ATOM 1770 C VAL A 901 -7.544 -19.123 4.561 1.00 53.12 C ATOM 1771 O VAL A 901 -7.067 -20.256 4.528 1.00 20.01 O ATOM 1772 CB VAL A 901 -9.440 -19.549 2.907 1.00 60.13 C ATOM 1773 CG1 VAL A 901 -10.471 -19.789 4.011 1.00 73.41 C ATOM 1774 CG2 VAL A 901 -10.112 -19.038 1.631 1.00 43.04 C ATOM 0 H VAL A 901 -7.374 -19.017 1.571 1.00 11.44 H new ATOM 0 HA VAL A 901 -8.856 -17.680 3.712 1.00 41.40 H new ATOM 0 HB VAL A 901 -8.967 -20.504 2.677 1.00 60.13 H new ATOM 0 HG11 VAL A 901 -11.235 -20.478 3.651 1.00 73.41 H new ATOM 0 HG12 VAL A 901 -9.977 -20.218 4.883 1.00 73.41 H new ATOM 0 HG13 VAL A 901 -10.936 -18.842 4.286 1.00 73.41 H new ATOM 0 HG21 VAL A 901 -10.884 -19.742 1.319 1.00 43.04 H new ATOM 0 HG22 VAL A 901 -10.565 -18.065 1.823 1.00 43.04 H new ATOM 0 HG23 VAL A 901 -9.367 -18.942 0.841 1.00 43.04 H new ATOM 1784 N GLN A 902 -7.419 -18.285 5.579 1.00 2.23 N ATOM 1785 CA GLN A 902 -6.680 -18.662 6.772 1.00 33.24 C ATOM 1786 C GLN A 902 -7.625 -19.270 7.811 1.00 21.13 C ATOM 1787 O GLN A 902 -8.732 -18.773 8.015 1.00 63.51 O ATOM 1788 CB GLN A 902 -5.926 -17.464 7.352 1.00 22.21 C ATOM 1789 CG GLN A 902 -6.876 -16.528 8.101 1.00 51.31 C ATOM 1790 CD GLN A 902 -6.121 -15.331 8.682 1.00 11.33 C ATOM 1791 OE1 GLN A 902 -5.071 -15.664 9.428 1.00 1.04 O flip ATOM 1792 NE2 GLN A 902 -6.469 -14.181 8.468 1.00 50.43 N flip ATOM 0 H GLN A 902 -7.817 -17.346 5.603 1.00 2.23 H new ATOM 0 HA GLN A 902 -5.942 -19.415 6.496 1.00 33.24 H new ATOM 0 HB2 GLN A 902 -5.146 -17.814 8.028 1.00 22.21 H new ATOM 0 HB3 GLN A 902 -5.430 -16.918 6.549 1.00 22.21 H new ATOM 0 HG2 GLN A 902 -7.655 -16.177 7.424 1.00 51.31 H new ATOM 0 HG3 GLN A 902 -7.372 -17.074 8.903 1.00 51.31 H new ATOM 0 HE21 GLN A 902 -7.285 -13.995 7.886 1.00 50.43 H new ATOM 0 HE22 GLN A 902 -5.943 -13.406 8.872 1.00 50.43 H new ATOM 1801 N THR A 903 -7.153 -20.336 8.441 1.00 34.10 N ATOM 1802 CA THR A 903 -7.942 -21.017 9.454 1.00 52.12 C ATOM 1803 C THR A 903 -7.028 -21.721 10.458 1.00 64.11 C ATOM 1804 O THR A 903 -5.868 -22.000 10.157 1.00 2.44 O ATOM 1805 CB THR A 903 -8.908 -21.966 8.742 1.00 61.33 C ATOM 1806 OG1 THR A 903 -9.837 -21.098 8.099 1.00 71.34 O ATOM 1807 CG2 THR A 903 -9.766 -22.771 9.720 1.00 23.31 C ATOM 0 H THR A 903 -6.234 -20.745 8.270 1.00 34.10 H new ATOM 0 HA THR A 903 -8.530 -20.310 10.039 1.00 52.12 H new ATOM 0 HB THR A 903 -8.343 -22.649 8.107 1.00 61.33 H new ATOM 0 HG1 THR A 903 -9.642 -20.170 8.345 1.00 71.34 H new ATOM 0 HG21 THR A 903 -10.433 -23.428 9.163 1.00 23.31 H new ATOM 0 HG22 THR A 903 -9.121 -23.370 10.363 1.00 23.31 H new ATOM 0 HG23 THR A 903 -10.356 -22.089 10.332 1.00 23.31 H new ATOM 1815 N LEU A 904 -7.584 -21.989 11.630 1.00 11.31 N ATOM 1816 CA LEU A 904 -6.833 -22.655 12.680 1.00 30.04 C ATOM 1817 C LEU A 904 -7.659 -23.819 13.232 1.00 2.22 C ATOM 1818 O LEU A 904 -8.691 -23.606 13.866 1.00 31.43 O ATOM 1819 CB LEU A 904 -6.397 -21.649 13.748 1.00 34.41 C ATOM 1820 CG LEU A 904 -7.276 -20.406 13.896 1.00 0.51 C ATOM 1821 CD1 LEU A 904 -8.544 -20.721 14.692 1.00 22.31 C ATOM 1822 CD2 LEU A 904 -6.487 -19.247 