USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1094 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 869 CYS SG : rot 180:sc= -0.105 USER MOD Set 1.2: A 870 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 864 CYS SG : rot 88:sc= -0.582! USER MOD Set 2.2: A 868 ASN : amide:sc= -3.29! C(o=-3.9!,f=-4.1!) USER MOD Set 3.1: A 858 LYS NZ :NH3+ -147:sc= -0.39 (180deg=-2.92!) USER MOD Set 3.2: A 861 LYS NZ :NH3+ 170:sc=-0.00721 (180deg=-0.099) USER MOD Set 4.1: A 812 LYS NZ :NH3+ -175:sc= 0.982 (180deg=0) USER MOD Set 4.2: A 813 CYS SG : rot 180:sc= 0.162 USER MOD Single : A 793 SER OG : rot 180:sc= 0 USER MOD Single : A 794 GLN : amide:sc= -0.166 K(o=-0.17,f=-2!) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 798 LYS NZ :NH3+ 156:sc= -0.336 (180deg=-1.37!) USER MOD Single : A 803 LYS NZ :NH3+ 156:sc= -0.092 (180deg=-0.731) USER MOD Single : A 805 ASN : amide:sc= -8.34! C(o=-8.3!,f=-3.2!) USER MOD Single : A 806 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 807 LYS NZ :NH3+ -156:sc= -0.563 (180deg=-1.32) USER MOD Single : A 810 CYS SG : rot 125:sc= 1.85 USER MOD Single : A 814 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0179) USER MOD Single : A 818 CYS SG : rot 180:sc= -0.0166 USER MOD Single : A 819 TYR OH : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 86:sc= -0.441! USER MOD Single : A 829 CYS SG : rot 180:sc= 0 USER MOD Single : A 830 HIS : no HD1:sc= -11.2! C(o=-11!,f=-6!) USER MOD Single : A 831 TYR OH : rot 1:sc= -7.66! USER MOD Single : A 832 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 839 LYS NZ :NH3+ 165:sc= 0.0361 (180deg=-0.663) USER MOD Single : A 841 CYS SG : rot 93:sc= 1.12 USER MOD Single : A 844 SER OG : rot 7:sc= 0.302! USER MOD Single : A 847 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-2.8!) USER MOD Single : A 849 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 851 LYS NZ :NH3+ 156:sc= -0.0544 (180deg=-0.521) USER MOD Single : A 852 GLN : amide:sc= 0 X(o=0,f=-0.083) 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 867 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 871 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-0.68) USER MOD Single : A 876 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-2.4!) USER MOD Single : A 878 LYS NZ :NH3+ -152:sc= -1.35 (180deg=-2.57!) USER MOD Single : A 879 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 881 THR OG1 : rot -77:sc= 0.924! USER MOD Single : A 888 LYS NZ :NH3+ -152:sc= 0.0388 (180deg=0) USER MOD Single : A 891 SER OG : rot 90:sc= -0.744 USER MOD Single : A 899 THR OG1 : rot 180:sc= -2.08! USER MOD Single : A 902 GLN : amide:sc= -1.69 K(o=-1.7,f=0) USER MOD Single : A 903 THR OG1 : rot -6:sc= 0.806 USER MOD Single : A 905 TYR OH : rot 180:sc= 0 USER MOD Single : A 906 SER OG : rot 180:sc= 0 USER MOD Single : A 907 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 909 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 912 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.24) USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 MET CE :methyl -139:sc= -9.94! (180deg=-19.4!) USER MOD Single : A 924 SER OG : rot 68:sc= 0.0326 USER MOD Single : A 925 LYS NZ :NH3+ -151:sc= -0.156 (180deg=-0.901) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 -21.433 -21.925 10.810 1.00 41.05 N ATOM 2 CA ASP A 792 -22.591 -22.143 9.959 1.00 44.22 C ATOM 3 C ASP A 792 -22.521 -21.196 8.759 1.00 74.44 C ATOM 4 O ASP A 792 -22.895 -20.029 8.862 1.00 72.13 O ATOM 5 CB ASP A 792 -23.890 -21.855 10.713 1.00 32.42 C ATOM 6 CG ASP A 792 -25.171 -22.177 9.941 1.00 70.24 C ATOM 7 OD1 ASP A 792 -25.801 -21.288 9.350 1.00 40.44 O ATOM 8 OD2 ASP A 792 -25.523 -23.418 9.961 1.00 64.22 O ATOM 0 HA ASP A 792 -22.583 -23.185 9.639 1.00 44.22 H new ATOM 0 HB2 ASP A 792 -23.889 -22.428 11.640 1.00 32.42 H new ATOM 0 HB3 ASP A 792 -23.906 -20.801 10.990 1.00 32.42 H new ATOM 14 N SER A 793 -22.041 -21.735 7.648 1.00 64.12 N ATOM 15 CA SER A 793 -21.918 -20.953 6.429 1.00 24.22 C ATOM 16 C SER A 793 -22.745 -21.592 5.312 1.00 64.32 C ATOM 17 O SER A 793 -23.072 -22.776 5.376 1.00 32.14 O ATOM 18 CB SER A 793 -20.454 -20.827 6.001 1.00 32.40 C ATOM 19 OG SER A 793 -19.567 -20.861 7.116 1.00 60.33 O ATOM 0 H SER A 793 -21.733 -22.704 7.566 1.00 64.12 H new ATOM 0 HA SER A 793 -22.298 -19.951 6.625 1.00 24.22 H new ATOM 0 HB2 SER A 793 -20.206 -21.637 5.315 1.00 32.40 H new ATOM 0 HB3 SER A 793 -20.315 -19.894 5.455 1.00 32.40 H new ATOM 0 HG SER A 793 -18.643 -20.780 6.801 1.00 60.33 H new ATOM 25 N GLN A 794 -23.058 -20.780 4.313 1.00 33.30 N ATOM 26 CA GLN A 794 -23.841 -21.251 3.183 1.00 63.51 C ATOM 27 C GLN A 794 -23.010 -21.191 1.900 1.00 42.43 C ATOM 28 O GLN A 794 -23.555 -21.259 0.799 1.00 1.12 O ATOM 29 CB GLN A 794 -25.134 -20.446 3.038 1.00 64.55 C ATOM 30 CG GLN A 794 -26.076 -20.705 4.215 1.00 71.43 C ATOM 31 CD GLN A 794 -27.021 -19.522 4.431 1.00 11.40 C ATOM 32 OE1 GLN A 794 -26.757 -18.401 4.026 1.00 32.41 O ATOM 33 NE2 GLN A 794 -28.134 -19.831 5.090 1.00 21.23 N ATOM 0 H GLN A 794 -22.784 -19.799 4.262 1.00 33.30 H new ATOM 0 HA GLN A 794 -24.118 -22.289 3.365 1.00 63.51 H new ATOM 0 HB2 GLN A 794 -24.900 -19.383 2.982 1.00 64.55 H new ATOM 0 HB3 GLN A 794 -25.630 -20.713 2.105 1.00 64.55 H new ATOM 0 HG2 GLN A 794 -26.656 -21.609 4.029 1.00 71.43 H new ATOM 0 HG3 GLN A 794 -25.494 -20.880 5.120 1.00 71.43 H new ATOM 0 HE21 GLN A 794 -28.293 -20.789 5.401 1.00 21.23 H new ATOM 0 HE22 GLN A 794 -28.829 -19.110 5.284 1.00 21.23 H new ATOM 42 N GLU A 795 -21.704 -21.063 2.084 1.00 41.13 N ATOM 43 CA GLU A 795 -20.792 -20.992 0.954 1.00 34.13 C ATOM 44 C GLU A 795 -20.055 -22.322 0.784 1.00 44.44 C ATOM 45 O GLU A 795 -19.348 -22.764 1.688 1.00 41.01 O ATOM 46 CB GLU A 795 -19.805 -19.835 1.118 1.00 15.50 C ATOM 47 CG GLU A 795 -19.319 -19.332 -0.243 1.00 14.22 C ATOM 48 CD GLU A 795 -18.183 -18.320 -0.080 1.00 32.13 C ATOM 49 OE1 GLU A 795 -17.042 -18.601 -0.473 1.00 65.34 O ATOM 50 OE2 GLU A 795 -18.520 -17.207 0.478 1.00 14.20 O ATOM 0 H GLU A 795 -21.255 -21.007 2.998 1.00 41.13 H new ATOM 0 HA GLU A 795 -21.375 -20.803 0.052 1.00 34.13 H new ATOM 0 HB2 GLU A 795 -20.282 -19.020 1.662 1.00 15.50 H new ATOM 0 HB3 GLU A 795 -18.953 -20.161 1.715 1.00 15.50 H new ATOM 0 HG2 GLU A 795 -18.977 -20.174 -0.845 1.00 14.22 H new ATOM 0 HG3 GLU A 795 -20.147 -18.871 -0.781 1.00 14.22 H new ATOM 58 N LYS A 796 -20.244 -22.921 -0.382 1.00 73.54 N ATOM 59 CA LYS A 796 -19.606 -24.191 -0.683 1.00 64.53 C ATOM 60 C LYS A 796 -18.106 -23.967 -0.888 1.00 21.55 C ATOM 61 O LYS A 796 -17.680 -22.865 -1.227 1.00 41.25 O ATOM 62 CB LYS A 796 -20.293 -24.869 -1.870 1.00 74.21 C ATOM 63 CG LYS A 796 -21.574 -25.580 -1.429 1.00 32.44 C ATOM 64 CD LYS A 796 -21.281 -26.610 -0.335 1.00 43.33 C ATOM 65 CE LYS A 796 -22.297 -27.752 -0.371 1.00 74.50 C ATOM 66 NZ LYS A 796 -22.457 -28.347 0.975 1.00 4.21 N ATOM 0 H LYS A 796 -20.830 -22.550 -1.130 1.00 73.54 H new ATOM 0 HA LYS A 796 -19.716 -24.880 0.155 1.00 64.53 H new ATOM 0 HB2 LYS A 796 -20.529 -24.126 -2.631 1.00 74.21 H new ATOM 0 HB3 LYS A 796 -19.613 -25.588 -2.327 1.00 74.21 H new ATOM 0 HG2 LYS A 796 -22.292 -24.848 -1.061 1.00 32.44 H new ATOM 0 HG3 LYS A 796 -22.033 -26.074 -2.285 1.00 32.44 H new ATOM 0 HD2 LYS A 796 -20.275 -27.009 -0.466 1.00 43.33 H new ATOM 0 HD3 LYS A 796 -21.307 -26.126 0.641 1.00 43.33 H new ATOM 0 HE2 LYS A 796 -23.258 -27.381 -0.727 1.00 74.50 H new ATOM 0 HE3 LYS A 796 -21.969 -28.516 -1.076 1.00 74.50 H new ATOM 0 HZ1 LYS A 796 -23.150 -29.121 0.932 1.00 4.21 H new ATOM 0 HZ2 LYS A 796 -21.542 -28.719 1.301 1.00 4.21 H new ATOM 0 HZ3 LYS A 796 -22.791 -27.619 1.639 1.00 4.21 H new ATOM 79 N PRO A 797 -17.326 -25.060 -0.666 1.00 13.52 N ATOM 80 CA PRO A 797 -15.883 -24.993 -0.822 1.00 12.02 C ATOM 81 C PRO A 797 -15.492 -24.971 -2.301 1.00 30.11 C ATOM 82 O PRO A 797 -16.268 -25.391 -3.158 1.00 64.51 O ATOM 83 CB PRO A 797 -15.351 -26.211 -0.085 1.00 32.13 C ATOM 84 CG PRO A 797 -16.530 -27.160 0.058 1.00 13.21 C ATOM 85 CD PRO A 797 -17.796 -26.382 -0.262 1.00 50.41 C ATOM 0 HA PRO A 797 -15.457 -24.078 -0.411 1.00 12.02 H new ATOM 0 HB2 PRO A 797 -14.538 -26.679 -0.640 1.00 32.13 H new ATOM 0 HB3 PRO A 797 -14.952 -25.934 0.891 1.00 32.13 H new ATOM 0 HG2 PRO A 797 -16.422 -28.008 -0.618 1.00 13.21 H new ATOM 0 HG3 PRO A 797 -16.575 -27.563 1.070 1.00 13.21 H new ATOM 0 HD2 PRO A 797 -18.364 -26.861 -1.059 1.00 50.41 H new ATOM 0 HD3 PRO A 797 -18.453 -26.321 0.605 1.00 50.41 H new ATOM 93 N LYS A 798 -14.289 -24.477 -2.555 1.00 13.33 N ATOM 94 CA LYS A 798 -13.786 -24.395 -3.915 1.00 43.42 C ATOM 95 C LYS A 798 -12.420 -25.080 -3.991 1.00 71.41 C ATOM 96 O LYS A 798 -11.739 -25.229 -2.978 1.00 2.21 O ATOM 97 CB LYS A 798 -13.772 -22.942 -4.395 1.00 2.24 C ATOM 98 CG LYS A 798 -15.091 -22.242 -4.061 1.00 41.23 C ATOM 99 CD LYS A 798 -15.030 -21.586 -2.680 1.00 71.41 C ATOM 100 CE LYS A 798 -14.238 -20.278 -2.728 1.00 61.43 C ATOM 101 NZ LYS A 798 -14.730 -19.415 -3.825 1.00 44.12 N ATOM 0 H LYS A 798 -13.648 -24.130 -1.842 1.00 13.33 H new ATOM 0 HA LYS A 798 -14.449 -24.926 -4.598 1.00 43.42 H new ATOM 0 HB2 LYS A 798 -12.944 -22.409 -3.927 1.00 2.24 H new ATOM 0 HB3 LYS A 798 -13.603 -22.912 -5.471 1.00 2.24 H new ATOM 0 HG2 LYS A 798 -15.308 -21.487 -4.817 1.00 41.23 H new ATOM 0 HG3 LYS A 798 -15.907 -22.964 -4.089 1.00 41.23 H new ATOM 0 HD2 LYS A 798 -16.041 -21.390 -2.322 1.00 71.41 H new ATOM 0 HD3 LYS A 798 -14.567 -22.270 -1.969 1.00 71.41 H new ATOM 0 HE2 LYS A 798 -14.330 -19.755 -1.776 1.00 61.43 H new ATOM 0 HE3 LYS A 798 -13.179 -20.492 -2.873 1.00 61.43 H new ATOM 0 HZ1 LYS A 798 -14.501 -18.422 -3.615 1.00 44.12 H new ATOM 0 HZ2 LYS A 798 -14.274 -19.694 -4.717 1.00 44.12 H new ATOM 0 HZ3 LYS A 798 -15.761 -19.521 -3.915 1.00 44.12 H new ATOM 114 N PRO A 799 -12.051 -25.491 -5.234 1.00 54.22 N ATOM 115 CA PRO A 799 -10.779 -26.157 -5.456 1.00 34.33 C ATOM 116 C PRO A 799 -9.621 -25.159 -5.404 1.00 20.12 C ATOM 117 O PRO A 799 -9.829 -23.974 -5.149 1.00 0.13 O ATOM 118 CB PRO A 799 -10.920 -26.834 -6.809 1.00 73.03 C ATOM 119 CG PRO A 799 -12.083 -26.143 -7.502 1.00 14.40 C ATOM 120 CD PRO A 799 -12.833 -25.332 -6.457 1.00 43.22 C ATOM 0 HA PRO A 799 -10.547 -26.889 -4.682 1.00 34.33 H new ATOM 0 HB2 PRO A 799 -10.004 -26.736 -7.392 1.00 73.03 H new ATOM 0 HB3 PRO A 799 -11.112 -27.901 -6.694 1.00 73.03 H new ATOM 0 HG2 PRO A 799 -11.721 -25.495 -8.301 1.00 14.40 H new ATOM 0 HG3 PRO A 799 -12.744 -26.877 -7.962 1.00 14.40 H new ATOM 0 HD2 PRO A 799 -12.906 -24.284 -6.747 1.00 43.22 H new ATOM 0 HD3 PRO A 799 -13.851 -25.699 -6.327 1.00 43.22 H new ATOM 128 N VAL A 800 -8.426 -25.675 -5.650 1.00 62.21 N ATOM 129 CA VAL A 800 -7.234 -24.844 -5.635 1.00 11.11 C ATOM 130 C VAL A 800 -6.607 -24.834 -7.030 1.00 43.03 C ATOM 131 O VAL A 800 -6.633 -25.843 -7.734 1.00 2.42 O ATOM 132 CB VAL A 800 -6.271 -25.330 -4.550 1.00 10.22 C ATOM 133 CG1 VAL A 800 -5.271 -26.339 -5.117 1.00 22.35 C ATOM 134 CG2 VAL A 800 -5.549 -24.153 -3.891 1.00 2.11 C ATOM 0 H VAL A 800 -8.257 -26.659 -5.861 1.00 62.21 H new ATOM 0 HA VAL A 800 -7.490 -23.814 -5.386 1.00 11.11 H new ATOM 0 HB VAL A 800 -6.858 -25.835 -3.783 1.00 10.22 H new ATOM 0 HG11 VAL A 800 -4.598 -26.669 -4.325 1.00 22.35 H new ATOM 0 HG12 VAL A 800 -5.809 -27.198 -5.517 1.00 22.35 H new ATOM 0 HG13 VAL A 800 -4.693 -25.870 -5.913 1.00 22.35 H new ATOM 0 HG21 VAL A 800 -4.871 -24.526 -3.124 1.00 2.11 H new ATOM 0 HG22 VAL A 800 -4.980 -23.607 -4.644 1.00 2.11 H new ATOM 0 HG23 VAL A 800 -6.281 -23.486 -3.435 1.00 2.11 H new ATOM 144 N PRO A 801 -6.043 -23.652 -7.399 1.00 22.45 N ATOM 145 CA PRO A 801 -5.410 -23.498 -8.697 1.00 43.22 C ATOM 146 C PRO A 801 -4.049 -24.197 -8.731 1.00 33.22 C ATOM 147 O PRO A 801 -3.942 -25.333 -9.191 1.00 54.24 O ATOM 148 CB PRO A 801 -5.311 -21.996 -8.910 1.00 71.14 C ATOM 149 CG PRO A 801 -5.464 -21.369 -7.534 1.00 40.24 C ATOM 150 CD PRO A 801 -5.993 -22.437 -6.591 1.00 51.13 C ATOM 0 HA PRO A 801 -5.980 -23.965 -9.500 1.00 43.22 H new ATOM 0 HB2 PRO A 801 -4.354 -21.727 -9.357 1.00 71.14 H new ATOM 0 HB3 PRO A 801 -6.089 -21.645 -9.588 1.00 71.14 H new ATOM 0 HG2 PRO A 801 -4.506 -20.988 -7.180 1.00 40.24 H new ATOM 0 HG3 PRO A 801 -6.149 -20.522 -7.574 1.00 40.24 H new ATOM 0 HD2 PRO A 801 -5.339 -22.562 -5.728 1.00 51.13 H new ATOM 0 HD3 PRO A 801 -6.979 -22.175 -6.209 1.00 51.13 H new ATOM 158 N ASP A 802 -3.044 -23.490 -8.237 1.00 22.03 N ATOM 159 CA ASP A 802 -1.695 -24.029 -8.204 1.00 43.22 C ATOM 160 C ASP A 802 -1.689 -25.329 -7.398 1.00 62.21 C ATOM 161 O ASP A 802 -2.744 -25.828 -7.011 1.00 31.52 O ATOM 162 CB ASP A 802 -0.728 -23.052 -7.533 1.00 4.12 C ATOM 163 CG ASP A 802 -1.073 -22.692 -6.086 1.00 44.24 C ATOM 164 OD1 ASP A 802 -2.190 -22.948 -5.613 1.00 63.44 O ATOM 165 OD2 ASP A 802 -0.125 -22.116 -5.427 1.00 50.21 O ATOM 0 H ASP A 802 -3.137 -22.548 -7.856 1.00 22.03 H new ATOM 0 HA ASP A 802 -1.376 -24.203 -9.232 1.00 43.22 H new ATOM 0 HB2 ASP A 802 0.273 -23.482 -7.556 1.00 4.12 H new ATOM 0 HB3 ASP A 802 -0.695 -22.135 -8.122 1.00 4.12 H new ATOM 171 N LYS A 803 -0.488 -25.841 -7.169 1.00 52.42 N ATOM 172 CA LYS A 803 -0.331 -27.073 -6.416 1.00 60.31 C ATOM 173 C LYS A 803 -1.187 -27.005 -5.150 1.00 0.02 C ATOM 174 O LYS A 803 -1.738 -25.955 -4.825 1.00 15.40 O ATOM 175 CB LYS A 803 1.149 -27.350 -6.144 1.00 0.32 C ATOM 176 CG LYS A 803 1.775 -28.154 -7.284 1.00 65.35 C ATOM 177 CD LYS A 803 3.216 -27.709 -7.543 1.00 2.12 C ATOM 178 CE LYS A 803 3.728 -28.256 -8.877 1.00 24.34 C ATOM 179 NZ LYS A 803 2.934 -27.711 -10.000 1.00 33.31 N ATOM 0 H LYS A 803 0.385 -25.424 -7.492 1.00 52.42 H new ATOM 0 HA LYS A 803 -0.689 -27.923 -6.997 1.00 60.31 H new ATOM 0 HB2 LYS A 803 1.683 -26.407 -6.023 1.00 0.32 H new ATOM 0 HB3 LYS A 803 1.254 -27.898 -5.208 1.00 0.32 H new ATOM 0 HG2 LYS A 803 1.757 -29.216 -7.037 1.00 65.35 H new ATOM 0 HG3 LYS A 803 1.183 -28.028 -8.191 1.00 65.35 H new ATOM 0 HD2 LYS A 803 3.269 -26.620 -7.548 1.00 2.12 H new ATOM 0 HD3 LYS A 803 3.858 -28.055 -6.733 1.00 2.12 H new ATOM 0 HE2 LYS A 803 4.778 -27.993 -9.005 1.00 24.34 H new ATOM 0 HE3 LYS A 803 3.669 -29.344 -8.877 1.00 24.34 H new ATOM 0 HZ1 LYS A 803 3.500 -27.741 -10.872 1.00 33.31 H new ATOM 0 HZ2 LYS A 803 2.074 -28.281 -10.126 1.00 33.31 H new ATOM 0 HZ3 LYS A 803 2.670 -26.727 -9.793 1.00 33.31 H new ATOM 192 N GLU A 804 -1.271 -28.138 -4.469 1.00 71.51 N ATOM 193 CA GLU A 804 -2.051 -28.221 -3.246 1.00 3.55 C ATOM 194 C GLU A 804 -1.230 -27.712 -2.058 1.00 55.44 C ATOM 195 O GLU A 804 -1.017 -28.439 -1.090 1.00 4.02 O ATOM 196 CB GLU A 804 -2.540 -29.650 -3.002 1.00 4.43 C ATOM 197 CG GLU A 804 -3.103 -30.263 -4.285 1.00 54.31 C ATOM 198 CD GLU A 804 -3.828 -31.578 -3.992 1.00 15.20 C ATOM 199 OE1 GLU A 804 -4.172 -31.851 -2.832 1.00 55.14 O ATOM 200 OE2 GLU A 804 -4.033 -32.329 -5.021 1.00 11.42 O ATOM 0 H GLU A 804 -0.811 -29.007 -4.741 1.00 71.51 H new ATOM 0 HA GLU A 804 -2.930 -27.586 -3.355 1.00 3.55 H new ATOM 0 HB2 GLU A 804 -1.717 -30.262 -2.633 1.00 4.43 H new ATOM 0 HB3 GLU A 804 -3.308 -29.648 -2.228 1.00 4.43 H new ATOM 0 HG2 GLU A 804 -3.791 -29.561 -4.756 1.00 54.31 H new ATOM 0 HG3 GLU A 804 -2.294 -30.440 -4.993 1.00 54.31 H new ATOM 208 N ASN A 805 -0.793 -26.466 -2.173 1.00 35.14 N ATOM 209 CA ASN A 805 -0.001 -25.851 -1.121 1.00 35.42 C ATOM 210 C ASN A 805 -0.825 -24.754 -0.444 1.00 3.22 C ATOM 211 O ASN A 805 -1.637 -24.094 -1.090 1.00 71.12 O ATOM 212 CB ASN A 805 1.266 -25.210 -1.689 1.00 54.51 C ATOM 213 CG ASN A 805 1.850 -24.190 -0.710 1.00 2.41 C ATOM 214 OD1 ASN A 805 2.115 -23.048 -1.047 1.00 44.44 O ATOM 215 ND2 ASN A 805 2.036 -24.664 0.519 1.00 54.03 N ATOM 0 H ASN A 805 -0.972 -25.866 -2.978 1.00 35.14 H new ATOM 0 HA ASN A 805 0.277 -26.628 -0.409 1.00 35.42 H new ATOM 0 HB2 ASN A 805 2.006 -25.982 -1.899 1.00 54.51 H new ATOM 0 HB3 ASN A 805 1.037 -24.721 -2.636 1.00 54.51 H new ATOM 0 HD21 ASN A 805 2.422 -24.061 1.245 1.00 54.03 H new ATOM 0 HD22 ASN A 805 1.793 -25.631 0.735 1.00 54.03 H new ATOM 222 N LYS A 806 -0.586 -24.592 0.849 1.00 32.04 N ATOM 223 CA LYS A 806 -1.295 -23.586 1.621 1.00 14.31 C ATOM 224 C LYS A 806 -0.298 -22.824 2.497 1.00 72.41 C ATOM 225 O LYS A 806 0.727 -23.373 2.897 1.00 65.14 O ATOM 226 CB LYS A 806 -2.443 -24.223 2.407 1.00 24.43 C ATOM 227 CG LYS A 806 -2.840 -23.353 3.601 1.00 5.13 C