USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1094 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 814 LYS NZ :NH3+ -105:sc= 0.299 (180deg=-0.262) USER MOD Set 1.2: A 902 GLN : amide:sc= -1.13 K(o=-0.83,f=-5.1!) USER MOD Set 2.1: A 868 ASN :FLIP amide:sc= -0.826 F(o=-6.5,f=-5) USER MOD Set 2.2: A 871 HIS :FLIP no HD1:sc= -4.22 F(o=-6.3!,f=-5) USER MOD Set 3.1: A 798 LYS NZ :NH3+ -117:sc= -0.586 (180deg=-1.29!) USER MOD Set 3.2: A 807 LYS NZ :NH3+ -125:sc= 0.341 (180deg=0) USER MOD Set 3.3: A 819 TYR OH : rot 165:sc= 0.0534 USER MOD Single : A 793 SER OG : rot 180:sc= 0 USER MOD Single : A 794 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 796 LYS NZ :NH3+ 153:sc= -0.374 (180deg=-1.97!) USER MOD Single : A 803 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 805 ASN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 806 LYS NZ :NH3+ -145:sc= -0.991 (180deg=-2.75!) USER MOD Single : A 810 CYS SG : rot 167:sc= 0.394 USER MOD Single : A 812 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 CYS SG : rot 180:sc= 0 USER MOD Single : A 818 CYS SG : rot -67:sc= -0.182 USER MOD Single : A 820 THR OG1 : rot 121:sc= 1.25 USER MOD Single : A 829 CYS SG : rot 22:sc= 0.0466 USER MOD Single : A 830 HIS :FLIP no HD1:sc= -7.49! C(o=-11!,f=-7.5!) USER MOD Single : A 831 TYR OH : rot 30:sc= -0.0171 USER MOD Single : A 832 THR OG1 : rot 160:sc= -0.454 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 CYS SG : rot -43:sc= -1.15 USER MOD Single : A 844 SER OG : rot 180:sc= 0 USER MOD Single : A 847 HIS : no HD1:sc= -2.46! C(o=-2.5!,f=-3.1!) USER MOD Single : A 849 LYS NZ :NH3+ -162:sc= -0.0114 (180deg=-0.207) USER MOD Single : A 851 LYS NZ :NH3+ -153:sc= 0.031 (180deg=0) USER MOD Single : A 852 GLN : amide:sc= -0.55 K(o=-0.55,f=-1.2) USER MOD Single : A 854 SER OG : rot 41:sc= 0.818 USER MOD Single : A 855 SER OG : rot 180:sc= 0.037 USER MOD Single : A 858 LYS NZ :NH3+ 155:sc= -0.236 (180deg=-2.41!) USER MOD Single : A 861 LYS NZ :NH3+ -157:sc= -1.68! (180deg=-3.03!) USER MOD Single : A 864 CYS SG : rot 56:sc= -1.77 USER MOD Single : A 867 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 869 CYS SG : rot 180:sc= 0 USER MOD Single : A 870 SER OG : rot 180:sc= 0 USER MOD Single : A 876 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 878 LYS NZ :NH3+ -150:sc= -0.579 (180deg=-2!) 