14.510 1.00 33.12 C ATOM 0 H LEU A 904 -8.546 -21.757 11.876 1.00 11.31 H new ATOM 0 HA LEU A 904 -5.912 -23.079 12.280 1.00 30.04 H new ATOM 0 HB2 LEU A 904 -6.362 -22.162 14.709 1.00 34.41 H new ATOM 0 HB3 LEU A 904 -5.381 -21.326 13.522 1.00 34.41 H new ATOM 0 HG LEU A 904 -7.591 -20.091 12.901 1.00 0.51 H new ATOM 0 HD11 LEU A 904 -9.150 -19.820 14.782 1.00 22.31 H new ATOM 0 HD12 LEU A 904 -9.115 -21.493 14.176 1.00 22.31 H new ATOM 0 HD13 LEU A 904 -8.271 -21.075 15.686 1.00 22.31 H new ATOM 0 HD21 LEU A 904 -7.135 -18.375 14.604 1.00 33.12 H new ATOM 0 HD22 LEU A 904 -6.123 -19.537 15.496 1.00 33.12 H new ATOM 0 HD23 LEU A 904 -5.641 -19.002 13.868 1.00 33.12 H new ATOM 1834 N TYR A 905 -7.173 -25.023 12.971 1.00 72.53 N ATOM 1835 CA TYR A 905 -7.853 -26.221 13.433 1.00 35.32 C ATOM 1836 C TYR A 905 -7.669 -26.409 14.940 1.00 21.34 C ATOM 1837 O TYR A 905 -7.025 -25.593 15.597 1.00 2.21 O ATOM 1838 CB TYR A 905 -7.193 -27.391 12.701 1.00 41.23 C ATOM 1839 CG TYR A 905 -7.129 -27.218 11.182 1.00 54.31 C ATOM 1840 CD1 TYR A 905 -7.869 -26.227 10.569 1.00 45.52 C ATOM 1841 CD2 TYR A 905 -6.333 -28.053 10.425 1.00 40.12 C ATOM 1842 CE1 TYR A 905 -7.809 -26.064 9.139 1.00 2.33 C ATOM 1843 CE2 TYR A 905 -6.273 -27.890 8.995 1.00 33.13 C ATOM 1844 CZ TYR A 905 -7.014 -26.903 8.423 1.00 32.51 C ATOM 1845 OH TYR A 905 -6.958 -26.750 7.073 1.00 3.30 O ATOM 0 H TYR A 905 -6.316 -25.195 12.445 1.00 72.53 H new ATOM 0 HA TYR A 905 -8.923 -26.155 13.235 1.00 35.32 H new ATOM 0 HB2 TYR A 905 -6.181 -27.522 13.084 1.00 41.23 H new ATOM 0 HB3 TYR A 905 -7.741 -28.305 12.930 1.00 41.23 H new ATOM 0 HD1 TYR A 905 -8.493 -25.574 11.161 1.00 45.52 H new ATOM 0 HD2 TYR A 905 -5.755 -28.829 10.905 1.00 40.12 H new ATOM 0 HE1 TYR A 905 -8.383 -25.293 8.647 1.00 2.33 H new ATOM 0 HE2 TYR A 905 -5.654 -28.537 8.391 1.00 33.13 H new ATOM 0 HH TYR A 905 -6.350 -27.418 6.693 1.00 3.30 H new ATOM 1855 N SER A 906 -8.246 -27.490 15.445 1.00 61.24 N ATOM 1856 CA SER A 906 -8.153 -27.796 16.862 1.00 11.21 C ATOM 1857 C SER A 906 -7.447 -29.138 17.063 1.00 60.22 C ATOM 1858 O SER A 906 -6.653 -29.294 17.990 1.00 53.24 O ATOM 1859 CB SER A 906 -9.538 -27.822 17.512 1.00 71.35 C ATOM 1860 OG SER A 906 -9.467 -27.676 18.927 1.00 23.43 O ATOM 0 H SER A 906 -8.780 -28.165 14.897 1.00 61.24 H new ATOM 0 HA SER A 906 -7.570 -27.011 17.343 1.00 11.21 H new ATOM 0 HB2 SER A 906 -10.149 -27.021 17.095 1.00 71.35 H new ATOM 0 HB3 SER A 906 -10.035 -28.761 17.269 1.00 71.35 H new ATOM 0 HG SER A 906 -10.371 -27.696 19.304 1.00 23.43 H new ATOM 1866 N LYS A 907 -7.761 -30.074 16.179 1.00 54.21 N ATOM 1867 CA LYS A 907 -7.167 -31.398 16.247 1.00 1.03 C ATOM 1868 C LYS A 907 -6.490 -31.718 14.913 1.00 3.22 C ATOM 1869 O LYS A 907 -6.785 -31.090 13.897 1.00 23.41 O ATOM 1870 CB LYS A 907 -8.211 -32.433 16.670 1.00 13.15 C ATOM 1871 CG LYS A 907 -7.548 -33.643 17.330 1.00 23.35 C ATOM 1872 CD LYS A 907 -6.778 -33.230 18.586 1.00 2.43 C ATOM 1873 CE LYS A 907 -7.577 -32.219 19.411 1.00 11.12 C ATOM 1874 NZ LYS A 907 -8.920 -32.755 19.728 1.00 2.20 N ATOM 0 H LYS