ATOM 228 CD LYS A 806 -4.282 -23.633 4.029 1.00 25.41 C ATOM 229 CE LYS A 806 -4.533 -25.137 4.155 1.00 74.35 C ATOM 230 NZ LYS A 806 -5.773 -25.393 4.922 1.00 4.14 N ATOM 0 H LYS A 806 0.089 -25.141 1.382 1.00 32.04 H new ATOM 0 HA LYS A 806 -1.760 -22.856 0.958 1.00 14.31 H new ATOM 0 HB2 LYS A 806 -3.303 -24.362 1.752 1.00 24.43 H new ATOM 0 HB3 LYS A 806 -2.145 -25.212 2.756 1.00 24.43 H new ATOM 0 HG2 LYS A 806 -2.166 -23.545 4.435 1.00 5.13 H new ATOM 0 HG3 LYS A 806 -2.732 -22.300 3.340 1.00 5.13 H new ATOM 0 HD2 LYS A 806 -4.483 -23.146 4.983 1.00 25.41 H new ATOM 0 HD3 LYS A 806 -4.971 -23.205 3.301 1.00 25.41 H new ATOM 0 HE2 LYS A 806 -4.613 -25.583 3.163 1.00 74.35 H new ATOM 0 HE3 LYS A 806 -3.687 -25.613 4.651 1.00 74.35 H new ATOM 0 HZ1 LYS A 806 -5.929 -26.418 4.998 1.00 4.14 H new ATOM 0 HZ2 LYS A 806 -5.683 -24.985 5.874 1.00 4.14 H new ATOM 0 HZ3 LYS A 806 -6.580 -24.956 4.433 1.00 4.14 H new ATOM 243 N LYS A 807 -0.634 -21.572 2.769 1.00 35.25 N ATOM 244 CA LYS A 807 0.219 -20.730 3.591 1.00 54.04 C ATOM 245 C LYS A 807 -0.288 -20.752 5.034 1.00 1.12 C ATOM 246 O LYS A 807 -1.461 -21.027 5.280 1.00 72.40 O ATOM 247 CB LYS A 807 0.317 -19.324 2.995 1.00 60.23 C ATOM 248 CG LYS A 807 1.067 -18.380 3.937 1.00 34.42 C ATOM 249 CD LYS A 807 1.113 -16.961 3.369 1.00 54.41 C ATOM 250 CE LYS A 807 -0.292 -16.360 3.279 1.00 61.41 C ATOM 251 NZ LYS A 807 -0.242 -14.894 3.475 1.00 74.22 N ATOM 0 H LYS A 807 -1.485 -21.120 2.435 1.00 35.25 H new ATOM 0 HA LYS A 807 1.238 -21.118 3.605 1.00 54.04 H new ATOM 0 HB2 LYS A 807 0.830 -19.367 2.034 1.00 60.23 H new ATOM 0 HB3 LYS A 807 -0.683 -18.935 2.805 1.00 60.23 H new ATOM 0 HG2 LYS A 807 0.579 -18.370 4.912 1.00 34.42 H new ATOM 0 HG3 LYS A 807 2.082 -18.746 4.093 1.00 34.42 H new ATOM 0 HD2 LYS A 807 1.741 -16.333 4.001 1.00 54.41 H new ATOM 0 HD3 LYS A 807 1.570 -16.976 2.380 1.00 54.41 H new ATOM 0 HE2 LYS A 807 -0.730 -16.588 2.307 1.00 61.41 H new ATOM 0 HE3 LYS A 807 -0.936 -16.812 4.033 1.00 61.41 H new ATOM 0 HZ1 LYS A 807 -1.166 -14.557 3.813 1.00 74.22 H new ATOM 0 HZ2 LYS A 807 0.489 -14.662 4.177 1.00 74.22 H new ATOM 0 HZ3 LYS A 807 -0.014 -14.431 2.572 1.00 74.22 H new ATOM 264 N LEU A 808 0.622 -20.458 5.951 1.00 11.03 N ATOM 265 CA LEU A 808 0.282 -20.440 7.364 1.00 61.50 C ATOM 266 C LEU A 808 0.715 -19.105 7.972 1.00 50.33 C ATOM 267 O LEU A 808 1.732 -18.539 7.575 1.00 45.21 O ATOM 268 CB LEU A 808 0.875 -21.660 8.073 1.00 43.31 C ATOM 269 CG LEU A 808 0.195 -23.000 7.785 1.00 0.31 C ATOM 270 CD1 LEU A 808 0.786 -23.658 6.537 1.00 4.20 C ATOM 271 CD2 LEU A 808 0.261 -23.921 9.005 1.00 72.12 C ATOM 0 H LEU A 808 1.594 -20.230 5.743 1.00 11.03 H new ATOM 0 HA LEU A 808 -0.797 -20.516 7.497 1.00 61.50 H new ATOM 0 HB2 LEU A 808 1.926 -21.741 7.795 1.00 43.31 H new ATOM 0 HB3 LEU A 808 0.842 -21.482 9.148 1.00 43.31 H new ATOM 0 HG LEU A 808 -0.859 -22.812 7.580 1.00 0.31 H new ATOM 0 HD11 LEU A 808 0.285 -24.609 6.355 1.00 4.20 H new ATOM 0 HD12 LEU A 808 0.644 -23.002 5.678 1.00 4.20 H new ATOM 0 HD13 LEU A 808 1.851 -23.832 6.688 1.00 4.20 H new ATOM 0 HD21 LEU A 808 -0.229 -24.867 8.774 1.00 72.12 H new ATOM 0 HD22 LEU A 808 1.303 -24.107 9.265 1.00 72.12 H new ATOM 0 HD23 LEU A 808 -0.244 -23.447 9.847 1.00 72.12 H new ATOM 283 N LEU A 809 -0.079 -18.640 8.925 1.00 52.43 N ATOM 284 CA LEU A 809 0.209 -17.381 9.591 1.00 1.01 C ATOM 285 C LEU A 809 0.291 -17.615 11.101 1.00 63.42 C ATOM 286 O LEU A 809 -0.076 -18.684 11.588 1.00 52.43 O ATOM 287 CB LEU A 809 -0.813 -16.315 9.189 1.00 65.40 C ATOM 288 CG LEU A 809 -0.444 -15.456 7.978 1.00 3.32 C ATOM 289 CD1 LEU A 809 -0.614 -16.241 6.676 1.00 2.22 C ATOM 290 CD2 LEU A 809 -1.242 -14.150 7.969 1.00 60.50 C ATOM 0 H LEU A 809 -0.922 -19.112 9.252 1.00 52.43 H new ATOM 0 HA LEU A 809 1.178 -16.996 9.274 1.00 1.01 H new ATOM 0 HB2 LEU A 809 -1.762 -16.809 8.983 1.00 65.40 H new ATOM 0 HB3 LEU A 809 -0.975 -15.656 10.042 1.00 65.40 H new ATOM 0 HG LEU A 809 0.610 -15.189 8.057 1.00 3.32 H new ATOM 0 HD11 LEU A 809 -0.345 -15.607 5.831 1.00 2.22 H new ATOM 0 HD12 LEU A 809 0.034 -17.118 6.692 1.00 2.22 H new ATOM 0 HD13 LEU A 809 -1.652 -16.559 6.575 1.00 2.22 H new ATOM 0 HD21 LEU A 809 -0.961 -13.558 7.098 1.00 60.50 H new ATOM 0 HD22 LEU A 809 -2.308 -14.375 7.926 1.00 60.50 H new ATOM 0 HD23 LEU A 809 -1.027 -13.586 8.876 1.00 60.50 H new ATOM 302 N CYS A 810 0.776 -16.599 11.800 1.00 72.43 N ATOM 303 CA CYS A 810 0.911 -16.681 13.244 1.00 31.41 C ATOM 304 C CYS A 810 -0.216 -15.865 13.879 1.00 34.02 C ATOM 305 O CYS A 810 -0.308 -14.657 13.667 1.00 55.03 O ATOM 306 CB CYS A 810 2.290 -16.210 13.711 1.00 73.21 C ATOM 307 SG CYS A 810 2.703 -16.981 15.318 1.00 2.24 S ATOM 0 H CYS A 810 1.080 -15.715 11.393 1.00 72.43 H new ATOM 0 HA CYS A 810 0.828 -17.721 13.561 1.00 31.41 H new ATOM 0 HB2 CYS A 810 3.044 -16.472 12.968 1.00 73.21 H new ATOM 0 HB3 CYS A 810 2.300 -15.124 13.806 1.00 73.21 H new ATOM 0 HG CYS A 810 3.839 -17.606 15.220 1.00 2.24 H new ATOM 313 N ARG A 811 -1.046 -16.557 14.646 1.00 61.41 N ATOM 314 CA ARG A 811 -2.163 -15.912 15.313 1.00 14.34 C ATOM 315 C ARG A 811 -1.665 -14.760 16.189 1.00 73.11 C ATOM 316 O ARG A 811 -2.449 -13.910 16.608 1.00 35.45 O ATOM 317 CB ARG A 811 -2.936 -16.907 16.182 1.00 4.40 C ATOM 318 CG ARG A 811 -4.101 -16.221 16.897 1.00 12.53 C ATOM 319 CD ARG A 811 -3.691 -15.761 18.298 1.00 42.43 C ATOM 320 NE ARG A 811 -4.475 -14.568 18.689 1.00 74.30 N ATOM 321 CZ ARG A 811 -4.373 -13.955 19.887 1.00 14.12 C ATOM 322 NH1 ARG A 811 -3.517 -14.417 20.823 1.00 33.41 N ATOM 323 NH2 ARG A 811 -5.123 -12.896 20.130 1.00 33.12 N ATOM 0 H ARG A 811 -0.967 -17.559 14.820 1.00 61.41 H new ATOM 0 HA ARG A 811 -2.830 -15.525 14.543 1.00 14.34 H new ATOM 0 HB2 ARG A 811 -3.313 -17.720 15.562 1.00 4.40 H new ATOM 0 HB3 ARG A 811 -2.265 -17.352 16.917 1.00 4.40 H new ATOM 0 HG2 ARG A 811 -4.437 -15.364 16.313 1.00 12.53 H new ATOM 0 HG3 ARG A 811 -4.944 -16.908 16.968 1.00 12.53 H new ATOM 0 HD2 ARG A 811 -3.854 -16.565 19.016 1.00 42.43 H new ATOM 0 HD3 ARG A 811 -2.626 -15.529 18.316 1.00 42.43 H new ATOM 0 HE ARG A 811 -5.134 -14.185 18.011 1.00 74.30 H new ATOM 0 HH11 ARG A 811 -2.941 -15.236 20.627 1.00 33.41 H new ATOM 0 HH12 ARG A 811 -3.446 -13.947 21.726 1.00 33.41 H new ATOM 0 HH21 ARG A 811 -5.767 -12.553 19.417 1.00 33.12 H new ATOM 0 HH22 ARG A 811 -5.058 -12.421 21.030 1.00 33.12 H new ATOM 336 N LYS A 812 -0.364 -14.769 16.439 1.00 72.01 N ATOM 337 CA LYS A 812 0.248 -13.736 17.257 1.00 52.20 C ATOM 338 C LYS A 812 -0.090 -12.362 16.673 1.00 31.44 C ATOM 339 O LYS A 812 -0.916 -11.636 17.224 1.00 75.41 O ATOM 340 CB LYS A 812 1.750 -13.989 17.404 1.00 14.35 C ATOM 341 CG LYS A 812 2.481 -12.713 17.828 1.00 23.41 C ATOM 342 CD LYS A 812 2.374 -12.496 19.339 1.00 64.11 C ATOM 343 CE LYS A 812 1.082 -11.760 19.697 1.00 50.33 C ATOM 344 NZ LYS A 812 1.288 -10.295 19.643 1.00 22.10 N ATOM 0 H LYS A 812 0.283 -15.475 16.089 1.00 72.01 H new ATOM 0 HA LYS A 812 -0.157 -13.761 18.269 1.00 52.20 H new ATOM 0 HB2 LYS A 812 1.920 -14.773 18.142 1.00 14.35 H new ATOM 0 HB3 LYS A 812 2.156 -14.348 16.459 1.00 14.35 H new ATOM 0 HG2 LYS A 812 3.530 -12.778 17.540 1.00 23.41 H new ATOM 0 HG3 LYS A 812 2.059 -11.856 17.303 1.00 23.41 H new ATOM 0 HD2 LYS A 812 2.403 -13.458 19.851 1.00 64.11 H new ATOM 0 HD3 LYS A 812 3.232 -11.923 19.689 1.00 64.11 H new ATOM 0 HE2 LYS A 812 0.289 -12.047 19.006 1.00 50.33 H new ATOM 0 HE3 LYS A 812 0.756 -12.051 20.695 1.00 50.33 H new ATOM 0 HZ1 LYS A 812 0.428 -9.811 19.970 1.00 22.10 H new ATOM 0 HZ2 LYS A 812 2.086 -10.034 20.256 1.00 22.10 H new ATOM 0 HZ3 LYS A 812 1.495 -10.009 18.665 1.00 22.10 H new ATOM 357 N CYS A 813 0.566 -12.047 15.566 1.00 22.54 N ATOM 358 CA CYS A 813 0.346 -10.774 14.902 1.00 34.13 C ATOM 359 C CYS A 813 -0.175 -11.052 13.491 1.00 73.31 C ATOM 360 O CYS A 813 -0.042 -10.215 12.600 1.00 42.12 O ATOM 361 CB CYS A 813 1.614 -9.918 14.884 1.00 31.42 C ATOM 362 SG CYS A 813 1.941 -9.249 16.556 1.00 61.14 S ATOM 0 H CYS A 813 1.250 -12.652 15.112 1.00 22.54 H new ATOM 0 HA CYS A 813 -0.395 -10.196 15.455 1.00 34.13 H new ATOM 0 HB2 CYS A 813 2.462 -10.516 14.550 1.00 31.42 H new ATOM 0 HB3 CYS A 813 1.501 -9.101 14.172 1.00 31.42 H new ATOM 0 HG CYS A 813 3.021 -8.526 16.530 1.00 61.14 H new ATOM 368 N LYS A 814 -0.758 -12.231 13.331 1.00 31.44 N ATOM 369 CA LYS A 814 -1.300 -12.630 12.044 1.00 62.55 C ATOM 370 C LYS A 814 -0.280 -12.316 10.947 1.00 73.02 C ATOM 371 O LYS A 814 -0.479 -11.396 10.155 1.00 73.45 O ATOM 372 CB LYS A 814 -2.668 -11.985 11.815 1.00 70.24 C ATOM 373 CG LYS A 814 -3.399 -11.766 13.140 1.00 15.34 C ATOM 374 CD LYS A 814 -3.501 -13.070 13.933 1.00 23.33 C ATOM 375 CE LYS A 814 -4.765 -13.845 13.555 1.00 25.11 C ATOM 376 NZ LYS A 814 -5.950 -13.259 14.220 1.00 70.22 N ATOM 0 H LYS A 814 -0.867 -12.923 14.072 1.00 31.44 H new ATOM 0 HA LYS A 814 -1.473 -13.706 12.021 1.00 62.55 H new ATOM 0 HB2 LYS A 814 -2.543 -11.031 11.302 1.00 70.24 H new ATOM 0 HB3 LYS A 814 -3.269 -12.620 11.164 1.00 70.24 H new ATOM 0 HG2 LYS A 814 -2.871 -11.017 13.731 1.00 15.34 H new ATOM 0 HG3 LYS A 814 -4.398 -11.374 12.948 1.00 15.34 H new ATOM 0 HD2 LYS A 814 -2.622 -13.686 13.742 1.00 23.33 H new ATOM 0 HD3 LYS A 814 -3.510 -12.851 15.001 1.00 23.33 H new ATOM 0 HE2 LYS A 814 -4.901 -13.826 12.474 1.00 25.11 H new ATOM 0 HE3 LYS A 814 -4.658 -14.890 13.844 1.00 25.11 H new ATOM 0 HZ1 LYS A 814 -6.782 -13.855 14.035 1.00 70.22 H new ATOM 0 HZ2 LYS A 814 -5.782 -13.206 15.245 1.00 70.22 H new ATOM 0 HZ3 LYS A 814 -6.120 -12.303 13.847 1.00 70.22 H new ATOM 389 N ALA A 815 0.790 -13.097 10.936 1.00 35.42 N ATOM 390 CA ALA A 815 1.841 -12.914 9.950 1.00 54.12 C ATOM 391 C ALA A 815 2.354 -14.282 9.498 1.00 65.32 C ATOM 392 O ALA A 815 2.387 -15.228 10.284 1.00 3.30 O ATOM 393 CB ALA A 815 2.949 -12.041 10.541 1.00 2.03 C ATOM 0 H ALA A 815 0.952 -13.859 11.595 1.00 35.42 H new ATOM 0 HA ALA A 815 1.456 -12.400 9.069 1.00 54.12 H new ATOM 0 HB1 ALA A 815 3.738 -11.904 9.801 1.00 2.03 H new ATOM 0 HB2 ALA A 815 2.538 -11.070 10.818 1.00 2.03 H new ATOM 0 HB3 ALA A 815 3.362 -12.526 11.425 1.00 2.03 H new ATOM 399 N LEU A 816 2.743 -14.345 8.233 1.00 51.43 N ATOM 400 CA LEU A 816 3.254 -15.582 7.667 1.00 53.54 C ATOM 401 C LEU A 816 4.151 -16.275 8.694 1.00 72.22 C ATOM 402 O LEU A 816 4.936 -15.622 9.379 1.00 13.14 O ATOM 403 CB LEU A 816 3.945 -15.313 6.328 1.00 32.12 C ATOM 404 CG LEU A 816 4.782 -16.462 5.764 1.00 65.34 C ATOM 405 CD1 LEU A 816 6.048 -16.679 6.596 1.00 35.11 C ATOM 406 CD2 LEU A 816 3.950 -17.740 5.643 1.00 73.11 C ATOM 0 H LEU A 816 2.715 -13.559 7.584 1.00 51.43 H new ATOM 0 HA LEU A 816 2.435 -16.267 7.445 1.00 53.54 H new ATOM 0 HB2 LEU A 816 3.183 -15.051 5.594 1.00 32.12 H new ATOM 0 HB3 LEU A 816 4.590 -14.442 6.443 1.00 32.12 H new ATOM 0 HG LEU A 816 5.101 -16.189 4.758 1.00 65.34 H new ATOM 0 HD11 LEU A 816 6.625 -17.502 6.173 1.00 35.11 H new ATOM 0 HD12 LEU A 816 6.650 -15.771 6.586 1.00 35.11 H new ATOM 0 HD13 LEU A 816 5.772 -16.920 7.623 1.00 35.11 H new ATOM 0 HD21 LEU A 816 4.570 -18.541 5.239 1.00 73.11 H new ATOM 0 HD22 LEU A 816 3.580 -18.028 6.627 1.00 73.11 H new ATOM 0 HD23 LEU A 816 3.106 -17.563 4.976 1.00 73.11 H new ATOM 418 N ALA A 817 4.004 -17.590 8.768 1.00 45.13 N ATOM 419 CA ALA A 817 4.792 -18.379 9.700 1.00 73.34 C ATOM 420 C ALA A 817 5.507 -19.497 8.937 1.00 1.54 C ATOM 421 O ALA A 817 6.707 -19.702 9.112 1.00 21.43 O ATOM 422 CB ALA A 817 3.884 -18.918 10.807 1.00 54.31 C ATOM 0 H ALA A 817 3.351 -18.128 8.198 1.00 45.13 H new ATOM 0 HA ALA A 817 5.555 -17.763 10.175 1.00 73.34 H new ATOM 0 HB1 ALA A 817 4.475 -19.510 11.506 1.00 54.31 H new ATOM 0 HB2 ALA A 817 3.422 -18.085 11.337 1.00 54.31 H new ATOM 0 HB3 ALA A 817 3.107 -19.544 10.368 1.00 54.31 H new ATOM 428 N CYS A 818 4.740 -20.189 8.108 1.00 40.40 N ATOM 429 CA CYS A 818 5.285 -21.280 7.318 1.00 5.34 C ATOM 430 C CYS A 818 4.253 -21.668 6.258 1.00 44.00 C ATOM 431 O CYS A 818 3.222 -21.012 6.121 1.00 40.11 O ATOM 432 CB CYS A 818 5.679 -22.470 8.195 1.00 61.41 C ATOM 433 SG CYS A 818 4.455 -22.692 9.537 1.00 54.53 S ATOM 0 H CYS A 818 3.745 -20.015 7.966 1.00 40.40 H new ATOM 0 HA CYS A 818 6.202 -20.955 6.827 1.00 5.34 H new ATOM 0 HB2 CYS A 818 5.736 -23.375 7.590 1.00 61.41 H new ATOM 0 HB3 CYS A 818 6.670 -22.307 8.619 1.00 61.41 H new ATOM 0 HG CYS A 818 4.798 -23.706 10.274 1.00 54.53 H new ATOM 439 N TYR A 819 4.567 -22.733 5.535 1.00 71.01 N ATOM 440 CA TYR A 819 3.679 -23.217 4.491 1.00 45.51 C ATOM 441 C TYR A 819 3.460 -24.726 4.613 1.00 4.10 C ATOM 442 O TYR A 819 4.379 -25.463 4.967 1.00 31.41 O ATOM 443 CB TYR A 819 4.386 -22.921 3.167 1.00 62.35 C ATOM 444 CG TYR A 819 4.477 -21.432 2.828 1.00 73.10 C ATOM 445 CD1 TYR A 819 3.418 -20.800 2.208 1.00 10.45 C ATOM 446 CD2 TYR A 819 5.617 -20.721 3.142 1.00 1.11 C ATOM 447 CE1 TYR A 819 3.503 -19.398 1.890 1.00 41.12 C ATOM 448 CE2 TYR A 819 5.702 -19.319 2.823 1.00 23.25 C ATOM 449 CZ TYR A 819 4.641 -18.727 2.213 1.00 1.10 C ATOM 450 OH TYR A 819 4.722 -17.403 1.912 1.00 35.11 O ATOM 0 H TYR A 819 5.424 -23.274 5.651 1.00 71.01 H new ATOM 0 HA TYR A 819 2.704 -22.735 4.562 1.00 45.51 H new ATOM 0 HB2 TYR A 819 5.393 -23.337 3.204 1.00 62.35 H new ATOM 0 HB3 TYR A 819 3.859 -23.434 2.363 1.00 62.35 H new ATOM 0 HD1 TYR A 819 2.526 -21.357 1.961 1.00 10.45 H new ATOM 0 HD2 TYR A 819 6.446 -21.216 3.627 1.00 1.11 H new ATOM 0 HE1 TYR A 819 2.682 -18.891 1.406 1.00 41.12 H new ATOM 0 HE2 TYR A 819 6.589 -18.751 3.063 1.00 23.25 H new ATOM 0 HH TYR A 819 5.591 -17.054 2.201 1.00 35.11 H new ATOM 460 N THR A 820 2.238 -25.140 4.313 1.00 63.40 N ATOM 461 CA THR A 820 1.887 -26.549 4.385 1.00 51.53 C ATOM 462 C THR A 820 2.760 -27.365 3.430 1.00 21.32 C ATOM 463 O THR A 820 2.985 -28.554 3.652 1.00 2.14 O ATOM 464 CB THR A 820 0.389 -26.677 4.099 1.00 64.21 C ATOM 465 OG1 THR A 820 -0.018 -27.797 4.881 1.00 52.33 O ATOM 466 CG2 THR A 820 0.103 -27.105 2.658 1.00 11.10 C ATOM 0 H THR A 820 1.479 -24.525 4.020 1.00 63.40 H new ATOM 0 HA THR A 820 2.079 -26.955 5.378 1.00 51.53 H new ATOM 0 HB THR A 820 -0.102 -25.725 4.299 1.00 64.21 H new ATOM 0 HG1 THR A 820 -0.232 -27.501 5.790 1.00 52.33 H new ATOM 0 HG21 THR A 820 -0.974 -27.181 2.508 1.00 11.10 H new ATOM 0 HG22 THR A 820 0.514 -26.366 1.970 1.00 11.10 H new ATOM 0 HG23 THR A 820 0.565 -28.074 2.468 1.00 11.10 H new ATOM 474 N ALA A 821 3.228 -26.695 2.388 1.00 44.03 N ATOM 475 CA ALA A 821 4.072 -27.344 1.398 1.00 0.33 C ATOM 476 C ALA A 821 5.408 -27.720 2.042 1.00 61.22 C ATOM 477 O ALA A 821 6.149 -28.543 1.506 1.00 32.55 O ATOM 478 CB ALA A 821 4.246 -26.420 0.191 1.00 30.20 C ATOM 0 H ALA A 821 3.039 -25.709 2.207 1.00 44.03 H new ATOM 0 HA ALA A 821 3.608 -28.263 1.040 1.00 0.33 H new ATOM 0 HB1 ALA A 821 4.879 -26.906 -0.551 1.00 30.20 H new ATOM 0 HB2 ALA A 821 3.271 -26.206 -0.247 1.00 30.20 H new ATOM 0 HB3 ALA A 821 4.712 -25.488 0.510 1.00 30.20 H new ATOM 484 N ASP A 822 5.676 -27.099 3.181 1.00 35.22 N ATOM 485 CA ASP A 822 6.909 -27.359 3.903 1.00 4.23 C ATOM 486 C ASP A 822 6.591 -28.118 5.193 1.00 74.02 C ATOM 487 O ASP A 822 7.429 -28.858 5.705 1.00 10.12 O ATOM 488 CB ASP A 822 7.610 -26.053 4.284 1.00 13.03 C ATOM 489 CG ASP A 822 8.046 -25.185 3.103 1.00 42.43 C ATOM 490 OD1 ASP A 822 7.986 -25.611 1.940 1.00 74.10 O ATOM 491 OD2 ASP A 822 8.469 -24.007 3.418 1.00 33.32 O ATOM 0 H ASP A 822 5.060 -26.416 3.622 1.00 35.22 H new ATOM 0 HA ASP A 822 7.562 -27.944 3.255 1.00 4.23 H new ATOM 0 HB2 ASP A 822 6.940 -25.470 4.916 1.00 13.03 H new ATOM 0 HB3 ASP A 822 8.488 -26.291 4.884 1.00 13.03 H new ATOM 497 N VAL A 823 5.377 -27.909 5.680 1.00 15.42 N ATOM 498 CA VAL A 823 4.936 -28.564 6.900 1.00 25.01 C ATOM 499 C VAL A 823 4.666 -30.042 6.611 1.00 51.12 C ATOM 500 O VAL A 823 3.710 -30.377 5.913 1.00 41.42 O ATOM 501 CB VAL A 823 3.721 -27.835 7.476 1.00 32.35 C ATOM 502 CG1 VAL A 823 3.397 -28.338 8.885 1.00 44.21 C ATOM 503 CG2 VAL A 823 3.936 -26.321 7.470 1.00 10.45 C ATOM 0 H VAL A 823 4.684 -27.295 5.252 1.00 15.42 H new ATOM 0 HA VAL A 823 5.715 -28.519 7.661 1.00 25.01 H new ATOM 0 HB VAL A 823 2.865 -28.054 6.837 1.00 32.35 H new ATOM 0 HG11 VAL A 823 2.529 -27.804 9.272 1.00 44.21 H new ATOM 0 HG12 VAL A 823 3.179 -29.405 8.849 1.00 44.21 H new ATOM 0 HG13 VAL A 823 4.251 -28.164 9.539 1.00 44.21 H