USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1094 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 806 LYS NZ :NH3+ -152:sc= -0.246 (180deg=-0.297) USER MOD Set 1.2: A 905 TYR OH : rot 70:sc= -0.66 USER MOD Set 1.3: A 912 HIS : no HD1:sc= -0.296 K(o=-1.2,f=-0.67) USER MOD Set 2.1: A 814 LYS NZ :NH3+ -178:sc= -7.94! (180deg=-3.73!) USER MOD Set 2.2: A 902 GLN : amide:sc= -6.56! K(o=-14!,f=-4.5) USER MOD Set 3.1: A 830 HIS : no HE2:sc= -12.9! C(o=-17!,f=-25!) USER MOD Set 3.2: A 888 LYS NZ :NH3+ -140:sc= -3.64! (180deg=-4.74!) USER MOD Set 4.1: A 829 CYS SG : rot -77:sc= 0.306 USER MOD Set 4.2: A 879 TYR OH : rot 29:sc= -0.447! USER MOD Set 5.1: A 813 CYS SG : rot 180:sc= 0.0348 USER MOD Set 5.2: A 868 ASN : amide:sc= -0.315 X(o=-0.28,f=0.037) USER MOD Single : A 793 SER OG : rot 180:sc= 0 USER MOD Single : A 794 GLN : amide:sc=-0.00862 K(o=-0.0086,f=-1.1) USER MOD Single : A 796 LYS NZ :NH3+ 148:sc= -0.257 (180deg=-1.91!) USER MOD Single : A 798 LYS NZ :NH3+ 160:sc= -0.341 (180deg=-1.03) USER MOD Single : A 803 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 805 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.22) USER MOD Single : A 807 LYS NZ :NH3+ -162:sc= 0.871 (180deg=0.456) USER MOD Single : A 810 CYS SG : rot 129:sc= -0.855 USER MOD Single : A 812 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 CYS SG : rot -160:sc= 0 USER MOD Single : A 819 TYR OH : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 147:sc= 1.03 USER MOD Single : A 831 TYR OH : rot -30:sc= -1.27 USER MOD Single : A 832 THR OG1 : rot 114:sc= 0.491 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 CYS SG : rot 61:sc= -0.0981 USER MOD Single : A 844 SER OG : rot 10:sc= 0.849 USER MOD Single : A 847 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 849 LYS NZ :NH3+ -166:sc=-0.00997 (180deg=-0.221) USER MOD Single : A 851 LYS NZ :NH3+ 163:sc= -0.0178 (180deg=-0.226) USER MOD Single : A 852 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.4!) USER MOD Single : A 854 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 858 LYS NZ :NH3+ 157:sc= -0.0852 (180deg=-0.835) USER MOD Single : A 861 LYS NZ :NH3+ 137:sc= -1.93 (180deg=-5.13!) USER MOD Single : A 864 CYS SG : rot 170:sc= -3.71! USER MOD Single : A 867 GLN : amide:sc=-0.00278 X(o=-0.0028,f=-0.4) USER MOD Single : A 869 CYS SG : rot 180:sc= -0.789 USER MOD Single : A 870 SER OG : rot 180:sc= 0.00305 USER MOD Single : A 871 HIS : no HE2:sc= -8.3! C(o=-8.3!,f=-10!) USER MOD Single : A 876 HIS : no HD1:sc= -0.0318 K(o=-0.032,f=-1.7) USER MOD Single : A 878 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 LYS NZ :NH3+ 147:sc= -0.135 (180deg=-0.652) USER MOD Single : A 881 THR OG1 : rot -89:sc= 0.00234 USER MOD Single : A 891 SER OG : rot -162:sc= 1.29 USER MOD Single : A 899 THR OG1 : rot -163:sc= -8.41! USER MOD Single : A 903 THR OG1 : rot 180:sc= 0 USER MOD Single : A 906 SER OG : rot 180:sc= 0 USER MOD Single : A 907 LYS NZ :NH3+ -165:sc= -2.22! (180deg=-2.37!) USER MOD Single : A 909 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 MET CE :methyl 137:sc= -9.32! (180deg=-14.5!) USER MOD Single : A 924 SER OG : rot 180:sc= -0.0802 USER MOD Single : A 925 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 -25.096 -16.791 10.061 1.00 12.53 N ATOM 2 CA ASP A 792 -25.887 -17.875 9.505 1.00 62.25 C ATOM 3 C ASP A 792 -26.272 -17.532 8.064 1.00 31.41 C ATOM 4 O ASP A 792 -27.426 -17.207 7.787 1.00 45.11 O ATOM 5 CB ASP A 792 -27.176 -18.083 10.302 1.00 2.21 C ATOM 6 CG ASP A 792 -27.851 -16.798 10.786 1.00 50.22 C ATOM 7 OD1 ASP A 792 -27.757 -16.433 11.967 1.00 12.21 O ATOM 8 OD2 ASP A 792 -28.505 -16.152 9.881 1.00 42.42 O ATOM 0 HA ASP A 792 -25.288 -18.785 9.546 1.00 62.25 H new ATOM 0 HB2 ASP A 792 -27.883 -18.636 9.683 1.00 2.21 H new ATOM 0 HB3 ASP A 792 -26.954 -18.707 11.168 1.00 2.21 H new ATOM 14 N SER A 793 -25.285 -17.617 7.185 1.00 25.20 N ATOM 15 CA SER A 793 -25.506 -17.320 5.780 1.00 44.00 C ATOM 16 C SER A 793 -25.532 -18.617 4.969 1.00 44.14 C ATOM 17 O SER A 793 -24.729 -19.518 5.206 1.00 22.10 O ATOM 18 CB SER A 793 -24.428 -16.378 5.240 1.00 0.31 C ATOM 19 OG SER A 793 -24.403 -15.137 5.942 1.00 71.54 O ATOM 0 H SER A 793 -24.330 -17.887 7.418 1.00 25.20 H new ATOM 0 HA SER A 793 -26.469 -16.819 5.684 1.00 44.00 H new ATOM 0 HB2 SER A 793 -23.453 -16.859 5.319 1.00 0.31 H new ATOM 0 HB3 SER A 793 -24.606 -16.192 4.181 1.00 0.31 H new ATOM 0 HG SER A 793 -23.701 -14.564 5.569 1.00 71.54 H new ATOM 25 N GLN A 794 -26.463 -18.670 4.028 1.00 63.04 N ATOM 26 CA GLN A 794 -26.604 -19.842 3.180 1.00 41.42 C ATOM 27 C GLN A 794 -25.580 -19.802 2.044 1.00 5.50 C ATOM 28 O GLN A 794 -25.491 -20.736 1.250 1.00 73.44 O ATOM 29 CB GLN A 794 -28.028 -19.952 2.630 1.00 25.53 C ATOM 30 CG GLN A 794 -28.917 -20.766 3.573 1.00 51.14 C ATOM 31 CD GLN A 794 -28.807 -22.263 3.275 1.00 41.41 C ATOM 32 OE1 GLN A 794 -27.952 -22.712 2.530 1.00 61.32 O ATOM 33 NE2 GLN A 794 -29.717 -23.006 3.897 1.00 32.40 N ATOM 0 H GLN A 794 -27.127 -17.921 3.834 1.00 63.04 H new ATOM 0 HA GLN A 794 -26.413 -20.729 3.784 1.00 41.42 H new ATOM 0 HB2 GLN A 794 -28.449 -18.955 2.497 1.00 25.53 H new ATOM 0 HB3 GLN A 794 -28.007 -20.423 1.647 1.00 25.53 H new ATOM 0 HG2 GLN A 794 -28.628 -20.575 4.606 1.00 51.14 H new ATOM 0 HG3 GLN A 794 -29.954 -20.446 3.468 1.00 51.14 H new ATOM 0 HE21 GLN A 794 -30.405 -22.565 4.508 1.00 32.40 H new ATOM 0 HE22 GLN A 794 -29.727 -24.017 3.764 1.00 32.40 H new ATOM 42 N GLU A 795 -24.831 -18.709 2.003 1.00 20.14 N ATOM 43 CA GLU A 795 -23.816 -18.535 0.978 1.00 11.12 C ATOM 44 C GLU A 795 -22.720 -19.591 1.132 1.00 61.15 C ATOM 45 O GLU A 795 -22.298 -19.895 2.246 1.00 25.20 O ATOM 46 CB GLU A 795 -23.228 -17.123 1.023 1.00 23.44 C ATOM 47 CG GLU A 795 -22.762 -16.679 -0.365 1.00 13.44 C ATOM 48 CD GLU A 795 -21.858 -15.448 -0.271 1.00 52.34 C ATOM 49 OE1 GLU A 795 -22.205 -14.382 -0.803 1.00 22.24 O ATOM 50 OE2 GLU A 795 -20.760 -15.626 0.382 1.00 14.12 O ATOM 0 H GLU A 795 -24.907 -17.935 2.663 1.00 20.14 H new ATOM 0 HA GLU A 795 -24.285 -18.666 0.003 1.00 11.12 H new ATOM 0 HB2 GLU A 795 -23.976 -16.425 1.400 1.00 23.44 H new ATOM 0 HB3 GLU A 795 -22.389 -17.097 1.718 1.00 23.44 H new ATOM 0 HG2 GLU A 795 -22.224 -17.494 -0.850 1.00 13.44 H new ATOM 0 HG3 GLU A 795 -23.627 -16.453 -0.988 1.00 13.44 H new ATOM 58 N LYS A 796 -22.290 -20.121 -0.004 1.00 74.41 N ATOM 59 CA LYS A 796 -21.251 -21.137 -0.010 1.00 74.20 C ATOM 60 C LYS A 796 -20.086 -20.663 -0.880 1.00 5.01 C ATOM 61 O LYS A 796 -20.249 -19.771 -1.710 1.00 42.35 O ATOM 62 CB LYS A 796 -21.827 -22.489 -0.436 1.00 65.43 C ATOM 63 CG LYS A 796 -22.587 -23.149 0.716 1.00 71.45 C ATOM 64 CD LYS A 796 -21.663 -24.049 1.539 1.00 61.14 C ATOM 65 CE LYS A 796 -21.236 -23.357 2.835 1.00 75.41 C ATOM 66 NZ LYS A 796 -22.419 -22.841 3.560 1.00 41.11 N ATOM 0 H LYS A 796 -22.642 -19.866 -0.927 1.00 74.41 H new ATOM 0 HA LYS A 796 -20.858 -21.287 0.996 1.00 74.20 H new ATOM 0 HB2 LYS A 796 -22.495 -22.352 -1.286 1.00 65.43 H new ATOM 0 HB3 LYS A 796 -21.021 -23.144 -0.767 1.00 65.43 H new ATOM 0 HG2 LYS A 796 -23.019 -22.381 1.358 1.00 71.45 H new ATOM 0 HG3 LYS A 796 -23.415 -23.737 0.320 1.00 71.45 H new ATOM 0 HD2 LYS A 796 -22.173 -24.984 1.772 1.00 61.14 H new ATOM 0 HD3 LYS A 796 -20.781 -24.305 0.952 1.00 61.14 H new ATOM 0 HE2 LYS A 796 -20.692 -24.059 3.467 1.00 75.41 H new ATOM 0 HE3 LYS A 796 -20.554 -22.537 2.609 1.00 75.41 H new ATOM 0 HZ1 LYS A 796 -22.242 -22.878 4.584 1.00 41.11 H new ATOM 0 HZ2 LYS A 796 -22.599 -21.857 3.275 1.00 41.11 H new ATOM 0 HZ3 LYS A 796 -23.249 -23.425 3.331 1.00 41.11 H new ATOM 79 N PRO A 797 -18.904 -21.298 -0.653 1.00 52.43 N ATOM 80 CA PRO A 797 -17.711 -20.950 -1.407 1.00 14.13 C ATOM 81 C PRO A 797 -17.779 -21.509 -2.829 1.00 62.22 C ATOM 82 O PRO A 797 -18.722 -22.218 -3.177 1.00 63.23 O ATOM 83 CB PRO A 797 -16.556 -21.519 -0.599 1.00 12.41 C ATOM 84 CG PRO A 797 -17.167 -22.559 0.326 1.00 2.22 C ATOM 85 CD PRO A 797 -18.674 -22.359 0.322 1.00 5.03 C ATOM 0 HA PRO A 797 -17.595 -19.874 -1.539 1.00 14.13 H new ATOM 0 HB2 PRO A 797 -15.807 -21.968 -1.251 1.00 12.41 H new ATOM 0 HB3 PRO A 797 -16.055 -20.736 -0.030 1.00 12.41 H new ATOM 0 HG2 PRO A 797 -16.915 -23.565 -0.011 1.00 2.22 H new ATOM 0 HG3 PRO A 797 -16.770 -22.452 1.336 1.00 2.22 H new ATOM 0 HD2 PRO A 797 -19.194 -23.275 0.041 1.00 5.03 H new ATOM 0 HD3 PRO A 797 -19.039 -22.075 1.309 1.00 5.03 H new ATOM 93 N LYS A 798 -16.766 -21.169 -3.613 1.00 71.30 N ATOM 94 CA LYS A 798 -16.698 -21.629 -4.990 1.00 14.31 C ATOM 95 C LYS A 798 -15.634 -22.721 -5.107 1.00 22.34 C ATOM 96 O LYS A 798 -14.702 -22.773 -4.305 1.00 71.33 O ATOM 97 CB LYS A 798 -16.475 -20.449 -5.938 1.00 54.11 C ATOM 98 CG LYS A 798 -15.085 -19.842 -5.740 1.00 42.04 C ATOM 99 CD LYS A 798 -14.057 -20.519 -6.649 1.00 41.24 C ATOM 100 CE LYS A 798 -14.487 -20.443 -8.116 1.00 15.24 C ATOM 101 NZ LYS A 798 -15.101 -19.128 -8.408 1.00 73.20 N ATOM 0 H LYS A 798 -15.986 -20.580 -3.321 1.00 71.30 H new ATOM 0 HA LYS A 798 -17.646 -22.075 -5.290 1.00 14.31 H new ATOM 0 HB2 LYS A 798 -16.587 -20.781 -6.970 1.00 54.11 H new ATOM 0 HB3 LYS A 798 -17.236 -19.689 -5.763 1.00 54.11 H new ATOM 0 HG2 LYS A 798 -15.117 -18.774 -5.954 1.00 42.04 H new ATOM 0 HG3 LYS A 798 -14.782 -19.950 -4.699 1.00 42.04 H new ATOM 0 HD2 LYS A 798 -13.086 -20.040 -6.526 1.00 41.24 H new ATOM 0 HD3 LYS A 798 -13.937 -21.562 -6.355 1.00 41.24 H new ATOM 0 HE2 LYS A 798 -13.624 -20.600 -8.763 1.00 15.24 H new ATOM 0 HE3 LYS A 798 -15.198 -21.240 -8.335 1.00 15.24 H new ATOM 0 HZ1 LYS A 798 -15.077 -18.954 -9.433 1.00 73.20 H new ATOM 0 HZ2 LYS A 798 -16.088 -19.125 -8.079 1.00 73.20 H new ATOM 0 HZ3 LYS A 798 -14.570 -18.380 -7.918 1.00 73.20 H new ATOM 114 N PRO A 799 -15.812 -23.590 -6.138 1.00 12.22 N ATOM 115 CA PRO A 799 -14.878 -24.678 -6.370 1.00 21.22 C ATOM 116 C PRO A 799 -13.576 -24.161 -6.985 1.00 23.42 C ATOM 117 O PRO A 799 -13.588 -23.213 -7.768 1.00 14.23 O ATOM 118 CB PRO A 799 -15.620 -25.647 -7.276 1.00 43.14 C ATOM 119 CG PRO A 799 -16.759 -24.851 -7.893 1.00 62.50 C ATOM 120 CD PRO A 799 -16.904 -23.559 -7.107 1.00 1.13 C ATOM 0 HA PRO A 799 -14.570 -25.172 -5.448 1.00 21.22 H new ATOM 0 HB2 PRO A 799 -14.960 -26.045 -8.046 1.00 43.14 H new ATOM 0 HB3 PRO A 799 -16.000 -26.498 -6.710 1.00 43.14 H new ATOM 0 HG2 PRO A 799 -16.552 -24.638 -8.942 1.00 62.50 H new ATOM 0 HG3 PRO A 799 -17.686 -25.423 -7.861 1.00 62.50 H new ATOM 0 HD2 PRO A 799 -16.830 -22.689 -7.759 1.00 1.13 H new ATOM 0 HD3 PRO A 799 -17.873 -23.504 -6.610 1.00 1.13 H new ATOM 128 N VAL A 800 -12.483 -24.808 -6.607 1.00 61.33 N ATOM 129 CA VAL A 800 -11.175 -24.426 -7.112 1.00 20.20 C ATOM 130 C VAL A 800 -10.664 -25.510 -8.063 1.00 45.01 C ATOM 131 O VAL A 800 -10.885 -26.698 -7.833 1.00 2.21 O ATOM 132 CB VAL A 800 -10.222 -24.156 -5.946 1.00 33.34 C ATOM 133 CG1 VAL A 800 -8.794 -23.928 -6.445 1.00 74.44 C ATOM 134 CG2 VAL A 800 -10.705 -22.972 -5.106 1.00 51.21 C ATOM 0 H VAL A 800 -12.476 -25.594 -5.957 1.00 61.33 H new ATOM 0 HA VAL A 800 -11.241 -23.499 -7.681 1.00 20.20 H new ATOM 0 HB VAL A 800 -10.216 -25.040 -5.308 1.00 33.34 H new ATOM 0 HG11 VAL A 800 -8.138 -23.738 -5.596 1.00 74.44 H new ATOM 0 HG12 VAL A 800 -8.450 -24.813 -6.979 1.00 74.44 H new ATOM 0 HG13 VAL A 800 -8.776 -23.069 -7.116 1.00 74.44 H new ATOM 0 HG21 VAL A 800 -10.010 -22.801 -4.284 1.00 51.21 H new ATOM 0 HG22 VAL A 800 -10.755 -22.080 -5.730 1.00 51.21 H new ATOM 0 HG23 VAL A 800 -11.695 -23.190 -4.705 1.00 51.21 H new ATOM 144 N PRO A 801 -9.971 -25.050 -9.140 1.00 13.04 N ATOM 145 CA PRO A 801 -9.427 -25.967 -10.127 1.00 4.44 C ATOM 146 C PRO A 801 -8.184 -26.678 -9.588 1.00 3.44 C ATOM 147 O PRO A 801 -8.286 -27.751 -8.995 1.00 41.23 O ATOM 148 CB PRO A 801 -9.137 -25.106 -11.345 1.00 40.24 C ATOM 149 CG PRO A 801 -9.093 -23.672 -10.842 1.00 62.21 C ATOM 150 CD PRO A 801 -9.690 -23.650 -9.445 1.00 21.24 C ATOM 0 HA PRO A 801 -10.117 -26.772 -10.380 1.00 4.44 H new ATOM 0 HB2 PRO A 801 -8.190 -25.387 -11.805 1.00 40.24 H new ATOM 0 HB3 PRO A 801 -9.910 -25.230 -12.104 1.00 40.24 H new ATOM 0 HG2 PRO A 801 -8.067 -23.305 -10.824 1.00 62.21 H new ATOM 0 HG3 PRO A 801 -9.655 -23.017 -11.508 1.00 62.21 H new ATOM 0 HD2 PRO A 801 -8.995 -23.219 -8.724 1.00 21.24 H new ATOM 0 HD3 PRO A 801 -10.598 -23.048 -9.412 1.00 21.24 H new ATOM 158 N ASP A 802 -7.038 -26.050 -9.812 1.00 74.51 N ATOM 159 CA ASP A 802 -5.777 -26.610 -9.356 1.00 51.42 C ATOM 160 C ASP A 802 -5.583 -26.278 -7.875 1.00 70.41 C ATOM 161 O ASP A 802 -6.458 -25.683 -7.249 1.00 11.23 O ATOM 162 CB ASP A 802 -4.599 -26.016 -10.132 1.00 33.24 C ATOM 163 CG ASP A 802 -4.708 -24.519 -10.428 1.00 35.04 C ATOM 164 OD1 ASP A 802 -4.652 -23.682 -9.515 1.00 1.23 O ATOM 165 OD2 ASP A 802 -4.860 -24.219 -11.673 1.00 62.21 O ATOM 0 H ASP A 802 -6.957 -25.160 -10.303 1.00 74.51 H new ATOM 0 HA ASP A 802 -5.808 -27.688 -9.516 1.00 51.42 H new ATOM 0 HB2 ASP A 802 -3.684 -26.193 -9.566 1.00 33.24 H new ATOM 0 HB3 ASP A 802 -4.499 -26.551 -11.076 1.00 33.24 H new ATOM 171 N LYS A 803 -4.431 -26.679 -7.358 1.00 43.22 N ATOM 172 CA LYS A 803 -4.111 -26.432 -5.962 1.00 44.05 C ATOM 173 C LYS A 803 -2.592 -26.454 -5.781 1.00 4.34 C ATOM 174 O LYS A 803 -1.886 -27.155 -6.504 1.00 51.34 O ATOM 175 CB LYS A 803 -4.852 -27.420 -5.060 1.00 13.02 C ATOM 176 CG LYS A 803 -4.011 -28.673 -4.811 1.00 24.15 C ATOM 177 CD LYS A 803 -4.901 -29.882 -4.517 1.00 20.22 C ATOM 178 CE LYS A 803 -4.068 -31.073 -4.037 1.00 13.53 C ATOM 179 NZ LYS A 803 -3.312 -31.664 -5.163 1.00 51.01 N ATOM 0 H LYS A 803 -3.708 -27.173 -7.881 1.00 43.22 H new ATOM 0 HA LYS A 803 -4.454 -25.442 -5.661 1.00 44.05 H new ATOM 0 HB2 LYS A 803 -5.089 -26.942 -4.109 1.00 13.02 H new ATOM 0 HB3 LYS A 803 -5.799 -27.699 -5.522 1.00 13.02 H new ATOM 0 HG2 LYS A 803 -3.390 -28.878 -5.683 1.00 24.15 H new ATOM 0 HG3 LYS A 803 -3.336 -28.501 -3.972 1.00 24.15 H new ATOM 0 HD2 LYS A 803 -5.638 -29.620 -3.758 1.00 20.22 H new ATOM 0 HD3 LYS A 803 -5.453 -30.158 -5.415 1.00 20.22 H new ATOM 0 HE2 LYS A 803 -3.378 -30.751 -3.257 1.00 13.53 H new ATOM 0 HE3 LYS A 803 -4.720 -31.826 -3.594 1.00 13.53 H new ATOM 0 HZ1 LYS A 803 -2.752 -32.471 -4.820 1.00 51.01 H new ATOM 0 HZ2 LYS A 803 -3.976 -31.989 -5.894 1.00 51.01 H new ATOM 0 HZ3 LYS A 803 -2.675 -30.948 -5.567 1.00 51.01 H new ATOM 192 N GLU A 804 -2.133 -25.677 -4.810 1.00 22.52 N ATOM 193 CA GLU A 804 -0.710 -25.599 -4.524 1.00 14.34 C ATOM 194 C GLU A 804 -0.475 -25.555 -3.013 1.00 4.25 C ATOM 195 O GLU A 804 -1.411 -25.711 -2.230 1.00 3.31 O ATOM 196 CB GLU A 804 -0.079 -24.387 -5.213 1.00 23.55 C ATOM 197 CG GLU A 804 -0.291 -24.445 -6.727 1.00 21.43 C ATOM 198 CD GLU A 804 0.721 -25.384 -7.387 1.00 22.14 C ATOM 199 OE1 GLU A 804 1.933 -25.127 -7.331 1.00 21.34 O ATOM 200 OE2 GLU A 804 0.209 -26.413 -7.973 1.00 1.23 O ATOM 0 H GLU A 804 -2.721 -25.096 -4.212 1.00 22.52 H new ATOM 0 HA GLU A 804 -0.229 -26.493 -4.921 1.00 14.34 H new ATOM 0 HB2 GLU A 804 -0.515 -23.470 -4.816 1.00 23.55 H new ATOM 0 HB3 GLU A 804 0.988 -24.354 -4.993 1.00 23.55 H new ATOM 0 HG2 GLU A 804 -1.303 -24.786 -6.943 1.00 21.43 H new ATOM 0 HG3 GLU A 804 -0.194 -23.445 -7.150 1.00 21.43 H new ATOM 208 N ASN A 805 0.781 -25.342 -2.648 1.00 1.23 N ATOM 209 CA ASN A 805 1.152 -25.275 -1.244 1.00 73.42 C ATOM 210 C ASN A 805 0.377 -24.142 -0.570 1.00 15.24 C ATOM 211 O ASN A 805 -0.186 -23.282 -1.245 1.00 75.04 O ATOM 212 CB ASN A 805 2.646 -24.988 -1.082 1.00 73.41 C ATOM 213 CG ASN A 805 2.955 -23.516 -1.361 1.00 34.10 C ATOM 214 OD1 ASN A 805 3.241 -23.116 -2.477 1.00 41.33 O ATOM 215 ND2 ASN A 805 2.881 -22.735 -0.287 1.00 72.01 N ATOM 0 H ASN A 805 1.555 -25.214 -3.300 1.00 1.23 H new ATOM 0 HA ASN A 805 0.918 -26.237 -0.787 1.00 73.42 H new ATOM 0 HB2 ASN A 805 2.962 -25.244 -0.071 1.00 73.41 H new ATOM 0 HB3 ASN A 805 3.217 -25.619 -1.763 1.00 73.41 H new ATOM 0 HD21 ASN A 805 3.069 -21.736 -0.369 1.00 72.01 H new ATOM 0 HD22 ASN A 805 2.636 -23.135 0.619 1.00 72.01 H new ATOM 222 N LYS A 806 0.372 -24.177 0.755 1.00 64.12 N ATOM 223 CA LYS A 806 -0.324 -23.163 1.528 1.00 33.43 C ATOM 224 C LYS A 806 0.664 -22.484 2.478 1.00 1.11 C ATOM 225 O LYS A 806 1.622 -23.107 2.933 1.00 62.24 O ATOM 226 CB LYS A 806 -1.539 -23.769 2.235 1.00 63.22 C ATOM 227 CG LYS A 806 -1.962 -22.912 3.430 1.00 