A 907 -8.420 -29.941 15.411 1.00 54.21 H new ATOM 0 HA LYS A 907 -6.393 -31.429 17.014 1.00 1.03 H new ATOM 0 HB2 LYS A 907 -8.919 -31.978 17.363 1.00 13.15 H new ATOM 0 HB3 LYS A 907 -8.781 -32.756 15.799 1.00 13.15 H new ATOM 0 HG2 LYS A 907 -8.307 -34.381 17.591 1.00 23.35 H new ATOM 0 HG3 LYS A 907 -6.869 -34.120 16.623 1.00 23.35 H new ATOM 0 HD2 LYS A 907 -6.564 -34.111 19.192 1.00 2.43 H new ATOM 0 HD3 LYS A 907 -5.819 -32.797 18.303 1.00 2.43 H new ATOM 0 HE2 LYS A 907 -7.043 -31.990 20.333 1.00 11.12 H new ATOM 0 HE3 LYS A 907 -7.673 -31.284 18.858 1.00 11.12 H new ATOM 0 HZ1 LYS A 907 -9.636 -32.251 19.168 1.00 2.20 H new ATOM 0 HZ2 LYS A 907 -8.952 -33.769 19.499 1.00 2.20 H new ATOM 0 HZ3 LYS A 907 -9.116 -32.623 20.741 1.00 2.20 H new ATOM 1887 N TRP A 908 -5.595 -32.693 14.959 1.00 25.44 N ATOM 1888 CA TRP A 908 -4.873 -33.104 13.767 1.00 61.11 C ATOM 1889 C TRP A 908 -5.865 -33.795 12.829 1.00 64.13 C ATOM 1890 O TRP A 908 -5.574 -33.995 11.650 1.00 24.45 O ATOM 1891 CB TRP A 908 -3.676 -33.987 14.127 1.00 53.31 C ATOM 1892 CG TRP A 908 -2.971 -33.580 15.422 1.00 24.22 C ATOM 1893 CD1 TRP A 908 -1.939 -32.737 15.570 1.00 34.45 C ATOM 1894 CD2 TRP A 908 -3.288 -34.036 16.754 1.00 34.31 C ATOM 1895 NE1 TRP A 908 -1.571 -32.617 16.895 1.00 63.40 N ATOM 1896 CE2 TRP A 908 -2.417 -33.432 17.638 1.00 73.35 C ATOM 1897 CE3 TRP A 908 -4.279 -34.930 17.198 1.00 55.54 C ATOM 1898 CZ2 TRP A 908 -2.449 -33.656 19.019 1.00 11.22 C ATOM 1899 CZ3 TRP A 908 -4.298 -35.142 18.581 1.00 31.43 C ATOM 1900 CH2 TRP A 908 -3.428 -34.542 19.484 1.00 70.21 C ATOM 0 H TRP A 908 -5.353 -33.211 15.804 1.00 25.44 H new ATOM 0 HA TRP A 908 -4.452 -32.239 13.254 1.00 61.11 H new ATOM 0 HB2 TRP A 908 -4.013 -35.020 14.218 1.00 53.31 H new ATOM 0 HB3 TRP A 908 -2.956 -33.958 13.309 1.00 53.31 H new ATOM 0 HD1 TRP A 908 -1.457 -32.217 14.755 1.00 34.45 H new ATOM 0 HE1 TRP A 908 -0.817 -32.037 17.262 1.00 63.40 H new ATOM 0 HE3 TRP A 908 -4.971 -35.415 16.525 1.00 55.54 H new ATOM 0 HZ2 TRP A 908 -1.755 -33.171 19.690 1.00 11.22 H new ATOM 0 HZ3 TRP A 908 -5.041 -35.820 18.975 1.00 31.43 H new ATOM 0 HH2 TRP A 908 -3.507 -34.758 20.539 1.00 70.21 H new ATOM 1911 N LYS A 909 -7.016 -34.140 13.387 1.00 64.45 N ATOM 1912 CA LYS A 909 -8.052 -34.805 12.614 1.00 1.35 C ATOM 1913 C LYS A 909 -8.570 -33.850 11.536 1.00 24.35 C ATOM 1914 O LYS A 909 -9.285 -34.266 10.626 1.00 11.32 O ATOM 1915 CB LYS A 909 -9.147 -35.341 13.538 1.00 33.41 C ATOM 1916 CG LYS A 909 -10.246 -34.298 13.750 1.00 50.12 C ATOM 1917 CD LYS A 909 -11.348 -34.840 14.662 1.00 13.42 C ATOM 1918 CE LYS A 909 -10.770 -35.318 15.996 1.00 54.04 C ATOM 1919 NZ LYS A 909 -10.278 -36.709 15.878 1.00 41.31 N ATOM 0 H LYS A 909 -7.254 -33.972 14.364 1.00 64.45 H new ATOM 0 HA LYS A 909 -7.645 -35.676 12.100 1.00 1.35 H new ATOM 0 HB2 LYS A 909 -9.578 -36.246 13.110 1.00 33.41 H new ATOM 0 HB3 LYS A 909 -8.713 -35.618 14.499 1.00 33.41 H new ATOM 0 HG2 LYS A 909 -9.817 -33.397 14.188 1.00 50.12 H new ATOM 0 HG3 LYS A 909 -10.672 -34.013 12.788 1.00 50.12 H new ATOM 0 HD2 LYS A 909 -12.091 -34.063 14.841 1.00 13.42 H new ATOM 0 HD3 LYS A 909 -11.861 -35.665 14.168 1.00 13.42 H new ATOM 0 HE2 LYS A 909 -9.955 -34.662 16.302 1.00 54.04 H new ATOM 0 HE3 LYS A 909 -11.534 -35.260 16.772 1.00 54.04 H new ATOM 0 HZ1 LYS A 909 -10.754 -37.307 16.583 1.00 41.31 H new ATOM 0 HZ2 LYS A 909 -10.482 -37.070 14.924 1.00 41.31 H new ATOM 0 HZ3 LYS A 909 -9.251 -36.729 16.044 1.00 41.31 H new ATOM 1932 N ASP A 910 -8.188 -32.589 11.675 1.00 63.22 N ATOM 1933 CA ASP A 910 -8.604 -31.572 10.724 1.00 34.51 C ATOM 1934 C ASP A 910 -7.601 -31.517 9.571 1.00 45.12 C ATOM 1935 O ASP A 910 -7.850 -30.867 8.557 1.00 41.22 O ATOM 1936 CB ASP A 910 -8.648 -30.191 11.379 1.00 15.34 C ATOM 1937 CG ASP A 910 -9.966 -29.848 12.077 1.00 12.22 C ATOM 1938 OD1 ASP A 910 -10.292 -28.669 12.282 1.00 34.24 O ATOM 1939 OD2 ASP A 910 -10.682 -30.865 12.421 1.00 41.43 O ATOM 0 H ASP A 910 -7.595 -32.248 12.432 1.00 63.22 H new ATOM 0 HA ASP A 910 -9.600 -31.833 10.366 1.00 34.51 H new ATOM 0 HB2 ASP A 910 -7.840 -30.125 12.108 1.00 15.34 H new ATOM 0 HB3 ASP A 910 -8.451 -29.437 10.617 1.00 15.34 H new ATOM 1945 N PHE A 911 -6.486 -32.207 9.764 1.00 35.44 N ATOM 1946 CA PHE A 911 -5.444 -32.245 8.753 1.00 42.20 C ATOM 1947 C PHE A 911 -5.955 -32.887 7.462 1.00 71.41 C ATOM 1948 O PHE A 911 -6.913 -33.659 7.485 1.00 1.23 O ATOM 1949 CB PHE A 911 -4.305 -33.097 9.316 1.00 3.23 C ATOM 1950 CG PHE A 911 -4.517 -34.604 9.157 1.00 13.42 C ATOM 1951 CD1 PHE A 911 -5.745 -35.144 9.379 1.00 33.33 C ATOM 1952 CD2 PHE A 911 -3.478 -35.402 8.794 1.00 72.34 C ATOM 1953 CE1 PHE A 911 -5.943 -36.543 9.232 1.00 44.25 C ATOM 1954 CE2 PHE A 911 -3.676 -36.801 8.646 1.00 45.30 C ATOM 1955 CZ PHE A 911 -4.904 -37.341 8.868 1.00 65.40 C ATOM 0 H PHE A 911 -6.282 -32.744 10.607 1.00 35.44 H new ATOM 0 HA PHE A 911 -5.117 -31.232 8.518 1.00 42.20 H new ATOM 0 HB2 PHE A 911 -3.376 -32.817 8.819 1.00 3.23 H new ATOM 0 HB3 PHE A 911 -4.182 -32.868 10.374 1.00 3.23 H new ATOM 0 HD1 PHE A 911 -6.570 -34.509 9.667 1.00 33.33 H new ATOM 0 HD2 PHE A 911 -2.503 -34.973 8.618 1.00 72.34 H new ATOM 0 HE1 PHE A 911 -6.918 -36.972 9.409 1.00 44.25 H new ATOM 0 HE2 PHE A 911 -2.851 -37.436 8.357 1.00 45.30 H new ATOM 0 HZ PHE A 911 -5.054 -38.405 8.755 1.00 65.40 H new ATOM 1965 N HIS A 912 -5.293 -32.546 6.366 1.00 14.42 N ATOM 1966 CA HIS A 912 -5.669 -33.079 5.068 1.00 61.40 C ATOM 1967 C HIS A 912 -4.450 -33.726 4.407 1.00 20.20 C ATOM 1968 O HIS A 912 -4.281 -33.643 3.192 1.00 42.44 O ATOM 1969 CB HIS A 912 -6.309 -31.995 4.199 1.00 2.11 C ATOM 1970 CG HIS A 912 -7.786 -31.803 4.446 1.00 53.05 C ATOM 1971 ND1 HIS A 912 -8.303 -31.478 5.687 1.00 12.25 N ATOM 1972 CD2 HIS A 912 -8.850 -31.893 3.597 1.00 15.20 C ATOM 1973 CE1 HIS A 912 -9.620 -31.380 5.580 1.00 50.21 C ATOM 1974 NE2 HIS A 912 -9.957 -31.638 4.284 1.00 53.13 N ATOM 0 H HIS A 912 -4.498 -31.907 6.350 1.00 14.42 H new ATOM 0 HA HIS A 912 -6.425 -33.854 5.194 1.00 61.40 H new ATOM 0 HB2 HIS A 912 -5.795 -31.050 4.377 1.00 2.11 H new ATOM 0 HB3 HIS A 912 -6.156 -32.248 3.150 1.00 2.11 H new ATOM 0 HD1 HIS A 