new ATOM 0 HG21 VAL A 823 3.057 -25.827 7.885 1.00 10.45 H new ATOM 0 HG22 VAL A 823 4.809 -26.075 8.074 1.00 10.45 H new ATOM 0 HG23 VAL A 823 4.095 -25.980 6.447 1.00 10.45 H new ATOM 513 N ARG A 824 5.525 -30.887 7.162 1.00 12.31 N ATOM 514 CA ARG A 824 5.390 -32.321 6.972 1.00 5.00 C ATOM 515 C ARG A 824 5.340 -33.033 8.325 1.00 32.31 C ATOM 516 O ARG A 824 6.110 -32.712 9.229 1.00 14.11 O ATOM 517 CB ARG A 824 6.556 -32.879 6.153 1.00 73.53 C ATOM 518 CG ARG A 824 6.806 -32.029 4.905 1.00 20.45 C ATOM 519 CD ARG A 824 5.563 -31.983 4.015 1.00 14.31 C ATOM 520 NE ARG A 824 5.962 -31.942 2.590 1.00 15.25 N ATOM 521 CZ ARG A 824 5.202 -31.414 1.607 1.00 63.33 C ATOM 522 NH1 ARG A 824 3.995 -30.878 1.886 1.00 44.42 N ATOM 523 NH2 ARG A 824 5.658 -31.431 0.368 1.00 73.21 N ATOM 0 H ARG A 824 6.317 -30.606 7.740 1.00 12.31 H new ATOM 0 HA ARG A 824 4.461 -32.498 6.430 1.00 5.00 H new ATOM 0 HB2 ARG A 824 7.457 -32.904 6.766 1.00 73.53 H new ATOM 0 HB3 ARG A 824 6.341 -33.907 5.860 1.00 73.53 H new ATOM 0 HG2 ARG A 824 7.084 -31.017 5.200 1.00 20.45 H new ATOM 0 HG3 ARG A 824 7.645 -32.440 4.343 1.00 20.45 H new ATOM 0 HD2 ARG A 824 4.939 -32.857 4.202 1.00 14.31 H new ATOM 0 HD3 ARG A 824 4.963 -31.106 4.259 1.00 14.31 H new ATOM 0 HE ARG A 824 6.867 -32.337 2.335 1.00 15.25 H new ATOM 0 HH11 ARG A 824 3.650 -30.870 2.846 1.00 44.42 H new ATOM 0 HH12 ARG A 824 3.428 -30.481 1.137 1.00 44.42 H new ATOM 0 HH21 ARG A 824 6.571 -31.839 0.166 1.00 73.21 H new ATOM 0 HH22 ARG A 824 5.097 -31.037 -0.387 1.00 73.21 H new ATOM 536 N VAL A 825 4.426 -33.987 8.422 1.00 73.52 N ATOM 537 CA VAL A 825 4.265 -34.748 9.649 1.00 15.04 C ATOM 538 C VAL A 825 4.931 -36.116 9.488 1.00 55.11 C ATOM 539 O VAL A 825 4.883 -36.710 8.412 1.00 64.20 O ATOM 540 CB VAL A 825 2.782 -34.844 10.014 1.00 32.35 C ATOM 541 CG1 VAL A 825 2.305 -33.568 10.710 1.00 35.12 C ATOM 542 CG2 VAL A 825 1.931 -35.146 8.779 1.00 65.31 C ATOM 0 H VAL A 825 3.789 -34.250 7.670 1.00 73.52 H new ATOM 0 HA VAL A 825 4.759 -34.243 10.479 1.00 15.04 H new ATOM 0 HB VAL A 825 2.662 -35.672 10.713 1.00 32.35 H new ATOM 0 HG11 VAL A 825 1.248 -33.663 10.959 1.00 35.12 H new ATOM 0 HG12 VAL A 825 2.880 -33.415 11.623 1.00 35.12 H new ATOM 0 HG13 VAL A 825 2.447 -32.716 10.045 1.00 35.12 H new ATOM 0 HG21 VAL A 825 0.882 -35.209 9.067 1.00 65.31 H new ATOM 0 HG22 VAL A 825 2.059 -34.350 8.045 1.00 65.31 H new ATOM 0 HG23 VAL A 825 2.245 -36.095 8.344 1.00 65.31 H new ATOM 552 N ILE A 826 5.536 -36.576 10.573 1.00 14.32 N ATOM 553 CA ILE A 826 6.210 -37.863 10.565 1.00 4.45 C ATOM 554 C ILE A 826 5.176 -38.977 10.734 1.00 73.14 C ATOM 555 O ILE A 826 4.931 -39.438 11.847 1.00 35.51 O ATOM 556 CB ILE A 826 7.322 -37.891 11.617 1.00 75.21 C ATOM 557 CG1 ILE A 826 8.581 -37.192 11.102 1.00 4.13 C ATOM 558 CG2 ILE A 826 7.607 -39.323 12.074 1.00 31.20 C ATOM 559 CD1 ILE A 826 9.204 -36.314 12.190 1.00 52.44 C ATOM 0 H ILE A 826 5.574 -36.080 11.464 1.00 14.32 H new ATOM 0 HA ILE A 826 6.703 -38.029 9.607 1.00 4.45 H new ATOM 0 HB ILE A 826 6.981 -37.336 12.491 1.00 75.21 H new ATOM 0 HG12 ILE A 826 9.305 -37.936 10.771 1.00 4.13 H new ATOM 0 HG13 ILE A 826 8.333 -36.581 10.234 1.00 4.13 H new ATOM 0 HG21 ILE A 826 8.401 -39.315 12.821 1.00 31.20 H new ATOM 0 HG22 ILE A 826 6.704 -39.753 12.508 1.00 31.20 H new ATOM 0 HG23 ILE A 826 7.919 -39.922 11.219 1.00 31.20 H new ATOM 0 HD11 ILE A 826 10.098 -35.828 11.798 1.00 52.44 H new ATOM 0 HD12 ILE A 826 8.486 -35.556 12.501 1.00 52.44 H new ATOM 0 HD13 ILE A 826 9.473 -36.932 13.047 1.00 52.44 H new ATOM 571 N GLU A 827 4.597 -39.377 9.611 1.00 34.42 N ATOM 572 CA GLU A 827 3.594 -40.429 9.620 1.00 30.12 C ATOM 573 C GLU A 827 2.470 -40.082 10.598 1.00 34.22 C ATOM 574 O GLU A 827 1.819 -40.973 11.143 1.00 5.23 O ATOM 575 CB GLU A 827 4.221 -41.782 9.963 1.00 3.45 C ATOM 576 CG GLU A 827 5.539 -41.982 9.211 1.00 14.25 C ATOM 577 CD GLU A 827 5.285 -42.323 7.742 1.00 54.33 C ATOM 578 OE1 GLU A 827 5.535 -41.488 6.859 1.00 22.15 O ATOM 579 OE2 GLU A 827 4.810 -43.503 7.530 1.00 62.50 O ATOM 0 H GLU A 827 4.803 -38.992 8.689 1.00 34.42 H new ATOM 0 HA GLU A 827 3.168 -40.506 8.620 1.00 30.12 H new ATOM 0 HB2 GLU A 827 4.398 -41.843 11.037 1.00 3.45 H new ATOM 0 HB3 GLU A 827 3.527 -42.583 9.708 1.00 3.45 H new ATOM 0 HG2 GLU A 827 6.142 -41.076 9.279 1.00 14.25 H new ATOM 0 HG3 GLU A 827 6.112 -42.782 9.680 1.00 14.25 H new ATOM 587 N GLU A 828 2.275 -38.786 10.791 1.00 51.14 N ATOM 588 CA GLU A 828 1.240 -38.310 11.693 1.00 23.43 C ATOM 589 C GLU A 828 1.653 -38.549 13.147 1.00 24.40 C ATOM 590 O GLU A 828 0.848 -39.005 13.958 1.00 65.33 O ATOM 591 CB GLU A 828 -0.102 -38.977 11.388 1.00 35.02 C ATOM 592 CG GLU A 828 -0.365 -39.016 9.881 1.00 15.14 C ATOM 593 CD GLU A 828 -1.650 -39.787 9.569 1.00 43.32 C ATOM 594 OE1 GLU A 828 -1.771 -40.964 9.937 1.00 32.45 O ATOM 595 OE2 GLU A 828 -2.542 -39.119 8.919 1.00 1.10 O ATOM 0 H GLU A 828 2.817 -38.050 10.338 1.00 51.14 H new ATOM 0 HA GLU A 828 1.118 -37.238 11.541 1.00 23.43 H new ATOM 0 HB2 GLU A 828 -0.107 -39.991 11.788 1.00 35.02 H new ATOM 0 HB3 GLU A 828 -0.904 -38.433 11.887 1.00 35.02 H new ATOM 0 HG2 GLU A 828 -0.444 -38.000 9.495 1.00 15.14 H new ATOM 0 HG3 GLU A 828 0.478 -39.485 9.373 1.00 15.14 H new ATOM 603 N CYS A 829 2.907 -38.231 13.432 1.00 23.05 N ATOM 604 CA CYS A 829 3.437 -38.405 14.774 1.00 31.53 C ATOM 605 C CYS A 829 3.792 -37.026 15.334 1.00 72.43 C ATOM 606 O CYS A 829 3.541 -36.744 16.504 1.00 33.13 O ATOM 607 CB CYS A 829 4.637 -39.354 14.790 1.00 44.13 C ATOM 608 SG CYS A 829 4.779 -40.158 16.427 1.00 34.14 S ATOM 0 H CYS A 829 3.572 -37.854 12.757 1.00 23.05 H new ATOM 0 HA CYS A 829 2.682 -38.869 15.408 1.00 31.53 H new ATOM 0 HB2 CYS A 829 4.523 -40.110 14.013 1.00 44.13 H new ATOM 0 HB3 CYS A 829 5.550 -38.802 14.566 1.00 44.13 H new ATOM 0 HG CYS A 829 5.800 -40.963 16.428 1.00 34.14 H new ATOM 614 N HIS A 830 4.370 -36.204 14.471 1.00 64.11 N ATOM 615 CA HIS A 830 4.762 -34.861 14.864 1.00 24.43 C ATOM 616 C HIS A 830 4.413 -33.877 13.747 1.00 50.43 C ATOM 617 O HIS A 830 4.157 -34.282 12.614 1.00 24.50 O ATOM 618 CB HIS A 830 6.242 -34.819 15.251 1.00 40.20 C ATOM 619 CG HIS A 830 6.498 -35.027 16.725 1.00 71.14 C ATOM 620 ND1 HIS A 830 7.771 -35.101 17.261 1.00 4.23 N ATOM 621 CD2 HIS A 830 5.631 -35.175 17.767 1.00 23.35 C ATOM 622 CE1 HIS A 830 7.664 -35.286 18.569 1.00 62.22 C ATOM 623 NE2 HIS A 830 6.337 -35.333 18.880 1.00 1.34 N ATOM 0 H HIS A 830 4.576 -36.442 13.501 1.00 64.11 H new ATOM 0 HA HIS A 830 4.205 -34.561 15.752 1.00 24.43 H new ATOM 0 HB2 HIS A 830 6.776 -35.585 14.688 1.00 40.20 H new ATOM 0 HB3 HIS A 830 6.658 -33.857 14.953 1.00 40.20 H new ATOM 0 HD2 HIS A 830 4.553 -35.165 17.698 1.00 23.35 H new ATOM 0 HE1 HIS A 830 8.483 -35.383 19.266 1.00 62.22 H new ATOM 0 HE2 HIS A 830 5.950 -35.467 19.814 1.00 1.34 H new ATOM 631 N TYR A 831 4.413 -32.601 14.104 1.00 2.15 N ATOM 632 CA TYR A 831 4.099 -31.555 13.146 1.00 4.20 C ATOM 633 C TYR A 831 5.221 -30.516 13.082 1.00 54.32 C ATOM 634 O TYR A 831 5.327 -29.657 13.956 1.00 54.32 O ATOM 635 CB TYR A 831 2.825 -30.881 13.659 1.00 70.40 C ATOM 636 CG TYR A 831 1.812 -30.550 12.562 1.00 53.52 C ATOM 637 CD1 TYR A 831 2.229 -30.422 11.253 1.00 42.14 C ATOM 638 CD2 TYR A 831 0.480 -30.378 12.881 1.00 10.13 C ATOM 639 CE1 TYR A 831 1.275 -30.110 10.220 1.00 44.51 C ATOM 640 CE2 TYR A 831 -0.474 -30.065 11.849 1.00 62.54 C ATOM 641 CZ TYR A 831 -0.029 -29.947 10.569 1.00 41.31 C ATOM 642 OH TYR A 831 -0.930 -29.652 9.594 1.00 43.34 O ATOM 0 H TYR A 831 4.626 -32.268 15.044 1.00 2.15 H new ATOM 0 HA TYR A 831 3.977 -31.974 12.147 1.00 4.20 H new ATOM 0 HB2 TYR A 831 2.351 -31.533 14.392 1.00 70.40 H new ATOM 0 HB3 TYR A 831 3.096 -29.962 14.178 1.00 70.40 H new ATOM 0 HD1 TYR A 831 3.271 -30.556 11.003 1.00 42.14 H new ATOM 0 HD2 TYR A 831 0.153 -30.478 13.905 1.00 10.13 H new ATOM 0 HE1 TYR A 831 1.588 -30.008 9.192 1.00 44.51 H new ATOM 0 HE2 TYR A 831 -1.519 -29.927 12.086 1.00 62.54 H new ATOM 0 HH TYR A 831 -0.474 -29.618 8.727 1.00 43.34 H new ATOM 652 N THR A 832 6.029 -30.628 12.038 1.00 22.33 N ATOM 653 CA THR A 832 7.139 -29.709 11.849 1.00 74.24 C ATOM 654 C THR A 832 7.129 -29.149 10.425 1.00 2.41 C ATOM 655 O THR A 832 6.183 -29.373 9.672 1.00 11.20 O ATOM 656 CB THR A 832 8.431 -30.448 12.202 1.00 33.41 C ATOM 657 OG1 THR A 832 9.410 -29.417 12.281 1.00 44.32 O ATOM 658 CG2 THR A 832 8.923 -31.344 11.063 1.00 3.14 C ATOM 0 H THR A 832 5.937 -31.341 11.314 1.00 22.33 H new ATOM 0 HA THR A 832 7.053 -28.844 12.507 1.00 74.24 H new ATOM 0 HB THR A 832 8.271 -31.052 13.095 1.00 33.41 H new ATOM 0 HG1 THR A 832 10.279 -29.808 12.508 1.00 44.32 H new ATOM 0 HG21 THR A 832 9.842 -31.845 11.366 1.00 3.14 H new ATOM 0 HG22 THR A 832 8.162 -32.090 10.832 1.00 3.14 H new ATOM 0 HG23 THR A 832 9.115 -30.736 10.179 1.00 3.14 H new ATOM 666 N VAL A 833 8.194 -28.430 10.099 1.00 33.23 N ATOM 667 CA VAL A 833 8.320 -27.836 8.779 1.00 10.24 C ATOM 668 C VAL A 833 9.776 -27.930 8.320 1.00 43.23 C ATOM 669 O VAL A 833 10.691 -27.944 9.142 1.00 11.41 O ATOM 670 CB VAL A 833 7.791 -26.400 8.799 1.00 31.32 C ATOM 671 CG1 VAL A 833 7.743 -25.814 7.387 1.00 74.22 C ATOM 672 CG2 VAL A 833 6.417 -26.332 9.469 1.00 51.42 C ATOM 0 H VAL A 833 8.977 -28.246 10.726 1.00 33.23 H new ATOM 0 HA VAL A 833 7.715 -28.381 8.055 1.00 10.24 H new ATOM 0 HB VAL A 833 8.481 -25.796 9.388 1.00 31.32 H new ATOM 0 HG11 VAL A 833 7.364 -24.793 7.429 1.00 74.22 H new ATOM 0 HG12 VAL A 833 8.746 -25.811 6.960 1.00 74.22 H new ATOM 0 HG13 VAL A 833 7.085 -26.420 6.764 1.00 74.22 H new ATOM 0 HG21 VAL A 833 6.063 -25.301 9.470 1.00 51.42 H new ATOM 0 HG22 VAL A 833 5.713 -26.956 8.919 1.00 51.42 H new ATOM 0 HG23 VAL A 833 6.495 -26.690 10.496 1.00 51.42 H new ATOM 682 N LEU A 834 9.946 -27.992 7.007 1.00 22.12 N ATOM 683 CA LEU A 834 11.276 -28.084 6.428 1.00 33.52 C ATOM 684 C LEU A 834 11.692 -26.712 5.896 1.00 1.35 C ATOM 685 O LEU A 834 10.967 -25.732 6.062 1.00 41.12 O ATOM 686 CB LEU A 834 11.325 -29.193 5.375 1.00 65.01 C ATOM 687 CG LEU A 834 10.446 -30.416 5.646 1.00 44.32 C ATOM 688 CD1 LEU A 834 10.513 -31.407 4.482 1.00 35.04 C ATOM 689 CD2 LEU A 834 10.814 -31.071 6.979 1.00 50.23 C ATOM 0 H LEU A 834 9.185 -27.980 6.328 1.00 22.12 H new ATOM 0 HA LEU A 834 12.005 -28.365 7.188 1.00 33.52 H new ATOM 0 HB2 LEU A 834 11.035 -28.767 4.414 1.00 65.01 H new ATOM 0 HB3 LEU A 834 12.358 -29.527 5.276 1.00 65.01 H new ATOM 0 HG LEU A 834 9.411 -30.083 5.726 1.00 44.32 H new ATOM 0 HD11 LEU A 834 9.880 -32.267 4.699 1.00 35.04 H new ATOM 0 HD12 LEU A 834 10.165 -30.921 3.570 1.00 35.04 H new ATOM 0 HD13 LEU A 834 11.542 -31.739 4.346 1.00 35.04 H new ATOM 0 HD21 LEU A 834 10.175 -31.937 7.147 1.00 50.23 H new ATOM 0 HD22 LEU A 834 11.856 -31.389 6.953 1.00 50.23 H new ATOM 0 HD23 LEU A 834 10.674 -30.354 7.788 1.00 50.23 H new ATOM 701 N GLY A 835 12.859 -26.685 5.269 1.00 54.33 N ATOM 702 CA GLY A 835 13.380 -25.448 4.712 1.00 62.23 C ATOM 703 C GLY A 835 14.031 -24.589 5.798 1.00 63.23 C ATOM 704 O GLY A 835 13.483 -24.441 6.889 1.00 51.03 O ATOM 0 H GLY A 835 13.458 -27.499 5.134 1.00 54.33 H new ATOM 0 HA2 GLY A 835 14.111 -25.674 3.935 1.00 62.23 H new ATOM 0 HA3 GLY A 835 12.573 -24.890 4.237 1.00 62.23 H new ATOM 708 N ASP A 836 15.192 -24.046 5.461 1.00 53.30 N ATOM 709 CA ASP A 836 15.923 -23.205 6.394 1.00 63.52 C ATOM 710 C ASP A 836 15.139 -21.914 6.633 1.00 12.13 C ATOM 711 O ASP A 836 15.372 -21.215 7.618 1.00 22.23 O ATOM 712 CB ASP A 836 17.296 -22.828 5.835 1.00 44.13 C ATOM 713 CG ASP A 836 17.323 -22.526 4.335 1.00 2.41 C ATOM 714 OD1 ASP A 836 16.289 -22.586 3.653 1.00 44.50 O ATOM 715 OD2 ASP A 836 18.482 -22.213 3.863 1.00 62.34 O ATOM 0 H ASP A 836 15.644 -24.172 4.555 1.00 53.30 H new ATOM 0 HA ASP A 836 16.052 -23.763 7.321 1.00 63.52 H new ATOM 0 HB2 ASP A 836 17.663 -21.954 6.373 1.00 44.13 H new ATOM 0 HB3 ASP A 836 17.991 -23.643 6.039 1.00 44.13 H new ATOM 721 N ALA A 837 14.225 -21.636 5.716 1.00 53.35 N ATOM 722 CA ALA A 837 13.404 -20.440 5.814 1.00 24.44 C ATOM 723 C ALA A 837 12.567 -20.506 7.093 1.00 74.40 C ATOM 724 O ALA A 837 12.276 -19.478 7.702 1.00 34.45 O ATOM 725 CB ALA A 837 12.541 -20.308 4.558 1.00 4.11 C ATOM 0 H ALA A 837 14.034 -22.218 4.901 1.00 53.35 H new ATOM 0 HA ALA A 837 14.029 -19.549 5.874 1.00 24.44 H new ATOM 0 HB1 ALA A 837 11.926 -19.411 4.632 1.00 4.11 H new ATOM 0 HB2 ALA A 837 13.184 -20.236 3.681 1.00 4.11 H new ATOM 0 HB3 ALA A 837 11.898 -21.183 4.465 1.00 4.11 H new ATOM 731 N PHE A 838 12.202 -21.726 7.461 1.00 5.14 N ATOM 732 CA PHE A 838 11.404 -21.939 8.656 1.00 31.54 C ATOM 733 C PHE A 838 12.285 -21.963 9.907 1.00 35.14 C ATOM 734 O PHE A 838 11.808 -21.706 11.012 1.00 54.14 O ATOM 735 CB PHE A 838 10.722 -23.300 8.501 1.00 21.24 C ATOM 736 CG PHE A 838 10.271 -23.924 9.823 1.00 20.55 C ATOM 737 CD1 PHE A 838 9.422 -23.246 10.641 1.00 74.42 C ATOM 738 CD2 PHE A 838 10.720 -25.158 10.181 1.00 14.42 C ATOM 739 CE1 PHE A 838 9.003 -23.826 11.868 1.00 51.22 C ATOM 740 CE2 PHE A 838 10.301 -25.737 11.408 1.00 10.01 C ATOM 741 CZ PHE A 838 9.451 -25.059 12.226 1.00 45.15 C ATOM 0 H PHE A 838 12.444 -22.576 6.953 1.00 5.14 H new ATOM 0 HA PHE A 838 10.681 -21.131 8.769 1.00 31.54 H new ATOM 0 HB2 PHE A 838 9.855 -23.189 7.849 1.00 21.24 H new ATOM 0 HB3 PHE A 838 11.409 -23.985 8.004 1.00 21.24 H new ATOM 0 HD1 PHE A 838 9.066 -22.266 10.358 1.00 74.42 H new ATOM 0 HD2 PHE A 838 11.395 -25.697 9.532 1.00 14.42 H new ATOM 0 HE1 PHE A 838 8.328 -23.287 12.517 1.00 51.22 H new ATOM 0 HE2 PHE A 838 10.657 -26.716 11.692 1.00 10.01 H new ATOM 0 HZ PHE A 838 9.132 -25.500 13.159 1.00 45.15 H new ATOM 751 N LYS A 839 13.554 -22.274 9.692 1.00 23.25 N ATOM 752 CA LYS A 839 14.506 -22.335 10.789 1.00 50.11 C ATOM 753 C LYS A 839 14.660 -20.942 11.402 1.00 5.40 C ATOM 754 O LYS A 839 14.779 -20.805 12.619 1.00 40.44 O ATOM 755 CB LYS A 839 15.826 -22.950 10.319 1.00 11.03 C ATOM 756 CG LYS A 839 15.636 -24.414 9.918 1.00 23.31 C ATOM 757 CD LYS A 839 16.978 -25.068 9.581 1.00 73.34 C ATOM 758 CE LYS A 839 16.787 -26.248 8.625 1.00 44.54 C ATOM 759 NZ LYS A 839 18.015 -26.473 7.829 1.00 51.21 N ATOM 0 H LYS A 839 13.946 -22.487 8.775 1.00 23.25 H new ATOM 0 HA LYS A 839 14.138 -22.992 11.577 1.00 50.11 H new ATOM 0 HB2 LYS A 839 16.214 -22.384 9.472 1.00 11.03 H new ATOM 0 HB3 LYS A 839 16.568 -22.880 11.115 1.00 11.03 H new ATOM 0 HG2 LYS A 839 15.156 -24.958 10.731 1.00 23.31 H new ATOM 0 HG3 LYS A 839 14.971 -24.476 9.057 1.00 23.31 H new ATOM 0 HD2 LYS A 839 17.642 -24.332 9.128 1.00 73.34 H new ATOM 0 HD3 LYS A 839 17.460 -25.411 10.497 1.00 73.34 H new ATOM 0 HE2 LYS A 839 16.544 -27.147 9.191 1.00 44.54 H new ATOM 0 HE3 LYS A 839 15.946 -26.053 7.960 1.00 44.54 H new ATOM 0 HZ1 LYS A 839 17.970 -27.410 7.379 1.00 51.21 H new ATOM 0 HZ2 LYS A 839 18.092 -25.740 7.095 1.00 51.21 H new ATOM 0 HZ3 LYS A 839 18.846 -26.428 8.453 1.00 51.21 H new ATOM 772 N GLU A 840 14.654 -19.943 10.531 1.00 1.14 N ATOM 773 CA GLU A 840 14.792 -18.565 10.972 1.00 61.20 C ATOM 774 C GLU A 840 13.434 -18.007 11.404 1.00 63.45 C ATOM 775 O GLU A 840 13.357 -16.912 11.958 1.00 21.33 O ATOM 776 CB GLU A 840 15.417 -17.699 9.877 1.00 64.35 C ATOM 777 CG GLU A 840 14.522 -17.651 8.637 1.00 35.32 C ATOM 778 CD GLU A 840 14.685 -16.324 7.894 1.00 72.14 C ATOM 779 OE1 GLU A 840 14.133 -15.300 8.324 1.00 23.42 O ATOM 780 OE2 GLU A 840 15.416 -16.380 6.833 1.00 64.04 O ATOM 0 H GLU A 840 14.556 -20.060 9.523 1.00 1.14 H new ATOM 0 HA GLU A 840 15.461 -18.545 11.832 1.00 61.20 H new ATOM 0 HB2 GLU A 840 15.576 -16.689 10.254 1.00 64.35 H new ATOM 0 HB3 GLU A 840 16.396 -18.097 9.608 1.00 64.35 H new ATOM 0 HG2 GLU A 840 14.772 -18.477 7.972 1.00 35.32 H new ATOM 0 HG3 GLU A 840 13.480 -17.782 8.931 1.00 35.32 H new ATOM 788 N CYS A 841 12.397 -18.786 11.133 1.00 63.15 N ATOM 789 CA CYS A 841 11.047 -18.384 11.486 1.00 54.41 C ATOM 790 C CYS A 841 10.859 -18.599 12.989 1.00 0.40 C ATOM 791 O CYS A 841 10.022 -17.948 13.613 1.00 4.31 O ATOM 792 CB CYS A 841 9.999 -19.139 10.666 1.00 15.12 C ATOM 793 SG CYS A 841 9.873 -18.414 8.990 1.00 23.25 S ATOM 0 H CYS A 841 12.465 -19.694 10.673 1.00 63.15 H new ATOM 0 HA CYS A 841 10.906 -17.329 11.250 1.00 54.41 H new ATOM 0 HB2 CYS A 841 10.270 -20.192 10.596 1.00 15.12 H new ATOM 0 HB3 CYS A 841 