63.42 C ATOM 228 CD LYS A 806 -3.455 -23.077 3.721 1.00 24.14 C ATOM 229 CE LYS A 806 -3.767 -24.497 4.197 1.00 61.42 C ATOM 230 NZ LYS A 806 -5.152 -24.578 4.713 1.00 25.34 N ATOM 0 H LYS A 806 0.839 -24.892 1.312 1.00 64.12 H new ATOM 0 HA LYS A 806 -0.719 -22.388 0.871 1.00 33.43 H new ATOM 0 HB2 LYS A 806 -2.368 -23.854 1.532 1.00 63.22 H new ATOM 0 HB3 LYS A 806 -1.302 -24.778 2.572 1.00 63.22 H new ATOM 0 HG2 LYS A 806 -1.383 -23.196 4.309 1.00 63.42 H new ATOM 0 HG3 LYS A 806 -1.741 -21.864 3.227 1.00 63.42 H new ATOM 0 HD2 LYS A 806 -3.763 -22.359 4.481 1.00 24.14 H new ATOM 0 HD3 LYS A 806 -4.031 -22.856 2.822 1.00 24.14 H new ATOM 0 HE2 LYS A 806 -3.638 -25.200 3.374 1.00 61.42 H new ATOM 0 HE3 LYS A 806 -3.064 -24.788 4.978 1.00 61.42 H new ATOM 0 HZ1 LYS A 806 -5.212 -25.329 5.430 1.00 25.34 H new ATOM 0 HZ2 LYS A 806 -5.417 -23.668 5.142 1.00 25.34 H new ATOM 0 HZ3 LYS A 806 -5.802 -24.794 3.930 1.00 25.34 H new ATOM 243 N LYS A 807 0.397 -21.215 2.750 1.00 43.12 N ATOM 244 CA LYS A 807 1.251 -20.444 3.637 1.00 24.03 C ATOM 245 C LYS A 807 0.652 -20.448 5.045 1.00 3.11 C ATOM 246 O LYS A 807 -0.566 -20.497 5.205 1.00 73.21 O ATOM 247 CB LYS A 807 1.485 -19.042 3.072 1.00 55.50 C ATOM 248 CG LYS A 807 2.310 -18.191 4.039 1.00 13.44 C ATOM 249 CD LYS A 807 2.474 -16.764 3.512 1.00 53.22 C ATOM 250 CE LYS A 807 1.142 -16.011 3.545 1.00 42.24 C ATOM 251 NZ LYS A 807 1.370 -14.565 3.766 1.00 72.24 N ATOM 0 H LYS A 807 -0.399 -20.702 2.372 1.00 43.12 H new ATOM 0 HA LYS A 807 2.238 -20.902 3.708 1.00 24.03 H new ATOM 0 HB2 LYS A 807 2.001 -19.114 2.114 1.00 55.50 H new ATOM 0 HB3 LYS A 807 0.527 -18.558 2.883 1.00 55.50 H new ATOM 0 HG2 LYS A 807 1.824 -18.168 5.014 1.00 13.44 H new ATOM 0 HG3 LYS A 807 3.291 -18.644 4.182 1.00 13.44 H new ATOM 0 HD2 LYS A 807 3.211 -16.233 4.114 1.00 53.22 H new ATOM 0 HD3 LYS A 807 2.855 -16.791 2.491 1.00 53.22 H new ATOM 0 HE2 LYS A 807 0.609 -16.162 2.606 1.00 42.24 H new ATOM 0 HE3 LYS A 807 0.511 -16.411 4.338 1.00 42.24 H new ATOM 0 HZ1 LYS A 807 0.487 -14.119 4.087 1.00 72.24 H new ATOM 0 HZ2 LYS A 807 2.106 -14.436 4.490 1.00 72.24 H new ATOM 0 HZ3 LYS A 807 1.678 -14.122 2.877 1.00 72.24 H new ATOM 264 N LEU A 808 1.537 -20.395 6.030 1.00 32.22 N ATOM 265 CA LEU A 808 1.111 -20.392 7.419 1.00 34.03 C ATOM 266 C LEU A 808 1.535 -19.077 8.076 1.00 43.25 C ATOM 267 O LEU A 808 2.462 -18.417 7.609 1.00 45.04 O ATOM 268 CB LEU A 808 1.631 -21.636 8.142 1.00 32.12 C ATOM 269 CG LEU A 808 0.971 -22.961 7.756 1.00 62.55 C ATOM 270 CD1 LEU A 808 1.721 -23.631 6.603 1.00 65.42 C ATOM 271 CD2 LEU A 808 0.843 -23.884 8.969 1.00 73.50 C ATOM 0 H LEU A 808 2.547 -20.354 5.893 1.00 32.22 H new ATOM 0 HA LEU A 808 0.024 -20.445 7.484 1.00 34.03 H new ATOM 0 HB2 LEU A 808 2.702 -21.719 7.956 1.00 32.12 H new ATOM 0 HB3 LEU A 808 1.504 -21.488 9.214 1.00 32.12 H new ATOM 0 HG LEU A 808 -0.039 -22.750 7.404 1.00 62.55 H new ATOM 0 HD11 LEU A 808 1.232 -24.571 6.348 1.00 65.42 H new ATOM 0 HD12 LEU A 808 1.717 -22.972 5.735 1.00 65.42 H new ATOM 0 HD13 LEU A 808 2.750 -23.828 6.904 1.00 65.42 H new ATOM 0 HD21 LEU A 808 0.371 -24.819 8.667 1.00 73.50 H new ATOM 0 HD22 LEU A 808 1.833 -24.092 9.374 1.00 73.50 H new ATOM 0 HD23 LEU A 808 0.234 -23.400 9.732 1.00 73.50 H new ATOM 283 N LEU A 809 0.837 -18.735 9.148 1.00 13.01 N ATOM 284 CA LEU A 809 1.130 -17.510 9.873 1.00 33.42 C ATOM 285 C LEU A 809 1.143 -17.803 11.375 1.00 14.30 C ATOM 286 O LEU A 809 0.705 -18.868 11.807 1.00 4.04 O ATOM 287 CB LEU A 809 0.154 -16.403 9.471 1.00 40.23 C ATOM 288 CG LEU A 809 0.639 -15.446 8.379 1.00 34.04 C ATOM 289 CD1 LEU A 809 0.491 -16.076 6.993 1.00 22.00 C ATOM 290 CD2 LEU A 809 -0.077 -14.097 8.475 1.00 33.32 C ATOM 0 H LEU A 809 0.069 -19.285 9.533 1.00 13.01 H new ATOM 0 HA LEU A 809 2.121 -17.140 9.611 1.00 33.42 H new ATOM 0 HB2 LEU A 809 -0.773 -16.867 9.134 1.00 40.23 H new ATOM 0 HB3 LEU A 809 -0.087 -15.818 10.359 1.00 40.23 H new ATOM 0 HG LEU A 809 1.701 -15.259 8.536 1.00 34.04 H new ATOM 0 HD11 LEU A 809 0.843 -15.376 6.236 1.00 22.00 H new ATOM 0 HD12 LEU A 809 1.082 -16.990 6.944 1.00 22.00 H new ATOM 0 HD13 LEU A 809 -0.557 -16.312 6.811 1.00 22.00 H new ATOM 0 HD21 LEU A 809 0.286 -13.436 7.688 1.00 33.32 H new ATOM 0 HD22 LEU A 809 -1.150 -14.246 8.358 1.00 33.32 H new ATOM 0 HD23 LEU A 809 0.123 -13.647 9.448 1.00 33.32 H new ATOM 302 N CYS A 810 1.649 -16.838 12.129 1.00 53.11 N ATOM 303 CA CYS A 810 1.724 -16.978 13.573 1.00 23.42 C ATOM 304 C CYS A 810 0.613 -16.131 14.197 1.00 24.30 C ATOM 305 O CYS A 810 0.674 -14.903 14.169 1.00 64.11 O ATOM 306 CB CYS A 810 3.105 -16.592 14.108 1.00 70.15 C ATOM 307 SG CYS A 810 3.314 -17.220 15.814 1.00 71.34 S ATOM 0 H CYS A 810 2.011 -15.956 11.767 1.00 53.11 H new ATOM 0 HA CYS A 810 1.580 -18.023 13.847 1.00 23.42 H new ATOM 0 HB2 CYS A 810 3.882 -17.003 13.463 1.00 70.15 H new ATOM 0 HB3 CYS A 810 3.219 -15.508 14.094 1.00 70.15 H new ATOM 0 HG CYS A 810 4.433 -17.875 15.901 1.00 71.34 H new ATOM 313 N ARG A 811 -0.376 -16.821 14.746 1.00 62.35 N ATOM 314 CA ARG A 811 -1.499 -16.148 15.375 1.00 2.33 C ATOM 315 C ARG A 811 -1.003 -14.993 16.248 1.00 14.12 C ATOM 316 O ARG A 811 -1.731 -14.028 16.479 1.00 30.54 O ATOM 317 CB ARG A 811 -2.310 -17.117 16.237 1.00 70.52 C ATOM 318 CG ARG A 811 -3.360 -16.371 17.062 1.00 0.02 C ATOM 319 CD ARG A 811 -4.080 -17.321 18.022 1.00 43.31 C ATOM 320 NE ARG A 811 -5.391 -16.753 18.408 1.00 43.43 N ATOM 321 CZ ARG A 811 -5.543 -15.664 19.192 1.00 62.22 C ATOM 322 NH1 ARG A 811 -4.464 -15.016 19.681 1.00 32.21 N ATOM 323 NH2 ARG A 811 -6.762 -15.243 19.473 1.00 22.31 N ATOM 0 H ARG A 811 -0.423 -17.840 14.768 1.00 62.35 H new ATOM 0 HA ARG A 811 -2.140 -15.761 14.583 1.00 2.33 H new ATOM 0 HB2 ARG A 811 -2.799 -17.854 15.600 1.00 70.52 H new ATOM 0 HB3 ARG A 811 -1.642 -17.664 16.902 1.00 70.52 H new ATOM 0 HG2 ARG A 811 -2.882 -15.571 17.627 1.00 0.02 H new ATOM 0 HG3 ARG A 811 -4.085 -15.903 16.396 1.00 0.02 H new ATOM 0 HD2 ARG A 811 -4.221 -18.292 17.548 1.00 43.31 H new ATOM 0 HD3 ARG A 811 -3.470 -17.485 18.910 1.00 43.31 H new ATOM 0 HE ARG A 811 -6.232 -17.213 18.060 1.00 43.43 H new ATOM 0 HH11 ARG A 811 -3.526 -15.348 19.459 1.00 32.21 H new ATOM 0 HH12 ARG A 811 -4.587 -14.194 20.272 1.00 32.21 H new ATOM 0 HH21 ARG A 811 -7.571 -15.739 19.099 1.00 22.31 H new ATOM 0 HH22 ARG A 811 -6.895 -14.422 20.064 1.00 22.31 H new ATOM 336 N LYS A 812 0.231 -15.129 16.709 1.00 22.02 N ATOM 337 CA LYS A 812 0.832 -14.109 17.552 1.00 43.04 C ATOM 338 C LYS A 812 0.491 -12.726 16.993 1.00 62.23 C ATOM 339 O LYS A 812 -0.398 -12.048 17.505 1.00 41.22 O ATOM 340 CB LYS A 812 2.334 -14.357 17.705 1.00 63.24 C ATOM 341 CG LYS A 812 2.628 -15.188 18.955 1.00 1.25 C ATOM 342 CD LYS A 812 2.132 -14.476 20.216 1.00 42.55 C ATOM 343 CE LYS A 812 2.360 -12.966 20.118 1.00 44.24 C ATOM 344 NZ LYS A 812 2.300 -12.344 21.460 1.00 61.54 N ATOM 0 H LYS A 812 0.832 -15.930 16.515 1.00 22.02 H new ATOM 0 HA LYS A 812 0.420 -14.157 18.560 1.00 43.04 H new ATOM 0 HB2 LYS A 812 2.713 -14.874 16.823 1.00 63.24 H new ATOM 0 HB3 LYS A 812 2.859 -13.404 17.766 1.00 63.24 H new ATOM 0 HG2 LYS A 812 2.147 -16.162 18.870 1.00 1.25 H new ATOM 0 HG3 LYS A 812 3.700 -15.368 19.033 1.00 1.25 H new ATOM 0 HD2 LYS A 812 1.071 -14.679 20.359 1.00 42.55 H new ATOM 0 HD3 LYS A 812 2.652 -14.870 21.089 1.00 42.55 H new ATOM 0 HE2 LYS A 812 3.330 -12.768 19.662 1.00 44.24 H new ATOM 0 HE3 LYS A 812 1.606 -12.520 19.470 1.00 44.24 H new ATOM 0 HZ1 LYS A 812 2.457 -11.319 21.375 1.00 61.54 H new ATOM 0 HZ2 LYS A 812 1.365 -12.517 21.882 1.00 61.54 H new ATOM 0 HZ3 LYS A 812 3.036 -12.758 22.068 1.00 61.54 H new ATOM 357 N CYS A 813 1.216 -12.349 15.950 1.00 61.43 N ATOM 358 CA CYS A 813 1.002 -11.060 15.316 1.00 55.33 C ATOM 359 C CYS A 813 0.592 -11.301 13.861 1.00 25.44 C ATOM 360 O CYS A 813 0.707 -10.408 13.024 1.00 43.11 O ATOM 361 CB CYS A 813 2.239 -10.165 15.420 1.00 73.54 C ATOM 362 SG CYS A 813 2.613 -9.817 17.177 1.00 51.44 S ATOM 0 H CYS A 813 1.953 -12.914 15.528 1.00 61.43 H new ATOM 0 HA CYS A 813 0.204 -10.526 15.833 1.00 55.33 H new ATOM 0 HB2 CYS A 813 3.092 -10.653 14.948 1.00 73.54 H new ATOM 0 HB3 CYS A 813 2.069 -9.231 14.884 1.00 73.54 H new ATOM 0 HG CYS A 813 3.666 -9.059 17.255 1.00 51.44 H new ATOM 368 N LYS A 814 0.124 -12.514 13.606 1.00 54.13 N ATOM 369 CA LYS A 814 -0.303 -12.884 12.267 1.00 32.31 C ATOM 370 C LYS A 814 0.813 -12.558 11.272 1.00 34.33 C ATOM 371 O LYS A 814 0.687 -11.629 10.476 1.00 5.03 O ATOM 372 CB LYS A 814 -1.641 -12.223 11.929 1.00 20.30 C ATOM 373 CG LYS A 814 -2.506 -12.065 13.181 1.00 74.51 C ATOM 374 CD LYS A 814 -2.701 -13.409 13.886 1.00 61.41 C ATOM 375 CE LYS A 814 -3.696 -14.288 13.126 1.00 74.11 C ATOM 376 NZ LYS A 814 -2.983 -15.209 12.213 1.00 21.32 N ATOM 0 H LYS A 814 0.031 -13.253 14.303 1.00 54.13 H new ATOM 0 HA LYS A 814 -0.480 -13.958 12.207 1.00 32.31 H new ATOM 0 HB2 LYS A 814 -1.465 -11.246 11.479 1.00 20.30 H new ATOM 0 HB3 LYS A 814 -2.171 -12.824 11.190 1.00 20.30 H new ATOM 0 HG2 LYS A 814 -2.037 -11.357 13.864 1.00 74.51 H new ATOM 0 HG3 LYS A 814 -3.476 -11.650 12.907 1.00 74.51 H new ATOM 0 HD2 LYS A 814 -1.744 -13.924 13.967 1.00 61.41 H new ATOM 0 HD3 LYS A 814 -3.060 -13.242 14.902 1.00 61.41 H new ATOM 0 HE2 LYS A 814 -4.298 -14.860 13.832 1.00 74.11 H new ATOM 0 HE3 LYS A 814 -4.383 -13.661 12.557 1.00 74.11 H new ATOM 0 HZ1 LYS A 814 -3.675 -15.774 11.680 1.00 21.32 H new ATOM 0 HZ2 LYS A 814 -2.401 -14.659 11.549 1.00 21.32 H new ATOM 0 HZ3 LYS A 814 -2.371 -15.842 12.767 1.00 21.32 H new ATOM 389 N ALA A 815 1.879 -13.341 11.350 1.00 34.23 N ATOM 390 CA ALA A 815 3.016 -13.147 10.467 1.00 73.44 C ATOM 391 C ALA A 815 3.518 -14.509 9.983 1.00 71.34 C ATOM 392 O ALA A 815 3.422 -15.502 10.703 1.00 41.13 O ATOM 393 CB ALA A 815 4.100 -12.352 11.196 1.00 31.05 C ATOM 0 H ALA A 815 1.979 -14.111 12.011 1.00 34.23 H new ATOM 0 HA ALA A 815 2.725 -12.571 9.589 1.00 73.44 H new ATOM 0 HB1 ALA A 815 4.953 -12.207 10.533 1.00 31.05 H new ATOM 0 HB2 ALA A 815 3.702 -11.382 11.493 1.00 31.05 H new ATOM 0 HB3 ALA A 815 4.419 -12.900 12.083 1.00 31.05 H new ATOM 399 N LEU A 816 4.042 -14.513 8.766 1.00 43.51 N ATOM 400 CA LEU A 816 4.560 -15.736 8.177 1.00 34.13 C ATOM 401 C LEU A 816 5.313 -16.532 9.245 1.00 34.02 C ATOM 402 O LEU A 816 6.113 -15.972 9.993 1.00 42.05 O ATOM 403 CB LEU A 816 5.400 -15.421 6.938 1.00 3.13 C ATOM 404 CG LEU A 816 6.188 -16.592 6.347 1.00 42.52 C ATOM 405 CD1 LEU A 816 7.434 -16.892 7.182 1.00 2.52 C ATOM 406 CD2 LEU A 816 5.298 -17.825 6.183 1.00 54.33 C ATOM 0 H LEU A 816 4.119 -13.688 8.171 1.00 43.51 H new ATOM 0 HA LEU A 816 3.742 -16.366 7.827 1.00 34.13 H new ATOM 0 HB2 LEU A 816 4.739 -15.027 6.166 1.00 3.13 H new ATOM 0 HB3 LEU A 816 6.103 -14.627 7.192 1.00 3.13 H new ATOM 0 HG LEU A 816 6.529 -16.306 5.352 1.00 42.52 H new ATOM 0 HD11 LEU A 816 7.976 -17.728 6.740 1.00 2.52 H new ATOM 0 HD12 LEU A 816 8.078 -16.013 7.203 1.00 2.52 H new ATOM 0 HD13 LEU A 816 7.137 -17.149 8.199 1.00 2.52 H new ATOM 0 HD21 LEU A 816 5.883 -18.642 5.761 1.00 54.33 H new ATOM 0 HD22 LEU A 816 4.907 -18.123 7.156 1.00 54.33 H new ATOM 0 HD23 LEU A 816 4.469 -17.589 5.515 1.00 54.33 H new ATOM 418 N ALA A 817 5.029 -17.826 9.283 1.00 43.30 N ATOM 419 CA ALA A 817 5.670 -18.704 10.247 1.00 72.30 C ATOM 420 C ALA A 817 6.310 -19.882 9.510 1.00 30.41 C ATOM 421 O ALA A 817 7.445 -20.257 9.799 1.00 22.34 O ATOM 422 CB ALA A 817 4.643 -19.156 11.287 1.00 10.25 C ATOM 0 H ALA A 817 4.364 -18.287 8.662 1.00 43.30 H new ATOM 0 HA ALA A 817 6.463 -18.177 10.779 1.00 72.30 H new ATOM 0 HB1 ALA A 817 5.123 -19.815 12.010 1.00 10.25 H new ATOM 0 HB2 ALA A 817 4.239 -18.284 11.802 1.00 10.25 H new ATOM 0 HB3 ALA A 817 3.834 -19.691 10.790 1.00 10.25 H new ATOM 428 N CYS A 818 5.554 -20.434 8.572 1.00 50.40 N ATOM 429 CA CYS A 818 6.033 -21.562 7.791 1.00 3.54 C ATOM 430 C CYS A 818 5.049 -21.806 6.646 1.00 32.21 C ATOM 431 O CYS A 818 4.125 -21.021 6.439 1.00 34.40 O ATOM 432 CB CYS A 818 6.223 -22.809 8.657 1.00 1.32 C ATOM 433 SG CYS A 818 4.803 -23.002 9.795 1.00 21.42 S ATOM 0 H CYS A 818 4.613 -20.121 8.335 1.00 50.40 H new ATOM 0 HA CYS A 818 7.016 -21.332 7.380 1.00 3.54 H new ATOM 0 HB2 CYS A 818 6.315 -23.691 8.024 1.00 1.32 H new ATOM 0 HB3 CYS A 818 7.148 -22.728 9.227 1.00 1.32 H new ATOM 0 HG CYS A 818 5.142 -23.774 10.785 1.00 21.42 H new ATOM 439 N TYR A 819 5.280 -22.898 5.932 1.00 24.02 N ATOM 440 CA TYR A 819 4.425 -23.256 4.813 1.00 4.12 C ATOM 441 C TYR A 819 4.098 -24.750 4.829 1.00 23.51 C ATOM 442 O TYR A 819 4.914 -25.563 5.262 1.00 73.54 O ATOM 443 CB TYR A 819 5.227 -22.935 3.550 1.00 1.14 C ATOM 444 CG TYR A 819 5.437 -21.439 3.310 1.00 2.43 C ATOM 445 CD1 TYR A 819 4.490 -20.711 2.620 1.00 55.32 C ATOM 446 CD2 TYR A 819 6.575 -20.817 3.784 1.00 15.52 C ATOM 447 CE1 TYR A 819 4.687 -19.302 2.394 1.00 63.42 C ATOM 448 CE2 TYR A 819 6.772 -19.408 3.558 1.00 23.22 C ATOM 449 CZ TYR A 819 5.819 -18.721 2.874 1.00 11.31 C ATOM 450 OH TYR A 819 6.006 -17.391 2.661 1.00 54.43 O ATOM 0 H TYR A 819 6.047 -23.547 6.107 1.00 24.02 H new ATOM 0 HA TYR A 819 3.483 -22.710 4.860 1.00 4.12 H new ATOM 0 HB2 TYR A 819 6.200 -23.422 3.616 1.00 1.14 H new ATOM 0 HB3 TYR A 819 4.715 -23.362 2.688 1.00 1.14 H new ATOM 0 HD1 TYR A 819 3.600 -21.198 2.249 1.00 55.32 H new ATOM 0 HD2 TYR A 819 7.317 -21.387 4.324 1.00 15.52 H new ATOM 0 HE1 TYR A 819 3.953 -18.721 1.856 1.00 63.42 H new ATOM 0 HE2 TYR A 819 7.657 -18.909 3.924 1.00 23.22 H new ATOM 0 HH TYR A 819 6.856 -17.112 3.060 1.00 54.43 H new ATOM 460 N THR A 820 2.903 -25.067 4.352 1.00 24.33 N ATOM 461 CA THR A 820 2.458 -26.450 4.306 1.00 5.32 C ATOM 462 C THR A 820 3.324 -27.256 3.336 1.00 20.54 C ATOM 463 O THR A 820 3.286 -28.486 3.340 1.00 1.13 O ATOM 464 CB THR A 820 0.972 -26.456 3.944 1.00 61.24 C ATOM 465 OG1 THR A 820 0.429 -27.517 4.724 1.00 31.51 O ATOM 466 CG2 THR A 820 0.724 -26.892 2.498 1.00 11.11 C ATOM 0 H THR A 820 2.229 -24.390 3.994 1.00 24.33 H new ATOM 0 HA THR A 820 2.573 -26.936 5.275 1.00 5.32 H new ATOM 0 HB THR A 820 0.556 -25.460 4.100 1.00 61.24 H new ATOM 0 HG1 THR A 820 -0.489 -27.295 4.984 1.00 31.51 H new ATOM 0 HG21 THR A 820 -0.346 -26.879 2.293 1.00 11.11 H new ATOM 0 HG22 THR A 820 1.232 -26.207 1.819 1.00 11.11 H new ATOM 0 HG23 THR A 820 1.109 -27.901 2.351 1.00 11.11 H new ATOM 474 N ALA A 821 4.084 -26.532 2.529 1.00 40.34 N ATOM 475 CA ALA A 821 4.958 -27.165 1.555 1.00 13.43 C ATOM 476 C ALA A 821 6.245 -27.615 2.249 1.00 71.32 C ATOM 477 O ALA A 821 7.067 -28.308 1.651 1.00 73.04 O ATOM 478 CB ALA A 821 5.225 -26.195 0.403 1.00 43.24 C ATOM 0 H ALA A 821 4.113 -25.512 2.529 1.00 40.34 H new ATOM 0 HA ALA A 821 4.484 -28.051 1.132 1.00 13.43 H new ATOM 0 HB1 ALA A 821 5.880 -26.669 -0.328 1.00 43.24 H new ATOM 0 HB2 ALA A 821 4.282 -25.929 -0.074 1.00 43.24 H new ATOM 0 HB3 ALA A 821 5.703 -25.295 0.789 1.00 43.24 H new ATOM 484 N ASP A 822 6.380 -27.204 3.501 1.00 51.21 N ATOM 485 CA ASP A 822 7.553 -27.557 4.282 1.00 1.43 C ATOM 486 C ASP A 822 7.112 -28.265 5.565 1.00 42.41 C ATOM 487 O ASP A 822 7.945 -28.636 6.391 1.00 73.24 O ATOM 488 CB ASP A 822 8.346 -26.310 4.679 1.00 12.21 C ATOM 489 CG ASP A 822 9.076 -25.615 3.528 1.00 3.54 C ATOM 490 OD1 ASP A 822 9.472 -26.255 2.543 1.00 21.33 O ATOM 491 OD2 ASP A 822 9.237 -24.343 3.674 1.00 53.23 O ATOM 0 H ASP A 822 5.696 -26.630 3.994 1.00 51.21 H new ATOM 0 HA ASP A 822 8.182 -28.205 3.672 1.00 1.43 H new ATOM 0 HB2 ASP A 822 7.664 -25.596 5.141 1.00 12.21 H new ATOM 0 HB3 ASP A 822 9.077 -26.589 5.438 1.00 12.21 H new ATOM 497 N VAL A 823 5.804 -28.430 5.692 1.00 72.02 N ATOM 498 CA VAL A 823 5.242 -29.087 6.860 1.00 43.10 C ATOM 499 C VAL A 823 5.025 -30.570 6.551 1.00 44.40 C ATOM 500 O VAL A 823 4.434 -30.914 5.529 1.00 65.42 O ATOM 501 CB VAL A 823 3.961 -28.373 7.296 1.00 30.41 C ATOM 502 CG1 VAL A 823 2.745 -28.925 6.549 1.00 10.12 C ATOM 503 CG2 VAL A 823 3.766 -28.473 8.810 1.00 22.44 C ATOM 0 H VAL A 823 5.117 -28.120 5.005 1.00 72.02 H new ATOM 0 HA VAL A 823 5.933 -29.028 7.701 1.00 43.10 H new ATOM 0 HB VAL A 823 4.061 -27.318 7.040 1.00 30.41 H new ATOM 0 HG11 VAL A 823 1.848 -28.401 6.877 1.00 10.12 H new ATOM 0 HG12 VAL A 823 2.879 -28.779 5.477 1.00 10.12 H new ATOM 0 HG13 VAL A 823 2.641 -29.989 6.760 1.00 10.12 H new ATOM 0 