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 123:sc= 2.02 USER MOD Single : A 888 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00195) USER MOD Single : A 891 SER OG : rot 130:sc= 0 USER MOD Single : A 899 THR OG1 : rot 160:sc= -3.33! USER MOD Single : A 903 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 905 TYR OH : rot 180:sc= 0 USER MOD Single : A 906 SER OG : rot 180:sc= -0.0579 USER MOD Single : A 907 LYS NZ :NH3+ -114:sc= -0.166 (180deg=-0.426) USER MOD Single : A 909 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 912 HIS : no HE2:sc= 0.753 K(o=0.75,f=-4.3!) USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 MET CE :methyl 136:sc= -4.38! (180deg=-7.28!) USER MOD Single : A 924 SER OG : rot 180:sc= 0.038 USER MOD Single : A 925 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA ASP A 792 2.073 0.000 -1.246 1.00 3.05 C ATOM 3 C ASP A 792 1.680 -1.226 -2.072 1.00 54.20 C ATOM 4 O ASP A 792 2.537 -2.015 -2.465 1.00 70.33 O ATOM 5 CB ASP A 792 3.579 -0.070 -0.983 1.00 71.33 C ATOM 6 CG ASP A 792 4.460 0.395 -2.145 1.00 30.35 C ATOM 7 OD1 ASP A 792 4.753 1.592 -2.285 1.00 34.54 O ATOM 8 OD2 ASP A 792 4.856 -0.542 -2.937 1.00 65.54 O ATOM 0 HA ASP A 792 1.842 0.922 -1.779 1.00 3.05 H new ATOM 0 HB2 ASP A 792 3.808 0.537 -0.107 1.00 71.33 H new ATOM 0 HB3 ASP A 792 3.842 -1.098 -0.736 1.00 71.33 H new ATOM 14 N SER A 793 0.382 -1.347 -2.311 1.00 40.31 N ATOM 15 CA SER A 793 -0.136 -2.463 -3.084 1.00 22.13 C ATOM 16 C SER A 793 0.445 -3.777 -2.558 1.00 64.34 C ATOM 17 O SER A 793 1.193 -4.455 -3.262 1.00 41.20 O ATOM 18 CB SER A 793 0.183 -2.299 -4.571 1.00 2.50 C ATOM 19 OG SER A 793 -0.508 -1.193 -5.146 1.00 72.11 O ATOM 0 H SER A 793 -0.326 -0.690 -1.983 1.00 40.31 H new ATOM 0 HA SER A 793 -1.220 -2.482 -2.973 1.00 22.13 H new ATOM 0 HB2 SER A 793 1.257 -2.162 -4.699 1.00 2.50 H new ATOM 0 HB3 SER A 793 -0.087 -3.211 -5.103 1.00 2.50 H new ATOM 0 HG SER A 793 -0.277 -1.121 -6.096 1.00 72.11 H new ATOM 25 N GLN A 794 0.080 -4.098 -1.326 1.00 74.32 N ATOM 26 CA GLN A 794 0.555 -5.319 -0.698 1.00 64.44 C ATOM 27 C GLN A 794 -0.562 -6.363 -0.653 1.00 34.11 C ATOM 28 O GLN A 794 -0.303 -7.547 -0.442 1.00 41.15 O ATOM 29 CB GLN A 794 1.101 -5.039 0.703 1.00 12.32 C ATOM 30 CG GLN A 794 2.002 -6.180 1.180 1.00 51.24 C ATOM 31 CD GLN A 794 3.442 -5.977 0.703 1.00 13.24 C ATOM 32 OE1 GLN A 794 4.190 -5.171 1.232 1.00 52.22 O ATOM 33 NE2 GLN A 794 3.787 -6.751 -0.322 1.00 14.23 N ATOM 0 H GLN A 794 -0.540 -3.533 -0.745 1.00 74.32 H new ATOM 0 HA GLN A 794 1.373 -5.717 -1.298 1.00 64.44 H new ATOM 0 HB2 GLN A 794 1.663 -4.105 0.698 1.00 12.32 H new ATOM 0 HB3 GLN A 794 0.273 -4.909 1.400 1.00 12.32 H new ATOM 0 