912 -7.762 -31.338 6.540 1.00 12.25 H new ATOM 0 HD2 HIS A 912 -8.800 -32.131 2.545 1.00 15.20 H new ATOM 0 HE1 HIS A 912 -10.306 -31.138 6.379 1.00 50.21 H new ATOM 1982 N PHE A 913 -3.632 -34.357 5.237 1.00 50.21 N ATOM 1983 CA PHE A 913 -2.434 -35.018 4.748 1.00 4.44 C ATOM 1984 C PHE A 913 -2.368 -36.466 5.238 1.00 4.31 C ATOM 1985 O PHE A 913 -3.342 -36.987 5.779 1.00 4.32 O ATOM 1986 CB PHE A 913 -1.237 -34.247 5.310 1.00 14.21 C ATOM 1987 CG PHE A 913 -0.673 -33.193 4.356 1.00 45.24 C ATOM 1988 CD1 PHE A 913 -1.371 -32.051 4.113 1.00 60.32 C ATOM 1989 CD2 PHE A 913 0.528 -33.397 3.750 1.00 72.41 C ATOM 1990 CE1 PHE A 913 -0.847 -31.073 3.227 1.00 62.11 C ATOM 1991 CE2 PHE A 913 1.052 -32.419 2.864 1.00 70.20 C ATOM 1992 CZ PHE A 913 0.354 -31.278 2.621 1.00 15.32 C ATOM 0 H PHE A 913 -3.775 -34.424 6.245 1.00 50.21 H new ATOM 0 HA PHE A 913 -2.435 -35.031 3.658 1.00 4.44 H new ATOM 0 HB2 PHE A 913 -1.535 -33.760 6.238 1.00 14.21 H new ATOM 0 HB3 PHE A 913 -0.447 -34.955 5.561 1.00 14.21 H new ATOM 0 HD1 PHE A 913 -2.324 -31.888 4.594 1.00 60.32 H new ATOM 0 HD2 PHE A 913 1.083 -34.303 3.943 1.00 72.41 H new ATOM 0 HE1 PHE A 913 -1.402 -30.167 3.034 1.00 62.11 H new ATOM 0 HE2 PHE A 913 2.005 -32.582 2.383 1.00 70.20 H new ATOM 0 HZ PHE A 913 0.753 -30.534 1.947 1.00 15.32 H new ATOM 2002 N GLU A 914 -1.209 -37.075 5.031 1.00 55.35 N ATOM 2003 CA GLU A 914 -1.004 -38.452 5.444 1.00 23.41 C ATOM 2004 C GLU A 914 0.346 -38.599 6.150 1.00 12.32 C ATOM 2005 O GLU A 914 1.147 -37.665 6.166 1.00 73.24 O ATOM 2006 CB GLU A 914 -1.104 -39.404 4.250 1.00 2.03 C ATOM 2007 CG GLU A 914 0.185 -39.388 3.427 1.00 45.04 C ATOM 2008 CD GLU A 914 0.114 -40.395 2.277 1.00 23.21 C ATOM 2009 OE1 GLU A 914 -0.717 -41.315 2.309 1.00 23.04 O ATOM 2010 OE2 GLU A 914 0.961 -40.196 1.325 1.00 63.43 O ATOM 0 H GLU A 914 -0.403 -36.639 4.583 1.00 55.35 H new ATOM 0 HA GLU A 914 -1.792 -38.720 6.148 1.00 23.41 H new ATOM 0 HB2 GLU A 914 -1.302 -40.416 4.603 1.00 2.03 H new ATOM 0 HB3 GLU A 914 -1.946 -39.116 3.620 1.00 2.03 H new ATOM 0 HG2 GLU A 914 0.354 -38.387 3.029 1.00 45.04 H new ATOM 0 HG3 GLU A 914 1.034 -39.623 4.069 1.00 45.04 H new ATOM 2018 N LYS A 915 0.556 -39.777 6.717 1.00 21.44 N ATOM 2019 CA LYS A 915 1.795 -40.058 7.423 1.00 13.14 C ATOM 2020 C LYS A 915 2.932 -40.206 6.410 1.00 33.23 C ATOM 2021 O LYS A 915 2.823 -40.977 5.458 1.00 20.43 O ATOM 2022 CB LYS A 915 1.626 -41.271 8.340 1.00 31.03 C ATOM 2023 CG LYS A 915 1.067 -42.468 7.568 1.00 24.24 C ATOM 2024 CD LYS A 915 1.622 -43.783 8.120 1.00 71.20 C ATOM 2025 CE LYS A 915 2.562 -44.447 7.112 1.00 25.14 C ATOM 2026 NZ LYS A 915 3.081 -45.725 7.651 1.00 53.42 N ATOM 0 H LYS A 915 -0.111 -40.549 6.702 1.00 21.44 H new ATOM 0 HA LYS A 915 2.057 -39.227 8.078 1.00 13.14 H new ATOM 0 HB2 LYS A 915 2.587 -41.535 8.781 1.00 31.03 H new ATOM 0 HB3 LYS A 915 0.956 -41.019 9.162 1.00 31.03 H new ATOM 0 HG2 LYS A 915 -0.021 -42.472 7.634 1.00 24.24 H new ATOM 0 HG3 LYS A 915 1.322 -42.376 6.512 1.00 24.24 H new ATOM 0 HD2 LYS A 915 2.156 -43.594 9.051 1.00 71.20 H new ATOM 0 