9.031 -19.091 11.165 1.00 15.12 H new ATOM 0 HG CYS A 841 10.658 -19.058 8.178 1.00 23.25 H new ATOM 799 N PHE A 842 11.651 -19.514 13.527 1.00 45.00 N ATOM 800 CA PHE A 842 11.583 -19.823 14.945 1.00 2.12 C ATOM 801 C PHE A 842 12.970 -19.754 15.589 1.00 73.44 C ATOM 802 O PHE A 842 13.926 -19.296 14.965 1.00 74.23 O ATOM 803 CB PHE A 842 11.048 -21.251 15.067 1.00 54.24 C ATOM 804 CG PHE A 842 12.139 -22.319 15.162 1.00 2.20 C ATOM 805 CD1 PHE A 842 12.792 -22.726 14.041 1.00 40.14 C ATOM 806 CD2 PHE A 842 12.457 -22.861 16.368 1.00 15.13 C ATOM 807 CE1 PHE A 842 13.805 -23.717 14.129 1.00 21.02 C ATOM 808 CE2 PHE A 842 13.470 -23.852 16.457 1.00 55.11 C ATOM 809 CZ PHE A 842 14.122 -24.259 15.336 1.00 65.15 C ATOM 0 H PHE A 842 12.344 -20.052 13.006 1.00 45.00 H new ATOM 0 HA PHE A 842 10.940 -19.103 15.452 1.00 2.12 H new ATOM 0 HB2 PHE A 842 10.413 -21.316 15.950 1.00 54.24 H new ATOM 0 HB3 PHE A 842 10.417 -21.466 14.205 1.00 54.24 H new ATOM 0 HD1 PHE A 842 12.540 -22.295 13.083 1.00 40.14 H new ATOM 0 HD2 PHE A 842 11.939 -22.537 17.259 1.00 15.13 H new ATOM 0 HE1 PHE A 842 14.324 -24.040 13.238 1.00 21.02 H new ATOM 0 HE2 PHE A 842 13.722 -24.282 17.415 1.00 55.11 H new ATOM 0 HZ PHE A 842 14.892 -25.013 15.403 1.00 65.15 H new ATOM 819 N VAL A 843 13.035 -20.217 16.828 1.00 0.25 N ATOM 820 CA VAL A 843 14.289 -20.214 17.563 1.00 14.23 C ATOM 821 C VAL A 843 14.274 -21.346 18.592 1.00 64.30 C ATOM 822 O VAL A 843 13.214 -21.873 18.926 1.00 2.35 O ATOM 823 CB VAL A 843 14.524 -18.839 18.191 1.00 12.43 C ATOM 824 CG1 VAL A 843 14.308 -17.724 17.166 1.00 11.41 C ATOM 825 CG2 VAL A 843 13.632 -18.636 19.418 1.00 72.23 C ATOM 0 H VAL A 843 12.240 -20.597 17.342 1.00 0.25 H new ATOM 0 HA VAL A 843 15.127 -20.397 16.890 1.00 14.23 H new ATOM 0 HB VAL A 843 15.562 -18.795 18.521 1.00 12.43 H new ATOM 0 HG11 VAL A 843 14.481 -16.757 17.638 1.00 11.41 H new ATOM 0 HG12 VAL A 843 15.003 -17.853 16.337 1.00 11.41 H new ATOM 0 HG13 VAL A 843 13.285 -17.767 16.792 1.00 11.41 H new ATOM 0 HG21 VAL A 843 13.819 -17.651 19.845 1.00 72.23 H new ATOM 0 HG22 VAL A 843 12.585 -18.711 19.123 1.00 72.23 H new ATOM 0 HG23 VAL A 843 13.855 -19.402 20.161 1.00 72.23 H new ATOM 835 N SER A 844 15.464 -21.688 19.065 1.00 11.21 N ATOM 836 CA SER A 844 15.602 -22.748 20.049 1.00 73.21 C ATOM 837 C SER A 844 16.628 -22.347 21.110 1.00 21.13 C ATOM 838 O SER A 844 17.760 -21.994 20.783 1.00 52.15 O ATOM 839 CB SER A 844 16.011 -24.065 19.386 1.00 52.11 C ATOM 840 OG SER A 844 17.418 -24.142 19.175 1.00 40.33 O ATOM 0 H SER A 844 16.341 -21.249 18.785 1.00 11.21 H new ATOM 0 HA SER A 844 14.634 -22.898 20.527 1.00 73.21 H new ATOM 0 HB2 SER A 844 15.692 -24.900 20.010 1.00 52.11 H new ATOM 0 HB3 SER A 844 15.495 -24.166 18.431 1.00 52.11 H new ATOM 0 HG SER A 844 17.854 -23.371 19.594 1.00 40.33 H new ATOM 846 N ARG A 845 16.196 -22.415 22.361 1.00 51.01 N ATOM 847 CA ARG A 845 17.063 -22.063 23.473 1.00 61.34 C ATOM 848 C ARG A 845 17.331 -23.291 24.346 1.00 40.22 C ATOM 849 O ARG A 845 16.482 -24.173 24.460 1.00 72.22 O ATOM 850 CB ARG A 845 16.438 -20.962 24.331 1.00 5.32 C ATOM 851 CG ARG A 845 15.557 -20.040 23.485 1.00 25.31 C ATOM 852 CD ARG A 845 16.367 -19.386 22.364 1.00 51.52 C ATOM 853 NE ARG A 845 17.061 -18.183 22.876 1.00 24.45 N ATOM 854 CZ ARG A 845 16.451 -17.005 23.124 1.00 44.20 C ATOM 855 NH1 ARG A 845 15.127 -16.860 22.907 1.00 32.03 N ATOM 856 NH2 ARG A 845 17.170 -15.996 23.581 1.00 53.11 N ATOM 0 H ARG A 845 15.257 -22.709 22.629 1.00 51.01 H new ATOM 0 HA ARG A 845 18.002 -21.696 23.059 1.00 61.34 H new ATOM 0 HB2 ARG A 845 15.843 -21.410 25.127 1.00 5.32 H new ATOM 0 HB3 ARG A 845 17.225 -20.380 24.811 1.00 5.32 H new ATOM 0 HG2 ARG A 845 14.732 -20.610 23.058 1.00 25.31 H new ATOM 0 HG3 ARG A 845 15.117 -19.269 24.118 1.00 25.31 H new ATOM 0 HD2 ARG A 845 17.095 -20.095 21.969 1.00 51.52 H new ATOM 0 HD3 ARG A 845 15.708 -19.113 21.540 1.00 51.52 H new ATOM 0 HE ARG A 845 18.063 -18.248 23.053 1.00 24.45 H new ATOM 0 HH11 ARG A 845 14.579 -17.644 22.553 1.00 32.03 H new ATOM 0 HH12 ARG A 845 14.674 -15.966 23.097 1.00 32.03 H new ATOM 0 HH21 ARG A 845 18.170 -16.114 23.741 1.00 53.11 H new ATOM 0 HH22 ARG A 845 16.725 -15.099 23.774 1.00 53.11 H new ATOM 869 N PRO A 846 18.547 -23.308 24.956 1.00 75.14 N ATOM 870 CA PRO A 846 18.937 -24.413 25.815 1.00 51.30 C ATOM 871 C PRO A 846 18.222 -24.336 27.165 1.00 31.05 C ATOM 872 O PRO A 846 18.118 -23.263 27.757 1.00 5.41 O ATOM 873 CB PRO A 846 20.448 -24.302 25.936 1.00 60.12 C ATOM 874 CG PRO A 846 20.796 -22.880 25.526 1.00 30.20 C ATOM 875 CD PRO A 846 19.578 -22.280 24.844 1.00 75.55 C ATOM 0 HA PRO A 846 18.653 -25.383 25.408 1.00 51.30 H new ATOM 0 HB2 PRO A 846 20.774 -24.505 26.956 1.00 60.12 H new ATOM 0 HB3 PRO A 846 20.946 -25.027 25.292 1.00 60.12 H new ATOM 0 HG2 PRO A 846 21.075 -22.289 26.398 1.00 30.20 H new ATOM 0 HG3 PRO A 846 21.652 -22.876 24.851 1.00 30.20 H new ATOM 0 HD2 PRO A 846 19.268 -21.354 25.329 1.00 75.55 H new ATOM 0 HD3 PRO A 846 19.786 -22.040 23.801 1.00 75.55 H new ATOM 883 N HIS A 847 17.747 -25.489 27.614 1.00 50.22 N ATOM 884 CA HIS A 847 17.045 -25.566 28.884 1.00 52.14 C ATOM 885 C HIS A 847 17.009 -27.018 29.363 1.00 72.42 C ATOM 886 O HIS A 847 17.084 -27.944 28.556 1.00 31.14 O ATOM 887 CB HIS A 847 15.652 -24.943 28.772 1.00 34.55 C ATOM 888 CG HIS A 847 15.658 -23.437 28.670 1.00 4.22 C ATOM 889 ND1 HIS A 847 15.134 -22.757 27.585 1.00 51.30 N ATOM 890 CD2 HIS A 847 16.130 -22.487 29.528 1.00 21.44 C ATOM 891 CE1 HIS A 847 15.289 -21.457 27.791 1.00 62.20 C ATOM 892 NE2 HIS A 847 15.907 -21.292 28.996 1.00 62.33 N ATOM 0 H HIS A 847 17.835 -26.377 27.121 1.00 50.22 H new ATOM 0 HA HIS A 847 17.580 -24.986 29.636 1.00 52.14 H new ATOM 0 HB2 HIS A 847 15.151 -25.354 27.896 1.00 34.55 H new ATOM 0 HB3 HIS A 847 15.064 -25.235 29.642 1.00 34.55 H new ATOM 0 HD2 HIS A 847 16.605 -22.676 30.479 1.00 21.44 H new ATOM 0 HE1 HIS A 847 14.980 -20.667 27.122 1.00 62.20 H new ATOM 0 HE2 HIS A 847 16.156 -20.398 29.418 1.00 62.33 H new ATOM 900 N PRO A 848 16.891 -27.177 30.708 1.00 11.24 N ATOM 901 CA PRO A 848 16.844 -28.501 31.305 1.00 40.21 C ATOM 902 C PRO A 848 15.482 -29.159 31.073 1.00 3.22 C ATOM 903 O PRO A 848 14.681 -28.672 30.277 1.00 41.01 O ATOM 904 CB PRO A 848 17.155 -28.281 32.776 1.00 12.44 C ATOM 905 CG PRO A 848 16.906 -26.804 33.039 1.00 72.25 C ATOM 906 CD PRO A 848 16.799 -26.103 31.694 1.00 63.51 C ATOM 0 HA PRO A 848 17.562 -29.189 30.859 1.00 40.21 H new ATOM 0 HB2 PRO A 848 16.519 -28.902 33.407 1.00 12.44 H new ATOM 0 HB3 PRO A 848 18.187 -28.549 33.001 1.00 12.44 H new ATOM 0 HG2 PRO A 848 15.990 -26.668 33.614 1.00 72.25 H new ATOM 0 HG3 PRO A 848 17.719 -26.379 33.628 1.00 72.25 H new ATOM 0 HD2 PRO A 848 15.857 -25.562 31.603 1.00 63.51 H new ATOM 0 HD3 PRO A 848 17.599 -25.375 31.562 1.00 63.51 H new ATOM 914 N LYS A 849 15.262 -30.255 31.784 1.00 60.12 N ATOM 915 CA LYS A 849 14.011 -30.985 31.666 1.00 50.33 C ATOM 916 C LYS A 849 13.360 -31.098 33.045 1.00 15.15 C ATOM 917 O LYS A 849 13.837 -31.840 33.902 1.00 33.32 O ATOM 918 CB LYS A 849 14.240 -32.334 30.981 1.00 0.22 C ATOM 919 CG LYS A 849 12.914 -33.055 30.733 1.00 55.32 C ATOM 920 CD LYS A 849 13.148 -34.448 30.147 1.00 64.42 C ATOM 921 CE LYS A 849 13.441 -35.465 31.252 1.00 65.43 C ATOM 922 NZ LYS A 849 13.211 -36.843 30.762 1.00 22.14 N ATOM 0 H LYS A 849 15.929 -30.655 32.444 1.00 60.12 H new ATOM 0 HA LYS A 849 13.313 -30.444 31.027 1.00 50.33 H new ATOM 0 HB2 LYS A 849 14.758 -32.182 30.034 1.00 0.22 H new ATOM 0 HB3 LYS A 849 14.886 -32.956 31.601 1.00 0.22 H new ATOM 0 HG2 LYS A 849 12.361 -33.139 31.669 1.00 55.32 H new ATOM 0 HG3 LYS A 849 12.299 -32.468 30.051 1.00 55.32 H new ATOM 0 HD2 LYS A 849 12.270 -34.761 29.583 1.00 64.42 H new ATOM 0 HD3 LYS A 849 13.982 -34.416 29.446 1.00 64.42 H new ATOM 0 HE2 LYS A 849 14.473 -35.359 31.587 1.00 65.43 H new ATOM 0 HE3 LYS A 849 12.804 -35.268 32.114 1.00 65.43 H new ATOM 0 HZ1 LYS A 849 13.414 -37.521 31.524 1.00 22.14 H new ATOM 0 HZ2 LYS A 849 12.220 -36.944 30.464 1.00 22.14 H new ATOM 0 HZ3 LYS A 849 13.837 -37.033 29.954 1.00 22.14 H new ATOM 935 N PRO A 850 12.251 -30.331 33.222 1.00 14.32 N ATOM 936 CA PRO A 850 11.529 -30.338 34.483 1.00 12.21 C ATOM 937 C PRO A 850 10.709 -31.620 34.638 1.00 34.13 C ATOM 938 O PRO A 850 11.002 -32.448 35.499 1.00 33.32 O ATOM 939 CB PRO A 850 10.670 -29.084 34.452 1.00 5.32 C ATOM 940 CG PRO A 850 10.591 -28.669 32.992 1.00 71.01 C ATOM 941 CD PRO A 850 11.657 -29.439 32.230 1.00 72.41 C ATOM 0 HA PRO A 850 12.193 -30.329 35.348 1.00 12.21 H new ATOM 0 HB2 PRO A 850 9.677 -29.281 34.856 1.00 5.32 H new ATOM 0 HB3 PRO A 850 11.111 -28.294 35.059 1.00 5.32 H new ATOM 0 HG2 PRO A 850 9.602 -28.884 32.587 1.00 71.01 H new ATOM 0 HG3 PRO A 850 10.750 -27.595 32.891 1.00 71.01 H new ATOM 0 HD2 PRO A 850 11.224 -30.000 31.402 1.00 72.41 H new ATOM 0 HD3 PRO A 850 12.403 -28.767 31.805 1.00 72.41 H new ATOM 949 N LYS A 851 9.697 -31.744 33.791 1.00 4.23 N ATOM 950 CA LYS A 851 8.833 -32.911 33.823 1.00 31.34 C ATOM 951 C LYS A 851 9.542 -34.084 33.144 1.00 71.45 C ATOM 952 O LYS A 851 10.158 -33.917 32.092 1.00 75.11 O ATOM 953 CB LYS A 851 7.467 -32.583 33.217 1.00 30.40 C ATOM 954 CG LYS A 851 7.615 -32.038 31.795 1.00 10.53 C ATOM 955 CD LYS A 851 6.294 -32.138 31.029 1.00 24.22 C ATOM 956 CE LYS A 851 5.395 -30.937 31.327 1.00 34.34 C ATOM 957 NZ LYS A 851 5.973 -29.701 30.754 1.00 31.42 N ATOM 0 H LYS A 851 9.457 -31.055 33.078 1.00 4.23 H new ATOM 0 HA LYS A 851 8.635 -33.211 34.852 1.00 31.34 H new ATOM 0 HB2 LYS A 851 6.846 -33.479 33.204 1.00 30.40 H new ATOM 0 HB3 LYS A 851 6.955 -31.849 33.840 1.00 30.40 H new ATOM 0 HG2 LYS A 851 7.940 -30.998 31.832 1.00 10.53 H new ATOM 0 HG3 LYS A 851 8.389 -32.595 31.267 1.00 10.53 H new ATOM 0 HD2 LYS A 851 6.493 -32.191 29.959 1.00 24.22 H new ATOM 0 HD3 LYS A 851 5.779 -33.059 31.303 1.00 24.22 H new ATOM 0 HE2 LYS A 851 4.402 -31.107 30.912 1.00 34.34 H new ATOM 0 HE3 LYS A 851 5.275 -30.824 32.404 1.00 34.34 H new ATOM 0 HZ1 LYS A 851 5.217 -29.005 30.596 1.00 31.42 H new ATOM 0 HZ2 LYS A 851 6.674 -29.307 31.414 1.00 31.42 H new ATOM 0 HZ3 LYS A 851 6.435 -29.921 29.849 1.00 31.42 H new ATOM 970 N GLN A 852 9.432 -35.246 33.772 1.00 54.50 N ATOM 971 CA GLN A 852 10.054 -36.446 33.241 1.00 65.11 C ATOM 972 C GLN A 852 8.988 -37.479 32.873 1.00 34.32 C ATOM 973 O GLN A 852 9.268 -38.676 32.825 1.00 40.02 O ATOM 974 CB GLN A 852 11.061 -37.027 34.236 1.00 60.54 C ATOM 975 CG GLN A 852 10.405 -37.281 35.594 1.00 20.53 C ATOM 976 CD GLN A 852 11.213 -38.291 36.413 1.00 55.11 C ATOM 977 OE1 GLN A 852 12.432 -38.318 36.385 1.00 70.01 O ATOM 978 NE2 GLN A 852 10.467 -39.117 37.141 1.00 12.35 N ATOM 0 H GLN A 852 8.921 -35.381 34.644 1.00 54.50 H new ATOM 0 HA GLN A 852 10.600 -36.179 32.336 1.00 65.11 H new ATOM 0 HB2 GLN A 852 11.468 -37.959 33.845 1.00 60.54 H new ATOM 0 HB3 GLN A 852 11.898 -36.339 34.355 1.00 60.54 H new ATOM 0 HG2 GLN A 852 10.324 -36.343 36.144 1.00 20.53 H new ATOM 0 HG3 GLN A 852 9.391 -37.654 35.448 1.00 20.53 H new ATOM 0 HE21 GLN A 852 9.450 -39.040 37.118 1.00 12.35 H new ATOM 0 HE22 GLN A 852 10.912 -39.828 37.722 1.00 12.35 H new ATOM 987 N PHE A 853 7.786 -36.979 32.623 1.00 24.45 N ATOM 988 CA PHE A 853 6.676 -37.844 32.262 1.00 62.24 C ATOM 989 C PHE A 853 5.978 -37.340 30.997 1.00 63.43 C ATOM 990 O PHE A 853 5.221 -36.372 31.045 1.00 61.31 O ATOM 991 CB PHE A 853 5.684 -37.809 33.426 1.00 50.04 C ATOM 992 CG PHE A 853 5.614 -36.459 34.143 1.00 73.23 C ATOM 993 CD1 PHE A 853 6.614 -36.083 34.984 1.00 34.45 C ATOM 994 CD2 PHE A 853 4.551 -35.635 33.938 1.00 22.12 C ATOM 995 CE1 PHE A 853 6.548 -34.831 35.650 1.00 44.32 C ATOM 996 CE2 PHE A 853 4.486 -34.382 34.604 1.00 60.44 C ATOM 997 CZ PHE A 853 5.486 -34.007 35.445 1.00 11.43 C ATOM 0 H PHE A 853 7.557 -35.986 32.663 1.00 24.45 H new ATOM 0 HA PHE A 853 7.039 -38.853 32.067 1.00 62.24 H new ATOM 0 HB2 PHE A 853 4.692 -38.062 33.052 1.00 50.04 H new ATOM 0 HB3 PHE A 853 5.959 -38.578 34.148 1.00 50.04 H new ATOM 0 HD1 PHE A 853 7.458 -36.737 35.145 1.00 34.45 H new ATOM 0 HD2 PHE A 853 3.757 -35.933 33.269 1.00 22.12 H new ATOM 0 HE1 PHE A 853 7.341 -34.533 36.320 1.00 44.32 H new ATOM 0 HE2 PHE A 853 3.642 -33.727 34.442 1.00 60.44 H new ATOM 0 HZ PHE A 853 5.437 -33.054 35.951 1.00 11.43 H new ATOM 1007 N SER A 854 6.258 -38.020 29.894 1.00 2.03 N ATOM 1008 CA SER A 854 5.667 -37.653 28.619 1.00 72.43 C ATOM 1009 C SER A 854 6.088 -38.654 27.540 1.00 14.31 C ATOM 1010 O SER A 854 7.002 -39.449 27.749 1.00 21.31 O ATOM 1011 CB SER A 854 6.069 -36.234 28.213 1.00 62.34 C ATOM 1012 OG SER A 854 5.184 -35.686 27.239 1.00 65.50 O ATOM 0 H SER A 854 6.886 -38.823 29.858 1.00 2.03 H new ATOM 0 HA SER A 854 4.582 -37.677 28.725 1.00 72.43 H new ATOM 0 HB2 SER A 854 6.079 -35.594 29.095 1.00 62.34 H new ATOM 0 HB3 SER A 854 7.084 -36.244 27.816 1.00 62.34 H new ATOM 0 HG SER A 854 5.474 -34.779 27.007 1.00 65.50 H new ATOM 1018 N SER A 855 5.400 -38.581 26.410 1.00 40.41 N ATOM 1019 CA SER A 855 5.691 -39.470 25.298 1.00 10.21 C ATOM 1020 C SER A 855 7.146 -39.299 24.858 1.00 4.24 C ATOM 1021 O SER A 855 7.988 -40.150 25.141 1.00 3.24 O ATOM 1022 CB SER A 855 4.747 -39.209 24.123 1.00 42.34 C ATOM 1023 OG SER A 855 3.397 -39.536 24.439 1.00 31.21 O ATOM 0 H SER A 855 4.642 -37.920 26.241 1.00 40.41 H new ATOM 0 HA SER A 855 5.537 -40.496 25.631 1.00 10.21 H new ATOM 0 HB2 SER A 855 4.808 -38.159 23.836 1.00 42.34 H new ATOM 0 HB3 SER A 855 5.070 -39.794 23.262 1.00 42.34 H new ATOM 0 HG SER A 855 2.826 -39.354 23.664 1.00 31.21 H new ATOM 1029 N PHE A 856 7.398 -38.193 24.173 1.00 2.05 N ATOM 1030 CA PHE A 856 8.737 -37.899 23.692 1.00 63.42 C ATOM 1031 C PHE A 856 9.584 -37.250 24.788 1.00 22.12 C ATOM 1032 O PHE A 856 9.128 -37.096 25.920 1.00 5.22 O ATOM 1033 CB PHE A 856 8.589 -36.916 22.529 1.00 32.30 C ATOM 1034 CG PHE A 856 8.245 -37.579 21.194 1.00 63.44 C ATOM 1035 CD1 PHE A 856 7.082 -38.271 21.057 1.00 1.20 C ATOM 1036 CD2 PHE A 856 9.103 -37.477 20.143 1.00 21.52 C ATOM 1037 CE1 PHE A 856 6.763 -38.886 19.818 1.00 63.33 C ATOM 1038 CE2 PHE A 856 8.784 -38.093 18.904 1.00 43.02 C ATOM 1039 CZ PHE A 856 7.621 -38.784 18.767 1.00 21.43 C ATOM 0 H PHE A 856 6.697 -37.490 23.940 1.00 2.05 H new ATOM 0 HA PHE A 856 9.232 -38.820 23.386 1.00 63.42 H new ATOM 0 HB2 PHE A 856 7.811 -36.193 22.775 1.00 32.30 H new ATOM 0 HB3 PHE A 856 9.519 -36.359 22.417 1.00 32.30 H new ATOM 0 HD1 PHE A 856 6.401 -38.353 21.891 1.00 1.20 H new ATOM 0 HD2 PHE A 856 10.027 -36.928 20.251 1.00 21.52 H new ATOM 0 HE1 PHE A 856 5.839 -39.435 19.710 1.00 63.33 H new ATOM 0 HE2 PHE A 856 9.465 -38.013 18.070 1.00 43.02 H new ATOM 0 HZ PHE A 856 7.378 -39.252 17.824 1.00 21.43 H new ATOM 1049 N GLU A 857 10.802 -36.887 24.414 1.00 62.03 N ATOM 1050 CA GLU A 857 11.717 -36.258 25.351 1.00 10.20 C ATOM 1051 C GLU A 857 12.118 -34.869 24.850 1.00 13.33 C ATOM 1052 O GLU A 857 12.656 -34.732 23.753 1.00 60.02 O ATOM 1053 CB GLU A 857 12.950 -37.133 25.585 1.00 11.01 C ATOM 1054 CG GLU A 857 13.389 -37.819 24.290 1.00 43.10 C ATOM 1055 CD GLU A 857 14.876 -38.178 24.337 1.00 40.53 C ATOM 1056 OE1 GLU A 857 15.663 -37.475 24.988 1.00 20.15 O ATOM 1057 OE2 GLU A 857 15.205 -39.229 23.665 1.00 14.13 O ATOM 0 H GLU A 857 11.177 -37.017 23.474 1.00 62.03 H new ATOM 0 HA GLU A 857 11.206 -36.145 26.307 1.00 10.20 H new ATOM 0 HB2 GLU A 857 13.766 -36.522 25.972 1.00 11.01 H new ATOM 0 HB3 GLU A 857 12.728 -37.885 26.342 1.00 11.01 H new ATOM 0 HG2 GLU A 857 12.798 -38.721 24.134 1.00 43.10 H new ATOM 0 HG3 GLU A 857 13.197 -37.161 23.442 1.00 43.10 H new ATOM 1065 N LYS A 858 11.840 -33.873 25.679 1.00 33.10 N ATOM 1066 CA LYS A 858 12.165 -32.499 25.334 1.00 35.41 C ATOM 1067 C LYS A 858 13.305 -32.010 26.228 1.00 5.22 C ATOM 1068 O LYS A 858 13.264 -32.185 27.445 1.00 43.00 O ATOM 1069 CB LYS A 858 10.913 -31.621 25.397 1.00 4.02 C ATOM 1070 CG LYS A 858 10.689 -31.088 26.814 1.00 53.13 C ATOM 1071 CD LYS A 858 11.396 -29.746 27.013 1.00 55.41 C ATOM 1072 CE LYS A 858 11.728 -29.515 28.488 1.00 12.33 C ATOM 1073 NZ LYS A 858 10.557 -28.957 29.202 1.00 45.50 N ATOM 0 H LYS A 858 11.393 -33.990 26.589 1.00 33.10 H new ATOM 0 HA LYS A 858 12.518 -32.437 24.305 1.00 35.41 H new ATOM 0 HB2 LYS A 858 11.014 -30.787 24.702 1.00 4.02 H new ATOM 0 HB3 LYS A 858 10.044 -32.197 25.079 1.00 4.02 H new ATOM 0 HG2 LYS A 858 9.621 -30.971 26.998 1.00 53.13 H new ATOM 0 HG3 LYS A 858 11.061 -31.810 27.541 1.00 53.13 H new ATOM 0 HD2 LYS A 858 12.312 -29.722 26.422 1.00 55.41 H new ATOM 0 HD3 LYS A 858 10.761 -28.939 26.649 1.00 55.41 H new ATOM 0 HE2 LYS A 858 12.029 -30.455 28.951 1.00 12.33 H new ATOM 0 HE3 LYS A 858 12.573 -28.832 28.574 1.00 12.33 H new ATOM 0 HZ1 LYS A 858 10.882 -28.315 29.953 1.00 45.50 H new ATOM 0 HZ2 LYS A 858 9.960 -28.432 28.532 1.00 45.50 H new ATOM 0 HZ3 LYS A 858 10.006 -29.732 29.623 1.00 45.50 H new ATOM 1086 N ARG A 859 14.297 -31.406 25.590 1.00 1.31 N ATOM 1087 CA ARG A 859 15.447 -30.890 26.312 1.00 4.54 C ATOM 1088 C ARG A 859 15.757 -29.460 25.865 1.00 42.41 C ATOM 1089 O ARG A 859 16.880 -28.984 26.028 1.00 52.12 O ATOM 1090 CB ARG A 859 16.680 -31.766 26.084 1.00 61.50 C ATOM 1091 CG ARG A 859 17.712 -31.563 27.196 1.00 55.24 C ATOM 1092 CD ARG A 859 19.103 -32.006 26.740 1.00 44.30 C ATOM 1093 NE ARG A 859 19.563 -31.156 25.619 1.00 60.12 N ATOM 1094 CZ ARG A 859 20.016 -29.892 25.763 1.00 72.42 C ATOM 1095 NH1 ARG A 859 20.073 -29.320 26.984 1.00 24.43 N ATOM 1096 NH2 ARG A 859 20.401 -29.225 24.691 1.00 2.45 N ATOM 0 H ARG A 859 14.328 -31.263 24.581 1.00 1.31 H new ATOM 0 HA ARG A 859 15.201 -30.898 27.374 1.00 4.54 H new ATOM 0 HB2 ARG A 859 16.383 -32.814 26.046 1.00 61.50 H new ATOM 0 HB3 ARG A 859 17.128 -31.526 25.120 1.00 61.50 H new ATOM 0 HG2 ARG A 859 17.738 -30.513 27.486 1.00 55.24 H new ATOM 0 HG3 ARG A 859 17.417 -32.130 28.079 1.00 55.24 H new ATOM 0 HD2 ARG A 859 19.806 -31.938 27.571 1.00 44.30 H new ATOM 0 HD3 ARG A 859 19.077 -33.050 26.429 1.00 44.30 H new ATOM 0 HE ARG A 859 19.536 -31.550 24.678 1.00 60.12 H new ATOM 0 HH11 ARG A 859 19.773 -29.843 27.807 1.00 24.43 H new ATOM 0 HH12 ARG A 859 20.416 -28.365 27.084 1.00 24.43 H new ATOM 0 HH21 ARG A 859 20.354 -29.665 23.772 1.00 2.45 H new ATOM 0 HH22 ARG A 859 20.746 -28.269 24.782 1.00 2.45 H new ATOM 1109 N ALA A 860 14.742 -28.814 25.310 1.00 60.23 N ATOM 1110 CA ALA A 860 14.892 -27.448 24.838 1.00 71.24 C ATOM 1111 C ALA A 860 13.517 -26.887 24.469 1.00 42.11 C ATOM 1112 O ALA A 860 12.637 -27.627 24.034 1.00 35.52 O ATOM 1113 CB ALA A 860 15.868 -27.419 23.660 1.00 24.21 C ATOM 0 H ALA A 860 13.812 -29.212 25.177 1.00 60.23 H new ATOM 0 HA ALA A 860 15.308 -26.815 25.622 1.00 71.24 H new ATOM 0 HB1 ALA A 860 15.981 -26.394 23.306 1.00 24.21 H new ATOM 0 HB2 ALA A 860 16.837 -27.800 23.981 1.00 24.21 H new ATOM 0 HB3 ALA A 860 15.482 -28.042 22.853 1.00 24.21 H new ATOM 1119 N LYS A 861 13.376 -25.583 24.656 1.00 3.12 N ATOM 1120 CA LYS A 861 12.124 -24.914 24.349 1.00 53.33 C ATOM 1121 C LYS A 861 12.311 -24.034 23.111 1.00 73.33 C ATOM 1122 O LYS A 861 13.242 -23.233 23.049 1.00 61.31 O ATOM 1123 CB LYS A 861 11.609 -24.152 25.572 1.00 73.32 C ATOM 1124 CG LYS A 861 10.751 -25.056 26.459 1.00 31.44 C ATOM 1125 CD LYS A 861 11.617 -25.821 27.462 1.00 32.25 C ATOM 1126 CE LYS A 861 11.845 -24.996 28.731 1.00 75.41 C ATOM 1127 NZ LYS A 861 12.381 -25.850 29.814 1.00 4.35 N ATOM 0 H LYS A 861 14.109 -24.972 25.017 1.00 3.12 H new ATOM 0 HA LYS A 861 11.351 -25.644 24.108 1.00 53.33 H new ATOM 0 HB2 LYS A 861 12.451 -23.767 26.146 1.00 73.32 H new ATOM 0 HB3 LYS A 861 11.023 -23.291 25.249 1.00 73.32 H new ATOM 0 HG2 LYS A 861 10.015 -24.455 26.993 1.00 31.44 H new ATOM 0 HG3 LYS A 861 10.198 -25.761 25.839 1.00 31.44 H new ATOM 0 HD2 LYS A 861 11.135 -26.764 27.719 1.00 32.25 H new ATOM 0 HD3 LYS A 861 12.576 -26.067 27.007 1.00 32.25 H new ATOM 0 HE2 LYS A 861 12.540 -24.183 28.523 1.00 75.41 H new ATOM 0 HE3 LYS A 861 10.907 -24.540 29.049 1.00 75.41 H new ATOM 0 HZ1 LYS A 861 12.688 -25.252 30.608 1.00 4.35 H new ATOM 0 HZ2 LYS A 861 11.640 -26.504 30.139 1.00 4.35 H new ATOM 0 HZ3 LYS A 861 13.192 -26.395 29.457 1.00 4.35 H new ATOM 1140 N ILE A 862 11.410 -24.214 22.155 1.00 4.54 N ATOM 1141 CA ILE A 862 11.464 -23.446 20.923 1.00 64.34 C ATOM 1142 C ILE A 862 10.469 -22.287 21.004 1.00 31.41 C ATOM 1143 O ILE A 862 9.425 -22.405 21.644 1.00 72.14 O ATOM 1144 CB ILE A 862 11.248 -24.359 19.714 1.00 42.13 C ATOM 1145 CG1 ILE A 862 9.759 -24.626 19.488 1.00 33.42 C ATOM 1146 CG2 ILE A 862 12.048 -25.655 19.855 1.00 24.33 C ATOM 1147 CD1 ILE A 862 9.152 -23.589 18.541 1.00 5.54 C ATOM 0 H ILE A 862 10.639 -24.880 22.209 1.00 4.54 H new ATOM 0 HA ILE A 862 12.453 -23.007 20.791 1.00 64.34 H new ATOM 0 HB ILE A 862 11.621 -23.846 18.828 1.00 42.13 H new ATOM 0 HG12 ILE A 862 9.624 -25.625 19.073 1.00 33.42 H new ATOM 0 HG13 ILE A 862 9.233 -24.603 20.443 1.00 33.42 H new ATOM 0 HG21 ILE A 862 11.876 -26.285 18.982 1.00 24.33 H new ATOM 0 HG22 ILE A 862 13.110 -25.421 19.930 1.00 24.33 H new ATOM 0 HG23 ILE A 862 11.729 -26.184 20.753 1.00 24.33 H new ATOM 0 HD11 ILE A 862 8.093 -23.803 18.398 1.00 5.54 H new ATOM 0 HD12 ILE A 862 9.267 -22.593 18.970 1.00 5.54 H new ATOM 0 HD13 ILE A 862 9.664 -23.631 17.579 1.00 5.54 H new ATOM 1159 N PHE A 863 10.827 -21.194 20.347 1.00 24.12 N ATOM 1160 CA PHE A 863 9.979 -20.015 20.337 1.00 14.34 C ATOM 1161 C PHE A 863 10.015 -19.324 18.972 1.00 31.44 C ATOM 1162 O PHE A 863 10.814 -19.687 18.110 1.00 20.05 O ATOM 1163 CB PHE A 863 10.531 -19.057 21.395 1.00 62.12 C ATOM 1164 CG PHE A 863 10.829 -19.721 22.741 1.00 61.13 C ATOM 1165 CD1 PHE A 863 9.828 -19.913 23.641 1.00 51.31 C ATOM 1166 CD2 PHE A 863 12.095 -20.120 23.037 1.00 43.12 C ATOM 1167 CE1 PHE A 863 10.104 -20.529 24.890 1.00 64.00 C ATOM 1168 CE2 PHE A 863 12.372 -20.736 24.286 1.00 72.13 C ATOM 1169 CZ PHE A 863 11.371 -20.928 25.186 1.00 54.20 C ATOM 0 H PHE A 863 11.694 -21.100 19.817 1.00 24.12 H new ATOM 0 HA PHE A 863 8.947 -20.298 20.543 1.00 14.34 H new ATOM 0 HB2 PHE A 863 11.446 -18.601 21.016 1.00 62.12 H new ATOM 0 HB3 PHE A 863 9.814 -18.251 21.550 1.00 62.12 H new ATOM 0 HD1 PHE A 863 8.823 -19.597 23.406 1.00 51.31 H new ATOM 0 HD2 PHE A 863 12.890 -19.968 22.322 1.00 43.12 H new ATOM 0 HE1 PHE A 863 9.309 -20.681 25.605 1.00 64.00 H new ATOM 0 HE2 PHE A 863 13.378 -21.052 24.521 1.00 72.13 H new ATOM 0 HZ PHE A 863 11.581 -21.397 26.136 1.00 54.20 H new ATOM 1179 N CYS A 864 9.140 -18.342 18.818 1.00 13.34 N ATOM 1180 CA CYS A 864 9.062 -17.597 17.573 1.00 74.40 C ATOM 1181 C CYS A 864 10.325 -16.744 17.443 1.00 30.32 C ATOM 1182 O CYS A 864 10.884 -16.301 18.445 1.00 42.42 O ATOM 1183 CB CYS A 864 7.790 -16.749 17.500 1.00 62.33 C ATOM 1184 SG CYS A 864 7.372 -16.399 15.753 1.00 11.50 S ATOM 0 H CYS A 864 8.478 -18.045 19.535 1.00 13.34 H new ATOM 0 HA CYS A 864 9.006 -18.291 16.734 1.00 74.40 H new ATOM 0 HB2 CYS A 864 6.965 -17.274 17.982 1.00 62.33 H new ATOM 0 HB3 CYS A 864 7.934 -15.815 18.042 1.00 62.33 H new ATOM 0 HG CYS A 864 6.638 -17.363 15.281 1.00 11.50 H new ATOM 1190 N ALA A 865 10.738 -16.540 16.201 1.00 72.41 N ATOM 1191 CA ALA A 865 11.925 -15.748 15.927 1.00 31.41 C ATOM 1192 C ALA A 865 11.527 -14.280 15.765 1.00 12.04 C ATOM 1193 O ALA A 865 12.348 -13.385 15.960 1.00 64.44 O ATOM 1194 CB ALA A 865 12.633 -16.300 14.688 1.00 34.52 C ATOM 0 H ALA A 865 10.272 -16.910 15.373 1.00 72.41 H new ATOM 0 HA ALA A 865 12.627 -15.810 16.758 1.00 31.41 H new ATOM 0 HB1 ALA A 865 13.523 -15.706 14.483 1.00 34.52 H new ATOM 0 HB2 ALA A 865 12.921 -17.336 14.865 1.00 34.52 H new ATOM 0 HB3 ALA A 865 11.959 -16.252 13.832 1.00 34.52 H new ATOM 1200 N ARG A 866 10.266 -14.077 15.412 1.00 62.35 N ATOM 1201 CA ARG A 866 9.749 -12.733 15.221 1.00 1.35 C ATOM 1202 C ARG A 866 9.981 -11.892 16.479 1.00 75.41 C ATOM 1203 O ARG A 866 10.591 -12.360 17.439 1.00 73.40 O ATOM 1204 CB ARG A 866 8.253 -12.758 14.901 1.00 22.05 C ATOM 1205 CG ARG A 866 8.006 -13.250 13.474 1.00 62.01 C ATOM 1206 CD ARG A 866 8.319 -12.153 12.454 1.00 15.01 C ATOM 1207 NE ARG A 866 8.762 -12.759 11.179 1.00 42.11 N ATOM 1208 CZ ARG A 866 8.701 -12.136 9.983 1.00 55.41 C ATOM 1209 NH1 ARG A 866 8.212 -10.881 9.889 1.00 42.52 N ATOM 1210 NH2 ARG A 866 9.125 -12.772 8.907 1.00 12.20 N ATOM 0 H ARG A 866 9.587 -14.821 15.253 1.00 62.35 H new ATOM 0 HA ARG A 866 10.281 -12.289 14.379 1.00 1.35 H new ATOM 0 HB2 ARG A 866 7.737 -13.408 15.608 1.00 22.05 H new ATOM 0 HB3 ARG A 866 7.835 -11.759 15.023 1.00 22.05 H new ATOM 0 HG2 ARG A 866 8.625 -14.124 13.275 1.00 62.01 H new ATOM 0 HG3 ARG A 866 6.968 -13.564 13.368 1.00 62.01 H new ATOM 0 HD2 ARG A 866 7.435 -11.538 12.286 1.00 15.01 H new ATOM 0 HD3 ARG A 866 9.096 -11.495 12.843 1.00 15.01 H new ATOM 0 HE ARG A 866 9.137 -13.707 11.205 1.00 42.11 H new ATOM 0 HH11 ARG A 866 7.885 -10.397 10.725 1.00 42.52 H new ATOM 0 HH12 ARG A 866 8.169 -10.417 8.982 1.00 42.52 H new ATOM 0 HH21 ARG A 866 9.492 -13.720 8.987 1.00 12.20 H new ATOM 0 HH22 ARG A 866 9.086 -12.315 7.996 1.00 12.20 H new ATOM 1223 N GLN A 867 9.481 -10.666 16.433 1.00 70.13 N ATOM 1224 CA GLN A 867 9.626 -9.756 17.556 1.00 34.23 C ATOM 1225 C GLN A 867 9.089 -10.403 18.835 1.00 3.42 C ATOM 1226 O GLN A 867 9.423 -9.974 19.939 1.00 52.43 O ATOM 1227 CB GLN A 867 8.923 -8.426 17.278 1.00 4.34 C ATOM 1228 CG GLN A 867 9.288 -7.382 18.336 1.00 41.23 C ATOM 1229 CD GLN A 867 8.740 -6.004 17.958 1.00 63.02 C ATOM 1230 OE1 GLN A 867 7.848 -5.866 17.137 1.00 1.12 O ATOM 1231 NE2 GLN A 867 9.323 -4.995 18.600 1.00 35.53 N ATOM 0 H GLN A 867 8.975 -10.282 15.635 1.00 70.13 H new ATOM 0 HA GLN A 867 10.687 -9.547 17.695 1.00 34.23 H new ATOM 0 HB2 GLN A 867 9.204 -8.061 16.290 1.00 4.34 H new ATOM 0 HB3 GLN A 867 7.843 -8.576 17.267 1.00 4.34 H new ATOM 0 HG2 GLN A 867 8.887 -7.684 19.304 1.00 41.23 H new ATOM 0 HG3 GLN A 867 10.372 -7.330 18.442 1.00 41.23 H new ATOM 0 HE21 GLN A 867 10.064 -5.181 19.276 1.00 35.53 H new ATOM 0 HE22 GLN A 867 9.029 -4.036 18.417 1.00 35.53 H new ATOM 1240 N ASN A 868 8.267 -11.424 18.644 1.00 3.12 N ATOM 1241 CA ASN A 868 7.682 -12.134 19.769 1.00 54.32 C ATOM 1242 C ASN A 868 8.794 -12.797 20.583 1.00 3.11 C ATOM 1243 O ASN A 868 9.549 -13.614 20.059 1.00 62.32 O ATOM 1244 CB ASN A 868 6.727 -13.230 19.291 1.00 23.05 C ATOM 1245 CG ASN A 868 5.878 -12.744 18.115 1.00 23.01 C ATOM 1246 OD1 ASN A 868 5.642 -13.454 17.151 1.00 1.14 O ATOM 1247 ND2 ASN A 868 5.434 -11.497 18.247 1.00 23.40 N ATOM 0 H ASN A 868 7.992 -11.777 17.727 1.00 3.12 H new ATOM 0 HA ASN A 868 7.131 -11.413 20.373 1.00 54.32 H new ATOM 0 HB2 ASN A 868 7.298 -14.110 18.993 1.00 23.05 H new ATOM 0 HB3 ASN A 868 6.077 -13.534 20.112 1.00 23.05 H new ATOM 0 HD21 ASN A 868 4.859 -11.080 17.515 1.00 23.40 H new ATOM 0 HD22 ASN A 868 5.669 -10.958 19.080 1.00 23.40 H new ATOM 1254 N CYS A 869 8.860 -12.420 21.852 1.00 65.15 N ATOM 1255 CA CYS A 869 9.868 -12.968 22.743 1.00 22.24 C ATOM 1256 C CYS A 869 9.173 -13.896 23.742 1.00 52.31 C ATOM 1257 O CYS A 869 9.640 -15.005 23.993 1.00 21.40 O ATOM 1258 CB CYS A 869 10.662 -11.865 23.446 1.00 13.14 C ATOM 1259 SG CYS A 869 9.516 -10.638 24.175 1.00 44.41 S ATOM 0 H CYS A 869 8.232 -11.742 22.284 1.00 65.15 H new ATOM 0 HA CYS A 869 10.596 -13.537 22.165 1.00 22.24 H new ATOM 0 HB2 CYS A 869 11.289 -12.297 24.226 1.00 13.14 H new ATOM 0 HB3 CYS A 869 11.328 -11.376 22.736 1.00 13.14 H new ATOM 0 HG CYS A 869 10.199 -9.707 24.772 1.00 44.41 H new ATOM 1265 N SER A 870 8.067 -13.407 24.284 1.00 4.43 N ATOM 1266 CA SER A 870 7.303 -14.178 25.250 1.00 51.13 C ATOM 1267 C SER A 870 6.230 -14.999 24.532 1.00 61.13 C ATOM 1268 O SER A 870 5.140 -15.203 25.064 1.00 71.14 O ATOM 1269 CB SER A 870 6.661 -13.267 26.298 1.00 0.00 C ATOM 1270 OG SER A 870 7.568 -12.275 26.771 1.00 44.13 O ATOM 0 H SER A 870 7.682 -12.487 24.072 1.00 4.43 H new ATOM 0 HA SER A 870 7.986 -14.854 25.765 1.00 51.13 H new ATOM 0 HB2 SER A 870 5.785 -12.782 25.868 1.00 0.00 H new ATOM 0 HB3 SER A 870 6.313 -13.869 27.137 1.00 0.00 H new ATOM 0 HG SER A 870 7.120 -11.713 27.437 1.00 44.13 H new ATOM 1276 N HIS A 871 6.577 -15.448 23.334 1.00 33.14 N ATOM 1277 CA HIS A 871 5.657 -16.243 22.538 1.00 50.41 C ATOM 1278 C HIS A 871 6.325 -17.562 22.146 1.00 44.34 C ATOM 1279 O HIS A 871 7.265 -17.574 21.351 1.00 14.14 O ATOM 1280 CB HIS A 871 5.159 -15.448 21.329 1.00 11.33 C ATOM 1281 CG HIS A 871 3.850 -15.946 20.763 1.00 4.05 C ATOM 1282 ND1 HIS A 871 3.749 -16.533 19.514 1.00 30.34 N ATOM 1283 CD2 HIS A 871 2.592 -15.939 21.289 1.00 31.23 C ATOM 1284 CE1 HIS A 871 2.482 -16.860 19.308 1.00 71.43 C ATOM 1285 NE2 HIS A 871 1.766 -16.491 20.409 1.00 43.04 N ATOM 0 H HIS A 871 7.482 -15.276 22.896 1.00 33.14 H new ATOM 0 HA HIS A 871 4.774 -16.485 23.129 1.00 50.41 H new ATOM 0 HB2 HIS A 871 5.045 -14.403 21.617 1.00 11.33 H new ATOM 0 HB3 HIS A 871 5.918 -15.482 20.547 1.00 11.33 H new ATOM 0 HD2 HIS A 871 2.315 -15.550 22.258 1.00 31.23 H new ATOM 0 HE1 HIS A 871 2.085 -17.336 18.423 1.00 71.43 H new ATOM 0 HE2 HIS A 871 0.762 -16.618 20.535 1.00 43.04 H new ATOM 1293 N ASP A 872 5.815 -18.641 22.721 1.00 51.44 N ATOM 1294 CA ASP A 872 6.351 -19.962 22.441 1.00 35.11 C ATOM 1295 C ASP A 872 5.404 -20.701 21.493 1.00 31.43 C ATOM 1296 O ASP A 872 4.206 -20.797 21.756 1.00 1.33 O ATOM 1297 CB ASP A 872 6.476 -20.788 23.723 1.00 42.12 C ATOM 1298 CG ASP A 872 5.164 -21.020 24.474 1.00 13.31 C ATOM 1299 OD1 ASP A 872 4.561 -22.100 24.389 1.00 63.20 O ATOM 1300 OD2 ASP A 872 4.756 -20.020 25.180 1.00 31.13 O ATOM 0 H ASP A 872 5.036 -18.627 23.380 1.00 51.44 H new ATOM 0 HA ASP A 872 7.337 -19.838 21.994 1.00 35.11 H new ATOM 0 HB2 ASP A 872 6.910 -21.756 23.472 1.00 42.12 H new ATOM 0 HB3 ASP A 872 7.177 -20.288 24.392 1.00 42.12 H new ATOM 1306 N TRP A 873 5.977 -21.206 20.410 1.00 11.35 N ATOM 1307 CA TRP A 873 5.199 -21.934 19.422 1.00 1.42 C ATOM 1308 C TRP A 873 5.027 -23.370 19.920 1.00 10.14 C ATOM 1309 O TRP A 873 3.907 -23.870 20.008 1.00 73.30 O ATOM 1310 CB TRP A 873 5.854 -21.854 18.042 1.00 63.11 C ATOM 1311 CG TRP A 873 5.646 -20.516 17.330 1.00 2.44 C ATOM 1312 CD1 TRP A 873 5.283 -19.343 17.868 1.00 21.11 C ATOM 1313 CD2 TRP A 873 5.805 -20.258 15.919 1.00 32.32 C ATOM 1314 NE1 TRP A 873 5.196 -18.353 16.911 1.00 43.13 N ATOM 1315 CE2 TRP A 873 5.524 -18.927 15.688 1.00 72.20 C ATOM 1316 CE3 TRP A 873 6.174 -21.122 14.873 1.00 53.22 C ATOM 1317 CZ2 TRP A 873 5.582 -18.341 14.418 1.00 11.20 C ATOM 1318 CZ3 TRP A 873 6.227 -20.520 13.610 1.00 62.44 C ATOM 1319 CH2 TRP A 873 5.947 -19.182 13.360 1.00 1.02 C ATOM 0 H TRP A 873 6.971 -21.125 20.195 1.00 11.35 H new ATOM 0 HA TRP A 873 4.212 -21.487 19.302 1.00 1.42 H new ATOM 0 HB2 TRP A 873 6.924 -22.035 18.148 1.00 63.11 H new ATOM 0 HB3 TRP A 873 5.456 -22.653 17.416 1.00 63.11 H new ATOM 0 HD1 TRP A 873 5.084 -19.192 18.919 1.00 21.11 H new ATOM 0 HE1 TRP A 873 4.938 -17.379 17.071 1.00 43.13 H new ATOM 0 HE3 TRP A 873 6.399 -22.166 15.031 1.00 53.22 H new ATOM 0 HZ2 TRP A 873 5.357 -17.296 14.263 1.00 11.20 H new ATOM 0 HZ3 TRP A 873 6.505 -21.140 12.770 1.00 62.44 H new ATOM 0 HH2 TRP A 873 6.011 -18.793 12.355 1.00 1.02 H new ATOM 1330 N GLY A 874 6.154 -23.993 20.234 1.00 54.32 N ATOM 1331 CA GLY A 874 6.142 -25.362 20.721 1.00 55.41 C ATOM 1332 C GLY A 874 7.384 -25.654 21.565 1.00 33.20 C ATOM 1333 O GLY A 874 7.922 -24.759 22.214 1.00 24.01 O ATOM 0 H GLY A 874 7.081 -23.575 20.161 1.00 54.32 H new ATOM 0 HA2 GLY A 874 5.245 -25.532 21.316 1.00 55.41 H new ATOM 0 HA3 GLY A 874 6.100 -26.051 19.878 1.00 55.41 H new ATOM 1337 N ILE A 875 7.802 -26.911 21.529 1.00 40.23 N ATOM 1338 CA ILE A 875 8.971 -27.333 22.282 1.00 14.42 C ATOM 1339 C ILE A 875 9.953 -28.034 21.342 1.00 52.33 C ATOM 1340 O ILE A 875 9.630 -28.296 20.184 1.00 11.50 O ATOM 1341 CB ILE A 875 8.555 -28.184 23.483 1.00 31.33 C ATOM 1342 CG1 ILE A 875 7.317 -29.023 23.159 1.00 61.15 C ATOM 1343 CG2 ILE A 875 8.349 -27.316 24.726 1.00 11.01 C ATOM 1344 CD1 ILE A 875 7.648 -30.118 22.143 1.00 62.51 C ATOM 0 H ILE A 875 7.352 -27.651 20.990 1.00 40.23 H new ATOM 0 HA ILE A 875 9.489 -26.469 22.697 1.00 14.42 H new ATOM 0 HB ILE A 875 9.365 -28.878 23.706 1.00 31.33 H new ATOM 0 HG12 ILE A 875 6.930 -29.474 24.072 1.00 61.15 H new ATOM 0 HG13 ILE A 875 6.531 -28.380 22.763 1.00 61.15 H new ATOM 0 HG21 ILE A 875 8.054 -27.946 25.565 1.00 11.01 H new ATOM 0 HG22 ILE A 875 9.279 -26.801 24.968 1.00 11.01 H new ATOM 0 HG23 ILE A 875 7.568 -26.581 24.531 1.00 11.01 H new ATOM 0 HD11 ILE A 875 6.751 -30.700 21.930 1.00 62.51 H new ATOM 0 HD12 