HG2 GLN A 794 1.980 -6.235 2.268 1.00 51.24 H new ATOM 0 HG3 GLN A 794 1.621 -7.130 0.805 1.00 51.24 H new ATOM 0 HE21 GLN A 794 3.111 -7.405 -0.717 1.00 14.23 H new ATOM 0 HE22 GLN A 794 4.727 -6.691 -0.713 1.00 14.23 H new ATOM 42 N GLU A 795 -1.782 -5.886 -0.854 1.00 32.45 N ATOM 43 CA GLU A 795 -2.940 -6.764 -0.838 1.00 55.30 C ATOM 44 C GLU A 795 -2.992 -7.597 -2.120 1.00 73.11 C ATOM 45 O GLU A 795 -3.808 -7.335 -3.003 1.00 0.14 O ATOM 46 CB GLU A 795 -4.231 -5.964 -0.651 1.00 74.14 C ATOM 47 CG GLU A 795 -5.319 -6.822 -0.002 1.00 21.30 C ATOM 48 CD GLU A 795 -5.230 -6.757 1.524 1.00 32.41 C ATOM 49 OE1 GLU A 795 -5.703 -7.674 2.212 1.00 32.31 O ATOM 50 OE2 GLU A 795 -4.643 -5.708 1.992 1.00 34.20 O ATOM 0 H GLU A 795 -1.994 -4.904 -1.029 1.00 32.45 H new ATOM 0 HA GLU A 795 -2.846 -7.443 0.009 1.00 55.30 H new ATOM 0 HB2 GLU A 795 -4.034 -5.089 -0.031 1.00 74.14 H new ATOM 0 HB3 GLU A 795 -4.579 -5.598 -1.617 1.00 74.14 H new ATOM 0 HG2 GLU A 795 -6.301 -6.478 -0.328 1.00 21.30 H new ATOM 0 HG3 GLU A 795 -5.217 -7.856 -0.332 1.00 21.30 H new ATOM 58 N LYS A 796 -2.111 -8.585 -2.182 1.00 51.40 N ATOM 59 CA LYS A 796 -2.046 -9.458 -3.341 1.00 72.14 C ATOM 60 C LYS A 796 -2.244 -10.908 -2.894 1.00 1.20 C ATOM 61 O LYS A 796 -2.065 -11.229 -1.720 1.00 55.31 O ATOM 62 CB LYS A 796 -0.747 -9.225 -4.116 1.00 33.13 C ATOM 63 CG LYS A 796 -0.839 -7.961 -4.973 1.00 74.33 C ATOM 64 CD LYS A 796 -1.341 -8.289 -6.381 1.00 71.30 C ATOM 65 CE LYS A 796 -2.809 -7.892 -6.546 1.00 52.22 C ATOM 66 NZ LYS A 796 -3.021 -6.496 -6.102 1.00 34.10 N ATOM 0 H LYS A 796 -1.436 -8.800 -1.448 1.00 51.40 H new ATOM 0 HA LYS A 796 -2.851 -9.226 -4.038 1.00 72.14 H new ATOM 0 HB2 LYS A 796 0.086 -9.136 -3.418 1.00 33.13 H new ATOM 0 HB3 LYS A 796 -0.539 -10.086 -4.752 1.00 33.13 H new ATOM 0 HG2 LYS A 796 -1.512 -7.245 -4.501 1.00 74.33 H new ATOM 0 HG3 LYS A 796 0.140 -7.486 -5.034 1.00 74.33 H new ATOM 0 HD2 LYS A 796 -0.734 -7.765 -7.119 1.00 71.30 H new ATOM 0 HD3 LYS A 796 -1.225 -9.356 -6.573 1.00 71.30 H new ATOM 0 HE2 LYS A 796 -3.105 -7.997 -7.590 1.00 52.22 H new ATOM 0 HE3 LYS A 796 -3.441 -8.564 -5.966 1.00 52.22 H new ATOM 0 HZ1 LYS A 796 -3.834 -6.090 -6.609 1.00 34.10 H new ATOM 0 HZ2 LYS A 796 -3.209 -6.482 -5.079 1.00 34.10 H new ATOM 0 HZ3 LYS A 796 -2.170 -5.934 -6.306 1.00 34.10 H new ATOM 79 N PRO A 797 -2.619 -11.767 -3.879 1.00 34.11 N ATOM 80 CA PRO A 797 -2.843 -13.175 -3.599 1.00 33.15 C ATOM 81 C PRO A 797 -1.517 -13.915 -3.411 1.00 41.44 C ATOM 82 O PRO A 797 -0.472 -13.444 -3.858 1.00 24.42 O ATOM 83 CB PRO A 797 -3.648 -13.689 -4.781 1.00 50.33 C ATOM 84 CG PRO A 797 -3.447 -12.673 -5.894 1.00 74.24 C ATOM 85 CD PRO A 797 -2.840 -11.422 -5.280 1.00 71.44 C ATOM 0 HA PRO A 797 -3.383 -13.337 -2.666 1.00 33.15 H new ATOM 0 HB2 PRO A 797 -3.305 -14.677 -5.087 1.00 50.33 H new ATOM 0 HB3 PRO A 797 -4.703 -13.783 -4.524 1.00 50.33 H new ATOM 0 HG2 PRO A 797 -2.791 -13.077 -6.665 1.00 74.24 H new ATOM 0 HG3 PRO A 797 -4.397 -12.440 -6.374 1.00 74.24 H new ATOM 0 HD2 PRO A 797 -1.906 -11.152 -5.773 1.00 71.44 H new ATOM 0 HD3 PRO A 797 -3.510 -10.568 -5.377 1.00 71.44 H new ATOM 93 N LYS A 798 -1.603 -15.060 -2.751 1.00 2.22 N ATOM 94 CA LYS A 798 -0.422 -15.869 -2.499 1.00 54.03 C ATOM 95 C LYS A 798 -0.456 -17.106 -3.399 1.00 51.12 C ATOM 96 O LYS A 798 -1.525 -17.536 -3.829 1.00 71.14 O ATOM 97 CB LYS A 798 -0.304 -16.196 -1.009 1.00 53.42 C ATOM 98 CG LYS A 798 -0.210 -14.917 -0.173 1.00 73.45 C ATOM 99 CD LYS A 798 -1.602 -14.371 0.151 1.00 51.22 C ATOM 100 CE LYS A 798 -1.586 -13.569 1.454 1.00 73.30 C ATOM 101 NZ LYS A 798 -1.108 -14.410 2.574 1.00 62.31 N ATOM 0 H LYS A 798 -2.472 -15.447 -2.383 1.00 2.22 H new ATOM 0 HA LYS A 798 0.481 -15.314 -2.752 1.00 54.03 H new ATOM 0 HB2 LYS A 798 -1.168 -16.780 -0.691 1.00 53.42 H new ATOM 0 HB3 LYS A 798 0.578 -16.813 -0.837 1.00 53.42 H new ATOM 0 HG2 LYS A 798 0.329 -15.122 0.752 1.00 73.45 H new ATOM 0 HG3 LYS A 798 0.363 -14.165 -0.716 1.00 73.45 H new ATOM 0 HD2 LYS A 798 -1.947 -13.738 -0.666 1.00 51.22 H new ATOM 0 HD3 LYS A 798 -2.310 -15.196 0.236 1.00 51.22 H new ATOM 0 HE2 LYS A 798 -0.940 -12.698 1.344 1.00 73.30 H new ATOM 0 HE3 LYS A 798 -2.587 -13.198 1.672 1.00 73.30 H new ATOM 0 HZ1 LYS A 798 -1.866 -14.513 3.279 1.00 62.31 H new ATOM 0 HZ2 LYS A 798 -0.840 -15.348 2.214 1.00 62.31 H new ATOM 0 HZ3 LYS A 798 -0.282 -13.961 3.017 1.00 62.31 H new ATOM 114 N PRO A 799 0.759 -17.657 -3.664 1.00 74.21 N ATOM 115 CA PRO A 799 0.878 -18.836 -4.505 1.00 21.00 C ATOM 116 C PRO A 799 0.433 -20.093 -3.754 1.00 51.32 C ATOM 117 O PRO A 799 0.000 -20.013 -2.606 1.00 21.25 O ATOM 118 CB PRO A 799 2.340 -18.878 -4.918 1.00 42.24 C ATOM 119 CG PRO A 799 3.079 -17.995 -3.926 1.00 24.11 C ATOM 120 CD PRO A 799 2.046 -17.175 -3.172 1.00 13.32 C ATOM 0 HA PRO A 799 0.231 -18.795 -5.381 1.00 21.00 H new ATOM 0 HB2 PRO A 799 2.723 -19.898 -4.894 1.00 42.24 H new ATOM 0 HB3 PRO A 799 2.469 -18.513 -5.937 1.00 42.24 H new ATOM 0 HG2 PRO A 799 3.662 -18.603 -3.235 1.00 24.11 H new ATOM 0 HG3 PRO