HG21 VAL A 823 2.848 -27.957 9.094 1.00 22.44 H new ATOM 0 HG22 VAL A 823 3.697 -29.522 9.100 1.00 22.44 H new ATOM 0 HG23 VAL A 823 4.613 -28.011 9.317 1.00 22.44 H new ATOM 513 N ARG A 824 5.515 -31.407 7.453 1.00 22.03 N ATOM 514 CA ARG A 824 5.382 -32.845 7.290 1.00 44.31 C ATOM 515 C ARG A 824 5.212 -33.520 8.652 1.00 21.31 C ATOM 516 O ARG A 824 6.103 -33.453 9.498 1.00 74.21 O ATOM 517 CB ARG A 824 6.606 -33.434 6.585 1.00 31.34 C ATOM 518 CG ARG A 824 6.398 -33.478 5.070 1.00 1.22 C ATOM 519 CD ARG A 824 7.002 -32.243 4.398 1.00 23.12 C ATOM 520 NE ARG A 824 7.090 -32.455 2.936 1.00 5.32 N ATOM 521 CZ ARG A 824 8.147 -33.022 2.316 1.00 72.31 C ATOM 522 NH1 ARG A 824 9.215 -33.440 3.027 1.00 24.41 N ATOM 523 NH2 ARG A 824 8.119 -33.162 1.004 1.00 61.04 N ATOM 0 H ARG A 824 6.005 -31.117 8.299 1.00 22.03 H new ATOM 0 HA ARG A 824 4.500 -33.030 6.677 1.00 44.31 H new ATOM 0 HB2 ARG A 824 7.487 -32.836 6.817 1.00 31.34 H new ATOM 0 HB3 ARG A 824 6.796 -34.440 6.959 1.00 31.34 H new ATOM 0 HG2 ARG A 824 6.856 -34.379 4.662 1.00 1.22 H new ATOM 0 HG3 ARG A 824 5.333 -33.533 4.847 1.00 1.22 H new ATOM 0 HD2 ARG A 824 6.389 -31.367 4.611 1.00 23.12 H new ATOM 0 HD3 ARG A 824 7.993 -32.045 4.806 1.00 23.12 H new ATOM 0 HE ARG A 824 6.303 -32.154 2.361 1.00 5.32 H new ATOM 0 HH11 ARG A 824 9.228 -33.329 4.041 1.00 24.41 H new ATOM 0 HH12 ARG A 824 10.009 -33.867 2.551 1.00 24.41 H new ATOM 0 HH21 ARG A 824 7.307 -32.844 0.474 1.00 61.04 H new ATOM 0 HH22 ARG A 824 8.909 -33.588 0.520 1.00 61.04 H new ATOM 536 N VAL A 825 4.062 -34.156 8.822 1.00 0.21 N ATOM 537 CA VAL A 825 3.764 -34.843 10.067 1.00 15.11 C ATOM 538 C VAL A 825 4.479 -36.195 10.082 1.00 30.25 C ATOM 539 O VAL A 825 4.759 -36.765 9.029 1.00 32.41 O ATOM 540 CB VAL A 825 2.249 -34.966 10.247 1.00 1.30 C ATOM 541 CG1 VAL A 825 1.677 -36.060 9.344 1.00 33.44 C ATOM 542 CG2 VAL A 825 1.890 -35.220 11.712 1.00 11.44 C ATOM 0 H VAL A 825 3.326 -34.210 8.118 1.00 0.21 H new ATOM 0 HA VAL A 825 4.134 -34.270 10.917 1.00 15.11 H new ATOM 0 HB VAL A 825 1.798 -34.019 9.952 1.00 1.30 H new ATOM 0 HG11 VAL A 825 0.599 -36.127 9.491 1.00 33.44 H new ATOM 0 HG12 VAL A 825 1.887 -35.818 8.302 1.00 33.44 H new ATOM 0 HG13 VAL A 825 2.137 -37.016 9.594 1.00 33.44 H new ATOM 0 HG21 VAL A 825 0.808 -35.303 11.812 1.00 11.44 H new ATOM 0 HG22 VAL A 825 2.358 -36.146 12.046 1.00 11.44 H new ATOM 0 HG23 VAL A 825 2.248 -34.392 12.323 1.00 11.44 H new ATOM 552 N ILE A 826 4.755 -36.669 11.289 1.00 75.24 N ATOM 553 CA ILE A 826 5.432 -37.944 11.455 1.00 50.10 C ATOM 554 C ILE A 826 4.392 -39.063 11.534 1.00 54.04 C ATOM 555 O ILE A 826 4.032 -39.505 12.623 1.00 32.44 O ATOM 556 CB ILE A 826 6.376 -37.896 12.658 1.00 12.12 C ATOM 557 CG1 ILE A 826 7.626 -37.073 12.342 1.00 65.44 C ATOM 558 CG2 ILE A 826 6.724 -39.306 13.139 1.00 72.34 C ATOM 559 CD1 ILE A 826 7.994 -36.162 13.514 1.00 45.21 C ATOM 0 H ILE A 826 4.522 -36.193 12.160 1.00 75.24 H new ATOM 0 HA ILE A 826 6.063 -38.156 10.592 1.00 50.10 H new ATOM 0 HB ILE A 826 5.860 -37.395 13.477 1.00 12.12 H new ATOM 0 HG12 ILE A 826 8.459 -37.741 12.120 1.00 65.44 H new ATOM 0 HG13 ILE A 826 7.454 -36.471 11.450 1.00 65.44 H new ATOM 0 HG21 ILE A 826 7.396 -39.243 13.995 1.00 72.34 H new ATOM 0 HG22 ILE A 826 5.812 -39.826 13.432 1.00 72.34 H new ATOM 0 HG23 ILE A 826 7.212 -39.855 12.334 1.00 72.34 H new ATOM 0 HD11 ILE A 826 8.886 -35.588 13.263 1.00 45.21 H new ATOM 0 HD12 ILE A 826 7.169 -35.479 13.717 1.00 45.21 H new ATOM 0 HD13 ILE A 826 8.190 -36.768 14.399 1.00 45.21 H new ATOM 571 N GLU A 827 3.938 -39.489 10.364 1.00 53.41 N ATOM 572 CA GLU A 827 2.946 -40.548 10.287 1.00 52.34 C ATOM 573 C GLU A 827 1.763 -40.236 11.206 1.00 4.21 C ATOM 574 O GLU A 827 1.179 -41.140 11.801 1.00 64.42 O ATOM 575 CB GLU A 827 3.564 -41.904 10.630 1.00 63.32 C ATOM 576 CG GLU A 827 3.885 -41.999 12.123 1.00 41.31 C ATOM 577 CD GLU A 827 3.958 -43.458 12.577 1.00 72.02 C ATOM 578 OE1 GLU A 827 2.916 -44.113 12.726 1.00 32.43 O ATOM 579 OE2 GLU A 827 5.150 -43.909 12.775 1.00 2.40 O ATOM 0 H GLU A 827 4.239 -39.120 9.462 1.00 53.41 H new ATOM 0 HA GLU A 827 2.580 -40.602 9.262 1.00 52.34 H new ATOM 0 HB2 GLU A 827 2.876 -42.702 10.351 1.00 63.32 H new ATOM 0 HB3 GLU A 827 4.474 -42.050 10.049 1.00 63.32 H new ATOM 0 HG2 GLU A 827 4.834 -41.503 12.327 1.00 41.31 H new ATOM 0 HG3 GLU A 827 3.121 -41.474 12.697 1.00 41.31 H new ATOM 587 N GLU A 828 1.446 -38.953 11.294 1.00 53.50 N ATOM 588 CA GLU A 828 0.343 -38.510 12.131 1.00 25.11 C ATOM 589 C GLU A 828 0.754 -38.531 13.605 1.00 63.23 C ATOM 590 O GLU A 828 -0.086 -38.709 14.485 1.00 75.23 O ATOM 591 CB GLU A 828 -0.902 -39.368 11.897 1.00 44.33 C ATOM 592 CG GLU A 828 -1.152 -39.574 10.401 1.00 22.04 C ATOM 593 CD GLU A 828 -2.333 -40.518 10.168 1.00 21.44 C ATOM 594 OE1 GLU A 828 -2.137 -41.736 10.041 1.00 31.21 O ATOM 595 OE2 GLU A 828 -3.488 -39.946 10.122 1.00 1.21 O ATOM 0 H GLU A 828 1.933 -38.206 10.800 1.00 53.50 H new ATOM 0 HA GLU A 828 0.094 -37.485 11.858 1.00 25.11 H new ATOM 0 HB2 GLU A 828 -0.779 -40.335 12.385 1.00 44.33 H new ATOM 0 HB3 GLU A 828 -1.769 -38.889 12.352 1.00 44.33 H new ATOM 0 HG2 GLU A 828 -1.351 -38.613 9.926 1.00 22.04 H new ATOM 0 HG3 GLU A 828 -0.257 -39.983 9.932 1.00 22.04 H new ATOM 603 N CYS A 829 2.047 -38.347 13.828 1.00 22.13 N ATOM 604 CA CYS A 829 2.580 -38.343 15.180 1.00 12.22 C ATOM 605 C CYS A 829 2.630 -36.895 15.672 1.00 44.01 C ATOM 606 O CYS A 829 2.222 -36.602 16.795 1.00 65.41 O ATOM 607 CB CYS A 829 3.951 -39.018 15.250 1.00 1.31 C ATOM 608 SG CYS A 829 4.460 -39.222 16.996 1.00 50.30 S ATOM 0 H CYS A 829 2.741 -38.200 13.095 1.00 22.13 H new ATOM 0 HA CYS A 829 1.929 -38.925 15.832 1.00 12.22 H new ATOM 0 HB2 CYS A 829 3.913 -39.990 14.758 1.00 1.31 H new ATOM 0 HB3 CYS A 829 4.688 -38.419 14.715 1.00 1.31 H new ATOM 0 HG CYS A 829 4.875 -38.082 17.463 1.00 50.30 H new ATOM 614 N HIS A 830 3.135 -36.027 14.807 1.00 34.20 N ATOM 615 CA HIS A 830 3.244 -34.617 15.139 1.00 11.23 C ATOM 616 C HIS A 830 3.630 -33.823 13.889 1.00 32.53 C ATOM 617 O HIS A 830 4.472 -34.261 13.107 1.00 20.41 O ATOM 618 CB HIS A 830 4.218 -34.406 16.300 1.00 65.12 C ATOM 619 CG HIS A 830 3.548 -34.235 17.642 1.00 55.32 C ATOM 620 ND1 HIS A 830 3.420 -35.268 18.554 1.00 71.15 N ATOM 621 CD2 HIS A 830 2.970 -33.141 18.216 1.00 1.33 C ATOM 622 CE1 HIS A 830 2.792 -34.806 19.624 1.00 14.34 C ATOM 623 NE2 HIS A 830 2.513 -33.487 19.413 1.00 22.22 N ATOM 0 H HIS A 830 3.473 -36.273 13.877 1.00 34.20 H new ATOM 0 HA HIS A 830 2.278 -34.244 15.479 1.00 11.23 H new ATOM 0 HB2 HIS A 830 4.897 -35.257 16.350 1.00 65.12 H new ATOM 0 HB3 HIS A 830 4.826 -33.525 16.095 1.00 65.12 H new ATOM 0 HD1 HIS A 830 3.753 -36.223 18.424 1.00 71.15 H new ATOM 0 HD2 HIS A 830 2.897 -32.159 17.772 1.00 1.33 H new ATOM 0 HE1 HIS A 830 2.544 -35.374 20.509 1.00 14.34 H new ATOM 631 N TYR A 831 2.995 -32.670 13.740 1.00 22.04 N ATOM 632 CA TYR A 831 3.261 -31.811 12.599 1.00 64.32 C ATOM 633 C TYR A 831 4.549 -31.011 12.803 1.00 2.24 C ATOM 634 O TYR A 831 4.687 -30.292 13.792 1.00 40.22 O ATOM 635 CB TYR A 831 2.080 -30.842 12.516 1.00 64.34 C ATOM 636 CG TYR A 831 0.855 -31.415 11.802 1.00 75.22 C ATOM 637 CD1 TYR A 831 0.957 -31.851 10.496 1.00 0.32 C ATOM 638 CD2 TYR A 831 -0.354 -31.497 12.463 1.00 10.44 C ATOM 639 CE1 TYR A 831 -0.197 -32.390 9.824 1.00 2.13 C ATOM 640 CE2 TYR A 831 -1.508 -32.036 11.792 1.00 41.24 C ATOM 641 CZ TYR A 831 -1.372 -32.456 10.505 1.00 13.22 C ATOM 642 OH TYR A 831 -2.462 -32.965 9.871 1.00 71.14 O ATOM 0 H TYR A 831 2.297 -32.311 14.391 1.00 22.04 H new ATOM 0 HA TYR A 831 3.380 -32.404 11.692 1.00 64.32 H new ATOM 0 HB2 TYR A 831 1.794 -30.546 13.525 1.00 64.34 H new ATOM 0 HB3 TYR A 831 2.400 -29.938 11.998 1.00 64.34 H new ATOM 0 HD1 TYR A 831 1.903 -31.788 9.978 1.00 0.32 H new ATOM 0 HD2 TYR A 831 -0.434 -31.156 13.485 1.00 10.44 H new ATOM 0 HE1 TYR A 831 -0.131 -32.734 8.802 1.00 2.13 H new ATOM 0 HE2 TYR A 831 -2.459 -32.105 12.298 1.00 41.24 H new ATOM 0 HH TYR A 831 -2.397 -32.782 8.910 1.00 71.14 H new ATOM 652 N THR A 832 5.460 -31.162 11.853 1.00 73.42 N ATOM 653 CA THR A 832 6.732 -30.463 11.916 1.00 15.43 C ATOM 654 C THR A 832 7.008 -29.738 10.598 1.00 54.44 C ATOM 655 O THR A 832 6.308 -29.952 9.609 1.00 63.42 O ATOM 656 CB THR A 832 7.812 -31.479 12.289 1.00 65.23 C ATOM 657 OG1 THR A 832 7.588 -32.567 11.396 1.00 23.10 O ATOM 658 CG2 THR A 832 7.593 -32.085 13.677 1.00 44.04 C ATOM 0 H THR A 832 5.342 -31.759 11.034 1.00 73.42 H new ATOM 0 HA THR A 832 6.719 -29.686 12.681 1.00 15.43 H new ATOM 0 HB THR A 832 8.790 -30.998 12.254 1.00 65.23 H new ATOM 0 HG1 THR A 832 8.348 -32.648 10.782 1.00 23.10 H new ATOM 0 HG21 THR A 832 8.388 -32.799 13.892 1.00 44.04 H new ATOM 0 HG22 THR A 832 7.605 -31.293 14.426 1.00 44.04 H new ATOM 0 HG23 THR A 832 6.630 -32.595 13.704 1.00 44.04 H new ATOM 666 N VAL A 833 8.029 -28.894 10.626 1.00 53.22 N ATOM 667 CA VAL A 833 8.406 -28.136 9.445 1.00 51.21 C ATOM 668 C VAL A 833 9.917 -28.248 9.233 1.00 1.05 C ATOM 669 O VAL A 833 10.673 -28.393 10.193 1.00 13.42 O ATOM 670 CB VAL A 833 7.926 -26.689 9.577 1.00 44.24 C ATOM 671 CG1 VAL A 833 7.871 -26.003 8.210 1.00 33.20 C ATOM 672 CG2 VAL A 833 6.569 -26.623 10.279 1.00 11.11 C ATOM 0 H VAL A 833 8.607 -28.718 11.448 1.00 53.22 H new ATOM 0 HA VAL A 833 7.922 -28.545 8.558 1.00 51.21 H new ATOM 0 HB VAL A 833 8.647 -26.152 10.193 1.00 44.24 H new ATOM 0 HG11 VAL A 833 7.527 -24.976 8.332 1.00 33.20 H new ATOM 0 HG12 VAL A 833 8.865 -26.002 7.763 1.00 33.20 H new ATOM 0 HG13 VAL A 833 7.182 -26.542 7.560 1.00 33.20 H new ATOM 0 HG21 VAL A 833 6.251 -25.583 10.360 1.00 11.11 H new ATOM 0 HG22 VAL A 833 5.833 -27.184 9.702 1.00 11.11 H new ATOM 0 HG23 VAL A 833 6.654 -27.055 11.276 1.00 11.11 H new ATOM 682 N LEU A 834 10.313 -28.177 7.971 1.00 54.00 N ATOM 683 CA LEU A 834 11.720 -28.269 7.621 1.00 10.33 C ATOM 684 C LEU A 834 12.078 -27.131 6.663 1.00 60.44 C ATOM 685 O LEU A 834 11.194 -26.466 6.125 1.00 31.13 O ATOM 686 CB LEU A 834 12.047 -29.660 7.074 1.00 14.25 C ATOM 687 CG LEU A 834 10.854 -30.489 6.594 1.00 14.14 C ATOM 688 CD1 LEU A 834 11.255 -31.411 5.442 1.00 63.41 C ATOM 689 CD2 LEU A 834 10.221 -31.262 7.754 1.00 41.25 C ATOM 0 H LEU A 834 9.683 -28.057 7.178 1.00 54.00 H new ATOM 0 HA LEU A 834 12.342 -28.147 8.508 1.00 10.33 H new ATOM 0 HB2 LEU A 834 12.744 -29.548 6.243 1.00 14.25 H new ATOM 0 HB3 LEU A 834 12.565 -30.222 7.851 1.00 14.25 H new ATOM 0 HG LEU A 834 10.096 -29.806 6.210 1.00 14.14 H new ATOM 0 HD11 LEU A 834 10.389 -31.989 5.120 1.00 63.41 H new ATOM 0 HD12 LEU A 834 11.623 -30.813 4.608 1.00 63.41 H new ATOM 0 HD13 LEU A 834 12.040 -32.090 5.775 1.00 63.41 H new ATOM 0 HD21 LEU A 834 9.375 -31.843 7.386 1.00 41.25 H new ATOM 0 HD22 LEU A 834 10.960 -31.934 8.190 1.00 41.25 H new ATOM 0 HD23 LEU A 834 9.876 -30.560 8.513 1.00 41.25 H new ATOM 701 N GLY A 835 13.376 -26.943 6.477 1.00 23.13 N ATOM 702 CA GLY A 835 13.862 -25.898 5.593 1.00 42.33 C ATOM 703 C GLY A 835 14.519 -24.768 6.388 1.00 2.21 C ATOM 704 O GLY A 835 13.983 -24.325 7.403 1.00 62.12 O ATOM 0 H GLY A 835 14.106 -27.497 6.924 1.00 23.13 H new ATOM 0 HA2 GLY A 835 14.581 -26.318 4.889 1.00 42.33 H new ATOM 0 HA3 GLY A 835 13.035 -25.500 5.005 1.00 42.33 H new ATOM 708 N ASP A 836 15.671 -24.334 5.897 1.00 13.43 N ATOM 709 CA ASP A 836 16.406 -23.264 6.550 1.00 45.24 C ATOM 710 C ASP A 836 15.536 -22.006 6.596 1.00 60.43 C ATOM 711 O ASP A 836 15.766 -21.117 7.414 1.00 64.31 O ATOM 712 CB ASP A 836 17.685 -22.926 5.780 1.00 11.12 C ATOM 713 CG ASP A 836 18.754 -24.021 5.789 1.00 15.21 C ATOM 714 OD1 ASP A 836 18.752 -24.921 4.937 1.00 63.43 O ATOM 715 OD2 ASP A 836 19.626 -23.923 6.734 1.00 63.10 O ATOM 0 H ASP A 836 16.113 -24.704 5.055 1.00 13.43 H new ATOM 0 HA ASP A 836 16.666 -23.598 7.554 1.00 45.24 H new ATOM 0 HB2 ASP A 836 17.421 -22.706 4.746 1.00 11.12 H new ATOM 0 HB3 ASP A 836 18.114 -22.017 6.200 1.00 11.12 H new ATOM 721 N ALA A 837 14.554 -21.972 5.707 1.00 61.31 N ATOM 722 CA ALA A 837 13.648 -20.839 5.636 1.00 40.52 C ATOM 723 C ALA A 837 12.836 -20.759 6.930 1.00 54.42 C ATOM 724 O ALA A 837 12.569 -19.668 7.433 1.00 22.43 O ATOM 725 CB ALA A 837 12.760 -20.971 4.397 1.00 31.51 C ATOM 0 H ALA A 837 14.366 -22.711 5.030 1.00 61.31 H new ATOM 0 HA ALA A 837 14.206 -19.908 5.539 1.00 40.52 H new ATOM 0 HB1 ALA A 837 12.080 -20.121 4.344 1.00 31.51 H new ATOM 0 HB2 ALA A 837 13.383 -20.993 3.503 1.00 31.51 H new ATOM 0 HB3 ALA A 837 12.183 -21.893 4.460 1.00 31.51 H new ATOM 731 N PHE A 838 12.465 -21.928 7.431 1.00 13.52 N ATOM 732 CA PHE A 838 11.688 -22.004 8.657 1.00 40.41 C ATOM 733 C PHE A 838 12.597 -21.953 9.886 1.00 5.33 C ATOM 734 O PHE A 838 12.143 -21.643 10.986 1.00 1.45 O ATOM 735 CB PHE A 838 10.952 -23.344 8.637 1.00 34.52 C ATOM 736 CG PHE A 838 10.533 -23.845 10.021 1.00 2.03 C ATOM 737 CD1 PHE A 838 9.695 -23.099 10.790 1.00 42.34 C ATOM 738 CD2 PHE A 838 10.999 -25.036 10.483 1.00 24.31 C ATOM 739 CE1 PHE A 838 9.307 -23.563 12.074 1.00 32.30 C ATOM 740 CE2 PHE A 838 10.611 -25.501 11.767 1.00 1.25 C ATOM 741 CZ PHE A 838 9.773 -24.755 12.536 1.00 40.42 C ATOM 0 H PHE A 838 12.688 -22.830 7.011 1.00 13.52 H new ATOM 0 HA PHE A 838 10.998 -21.162 8.713 1.00 40.41 H new ATOM 0 HB2 PHE A 838 10.064 -23.250 8.012 1.00 34.52 H new ATOM 0 HB3 PHE A 838 11.593 -24.092 8.170 1.00 34.52 H new ATOM 0 HD1 PHE A 838 9.325 -22.153 10.423 1.00 42.34 H new ATOM 0 HD2 PHE A 838 11.665 -25.628 9.873 1.00 24.31 H new ATOM 0 HE1 PHE A 838 8.642 -22.970 12.684 1.00 32.30 H new ATOM 0 HE2 PHE A 838 10.981 -26.447 12.133 1.00 1.25 H new ATOM 0 HZ PHE A 838 9.478 -25.109 13.513 1.00 40.42 H new ATOM 751 N LYS A 839 13.865 -22.262 9.658 1.00 4.20 N ATOM 752 CA LYS A 839 14.843 -22.255 10.733 1.00 34.24 C ATOM 753 C LYS A 839 14.910 -20.855 11.347 1.00 62.23 C ATOM 754 O LYS A 839 14.994 -20.711 12.565 1.00 2.23 O ATOM 755 CB LYS A 839 16.193 -22.774 10.234 1.00 53.54 C ATOM 756 CG LYS A 839 16.129 -24.273 9.938 1.00 32.40 C ATOM 757 CD LYS A 839 17.525 -24.840 9.674 1.00 23.23 C ATOM 758 CE LYS A 839 17.451 -26.102 8.813 1.00 30.50 C ATOM 759 NZ LYS A 839 16.862 -27.221 9.583 1.00 54.05 N ATOM 0 H LYS A 839 14.238 -22.519 8.744 1.00 4.20 H new ATOM 0 HA LYS A 839 14.540 -22.937 11.527 1.00 34.24 H new ATOM 0 HB2 LYS A 839 16.484 -22.234 9.333 1.00 53.54 H new ATOM 0 HB3 LYS A 839 16.961 -22.580 10.983 1.00 53.54 H new ATOM 0 HG2 LYS A 839 15.674 -24.794 10.780 1.00 32.40 H new ATOM 0 HG3 LYS A 839 15.491 -24.449 9.072 1.00 32.40 H new ATOM 0 HD2 LYS A 839 18.137 -24.090 9.174 1.00 23.23 H new ATOM 0 HD3 LYS A 839 18.013 -25.070 10.621 1.00 23.23 H new ATOM 0 HE2 LYS A 839 16.850 -25.908 7.924 1.00 30.50 H new ATOM 0 HE3 LYS A 839 18.449 -26.374 8.470 1.00 30.50 H new ATOM 0 HZ1 LYS A 839 16.819 -28.070 8.984 1.00 54.05 H new ATOM 0 HZ2 LYS A 839 17.451 -27.416 10.418 1.00 54.05 H new ATOM 0 HZ3 LYS A 839 15.902 -26.964 9.889 1.00 54.05 H new ATOM 772 N GLU A 840 14.871 -19.859 10.474 1.00 72.10 N ATOM 773 CA GLU A 840 14.927 -18.476 10.914 1.00 15.54 C ATOM 774 C GLU A 840 13.526 -17.976 11.273 1.00 55.33 C ATOM 775 O GLU A 840 13.372 -16.879 11.808 1.00 51.11 O ATOM 776 CB GLU A 840 15.570 -17.586 9.849 1.00 71.34 C ATOM 777 CG GLU A 840 14.852 -17.733 8.506 1.00 54.24 C ATOM 778 CD GLU A 840 15.040 -16.483 7.644 1.00 42.23 C ATOM 779 OE1 GLU A 840 15.633 -16.562 6.558 1.00 65.32 O ATOM 780 OE2 GLU A 840 14.544 -15.400 8.138 1.00 12.41 O ATOM 0 H GLU A 840 14.801 -19.983 9.464 1.00 72.10 H new ATOM 0 HA GLU A 840 15.550 -18.425 11.807 1.00 15.54 H new ATOM 0 HB2 GLU A 840 15.537 -16.545 10.171 1.00 71.34 H new ATOM 0 HB3 GLU A 840 16.621 -17.851 9.735 1.00 71.34 H new ATOM 0 HG2 GLU A 840 15.237 -18.605 7.977 1.00 54.24 H new ATOM 0 HG3 GLU A 840 13.789 -17.906 8.675 1.00 54.24 H new ATOM 788 N CYS A 841 12.539 -18.804 10.963 1.00 22.42 N ATOM 789 CA CYS A 841 11.156 -18.460 11.246 1.00 61.32 C ATOM 790 C CYS A 841 10.906 -18.664 12.741 1.00 4.15 C ATOM 791 O CYS A 841 10.023 -18.032 13.319 1.00 43.43 O ATOM 792 CB CYS A 841 10.184 -19.274 10.389 1.00 63.10 C ATOM 793 SG CYS A 841 10.215 -18.669 8.662 1.00 22.41 S ATOM 0 H CYS A 841 12.670 -19.713 10.518 1.00 22.42 H new ATOM 0 HA CYS A 841 10.979 -17.416 10.988 1.00 61.32 H new ATOM 0 HB2 CYS A 841 10.456 -20.329 10.418 1.00 63.10 H