ILE A 875 8.012 -29.662 21.222 1.00 62.51 H new ATOM 0 HD13 ILE A 875 8.417 -30.773 22.552 1.00 62.51 H new ATOM 1356 N HIS A 876 11.132 -28.318 21.874 1.00 3.32 N ATOM 1357 CA HIS A 876 12.164 -28.983 21.097 1.00 73.42 C ATOM 1358 C HIS A 876 12.310 -30.431 21.571 1.00 1.41 C ATOM 1359 O HIS A 876 12.467 -30.684 22.765 1.00 40.25 O ATOM 1360 CB HIS A 876 13.478 -28.203 21.158 1.00 25.41 C ATOM 1361 CG HIS A 876 14.342 -28.359 19.929 1.00 4.43 C ATOM 1362 ND1 HIS A 876 14.760 -27.283 19.165 1.00 12.45 N ATOM 1363 CD2 HIS A 876 14.863 -29.474 19.341 1.00 4.41 C ATOM 1364 CE1 HIS A 876 15.497 -27.741 18.165 1.00 62.02 C ATOM 1365 NE2 HIS A 876 15.560 -29.099 18.275 1.00 32.11 N ATOM 0 H HIS A 876 11.396 -28.100 22.835 1.00 3.32 H new ATOM 0 HA HIS A 876 11.874 -29.009 20.047 1.00 73.42 H new ATOM 0 HB2 HIS A 876 13.255 -27.146 21.301 1.00 25.41 H new ATOM 0 HB3 HIS A 876 14.043 -28.530 22.031 1.00 25.41 H new ATOM 0 HD2 HIS A 876 14.731 -30.489 19.684 1.00 4.41 H new ATOM 0 HE1 HIS A 876 15.966 -27.144 17.397 1.00 62.02 H new ATOM 0 HE2 HIS A 876 16.060 -29.724 17.642 1.00 32.11 H new ATOM 1373 N VAL A 877 12.254 -31.343 20.612 1.00 53.54 N ATOM 1374 CA VAL A 877 12.378 -32.758 20.916 1.00 1.10 C ATOM 1375 C VAL A 877 13.021 -33.476 19.728 1.00 62.00 C ATOM 1376 O VAL A 877 13.357 -32.847 18.726 1.00 65.12 O ATOM 1377 CB VAL A 877 11.012 -33.334 21.295 1.00 50.25 C ATOM 1378 CG1 VAL A 877 10.197 -32.324 22.106 1.00 62.43 C ATOM 1379 CG2 VAL A 877 10.244 -33.786 20.051 1.00 51.32 C ATOM 0 H VAL A 877 12.124 -31.129 19.623 1.00 53.54 H new ATOM 0 HA VAL A 877 13.029 -32.908 21.777 1.00 1.10 H new ATOM 0 HB VAL A 877 11.179 -34.210 21.922 1.00 50.25 H new ATOM 0 HG11 VAL A 877 9.231 -32.758 22.362 1.00 62.43 H new ATOM 0 HG12 VAL A 877 10.735 -32.072 23.020 1.00 62.43 H new ATOM 0 HG13 VAL A 877 10.044 -31.421 21.514 1.00 62.43 H new ATOM 0 HG21 VAL A 877 9.277 -34.191 20.348 1.00 51.32 H new ATOM 0 HG22 VAL A 877 10.092 -32.935 19.388 1.00 51.32 H new ATOM 0 HG23 VAL A 877 10.815 -34.555 19.530 1.00 51.32 H new ATOM 1389 N LYS A 878 13.173 -34.783 19.879 1.00 30.54 N ATOM 1390 CA LYS A 878 13.770 -35.594 18.831 1.00 11.14 C ATOM 1391 C LYS A 878 12.998 -36.909 18.708 1.00 61.21 C ATOM 1392 O LYS A 878 12.305 -37.316 19.639 1.00 20.20 O ATOM 1393 CB LYS A 878 15.267 -35.781 19.086 1.00 50.12 C ATOM 1394 CG LYS A 878 15.840 -36.888 18.199 1.00 72.22 C ATOM 1395 CD LYS A 878 17.363 -36.956 18.321 1.00 4.33 C ATOM 1396 CE LYS A 878 17.781 -37.879 19.468 1.00 51.03 C ATOM 1397 NZ LYS A 878 17.266 -37.368 20.758 1.00 62.30 N ATOM 0 H LYS A 878 12.893 -35.301 20.712 1.00 30.54 H new ATOM 0 HA LYS A 878 13.695 -35.089 17.868 1.00 11.14 H new ATOM 0 HB2 LYS A 878 15.792 -34.846 18.892 1.00 50.12 H new ATOM 0 HB3 LYS A 878 15.433 -36.028 20.135 1.00 50.12 H new ATOM 0 HG2 LYS A 878 15.406 -37.847 18.482 1.00 72.22 H new ATOM 0 HG3 LYS A 878 15.563 -36.707 17.161 1.00 72.22 H new ATOM 0 HD2 LYS A 878 17.791 -37.316 17.385 1.00 4.33 H new ATOM 0 HD3 LYS A 878 17.763 -35.956 18.490 1.00 4.33 H new ATOM 0 HE2 LYS A 878 17.400 -38.885 19.290 1.00 51.03 H new ATOM 0 HE3 LYS A 878 18.868 -37.952 19.507 1.00 51.03 H new ATOM 0 HZ1 LYS A 878 17.896 -37.672 21.528 1.00 62.30 H new ATOM 0 HZ2 LYS A 878 17.230 -36.329 20.730 1.00 62.30 H new ATOM 0 HZ3 LYS A 878 16.310 -37.744 20.924 1.00 62.30 H new ATOM 1410 N TYR A 879 13.144 -37.538 17.551 1.00 42.43 N ATOM 1411 CA TYR A 879 12.470 -38.799 17.293 1.00 15.54 C ATOM 1412 C TYR A 879 13.441 -39.833 16.721 1.00 34.20 C ATOM 1413 O TYR A 879 14.435 -39.475 16.091 1.00 33.14 O ATOM 1414 CB TYR A 879 11.393 -38.495 16.250 1.00 73.23 C ATOM 1415 CG TYR A 879 10.474 -39.679 15.942 1.00 54.11 C ATOM 1416 CD1 TYR A 879 10.188 -40.605 16.925 1.00 64.03 C ATOM 1417 CD2 TYR A 879 9.930 -39.821 14.681 1.00 14.35 C ATOM 1418 CE1 TYR A 879 9.323 -41.719 16.635 1.00 23.10 C ATOM 1419 CE2 TYR A 879 9.064 -40.935 14.392 1.00 45.22 C ATOM 1420 CZ TYR A 879 8.804 -41.829 15.383 1.00 70.01 C ATOM 1421 OH TYR A 879 7.987 -42.881 15.109 1.00 31.23 O ATOM 0 H TYR A 879 13.720 -37.197 16.781 1.00 42.43 H new ATOM 0 HA TYR A 879 12.056 -39.209 18.214 1.00 15.54 H new ATOM 0 HB2 TYR A 879 10.787 -37.660 16.601 1.00 73.23 H new ATOM 0 HB3 TYR A 879 11.876 -38.173 15.327 1.00 73.23 H new ATOM 0 HD1 TYR A 879 10.613 -40.494 17.912 1.00 64.03 H new ATOM 0 HD2 TYR A 879 10.154 -39.097 13.912 1.00 14.35 H new ATOM 0 HE1 TYR A 879 9.092 -42.451 17.395 1.00 23.10 H new ATOM 0 HE2 TYR A 879 8.631 -41.057 13.410 1.00 45.22 H new ATOM 0 HH TYR A 879 7.690 -42.830 14.177 1.00 31.23 H new ATOM 1431 N LYS A 880 13.118 -41.096 16.960 1.00 5.14 N ATOM 1432 CA LYS A 880 13.950 -42.185 16.477 1.00 51.14 C ATOM 1433 C LYS A 880 14.434 -41.861 15.062 1.00 64.31 C ATOM 1434 O LYS A 880 15.559 -42.198 14.695 1.00 3.41 O ATOM 1435 CB LYS A 880 13.203 -43.516 16.581 1.00 23.35 C ATOM 1436 CG LYS A 880 12.942 -43.885 18.043 1.00 1.13 C ATOM 1437 CD LYS A 880 14.213 -44.415 18.711 1.00 50.53 C ATOM 1438 CE LYS A 880 13.983 -44.671 20.201 1.00 22.23 C ATOM 1439 NZ LYS A 880 13.245 -45.938 20.401 1.00 33.23 N ATOM 0 H LYS A 880 12.292 -41.389 17.482 1.00 5.14 H new ATOM 0 HA LYS A 880 14.837 -42.294 17.101 1.00 51.14 H new ATOM 0 HB2 LYS A 880 12.257 -43.449 16.045 1.00 23.35 H new ATOM 0 HB3 LYS A 880 13.786 -44.303 16.102 1.00 23.35 H new ATOM 0 HG2 LYS A 880 12.581 -43.010 18.584 1.00 1.13 H new ATOM 0 HG3 LYS A 880 12.157 -44.639 18.097 1.00 1.13 H new ATOM 0 HD2 LYS A 880 14.526 -45.338 18.224 1.00 50.53 H new ATOM 0 HD3 LYS A 880 15.022 -43.696 18.583 1.00 50.53 H new ATOM 0 HE2 LYS A 880 14.940 -44.715 20.721 1.00 22.23 H new ATOM 0 HE3 LYS A 880 13.422 -43.844 20.636 1.00 22.23 H new ATOM 0 HZ1 LYS A 880 13.097 -46.097 21.418 1.00 33.23 H new ATOM 0 HZ2 LYS A 880 12.324 -45.882 19.922 1.00 33.23 H new ATOM 0 HZ3 LYS A 880 13.795 -46.726 20.004 1.00 33.23 H new ATOM 1452 N THR A 881 13.561 -41.212 14.306 1.00 63.22 N ATOM 1453 CA THR A 881 13.886 -40.839 12.939 1.00 21.45 C ATOM 1454 C THR A 881 14.939 -39.730 12.925 1.00 4.15 C ATOM 1455 O THR A 881 16.107 -39.981 12.631 1.00 71.12 O ATOM 1456 CB THR A 881 12.585 -40.451 12.233 1.00 24.44 C ATOM 1457 OG1 THR A 881 12.126 -39.311 12.954 1.00 44.35 O ATOM 1458 CG2 THR A 881 11.479 -41.489 12.434 1.00 55.44 C ATOM 0 H THR A 881 12.629 -40.935 14.614 1.00 63.22 H new ATOM 0 HA THR A 881 14.331 -41.673 12.396 1.00 21.45 H new ATOM 0 HB THR A 881 12.774 -40.323 11.167 1.00 24.44 H new ATOM 0 HG1 THR A 881 11.721 -39.599 13.799 1.00 44.35 H new ATOM 0 HG21 THR A 881 10.578 -41.166 11.913 1.00 55.44 H new ATOM 0 HG22 THR A 881 11.804 -42.449 12.034 1.00 55.44 H new ATOM 0 HG23 THR A 881 11.266 -41.592 13.498 1.00 55.44 H new ATOM 1466 N PHE A 882 14.489 -38.526 13.248 1.00 60.32 N ATOM 1467 CA PHE A 882 15.378 -37.377 13.276 1.00 21.41 C ATOM 1468 C PHE A 882 15.028 -36.441 14.434 1.00 35.02 C ATOM 1469 O PHE A 882 14.023 -36.640 15.115 1.00 13.43 O ATOM 1470 CB PHE A 882 15.185 -36.630 11.955 1.00 0.12 C ATOM 1471 CG PHE A 882 15.608 -37.428 10.721 1.00 64.54 C ATOM 1472 CD1 PHE A 882 16.910 -37.433 10.327 1.00 23.24 C ATOM 1473 CD2 PHE A 882 14.683 -38.134 10.017 1.00 52.55 C ATOM 1474 CE1 PHE A 882 17.303 -38.174 9.182 1.00 62.24 C ATOM 1475 CE2 PHE A 882 15.076 -38.875 8.871 1.00 53.43 C ATOM 1476 CZ PHE A 882 16.378 -38.879 8.477 1.00 33.35 C ATOM 0 H PHE A 882 13.520 -38.321 13.493 1.00 60.32 H new ATOM 0 HA PHE A 882 16.408 -37.707 13.410 1.00 21.41 H new ATOM 0 HB2 PHE A 882 14.135 -36.355 11.855 1.00 0.12 H new ATOM 0 HB3 PHE A 882 15.755 -35.702 11.988 1.00 0.12 H new ATOM 0 HD1 PHE A 882 17.645 -36.873 10.886 1.00 23.24 H new ATOM 0 HD2 PHE A 882 13.649 -38.131 10.330 1.00 52.55 H new ATOM 0 HE1 PHE A 882 18.337 -38.178 8.870 1.00 62.24 H new ATOM 0 HE2 PHE A 882 14.341 -39.435 8.312 1.00 53.43 H new ATOM 0 HZ PHE A 882 16.677 -39.442 7.605 1.00 33.35 H new ATOM 1486 N GLU A 883 15.876 -35.441 14.622 1.00 54.42 N ATOM 1487 CA GLU A 883 15.668 -34.473 15.686 1.00 50.02 C ATOM 1488 C GLU A 883 15.027 -33.200 15.128 1.00 24.33 C ATOM 1489 O GLU A 883 15.677 -32.433 14.420 1.00 62.25 O ATOM 1490 CB GLU A 883 16.982 -34.157 16.403 1.00 13.42 C ATOM 1491 CG GLU A 883 17.906 -33.324 15.512 1.00 23.44 C ATOM 1492 CD GLU A 883 19.368 -33.490 15.933 1.00 10.34 C ATOM 1493 OE1 GLU A 883 19.913 -34.601 15.859 1.00 73.22 O ATOM 1494 OE2 GLU A 883 19.941 -32.411 16.349 1.00 31.33 O ATOM 0 H GLU A 883 16.709 -35.280 14.056 1.00 54.42 H new ATOM 0 HA GLU A 883 14.988 -34.907 16.419 1.00 50.02 H new ATOM 0 HB2 GLU A 883 16.776 -33.615 17.326 1.00 13.42 H new ATOM 0 HB3 GLU A 883 17.480 -35.085 16.683 1.00 13.42 H new ATOM 0 HG2 GLU A 883 17.786 -33.628 14.472 1.00 23.44 H new ATOM 0 HG3 GLU A 883 17.624 -32.273 15.571 1.00 23.44 H new ATOM 1502 N ILE A 884 13.761 -33.015 15.470 1.00 73.23 N ATOM 1503 CA ILE A 884 13.025 -31.849 15.012 1.00 1.41 C ATOM 1504 C ILE A 884 11.977 -31.469 16.060 1.00 51.31 C ATOM 1505 O ILE A 884 11.535 -32.314 16.836 1.00 21.32 O ATOM 1506 CB ILE A 884 12.441 -32.096 13.620 1.00 42.54 C ATOM 1507 CG1 ILE A 884 12.118 -33.577 13.415 1.00 31.05 C ATOM 1508 CG2 ILE A 884 13.372 -31.557 12.531 1.00 1.34 C ATOM 1509 CD1 ILE A 884 11.011 -34.033 14.368 1.00 11.11 C ATOM 0 H ILE A 884 13.226 -33.653 16.059 1.00 73.23 H new ATOM 0 HA ILE A 884 13.694 -30.995 14.904 1.00 1.41 H new ATOM 0 HB ILE A 884 11.502 -31.548 13.542 1.00 42.54 H new ATOM 0 HG12 ILE A 884 11.808 -33.746 12.384 1.00 31.05 H new ATOM 0 HG13 ILE A 884 13.014 -34.175 13.580 1.00 31.05 H new ATOM 0 HG21 ILE A 884 12.933 -31.745 11.551 1.00 1.34 H new ATOM 0 HG22 ILE A 884 13.508 -30.484 12.667 1.00 1.34 H new ATOM 0 HG23 ILE A 884 14.338 -32.057 12.598 1.00 1.34 H new ATOM 0 HD11 ILE A 884 10.800 -35.089 14.202 1.00 11.11 H new ATOM 0 HD12 ILE A 884 11.334 -33.885 15.398 1.00 11.11 H new ATOM 0 HD13 ILE A 884 10.109 -33.450 14.183 1.00 11.11 H new ATOM 1521 N PRO A 885 11.600 -30.162 16.048 1.00 75.11 N ATOM 1522 CA PRO A 885 10.612 -29.660 16.988 1.00 54.25 C ATOM 1523 C PRO A 885 9.202 -30.106 16.593 1.00 65.44 C ATOM 1524 O PRO A 885 8.917 -30.299 15.412 1.00 74.31 O ATOM 1525 CB PRO A 885 10.783 -28.150 16.969 1.00 3.30 C ATOM 1526 CG PRO A 885 11.534 -27.831 15.686 1.00 33.21 C ATOM 1527 CD PRO A 885 12.101 -29.132 15.143 1.00 65.31 C ATOM 0 HA PRO A 885 10.753 -30.052 17.995 1.00 54.25 H new ATOM 0 HB2 PRO A 885 9.816 -27.647 16.991 1.00 3.30 H new ATOM 0 HB3 PRO A 885 11.339 -27.809 17.842 1.00 3.30 H new ATOM 0 HG2 PRO A 885 10.866 -27.372 14.957 1.00 33.21 H new ATOM 0 HG3 PRO A 885 12.334 -27.117 15.880 1.00 33.21 H new ATOM 0 HD2 PRO A 885 11.772 -29.310 14.119 1.00 65.31 H new ATOM 0 HD3 PRO A 885 13.191 -29.113 15.129 1.00 65.31 H new ATOM 1535 N VAL A 886 8.359 -30.257 17.603 1.00 22.52 N ATOM 1536 CA VAL A 886 6.987 -30.678 17.376 1.00 12.54 C ATOM 1537 C VAL A 886 6.038 -29.548 17.785 1.00 64.45 C ATOM 1538 O VAL A 886 6.110 -29.047 18.906 1.00 63.25 O ATOM 1539 CB VAL A 886 6.711 -31.987 18.118 1.00 60.22 C ATOM 1540 CG1 VAL A 886 7.508 -32.057 19.422 1.00 63.43 C ATOM 1541 CG2 VAL A 886 5.214 -32.164 18.380 1.00 61.10 C ATOM 0 H VAL A 886 8.599 -30.095 18.581 1.00 22.52 H new ATOM 0 HA VAL A 886 6.819 -30.878 16.318 1.00 12.54 H new ATOM 0 HB VAL A 886 7.039 -32.808 17.481 1.00 60.22 H new ATOM 0 HG11 VAL A 886 7.293 -32.997 19.930 1.00 63.43 H new ATOM 0 HG12 VAL A 886 8.574 -31.999 19.201 1.00 63.43 H new ATOM 0 HG13 VAL A 886 7.226 -31.224 20.066 1.00 63.43 H new ATOM 0 HG21 VAL A 886 5.046 -33.102 18.909 1.00 61.10 H new ATOM 0 HG22 VAL A 886 4.850 -31.335 18.987 1.00 61.10 H new ATOM 0 HG23 VAL A 886 4.678 -32.181 17.431 1.00 61.10 H new ATOM 1551 N ILE A 887 5.171 -29.181 16.852 1.00 24.05 N ATOM 1552 CA ILE A 887 4.210 -28.120 17.101 1.00 32.41 C ATOM 1553 C ILE A 887 2.802 -28.717 17.156 1.00 10.13 C ATOM 1554 O ILE A 887 2.601 -29.877 16.799 1.00 51.40 O ATOM 1555 CB ILE A 887 4.365 -27.004 16.067 1.00 55.32 C ATOM 1556 CG1 ILE A 887 5.825 -26.563 15.950 1.00 62.34 C ATOM 1557 CG2 ILE A 887 3.436 -25.830 16.384 1.00 13.01 C ATOM 1558 CD1 ILE A 887 5.978 -25.436 14.927 1.00 55.14 C ATOM 0 H ILE A 887 5.114 -29.599 15.923 1.00 24.05 H new ATOM 0 HA ILE A 887 4.398 -27.654 18.069 1.00 32.41 H new ATOM 0 HB ILE A 887 4.068 -27.397 15.094 1.00 55.32 H new ATOM 0 HG12 ILE A 887 6.186 -26.228 16.922 1.00 62.34 H new ATOM 0 HG13 ILE A 887 6.442 -27.412 15.656 1.00 62.34 H new ATOM 0 HG21 ILE A 887 3.566 -25.050 15.634 1.00 13.01 H new ATOM 0 HG22 ILE A 887 2.401 -26.172 16.376 1.00 13.01 H new ATOM 0 HG23 ILE A 887 3.678 -25.430 17.369 1.00 13.01 H new ATOM 0 HD11 ILE A 887 7.026 -25.142 14.864 1.00 55.14 H new ATOM 0 HD12 ILE A 887 5.639 -25.782 13.951 1.00 55.14 H new ATOM 0 HD13 ILE A 887 5.379 -24.580 15.237 1.00 55.14 H new ATOM 1570 N LYS A 888 1.864 -27.897 17.607 1.00 72.03 N ATOM 1571 CA LYS A 888 0.481 -28.329 17.713 1.00 35.13 C ATOM 1572 C LYS A 888 -0.344 -27.662 16.610 1.00 22.51 C ATOM 1573 O LYS A 888 0.209 -27.012 15.724 1.00 12.15 O ATOM 1574 CB LYS A 888 -0.055 -28.070 19.123 1.00 42.31 C ATOM 1575 CG LYS A 888 0.565 -26.805 19.720 1.00 13.44 C ATOM 1576 CD LYS A 888 -0.028 -26.502 21.098 1.00 54.20 C ATOM 1577 CE LYS A 888 0.111 -25.017 21.440 1.00 34.13 C ATOM 1578 NZ LYS A 888 1.443 -24.742 22.024 1.00 72.32 N ATOM 0 H LYS A 888 2.035 -26.936 17.903 1.00 72.03 H new ATOM 0 HA LYS A 888 0.406 -29.406 17.561 1.00 35.13 H new ATOM 0 HB2 LYS A 888 -1.140 -27.968 19.091 1.00 42.31 H new ATOM 0 HB3 LYS A 888 0.166 -28.925 19.763 1.00 42.31 H new ATOM 0 HG2 LYS A 888 1.645 -26.930 19.804 1.00 13.44 H new ATOM 0 HG3 LYS A 888 0.392 -25.961 19.052 1.00 13.44 H new ATOM 0 HD2 LYS A 888 -1.080 -26.786 21.116 1.00 54.20 H new ATOM 0 HD3 LYS A 888 0.477 -27.102 21.855 1.00 54.20 H new ATOM 0 HE2 LYS A 888 -0.030 -24.416 20.542 1.00 34.13 H new ATOM 0 HE3 LYS A 888 -0.668 -24.725 22.144 1.00 34.13 H new ATOM 0 HZ1 LYS A 888 1.380 -23.922 22.661 1.00 72.32 H new ATOM 0 HZ2 LYS A 888 1.765 -25.573 22.560 1.00 72.32 H new ATOM 0 HZ3 LYS A 888 2.121 -24.538 21.262 1.00 72.32 H new ATOM 1591 N ILE A 889 -1.653 -27.848 16.700 1.00 43.52 N ATOM 1592 CA ILE A 889 -2.559 -27.272 15.720 1.00 23.22 C ATOM 1593 C ILE A 889 -2.891 -25.834 16.122 1.00 1.12 C ATOM 1594 O ILE A 889 -3.101 -24.978 15.264 1.00 74.53 O ATOM 1595 CB ILE A 889 -3.791 -28.162 15.543 1.00 11.50 C ATOM 1596 CG1 ILE A 889 -4.417 -27.962 14.161 1.00 11.02 C ATOM 1597 CG2 ILE A 889 -4.801 -27.930 16.669 1.00 40.42 C ATOM 1598 CD1 ILE A 889 -5.811 -28.590 14.095 1.00 42.31 C ATOM 0 H ILE A 889 -2.108 -28.389 17.436 1.00 43.52 H new ATOM 0 HA ILE A 889 -2.083 -27.227 14.740 1.00 23.22 H new ATOM 0 HB ILE A 889 -3.473 -29.203 15.605 1.00 11.50 H new ATOM 0 HG12 ILE A 889 -4.483 -26.897 13.938 1.00 11.02 H new ATOM 0 HG13 ILE A 889 -3.777 -28.408 13.400 1.00 11.02 H new ATOM 0 HG21 ILE A 889 -5.667 -28.575 16.519 1.00 40.42 H new ATOM 0 HG22 ILE A 889 -4.337 -28.162 17.628 1.00 40.42 H new ATOM 0 HG23 ILE A 889 -5.119 -26.888 16.663 1.00 40.42 H new ATOM 0 HD11 ILE A 889 -6.234 -28.434 13.103 1.00 42.31 H new ATOM 0 HD12 ILE A 889 -5.738 -29.659 14.294 1.00 42.31 H new ATOM 0 HD13 ILE A 889 -6.455 -28.125 14.841 1.00 42.31 H new ATOM 1610 N GLU A 890 -2.928 -25.612 17.428 1.00 44.42 N ATOM 1611 CA GLU A 890 -3.231 -24.292 17.954 1.00 3.41 C ATOM 1612 C GLU A 890 -1.943 -23.488 18.145 1.00 1.22 C ATOM 1613 O GLU A 890 -1.831 -22.703 19.085 1.00 1.53 O ATOM 1614 CB GLU A 890 -4.015 -24.390 19.264 1.00 21.30 C ATOM 1615 CG GLU A 890 -3.392 -25.429 20.199 1.00 72.21 C ATOM 1616 CD GLU A 890 -3.856 -25.217 21.641 1.00 12.33 C ATOM 1617 OE1 GLU A 890 -3.947 -26.184 22.412 1.00 1.22 O ATOM 1618 OE2 GLU A 890 -4.126 -23.994 21.953 1.00 74.43 O ATOM 0 H GLU A 890 -2.753 -26.324 18.137 1.00 44.42 H new ATOM 0 HA GLU A 890 -3.859 -23.770 17.232 1.00 3.41 H new ATOM 0 HB2 GLU A 890 -4.032 -23.417 19.755 1.00 21.30 H new ATOM 0 HB3 GLU A 890 -5.050 -24.659 19.053 1.00 21.30 H new ATOM 0 HG2 GLU A 890 -3.666 -26.431 19.869 1.00 72.21 H new ATOM 0 HG3 GLU A 890 -2.305 -25.363 20.149 1.00 72.21 H new ATOM 1626 N SER A 891 -1.003 -23.712 17.239 1.00 51.14 N ATOM 1627 CA SER A 891 0.272 -23.018 17.296 1.00 64.34 C ATOM 1628 C SER A 891 0.298 -21.884 16.269 1.00 72.32 C ATOM 1629 O SER A 891 0.946 -20.861 16.484 1.00 33.24 O ATOM 1630 CB SER A 891 1.435 -23.982 17.051 1.00 71.35 C ATOM 1631 OG SER A 