A 799 3.780 -17.342 -4.445 1.00 24.11 H new ATOM 0 HD2 PRO A 799 2.137 -17.317 -2.095 1.00 13.32 H new ATOM 0 HD3 PRO A 799 2.169 -16.109 -3.364 1.00 13.32 H new ATOM 128 N VAL A 800 0.555 -21.224 -4.434 1.00 13.54 N ATOM 129 CA VAL A 800 0.170 -22.495 -3.845 1.00 63.32 C ATOM 130 C VAL A 800 1.287 -23.516 -4.074 1.00 31.15 C ATOM 131 O VAL A 800 2.002 -23.447 -5.072 1.00 12.40 O ATOM 132 CB VAL A 800 -1.178 -22.947 -4.410 1.00 63.34 C ATOM 133 CG1 VAL A 800 -0.986 -23.948 -5.551 1.00 61.44 C ATOM 134 CG2 VAL A 800 -2.065 -23.533 -3.310 1.00 62.21 C ATOM 0 H VAL A 800 0.915 -21.286 -5.386 1.00 13.54 H new ATOM 0 HA VAL A 800 0.037 -22.393 -2.768 1.00 63.32 H new ATOM 0 HB VAL A 800 -1.683 -22.070 -4.815 1.00 63.34 H new ATOM 0 HG11 VAL A 800 -1.959 -24.253 -5.935 1.00 61.44 H new ATOM 0 HG12 VAL A 800 -0.410 -23.482 -6.351 1.00 61.44 H new ATOM 0 HG13 VAL A 800 -0.451 -24.823 -5.181 1.00 61.44 H new ATOM 0 HG21 VAL A 800 -3.017 -23.846 -3.739 1.00 62.21 H new ATOM 0 HG22 VAL A 800 -1.568 -24.393 -2.862 1.00 62.21 H new ATOM 0 HG23 VAL A 800 -2.243 -22.777 -2.545 1.00 62.21 H new ATOM 144 N PRO A 801 1.405 -24.465 -3.106 1.00 53.04 N ATOM 145 CA PRO A 801 2.422 -25.499 -3.192 1.00 40.22 C ATOM 146 C PRO A 801 2.043 -26.556 -4.232 1.00 4.24 C ATOM 147 O PRO A 801 2.604 -26.584 -5.326 1.00 54.22 O ATOM 148 CB PRO A 801 2.530 -26.062 -1.785 1.00 4.15 C ATOM 149 CG PRO A 801 1.253 -25.650 -1.071 1.00 51.13 C ATOM 150 CD PRO A 801 0.576 -24.578 -1.910 1.00 33.31 C ATOM 0 HA PRO A 801 3.385 -25.115 -3.528 1.00 40.22 H new ATOM 0 HB2 PRO A 801 2.633 -27.147 -1.806 1.00 4.15 H new ATOM 0 HB3 PRO A 801 3.408 -25.668 -1.273 1.00 4.15 H new ATOM 0 HG2 PRO A 801 0.593 -26.508 -0.943 1.00 51.13 H new ATOM 0 HG3 PRO A 801 1.478 -25.270 -0.075 1.00 51.13 H new ATOM 0 HD2 PRO A 801 -0.446 -24.859 -2.162 1.00 33.31 H new ATOM 0 HD3 PRO A 801 0.523 -23.630 -1.374 1.00 33.31 H new ATOM 158 N ASP A 802 1.095 -27.399 -3.852 1.00 71.52 N ATOM 159 CA ASP A 802 0.635 -28.456 -4.738 1.00 13.42 C ATOM 160 C ASP A 802 -0.894 -28.518 -4.699 1.00 4.10 C ATOM 161 O ASP A 802 -1.536 -27.689 -4.056 1.00 51.24 O ATOM 162 CB ASP A 802 1.175 -29.818 -4.298 1.00 13.32 C ATOM 163 CG ASP A 802 2.584 -30.146 -4.794 1.00 42.44 C ATOM 164 OD1 ASP A 802 2.769 -30.999 -5.675 1.00 33.22 O ATOM 165 OD2 ASP A 802 3.531 -29.474 -4.231 1.00 33.20 O ATOM 0 H ASP A 802 0.633 -27.372 -2.943 1.00 71.52 H new ATOM 0 HA ASP A 802 0.994 -28.234 -5.743 1.00 13.42 H new ATOM 0 HB2 ASP A 802 1.171 -29.859 -3.209 1.00 13.32 H new