new ATOM 0 HB3 CYS A 841 9.175 -19.194 10.793 1.00 63.10 H new ATOM 0 HG CYS A 841 11.412 -18.810 8.174 1.00 22.41 H new ATOM 799 N PHE A 842 11.700 -19.549 13.326 1.00 2.03 N ATOM 800 CA PHE A 842 11.576 -19.844 14.744 1.00 44.23 C ATOM 801 C PHE A 842 12.939 -19.789 15.436 1.00 5.54 C ATOM 802 O PHE A 842 13.924 -19.350 14.843 1.00 31.42 O ATOM 803 CB PHE A 842 11.017 -21.263 14.858 1.00 34.11 C ATOM 804 CG PHE A 842 12.089 -22.345 15.007 1.00 53.34 C ATOM 805 CD1 PHE A 842 12.923 -22.622 13.969 1.00 1.10 C ATOM 806 CD2 PHE A 842 12.207 -23.029 16.176 1.00 40.30 C ATOM 807 CE1 PHE A 842 13.918 -23.626 14.107 1.00 50.32 C ATOM 808 CE2 PHE A 842 13.202 -24.033 16.314 1.00 51.42 C ATOM 809 CZ PHE A 842 14.036 -24.310 15.276 1.00 4.12 C ATOM 0 H PHE A 842 12.432 -20.071 12.844 1.00 2.03 H new ATOM 0 HA PHE A 842 10.926 -19.111 15.221 1.00 44.23 H new ATOM 0 HB2 PHE A 842 10.346 -21.310 15.716 1.00 34.11 H new ATOM 0 HB3 PHE A 842 10.418 -21.479 13.973 1.00 34.11 H new ATOM 0 HD1 PHE A 842 12.829 -22.079 13.040 1.00 1.10 H new ATOM 0 HD2 PHE A 842 11.544 -22.809 17.000 1.00 40.30 H new ATOM 0 HE1 PHE A 842 14.581 -23.846 13.283 1.00 50.32 H new ATOM 0 HE2 PHE A 842 13.296 -24.576 17.243 1.00 51.42 H new ATOM 0 HZ PHE A 842 14.792 -25.074 15.380 1.00 4.12 H new ATOM 819 N VAL A 843 12.953 -20.239 16.682 1.00 21.13 N ATOM 820 CA VAL A 843 14.179 -20.246 17.462 1.00 22.51 C ATOM 821 C VAL A 843 14.110 -21.366 18.503 1.00 70.15 C ATOM 822 O VAL A 843 13.067 -21.996 18.673 1.00 24.14 O ATOM 823 CB VAL A 843 14.413 -18.868 18.082 1.00 1.54 C ATOM 824 CG1 VAL A 843 14.252 -17.762 17.037 1.00 2.23 C ATOM 825 CG2 VAL A 843 13.481 -18.637 19.273 1.00 15.31 C ATOM 0 H VAL A 843 12.135 -20.602 17.171 1.00 21.13 H new ATOM 0 HA VAL A 843 15.037 -20.449 16.822 1.00 22.51 H new ATOM 0 HB VAL A 843 15.439 -18.836 18.449 1.00 1.54 H new ATOM 0 HG11 VAL A 843 14.424 -16.792 17.504 1.00 2.23 H new ATOM 0 HG12 VAL A 843 14.975 -17.911 16.235 1.00 2.23 H new ATOM 0 HG13 VAL A 843 13.243 -17.793 16.627 1.00 2.23 H new ATOM 0 HG21 VAL A 843 13.668 -17.650 19.695 1.00 15.31 H new ATOM 0 HG22 VAL A 843 12.445 -18.699 18.941 1.00 15.31 H new ATOM 0 HG23 VAL A 843 13.665 -19.397 20.032 1.00 15.31 H new ATOM 835 N SER A 844 15.234 -21.580 19.171 1.00 51.32 N ATOM 836 CA SER A 844 15.314 -22.612 20.190 1.00 70.42 C ATOM 837 C SER A 844 16.309 -22.199 21.276 1.00 31.34 C ATOM 838 O SER A 844 17.486 -21.979 20.994 1.00 32.44 O ATOM 839 CB SER A 844 15.720 -23.956 19.582 1.00 61.25 C ATOM 840 OG SER A 844 17.119 -24.021 19.315 1.00 14.22 O ATOM 0 H SER A 844 16.097 -21.056 19.026 1.00 51.32 H new ATOM 0 HA SER A 844 14.326 -22.729 20.636 1.00 70.42 H new ATOM 0 HB2 SER A 844 15.443 -24.760 20.263 1.00 61.25 H new ATOM 0 HB3 SER A 844 15.167 -24.117 18.657 1.00 61.25 H new ATOM 0 HG SER A 844 17.565 -23.245 19.714 1.00 14.22 H new ATOM 846 N ARG A 845 15.799 -22.106 22.496 1.00 64.31 N ATOM 847 CA ARG A 845 16.628 -21.724 23.626 1.00 4.51 C ATOM 848 C ARG A 845 16.972 -22.951 24.472 1.00 31.14 C ATOM 849 O ARG A 845 16.175 -23.882 24.574 1.00 34.11 O ATOM 850 CB ARG A 845 15.920 -20.690 24.504 1.00 50.33 C ATOM 851 CG ARG A 845 15.057 -19.752 23.658 1.00 54.24 C ATOM 852 CD ARG A 845 15.895 -19.054 22.584 1.00 13.14 C ATOM 853 NE ARG A 845 16.717 -17.988 23.198 1.00 0.45 N ATOM 854 CZ ARG A 845 17.469 -17.113 22.497 1.00 52.11 C ATOM 855 NH1 ARG A 845 17.508 -17.171 21.149 1.00 44.23 N ATOM 856 NH2 ARG A 845 18.165 -16.200 23.149 1.00 73.20 N ATOM 0 H ARG A 845 14.822 -22.289 22.726 1.00 64.31 H new ATOM 0 HA ARG A 845 17.543 -21.283 23.231 1.00 4.51 H new ATOM 0 HB2 ARG A 845 15.297 -21.198 25.240 1.00 50.33 H new ATOM 0 HB3 ARG A 845 16.659 -20.110 25.057 1.00 50.33 H new ATOM 0 HG2 ARG A 845 14.254 -20.318 23.186 1.00 54.24 H new ATOM 0 HG3 ARG A 845 14.588 -19.006 24.300 1.00 54.24 H new ATOM 0 HD2 ARG A 845 16.538 -19.779 22.085 1.00 13.14 H new ATOM 0 HD3 ARG A 845 15.243 -18.628 21.822 1.00 13.14 H new ATOM 0 HE ARG A 845 16.715 -17.909 24.215 1.00 0.45 H new ATOM 0 HH11 ARG A 845 16.967 -17.879 20.653 1.00 44.23 H new ATOM 0 HH12 ARG A 845 18.079 -16.506 20.626 1.00 44.23 H new ATOM 0 HH21 ARG A 845 18.130 -16.163 24.168 1.00 73.20 H new ATOM 0 HH22 ARG A 845 18.738 -15.532 22.634 1.00 73.20 H new ATOM 869 N PRO A 846 18.191 -22.912 25.074 1.00 42.15 N ATOM 870 CA PRO A 846 18.650 -24.010 25.908 1.00 51.43 C ATOM 871 C PRO A 846 17.942 -24.000 27.264 1.00 23.42 C ATOM 872 O PRO A 846 16.903 -23.362 27.422 1.00 51.22 O ATOM 873 CB PRO A 846 20.153 -23.816 26.021 1.00 63.35 C ATOM 874 CG PRO A 846 20.417 -22.369 25.638 1.00 64.25 C ATOM 875 CD PRO A 846 19.162 -21.826 24.975 1.00 12.35 C ATOM 0 HA PRO A 846 18.419 -24.987 25.483 1.00 51.43 H new ATOM 0 HB2 PRO A 846 20.498 -24.021 27.034 1.00 63.35 H new ATOM 0 HB3 PRO A 846 20.686 -24.499 25.359 1.00 63.35 H new ATOM 0 HG2 PRO A 846 20.668 -21.780 26.520 1.00 64.25 H new ATOM 0 HG3 PRO A 846 21.267 -22.303 24.959 1.00 64.25 H new ATOM 0 HD2 PRO A 846 18.805 -20.928 25.479 1.00 12.35 H new ATOM 0 HD3 PRO A 846 19.349 -21.555 23.936 1.00 12.35 H new ATOM 883 N HIS A 847 18.534 -24.716 28.209 1.00 30.12 N ATOM 884 CA HIS A 847 17.973 -24.798 29.547 1.00 24.32 C ATOM 885 C HIS A 847 16.645 -25.555 29.501 1.00 33.44 C ATOM 886 O HIS A 847 15.584 -24.948 29.367 1.00 12.43 O ATOM 887 CB HIS A 847 17.841 -23.406 30.167 1.00 3.23 C ATOM 888 CG HIS A 847 19.053 -22.967 30.955 1.00 14.10 C ATOM 889 ND1 HIS A 847 19.189 -23.201 32.312 1.00 3.22 N ATOM 890 CD2 HIS A 847 20.180 -22.308 30.562 1.00 3.23 C ATOM 891 CE1 HIS A 847 20.350 -22.700 32.708 1.00 2.11 C ATOM 892 NE2 HIS A 847 20.963 -22.146 31.622 1.00 34.43 N ATOM 0 H HIS A 847 19.396 -25.244 28.075 1.00 30.12 H new ATOM 0 HA HIS A 847 18.648 -25.358 30.194 1.00 24.32 H new ATOM 0 HB2 HIS A 847 17.655 -22.682 29.374 1.00 3.23 H new ATOM 0 HB3 HIS A 847 16.970 -23.392 30.822 1.00 3.23 H new ATOM 0 HD2 HIS A 847 20.399 -21.974 29.558 1.00 3.23 H new ATOM 0 HE1 HIS A 847 20.742 -22.726 33.714 1.00 2.11 H new ATOM 0 HE2 HIS A 847 21.872 -21.684 31.624 1.00 34.43 H new ATOM 900 N PRO A 848 16.749 -26.906 29.618 1.00 31.43 N ATOM 901 CA PRO A 848 15.568 -27.753 29.592 1.00 65.25 C ATOM 902 C PRO A 848 14.799 -27.664 30.911 1.00 3.51 C ATOM 903 O PRO A 848 15.000 -26.732 31.689 1.00 54.45 O ATOM 904 CB PRO A 848 16.093 -29.150 29.303 1.00 20.34 C ATOM 905 CG PRO A 848 17.575 -29.117 29.640 1.00 40.32 C ATOM 906 CD PRO A 848 17.989 -27.661 29.779 1.00 54.35 C ATOM 0 HA PRO A 848 14.848 -27.447 28.833 1.00 65.25 H new ATOM 0 HB2 PRO A 848 15.572 -29.895 29.905 1.00 20.34 H new ATOM 0 HB3 PRO A 848 15.936 -29.418 28.258 1.00 20.34 H new ATOM 0 HG2 PRO A 848 17.768 -29.659 30.566 1.00 40.32 H new ATOM 0 HG3 PRO A 848 18.155 -29.606 28.858 1.00 40.32 H new ATOM 0 HD2 PRO A 848 18.446 -27.470 30.750 1.00 54.35 H new ATOM 0 HD3 PRO A 848 18.723 -27.384 29.022 1.00 54.35 H new ATOM 914 N LYS A 849 13.935 -28.645 31.123 1.00 23.33 N ATOM 915 CA LYS A 849 13.135 -28.689 32.335 1.00 22.15 C ATOM 916 C LYS A 849 13.202 -30.095 32.935 1.00 23.12 C ATOM 917 O LYS A 849 13.537 -31.054 32.242 1.00 64.21 O ATOM 918 CB LYS A 849 11.710 -28.208 32.055 1.00 43.24 C ATOM 919 CG LYS A 849 11.617 -26.684 32.155 1.00 54.25 C ATOM 920 CD LYS A 849 11.652 -26.227 33.614 1.00 11.13 C ATOM 921 CE LYS A 849 11.578 -24.702 33.713 1.00 1.13 C ATOM 922 NZ LYS A 849 12.806 -24.087 33.163 1.00 44.35 N ATOM 0 H LYS A 849 13.771 -29.416 30.476 1.00 23.33 H new ATOM 0 HA LYS A 849 13.537 -28.004 33.081 1.00 22.15 H new ATOM 0 HB2 LYS A 849 11.402 -28.530 31.060 1.00 43.24 H new ATOM 0 HB3 LYS A 849 11.022 -28.665 32.766 1.00 43.24 H new ATOM 0 HG2 LYS A 849 12.443 -26.229 31.608 1.00 54.25 H new ATOM 0 HG3 LYS A 849 10.696 -26.341 31.685 1.00 54.25 H new ATOM 0 HD2 LYS A 849 10.818 -26.671 34.158 1.00 11.13 H new ATOM 0 HD3 LYS A 849 12.567 -26.582 34.088 1.00 11.13 H new ATOM 0 HE2 LYS A 849 10.707 -24.338 33.168 1.00 1.13 H new ATOM 0 HE3 LYS A 849 11.450 -24.405 34.754 1.00 1.13 H new ATOM 0 HZ1 LYS A 849 12.851 -23.087 33.446 1.00 44.35 H new ATOM 0 HZ2 LYS A 849 13.640 -24.589 33.530 1.00 44.35 H new ATOM 0 HZ3 LYS A 849 12.792 -24.152 32.125 1.00 44.35 H new ATOM 935 N PRO A 850 12.870 -30.175 34.251 1.00 12.05 N ATOM 936 CA PRO A 850 12.889 -31.448 34.952 1.00 1.44 C ATOM 937 C PRO A 850 11.686 -32.308 34.560 1.00 10.25 C ATOM 938 O PRO A 850 11.634 -33.493 34.884 1.00 21.33 O ATOM 939 CB PRO A 850 12.904 -31.084 36.428 1.00 12.21 C ATOM 940 CG PRO A 850 12.424 -29.643 36.507 1.00 24.51 C ATOM 941 CD PRO A 850 12.468 -29.060 35.104 1.00 30.12 C ATOM 0 HA PRO A 850 13.757 -32.056 34.697 1.00 1.44 H new ATOM 0 HB2 PRO A 850 12.252 -31.745 37.000 1.00 12.21 H new ATOM 0 HB3 PRO A 850 13.906 -31.185 36.845 1.00 12.21 H new ATOM 0 HG2 PRO A 850 11.411 -29.599 36.907 1.00 24.51 H new ATOM 0 HG3 PRO A 850 13.058 -29.066 37.180 1.00 24.51 H new ATOM 0 HD2 PRO A 850 11.496 -28.666 34.808 1.00 30.12 H new ATOM 0 HD3 PRO A 850 13.179 -28.236 35.040 1.00 30.12 H new ATOM 949 N LYS A 851 10.748 -31.677 33.869 1.00 63.11 N ATOM 950 CA LYS A 851 9.549 -32.370 33.429 1.00 1.13 C ATOM 951 C LYS A 851 9.842 -33.107 32.121 1.00 31.31 C ATOM 952 O LYS A 851 10.238 -32.492 31.133 1.00 51.44 O ATOM 953 CB LYS A 851 8.372 -31.397 33.337 1.00 72.13 C ATOM 954 CG LYS A 851 7.936 -30.929 34.727 1.00 65.21 C ATOM 955 CD LYS A 851 7.046 -31.974 35.403 1.00 1.20 C ATOM 956 CE LYS A 851 6.441 -31.424 36.696 1.00 24.14 C ATOM 957 NZ LYS A 851 5.424 -30.392 36.395 1.00 4.22 N ATOM 0 H LYS A 851 10.794 -30.693 33.603 1.00 63.11 H new ATOM 0 HA LYS A 851 9.254 -33.123 34.160 1.00 1.13 H new ATOM 0 HB2 LYS A 851 8.654 -30.536 32.732 1.00 72.13 H new ATOM 0 HB3 LYS A 851 7.535 -31.880 32.833 1.00 72.13 H new ATOM 0 HG2 LYS A 851 8.815 -30.741 35.344 1.00 65.21 H new ATOM 0 HG3 LYS A 851 7.397 -29.985 34.644 1.00 65.21 H new ATOM 0 HD2 LYS A 851 6.249 -32.273 34.723 1.00 1.20 H new ATOM 0 HD3 LYS A 851 7.630 -32.868 35.622 1.00 1.20 H new ATOM 0 HE2 LYS A 851 5.987 -32.235 37.266 1.00 24.14 H new ATOM 0 HE3 LYS A 851 7.227 -30.998 37.319 1.00 24.14 H new ATOM 0 HZ1 LYS A 851 4.828 -30.237 37.233 1.00 4.22 H new ATOM 0 HZ2 LYS A 851 5.898 -29.503 36.138 1.00 4.22 H new ATOM 0 HZ3 LYS A 851 4.831 -30.710 35.602 1.00 4.22 H new ATOM 970 N GLN A 852 9.636 -34.416 32.157 1.00 11.55 N ATOM 971 CA GLN A 852 9.873 -35.243 30.987 1.00 31.41 C ATOM 972 C GLN A 852 8.627 -36.068 30.659 1.00 32.53 C ATOM 973 O GLN A 852 7.872 -36.442 31.556 1.00 52.23 O ATOM 974 CB GLN A 852 11.090 -36.147 31.192 1.00 44.11 C ATOM 975 CG GLN A 852 11.779 -36.450 29.860 1.00 74.25 C ATOM 976 CD GLN A 852 12.503 -35.214 29.323 1.00 63.11 C ATOM 977 OE1 GLN A 852 12.183 -34.084 29.651 1.00 10.53 O ATOM 978 NE2 GLN A 852 13.495 -35.491 28.481 1.00 23.35 N ATOM 0 H GLN A 852 9.308 -34.924 32.979 1.00 11.55 H new ATOM 0 HA GLN A 852 10.085 -34.589 30.141 1.00 31.41 H new ATOM 0 HB2 GLN A 852 11.795 -35.665 31.869 1.00 44.11 H new ATOM 0 HB3 GLN A 852 10.780 -37.079 31.665 1.00 44.11 H new ATOM 0 HG2 GLN A 852 12.491 -37.264 29.992 1.00 74.25 H new ATOM 0 HG3 GLN A 852 11.040 -36.788 29.133 1.00 74.25 H new ATOM 0 HE21 GLN A 852 13.711 -36.460 28.249 1.00 23.35 H new ATOM 0 HE22 GLN A 852 14.040 -34.734 28.068 1.00 23.35 H new ATOM 987 N PHE A 853 8.450 -36.329 29.372 1.00 1.24 N ATOM 988 CA PHE A 853 7.308 -37.103 28.915 1.00 5.12 C ATOM 989 C PHE A 853 7.723 -38.531 28.556 1.00 32.43 C ATOM 990 O PHE A 853 8.884 -38.903 28.716 1.00 23.32 O ATOM 991 CB PHE A 853 6.772 -36.410 27.661 1.00 35.03 C ATOM 992 CG PHE A 853 5.811 -35.255 27.952 1.00 43.33 C ATOM 993 CD1 PHE A 853 6.084 -34.380 28.957 1.00 31.31 C ATOM 994 CD2 PHE A 853 4.685 -35.102 27.204 1.00 23.25 C ATOM 995 CE1 PHE A 853 5.193 -33.308 29.227 1.00 72.14 C ATOM 996 CE2 PHE A 853 3.794 -34.030 27.474 1.00 1.00 C ATOM 997 CZ PHE A 853 4.067 -33.156 28.479 1.00 13.44 C ATOM 0 H PHE A 853 9.078 -36.018 28.631 1.00 1.24 H new ATOM 0 HA PHE A 853 6.556 -37.158 29.702 1.00 5.12 H new ATOM 0 HB2 PHE A 853 7.613 -36.032 27.080 1.00 35.03 H new ATOM 0 HB3 PHE A 853 6.261 -37.147 27.041 1.00 35.03 H new ATOM 0 HD1 PHE A 853 6.979 -34.501 29.550 1.00 31.31 H new ATOM 0 HD2 PHE A 853 4.469 -35.796 26.405 1.00 23.25 H new ATOM 0 HE1 PHE A 853 5.409 -32.614 30.026 1.00 72.14 H new ATOM 0 HE2 PHE A 853 2.899 -33.909 26.881 1.00 1.00 H new ATOM 0 HZ PHE A 853 3.389 -32.340 28.684 1.00 13.44 H new ATOM 1007 N SER A 854 6.750 -39.293 28.078 1.00 60.11 N ATOM 1008 CA SER A 854 6.999 -40.672 27.695 1.00 21.50 C ATOM 1009 C SER A 854 7.026 -40.796 26.170 1.00 12.42 C ATOM 1010 O SER A 854 7.894 -41.466 25.613 1.00 12.21 O ATOM 1011 CB SER A 854 5.941 -41.607 28.285 1.00 61.34 C ATOM 1012 OG SER A 854 5.481 -41.158 29.556 1.00 30.14 O ATOM 0 H SER A 854 5.788 -38.981 27.947 1.00 60.11 H new ATOM 0 HA SER A 854 7.969 -40.967 28.094 1.00 21.50 H new ATOM 0 HB2 SER A 854 5.097 -41.679 27.599 1.00 61.34 H new ATOM 0 HB3 SER A 854 6.358 -42.609 28.384 1.00 61.34 H new ATOM 0 HG SER A 854 4.806 -41.780 29.898 1.00 30.14 H new ATOM 1018 N SER A 855 6.064 -40.138 25.539 1.00 64.34 N ATOM 1019 CA SER A 855 5.967 -40.166 24.089 1.00 13.41 C ATOM 1020 C SER A 855 7.109 -39.355 23.472 1.00 34.42 C ATOM 1021 O SER A 855 7.893 -39.882 22.685 1.00 44.11 O ATOM 1022 CB SER A 855 4.616 -39.623 23.618 1.00 60.12 C ATOM 1023 OG SER A 855 3.537 -40.472 24.001 1.00 51.54 O ATOM 0 H SER A 855 5.346 -39.583 26.005 1.00 64.34 H new ATOM 0 HA SER A 855 6.047 -41.202 23.760 1.00 13.41 H new ATOM 0 HB2 SER A 855 4.460 -38.628 24.035 1.00 60.12 H new ATOM 0 HB3 SER A 855 4.626 -39.516 22.533 1.00 60.12 H new ATOM 0 HG SER A 855 2.692 -40.090 23.684 1.00 51.54 H new ATOM 1029 N PHE A 856 7.165 -38.088 23.853 1.00 2.24 N ATOM 1030 CA PHE A 856 8.198 -37.200 23.348 1.00 40.44 C ATOM 1031 C PHE A 856 9.164 -36.791 24.462 1.00 61.53 C ATOM 1032 O PHE A 856 8.943 -37.113 25.628 1.00 24.22 O ATOM 1033 CB PHE A 856 7.493 -35.950 22.817 1.00 13.11 C ATOM 1034 CG PHE A 856 6.967 -36.092 21.387 1.00 3.31 C ATOM 1035 CD1 PHE A 856 6.183 -37.151 21.053 1.00 54.11 C ATOM 1036 CD2 PHE A 856 7.285 -35.158 20.450 1.00 31.33 C ATOM 1037 CE1 PHE A 856 5.695 -37.282 19.726 1.00 72.42 C ATOM 1038 CE2 PHE A 856 6.797 -35.290 19.123 1.00 1.23 C ATOM 1039 CZ PHE A 856 6.012 -36.349 18.789 1.00 64.00 C ATOM 0 H PHE A 856 6.512 -37.655 24.506 1.00 2.24 H new ATOM 0 HA PHE A 856 8.774 -37.704 22.572 1.00 40.44 H new ATOM 0 HB2 PHE A 856 6.660 -35.707 23.477 1.00 13.11 H new ATOM 0 HB3 PHE A 856 8.186 -35.110 22.856 1.00 13.11 H new ATOM 0 HD1 PHE A 856 5.931 -37.893 21.797 1.00 54.11 H new ATOM 0 HD2 PHE A 856 7.908 -34.317 20.715 1.00 31.33 H new ATOM 0 HE1 PHE A 856 5.072 -38.123 19.461 1.00 72.42 H new ATOM 0 HE2 PHE A 856 7.049 -34.549 18.379 1.00 1.23 H new ATOM 0 HZ PHE A 856 5.640 -36.449 17.780 1.00 64.00 H new ATOM 1049 N GLU A 857 10.214 -36.089 24.063 1.00 42.03 N ATOM 1050 CA GLU A 857 11.215 -35.633 25.013 1.00 73.51 C ATOM 1051 C GLU A 857 11.772 -34.274 24.586 1.00 21.11 C ATOM 1052 O GLU A 857 12.531 -34.185 23.622 1.00 74.32 O ATOM 1053 CB GLU A 857 12.336 -36.663 25.164 1.00 63.01 C ATOM 1054 CG GLU A 857 12.650 -37.332 23.824 1.00 24.23 C ATOM 1055 CD GLU A 857 13.914 -38.190 23.923 1.00 52.54 C ATOM 1056 OE1 GLU A 857 13.863 -39.310 24.451 1.00 1.04 O ATOM 1057 OE2 GLU A 857 14.976 -37.654 23.424 1.00 3.13 O ATOM 0 H GLU A 857 10.394 -35.825 23.094 1.00 42.03 H new ATOM 0 HA GLU A 857 10.739 -35.518 25.987 1.00 73.51 H new ATOM 0 HB2 GLU A 857 13.232 -36.177 25.551 1.00 63.01 H new ATOM 0 HB3 GLU A 857 12.044 -37.419 25.893 1.00 63.01 H new ATOM 0 HG2 GLU A 857 11.808 -37.952 23.517 1.00 24.23 H new ATOM 0 HG3 GLU A 857 12.782 -36.571 23.055 1.00 24.23 H new ATOM 1065 N LYS A 858 11.375 -33.249 25.325 1.00 55.20 N ATOM 1066 CA LYS A 858 11.825 -31.898 25.035 1.00 71.10 C ATOM 1067 C LYS A 858 13.065 -31.587 25.875 1.00 23.31 C ATOM 1068 O LYS A 858 13.169 -32.023 27.021 1.00 72.54 O ATOM 1069 CB LYS A 858 10.683 -30.899 25.231 1.00 1.22 C ATOM 1070 CG LYS A 858 10.263 -30.827 26.701 1.00 64.42 C ATOM 1071 CD LYS A 858 9.224 -29.727 26.921 1.00 12.34 C ATOM 1072 CE LYS A 858 8.359 -30.027 28.148 1.00 43.25 C ATOM 1073 NZ LYS A 858 9.173 -30.649 29.216 1.00 43.41 N ATOM 0 H LYS A 858 10.746 -33.327 26.125 1.00 55.20 H new ATOM 0 HA LYS A 858 12.118 -31.810 23.989 1.00 71.10 H new ATOM 0 HB2 LYS A 858 