891 2.635 -23.543 17.682 1.00 73.23 O ATOM 0 H SER A 891 -1.099 -24.365 16.461 1.00 51.14 H new ATOM 0 HA SER A 891 0.388 -22.597 18.295 1.00 64.34 H new ATOM 0 HB2 SER A 891 1.170 -24.971 17.424 1.00 71.35 H new ATOM 0 HB3 SER A 891 1.604 -24.080 15.979 1.00 71.35 H new ATOM 0 HG SER A 891 2.679 -23.907 18.591 1.00 73.23 H new ATOM 1637 N PHE A 892 -0.415 -22.104 15.174 1.00 33.30 N ATOM 1638 CA PHE A 892 -0.483 -21.114 14.113 1.00 2.42 C ATOM 1639 C PHE A 892 -1.742 -21.304 13.265 1.00 42.52 C ATOM 1640 O PHE A 892 -2.408 -22.333 13.358 1.00 62.51 O ATOM 1641 CB PHE A 892 0.749 -21.320 13.230 1.00 41.23 C ATOM 1642 CG PHE A 892 1.116 -22.788 13.006 1.00 33.42 C ATOM 1643 CD1 PHE A 892 0.304 -23.586 12.262 1.00 33.44 C ATOM 1644 CD2 PHE A 892 2.254 -23.296 13.551 1.00 12.34 C ATOM 1645 CE1 PHE A 892 0.644 -24.949 12.055 1.00 70.41 C ATOM 1646 CE2 PHE A 892 2.594 -24.659 13.344 1.00 41.41 C ATOM 1647 CZ PHE A 892 1.782 -25.457 12.600 1.00 1.41 C ATOM 0 H PHE A 892 -0.951 -22.954 14.999 1.00 33.30 H new ATOM 0 HA PHE A 892 -0.514 -20.112 14.541 1.00 2.42 H new ATOM 0 HB2 PHE A 892 0.573 -20.849 12.263 1.00 41.23 H new ATOM 0 HB3 PHE A 892 1.598 -20.809 13.684 1.00 41.23 H new ATOM 0 HD1 PHE A 892 -0.599 -23.183 11.829 1.00 33.44 H new ATOM 0 HD2 PHE A 892 2.899 -22.662 14.141 1.00 12.34 H new ATOM 0 HE1 PHE A 892 -0.001 -25.583 11.465 1.00 70.41 H new ATOM 0 HE2 PHE A 892 3.497 -25.062 13.777 1.00 41.41 H new ATOM 0 HZ PHE A 892 2.041 -26.494 12.442 1.00 1.41 H new ATOM 1657 N VAL A 893 -2.030 -20.294 12.457 1.00 51.12 N ATOM 1658 CA VAL A 893 -3.197 -20.337 11.593 1.00 54.34 C ATOM 1659 C VAL A 893 -2.782 -20.831 10.206 1.00 62.05 C ATOM 1660 O VAL A 893 -1.593 -20.889 9.894 1.00 54.14 O ATOM 1661 CB VAL A 893 -3.875 -18.965 11.560 1.00 32.42 C ATOM 1662 CG1 VAL A 893 -3.775 -18.272 12.920 1.00 20.14 C ATOM 1663 CG2 VAL A 893 -3.286 -18.089 10.453 1.00 14.21 C ATOM 0 H VAL A 893 -1.475 -19.441 12.383 1.00 51.12 H new ATOM 0 HA VAL A 893 -3.934 -21.040 11.982 1.00 54.34 H new ATOM 0 HB VAL A 893 -4.931 -19.118 11.339 1.00 32.42 H new ATOM 0 HG11 VAL A 893 -4.264 -17.299 12.870 1.00 20.14 H new ATOM 0 HG12 VAL A 893 -4.263 -18.885 13.678 1.00 20.14 H new ATOM 0 HG13 VAL A 893 -2.726 -18.137 13.183 1.00 20.14 H new ATOM 0 HG21 VAL A 893 -3.785 -17.120 10.451 1.00 14.21 H new ATOM 0 HG22 VAL A 893 -2.220 -17.948 10.630 1.00 14.21 H new ATOM 0 HG23 VAL A 893 -3.433 -18.574 9.488 1.00 14.21 H new ATOM 1673 N VAL A 894 -3.784 -21.175 9.410 1.00 11.12 N ATOM 1674 CA VAL A 894 -3.538 -21.662 8.064 1.00 64.33 C ATOM 1675 C VAL A 894 -4.345 -20.828 7.068 1.00 54.41 C ATOM 1676 O VAL A 894 -5.575 -20.869 7.071 1.00 63.30 O ATOM 1677 CB VAL A 894 -3.851 -23.158 7.983 1.00 50.20 C ATOM 1678 CG1 VAL A 894 -2.981 -23.844 6.928 1.00 23.25 C ATOM 1679 CG2 VAL A 894 -3.687 -23.827 9.349 1.00 14.32 C ATOM 0 H VAL A 894 -4.769 -21.126 9.672 1.00 11.12 H new ATOM 0 HA VAL A 894 -2.485 -21.549 7.804 1.00 64.33 H new ATOM 0 HB VAL A 894 -4.892 -23.267 7.680 1.00 50.20 H new ATOM 0 HG11 VAL A 894 -3.224 -24.906 6.891 1.00 23.25 H new ATOM 0 HG12 VAL A 894 -3.169 -23.395 5.953 1.00 23.25 H new ATOM 0 HG13 VAL A 894 -1.930 -23.721 7.187 1.00 23.25 H new ATOM 0 HG21 VAL A 894 -3.915 -24.889 9.264 1.00 14.32 H new ATOM 0 HG22 VAL A 894 -2.660 -23.703 9.694 1.00 14.32 H new ATOM 0 HG23 VAL A 894 -4.368 -23.366 10.064 1.00 14.32 H new ATOM 1689 N GLU A 895 -3.622 -20.089 6.240 1.00 63.03 N ATOM 1690 CA GLU A 895 -4.256 -19.246 5.240 1.00 3.25 C ATOM 1691 C GLU A 895 -3.894 -19.726 3.834 1.00 73.54 C ATOM 1692 O GLU A 895 -2.717 -19.814 3.487 1.00 74.01 O ATOM 1693 CB GLU A 895 -3.868 -17.779 5.435 1.00 2.30 C ATOM 1694 CG GLU A 895 -4.793 -16.857 4.639 1.00 51.44 C ATOM 1695 CD GLU A 895 -4.067 -15.574 4.227 1.00 14.13 C ATOM 1696 OE1 GLU A 895 -3.514 -15.503 3.120 1.00 40.40 O ATOM 1697 OE2 GLU A 895 -4.092 -14.628 5.104 1.00 33.34 O ATOM 0 H GLU A 895 -2.603 -20.056 6.241 1.00 63.03 H new ATOM 0 HA GLU A 895 -5.337 -19.322 5.361 1.00 3.25 H new ATOM 0 HB2 GLU A 895 -3.917 -17.524 6.494 1.00 2.30 H new ATOM 0 HB3 GLU A 895 -2.836 -17.627 5.118 1.00 2.30 H new ATOM 0 HG2 GLU A 895 -5.153 -17.376 3.751 1.00 51.44 H new ATOM 0 HG3 GLU A 895 -5.668 -16.607 5.239 1.00 51.44 H new ATOM 1705 N ASP A 896 -4.928 -20.025 3.061 1.00 34.51 N ATOM 1706 CA ASP A 896 -4.735 -20.495 1.700 1.00 64.02 C ATOM 1707 C ASP A 896 -4.238 -19.337 0.831 1.00 21.45 C ATOM 1708 O ASP A 896 -4.667 -18.198 1.006 1.00 45.34 O ATOM 1709 CB ASP A 896 -6.047 -21.006 1.101 1.00 3.33 C ATOM 1710 CG ASP A 896 -6.114 -22.519 0.887 1.00 20.20 C ATOM 1711 OD1 ASP A 896 -6.987 -23.204 1.440 1.00 71.30 O ATOM 1712 OD2 ASP A 896 -5.208 -23.000 0.104 1.00 12.31 O ATOM 0 H ASP A 896 -5.903 -19.951 3.352 1.00 34.51 H new ATOM 0 HA ASP A 896 -4.010 -21.308 1.724 1.00 64.02 H new ATOM 0 HB2 ASP A 896 -6.867 -20.710 1.755 1.00 3.33 H new ATOM 0 HB3 ASP A 896 -6.209 -20.511 0.143 1.00 3.33 H new ATOM 1718 N ILE A 897 -3.341 -19.670 -0.085 1.00 42.21 N ATOM 1719 CA ILE A 897 -2.781 -18.672 -0.981 1.00 31.10 C ATOM 1720 C ILE A 897 -3.666 -18.555 -2.224 1.00 20.14 C ATOM 1721 O ILE A 897 -3.450 -17.683 -3.064 1.00 62.52 O ATOM 1722 CB ILE A 897 -1.319 -18.994 -1.295 1.00 62.44 C ATOM 1723 CG1 ILE A 897 -0.652 -19.717 -0.123 1.00 73.21 C ATOM 1724 CG2 ILE A 897 -0.554 -17.733 -1.700 1.00 51.43 C ATOM 1725 CD1 ILE A 897 -0.459 -21.203 -0.433 1.00 42.15 C ATOM 0 H ILE A 897 -2.988 -20.616 -0.226 1.00 42.21 H new ATOM 0 HA ILE A 897 -2.772 -17.693 -0.502 1.00 31.10 H new ATOM 0 HB ILE A 897 -1.295 -19.673 -2.148 1.00 62.44 H new ATOM 0 HG12 ILE A 897 0.313 -19.258 0.090 1.00 73.21 H new ATOM 0 HG13 ILE A 897 -1.263 -19.605 0.773 1.00 73.21 H new ATOM 0 HG21 ILE A 897 0.483 -17.990 -1.918 1.00 51.43 H new ATOM 0 HG22 ILE A 897 -1.014 -17.298 -2.587 1.00 51.43 H new ATOM 0 HG23 ILE A 897 -0.585 -17.011 -0.884 1.00 51.43 H new ATOM 0 HD11 ILE A 897 0.017 -21.693 0.416 1.00 42.15 H new ATOM 0 HD12 ILE A 897 -1.428 -21.664 -0.622 1.00 42.15 H new ATOM 0 HD13 ILE A 897 0.172 -21.312 -1.315 1.00 42.15 H new ATOM 1737 N ALA A 898 -4.644 -19.446 -2.301 1.00 2.35 N ATOM 1738 CA ALA A 898 -5.562 -19.453 -3.426 1.00 74.34 C ATOM 1739 C ALA A 898 -6.835 -18.693 -3.046 1.00 63.41 C ATOM 1740 O ALA A 898 -7.703 -18.469 -3.888 1.00 32.22 O ATOM 1741 CB ALA A 898 -5.848 -20.898 -3.843 1.00 12.45 C ATOM 0 H ALA A 898 -4.820 -20.168 -1.602 1.00 2.35 H new ATOM 0 HA ALA A 898 -5.120 -18.947 -4.284 1.00 74.34 H new ATOM 0 HB1 ALA A 898 -6.537 -20.903 -4.687 1.00 12.45 H new ATOM 0 HB2 ALA A 898 -4.916 -21.385 -4.132 1.00 12.45 H new ATOM 0 HB3 ALA A 898 -6.294 -21.436 -3.007 1.00 12.45 H new ATOM 1747 N THR A 899 -6.905 -18.318 -1.777 1.00 44.04 N ATOM 1748 CA THR A 899 -8.056 -17.588 -1.275 1.00 52.13 C ATOM 1749 C THR A 899 -7.615 -16.518 -0.275 1.00 24.13 C ATOM 1750 O THR A 899 -8.045 -15.369 -0.359 1.00 12.13 O ATOM 1751 CB THR A 899 -9.039 -18.602 -0.686 1.00 61.14 C ATOM 1752 OG1 THR A 899 -8.581 -18.794 0.649 1.00 25.50 O ATOM 1753 CG2 THR A 899 -8.908 -19.985 -1.328 1.00 50.11 C ATOM 0 H THR A 899 -6.183 -18.506 -1.082 1.00 44.04 H new ATOM 0 HA THR A 899 -8.563 -17.050 -2.076 1.00 52.13 H new ATOM 0 HB THR A 899 -10.058 -18.237 -0.815 1.00 61.14 H new ATOM 0 HG1 THR A 899 -9.163 -19.437 1.105 1.00 25.50 H new ATOM 0 HG21 THR A 899 -9.628 -20.666 -0.874 1.00 50.11 H new ATOM 0 HG22 THR A 899 -9.104 -19.910 -2.398 1.00 50.11 H new ATOM 0 HG23 THR A 899 -7.899 -20.365 -1.170 1.00 50.11 H new ATOM 1761 N GLY A 900 -6.761 -16.934 0.649 1.00 31.03 N ATOM 1762 CA GLY A 900 -6.256 -16.026 1.665 1.00 53.30 C ATOM 1763 C GLY A 900 -7.084 -16.124 2.948 1.00 2.32 C ATOM 1764 O GLY A 900 -7.002 -15.252 3.812 1.00 41.20 O ATOM 0 H GLY A 900 -6.406 -17.888 0.715 1.00 31.03 H new ATOM 0 HA2 GLY A 900 -5.214 -16.260 1.882 1.00 53.30 H new ATOM 0 HA3 GLY A 900 -6.281 -15.003 1.289 1.00 53.30 H new ATOM 1768 N VAL A 901 -7.862 -17.193 3.032 1.00 1.25 N ATOM 1769 CA VAL A 901 -8.704 -17.416 4.196 1.00 65.03 C ATOM 1770 C VAL A 901 -7.883 -18.102 5.290 1.00 44.33 C ATOM 1771 O VAL A 901 -7.509 -19.265 5.153 1.00 65.42 O ATOM 1772 CB VAL A 901 -9.949 -18.210 3.796 1.00 23.40 C ATOM 1773 CG1 VAL A 901 -10.938 -18.301 4.959 1.00 12.54 C ATOM 1774 CG2 VAL A 901 -10.612 -17.604 2.558 1.00 63.03 C ATOM 0 H VAL A 901 -7.927 -17.914 2.314 1.00 1.25 H new ATOM 0 HA VAL A 901 -9.056 -16.467 4.601 1.00 65.03 H new ATOM 0 HB VAL A 901 -9.634 -19.223 3.545 1.00 23.40 H new ATOM 0 HG11 VAL A 901 -11.814 -18.870 4.648 1.00 12.54 H new ATOM 0 HG12 VAL A 901 -10.462 -18.800 5.803 1.00 12.54 H new ATOM 0 HG13 VAL A 901 -11.244 -17.298 5.256 1.00 12.54 H new ATOM 0 HG21 VAL A 901 -11.494 -18.188 2.295 1.00 63.03 H new ATOM 0 HG22 VAL A 901 -10.907 -16.576 2.769 1.00 63.03 H new ATOM 0 HG23 VAL A 901 -9.908 -17.616 1.726 1.00 63.03 H new ATOM 1784 N GLN A 902 -7.627 -17.351 6.351 1.00 24.10 N ATOM 1785 CA GLN A 902 -6.857 -17.872 7.468 1.00 42.00 C ATOM 1786 C GLN A 902 -7.788 -18.494 8.510 1.00 32.22 C ATOM 1787 O GLN A 902 -8.930 -18.064 8.663 1.00 75.14 O ATOM 1788 CB GLN A 902 -5.988 -16.778 8.092 1.00 20.44 C ATOM 1789 CG GLN A 902 -6.851 -15.708 8.764 1.00 75.45 C ATOM 1790 CD GLN A 902 -5.997 -14.528 9.231 1.00 31.54 C ATOM 1791 OE1 GLN A 902 -6.166 -13.398 8.803 1.00 23.44 O ATOM 1792 NE2 GLN A 902 -5.073 -14.853 10.132 1.00 53.34 N ATOM 0 H GLN A 902 -7.939 -16.386 6.461 1.00 24.10 H new ATOM 0 HA GLN A 902 -6.191 -18.650 7.094 1.00 42.00 H new ATOM 0 HB2 GLN A 902 -5.313 -17.219 8.825 1.00 20.44 H new ATOM 0 HB3 GLN A 902 -5.367 -16.319 7.323 1.00 20.44 H new ATOM 0 HG2 GLN A 902 -7.611 -15.357 8.066 1.00 75.45 H new ATOM 0 HG3 GLN A 902 -7.376 -16.141 9.616 1.00 75.45 H new ATOM 0 HE21 GLN A 902 -4.986 -15.819 10.447 1.00 53.34 H new ATOM 0 HE22 GLN A 902 -4.452 -14.136 10.507 1.00 53.34 H new ATOM 1801 N THR A 903 -7.265 -19.497 9.201 1.00 55.22 N ATOM 1802 CA THR A 903 -8.036 -20.182 10.224 1.00 20.53 C ATOM 1803 C THR A 903 -7.107 -20.760 11.294 1.00 61.22 C ATOM 1804 O THR A 903 -5.945 -21.054 11.019 1.00 44.15 O ATOM 1805 CB THR A 903 -8.901 -21.240 9.536 1.00 54.32 C ATOM 1806 OG1 THR A 903 -9.886 -20.482 8.838 1.00 12.25 O ATOM 1807 CG2 THR A 903 -9.710 -22.074 10.532 1.00 65.24 C ATOM 0 H THR A 903 -6.317 -19.851 9.072 1.00 55.22 H new ATOM 0 HA THR A 903 -8.697 -19.492 10.749 1.00 20.53 H new ATOM 0 HB THR A 903 -8.266 -21.898 8.943 1.00 54.32 H new ATOM 0 HG1 THR A 903 -9.789 -19.533 9.064 1.00 12.25 H new ATOM 0 HG21 THR A 903 -10.306 -22.809 9.991 1.00 65.24 H new ATOM 0 HG22 THR A 903 -9.031 -22.587 11.213 1.00 65.24 H new ATOM 0 HG23 THR A 903 -10.370 -21.420 11.102 1.00 65.24 H new ATOM 1815 N LEU A 904 -7.654 -20.906 12.492 1.00 52.25 N ATOM 1816 CA LEU A 904 -6.889 -21.443 13.604 1.00 60.13 C ATOM 1817 C LEU A 904 -7.746 -22.458 14.364 1.00 43.33 C ATOM 1818 O LEU A 904 -8.811 -22.116 14.875 1.00 20.52 O ATOM 1819 CB LEU A 904 -6.353 -20.311 14.482 1.00 42.31 C ATOM 1820 CG LEU A 904 -7.108 -18.983 14.399 1.00 12.32 C ATOM 1821 CD1 LEU A 904 -8.429 -19.054 15.169 1.00 65.22 C ATOM 1822 CD2 LEU A 904 -6.231 -17.822 14.873 1.00 63.40 C ATOM 0 H LEU A 904 -8.618 -20.662 12.717 1.00 52.25 H new ATOM 0 HA LEU A 904 -6.011 -21.976 13.240 1.00 60.13 H new ATOM 0 HB2 LEU A 904 -6.362 -20.647 15.519 1.00 42.31 H new ATOM 0 HB3 LEU A 904 -5.312 -20.132 14.214 1.00 42.31 H new ATOM 0 HG LEU A 904 -7.353 -18.795 13.354 1.00 12.32 H new ATOM 0 HD11 LEU A 904 -8.946 -18.097 15.094 1.00 65.22 H new ATOM 0 HD12 LEU A 904 -9.055 -19.839 14.745 1.00 65.22 H new ATOM 0 HD13 LEU A 904 -8.228 -19.276 16.217 1.00 65.22 H new ATOM 0 HD21 LEU A 904 -6.792 -16.890 14.804 1.00 63.40 H new ATOM 0 HD22 LEU A 904 -5.933 -17.990 15.908 1.00 63.40 H new ATOM 0 HD23 LEU A 904 -5.342 -17.758 14.246 1.00 63.40 H new ATOM 1834 N TYR A 905 -7.248 -23.685 14.413 1.00 13.35 N ATOM 1835 CA TYR A 905 -7.955 -24.751 15.102 1.00 21.33 C ATOM 1836 C TYR A 905 -7.308 -25.052 16.456 1.00 72.51 C ATOM 1837 O TYR A 905 -6.247 -24.518 16.773 1.00 23.33 O ATOM 1838 CB TYR A 905 -7.833 -25.985 14.206 1.00 23.43 C ATOM 1839 CG TYR A 905 -8.319 -25.764 12.773 1.00 44.14 C ATOM 1840 CD1 TYR A 905 -9.567 -25.223 12.543 1.00 54.21 C ATOM 1841 CD2 TYR A 905 -7.508 -26.105 11.709 1.00 73.21 C ATOM 1842 CE1 TYR A 905 -10.025 -25.014 11.194 1.00 63.45 C ATOM 1843 CE2 TYR A 905 -7.966 -25.897 10.359 1.00 4.35 C ATOM 1844 CZ TYR A 905 -9.201 -25.362 10.168 1.00 12.54 C ATOM 1845 OH TYR A 905 -9.633 -25.165 8.894 1.00 52.31 O ATOM 0 H TYR A 905 -6.364 -23.964 13.987 1.00 13.35 H new ATOM 0 HA TYR A 905 -8.992 -24.468 15.286 1.00 21.33 H new ATOM 0 HB2 TYR A 905 -6.790 -26.301 14.180 1.00 23.43 H new ATOM 0 HB3 TYR A 905 -8.403 -26.801 14.650 1.00 23.43 H new ATOM 0 HD1 TYR A 905 -10.201 -24.956 13.376 1.00 54.21 H new ATOM 0 HD2 TYR A 905 -6.530 -26.528 11.889 1.00 73.21 H new ATOM 0 HE1 TYR A 905 -11.000 -24.591 11.001 1.00 63.45 H new ATOM 0 HE2 TYR A 905 -7.342 -26.160 9.518 1.00 4.35 H new ATOM 0 HH TYR A 905 -8.941 -25.458 8.265 1.00 52.31 H new ATOM 1855 N SER A 906 -7.975 -25.907 17.217 1.00 34.14 N ATOM 1856 CA SER A 906 -7.479 -26.286 18.529 1.00 0.25 C ATOM 1857 C SER A 906 -7.645 -27.793 18.737 1.00 44.42 C ATOM 1858 O SER A 906 -7.766 -28.257 19.869 1.00 35.40 O ATOM 1859 CB SER A 906 -8.203 -25.515 19.636 1.00 64.25 C ATOM 1860 OG SER A 906 -7.363 -25.287 20.764 1.00 33.54 O ATOM 0 H SER A 906 -8.855 -26.348 16.950 1.00 34.14 H new ATOM 0 HA SER A 906 -6.420 -26.033 18.580 1.00 0.25 H new ATOM 0 HB2 SER A 906 -8.551 -24.559 19.244 1.00 64.25 H new ATOM 0 HB3 SER A 906 -9.086 -26.072 19.948 1.00 64.25 H new ATOM 0 HG SER A 906 -7.861 -24.791 21.447 1.00 33.54 H new ATOM 1866 N LYS A 907 -7.644 -28.514 17.625 1.00 24.05 N ATOM 1867 CA LYS A 907 -7.792 -29.959 17.671 1.00 52.20 C ATOM 1868 C LYS A 907 -7.230 -30.566 16.384 1.00 52.31 C ATOM 1869 O LYS A 907 -7.570 -30.126 15.286 1.00 22.33 O ATOM 1870 CB LYS A 907 -9.248 -30.339 17.946 1.00 75.24 C ATOM 1871 CG LYS A 907 -9.347 -31.755 18.517 1.00 21.12 C ATOM 1872 CD LYS A 907 -9.281 -31.735 20.046 1.00 74.04 C ATOM 1873 CE LYS A 907 -7.859 -31.446 20.530 1.00 60.43 C ATOM 1874 NZ LYS A 907 -7.686 -31.899 21.928 1.00 25.11 N ATOM 0 H LYS A 907 -7.543 -28.125 16.688 1.00 24.05 H new ATOM 0 HA LYS A 907 -7.216 -30.375 18.498 1.00 52.20 H new ATOM 0 HB2 LYS A 907 -9.687 -29.629 18.647 1.00 75.24 H new ATOM 0 HB3 LYS A 907 -9.825 -30.274 17.024 1.00 75.24 H new ATOM 0 HG2 LYS A 907 -10.281 -32.216 18.196 1.00 21.12 H new ATOM 0 HG3 LYS A 907 -8.537 -32.368 18.122 1.00 21.12 H new ATOM 0 HD2 LYS A 907 -9.962 -30.977 20.433 1.00 74.04 H new ATOM 0 HD3 LYS A 907 -9.615 -32.695 20.440 1.00 74.04 H new ATOM 0 HE2 LYS A 907 -7.139 -31.951 19.886 1.00 60.43 H new ATOM 0 HE3 LYS A 907 -7.654 -30.378 20.460 1.00 60.43 H new ATOM 0 HZ1 LYS A 907 -6.715 -31.696 22.241 1.00 25.11 H new ATOM 0 HZ2 LYS A 907 -8.360 -31.398 22.541 1.00 25.11 H new ATOM 0 HZ3 LYS A 907 -7.861 -32.923 21.985 1.00 25.11 H new ATOM 1887 N TRP A 908 -6.380 -31.566 16.561 1.00 30.23 N ATOM 1888 CA TRP A 908 -5.768 -32.238 15.428 1.00 43.04 C ATOM 1889 C TRP A 908 -6.886 -32.835 14.571 1.00 31.44 C ATOM 1890 O TRP A 908 -6.705 -33.058 13.375 1.00 35.44 O ATOM 1891 CB TRP A 908 -4.749 -33.281 15.893 1.00 52.52 C ATOM 1892 CG TRP A 908 -3.709 -32.739 16.875 1.00 2.03 C ATOM 1893 CD1 TRP A 908 -2.821 -31.755 16.677 1.00 22.14 C ATOM 1894 CD2 TRP A 908 -3.483 -33.194 18.226 1.00 30.11 C ATOM 1895 NE1 TRP A 908 -2.042 -31.544 17.797 1.00 13.52 N ATOM 1896 CE2 TRP A 908 -2.458 -32.446 18.769 1.00 71.41 C ATOM 1897 CE3 TRP A 908 -4.124 -34.204 18.965 1.00 30.00 C ATOM 1898 CZ2 TRP A 908 -1.983 -32.630 20.073 1.00 1.40 C ATOM 1899 CZ3 TRP A 908 -3.637 -34.375 20.267 1.00 54.33 C ATOM 1900 CH2 TRP A 908 -2.606 -33.630 20.828 1.00 74.42 C ATOM 0 H TRP A 908 -6.100 -31.927 17.473 1.00 30.23 H new ATOM 0 HA TRP A 908 -5.204 -31.531 14.820 1.00 43.04 H new ATOM 0 HB2 TRP A 908 -5.280 -34.109 16.362 1.00 52.52 H new ATOM 0 HB3 TRP A 908 -4.235 -33.685 15.021 1.00 52.52 H new ATOM 0 HD1 TRP A 908 -2.727 -31.197 15.757 1.00 22.14 H new ATOM 0 HE1 TRP A 908 -1.298 -30.853 17.893 1.00 13.52 H new ATOM 0 HE3 TRP A 908 -4.928 -34.801 18.561 1.00 30.00 H new ATOM 0 HZ2 TRP A 908 -1.179 -32.032 20.475 1.00 1.40 H new ATOM 0 HZ3 TRP A 908 -4.094 -35.139 20.878 1.00 54.33 H new ATOM 0 HH2 TRP A 908 -2.287 -33.822 21.842 1.00 74.42 H new ATOM 