ATOM 0 HB3 ASP A 802 0.493 -30.593 -4.649 1.00 13.32 H new ATOM 171 N LYS A 803 -1.431 -29.509 -5.395 1.00 14.21 N ATOM 172 CA LYS A 803 -2.872 -29.690 -5.448 1.00 71.10 C ATOM 173 C LYS A 803 -3.391 -30.031 -4.050 1.00 2.24 C ATOM 174 O LYS A 803 -2.615 -30.396 -3.168 1.00 1.34 O ATOM 175 CB LYS A 803 -3.243 -30.726 -6.511 1.00 22.41 C ATOM 176 CG LYS A 803 -3.192 -30.116 -7.913 1.00 31.10 C ATOM 177 CD LYS A 803 -2.325 -30.961 -8.848 1.00 24.32 C ATOM 178 CE LYS A 803 -2.285 -30.358 -10.254 1.00 31.55 C ATOM 179 NZ LYS A 803 -1.588 -31.269 -11.189 1.00 23.34 N ATOM 0 H LYS A 803 -0.895 -30.195 -5.927 1.00 14.21 H new ATOM 0 HA LYS A 803 -3.361 -28.765 -5.753 1.00 71.10 H new ATOM 0 HB2 LYS A 803 -2.558 -31.572 -6.454 1.00 22.41 H new ATOM 0 HB3 LYS A 803 -4.243 -31.112 -6.315 1.00 22.41 H new ATOM 0 HG2 LYS A 803 -4.201 -30.040 -8.317 1.00 31.10 H new ATOM 0 HG3 LYS A 803 -2.793 -29.103 -7.858 1.00 31.10 H new ATOM 0 HD2 LYS A 803 -1.313 -31.029 -8.449 1.00 24.32 H new ATOM 0 HD3 LYS A 803 -2.718 -31.977 -8.895 1.00 24.32 H new ATOM 0 HE2 LYS A 803 -3.300 -30.173 -10.606 1.00 31.55 H new ATOM 0 HE3 LYS A 803 -1.776 -29.394 -10.229 1.00 31.55 H new ATOM 0 HZ1 LYS A 803 -1.570 -30.845 -12.138 1.00 23.34 H new ATOM 0 HZ2 LYS A 803 -0.614 -31.425 -10.861 1.00 23.34 H new ATOM 0 HZ3 LYS A 803 -2.090 -32.179 -11.226 1.00 23.34 H new ATOM 192 N GLU A 804 -4.700 -29.900 -3.890 1.00 44.45 N ATOM 193 CA GLU A 804 -5.331 -30.189 -2.614 1.00 51.03 C ATOM 194 C GLU A 804 -4.447 -29.706 -1.463 1.00 0.12 C ATOM 195 O GLU A 804 -3.942 -30.512 -0.683 1.00 45.12 O ATOM 196 CB GLU A 804 -5.638 -31.682 -2.481 1.00 13.25 C ATOM 197 CG GLU A 804 -4.635 -32.521 -3.274 1.00 73.34 C ATOM 198 CD GLU A 804 -5.036 -33.998 -3.276 1.00 52.22 C ATOM 199 OE1 GLU A 804 -5.459 -34.527 -2.237 1.00 41.33 O ATOM 200 OE2 GLU A 804 -4.897 -34.599 -4.409 1.00 21.31 O ATOM 0 H GLU A 804 -5.341 -29.597 -4.624 1.00 44.45 H new ATOM 0 HA GLU A 804 -6.278 -29.651 -2.568 1.00 51.03 H new ATOM 0 HB2 GLU A 804 -5.609 -31.971 -1.430 1.00 13.25 H new ATOM 0 HB3 GLU A 804 -6.648 -31.882 -2.838 1.00 13.25 H new ATOM 0 HG2 GLU A 804 -4.579 -32.154 -4.299 1.00 73.34 H new ATOM 0 HG3 GLU A 804 -3.641 -32.411 -2.841 1.00 73.34 H new ATOM 208 N ASN A 805 -4.287 -28.393 -1.392 1.00 53.54 N ATOM 209 CA ASN A 805 -3.473 -27.792 -0.349 1.00 60.52 C ATOM 210 C ASN A 805 -4.320 -26.794 0.442 1.00 50.31 C ATOM 211 O ASN A 805 -5.208 -26.150 -0.114 1.00 75.24 O ATOM 212 CB ASN A 805 -2.284 -27.036 -0.945 1.00 71.22 C ATOM 213 CG ASN