HD3 LYS A 915 0.800 -44.459 8.356 1.00 71.20 H new ATOM 0 HE2 LYS A 915 2.032 -44.628 6.177 1.00 25.14 H new ATOM 0 HE3 LYS A 915 3.392 -43.778 6.884 1.00 25.14 H new ATOM 0 HZ1 LYS A 915 3.649 -46.204 6.923 1.00 53.42 H new ATOM 0 HZ2 LYS A 915 3.674 -45.535 8.484 1.00 53.42 H new ATOM 0 HZ3 LYS A 915 2.285 -46.335 7.925 1.00 53.42 H new ATOM 2039 N ILE A 916 3.997 -39.455 6.650 1.00 75.11 N ATOM 2040 CA ILE A 916 5.152 -39.493 5.770 1.00 25.33 C ATOM 2041 C ILE A 916 6.425 -39.604 6.612 1.00 2.23 C ATOM 2042 O ILE A 916 6.523 -38.998 7.678 1.00 21.23 O ATOM 2043 CB ILE A 916 5.145 -38.292 4.823 1.00 75.14 C ATOM 2044 CG1 ILE A 916 3.899 -38.303 3.935 1.00 54.35 C ATOM 2045 CG2 ILE A 916 6.434 -38.234 4.001 1.00 52.42 C ATOM 2046 CD1 ILE A 916 3.386 -36.882 3.692 1.00 42.42 C ATOM 0 H ILE A 916 4.084 -38.817 7.441 1.00 75.11 H new ATOM 0 HA ILE A 916 5.114 -40.374 5.130 1.00 25.33 H new ATOM 0 HB ILE A 916 5.106 -37.383 5.423 1.00 75.14 H new ATOM 0 HG12 ILE A 916 4.132 -38.777 2.982 1.00 54.35 H new ATOM 0 HG13 ILE A 916 3.118 -38.900 4.406 1.00 54.35 H new ATOM 0 HG21 ILE A 916 6.403 -37.371 3.336 1.00 52.42 H new ATOM 0 HG22 ILE A 916 7.289 -38.145 4.671 1.00 52.42 H new ATOM 0 HG23 ILE A 916 6.530 -39.144 3.409 1.00 52.42 H new ATOM 0 HD11 ILE A 916 2.500 -36.918 3.058 1.00 42.42 H new ATOM 0 HD12 ILE A 916 3.131 -36.419 4.645 1.00 42.42 H new ATOM 0 HD13 ILE A 916 4.161 -36.295 3.199 1.00 42.42 H new ATOM 2058 N PRO A 917 7.393 -40.402 6.088 1.00 24.33 N ATOM 2059 CA PRO A 917 8.656 -40.600 6.780 1.00 72.01 C ATOM 2060 C PRO A 917 9.552 -39.367 6.648 1.00 65.32 C ATOM 2061 O PRO A 917 9.918 -38.977 5.540 1.00 24.32 O ATOM 2062 CB PRO A 917 9.260 -41.844 6.149 1.00 75.02 C ATOM 2063 CG PRO A 917 8.543 -42.027 4.821 1.00 71.32 C ATOM 2064 CD PRO A 917 7.312 -41.135 4.828 1.00 24.22 C ATOM 0 HA PRO A 917 8.530 -40.736 7.854 1.00 72.01 H new ATOM 0 HB2 PRO A 917 10.333 -41.725 6.000 1.00 75.02 H new ATOM 0 HB3 PRO A 917 9.122 -42.714 6.791 1.00 75.02 H new ATOM 0 HG2 PRO A 917 9.201 -41.763 3.993 1.00 71.32 H new ATOM 0 HG3 PRO A 917 8.258 -43.070 4.682 1.00 71.32 H new ATOM 0 HD2 PRO A 917 7.310 -40.457 3.975 1.00 24.22 H new ATOM 0 HD3 PRO A 917 6.396 -41.723 4.770 1.00 24.22 H new ATOM 2072 N PHE A 918 9.881 -38.788 7.793 1.00 34.34 N ATOM 2073 CA PHE A 918 10.728 -37.608 7.820 1.00 55.12 C ATOM 2074 C PHE A 918 12.021 -37.844 7.037 1.00 0.53 C ATOM 2075 O PHE A 918 12.992 -38.370 7.579 1.00 14.14 O ATOM 2076 CB PHE A 918 11.074 -37.339 9.285 1.00 0.35 C ATOM 2077 CG PHE A 918 11.401 -35.875 9.589 1.00 74.10 C ATOM 2078 CD1 PHE A 918 12.585 -35.344 9.183 1.00 60.32 C ATOM 2079 CD2 PHE A 918 10.506 -35.105 10.265 1.00 44.21 C ATOM 2080 CE1 PHE A 918 12.888 -33.986 9.464 1.00 1.14 C ATOM 2081 CE2 PHE A 918 10.810 -33.747 10.547 1.00 55.55 C ATOM 2082 CZ PHE A 918 11.994 -33.216 10.140 1.00 11.44 C ATOM 0 H PHE A 918 9.576 -39.115 8.710 1.00 34.34 H new ATOM 0 HA PHE A 918 10.208 -36.766 7.364 1.00 55.12 H new ATOM 0 HB2 PHE A 918 10.236 -37.650 9.909 1.00 0.35 H new ATOM 0 HB3 PHE A 918 11.927 -37.957 9.566 1.00 0.35 