10.996 -29.912 24.890 1.00 1.22 H new ATOM 0 HB3 LYS A 858 9.830 -31.192 24.619 1.00 1.22 H new ATOM 0 HG2 LYS A 858 9.853 -31.787 27.013 1.00 64.42 H new ATOM 0 HG3 LYS A 858 11.137 -30.636 27.324 1.00 64.42 H new ATOM 0 HD2 LYS A 858 9.726 -28.768 27.051 1.00 12.34 H new ATOM 0 HD3 LYS A 858 8.591 -29.638 26.038 1.00 12.34 H new ATOM 0 HE2 LYS A 858 7.908 -29.106 28.516 1.00 43.25 H new ATOM 0 HE3 LYS A 858 7.542 -30.693 27.870 1.00 43.25 H new ATOM 0 HZ1 LYS A 858 8.714 -30.495 30.136 1.00 43.41 H new ATOM 0 HZ2 LYS A 858 9.258 -31.670 29.038 1.00 43.41 H new ATOM 0 HZ3 LYS A 858 10.120 -30.220 29.225 1.00 43.41 H new ATOM 1086 N ARG A 859 13.975 -30.836 25.273 1.00 4.22 N ATOM 1087 CA ARG A 859 15.205 -30.462 25.952 1.00 54.43 C ATOM 1088 C ARG A 859 15.477 -28.967 25.771 1.00 14.23 C ATOM 1089 O ARG A 859 16.549 -28.480 26.126 1.00 30.14 O ATOM 1090 CB ARG A 859 16.395 -31.258 25.414 1.00 70.12 C ATOM 1091 CG ARG A 859 16.340 -32.713 25.886 1.00 53.54 C ATOM 1092 CD ARG A 859 17.305 -33.587 25.083 1.00 42.54 C ATOM 1093 NE ARG A 859 17.270 -34.977 25.589 1.00 52.22 N ATOM 1094 CZ ARG A 859 17.876 -35.385 26.724 1.00 44.33 C ATOM 1095 NH1 ARG A 859 18.572 -34.510 27.481 1.00 31.23 N ATOM 1096 NH2 ARG A 859 17.779 -36.652 27.081 1.00 4.45 N ATOM 0 H ARG A 859 13.886 -30.476 24.323 1.00 4.22 H new ATOM 0 HA ARG A 859 15.081 -30.687 27.011 1.00 54.43 H new ATOM 0 HB2 ARG A 859 16.396 -31.225 24.324 1.00 70.12 H new ATOM 0 HB3 ARG A 859 17.325 -30.799 25.748 1.00 70.12 H new ATOM 0 HG2 ARG A 859 16.592 -32.765 26.945 1.00 53.54 H new ATOM 0 HG3 ARG A 859 15.325 -33.095 25.781 1.00 53.54 H new ATOM 0 HD2 ARG A 859 17.033 -33.569 24.028 1.00 42.54 H new ATOM 0 HD3 ARG A 859 18.317 -33.189 25.158 1.00 42.54 H new ATOM 0 HE ARG A 859 16.756 -35.670 25.046 1.00 52.22 H new ATOM 0 HH11 ARG A 859 18.643 -33.533 27.196 1.00 31.23 H new ATOM 0 HH12 ARG A 859 19.027 -34.826 28.337 1.00 31.23 H new ATOM 0 HH21 ARG A 859 17.252 -37.306 26.502 1.00 4.45 H new ATOM 0 HH22 ARG A 859 18.231 -36.977 27.936 1.00 4.45 H new ATOM 1109 N ALA A 860 14.487 -28.280 25.219 1.00 31.15 N ATOM 1110 CA ALA A 860 14.606 -26.851 24.988 1.00 41.34 C ATOM 1111 C ALA A 860 13.257 -26.300 24.520 1.00 23.02 C ATOM 1112 O ALA A 860 12.447 -27.031 23.952 1.00 25.22 O ATOM 1113 CB ALA A 860 15.725 -26.589 23.977 1.00 13.32 C ATOM 0 H ALA A 860 13.599 -28.687 24.925 1.00 31.15 H new ATOM 0 HA ALA A 860 14.871 -26.334 25.910 1.00 41.34 H new ATOM 0 HB1 ALA A 860 15.815 -25.517 23.803 1.00 13.32 H new ATOM 0 HB2 ALA A 860 16.667 -26.973 24.369 1.00 13.32 H new ATOM 0 HB3 ALA A 860 15.492 -27.090 23.038 1.00 13.32 H new ATOM 1119 N LYS A 861 13.058 -25.016 24.776 1.00 13.45 N ATOM 1120 CA LYS A 861 11.821 -24.358 24.389 1.00 30.50 C ATOM 1121 C LYS A 861 12.041 -23.598 23.080 1.00 2.30 C ATOM 1122 O LYS A 861 13.053 -22.919 22.915 1.00 5.53 O ATOM 1123 CB LYS A 861 11.300 -23.482 25.530 1.00 51.13 C ATOM 1124 CG LYS A 861 10.694 -24.336 26.645 1.00 72.41 C ATOM 1125 CD LYS A 861 11.627 -25.489 27.021 1.00 72.32 C ATOM 1126 CE LYS A 861 11.248 -26.081 28.380 1.00 55.40 C ATOM 1127 NZ LYS A 861 11.755 -25.226 29.477 1.00 60.13 N ATOM 0 H LYS A 861 13.733 -24.413 25.247 1.00 13.45 H new ATOM 0 HA LYS A 861 11.040 -25.095 24.202 1.00 30.50 H new ATOM 0 HB2 LYS A 861 12.115 -22.879 25.931 1.00 51.13 H new ATOM 0 HB3 LYS A 861 10.549 -22.790 25.148 1.00 51.13 H new ATOM 0 HG2 LYS A 861 10.505 -23.716 27.521 1.00 72.41 H new ATOM 0 HG3 LYS A 861 9.732 -24.733 26.322 1.00 72.41 H new ATOM 0 HD2 LYS A 861 11.579 -26.264 26.256 1.00 72.32 H new ATOM 0 HD3 LYS A 861 12.657 -25.133 27.050 1.00 72.32 H new ATOM 0 HE2 LYS A 861 10.164 -26.173 28.454 1.00 55.40 H new ATOM 0 HE3 LYS A 861 11.660 -27.086 28.474 1.00 55.40 H new ATOM 0 HZ1 LYS A 861 11.022 -25.128 30.208 1.00 60.13 H new ATOM 0 HZ2 LYS A 861 12.603 -25.661 29.893 1.00 60.13 H new ATOM 0 HZ3 LYS A 861 11.997 -24.287 29.102 1.00 60.13 H new ATOM 1140 N ILE A 862 11.077 -23.737 22.182 1.00 13.14 N ATOM 1141 CA ILE A 862 11.152 -23.071 20.893 1.00 25.11 C ATOM 1142 C ILE A 862 10.114 -21.949 20.842 1.00 51.23 C ATOM 1143 O ILE A 862 8.975 -22.132 21.267 1.00 34.53 O ATOM 1144 CB ILE A 862 11.017 -24.087 19.757 1.00 50.21 C ATOM 1145 CG1 ILE A 862 9.561 -24.523 19.582 1.00 11.00 C ATOM 1146 CG2 ILE A 862 11.951 -25.279 19.973 1.00 34.54 C ATOM 1147 CD1 ILE A 862 8.865 -23.690 18.504 1.00 72.34 C ATOM 0 H ILE A 862 10.239 -24.302 22.322 1.00 13.14 H new ATOM 0 HA ILE A 862 12.129 -22.607 20.760 1.00 25.11 H new ATOM 0 HB ILE A 862 11.322 -23.604 18.829 1.00 50.21 H new ATOM 0 HG12 ILE A 862 9.524 -25.578 19.312 1.00 11.00 H new ATOM 0 HG13 ILE A 862 9.030 -24.417 20.528 1.00 11.00 H new ATOM 0 HG21 ILE A 862 11.835 -25.986 19.151 1.00 34.54 H new ATOM 0 HG22 ILE A 862 12.983 -24.931 20.009 1.00 34.54 H new ATOM 0 HG23 ILE A 862 11.701 -25.771 20.913 1.00 34.54 H new ATOM 0 HD11 ILE A 862 7.832 -24.020 18.400 1.00 72.34 H new ATOM 0 HD12 ILE A 862 8.883 -22.638 18.789 1.00 72.34 H new ATOM 0 HD13 ILE A 862 9.384 -23.817 17.554 1.00 72.34 H new ATOM 1159 N PHE A 863 10.545 -20.811 20.317 1.00 14.00 N ATOM 1160 CA PHE A 863 9.666 -19.659 20.205 1.00 43.15 C ATOM 1161 C PHE A 863 9.804 -18.996 18.832 1.00 20.42 C ATOM 1162 O PHE A 863 10.618 -19.420 18.013 1.00 32.31 O ATOM 1163 CB PHE A 863 10.095 -18.663 21.284 1.00 52.22 C ATOM 1164 CG PHE A 863 10.302 -19.291 22.664 1.00 74.04 C ATOM 1165 CD1 PHE A 863 9.236 -19.498 23.483 1.00 2.32 C ATOM 1166 CD2 PHE A 863 11.551 -19.643 23.070 1.00 12.43 C ATOM 1167 CE1 PHE A 863 9.428 -20.081 24.764 1.00 41.33 C ATOM 1168 CE2 PHE A 863 11.743 -20.226 24.351 1.00 52.42 C ATOM 1169 CZ PHE A 863 10.677 -20.432 25.171 1.00 63.35 C ATOM 0 H PHE A 863 11.491 -20.662 19.965 1.00 14.00 H new ATOM 0 HA PHE A 863 8.628 -19.969 20.327 1.00 43.15 H new ATOM 0 HB2 PHE A 863 11.022 -18.182 20.972 1.00 52.22 H new ATOM 0 HB3 PHE A 863 9.341 -17.880 21.362 1.00 52.22 H new ATOM 0 HD1 PHE A 863 8.244 -19.219 23.159 1.00 2.32 H new ATOM 0 HD2 PHE A 863 12.397 -19.479 22.419 1.00 12.43 H new ATOM 0 HE1 PHE A 863 8.582 -20.245 25.415 1.00 41.33 H new ATOM 0 HE2 PHE A 863 12.735 -20.506 24.674 1.00 52.42 H new ATOM 0 HZ PHE A 863 10.823 -20.874 26.145 1.00 63.35 H new ATOM 1179 N CYS A 864 8.996 -17.967 18.624 1.00 70.33 N ATOM 1180 CA CYS A 864 9.017 -17.242 17.365 1.00 64.12 C ATOM 1181 C CYS A 864 10.266 -16.359 17.340 1.00 25.03 C ATOM 1182 O CYS A 864 10.568 -15.676 18.318 1.00 33.42 O ATOM 1183 CB CYS A 864 7.739 -16.428 17.159 1.00 15.34 C ATOM 1184 SG CYS A 864 7.635 -15.853 15.425 1.00 13.52 S ATOM 0 H CYS A 864 8.323 -17.618 19.306 1.00 70.33 H new ATOM 0 HA CYS A 864 9.056 -17.949 16.536 1.00 64.12 H new ATOM 0 HB2 CYS A 864 6.868 -17.036 17.402 1.00 15.34 H new ATOM 0 HB3 CYS A 864 7.730 -15.573 17.835 1.00 15.34 H new ATOM 0 HG CYS A 864 6.456 -15.351 15.204 1.00 13.52 H new ATOM 1190 N ALA A 865 10.960 -16.401 16.212 1.00 11.11 N ATOM 1191 CA ALA A 865 12.170 -15.613 16.047 1.00 14.04 C ATOM 1192 C ALA A 865 11.806 -14.127 16.025 1.00 40.01 C ATOM 1193 O ALA A 865 12.676 -13.269 16.168 1.00 31.22 O ATOM 1194 CB ALA A 865 12.897 -16.054 14.776 1.00 25.51 C ATOM 0 H ALA A 865 10.707 -16.969 15.403 1.00 11.11 H new ATOM 0 HA ALA A 865 12.850 -15.774 16.884 1.00 14.04 H new ATOM 0 HB1 ALA A 865 13.804 -15.463 14.652 1.00 25.51 H new ATOM 0 HB2 ALA A 865 13.159 -17.109 14.854 1.00 25.51 H new ATOM 0 HB3 ALA A 865 12.246 -15.905 13.914 1.00 25.51 H new ATOM 1200 N ARG A 866 10.519 -13.868 15.844 1.00 64.01 N ATOM 1201 CA ARG A 866 10.030 -12.501 15.801 1.00 40.52 C ATOM 1202 C ARG A 866 10.231 -11.822 17.157 1.00 13.13 C ATOM 1203 O ARG A 866 10.787 -12.419 18.078 1.00 40.13 O ATOM 1204 CB ARG A 866 8.546 -12.458 15.432 1.00 71.04 C ATOM 1205 CG ARG A 866 8.290 -13.179 14.106 1.00 13.43 C ATOM 1206 CD ARG A 866 8.431 -12.218 12.924 1.00 54.12 C ATOM 1207 NE ARG A 866 7.378 -11.179 12.988 1.00 64.15 N ATOM 1208 CZ ARG A 866 7.114 -10.308 11.991 1.00 51.30 C ATOM 1209 NH1 ARG A 866 7.824 -10.343 10.843 1.00 30.04 N ATOM 1210 NH2 ARG A 866 6.151 -9.420 12.156 1.00 75.44 N ATOM 0 H ARG A 866 9.800 -14.582 15.725 1.00 64.01 H new ATOM 0 HA ARG A 866 10.598 -11.970 15.037 1.00 40.52 H new ATOM 0 HB2 ARG A 866 7.957 -12.923 16.223 1.00 71.04 H new ATOM 0 HB3 ARG A 866 8.216 -11.422 15.356 1.00 71.04 H new ATOM 0 HG2 ARG A 866 8.994 -14.004 13.995 1.00 13.43 H new ATOM 0 HG3 ARG A 866 7.290 -13.612 14.110 1.00 13.43 H new ATOM 0 HD2 ARG A 866 9.416 -11.751 12.940 1.00 54.12 H new ATOM 0 HD3 ARG A 866 8.354 -12.768 11.986 1.00 54.12 H new ATOM 0 HE ARG A 866 6.817 -11.118 13.838 1.00 64.15 H new ATOM 0 HH11 ARG A 866 8.567 -11.032 10.724 1.00 30.04 H new ATOM 0 HH12 ARG A 866 7.617 -9.681 10.095 1.00 30.04 H new ATOM 0 HH21 ARG A 866 5.620 -9.400 13.027 1.00 75.44 H new ATOM 0 HH22 ARG A 866 5.938 -8.754 11.413 1.00 75.44 H new ATOM 1223 N GLN A 867 9.767 -10.584 17.238 1.00 13.40 N ATOM 1224 CA GLN A 867 9.888 -9.817 18.467 1.00 63.43 C ATOM 1225 C GLN A 867 9.259 -10.582 19.633 1.00 11.42 C ATOM 1226 O GLN A 867 9.683 -10.433 20.778 1.00 12.42 O ATOM 1227 CB GLN A 867 9.256 -8.432 18.314 1.00 64.40 C ATOM 1228 CG GLN A 867 10.225 -7.459 17.639 1.00 60.21 C ATOM 1229 CD GLN A 867 9.466 -6.363 16.889 1.00 44.44 C ATOM 1230 OE1 GLN A 867 8.332 -6.035 17.196 1.00 20.10 O ATOM 1231 NE2 GLN A 867 10.154 -5.815 15.890 1.00 32.42 N ATOM 0 H GLN A 867 9.306 -10.092 16.472 1.00 13.40 H new ATOM 0 HA GLN A 867 10.947 -9.674 18.681 1.00 63.43 H new ATOM 0 HB2 GLN A 867 8.342 -8.508 17.725 1.00 64.40 H new ATOM 0 HB3 GLN A 867 8.972 -8.047 19.294 1.00 64.40 H new ATOM 0 HG2 GLN A 867 10.875 -7.008 18.389 1.00 60.21 H new ATOM 0 HG3 GLN A 867 10.867 -8.002 16.945 1.00 60.21 H new ATOM 0 HE21 GLN A 867 11.100 -6.136 15.686 1.00 32.42 H new ATOM 0 HE22 GLN A 867 9.735 -5.074 15.329 1.00 32.42 H new ATOM 1240 N ASN A 868 8.257 -11.383 19.302 1.00 23.21 N ATOM 1241 CA ASN A 868 7.565 -12.171 20.308 1.00 3.01 C ATOM 1242 C ASN A 868 8.292 -13.504 20.494 1.00 23.35 C ATOM 1243 O ASN A 868 8.176 -14.401 19.660 1.00 4.41 O ATOM 1244 CB ASN A 868 6.128 -12.472 19.879 1.00 30.20 C ATOM 1245 CG ASN A 868 5.535 -11.303 19.090 1.00 13.04 C ATOM 1246 OD1 ASN A 868 5.116 -10.298 19.641 1.00 5.20 O ATOM 1247 ND2 ASN A 868 5.522 -11.490 17.774 1.00 53.23 N ATOM 0 H ASN A 868 7.908 -11.503 18.351 1.00 23.21 H new ATOM 0 HA ASN A 868 7.552 -11.598 21.235 1.00 3.01 H new ATOM 0 HB2 ASN A 868 6.109 -13.375 19.268 1.00 30.20 H new ATOM 0 HB3 ASN A 868 5.516 -12.669 20.759 1.00 30.20 H new ATOM 0 HD21 ASN A 868 5.145 -10.768 17.160 1.00 53.23 H new ATOM 0 HD22 ASN A 868 5.889 -12.356 17.378 1.00 53.23 H new ATOM 1254 N CYS A 869 9.026 -13.593 21.594 1.00 33.13 N ATOM 1255 CA CYS A 869 9.772 -14.802 21.901 1.00 55.11 C ATOM 1256 C CYS A 869 9.081 -15.509 23.068 1.00 32.34 C ATOM 1257 O CYS A 869 9.253 -16.712 23.259 1.00 35.31 O ATOM 1258 CB CYS A 869 11.240 -14.499 22.205 1.00 11.43 C ATOM 1259 SG CYS A 869 12.263 -15.983 21.893 1.00 23.34 S ATOM 0 H CYS A 869 9.120 -12.847 22.284 1.00 33.13 H new ATOM 0 HA CYS A 869 9.778 -15.460 21.032 1.00 55.11 H new ATOM 0 HB2 CYS A 869 11.585 -13.672 21.584 1.00 11.43 H new ATOM 0 HB3 CYS A 869 11.348 -14.185 23.243 1.00 11.43 H new ATOM 0 HG CYS A 869 13.508 -15.714 22.152 1.00 23.34 H new ATOM 1265 N SER A 870 8.314 -14.732 23.819 1.00 22.45 N ATOM 1266 CA SER A 870 7.597 -15.270 24.963 1.00 11.52 C ATOM 1267 C SER A 870 6.545 -16.277 24.495 1.00 52.00 C ATOM 1268 O SER A 870 5.968 -17.000 25.306 1.00 64.20 O ATOM 1269 CB SER A 870 6.938 -14.152 25.774 1.00 32.23 C ATOM 1270 OG SER A 870 7.775 -13.004 25.880 1.00 42.12 O ATOM 0 H SER A 870 8.173 -13.735 23.658 1.00 22.45 H new ATOM 0 HA SER A 870 8.314 -15.777 25.609 1.00 11.52 H new ATOM 0 HB2 SER A 870 5.995 -13.871 25.304 1.00 32.23 H new ATOM 0 HB3 SER A 870 6.700 -14.520 26.772 1.00 32.23 H new ATOM 0 HG SER A 870 7.318 -12.313 26.403 1.00 42.12 H new ATOM 1276 N HIS A 871 6.326 -16.292 23.188 1.00 5.13 N ATOM 1277 CA HIS A 871 5.354 -17.199 22.602 1.00 11.43 C ATOM 1278 C HIS A 871 6.030 -18.530 22.268 1.00 52.11 C ATOM 1279 O HIS A 871 6.961 -18.573 21.466 1.00 63.13 O ATOM 1280 CB HIS A 871 4.675 -16.558 21.391 1.00 53.55 C ATOM 1281 CG HIS A 871 3.341 -17.171 21.038 1.00 34.13 C ATOM 1282 ND1 HIS A 871 3.149 -17.952 19.912 1.00 34.32 N ATOM 1283 CD2 HIS A 871 2.136 -17.111 21.675 1.00 10.03 C ATOM 1284 CE1 HIS A 871 1.882 -18.339 19.882 1.00 13.33 C ATOM 1285 NE2 HIS A 871 1.256 -17.816 20.975 1.00 14.25 N ATOM 0 H HIS A 871 6.805 -15.690 22.518 1.00 5.13 H new ATOM 0 HA HIS A 871 4.562 -17.405 23.322 1.00 11.43 H new ATOM 0 HB2 HIS A 871 4.534 -15.495 21.587 1.00 53.55 H new ATOM 0 HB3 HIS A 871 5.339 -16.638 20.530 1.00 53.55 H new ATOM 0 HD1 HIS A 871 3.862 -18.190 19.222 1.00 34.32 H new ATOM 0 HD2 HIS A 871 1.933 -16.580 22.593 1.00 10.03 H new ATOM 0 HE1 HIS A 871 1.425 -18.959 19.125 1.00 13.33 H new ATOM 1293 N ASP A 872 5.534 -19.584 22.900 1.00 41.42 N ATOM 1294 CA ASP A 872 6.078 -20.913 22.679 1.00 4.35 C ATOM 1295 C ASP A 872 5.127 -21.706 21.781 1.00 22.14 C ATOM 1296 O ASP A 872 4.066 -22.141 22.226 1.00 21.30 O ATOM 1297 CB ASP A 872 6.227 -21.673 23.999 1.00 51.30 C ATOM 1298 CG ASP A 872 4.976 -21.689 24.880 1.00 61.30 C ATOM 1299 OD1 ASP A 872 4.282 -22.712 24.984 1.00 10.53 O ATOM 1300 OD2 ASP A 872 4.720 -20.578 25.484 1.00 73.54 O ATOM 0 H ASP A 872 4.761 -19.544 23.565 1.00 41.42 H new ATOM 0 HA ASP A 872 7.057 -20.804 22.213 1.00 4.35 H new ATOM 0 HB2 ASP A 872 6.511 -22.702 23.779 1.00 51.30 H new ATOM 0 HB3 ASP A 872 7.046 -21.230 24.565 1.00 51.30 H new ATOM 1306 N TRP A 873 5.542 -21.870 20.534 1.00 74.33 N ATOM 1307 CA TRP A 873 4.740 -22.604 19.569 1.00 14.31 C ATOM 1308 C TRP A 873 4.590 -24.041 20.073 1.00 5.54 C ATOM 1309 O TRP A 873 3.533 -24.650 19.919 1.00 42.21 O ATOM 1310 CB TRP A 873 5.354 -22.522 18.170 1.00 11.23 C ATOM 1311 CG TRP A 873 5.383 -21.108 17.585 1.00 22.43 C ATOM 1312 CD1 TRP A 873 5.113 -19.952 18.207 1.00 71.42 C ATOM 1313 CD2 TRP A 873 5.714 -20.746 16.228 1.00 70.41 C ATOM 1314 NE1 TRP A 873 5.245 -18.876 17.353 1.00 75.20 N ATOM 1315 CE2 TRP A 873 5.622 -19.374 16.111 1.00 32.54 C ATOM 1316 CE3 TRP A 873 6.079 -21.552 15.135 1.00 41.33 C ATOM 1317 CZ2 TRP A 873 5.879 -18.687 14.919 1.00 21.40 C ATOM 1318 CZ3 TRP A 873 6.333 -20.850 13.950 1.00 11.32 C ATOM 1319 CH2 TRP A 873 6.244 -19.469 13.817 1.00 64.04 C ATOM 0 H TRP A 873 6.423 -21.508 20.169 1.00 74.33 H new ATOM 0 HA TRP A 873 3.748 -22.162 19.478 1.00 14.31 H new ATOM 0 HB2 TRP A 873 6.372 -22.909 18.208 1.00 11.23 H new ATOM 0 HB3 TRP A 873 4.791 -23.170 17.499 1.00 11.23 H new ATOM 0 HD1 TRP A 873 4.828 -19.873 19.246 1.00 71.42 H new ATOM 0 HE1 TRP A 873 5.094 -17.895 17.590 1.00 75.20 H new ATOM 0 HE3 TRP A 873 6.157 -22.627 15.204 1.00 41.33 H new ATOM 0 HZ2 TRP A 873 5.800 -17.612 14.853 1.00 21.40 H new ATOM 0 HZ3 TRP A 873 6.618 -21.421 13.079 1.00 11.32 H new ATOM 0 HH2 TRP A 873 6.456 -19.001 12.867 1.00 64.04 H new ATOM 1330 N GLY A 874 5.665 -24.540 20.666 1.00 32.21 N ATOM 1331 CA GLY A 874 5.667 -25.894 21.194 1.00 12.01 C ATOM 1332 C GLY A 874 6.905 -26.144 22.058 1.00 51.14 C ATOM 1333 O GLY A 874 7.113 -25.465 23.062 1.00 32.22 O ATOM 0 H GLY A 874 6.540 -24.031 20.792 1.00 32.21 H new ATOM 0 HA2 GLY A 874 4.767 -26.059 21.786 1.00 12.01 H new ATOM 0 HA3 GLY A 874 5.643 -26.609 20.372 1.00 12.01 H new ATOM 1337 N ILE A 875 7.695 -27.120 21.635 1.00 53.02 N ATOM 1338 CA ILE A 875 8.907 -27.468 22.357 1.00 73.01 C ATOM 1339 C ILE A 875 9.864 -28.200 21.415 1.00 63.05 C ATOM 1340 O ILE A 875 9.438 -28.773 20.413 1.00 42.53 O ATOM 1341 CB ILE A 875 8.568 -28.256 23.624 1.00 71.44 C ATOM 1342 CG1 ILE A 875 7.429 -29.246 23.366 1.00 44.43 C ATOM 1343 CG2 ILE A 875 8.256 -27.315 24.789 1.00 42.24 C ATOM 1344 CD1 ILE A 875 7.900 -30.406 22.486 1.00 53.53 C ATOM 0 H ILE A 875 7.519 -27.681 20.801 1.00 53.02 H new ATOM 0 HA ILE A 875 9.420 -26.568 22.697 1.00 73.01 H new ATOM 0 HB ILE A 875 9.444 -28.839 23.907 1.00 71.44 H new ATOM 0 HG12 ILE A 875 7.056 -29.632 24.315 1.00 44.43 H new ATOM 0 HG13 ILE A 875 6.598 -28.732 22.883 1.00 44.43 H new ATOM 0 HG21 ILE A 875 8.018 -27.901 25.677 1.00 42.24 H new ATOM 0 HG22 ILE A 875 9.123 -26.686 24.991 1.00 42.24 H new ATOM 0 HG23 ILE A 875 7.404 -26.686 24.531 1.00 42.24 H new ATOM 0 HD11 ILE A 875 7.072 -31.095 