A 805 -1.695 -26.054 0.069 1.00 24.22 C ATOM 214 OD1 ASN A 805 -1.508 -24.879 -0.202 1.00 23.34 O ATOM 215 ND2 ASN A 805 -1.413 -26.599 1.249 1.00 30.31 N ATOM 0 H ASN A 805 -4.708 -27.728 -2.041 1.00 53.54 H new ATOM 0 HA ASN A 805 -3.106 -28.591 0.295 1.00 60.52 H new ATOM 0 HB2 ASN A 805 -1.517 -27.745 -1.258 1.00 71.22 H new ATOM 0 HB3 ASN A 805 -2.602 -26.496 -1.837 1.00 71.22 H new ATOM 0 HD21 ASN A 805 -1.015 -26.026 1.993 1.00 30.31 H new ATOM 0 HD22 ASN A 805 -1.594 -27.590 1.410 1.00 30.31 H new ATOM 222 N LYS A 806 -4.015 -26.696 1.727 1.00 0.45 N ATOM 223 CA LYS A 806 -4.737 -25.786 2.601 1.00 72.13 C ATOM 224 C LYS A 806 -3.736 -24.949 3.398 1.00 5.34 C ATOM 225 O LYS A 806 -2.629 -25.404 3.685 1.00 52.04 O ATOM 226 CB LYS A 806 -5.729 -26.557 3.475 1.00 44.31 C ATOM 227 CG LYS A 806 -6.105 -25.750 4.719 1.00 4.14 C ATOM 228 CD LYS A 806 -7.477 -26.168 5.250 1.00 32.41 C ATOM 229 CE LYS A 806 -7.634 -27.690 5.225 1.00 71.12 C ATOM 230 NZ LYS A 806 -8.217 -28.130 3.937 1.00 10.44 N ATOM 0 H LYS A 806 -3.278 -27.232 2.185 1.00 0.45 H new ATOM 0 HA LYS A 806 -5.338 -25.091 2.015 1.00 72.13 H new ATOM 0 HB2 LYS A 806 -6.626 -26.784 2.899 1.00 44.31 H new ATOM 0 HB3 LYS A 806 -5.292 -27.510 3.774 1.00 44.31 H new ATOM 0 HG2 LYS A 806 -5.352 -25.896 5.493 1.00 4.14 H new ATOM 0 HG3 LYS A 806 -6.113 -24.687 4.479 1.00 4.14 H new ATOM 0 HD2 LYS A 806 -7.603 -25.802 6.269 1.00 32.41 H new ATOM 0 HD3 LYS A 806 -8.260 -25.708 4.647 1.00 32.41 H new ATOM 0 HE2 LYS A 806 -6.664 -28.164 5.373 1.00 71.12 H new ATOM 0 HE3 LYS A 806 -8.273 -28.009 6.048 1.00 71.12 H new ATOM 0 HZ1 LYS A 806 -8.840 -28.947 4.099 1.00 10.44 H new ATOM 0 HZ2 LYS A 806 -8.768 -27.352 3.521 1.00 10.44 H new ATOM 0 HZ3 LYS A 806 -7.453 -28.401 3.285 1.00 10.44 H new ATOM 243 N LYS A 807 -4.159 -23.739 3.735 1.00 73.40 N ATOM 244 CA LYS A 807 -3.313 -22.834 4.494 1.00 32.31 C ATOM 245 C LYS A 807 -3.677 -22.927 5.977 1.00 3.34 C ATOM 246 O LYS A 807 -4.796 -23.301 6.324 1.00 60.22 O ATOM 247 CB LYS A 807 -3.401 -21.416 3.927 1.00 71.14 C ATOM 248 CG LYS A 807 -2.643 -20.424 4.811 1.00 51.22 C ATOM 249 CD LYS A 807 -2.779 -18.997 4.275 1.00 30.11 C ATOM 250 CE LYS A 807 -2.423 -18.933 2.789 1.00 65.44 C ATOM 251 NZ LYS A 807 -1.834 -17.618 2.453 1.00 45.22 N ATOM 0 H LYS A 807 -5.077 -23.364 3.496 1.00 73.40 H new ATOM 0 HA LYS A 807 -2.266 -23.124 4.403 1.00 32.31 H new ATOM 0 HB2 LYS A 807 -2.989 -21.398 2.918 1.00 71.14 H new ATOM 0 HB3 LYS A 807 -4.446 -21.115 3.850 1.00 71.14 H new ATOM 0 HG2 