H new ATOM 0 HD1 PHE A 918 13.295 -35.956 8.646 1.00 60.32 H new ATOM 0 HD2 PHE A 918 9.565 -35.526 10.587 1.00 44.21 H new ATOM 0 HE1 PHE A 918 13.828 -33.564 9.141 1.00 1.14 H new ATOM 0 HE2 PHE A 918 10.101 -33.136 11.085 1.00 55.55 H new ATOM 0 HZ PHE A 918 12.224 -32.183 10.354 1.00 11.44 H new ATOM 2092 N ASP A 919 11.993 -37.442 5.775 1.00 73.31 N ATOM 2093 CA ASP A 919 13.151 -37.603 4.912 1.00 31.23 C ATOM 2094 C ASP A 919 14.282 -36.701 5.410 1.00 14.14 C ATOM 2095 O ASP A 919 14.082 -35.505 5.614 1.00 10.52 O ATOM 2096 CB ASP A 919 12.825 -37.202 3.472 1.00 2.34 C ATOM 2097 CG ASP A 919 12.323 -38.340 2.581 1.00 4.14 C ATOM 2098 OD1 ASP A 919 11.115 -38.607 2.507 1.00 71.05 O ATOM 2099 OD2 ASP A 919 13.244 -38.974 1.937 1.00 33.23 O ATOM 0 H ASP A 919 11.186 -37.005 5.329 1.00 73.31 H new ATOM 0 HA ASP A 919 13.446 -38.652 4.936 1.00 31.23 H new ATOM 0 HB2 ASP A 919 12.070 -36.416 3.492 1.00 2.34 H new ATOM 0 HB3 ASP A 919 13.719 -36.774 3.019 1.00 2.34 H new ATOM 2105 N PRO A 920 15.475 -37.325 5.597 1.00 23.40 N ATOM 2106 CA PRO A 920 16.638 -36.592 6.067 1.00 1.04 C ATOM 2107 C PRO A 920 17.227 -35.724 4.953 1.00 32.32 C ATOM 2108 O PRO A 920 18.080 -34.875 5.208 1.00 73.33 O ATOM 2109 CB PRO A 920 17.602 -37.658 6.562 1.00 31.02 C ATOM 2110 CG PRO A 920 17.144 -38.961 5.927 1.00 32.15 C ATOM 2111 CD PRO A 920 15.749 -38.741 5.366 1.00 53.20 C ATOM 0 HA PRO A 920 16.398 -35.890 6.865 1.00 1.04 H new ATOM 0 HB2 PRO A 920 18.627 -37.422 6.274 1.00 31.02 H new ATOM 0 HB3 PRO A 920 17.584 -37.726 7.650 1.00 31.02 H new ATOM 0 HG2 PRO A 920 17.831 -39.262 5.136 1.00 32.15 H new ATOM 0 HG3 PRO A 920 17.137 -39.763 6.665 1.00 32.15 H new ATOM 0 HD2 PRO A 920 15.706 -38.984 4.304 1.00 53.20 H new ATOM 0 HD3 PRO A 920 15.016 -39.373 5.868 1.00 53.20 H new ATOM 2119 N ALA A 921 16.748 -35.967 3.742 1.00 30.40 N ATOM 2120 CA ALA A 921 17.216 -35.219 2.588 1.00 40.30 C ATOM 2121 C ALA A 921 16.658 -33.795 2.649 1.00 64.24 C ATOM 2122 O ALA A 921 17.270 -32.862 2.131 1.00 64.44 O ATOM 2123 CB ALA A 921 16.811 -35.950 1.306 1.00 13.44 C ATOM 0 H ALA A 921 16.040 -36.672 3.535 1.00 30.40 H new ATOM 0 HA ALA A 921 18.304 -35.148 2.592 1.00 40.30 H new ATOM 0 HB1 ALA A 921 17.162 -35.388 0.440 1.00 13.44 H new ATOM 0 HB2 ALA A 921 17.256 -36.945 1.298 1.00 13.44 H new ATOM 0 HB3 ALA A 921 15.725 -36.038 1.265 1.00 13.44 H new ATOM 2129 N GLU A 922 15.503 -33.673 3.286 1.00 63.12 N ATOM 2130 CA GLU A 922 14.856 -32.379 3.421 1.00 62.11 C ATOM 2131 C GLU A 922 15.466 -31.600 4.588 1.00 44.34 C ATOM 2132 O GLU A 922 15.845 -30.439 4.433 1.00 34.54 O ATOM 2133 CB GLU A 922 13.345 -32.538 3.598 1.00 11.42 C ATOM 2134 CG GLU A 922 12.786 -33.585 2.633 1.00 24.21 C ATOM 2135 CD GLU A 922 11.604 -33.025 1.840 1.00 33.13 C ATOM 2136 OE1 GLU A 922 10.475 -33.519 1.979 1.00 13.34 O ATOM 2137 OE2 GLU A 922 11.889 -32.040 1.058 1.00 64.34 O ATOM 0 H GLU A 922 14.998 -34.449 3.714 1.00 63.12 H new ATOM 0 HA GLU A 922 15.024 -31.813 2.505 1.00 62.11 H new ATOM 0 HB2 GLU A 922 13.125 -32.830 4.625 1.00 11.42 H new ATOM 0 HB3 GLU A 922 