22.318 1.00 53.53 H new ATOM 0 HD12 ILE A 875 8.249 -30.018 21.529 1.00 53.53 H new ATOM 0 HD13 ILE A 875 8.715 -30.933 22.983 1.00 53.53 H new ATOM 1356 N HIS A 876 11.140 -28.158 21.769 1.00 1.31 N ATOM 1357 CA HIS A 876 12.162 -28.810 20.968 1.00 53.15 C ATOM 1358 C HIS A 876 12.371 -30.240 21.468 1.00 23.43 C ATOM 1359 O HIS A 876 13.005 -30.454 22.500 1.00 24.14 O ATOM 1360 CB HIS A 876 13.453 -27.989 20.960 1.00 33.03 C ATOM 1361 CG HIS A 876 14.228 -28.076 19.668 1.00 44.15 C ATOM 1362 ND1 HIS A 876 14.399 -26.994 18.822 1.00 45.13 N ATOM 1363 CD2 HIS A 876 14.877 -29.125 19.086 1.00 21.52 C ATOM 1364 CE1 HIS A 876 15.119 -27.386 17.781 1.00 62.31 C ATOM 1365 NE2 HIS A 876 15.414 -28.708 17.946 1.00 12.24 N ATOM 0 H HIS A 876 11.490 -27.682 22.601 1.00 1.31 H new ATOM 0 HA HIS A 876 11.833 -28.870 19.931 1.00 53.15 H new ATOM 0 HB2 HIS A 876 13.209 -26.945 21.155 1.00 33.03 H new ATOM 0 HB3 HIS A 876 14.091 -28.326 21.778 1.00 33.03 H new ATOM 0 HD2 HIS A 876 14.943 -30.126 19.485 1.00 21.52 H new ATOM 0 HE1 HIS A 876 15.420 -26.768 16.948 1.00 62.31 H new ATOM 0 HE2 HIS A 876 15.957 -29.281 17.300 1.00 12.24 H new ATOM 1373 N VAL A 877 11.826 -31.183 20.713 1.00 24.15 N ATOM 1374 CA VAL A 877 11.946 -32.587 21.068 1.00 73.34 C ATOM 1375 C VAL A 877 12.900 -33.276 20.090 1.00 73.13 C ATOM 1376 O VAL A 877 13.093 -32.805 18.970 1.00 71.52 O ATOM 1377 CB VAL A 877 10.561 -33.236 21.109 1.00 74.13 C ATOM 1378 CG1 VAL A 877 10.643 -34.726 20.772 1.00 21.34 C ATOM 1379 CG2 VAL A 877 9.893 -33.017 22.468 1.00 54.45 C ATOM 0 H VAL A 877 11.301 -31.002 19.858 1.00 24.15 H new ATOM 0 HA VAL A 877 12.371 -32.694 22.066 1.00 73.34 H new ATOM 0 HB VAL A 877 9.943 -32.755 20.351 1.00 74.13 H new ATOM 0 HG11 VAL A 877 9.645 -35.163 20.808 1.00 21.34 H new ATOM 0 HG12 VAL A 877 11.057 -34.850 19.772 1.00 21.34 H new ATOM 0 HG13 VAL A 877 11.285 -35.228 21.496 1.00 21.34 H new ATOM 0 HG21 VAL A 877 8.910 -33.488 22.470 1.00 54.45 H new ATOM 0 HG22 VAL A 877 10.509 -33.458 23.252 1.00 54.45 H new ATOM 0 HG23 VAL A 877 9.783 -31.948 22.652 1.00 54.45 H new ATOM 1389 N LYS A 878 13.471 -34.380 20.549 1.00 41.14 N ATOM 1390 CA LYS A 878 14.400 -35.138 19.728 1.00 23.34 C ATOM 1391 C LYS A 878 14.075 -36.629 19.842 1.00 12.10 C ATOM 1392 O LYS A 878 13.684 -37.103 20.908 1.00 71.15 O ATOM 1393 CB LYS A 878 15.845 -34.794 20.098 1.00 73.35 C ATOM 1394 CG LYS A 878 16.828 -35.739 19.403 1.00 32.35 C ATOM 1395 CD LYS A 878 18.248 -35.171 19.433 1.00 22.24 C ATOM 1396 CE LYS A 878 19.280 -36.259 19.130 1.00 62.04 C ATOM 1397 NZ LYS A 878 20.643 -35.684 19.091 1.00 43.24 N ATOM 0 H LYS A 878 13.308 -34.768 21.478 1.00 41.14 H new ATOM 0 HA LYS A 878 14.290 -34.866 18.678 1.00 23.34 H new ATOM 0 HB2 LYS A 878 16.062 -33.764 19.814 1.00 73.35 H new ATOM 0 HB3 LYS A 878 15.973 -34.860 21.178 1.00 73.35 H new ATOM 0 HG2 LYS A 878 16.811 -36.712 19.894 1.00 32.35 H new ATOM 0 HG3 LYS A 878 16.517 -35.897 18.370 1.00 32.35 H new ATOM 0 HD2 LYS A 878 18.337 -34.367 18.703 1.00 22.24 H new ATOM 0 HD3 LYS A 878 18.449 -34.736 20.412 1.00 22.24 H new ATOM 0 HE2 LYS A 878 19.229 -37.038 19.890 1.00 62.04 H new ATOM 0 HE3 LYS A 878 19.050 -36.730 18.174 1.00 62.04 H new ATOM 0 HZ1 LYS A 878 21.331 -36.436 18.884 1.00 43.24 H new ATOM 0 HZ2 LYS A 878 20.692 -34.956 18.349 1.00 43.24 H new ATOM 0 HZ3 LYS A 878 20.865 -35.255 20.012 1.00 43.24 H new ATOM 1410 N TYR A 879 14.248 -37.326 18.729 1.00 70.31 N ATOM 1411 CA TYR A 879 13.978 -38.753 18.690 1.00 35.51 C ATOM 1412 C TYR A 879 15.267 -39.551 18.484 1.00 41.52 C ATOM 1413 O TYR A 879 16.291 -38.991 18.094 1.00 71.54 O ATOM 1414 CB TYR A 879 13.057 -38.976 17.489 1.00 51.35 C ATOM 1415 CG TYR A 879 11.566 -38.913 17.827 1.00 62.42 C ATOM 1416 CD1 TYR A 879 11.150 -38.329 19.006 1.00 71.10 C ATOM 1417 CD2 TYR A 879 10.638 -39.441 16.953 1.00 34.41 C ATOM 1418 CE1 TYR A 879 9.747 -38.270 19.324 1.00 32.44 C ATOM 1419 CE2 TYR A 879 9.234 -39.383 17.271 1.00 5.35 C ATOM 1420 CZ TYR A 879 8.858 -38.800 18.441 1.00 23.14 C ATOM 1421 OH TYR A 879 7.533 -38.745 18.742 1.00 2.42 O ATOM 0 H TYR A 879 14.572 -36.929 17.847 1.00 70.31 H new ATOM 0 HA TYR A 879 13.530 -39.084 19.627 1.00 35.51 H new ATOM 0 HB2 TYR A 879 13.279 -38.226 16.730 1.00 51.35 H new ATOM 0 HB3 TYR A 879 13.279 -39.949 17.050 1.00 51.35 H new ATOM 0 HD1 TYR A 879 11.877 -37.916 19.690 1.00 71.10 H new ATOM 0 HD2 TYR A 879 10.964 -39.898 16.030 1.00 34.41 H new ATOM 0 HE1 TYR A 879 9.408 -37.815 20.243 1.00 32.44 H new ATOM 0 HE2 TYR A 879 8.497 -39.793 16.596 1.00 5.35 H new ATOM 0 HH TYR A 879 7.357 -37.960 19.302 1.00 2.42 H new ATOM 1431 N LYS A 880 15.175 -40.844 18.755 1.00 63.10 N ATOM 1432 CA LYS A 880 16.322 -41.724 18.604 1.00 50.31 C ATOM 1433 C LYS A 880 16.611 -41.926 17.115 1.00 24.23 C ATOM 1434 O LYS A 880 17.611 -42.544 16.752 1.00 43.40 O ATOM 1435 CB LYS A 880 16.100 -43.029 19.370 1.00 25.25 C ATOM 1436 CG LYS A 880 16.402 -42.849 20.860 1.00 43.44 C ATOM 1437 CD LYS A 880 15.808 -41.540 21.385 1.00 63.04 C ATOM 1438 CE LYS A 880 16.126 -41.350 22.869 1.00 25.21 C ATOM 1439 NZ LYS A 880 17.581 -41.485 23.109 1.00 73.42 N ATOM 0 H LYS A 880 14.324 -41.304 19.078 1.00 63.10 H new ATOM 0 HA LYS A 880 17.211 -41.271 19.043 1.00 50.31 H new ATOM 0 HB2 LYS A 880 15.069 -43.359 19.242 1.00 25.25 H new ATOM 0 HB3 LYS A 880 16.739 -43.810 18.958 1.00 25.25 H new ATOM 0 HG2 LYS A 880 15.994 -43.689 21.422 1.00 43.44 H new ATOM 0 HG3 LYS A 880 17.480 -42.853 21.019 1.00 43.44 H new ATOM 0 HD2 LYS A 880 16.206 -40.701 20.814 1.00 63.04 H new ATOM 0 HD3 LYS A 880 14.728 -41.542 21.238 1.00 63.04 H new ATOM 0 HE2 LYS A 880 15.787 -40.367 23.197 1.00 25.21 H new ATOM 0 HE3 LYS A 880 15.584 -42.088 23.461 1.00 25.21 H new ATOM 0 HZ1 LYS A 880 17.864 -40.855 23.887 1.00 73.42 H new ATOM 0 HZ2 LYS A 880 17.801 -42.469 23.363 1.00 73.42 H new ATOM 0 HZ3 LYS A 880 18.101 -41.225 22.246 1.00 73.42 H new ATOM 1452 N THR A 881 15.718 -41.394 16.294 1.00 62.42 N ATOM 1453 CA THR A 881 15.865 -41.509 14.853 1.00 41.12 C ATOM 1454 C THR A 881 16.421 -40.209 14.268 1.00 15.34 C ATOM 1455 O THR A 881 17.384 -40.229 13.504 1.00 24.15 O ATOM 1456 CB THR A 881 14.508 -41.906 14.269 1.00 32.43 C ATOM 1457 OG1 THR A 881 14.818 -42.389 12.965 1.00 5.10 O ATOM 1458 CG2 THR A 881 13.604 -40.699 14.014 1.00 13.41 C ATOM 0 H THR A 881 14.890 -40.882 16.599 1.00 62.42 H new ATOM 0 HA THR A 881 16.587 -42.282 14.590 1.00 41.12 H new ATOM 0 HB THR A 881 14.009 -42.596 14.950 1.00 32.43 H new ATOM 0 HG1 THR A 881 14.796 -41.645 12.327 1.00 5.10 H new ATOM 0 HG21 THR A 881 12.654 -41.037 13.600 1.00 13.41 H new ATOM 0 HG22 THR A 881 13.424 -40.174 14.952 1.00 13.41 H new ATOM 0 HG23 THR A 881 14.088 -40.024 13.308 1.00 13.41 H new ATOM 1466 N PHE A 882 15.789 -39.109 14.650 1.00 55.52 N ATOM 1467 CA PHE A 882 16.207 -37.801 14.173 1.00 24.41 C ATOM 1468 C PHE A 882 15.941 -36.723 15.225 1.00 3.13 C ATOM 1469 O PHE A 882 15.335 -36.996 16.260 1.00 20.31 O ATOM 1470 CB PHE A 882 15.379 -37.494 12.924 1.00 32.12 C ATOM 1471 CG PHE A 882 15.643 -38.443 11.753 1.00 34.35 C ATOM 1472 CD1 PHE A 882 16.901 -38.575 11.255 1.00 50.31 C ATOM 1473 CD2 PHE A 882 14.618 -39.155 11.212 1.00 65.55 C ATOM 1474 CE1 PHE A 882 17.146 -39.456 10.168 1.00 12.34 C ATOM 1475 CE2 PHE A 882 14.863 -40.036 10.125 1.00 23.41 C ATOM 1476 CZ PHE A 882 16.122 -40.168 9.626 1.00 13.14 C ATOM 0 H PHE A 882 14.990 -39.096 15.284 1.00 55.52 H new ATOM 0 HA PHE A 882 17.276 -37.807 13.960 1.00 24.41 H new ATOM 0 HB2 PHE A 882 14.321 -37.538 13.182 1.00 32.12 H new ATOM 0 HB3 PHE A 882 15.587 -36.473 12.605 1.00 32.12 H new ATOM 0 HD1 PHE A 882 17.714 -38.010 11.686 1.00 50.31 H new ATOM 0 HD2 PHE A 882 13.619 -39.051 11.609 1.00 65.55 H new ATOM 0 HE1 PHE A 882 18.145 -39.560 9.772 1.00 12.34 H new ATOM 0 HE2 PHE A 882 14.050 -40.601 9.694 1.00 23.41 H new ATOM 0 HZ PHE A 882 16.308 -40.838 8.800 1.00 13.14 H new ATOM 1486 N GLU A 883 16.408 -35.520 14.924 1.00 13.14 N ATOM 1487 CA GLU A 883 16.228 -34.399 15.831 1.00 13.04 C ATOM 1488 C GLU A 883 15.498 -33.255 15.124 1.00 61.42 C ATOM 1489 O GLU A 883 16.052 -32.622 14.227 1.00 41.31 O ATOM 1490 CB GLU A 883 17.570 -33.928 16.394 1.00 42.20 C ATOM 1491 CG GLU A 883 18.363 -33.151 15.341 1.00 4.44 C ATOM 1492 CD GLU A 883 19.848 -33.091 15.707 1.00 12.13 C ATOM 1493 OE1 GLU A 883 20.709 -33.224 14.826 1.00 65.15 O ATOM 1494 OE2 GLU A 883 20.094 -32.897 16.959 1.00 74.03 O ATOM 0 H GLU A 883 16.911 -35.297 14.065 1.00 13.14 H new ATOM 0 HA GLU A 883 15.616 -34.731 16.670 1.00 13.04 H new ATOM 0 HB2 GLU A 883 17.401 -33.297 17.266 1.00 42.20 H new ATOM 0 HB3 GLU A 883 18.150 -34.788 16.730 1.00 42.20 H new ATOM 0 HG2 GLU A 883 18.244 -33.626 14.367 1.00 4.44 H new ATOM 0 HG3 GLU A 883 17.965 -32.140 15.254 1.00 4.44 H new ATOM 1502 N ILE A 884 14.266 -33.026 15.554 1.00 60.22 N ATOM 1503 CA ILE A 884 13.455 -31.970 14.973 1.00 72.15 C ATOM 1504 C ILE A 884 12.378 -31.550 15.975 1.00 51.02 C ATOM 1505 O ILE A 884 11.870 -32.378 16.729 1.00 21.03 O ATOM 1506 CB ILE A 884 12.896 -32.408 13.617 1.00 3.11 C ATOM 1507 CG1 ILE A 884 12.652 -33.918 13.587 1.00 62.14 C ATOM 1508 CG2 ILE A 884 13.807 -31.951 12.475 1.00 31.35 C ATOM 1509 CD1 ILE A 884 11.669 -34.337 14.681 1.00 13.33 C ATOM 0 H ILE A 884 13.810 -33.554 16.298 1.00 60.22 H new ATOM 0 HA ILE A 884 14.064 -31.089 14.771 1.00 72.15 H new ATOM 0 HB ILE A 884 11.931 -31.923 13.472 1.00 3.11 H new ATOM 0 HG12 ILE A 884 12.261 -34.207 12.612 1.00 62.14 H new ATOM 0 HG13 ILE A 884 13.597 -34.445 13.721 1.00 62.14 H new ATOM 0 HG21 ILE A 884 13.387 -32.275 11.523 1.00 31.35 H new ATOM 0 HG22 ILE A 884 13.886 -30.864 12.486 1.00 31.35 H new ATOM 0 HG23 ILE A 884 14.797 -32.388 12.602 1.00 31.35 H new ATOM 0 HD11 ILE A 884 11.514 -35.415 14.637 1.00 13.33 H new ATOM 0 HD12 ILE A 884 12.074 -34.068 15.657 1.00 13.33 H new ATOM 0 HD13 ILE A 884 10.718 -33.827 14.530 1.00 13.33 H new ATOM 1521 N PRO A 885 12.053 -30.230 15.949 1.00 13.44 N ATOM 1522 CA PRO A 885 11.045 -29.690 16.846 1.00 4.54 C ATOM 1523 C PRO A 885 9.638 -30.080 16.390 1.00 63.42 C ATOM 1524 O PRO A 885 9.413 -30.331 15.207 1.00 52.11 O ATOM 1525 CB PRO A 885 11.277 -28.187 16.839 1.00 75.33 C ATOM 1526 CG PRO A 885 12.094 -27.898 15.590 1.00 12.32 C ATOM 1527 CD PRO A 885 12.633 -29.220 15.069 1.00 3.32 C ATOM 0 HA PRO A 885 11.126 -30.088 17.858 1.00 4.54 H new ATOM 0 HB2 PRO A 885 10.331 -27.646 16.821 1.00 75.33 H new ATOM 0 HB3 PRO A 885 11.809 -27.870 17.736 1.00 75.33 H new ATOM 0 HG2 PRO A 885 11.477 -27.413 14.834 1.00 12.32 H new ATOM 0 HG3 PRO A 885 12.913 -27.216 15.819 1.00 12.32 H new ATOM 0 HD2 PRO A 885 12.342 -29.385 14.032 1.00 3.32 H new ATOM 0 HD3 PRO A 885 13.722 -29.244 15.102 1.00 3.32 H new ATOM 1535 N VAL A 886 8.728 -30.120 17.352 1.00 63.10 N ATOM 1536 CA VAL A 886 7.349 -30.476 17.064 1.00 43.04 C ATOM 1537 C VAL A 886 6.432 -29.326 17.484 1.00 52.12 C ATOM 1538 O VAL A 886 6.665 -28.683 18.506 1.00 41.31 O ATOM 1539 CB VAL A 886 6.998 -31.801 17.744 1.00 55.51 C ATOM 1540 CG1 VAL A 886 7.820 -31.997 19.019 1.00 60.52 C ATOM 1541 CG2 VAL A 886 5.499 -31.884 18.040 1.00 53.32 C ATOM 0 H VAL A 886 8.919 -29.912 18.332 1.00 63.10 H new ATOM 0 HA VAL A 886 7.209 -30.629 15.994 1.00 43.04 H new ATOM 0 HB VAL A 886 7.249 -32.608 17.056 1.00 55.51 H new ATOM 0 HG11 VAL A 886 7.551 -32.946 19.483 1.00 60.52 H new ATOM 0 HG12 VAL A 886 8.881 -32.002 18.770 1.00 60.52 H new ATOM 0 HG13 VAL A 886 7.614 -31.183 19.714 1.00 60.52 H new ATOM 0 HG21 VAL A 886 5.276 -32.835 18.523 1.00 53.32 H new ATOM 0 HG22 VAL A 886 5.213 -31.065 18.700 1.00 53.32 H new ATOM 0 HG23 VAL A 886 4.939 -31.811 17.108 1.00 53.32 H new ATOM 1551 N ILE A 887 5.408 -29.102 16.674 1.00 73.24 N ATOM 1552 CA ILE A 887 4.454 -28.041 16.948 1.00 10.15 C ATOM 1553 C ILE A 887 3.040 -28.625 16.972 1.00 61.14 C ATOM 1554 O ILE A 887 2.857 -29.825 16.771 1.00 51.31 O ATOM 1555 CB ILE A 887 4.629 -26.892 15.953 1.00 73.53 C ATOM 1556 CG1 ILE A 887 6.093 -26.750 15.532 1.00 53.24 C ATOM 1557 CG2 ILE A 887 4.065 -25.587 16.517 1.00 13.11 C ATOM 1558 CD1 ILE A 887 6.951 -26.246 16.694 1.00 52.44 C ATOM 0 H ILE A 887 5.218 -29.638 15.827 1.00 73.24 H new ATOM 0 HA ILE A 887 4.637 -27.610 17.932 1.00 10.15 H new ATOM 0 HB ILE A 887 4.057 -27.127 15.055 1.00 73.53 H new ATOM 0 HG12 ILE A 887 6.471 -27.712 15.187 1.00 53.24 H new ATOM 0 HG13 ILE A 887 6.168 -26.058 14.693 1.00 53.24 H new ATOM 0 HG21 ILE A 887 4.202 -24.787 15.790 1.00 13.11 H new ATOM 0 HG22 ILE A 887 3.002 -25.710 16.725 1.00 13.11 H new ATOM 0 HG23 ILE A 887 4.588 -25.333 17.439 1.00 13.11 H new ATOM 0 HD11 ILE A 887 7.987 -26.154 16.368 1.00 52.44 H new ATOM 0 HD12 ILE A 887 6.585 -25.272 17.021 1.00 52.44 H new ATOM 0 HD13 ILE A 887 6.893 -26.952 17.522 1.00 52.44 H new ATOM 1570 N LYS A 888 2.077 -27.750 17.218 1.00 14.23 N ATOM 1571 CA LYS A 888 0.685 -28.164 17.270 1.00 13.33 C ATOM 1572 C LYS A 888 -0.080 -27.513 16.116 1.00 62.45 C ATOM 1573 O LYS A 888 0.437 -26.617 15.451 1.00 44.11 O ATOM 1574 CB LYS A 888 0.088 -27.866 18.648 1.00 64.25 C ATOM 1575 CG LYS A 888 0.971 -28.434 19.761 1.00 13.43 C ATOM 1576 CD LYS A 888 0.429 -29.775 20.260 1.00 2.22 C ATOM 1577 CE LYS A 888 1.156 -30.943 19.591 1.00 41.34 C ATOM 1578 NZ LYS A 888 0.365 -31.462 18.453 1.00 53.34 N ATOM 0 H LYS A 888 2.233 -26.756 17.384 1.00 14.23 H new ATOM 0 HA LYS A 888 0.604 -29.243 17.139 1.00 13.33 H new ATOM 0 HB2 LYS A 888 -0.019 -26.789 18.777 1.00 64.25 H new ATOM 0 HB3 LYS A 888 -0.911 -28.296 18.716 1.00 64.25 H new ATOM 0 HG2 LYS A 888 1.989 -28.563 19.393 1.00 13.43 H new ATOM 0 HG3 LYS A 888 1.019 -27.726 20.589 1.00 13.43 H new ATOM 0 HD2 LYS A 888 0.548 -29.840 21.342 1.00 2.22 H new ATOM 0 HD3 LYS A 888 -0.639 -29.840 20.052 1.00 2.22 H new ATOM 0 HE2 LYS A 888 2.136 -30.617 19.242 1.00 41.34 H new ATOM 0 HE3 LYS A 888 1.324 -31.738 20.317 1.00 41.34 H new ATOM 0 HZ1 LYS A 888 0.419 -32.501 18.438 1.00 53.34 H new ATOM 0 HZ2 LYS A 888 -0.627 -31.168 18.557 1.00 53.34 H new ATOM 0 HZ3 LYS A 888 0.747 -31.083 17.563 1.00 53.34 H new ATOM 1591 N ILE A 889 -1.299 -27.990 15.912 1.00 21.52 N ATOM 1592 CA ILE A 889 -2.140 -27.467 14.849 1.00 1.32 C ATOM 1593 C ILE A 889 -2.756 -26.141 15.299 1.00 15.31 C ATOM 1594 O ILE A 889 -3.061 -25.282 14.473 1.00 2.41 O ATOM 1595 CB ILE A 889 -3.173 -28.511 14.419 1.00 5.44 C ATOM 1596 CG1 ILE A 889 -3.620 -28.277 12.975 1.00 13.41 C ATOM 1597 CG2 ILE A 889 -4.356 -28.542 15.388 1.00 31.44 C ATOM 1598 CD1 ILE A 889 -4.670 -29.307 12.553 1.00 40.42 C ATOM 0 H ILE A 889 -1.725 -28.734 16.465 1.00 21.52 H new ATOM 0 HA ILE A 889 -1.545 -27.258 13.960 1.00 1.32 H new ATOM 0 HB ILE A 889 -2.702 -29.493 14.455 1.00 5.44 H new ATOM 0 HG12 ILE A 889 -4.031 -27.272 12.876 1.00 13.41 H new ATOM 0 HG13 ILE A 889 -2.759 -28.337 12.310 1.00 13.41 H new ATOM 0 HG21 ILE A 889 -5.076 -29.292 15.060 1.00 31.44 H new ATOM 0 HG22 ILE A 889 -4.001 -28.793 16.388 1.00 31.44 H new ATOM 0 HG23 ILE A 889 -4.836 -27.563 15.408 1.00 31.44 H new ATOM 0 HD11 ILE A 889 -4.971 -29.118 11.522 1.00 40.42 H new ATOM 0 HD12 ILE A 889 -4.248 -30.309 12.630 1.00 40.42 H new ATOM 0 HD13 ILE A 889 -5.540 -29.228 13.205 1.00 40.42 H new ATOM 1610 N GLU A 890 -2.922 -26.016 16.608 1.00 53.24 N ATOM 1611 CA GLU A 890 -3.497 -24.809 17.177 1.00 11.13 C ATOM 1612 C GLU A 890 -2.390 -23.873 17.666 1.00 22.34 C ATOM 1613 O GLU A 890 -2.589 -23.111 18.611 1.00 43.43 O ATOM 1614 CB GLU A 890 -4.470 -25.146 18.309 1.00 25.33 C ATOM 1615 CG GLU A 890 -3.778 -25.966 19.400 1.00 22.51 C ATOM 1616 CD GLU A 890 -4.572 -25.921 20.707 1.00 10.31 C ATOM 1617 OE1 GLU A 890 -5.031 -26.966 21.190 1.00 34.24 O ATOM 1618 OE2 GLU A 890 -4.704 -24.746 21.224 1.00 72.11 O ATOM 0 H GLU A 890 -2.668 -26.731 17.290 1.00 53.24 H new ATOM 0 HA GLU A 890 -4.061 -24.297 16.398 1.00 11.13 H new ATOM 0 HB2 GLU A 890 -4.868 -24.226 18.738 1.00 25.33 H new ATOM 0 HB3 GLU A 890 -5.317 -25.705 17.911 1.00 25.33 H new ATOM 0 HG2 GLU A 890 -3.671 -27.000 19.071 1.00 22.51 H new ATOM 0 HG3 GLU A 890 -2.773 -25.580 19.568 1.00 22.51 H new ATOM 1626 N SER A 891 -1.247 -23.962 17.002 1.00 72.44 N ATOM 1627 CA SER A 891 -0.108 -23.133 17.357 1.00 71.22 C ATOM 1628 C SER A 891 0.075 -22.023 16.320 1.00 72.23 C ATOM 1629 O SER A 891 0.601 -20.957 16.633 1.00 1.50 O ATOM 1630 CB SER A 891 1.168 -23.970 17.470 1.00 40.44 C ATOM 1631 OG SER A 891 1.328 -24.526 18.772 1.00 61.13 O ATOM 0 H SER A 891 -1.085 -24.596 16.220 1.00 72.44 H new ATOM 0 HA SER A 891 -0.302 -22.683 18.331 1.00 71.22 H new ATOM 0 HB2 SER A 891 1.141 -24.773 16.734 1.00 40.44 H new ATOM 0 HB3 SER A 891 2.031 -23.349 17.233 1.00 40.44 H new ATOM 0 HG SER A 891 2.260 -24.802 18.897 1.00 61.13 H new ATOM 1637 N PHE A 892 -0.370 -22.312 15.106 1.00 71.53 N ATOM 1638 CA PHE A 892 -0.262 -21.352 14.021 1.00 71.24 C ATOM 1639 C PHE A 892 -1.511 -21.380 13.137 1.00 30.31 C ATOM 1640 O PHE A 892 -2.389 -22.221 13.324 1.00 13.14 O ATOM 1641 CB PHE A 892 0.951 -21.760 13.182 1.00 53.33 C ATOM 1642 CG PHE A 892 1.101 -23.271 12.998 1.00 75.23 C ATOM 1643 CD1 PHE A 892 0.077 -23.997 12.472 1.00 24.04 C ATOM 1644 CD2 PHE A 892 2.257 -23.889 13.360 1.00 51.14 C ATOM 1645 CE1 PHE A 892 0.217 -25.400 12.302 1.00 55.25 C ATOM 1646 CE2 PHE A 892 2.396 -25.292 13.189 1.00 50.32 C ATOM 1647 CZ PHE A 892 1.373 -26.018 12.663 1.00 11.44 C ATOM 0 H PHE A 892 -0.806 -23.198 14.850 1.00 71.53 H new ATOM 0 HA PHE A 892 -0.158 -20.345 14.425 1.00 71.24 H new ATOM 0 HB2 PHE A 892 0.876 -21.291 12.201 1.00 53.33 H new ATOM 0 HB3 PHE A 892 1.853 -21.370 13.653 1.00 53.33 H new ATOM 0 HD1 PHE A 892 -0.841 -23.507 12.184 1.00 24.04 H new ATOM 0 HD2 PHE A 892 3.069 -23.313 13.778 1.00 51.14 H new ATOM 0 HE1 PHE A 892 -0.596 -25.977 11.886 1.00 55.25 H new ATOM 0 HE2 PHE A 892 3.314 -25.783 13.477 1.00 50.32 H new ATOM 0 HZ PHE A 892 1.479 -27.085 12.532 1.00 11.44 H new ATOM 1657 N VAL A 893 -1.550 -20.451 12.193 1.00 33.43 N ATOM 1658 CA VAL A 893 -2.677 -20.359 11.280 1.00 31.24 C ATOM 1659 C VAL A 893 -2.226 -20.771 9.878 1.00 74.34 C ATOM 1660 O VAL A 893 -1.033 -20.931 9.627 1.00 3.11 O ATOM 1661 CB VAL A 893 -3.274 -18.951 11.327 1.00 74.31 C ATOM 1662 CG1 VAL A 893 -3.163 -18.355 12.731 1.00 15.24 C ATOM 1663 CG2 VAL A 893 -2.613 -18.041 10.291 1.00 40.45 C ATOM 0 H VAL A 893 -0.820 -19.756 12.041 1.00 33.43 H new ATOM 0 HA VAL A 893 -3.470 -21.044 11.581 1.00 31.24 H new ATOM 0 HB VAL A 893 -4.333 -19.027 11.079 1.00 74.31 H new ATOM 0 HG11 VAL A 893 -3.595 -17.354 12.737 1.00 15.24 H new ATOM 0 HG12 VAL A 893 -3.701 -18.986 13.438 1.00 15.24 H new ATOM 0 HG13 VAL A 893 -2.114 -18.299 13.021 1.00 15.24 H new ATOM 0 HG21 VAL A 893 -3.056 -17.046 10.345 1.00 40.45 H new ATOM 0 HG22 VAL A 893 -1.544 -17.974 10.494 1.00 40.45 H new ATOM 0 HG23 VAL A 893 -2.767 -18.453 9.294 1.00 40.45 H new ATOM 1673 N VAL A 894 -3.205 -20.932 9.000 1.00 54.14 N ATOM 1674 CA VAL A 894 -2.924 -21.322 7.628 1.00 35.44 C ATOM 1675 C VAL A 894 -3.527 -20.289 6.675 1.00 43.43 C ATOM 1676 O VAL A 894 -4.742 -20.243 6.490 1.00 0.23 O ATOM 1677 CB VAL A 894 -3.437 -22.741 7.373 1.00 22.30 C ATOM 1678 CG1 VAL A 894 -2.275 -23.728 7.239 1.00 50.35 C ATOM 1679 CG2 VAL A 894 -4.405 -23.181 8.473 1.00 0.11 C ATOM 0 H VAL A 894 -4.194 -20.800 9.212 1.00 54.14 H new ATOM 0 HA VAL A 894 -1.849 -21.341 7.449 1.00 35.44 H new ATOM 0 HB VAL A 894 -3.983 -22.735 6.430 1.00 22.30 H new ATOM 0 HG11 VAL A 894 -2.667 -24.729 7.058 1.00 50.35 H new ATOM 0 HG12 VAL A 894 -1.640 -23.431 6.405 1.00 50.35 H new ATOM 0 HG13 VAL A 894 -1.690 -23.728 8.159 1.00 50.35 H new ATOM 0 HG21 VAL A 894 -4.754 -24.193 8.267 1.00 0.11 H new ATOM 0 HG22 VAL A 894 -3.894 -23.162 9.436 1.00 0.11 H new ATOM 0 HG23 VAL A 894 -5.257 -22.502 8.501 1.00 0.11 H new ATOM 1689 N GLU A 895 -2.649 -19.484 6.094 1.00 64.42 N ATOM 1690 CA GLU A 895 -3.078 -18.454 5.164 1.00 75.14 C ATOM 1691 C GLU A 895 -2.771 -18.876 3.725 1.00 2.44 C ATOM 1692 O GLU A 895 -1.632 -18.768 3.273 1.00 21.35 O ATOM 1693 CB GLU A 895 -2.425 -17.111 5.493 1.00 44.30 C ATOM 1694 CG GLU A 895 -3.130 -15.964 4.766 1.00 74.42 C ATOM 1695 CD GLU A 895 -2.430 -14.631 5.034 1.00 2.02 C ATOM 1696 OE1 GLU A 895 -1.265 -14.454 4.648 1.00 23.13 O ATOM 1697 OE2 GLU A 895 -3.140 -13.760 5.667 1.00 1.33 O ATOM 0 H GLU A 895 -1.642 -19.525 6.250 1.00 64.42 H new ATOM 0 HA GLU A 895 -4.156 -18.330 5.263 1.00 75.14 H new ATOM 0 HB2 GLU A 895 -2.460 -16.940 6.569 1.00 44.30 H new ATOM 0 HB3 GLU A 895 -1.373 -17.135 5.208 1.00 44.30 H new ATOM 0 HG2 GLU A 895 -3.144 -16.162 3.694 1.00 74.42 H new ATOM 0 HG3 GLU A 895 -4.168 -15.906 5.093 1.00 74.42 H new ATOM 1705 N ASP A 896 -3.806 -19.346 3.046 1.00 34.31 N ATOM 1706 CA ASP A 896 -3.661 -19.784 1.668 1.00 31.43 C ATOM 1707 C ASP A 896 -3.083 -18.641 0.832 1.00 15.42 C ATOM 1708 O ASP A 896 -3.457 -17.483 1.016 1.00 63.04 O ATOM 1709 CB ASP A 896 -5.014 -20.172 1.068 1.00 22.41 C ATOM 1710 CG ASP A 896 -5.175 -21.659 0.744 1.00 11.02 C ATOM 1711 OD1 ASP A 896 -6.205 -22.273 1.060 1.00 24.54 O ATOM 1712 OD2 ASP A 896 -4.174 -22.195 0.132 1.00 30.33 O ATOM 0 H ASP A 896 -4.749 -19.433 3.424 1.00 34.31 H new ATOM 0 HA ASP A 896 -3.000 -20.651 1.658 1.00 31.43 H new ATOM 0 HB2 ASP A 896 -5.800 -19.880 1.764 1.00 22.41 H new ATOM 0 HB3 ASP A 896 -5.168 -19.598 0.154 1.00 22.41 H new ATOM 1718 N ILE A 897 -2.182 -19.005 -0.068 1.00 12.20 N ATOM 1719 CA ILE A 897 -1.549 -18.024 -0.933 1.00 13.41 C ATOM 1720 C ILE A 897 -2.393 -17.845 -2.197 1.00 24.01 C ATOM 1721 O ILE A 897 -2.154 -16.929 -2.982 1.00 60.14 O ATOM 1722 CB ILE A 897 -0.097 -18.414 -1.213 1.00 4.22 C ATOM 1723 CG1 ILE A 897 0.505 -19.172 -0.028 1.00 63.52 C ATOM 1724 CG2 ILE A 897 0.737 -17.188 -1.592 1.00 20.03 C ATOM 1725 CD1 ILE A 897 0.644 -20.663 -0.345 1.00 42.22 C ATOM 0 H ILE A 897 -1.875 -19.966 -0.217 1.00 12.20 H new ATOM 0 HA ILE A 897 -1.504 -17.053 -0.439 1.00 13.41 H new ATOM 0 HB ILE A 897 -0.084 -19.090 -2.068 1.00 4.22 H new ATOM 0 HG12 ILE A 897 1.482 -18.756 0.216 1.00 63.52 H new ATOM 0 HG13 ILE A 897 -0.126 -19.041 0.851 1.00 63.52 H new ATOM 0 HG21 ILE A 897 1.765 -17.493 -1.786 1.00 20.03 H new ATOM 0 HG22 ILE A 897 0.320 -16.727 -2.488 1.00 20.03 H new ATOM 0 HG23 ILE A 897 0.720 -16.469 -0.773 1.00 20.03 H new ATOM 0 HD11 ILE A 897 1.074 -21.179 0.513 1.00 42.22 H new ATOM 0 HD12 ILE A 897 -0.338 -21.081 -0.565 1.00 42.22 H new ATOM 0 HD13 ILE A 897 1.295 -20.792 -1.210 1.00 42.22 H new ATOM 1737 N ALA A 898 -3.362 -18.735 -2.354 1.00 4.11 N ATOM 1738 CA ALA A 898 -4.242 -18.687 -3.509 1.00 64.11 C ATOM 1739 C ALA A 898 -5.548 -17.991 -3.121 1.00 44.34 C ATOM 1740 O ALA A 898 -6.341 -17.626 -3.987 1.00 53.43 O ATOM 1741 CB ALA A 898 -4.471 -20.105 -4.035 1.00 70.33 C ATOM 0 H ALA A 898 -3.557 -19.493 -1.700 1.00 4.11 H new ATOM 0 HA ALA A 898 -3.788 -18.110 -4.314 1.00 64.11 H new ATOM 0 HB1 ALA A 898 -5.131 -20.069 -4.902 1.00 70.33 H new ATOM 0 HB2 ALA A 898 -3.516 -20.544 -4.324 1.00 70.33 H new ATOM 0 HB3 ALA A 898 -4.929 -20.713 -3.255 1.00 70.33 H new ATOM 1747 N THR A 899 -5.730 -17.828 -1.819 1.00 51.43 N ATOM 1748 CA THR A 899 -6.926 -17.182 -1.306 1.00 52.54 C ATOM 1749 C THR A 899 -6.551 -16.035 -0.365 1.00 31.52 C ATOM 1750 O THR A 899 -7.099 -14.939 -0.467 1.00 0.13 O ATOM 1751 CB THR A 899 -7.795 -18.253 -0.644 1.00 11.40 C ATOM 1752 OG1 THR A 899 -7.078 -18.600 0.537 1.00 3.22 O ATOM 1753 CG2 THR A 899 -7.838 -19.553 -1.450 1.00 2.43 C ATOM 0 H THR A 899 -5.069 -18.132 -1.104 1.00 51.43 H new ATOM 0 HA THR A 899 -7.504 -16.725 -2.109 1.00 52.54 H new ATOM 0 HB THR A 899 -8.808 -17.871 -0.517 1.00 11.40 H new ATOM 0 HG1 THR A 899 -7.411 -19.454 0.883 1.00 3.22 H new ATOM 0 HG21 THR A 899 -8.468 -20.279 -0.936 1.00 2.43 H new ATOM 0 HG22 THR A 899 -8.248 -19.354 -2.440 1.00 2.43 H new ATOM 0 HG23 THR A 899 -6.829 -19.954 -1.549 1.00 2.43 H new ATOM 1761 N GLY A 900 -5.620 -16.329 0.531 1.00 43.34 N ATOM 1762 CA GLY A 900 -5.165 -15.336 1.490 1.00 61.43 C ATOM 1763 C GLY A 900 -6.069 -15.312 2.724 1.00 24.21 C ATOM 1764 O GLY A 900 -6.145 -14.302 3.422 1.00 75.21 O ATOM 0 H GLY A 900 -5.169 -17.240 0.613 1.00 43.34 H new ATOM 0 HA2 GLY A 900 -4.140 -15.557 1.789 1.00 61.43 H new ATOM 0 HA3 GLY A 900 -5.155 -14.351 1.023 1.00 61.43 H new ATOM 1768 N VAL A 901 -6.730 -16.437 2.956 1.00 51.42 N ATOM 1769 CA VAL A 901 -7.626 -16.557 4.094 1.00 65.22 C ATOM 1770 C VAL A 901 -6.937 -17.364 5.196 1.00 63.40 C ATOM 1771 O VAL A 901 -6.777 -18.578 5.074 1.00 41.10 O ATOM 1772 CB VAL A 901 -8.957 -17.166 3.650 1.00 60.42 C ATOM 1773 CG1 VAL A 901 -8.731 -18.341 2.696 1.00 53.14 C ATOM 1774 CG2 VAL A 901 -9.794 -17.594 4.857 1.00 11.31 C ATOM 0 H VAL A 901 -6.663 -17.273 2.376 1.00 51.42 H new ATOM 0 HA VAL A 901 -7.855 -15.574 4.505 1.00 65.22 H new ATOM 0 HB VAL A 901 -9.513 -16.399 3.111 1.00 60.42 H new ATOM 0 HG11 VAL A 901 -9.693 -18.756 2.395 1.00 53.14 H new ATOM 0 HG12 VAL A 901 -8.193 -17.995 1.813 1.00 53.14 H new ATOM 0 HG13 VAL A 901 -8.145 -19.110 3.199 1.00 53.14 H new ATOM 0 HG21 VAL A 901 -10.735 -18.024 4.513 1.00 11.31 H new ATOM 0 HG22 VAL A 901 -9.245 -18.338 5.435 1.00 11.31 H new ATOM 0 HG23 VAL A 901 -9.999 -16.726 5.484 1.00 11.31 H new ATOM 1784 N GLN A 902 -6.547 -16.658 6.247 1.00 32.11 N ATOM 1785 CA GLN A 902 -5.879 -17.294 7.370 1.00 12.20 C ATOM 1786 C GLN A 902 -6.906 -17.940 8.302 1.00 72.32 C ATOM 1787 O GLN A 902 -8.013 -17.428 8.463 1.00 61.15 O ATOM 1788 CB GLN A 902 -5.006 -16.291 8.128 1.00 72.44 C ATOM 1789 CG GLN A 902 -5.780 -15.006 8.425 1.00 10.53 C ATOM 1790 CD GLN A 902 -5.330 -14.390 9.752 1.00 54.32 C ATOM 1791 OE1 GLN A 902 -6.124 -13.905 10.542 1.00 72.34 O ATOM 1792 NE2 GLN A 902 -4.016 -14.435 9.952 1.00 73.53 N ATOM 0 H GLN A 902 -6.681 -15.652 6.345 1.00 32.11 H new ATOM 0 HA GLN A 902 -5.225 -18.076 6.983 1.00 12.20 H new ATOM 0 HB2 GLN A 902 -4.661 -16.736 9.061 1.00 72.44 H new ATOM 0 HB3 GLN A 902 -4.119 -16.058 7.539 1.00 72.44 H new ATOM 0 HG2 GLN A 902 -5.627 -14.290 7.617 1.00 10.53 H new ATOM 0 HG3 GLN A 902 -6.848 -15.221 8.463 1.00 10.53 H new ATOM 0 HE21 GLN A 902 -3.407 -14.855 9.250 1.00 73.53 H new ATOM 0 HE22 GLN A 902 -3.617 -14.049 10.808 1.00 73.53 H new ATOM 1801 N THR A 903 -6.503 -19.056 8.891 1.00 30.24 N ATOM 1802 CA THR A 903 -7.375 -19.778 9.803 1.00 65.11 C ATOM 1803 C THR A 903 -6.547 -20.587 10.804 1.00 41.23 C ATOM 1804 O THR A 903 -5.380 -20.884 10.553 1.00 70.31 O ATOM 1805 CB THR A 903 -8.326 -20.637 8.967 1.00 1.50 C ATOM 1806 OG1 THR A 903 -9.621 -20.293 9.453 1.00 62.04 O ATOM 1807 CG2 THR A 903 -8.195 -22.129 9.279 1.00 41.24 C ATOM 0 H THR A 903 -5.585 -19.478 8.755 1.00 30.24 H new ATOM 0 HA THR A 903 -7.974 -19.093 10.403 1.00 65.11 H new ATOM 0 HB THR A 903 -8.131 -20.470 7.908 1.00 1.50 H new ATOM 0 HG1 THR A 903 -10.300 -20.803 8.964 1.00 62.04 H new ATOM 0 HG21 THR A 903 -8.892 -22.693 8.659 1.00 41.24 H new ATOM 0 HG22 THR A 903 -7.176 -22.456 9.070 1.00 41.24 H new ATOM 0 HG23 THR A 903 -8.424 -22.302 10.331 1.00 41.24 H new ATOM 1815 N LEU A 904 -7.184 -20.920 11.917 1.00 44.21 N ATOM 1816 CA LEU A 904 -6.521 -21.688 12.957 1.00 62.42 C ATOM 1817 C LEU A 904 -7.409 -22.868 13.357 1.00 21.14 C ATOM 1818 O LEU A 904 -8.543 -22.676 13.792 1.00 34.12 O ATOM 1819 CB LEU A 904 -6.135 -20.783 14.128 1.00 21.35 C ATOM 1820 CG LEU A 904 -6.705 -19.364 14.096 1.00 40.25 C ATOM 1821 CD1 LEU A 904 -8.160 -19.346 14.567 1.00 73.31 C ATOM 1822 CD2 LEU A 904 -5.830 -18.403 14.902 1.00 4.42 C ATOM 0 H LEU A 904 -8.152 -20.672 12.121 1.00 44.21 H new ATOM 0 HA LEU A 904 -5.585 -22.105 12.585 1.00 62.42 H new ATOM 0 HB2 LEU A 904 -6.457 -21.262 15.053 1.00 21.35 H new ATOM 0 HB3 LEU A 904 -5.048 -20.716 14.166 1.00 21.35 H new ATOM 0 HG LEU A 904 -6.697 -19.017 13.063 1.00 40.25 H new ATOM 0 HD11 LEU A 904 -8.540 -18.325 14.534 1.00 73.31 H new ATOM 0 HD12 LEU A 904 -8.762 -19.978 13.914 1.00 73.31 H new ATOM 0 HD13 LEU A 904 -8.216 -19.722 15.589 1.00 73.31 H new ATOM 0 HD21 LEU A 904 -6.258 -17.401 14.863 1.00 4.42 H new ATOM 0 HD22 LEU A 904 -5.782 -18.737 15.939 1.00 4.42 H new ATOM 0 HD23 LEU A 904 -4.825 -18.385 14.480 1.00 4.42 H new ATOM 1834 N TYR A 905 -6.859 -24.063 13.197 1.00 50.23 N ATOM 1835 CA TYR A 905 -7.587 -25.274 13.536 1.00 11.53 C ATOM 1836 C TYR A 905 -7.509 -25.558 15.038 1.00 41.43 C ATOM 1837 O TYR A 905 -6.506 -25.249 15.680 1.00 72.40 O ATOM 1838 CB TYR A 905 -6.895 -26.408 12.778 1.00 34.10 C ATOM 1839 CG TYR A 905 -6.829 -26.195 11.264 1.00 34.44 C ATOM 1840 CD1 TYR A 905 -7.883 -25.594 10.605 1.00 22.44 C ATOM 1841 CD2 TYR A 905 -5.717 -26.604 10.558 1.00 63.41 C ATOM 1842 CE1 TYR A 905 -7.821 -25.394 9.181 1.00 64.13 C ATOM 1843 CE2 TYR A 905 -5.655 -26.404 9.133 1.00 24.13 C ATOM 1844 CZ TYR A 905 -6.710 -25.809 8.515 1.00 44.10 C ATOM 1845 OH TYR A 905 -6.651 -25.620 7.169 1.00 0.35 O ATOM 0 H TYR A 905 -5.917 -24.218 12.837 1.00 50.23 H new ATOM 0 HA TYR A 905 -8.640 -25.176 13.271 1.00 11.53 H new ATOM 0 HB2 TYR A 905 -5.882 -26.523 13.163 1.00 34.10 H new ATOM 0 HB3 TYR A 905 -7.421 -27.341 12.981 1.00 34.10 H new ATOM 0 HD1 TYR A 905 -8.754 -25.274 11.158 1.00 22.44 H new ATOM 0 HD2 TYR A 905 -4.893 -27.074 11.074 1.00 63.41 H new ATOM 0 HE1 TYR A 905 -8.638 -24.925 8.653 1.00 64.13 H new ATOM 0 HE2 TYR A 905 -4.790 -26.719 8.568 1.00 24.13 H new ATOM 0 HH TYR A 905 -6.558 -24.664 6.977 1.00 0.35 H new ATOM 1855 N SER A 906 -8.580 -26.142 15.554 1.00 53.15 N ATOM 1856 CA SER A 906 -8.646 -26.471 16.967 1.00 4.13 C ATOM 1857 C SER A 906 -7.878 -27.766 17.239 1.00 22.12 C ATOM 1858 O SER A 906 -6.833 -27.748 17.889 1.00 74.23 O ATOM 1859 CB SER A 906 -10.096 -26.606 17.435 1.00 51.41 C ATOM 1860 OG SER A 906 -10.798 -25.367 17.362 1.00 24.35 O ATOM 0 H SER A 906 -9.410 -26.396 15.018 1.00 53.15 H new ATOM 0 HA SER A 906 -8.186 -25.658 17.529 1.00 4.13 H new ATOM 0 HB2 SER A 906 -10.607 -27.349 16.823 1.00 51.41 H new ATOM 0 HB3 SER A 906 -10.113 -26.973 18.461 1.00 51.41 H new ATOM 0 HG SER A 906 -11.720 -25.495 17.668 1.00 24.35 H new ATOM 1866 N LYS A 907 -8.425 -28.859 16.728 1.00 33.24 N ATOM 1867 CA LYS A 907 -7.805 -30.161 16.908 1.00 40.11 C ATOM 1868 C LYS A 907 -7.140 -30.589 15.598 1.00 31.22 C ATOM 1869 O LYS A 907 -7.472 -30.073 14.532 1.00 64.21 O ATOM 1870 CB LYS A 907 -8.824 -31.171 17.440 1.00 64.14 C ATOM 1871 CG LYS A 907 -8.161 -32.168 18.393 1.00 12.30 C ATOM 1872 CD LYS A 907 -8.215 -31.664 19.837 1.00 74.32 C ATOM 1873 CE LYS A 907 -7.267 -30.481 20.041 1.00 70.12 C ATOM 1874 NZ LYS A 907 -5.916 -30.806 19.532 1.00 22.30 N ATOM 0 H LYS A 907 -9.291 -28.870 16.189 1.00 33.24 H new ATOM 0 HA LYS A 907 -7.020 -30.109 17.662 1.00 40.11 H new ATOM 0 HB2 LYS A 907 -9.626 -30.645 17.958 1.00 64.14 H new ATOM 0 HB3 LYS A 907 -9.280 -31.706 16.607 1.00 64.14 H new ATOM 0 HG2 LYS A 907 -8.662 -33.133 18.322 1.00 12.30 H new ATOM 0 HG3 LYS A 907 -7.124 -32.325 18.097 1.00 12.30 H new ATOM 0 HD2 LYS A 907 -9.234 -31.365 20.084 1.00 74.32 H new ATOM 0 HD3 LYS A 907 -7.946 -32.472 20.518 1.00 74.32 H new ATOM 0 HE2 LYS A 907 -7.655 -29.603 19.525 1.00 70.12 H new ATOM 0 HE3 LYS A 907 -7.212 -30.230 21.100 1.00 70.12 H new ATOM 0 HZ1 LYS A 907 -5.232 -30.113 19.897 1.00 22.30 H new ATOM 0 HZ2 LYS A 907 -5.646 -31.759 19.848 1.00 22.30 H new ATOM 0 HZ3 LYS A 907 -5.920 -30.774 18.493 1.00 22.30 H new ATOM 1887 N TRP A 908 -6.214 -31.528 15.721 1.00 21.54 N ATOM 1888 CA TRP A 908 -5.500 -32.032 14.561 1.00 64.04 C ATOM 1889 C TRP A 908 -6.503 -32.767 13.670 1.00 32.41 C ATOM 1890 O TRP A 908 -6.249 -32.979 12.485 1.00 1.14 O ATOM 1891 CB TRP A 908 -4.319 -32.909 14.981 1.00 21.24 C ATOM 1892 CG TRP A 908 -3.542 -32.372 16.185 1.00 13.11 C ATOM 1893 CD1 TRP A 908 -2.471 -31.566 16.183 1.00 34.33 C ATOM 1894 CD2 TRP A 908 -3.822 -32.636 17.576 1.00 2.12 C ATOM 1895 NE1 TRP A 908 -2.042 -31.293 17.466 1.00 22.00 N ATOM 1896 CE2 TRP A 908 -2.889 -31.964 18.340 1.00 73.11 C ATOM 1897 CE3 TRP A 908 -4.830 -33.417 18.169 1.00 5.55 C ATOM 1898 CZ2 TRP A 908 -2.871 -32.005 19.739 1.00 15.22 C ATOM 1899 CZ3 TRP A 908 -4.798 -33.447 19.569 1.00 60.11 C ATOM 1900 CH2 TRP A 908 -3.866 -32.776 20.352 1.00 21.52 C ATOM 0 H TRP A 908 -5.942 -31.953 16.607 1.00 21.54 H new ATOM 0 HA TRP A 908 -5.064 -31.211 13.991 1.00 64.04 H new ATOM 0 HB2 TRP A 908 -4.687 -33.908 15.215 1.00 21.24 H new ATOM 0 HB3 TRP A 908 -3.637 -33.010 14.137 1.00 21.24 H new ATOM 0 HD1 TRP A 908 -2.003 -31.179 15.290 1.00 34.33 H new ATOM 0 HE1 TRP A 908 -1.249 -30.706 17.725 1.00 22.00 H new ATOM 0 HE3 TRP A 908 -5.570 -33.951 17.591 1.00 5.55 H new ATOM 0 HZ2 TRP A 908 -2.130 -31.471 20.315 1.00 15.22 H new ATOM 0 HZ3 TRP A 908 -5.551 -34.033 20.076 1.00 60.11 H new ATOM 0 HH2 TRP A 908 -3.909 -32.849 21.429 