1911 N LYS A 909 -8.017 -33.077 15.217 1.00 33.45 N ATOM 1912 CA LYS A 909 -9.165 -33.645 14.530 1.00 10.42 C ATOM 1913 C LYS A 909 -9.534 -32.754 13.343 1.00 54.45 C ATOM 1914 O LYS A 909 -10.227 -33.192 12.425 1.00 3.40 O ATOM 1915 CB LYS A 909 -10.318 -33.872 15.510 1.00 23.12 C ATOM 1916 CG LYS A 909 -11.205 -32.630 15.611 1.00 0.31 C ATOM 1917 CD LYS A 909 -12.292 -32.817 16.672 1.00 41.25 C ATOM 1918 CE LYS A 909 -12.882 -31.470 17.095 1.00 22.35 C ATOM 1919 NZ LYS A 909 -14.239 -31.653 17.658 1.00 43.14 N ATOM 0 H LYS A 909 -8.163 -32.890 16.209 1.00 33.45 H new ATOM 0 HA LYS A 909 -8.921 -34.628 14.128 1.00 10.42 H new ATOM 0 HB2 LYS A 909 -10.915 -34.724 15.184 1.00 23.12 H new ATOM 0 HB3 LYS A 909 -9.920 -34.120 16.494 1.00 23.12 H new ATOM 0 HG2 LYS A 909 -10.594 -31.762 15.860 1.00 0.31 H new ATOM 0 HG3 LYS A 909 -11.666 -32.429 14.644 1.00 0.31 H new ATOM 0 HD2 LYS A 909 -13.082 -33.457 16.280 1.00 41.25 H new ATOM 0 HD3 LYS A 909 -11.873 -33.324 17.541 1.00 41.25 H new ATOM 0 HE2 LYS A 909 -12.235 -30.999 17.835 1.00 22.35 H new ATOM 0 HE3 LYS A 909 -12.925 -30.799 16.237 1.00 22.35 H new ATOM 0 HZ1 LYS A 909 -14.625 -30.730 17.940 1.00 43.14 H new ATOM 0 HZ2 LYS A 909 -14.857 -32.082 16.941 1.00 43.14 H new ATOM 0 HZ3 LYS A 909 -14.189 -32.276 18.489 1.00 43.14 H new ATOM 1932 N ASP A 910 -9.056 -31.519 13.398 1.00 21.44 N ATOM 1933 CA ASP A 910 -9.327 -30.563 12.339 1.00 52.13 C ATOM 1934 C ASP A 910 -8.170 -30.575 11.338 1.00 4.23 C ATOM 1935 O ASP A 910 -7.949 -29.596 10.627 1.00 11.20 O ATOM 1936 CB ASP A 910 -9.455 -29.144 12.897 1.00 70.12 C ATOM 1937 CG ASP A 910 -10.348 -29.013 14.133 1.00 63.45 C ATOM 1938 OD1 ASP A 910 -9.874 -28.686 15.231 1.00 70.42 O ATOM 1939 OD2 ASP A 910 -11.597 -29.266 13.932 1.00 24.41 O ATOM 0 H ASP A 910 -8.482 -31.159 14.161 1.00 21.44 H new ATOM 0 HA ASP A 910 -10.264 -30.848 11.860 1.00 52.13 H new ATOM 0 HB2 ASP A 910 -8.459 -28.777 13.146 1.00 70.12 H new ATOM 0 HB3 ASP A 910 -9.847 -28.496 12.114 1.00 70.12 H new ATOM 1945 N PHE A 911 -7.461 -31.694 11.316 1.00 42.15 N ATOM 1946 CA PHE A 911 -6.331 -31.846 10.414 1.00 34.30 C ATOM 1947 C PHE A 911 -6.804 -32.058 8.974 1.00 23.43 C ATOM 1948 O PHE A 911 -7.732 -32.827 8.729 1.00 60.23 O ATOM 1949 CB PHE A 911 -5.557 -33.084 10.872 1.00 75.01 C ATOM 1950 CG PHE A 911 -4.415 -32.780 11.844 1.00 54.43 C ATOM 1951 CD1 PHE A 911 -4.405 -31.609 12.536 1.00 53.24 C ATOM 1952 CD2 PHE A 911 -3.411 -33.680 12.015 1.00 5.33 C ATOM 1953 CE1 PHE A 911 -3.345 -31.326 13.437 1.00 34.34 C ATOM 1954 CE2 PHE A 911 -2.351 -33.397 12.917 1.00 24.21 C ATOM 1955 CZ PHE A 911 -2.340 -32.226 13.609 1.00 34.41 C ATOM 0 H PHE A 911 -7.647 -32.504 11.908 1.00 42.15 H new ATOM 0 HA PHE A 911 -5.713 -30.948 10.437 1.00 34.30 H new ATOM 0 HB2 PHE A 911 -6.250 -33.778 11.348 1.00 75.01 H new ATOM 0 HB3 PHE A 911 -5.150 -33.590 9.996 1.00 75.01 H new ATOM 0 HD1 PHE A 911 -5.203 -30.895 12.400 1.00 53.24 H new ATOM 0 HD2 PHE A 911 -3.419 -34.610 11.465 1.00 5.33 H new ATOM 0 HE1 PHE A 911 -3.337 -30.396 13.986 1.00 34.34 H new ATOM 0 HE2 PHE A 911 -1.553 -34.112 13.054 1.00 24.21 H new ATOM 0 HZ PHE A 911 -1.534 -32.011 14.295 1.00 34.41 H new ATOM 1965 N HIS A 912 -6.143 -31.363 8.060 1.00 33.11 N ATOM 1966 CA HIS A 912 -6.484 -31.466 6.651 1.00 0.33 C ATOM 1967 C HIS A 912 -5.213 -31.697 5.831 1.00 10.15 C ATOM 1968 O HIS A 912 -5.229 -31.576 4.607 1.00 21.35 O ATOM 1969 CB HIS A 912 -7.271 -30.237 6.192 1.00 44.42 C ATOM 1970 CG HIS A 912 -7.975 -30.418 4.868 1.00 5.40 C ATOM 1971 ND1 HIS A 912 -8.835 -31.471 4.615 1.00 72.35 N ATOM 1972 CD2 HIS A 912 -7.937 -29.668 3.729 1.00 71.31 C ATOM 1973 CE1 HIS A 912 -9.289 -31.352 3.375 1.00 24.24 C ATOM 1974 NE2 HIS A 912 -8.730 -30.234 2.828 1.00 74.50 N ATOM 0 H HIS A 912 -5.373 -30.727 8.267 1.00 33.11 H new ATOM 0 HA HIS A 912 -7.137 -32.324 6.493 1.00 0.33 H new ATOM 0 HB2 HIS A 912 -8.010 -29.986 6.953 1.00 44.42 H new ATOM 0 HB3 HIS A 912 -6.590 -29.389 6.117 1.00 44.42 H new ATOM 0 HD2 HIS A 912 -7.360 -28.767 3.585 1.00 71.31 H new ATOM 0 HE1 HIS A 912 -9.980 -32.022 2.884 1.00 24.24 H new ATOM 0 HE2 HIS A 912 -8.895 -29.890 1.882 1.00 74.50 H new ATOM 1982 N PHE A 913 -4.142 -32.025 6.539 1.00 33.14 N ATOM 1983 CA PHE A 913 -2.865 -32.274 5.893 1.00 71.32 C ATOM 1984 C PHE A 913 -2.757 -33.730 5.436 1.00 62.44 C ATOM 1985 O PHE A 913 -3.729 -34.481 5.507 1.00 43.03 O ATOM 1986 CB PHE A 913 -1.776 -31.996 6.931 1.00 54.20 C ATOM 1987 CG PHE A 913 -1.559 -30.509 7.221 1.00 23.30 C ATOM 1988 CD1 PHE A 913 -2.594 -29.743 7.658 1.00 22.11 C ATOM 1989 CD2 PHE A 913 -0.330 -29.954 7.042 1.00 71.31 C ATOM 1990 CE1 PHE A 913 -2.392 -28.364 7.927 1.00 2.44 C ATOM 1991 CE2 PHE A 913 -0.128 -28.575 7.311 1.00 11.11 C ATOM 1992 CZ PHE A 913 -1.163 -27.809 7.748 1.00 12.42 C ATOM 0 H PHE A 913 -4.133 -32.124 7.554 1.00 33.14 H new ATOM 0 HA PHE A 913 -2.762 -31.636 5.015 1.00 71.32 H new ATOM 0 HB2 PHE A 913 -2.036 -32.503 7.860 1.00 54.20 H new ATOM 0 HB3 PHE A 913 -0.838 -32.429 6.583 1.00 54.20 H new ATOM 0 HD1 PHE A 913 -3.570 -30.184 7.800 1.00 22.11 H new ATOM 0 HD2 PHE A 913 0.492 -30.563 6.695 1.00 71.31 H new ATOM 0 HE1 PHE A 913 -3.214 -27.755 8.274 1.00 2.44 H new ATOM 0 HE2 PHE A 913 0.848 -28.134 7.169 1.00 11.11 H new ATOM 0 HZ PHE A 913 -1.009 -26.760 7.953 1.00 12.42 H new ATOM 2002 N GLU A 914 -1.566 -34.086 4.976 1.00 30.04 N ATOM 2003 CA GLU A 914 -1.318 -35.439 4.508 1.00 51.13 C ATOM 2004 C GLU A 914 0.000 -35.965 5.079 1.00 61.33 C ATOM 2005 O GLU A 914 0.972 -35.220 5.196 1.00 73.05 O ATOM 2006 CB GLU A 914 -1.316 -35.498 2.979 1.00 43.31 C ATOM 2007 CG GLU A 914 -0.081 -34.799 2.405 1.00 31.33 C ATOM 2008 CD GLU A 914 -0.391 -34.164 1.048 1.00 34.14 C ATOM 2009 OE1 GLU A 914 -1.275 -33.299 0.956 1.00 2.24 O ATOM 2010 OE2 GLU A 914 0.324 -34.599 0.067 1.00 53.24 O ATOM 0 H GLU A 914 -0.762 -33.461 4.918 1.00 30.04 H new ATOM 0 HA GLU A 914 -2.126 -36.079 4.863 1.00 51.13 H new ATOM 0 HB2 GLU A 914 -1.335 -36.537 2.652 1.00 43.31 H new ATOM 0 HB3 GLU A 914 -2.219 -35.025 2.592 1.00 43.31 H new ATOM 0 HG2 GLU A 914 0.263 -34.032 3.099 1.00 31.33 H new ATOM 0 HG3 GLU A 914 0.731 -35.518 2.297 1.00 31.33 H new ATOM 2018 N LYS A 915 -0.009 -37.246 5.419 1.00 2.44 N ATOM 2019 CA LYS A 915 1.174 -37.880 5.975 1.00 22.44 C ATOM 2020 C LYS A 915 2.287 -37.884 4.925 1.00 32.22 C ATOM 2021 O LYS A 915 2.196 -38.591 3.922 1.00 4.34 O ATOM 2022 CB LYS A 915 0.833 -39.271 6.515 1.00 53.14 C ATOM 2023 CG LYS A 915 0.113 -40.108 5.456 1.00 75.04 C ATOM 2024 CD LYS A 915 0.384 -41.600 5.658 1.00 64.01 C ATOM 2025 CE LYS A 915 -0.641 -42.220 6.609 1.00 31.11 C ATOM 2026 NZ LYS A 915 -0.349 -43.655 6.823 1.00 65.14 N ATOM 0 H LYS A 915 -0.816 -37.861 5.320 1.00 2.44 H new ATOM 0 HA LYS A 915 1.544 -37.313 6.830 1.00 22.44 H new ATOM 0 HB2 LYS A 915 1.746 -39.778 6.826 1.00 53.14 H new ATOM 0 HB3 LYS A 915 0.203 -39.177 7.400 1.00 53.14 H new ATOM 0 HG2 LYS A 915 -0.959 -39.920 5.506 1.00 75.04 H new ATOM 0 HG3 LYS A 915 0.444 -39.806 4.462 1.00 75.04 H new ATOM 0 HD2 LYS A 915 0.350 -42.113 4.697 1.00 64.01 H new ATOM 0 HD3 LYS A 915 1.388 -41.740 6.059 1.00 64.01 H new ATOM 0 HE2 LYS A 915 -0.625 -41.694 7.563 1.00 31.11 H new ATOM 0 HE3 LYS A 915 -1.644 -42.104 6.198 1.00 31.11 H new ATOM 0 HZ1 LYS A 915 -1.054 -44.060 7.471 1.00 65.14 H new ATOM 0 HZ2 LYS A 915 -0.387 -44.156 5.913 1.00 65.14 H new ATOM 0 HZ3 LYS A 915 0.600 -43.758 7.236 1.00 65.14 H new ATOM 2039 N ILE A 916 3.311 -37.087 5.192 1.00 51.24 N ATOM 2040 CA ILE A 916 4.440 -36.989 4.282 1.00 32.40 C ATOM 2041 C ILE A 916 5.718 -37.399 5.017 1.00 71.04 C ATOM 2042 O ILE A 916 5.894 -37.076 6.190 1.00 3.03 O ATOM 2043 CB ILE A 916 4.508 -35.593 3.661 1.00 44.22 C ATOM 2044 CG1 ILE A 916 3.218 -35.264 2.907 1.00 30.11 C ATOM 2045 CG2 ILE A 916 5.745 -35.449 2.771 1.00 54.32 C ATOM 2046 CD1 ILE A 916 3.041 -33.752 2.757 1.00 50.22 C ATOM 0 H ILE A 916 3.383 -36.503 6.025 1.00 51.24 H new ATOM 0 HA ILE A 916 4.317 -37.678 3.446 1.00 32.40 H new ATOM 0 HB ILE A 916 4.604 -34.865 4.467 1.00 44.22 H new ATOM 0 HG12 ILE A 916 3.239 -35.731 1.922 1.00 30.11 H new ATOM 0 HG13 ILE A 916 2.364 -35.683 3.440 1.00 30.11 H new ATOM 0 HG21 ILE A 916 5.770 -34.447 2.342 1.00 54.32 H new ATOM 0 HG22 ILE A 916 6.643 -35.610 3.367 1.00 54.32 H new ATOM 0 HG23 ILE A 916 5.704 -36.186 1.969 1.00 54.32 H new ATOM 0 HD11 ILE A 916 2.117 -33.546 2.218 1.00 50.22 H new ATOM 0 HD12 ILE A 916 2.996 -33.291 3.744 1.00 50.22 H new ATOM 0 HD13 ILE A 916 3.884 -33.340 2.203 1.00 50.22 H new ATOM 2058 N PRO A 917 6.599 -38.123 4.276 1.00 24.12 N ATOM 2059 CA PRO A 917 7.856 -38.580 4.845 1.00 70.43 C ATOM 2060 C PRO A 917 8.854 -37.427 4.968 1.00 32.13 C ATOM 2061 O PRO A 917 8.938 -36.577 4.084 1.00 53.44 O ATOM 2062 CB PRO A 917 8.333 -39.681 3.911 1.00 12.02 C ATOM 2063 CG PRO A 917 7.571 -39.484 2.611 1.00 50.53 C ATOM 2064 CD PRO A 917 6.424 -38.524 2.883 1.00 31.34 C ATOM 0 HA PRO A 917 7.745 -38.958 5.861 1.00 70.43 H new ATOM 0 HB2 PRO A 917 9.409 -39.615 3.747 1.00 12.02 H new ATOM 0 HB3 PRO A 917 8.135 -40.666 4.335 1.00 12.02 H new ATOM 0 HG2 PRO A 917 8.229 -39.084 1.840 1.00 50.53 H new ATOM 0 HG3 PRO A 917 7.192 -40.437 2.243 1.00 50.53 H new ATOM 0 HD2 PRO A 917 6.461 -37.663 2.215 1.00 31.34 H new ATOM 0 HD3 PRO A 917 5.459 -39.006 2.728 1.00 31.34 H new ATOM 2072 N PHE A 918 9.585 -37.436 6.073 1.00 43.51 N ATOM 2073 CA PHE A 918 10.574 -36.401 6.324 1.00 42.24 C ATOM 2074 C PHE A 918 11.915 -36.756 5.679 1.00 63.35 C ATOM 2075 O PHE A 918 12.555 -37.733 6.066 1.00 3.42 O ATOM 2076 CB PHE A 918 10.758 -36.316 7.840 1.00 12.31 C ATOM 2077 CG PHE A 918 11.246 -34.952 8.332 1.00 12.51 C ATOM 2078 CD1 PHE A 918 12.141 -34.242 7.593 1.00 33.43 C ATOM 2079 CD2 PHE A 918 10.785 -34.448 9.508 1.00 34.24 C ATOM 2080 CE1 PHE A 918 12.594 -32.976 8.050 1.00 75.50 C ATOM 2081 CE2 PHE A 918 11.237 -33.182 9.965 1.00 25.21 C ATOM 2082 CZ PHE A 918 12.132 -32.473 9.226 1.00 24.12 C ATOM 0 H PHE A 918 9.512 -38.143 6.804 1.00 43.51 H new ATOM 0 HA PHE A 918 10.237 -35.455 5.901 1.00 42.24 H new ATOM 0 HB2 PHE A 918 9.809 -36.547 8.324 1.00 12.31 H new ATOM 0 HB3 PHE A 918 11.470 -37.080 8.153 1.00 12.31 H new ATOM 0 HD1 PHE A 918 12.507 -34.641 6.659 1.00 33.43 H new ATOM 0 HD2 PHE A 918 10.074 -35.011 10.095 1.00 34.24 H new ATOM 0 HE1 PHE A 918 13.305 -32.413 7.464 1.00 75.50 H new ATOM 0 HE2 PHE A 918 10.870 -32.782 10.899 1.00 25.21 H new ATOM 0 HZ PHE A 918 12.476 -31.510 9.573 1.00 24.12 H new ATOM 2092 N ASP A 919 12.301 -35.945 4.705 1.00 0.40 N ATOM 2093 CA ASP A 919 13.554 -36.161 4.002 1.00 24.25 C ATOM 2094 C ASP A 919 14.688 -35.477 4.769 1.00 64.41 C ATOM 2095 O ASP A 919 14.555 -34.329 5.189 1.00 73.14 O ATOM 2096 CB ASP A 919 13.507 -35.563 2.595 1.00 23.30 C ATOM 2097 CG ASP A 919 13.124 -36.546 1.487 1.00 33.53 C ATOM 2098 OD1 ASP A 919 11.935 -36.794 1.236 1.00 12.24 O ATOM 2099 OD2 ASP A 919 14.119 -37.076 0.860 1.00 73.21 O ATOM 0 H ASP A 919 11.767 -35.136 4.386 1.00 0.40 H new ATOM 0 HA ASP A 919 13.720 -37.236 3.931 1.00 24.25 H new ATOM 0 HB2 ASP A 919 12.794 -34.738 2.591 1.00 23.30 H new ATOM 0 HB3 ASP A 919 14.485 -35.141 2.363 1.00 23.30 H new ATOM 2105 N PRO A 920 15.808 -36.232 4.932 1.00 2.34 N ATOM 2106 CA PRO A 920 16.965 -35.711 5.641 1.00 53.41 C ATOM 2107 C PRO A 920 17.728 -34.703 4.779 1.00 54.32 C ATOM 2108 O PRO A 920 18.606 -33.997 5.273 1.00 72.23 O ATOM 2109 CB PRO A 920 17.793 -36.935 5.997 1.00 54.34 C ATOM 2110 CG PRO A 920 17.311 -38.045 5.077 1.00 64.03 C ATOM 2111 CD PRO A 920 16.002 -37.596 4.449 1.00 42.42 C ATOM 0 HA PRO A 920 16.693 -35.156 6.539 1.00 53.41 H new ATOM 0 HB2 PRO A 920 18.856 -36.743 5.854 1.00 54.34 H new ATOM 0 HB3 PRO A 920 17.657 -37.208 7.043 1.00 54.34 H new ATOM 0 HG2 PRO A 920 18.053 -38.251 4.306 1.00 64.03 H new ATOM 0 HG3 PRO A 920 17.168 -38.969 5.637 1.00 64.03 H new ATOM 0 HD2 PRO A 920 16.054 -37.627 3.361 1.00 42.42 H new ATOM 0 HD3 PRO A 920 15.177 -38.243 4.748 1.00 42.42 H new ATOM 2119 N ALA A 921 17.364 -34.667 3.505 1.00 23.22 N ATOM 2120 CA ALA A 921 18.003 -33.757 2.570 1.00 64.32 C ATOM 2121 C ALA A 921 17.527 -32.330 2.847 1.00 73.13 C ATOM 2122 O ALA A 921 18.241 -31.368 2.568 1.00 73.12 O ATOM 2123 CB ALA A 921 17.704 -34.204 1.137 1.00 24.24 C ATOM 0 H ALA A 921 16.635 -35.253 3.099 1.00 23.22 H new ATOM 0 HA ALA A 921 19.085 -33.774 2.698 1.00 64.32 H new ATOM 0 HB1 ALA A 921 18.183 -33.521 0.435 1.00 24.24 H new ATOM 0 HB2 ALA A 921 18.089 -35.212 0.983 1.00 24.24 H new ATOM 0 HB3 ALA A 921 16.627 -34.197 0.971 1.00 24.24 H new ATOM 2129 N GLU A 922 16.323 -32.238 3.392 1.00 12.13 N ATOM 2130 CA GLU A 922 15.742 -30.944 3.710 1.00 23.31 C ATOM 2131 C GLU A 922 16.253 -30.452 5.066 1.00 41.24 C ATOM 2132 O GLU A 922 16.712 -29.317 5.185 1.00 52.20 O ATOM 2133 CB GLU A 922 14.214 -31.010 3.691 1.00 11.30 C ATOM 2134 CG GLU A 922 13.714 -31.810 2.486 1.00 2.52 C ATOM 2135 CD GLU A 922 12.780 -30.965 1.617 1.00 64.13 C ATOM 2136 OE1 GLU A 922 13.241 -30.303 0.675 1.00 54.40 O ATOM 2137 OE2 GLU A 922 11.535 -31.014 1.948 1.00 75.01 O ATOM 0 H GLU A 922 15.734 -33.038 3.622 1.00 12.13 H new ATOM 0 HA GLU A 922 16.051 -30.231 2.946 1.00 23.31 H new ATOM 0 HB2 GLU A 922 13.855 -31.470 4.612 1.00 11.30 H new ATOM 0 HB3 GLU A 922 13.803 -30.001 3.658 1.00 11.30 H new ATOM 0 HG2 GLU A 922 14.563 -32.148 1.892 1.00 2.52 H new ATOM 0 HG3 GLU A 922 13.190 -32.702 2.829 1.00 2.52 H new ATOM 2145 N MET A 923 16.157 -31.330 6.053 1.00 14.10 N ATOM 2146 CA MET A 923 16.603 -30.999 7.395 1.00 3.45 C ATOM 2147 C MET A 923 17.910 -30.204 7.358 1.00 2.10 C ATOM 2148 O MET A 923 18.043 -29.188 8.039 1.00 21.43 O ATOM 2149 CB MET A 923 16.811 -32.285 8.197 1.00 73.33 C ATOM 2150 CG MET A 923 15.477 -32.987 8.462 1.00 2.12 C ATOM 2151 SD MET A 923 15.706 -34.307 9.642 1.00 60.15 S ATOM 2152 CE MET A 923 14.386 -33.935 10.784 1.00 51.32 C ATOM 0 H MET A 923 15.777 -32.271 5.950 1.00 14.10 H new ATOM 0 HA MET A 923 15.838 -30.384 7.870 1.00 3.45 H new ATOM 0 HB2 MET A 923 17.476 -32.954 7.652 1.00 73.33 H new ATOM 0 HB3 MET A 923 17.298 -32.053 9.144 1.00 73.33 H new ATOM 0 HG2 MET A 923 14.749 -32.271 8.842 1.00 2.12 H new ATOM 0 HG3 MET A 923 15.075 -33.386 7.531 1.00 2.12 H new ATOM 0 HE1 MET A 923 14.737 -34.079 11.806 1.00 51.32 H new ATOM 0 HE2 MET A 923 14.071 -32.900 10.651 1.00 51.32 H new ATOM 0 HE3 MET A 923 13.542 -34.598 10.594 1.00 51.32 H new ATOM 2162 N SER A 924 18.842 -30.696 6.555 1.00 21.32 N ATOM 2163 CA SER A 924 20.134 -30.045 6.420 1.00 52.20 C ATOM 2164 C SER A 924 19.949 -28.528 6.336 1.00 31.30 C ATOM 2165 O SER A 924 18.849 -28.047 6.066 1.00 65.43 O ATOM 2166 CB SER A 924 20.883 -30.557 5.188 1.00 32.12 C ATOM 2167 OG SER A 924 21.153 -31.954 5.270 1.00 12.03 O ATOM 0 H SER A 924 18.728 -31.538 5.991 1.00 21.32 H new ATOM 0 HA SER A 924 20.731 -30.284 7.300 1.00 52.20 H new ATOM 0 HB2 SER A 924 20.293 -30.354 4.294 1.00 32.12 H new ATOM 0 HB3 SER A 924 21.821 -30.012 5.081 1.00 32.12 H new ATOM 0 HG SER A 924 20.312 -32.454 5.215 1.00 12.03 H new ATOM 2173 N LYS A 925 21.041 -27.817 6.573 1.00 63.12 N ATOM 2174 CA LYS A 925 21.014 -26.365 6.527 1.00 35.14 C ATOM 2175 C LYS A 925 20.597 -25.911 5.127 1.00 11.21 C ATOM 2176 O LYS A 925 19.834 -24.957 4.981 1.00 1.14 O ATOM 2177 CB LYS A 925 22.354 -25.789 6.987 1.00 2.24 C ATOM 2178 CG LYS A 925 22.374 -24.266 6.845 1.00 40.50 C ATOM 2179 CD LYS A 925 23.636 -23.672 7.475 1.00 34.45 C ATOM 2180 CE LYS A 925 23.442 -23.440 8.975 1.00 32.43 C ATOM 2181 NZ LYS A 925 22.368 -22.449 9.212 1.00 22.50 N ATOM 0 H LYS A 925 21.951 -28.220 6.798 1.00 63.12 H new ATOM 0 HA LYS A 925 20.271 -25.976 7.223 1.00 35.14 H new ATOM 0 HB2 LYS A 925 22.534 -26.063 8.026 1.00 2.24 H new ATOM 0 HB3 LYS A 925 23.162 -26.223 6.398 1.00 2.24 H new ATOM 0 HG2 LYS A 925 22.328 -23.995 5.790 1.00 40.50 H new ATOM 0 HG3 LYS A 925 21.491 -23.841 7.322 1.00 40.50 H new ATOM 0 HD2 LYS A 925 24.479 -24.344 7.313 1.00 34.45 H new ATOM 0 HD3 LYS A 925 23.882 -22.729 6.986 1.00 34.45 H new ATOM 0 HE2 LYS A 925 23.191 -24.381 9.465 1.00 32.43 H new ATOM 0 HE3 LYS A 925 24.374 -23.088 9.418 1.00 32.43 H new ATOM 0 HZ1 LYS A 925 22.554 -21.942 10.101 1.00 22.50 H new ATOM 0 HZ2 LYS A 925 22.342 -21.770 8.425 1.00 22.50 H new ATOM 0 HZ3 LYS A 925 21.453 -22.938 9.277 1.00 22.50 H new TER 2194 LYS A 925