12.853 -31.581 3.426 1.00 11.42 H new ATOM 0 HG2 GLU A 922 13.569 -33.907 1.946 1.00 24.21 H new ATOM 0 HG3 GLU A 922 12.469 -34.466 3.191 1.00 24.21 H new ATOM 2145 N MET A 923 15.543 -32.269 5.729 1.00 44.24 N ATOM 2146 CA MET A 923 16.101 -31.653 6.921 1.00 62.41 C ATOM 2147 C MET A 923 17.317 -30.791 6.575 1.00 20.13 C ATOM 2148 O MET A 923 17.421 -29.650 7.023 1.00 73.12 O ATOM 2149 CB MET A 923 16.513 -32.743 7.913 1.00 42.12 C ATOM 2150 CG MET A 923 17.226 -32.140 9.125 1.00 52.30 C ATOM 2151 SD MET A 923 17.268 -33.324 10.460 1.00 43.21 S ATOM 2152 CE MET A 923 15.547 -33.322 10.931 1.00 14.41 C ATOM 0 H MET A 923 15.228 -33.231 5.853 1.00 44.24 H new ATOM 0 HA MET A 923 15.340 -31.012 7.367 1.00 62.41 H new ATOM 0 HB2 MET A 923 15.631 -33.293 8.242 1.00 42.12 H new ATOM 0 HB3 MET A 923 17.170 -33.460 7.420 1.00 42.12 H new ATOM 0 HG2 MET A 923 18.241 -31.850 8.853 1.00 52.30 H new ATOM 0 HG3 MET A 923 16.711 -31.235 9.447 1.00 52.30 H new ATOM 0 HE1 MET A 923 15.466 -33.221 12.013 1.00 14.41 H new ATOM 0 HE2 MET A 923 15.039 -32.487 10.449 1.00 14.41 H new ATOM 0 HE3 MET A 923 15.083 -34.258 10.619 1.00 14.41 H new ATOM 2162 N SER A 924 18.206 -31.370 5.782 1.00 45.21 N ATOM 2163 CA SER A 924 19.411 -30.669 5.371 1.00 0.42 C ATOM 2164 C SER A 924 20.116 -31.447 4.259 1.00 62.22 C ATOM 2165 O SER A 924 19.818 -32.618 4.031 1.00 73.53 O ATOM 2166 CB SER A 924 20.357 -30.460 6.555 1.00 45.30 C ATOM 2167 OG SER A 924 19.840 -29.519 7.492 1.00 23.14 O ATOM 0 H SER A 924 18.116 -32.317 5.413 1.00 45.21 H new ATOM 0 HA SER A 924 19.124 -29.688 4.993 1.00 0.42 H new ATOM 0 HB2 SER A 924 20.528 -31.413 7.055 1.00 45.30 H new ATOM 0 HB3 SER A 924 21.324 -30.114 6.190 1.00 45.30 H new ATOM 0 HG SER A 924 18.998 -29.150 7.154 1.00 23.14 H new ATOM 2173 N LYS A 925 21.039 -30.765 3.596 1.00 75.11 N ATOM 2174 CA LYS A 925 21.789 -31.378 2.513 1.00 74.11 C ATOM 2175 C LYS A 925 22.618 -32.539 3.066 1.00 41.31 C ATOM 2176 O LYS A 925 22.335 -33.701 2.779 1.00 14.24 O ATOM 2177 CB LYS A 925 22.618 -30.327 1.774 1.00 45.44 C ATOM 2178 CG LYS A 925 23.057 -30.840 0.401 1.00 61.23 C ATOM 2179 CD LYS A 925 24.258 -30.050 -0.122 1.00 41.44 C ATOM 2180 CE LYS A 925 23.810 -28.745 -0.784 1.00 14.01 C ATOM 2181 NZ LYS A 925 23.081 -29.025 -2.041 1.00 62.24 N ATOM 0 H LYS A 925 21.284 -29.794 3.788 1.00 75.11 H new ATOM 0 HA LYS A 925 21.111 -31.796 1.769 1.00 74.11 H new ATOM 0 HB2 LYS A 925 22.033 -29.415 1.655 1.00 45.44 H new ATOM 0 HB3 LYS A 925 23.495 -30.068 2.367 1.00 45.44 H new ATOM 0 HG2 LYS A 925 23.314 -31.897 0.469 1.00 61.23 H new ATOM 0 HG3 LYS A 925 22.229 -30.758 -0.303 1.00 61.23 H new ATOM 0 HD2 LYS A 925 24.939 -29.830 0.700 1.00 41.44 H new ATOM 0 HD3 LYS A 925 24.811 -30.655 -0.840 1.00 41.44 H new ATOM 0 HE2 LYS A 925 23.169 -28.186 -0.102 1.00 14.01 H new ATOM 0 HE3 LYS A 925 24.678 -28.119 -0.992 1.00 14.01 H new ATOM 0 HZ1 LYS A 925 23.153 -28.203 -2.674 1.00 62.24 H new ATOM 0 HZ2 LYS A 925 23.497 -29.857 -2.505 1.00 62.24 H new ATOM 0 HZ3 LYS A 925 22.080 -29.211 -1.828 1.00 62.24 H new TER 2194 LYS A 925