1.00 21.52 H new ATOM 1911 N LYS A 909 -7.623 -33.137 14.275 1.00 43.31 N ATOM 1912 CA LYS A 909 -8.666 -33.844 13.552 1.00 42.03 C ATOM 1913 C LYS A 909 -9.060 -33.036 12.314 1.00 51.40 C ATOM 1914 O LYS A 909 -9.322 -33.603 11.255 1.00 62.43 O ATOM 1915 CB LYS A 909 -9.841 -34.161 14.479 1.00 4.33 C ATOM 1916 CG LYS A 909 -9.347 -34.578 15.866 1.00 10.22 C ATOM 1917 CD LYS A 909 -10.380 -35.457 16.574 1.00 0.34 C ATOM 1918 CE LYS A 909 -10.364 -36.880 16.015 1.00 72.53 C ATOM 1919 NZ LYS A 909 -11.577 -37.617 16.437 1.00 43.21 N ATOM 0 H LYS A 909 -7.830 -32.960 15.258 1.00 43.31 H new ATOM 0 HA LYS A 909 -8.299 -34.808 13.200 1.00 42.03 H new ATOM 0 HB2 LYS A 909 -10.486 -33.287 14.566 1.00 4.33 H new ATOM 0 HB3 LYS A 909 -10.444 -34.960 14.048 1.00 4.33 H new ATOM 0 HG2 LYS A 909 -8.406 -35.120 15.773 1.00 10.22 H new ATOM 0 HG3 LYS A 909 -9.146 -33.691 16.467 1.00 10.22 H new ATOM 0 HD2 LYS A 909 -10.171 -35.480 17.644 1.00 0.34 H new ATOM 0 HD3 LYS A 909 -11.374 -35.026 16.453 1.00 0.34 H new ATOM 0 HE2 LYS A 909 -10.311 -36.849 14.927 1.00 72.53 H new ATOM 0 HE3 LYS A 909 -9.474 -37.404 16.363 1.00 72.53 H new ATOM 0 HZ1 LYS A 909 -11.550 -38.581 16.049 1.00 43.21 H new ATOM 0 HZ2 LYS A 909 -11.612 -37.663 17.475 1.00 43.21 H new ATOM 0 HZ3 LYS A 909 -12.423 -37.125 16.084 1.00 43.21 H new ATOM 1932 N ASP A 910 -9.090 -31.723 12.489 1.00 13.40 N ATOM 1933 CA ASP A 910 -9.448 -30.830 11.399 1.00 33.45 C ATOM 1934 C ASP A 910 -8.186 -30.448 10.623 1.00 34.52 C ATOM 1935 O ASP A 910 -8.006 -29.288 10.256 1.00 75.52 O ATOM 1936 CB ASP A 910 -10.086 -29.544 11.928 1.00 43.11 C ATOM 1937 CG ASP A 910 -11.517 -29.697 12.447 1.00 23.22 C ATOM 1938 OD1 ASP A 910 -11.753 -29.749 13.663 1.00 3.44 O ATOM 1939 OD2 ASP A 910 -12.424 -29.766 11.533 1.00 51.43 O ATOM 0 H ASP A 910 -8.872 -31.256 13.369 1.00 13.40 H new ATOM 0 HA ASP A 910 -10.161 -31.349 10.758 1.00 33.45 H new ATOM 0 HB2 ASP A 910 -9.464 -29.152 12.733 1.00 43.11 H new ATOM 0 HB3 ASP A 910 -10.082 -28.800 11.131 1.00 43.11 H new ATOM 1945 N PHE A 911 -7.345 -31.447 10.396 1.00 11.53 N ATOM 1946 CA PHE A 911 -6.105 -31.230 9.670 1.00 12.23 C ATOM 1947 C PHE A 911 -6.382 -30.837 8.218 1.00 42.23 C ATOM 1948 O PHE A 911 -7.449 -31.134 7.683 1.00 0.30 O ATOM 1949 CB PHE A 911 -5.338 -32.553 9.691 1.00 63.21 C ATOM 1950 CG PHE A 911 -6.159 -33.756 9.224 1.00 75.32 C ATOM 1951 CD1 PHE A 911 -6.593 -33.825 7.937 1.00 62.45 C ATOM 1952 CD2 PHE A 911 -6.457 -34.757 10.096 1.00 44.31 C ATOM 1953 CE1 PHE A 911 -7.355 -34.942 7.503 1.00 33.10 C ATOM 1954 CE2 PHE A 911 -7.219 -35.873 9.662 1.00 32.34 C ATOM 1955 CZ PHE A 911 -7.652 -35.943 8.375 1.00 14.52 C ATOM 0 H PHE A 911 -7.498 -32.408 10.702 1.00 11.53 H new ATOM 0 HA PHE A 911 -5.538 -30.423 10.134 1.00 12.23 H new ATOM 0 HB2 PHE A 911 -4.456 -32.460 9.057 1.00 63.21 H new ATOM 0 HB3 PHE A 911 -4.984 -32.740 10.705 1.00 63.21 H new ATOM 0 HD1 PHE A 911 -6.358 -33.030 7.245 1.00 62.45 H new ATOM 0 HD2 PHE A 911 -6.114 -34.702 11.119 1.00 44.31 H new ATOM 0 HE1 PHE A 911 -7.699 -34.997 6.481 1.00 33.10 H new ATOM 0 HE2 PHE A 911 -7.455 -36.667 10.355 1.00 32.34 H new ATOM 0 HZ PHE A 911 -8.231 -36.793 8.045 1.00 14.52 H new ATOM 1965 N HIS A 912 -5.402 -30.175 7.620 1.00 2.24 N ATOM 1966 CA HIS A 912 -5.526 -29.738 6.240 1.00 32.12 C ATOM 1967 C HIS A 912 -4.366 -30.302 5.417 1.00 53.20 C ATOM 1968 O HIS A 912 -4.184 -29.930 4.259 1.00 70.13 O ATOM 1969 CB HIS A 912 -5.625 -28.213 6.160 1.00 65.44 C ATOM 1970 CG HIS A 912 -6.347 -27.709 4.933 1.00 2.53 C ATOM 1971 ND1 HIS A 912 -7.707 -27.452 4.917 1.00 44.14 N ATOM 1972 CD2 HIS A 912 -5.884 -27.415 3.684 1.00 11.12 C ATOM 1973 CE1 HIS A 912 -8.037 -27.025 3.707 1.00 42.42 C ATOM 1974 NE2 HIS A 912 -6.906 -27.003 2.944 1.00 10.23 N ATOM 0 H HIS A 912 -4.518 -29.931 8.067 1.00 2.24 H new ATOM 0 HA HIS A 912 -6.451 -30.126 5.813 1.00 32.12 H new ATOM 0 HB2 HIS A 912 -6.139 -27.845 7.048 1.00 65.44 H new ATOM 0 HB3 HIS A 912 -4.620 -27.792 6.176 1.00 65.44 H new ATOM 0 HD2 HIS A 912 -4.860 -27.503 3.353 1.00 11.12 H new ATOM 0 HE1 HIS A 912 -9.028 -26.744 3.382 1.00 42.42 H new ATOM 0 HE2 HIS A 912 -6.854 -26.717 1.966 1.00 10.23 H new ATOM 1982 N PHE A 913 -3.612 -31.190 6.048 1.00 51.14 N ATOM 1983 CA PHE A 913 -2.475 -31.809 5.388 1.00 3.32 C ATOM 1984 C PHE A 913 -2.603 -33.333 5.390 1.00 61.44 C ATOM 1985 O PHE A 913 -3.648 -33.872 5.752 1.00 40.34 O ATOM 1986 CB PHE A 913 -1.228 -31.413 6.182 1.00 41.14 C ATOM 1987 CG PHE A 913 -1.240 -29.966 6.679 1.00 34.01 C ATOM 1988 CD1 PHE A 913 -1.785 -28.987 5.908 1.00 4.53 C ATOM 1989 CD2 PHE A 913 -0.707 -29.659 7.892 1.00 33.51 C ATOM 1990 CE1 PHE A 913 -1.796 -27.644 6.370 1.00 11.21 C ATOM 1991 CE2 PHE A 913 -0.719 -28.317 8.354 1.00 42.41 C ATOM 1992 CZ PHE A 913 -1.263 -27.337 7.583 1.00 20.20 C ATOM 0 H PHE A 913 -3.766 -31.496 7.009 1.00 51.14 H new ATOM 0 HA PHE A 913 -2.420 -31.477 4.351 1.00 3.32 H new ATOM 0 HB2 PHE A 913 -1.128 -32.080 7.039 1.00 41.14 H new ATOM 0 HB3 PHE A 913 -0.348 -31.564 5.556 1.00 41.14 H new ATOM 0 HD1 PHE A 913 -2.209 -29.231 4.945 1.00 4.53 H new ATOM 0 HD2 PHE A 913 -0.274 -30.437 8.504 1.00 33.51 H new ATOM 0 HE1 PHE A 913 -2.228 -26.866 5.758 1.00 11.21 H new ATOM 0 HE2 PHE A 913 -0.296 -28.074 9.318 1.00 42.41 H new ATOM 0 HZ PHE A 913 -1.272 -26.316 7.934 1.00 20.20 H new ATOM 2002 N GLU A 914 -1.525 -33.986 4.981 1.00 60.33 N ATOM 2003 CA GLU A 914 -1.504 -35.438 4.930 1.00 23.33 C ATOM 2004 C GLU A 914 -0.273 -35.977 5.663 1.00 15.02 C ATOM 2005 O GLU A 914 0.548 -35.205 6.155 1.00 11.32 O ATOM 2006 CB GLU A 914 -1.543 -35.937 3.485 1.00 63.44 C ATOM 2007 CG GLU A 914 -0.160 -35.849 2.836 1.00 24.15 C ATOM 2008 CD GLU A 914 -0.265 -35.902 1.311 1.00 45.40 C ATOM 2009 OE1 GLU A 914 -1.211 -35.345 0.735 1.00 12.12 O ATOM 2010 OE2 GLU A 914 0.683 -36.548 0.721 1.00 20.52 O ATOM 0 H GLU A 914 -0.660 -33.536 4.682 1.00 60.33 H new ATOM 0 HA GLU A 914 -2.396 -35.812 5.433 1.00 23.33 H new ATOM 0 HB2 GLU A 914 -1.894 -36.969 3.462 1.00 63.44 H new ATOM 0 HB3 GLU A 914 -2.256 -35.345 2.911 1.00 63.44 H new ATOM 0 HG2 GLU A 914 0.329 -34.923 3.138 1.00 24.15 H new ATOM 0 HG3 GLU A 914 0.464 -36.669 3.190 1.00 24.15 H new ATOM 2018 N LYS A 915 -0.185 -37.298 5.713 1.00 50.00 N ATOM 2019 CA LYS A 915 0.931 -37.949 6.378 1.00 42.24 C ATOM 2020 C LYS A 915 2.097 -38.080 5.396 1.00 63.41 C ATOM 2021 O LYS A 915 1.958 -38.695 4.340 1.00 71.42 O ATOM 2022 CB LYS A 915 0.489 -39.280 6.989 1.00 53.13 C ATOM 2023 CG LYS A 915 0.134 -40.293 5.898 1.00 0.13 C ATOM 2024 CD LYS A 915 1.366 -41.095 5.474 1.00 73.22 C ATOM 2025 CE LYS A 915 1.276 -41.499 4.001 1.00 40.02 C ATOM 2026 NZ LYS A 915 2.054 -42.734 3.754 1.00 53.24 N ATOM 0 H LYS A 915 -0.868 -37.935 5.304 1.00 50.00 H new ATOM 0 HA LYS A 915 1.283 -37.343 7.213 1.00 42.24 H new ATOM 0 HB2 LYS A 915 1.287 -39.679 7.616 1.00 53.13 H new ATOM 0 HB3 LYS A 915 -0.374 -39.119 7.635 1.00 53.13 H new ATOM 0 HG2 LYS A 915 -0.638 -40.971 6.263 1.00 0.13 H new ATOM 0 HG3 LYS A 915 -0.281 -39.773 5.035 1.00 0.13 H new ATOM 0 HD2 LYS A 915 2.265 -40.501 5.638 1.00 73.22 H new ATOM 0 HD3 LYS A 915 1.455 -41.987 6.095 1.00 73.22 H new ATOM 0 HE2 LYS A 915 0.234 -41.657 3.724 1.00 40.02 H new ATOM 0 HE3 LYS A 915 1.654 -40.692 3.373 1.00 40.02 H new ATOM 0 HZ1 LYS A 915 1.982 -42.994 2.750 1.00 53.24 H new ATOM 0 HZ2 LYS A 915 3.051 -42.571 3.999 1.00 53.24 H new ATOM 0 HZ3 LYS A 915 1.675 -43.506 4.339 1.00 53.24 H new ATOM 2039 N ILE A 916 3.221 -37.493 5.779 1.00 0.53 N ATOM 2040 CA ILE A 916 4.411 -37.536 4.946 1.00 74.30 C ATOM 2041 C ILE A 916 5.622 -37.887 5.812 1.00 1.21 C ATOM 2042 O ILE A 916 5.735 -37.421 6.945 1.00 64.11 O ATOM 2043 CB ILE A 916 4.568 -36.228 4.168 1.00 24.23 C ATOM 2044 CG1 ILE A 916 3.321 -35.933 3.333 1.00 51.00 C ATOM 2045 CG2 ILE A 916 5.838 -36.247 3.315 1.00 63.40 C ATOM 2046 CD1 ILE A 916 3.223 -34.443 3.001 1.00 2.53 C ATOM 0 H ILE A 916 3.333 -36.984 6.656 1.00 0.53 H new ATOM 0 HA ILE A 916 4.321 -38.318 4.192 1.00 74.30 H new ATOM 0 HB ILE A 916 4.674 -35.414 4.886 1.00 24.23 H new ATOM 0 HG12 ILE A 916 3.351 -36.513 2.411 1.00 51.00 H new ATOM 0 HG13 ILE A 916 2.431 -36.247 3.879 1.00 51.00 H new ATOM 0 HG21 ILE A 916 5.926 -35.306 2.772 1.00 63.40 H new ATOM 0 HG22 ILE A 916 6.707 -36.377 3.960 1.00 63.40 H new ATOM 0 HG23 ILE A 916 5.787 -37.072 2.605 1.00 63.40 H new ATOM 0 HD11 ILE A 916 2.328 -34.261 2.407 1.00 2.53 H new ATOM 0 HD12 ILE A 916 3.169 -33.867 3.925 1.00 2.53 H new ATOM 0 HD13 ILE A 916 4.103 -34.138 2.434 1.00 2.53 H new ATOM 2058 N PRO A 917 6.520 -38.726 5.231 1.00 25.41 N ATOM 2059 CA PRO A 917 7.719 -39.145 5.937 1.00 3.34 C ATOM 2060 C PRO A 917 8.751 -38.016 5.982 1.00 2.15 C ATOM 2061 O PRO A 917 9.122 -37.467 4.946 1.00 52.01 O ATOM 2062 CB PRO A 917 8.212 -40.370 5.185 1.00 72.10 C ATOM 2063 CG PRO A 917 7.543 -40.318 3.821 1.00 61.31 C ATOM 2064 CD PRO A 917 6.419 -39.298 3.891 1.00 1.43 C ATOM 0 HA PRO A 917 7.528 -39.387 6.983 1.00 3.34 H new ATOM 0 HB2 PRO A 917 9.298 -40.358 5.088 1.00 72.10 H new ATOM 0 HB3 PRO A 917 7.949 -41.286 5.715 1.00 72.10 H new ATOM 0 HG2 PRO A 917 8.264 -40.039 3.053 1.00 61.31 H new ATOM 0 HG3 PRO A 917 7.152 -41.299 3.550 1.00 61.31 H new ATOM 0 HD2 PRO A 917 6.531 -38.532 3.124 1.00 1.43 H new ATOM 0 HD3 PRO A 917 5.448 -39.767 3.733 1.00 1.43 H new ATOM 2072 N PHE A 918 9.186 -37.703 7.194 1.00 22.12 N ATOM 2073 CA PHE A 918 10.168 -36.650 7.388 1.00 42.30 C ATOM 2074 C PHE A 918 11.519 -37.041 6.785 1.00 73.34 C ATOM 2075 O PHE A 918 12.232 -37.876 7.339 1.00 32.03 O ATOM 2076 CB PHE A 918 10.332 -36.464 8.898 1.00 43.53 C ATOM 2077 CG PHE A 918 10.747 -35.049 9.309 1.00 61.33 C ATOM 2078 CD1 PHE A 918 11.824 -34.460 8.724 1.00 1.51 C ATOM 2079 CD2 PHE A 918 10.039 -34.382 10.259 1.00 73.02 C ATOM 2080 CE1 PHE A 918 12.209 -33.147 9.106 1.00 50.05 C ATOM 2081 CE2 PHE A 918 10.424 -33.070 10.640 1.00 14.53 C ATOM 2082 CZ PHE A 918 11.501 -32.480 10.056 1.00 54.34 C ATOM 0 H PHE A 918 8.876 -38.160 8.051 1.00 22.12 H new ATOM 0 HA PHE A 918 9.833 -35.735 6.899 1.00 42.30 H new ATOM 0 HB2 PHE A 918 9.391 -36.713 9.389 1.00 43.53 H new ATOM 0 HB3 PHE A 918 11.078 -37.171 9.262 1.00 43.53 H new ATOM 0 HD1 PHE A 918 12.386 -34.990 7.969 1.00 1.51 H new ATOM 0 HD2 PHE A 918 9.184 -34.850 10.724 1.00 73.02 H new ATOM 0 HE1 PHE A 918 13.064 -32.679 8.642 1.00 50.05 H new ATOM 0 HE2 PHE A 918 9.861 -32.540 11.394 1.00 14.53 H new ATOM 0 HZ PHE A 918 11.794 -31.482 10.347 1.00 54.34 H new ATOM 2092 N ASP A 919 11.829 -36.420 5.656 1.00 2.15 N ATOM 2093 CA ASP A 919 13.081 -36.693 4.972 1.00 44.02 C ATOM 2094 C ASP A 919 14.248 -36.244 5.854 1.00 43.34 C ATOM 2095 O ASP A 919 14.219 -35.152 6.419 1.00 1.12 O ATOM 2096 CB ASP A 919 13.165 -35.927 3.650 1.00 1.33 C ATOM 2097 CG ASP A 919 12.781 -36.735 2.409 1.00 45.51 C ATOM 2098 OD1 ASP A 919 11.620 -36.725 1.975 1.00 70.42 O ATOM 2099 OD2 ASP A 919 13.746 -37.403 1.874 1.00 23.42 O ATOM 0 H ASP A 919 11.235 -35.729 5.198 1.00 2.15 H new ATOM 0 HA ASP A 919 13.129 -37.763 4.772 1.00 44.02 H new ATOM 0 HB2 ASP A 919 12.516 -35.054 3.712 1.00 1.33 H new ATOM 0 HB3 ASP A 919 14.183 -35.559 3.525 1.00 1.33 H new ATOM 2105 N PRO A 920 15.274 -37.131 5.945 1.00 24.53 N ATOM 2106 CA PRO A 920 16.449 -36.837 6.749 1.00 71.44 C ATOM 2107 C PRO A 920 17.349 -35.816 6.050 1.00 22.22 C ATOM 2108 O PRO A 920 18.235 -35.235 6.675 1.00 65.14 O ATOM 2109 CB PRO A 920 17.127 -38.181 6.960 1.00 4.00 C ATOM 2110 CG PRO A 920 16.571 -39.103 5.887 1.00 14.41 C ATOM 2111 CD PRO A 920 15.343 -38.434 5.289 1.00 5.03 C ATOM 0 HA PRO A 920 16.201 -36.377 7.705 1.00 71.44 H new ATOM 0 HB2 PRO A 920 18.210 -38.090 6.873 1.00 4.00 H new ATOM 0 HB3 PRO A 920 16.919 -38.571 7.956 1.00 4.00 H new ATOM 0 HG2 PRO A 920 17.319 -39.287 5.116 1.00 14.41 H new ATOM 0 HG3 PRO A 920 16.309 -40.071 6.314 1.00 14.41 H new ATOM 0 HD2 PRO A 920 15.436 -38.329 4.208 1.00 5.03 H new ATOM 0 HD3 PRO A 920 14.443 -39.019 5.476 1.00 5.03 H new ATOM 2119 N ALA A 921 17.091 -35.629 4.764 1.00 14.34 N ATOM 2120 CA ALA A 921 17.866 -34.688 3.975 1.00 44.45 C ATOM 2121 C ALA A 921 17.481 -33.260 4.367 1.00 41.21 C ATOM 2122 O ALA A 921 18.276 -32.334 4.212 1.00 53.21 O ATOM 2123 CB ALA A 921 17.643 -34.964 2.486 1.00 13.24 C ATOM 0 H ALA A 921 16.356 -36.114 4.249 1.00 14.34 H new ATOM 0 HA ALA A 921 18.931 -34.808 4.173 1.00 44.45 H new ATOM 0 HB1 ALA A 921 18.225 -34.258 1.894 1.00 13.24 H new ATOM 0 HB2 ALA A 921 17.960 -35.980 2.253 1.00 13.24 H new ATOM 0 HB3 ALA A 921 16.585 -34.851 2.249 1.00 13.24 H new ATOM 2129 N GLU A 922 16.262 -33.126 4.868 1.00 73.55 N ATOM 2130 CA GLU A 922 15.761 -31.827 5.283 1.00 24.23 C ATOM 2131 C GLU A 922 16.147 -31.550 6.738 1.00 61.52 C ATOM 2132 O GLU A 922 16.668 -30.482 7.053 1.00 44.11 O ATOM 2133 CB GLU A 922 14.246 -31.736 5.091 1.00 3.11 C ATOM 2134 CG GLU A 922 13.824 -32.358 3.759 1.00 61.53 C ATOM 2135 CD GLU A 922 13.239 -31.301 2.820 1.00 1.04 C ATOM 2136 OE1 GLU A 922 13.775 -30.186 2.732 1.00 60.34 O ATOM 2137 OE2 GLU A 922 12.190 -31.672 2.168 1.00 53.40 O ATOM 0 H GLU A 922 15.606 -33.896 4.996 1.00 73.55 H new ATOM 0 HA GLU A 922 16.220 -31.064 4.654 1.00 24.23 H new ATOM 0 HB2 GLU A 922 13.741 -32.246 5.911 1.00 3.11 H new ATOM 0 HB3 GLU A 922 13.934 -30.692 5.124 1.00 3.11 H new ATOM 0 HG2 GLU A 922 14.684 -32.833 3.287 1.00 61.53 H new ATOM 0 HG3 GLU A 922 13.086 -33.140 3.937 1.00 61.53 H new ATOM 2145 N MET A 923 15.876 -32.532 7.586 1.00 51.15 N ATOM 2146 CA MET A 923 16.188 -32.407 8.999 1.00 21.52 C ATOM 2147 C MET A 923 17.572 -31.786 9.203 1.00 74.54 C ATOM 2148 O MET A 923 17.714 -30.804 9.928 1.00 1.43 O ATOM 2149 CB MET A 923 16.147 -33.789 9.655 1.00 62.33 C ATOM 2150 CG MET A 923 14.724 -34.351 9.662 1.00 50.13 C ATOM 2151 SD MET A 923 14.746 -36.063 10.167 1.00 14.42 S ATOM 2152 CE MET A 923 13.364 -36.069 11.298 1.00 63.41 C ATOM 0 H MET A 923 15.444 -33.417 7.321 1.00 51.15 H new ATOM 0 HA MET A 923 15.446 -31.754 9.459 1.00 21.52 H new ATOM 0 HB2 MET A 923 16.808 -34.470 9.119 1.00 62.33 H new ATOM 0 HB3 MET A 923 16.520 -33.722 10.677 1.00 62.33 H new ATOM 0 HG2 MET A 923 14.099 -33.771 10.341 1.00 50.13 H new ATOM 0 HG3 MET A 923 14.284 -34.262 8.669 1.00 50.13 H new ATOM 0 HE1 MET A 923 12.762 -36.963 11.133 1.00 63.41 H new ATOM 0 HE2 MET A 923 13.733 -36.065 12.324 1.00 63.41 H new ATOM 0 HE3 MET A 923 12.752 -35.183 11.129 1.00 63.41 H new ATOM 2162 N SER A 924 18.556 -32.386 8.549 1.00 51.42 N ATOM 2163 CA SER A 924 19.923 -31.904 8.649 1.00 41.32 C ATOM 2164 C SER A 924 20.680 -32.204 7.354 1.00 71.34 C ATOM 2165 O SER A 924 20.121 -32.783 6.424 1.00 74.34 O ATOM 2166 CB SER A 924 20.643 -32.534 9.843 1.00 41.52 C ATOM 2167 OG SER A 924 19.850 -32.493 11.026 1.00 22.42 O ATOM 0 H SER A 924 18.434 -33.201 7.948 1.00 51.42 H new ATOM 0 HA SER A 924 19.895 -30.825 8.804 1.00 41.32 H new ATOM 0 HB2 SER A 924 20.894 -33.569 9.610 1.00 41.52 H new ATOM 0 HB3 SER A 924 21.583 -32.010 10.018 1.00 41.52 H new ATOM 0 HG SER A 924 20.344 -32.906 11.765 1.00 22.42 H new ATOM 2173 N LYS A 925 21.941 -31.797 7.334 1.00 34.35 N ATOM 2174 CA LYS A 925 22.780 -32.016 6.169 1.00 40.23 C ATOM 2175 C LYS A 925 22.617 -33.460 5.692 1.00 61.42 C ATOM 2176 O LYS A 925 23.271 -34.366 6.208 1.00 53.32 O ATOM 2177 CB LYS A 925 24.229 -31.628 6.471 1.00 12.23 C ATOM 2178 CG LYS A 925 25.032 -31.458 5.180 1.00 21.32 C ATOM 2179 CD LYS A 925 26.261 -30.577 5.411 1.00 41.31 C ATOM 2180 CE LYS A 925 27.222 -31.226 6.408 1.00 23.24 C ATOM 2181 NZ LYS A 925 28.454 -30.416 6.544 1.00 35.34 N ATOM 0 H LYS A 925 22.402 -31.317 8.107 1.00 34.35 H new ATOM 0 HA LYS A 925 22.466 -31.371 5.348 1.00 40.23 H new ATOM 0 HB2 LYS A 925 24.249 -30.699 7.041 1.00 12.23 H new ATOM 0 HB3 LYS A 925 24.692 -32.394 7.093 1.00 12.23 H new ATOM 0 HG2 LYS A 925 25.345 -32.435 4.811 1.00 21.32 H new ATOM 0 HG3 LYS A 925 24.401 -31.013 4.411 1.00 21.32 H new ATOM 0 HD2 LYS A 925 26.774 -30.407 4.464 1.00 41.31 H new ATOM 0 HD3 LYS A 925 25.949 -29.602 5.784 1.00 41.31 H new ATOM 0 HE2 LYS A 925 26.736 -31.325 7.379 1.00 23.24 H new ATOM 0 HE3 LYS A 925 27.476 -32.232 6.075 1.00 23.24 H new ATOM 0 HZ1 LYS A 925 29.095 -30.871 7.225 1.00 35.34 H new ATOM 0 HZ2 LYS A 925 28.925 -30.343 5.620 1.00 35.34 H new ATOM 0 HZ3 LYS A 925 28.208 -29.464 6.883 1.00 35.34 H new TER 2194 LYS A 925