LYS A 807 -3.027 -20.472 5.830 1.00 51.22 H new ATOM 0 HG3 LYS A 807 -1.590 -20.701 4.854 1.00 51.22 H new ATOM 0 HD2 LYS A 807 -3.800 -18.645 4.423 1.00 30.11 H new ATOM 0 HD3 LYS A 807 -2.126 -18.330 4.838 1.00 30.11 H new ATOM 0 HE2 LYS A 807 -1.718 -19.727 2.543 1.00 65.44 H new ATOM 0 HE3 LYS A 807 -3.316 -19.102 2.187 1.00 65.44 H new ATOM 0 HZ1 LYS A 807 -2.372 -17.185 1.676 1.00 45.22 H new ATOM 0 HZ2 LYS A 807 -1.871 -16.998 3.287 1.00 45.22 H new ATOM 0 HZ3 LYS A 807 -0.844 -17.746 2.160 1.00 45.22 H new ATOM 264 N LEU A 808 -2.710 -22.579 6.814 1.00 65.14 N ATOM 265 CA LEU A 808 -2.914 -22.618 8.252 1.00 64.23 C ATOM 266 C LEU A 808 -2.634 -21.234 8.840 1.00 43.20 C ATOM 267 O LEU A 808 -1.832 -20.475 8.297 1.00 54.03 O ATOM 268 CB LEU A 808 -2.078 -23.734 8.881 1.00 22.43 C ATOM 269 CG LEU A 808 -2.588 -25.160 8.662 1.00 54.14 C ATOM 270 CD1 LEU A 808 -2.160 -25.691 7.292 1.00 10.32 C ATOM 271 CD2 LEU A 808 -2.144 -26.083 9.798 1.00 13.45 C ATOM 0 H LEU A 808 -1.783 -22.269 6.523 1.00 65.14 H new ATOM 0 HA LEU A 808 -3.952 -22.859 8.483 1.00 64.23 H new ATOM 0 HB2 LEU A 808 -1.064 -23.668 8.486 1.00 22.43 H new ATOM 0 HB3 LEU A 808 -2.015 -23.553 9.954 1.00 22.43 H new ATOM 0 HG LEU A 808 -3.678 -25.138 8.673 1.00 54.14 H new ATOM 0 HD11 LEU A 808 -2.535 -26.706 7.162 1.00 10.32 H new ATOM 0 HD12 LEU A 808 -2.567 -25.050 6.510 1.00 10.32 H new ATOM 0 HD13 LEU A 808 -1.072 -25.695 7.227 1.00 10.32 H new ATOM 0 HD21 LEU A 808 -2.520 -27.090 9.617 1.00 13.45 H new ATOM 0 HD22 LEU A 808 -1.055 -26.105 9.844 1.00 13.45 H new ATOM 0 HD23 LEU A 808 -2.540 -25.713 10.744 1.00 13.45 H new ATOM 283 N LEU A 809 -3.310 -20.947 9.943 1.00 43.13 N ATOM 284 CA LEU A 809 -3.144 -19.667 10.611 1.00 62.24 C ATOM 285 C LEU A 809 -2.875 -19.904 12.098 1.00 21.21 C ATOM 286 O LEU A 809 -3.047 -21.016 12.594 1.00 31.51 O ATOM 287 CB LEU A 809 -4.347 -18.762 10.340 1.00 41.41 C ATOM 288 CG LEU A 809 -4.213 -17.805 9.153 1.00 70.41 C ATOM 289 CD1 LEU A 809 -4.449 -18.537 7.830 1.00 25.12 C ATOM 290 CD2 LEU A 809 -5.140 -16.599 9.314 1.00 51.25 C ATOM 0 H LEU A 809 -3.974 -21.579 10.391 1.00 43.13 H new ATOM 0 HA LEU A 809 -2.279 -19.137 10.211 1.00 62.24 H new ATOM 0 HB2 LEU A 809 -5.221 -19.392 10.176 1.00 41.41 H new ATOM 0 HB3 LEU A 809 -4.542 -18.173 11.236 1.00 41.41 H new ATOM 0 HG LEU A 809 -3.191 -17.425 9.133 1.00 70.41 H new ATOM 0 HD11 LEU A 809 -4.348 -17.835 7.003 1.00 25.12 H new ATOM 0 HD12 LEU A 809 -3.715 -19.335 7.720 1.00 25.12 H new ATOM 0 HD13 LEU A 809 -5.452 -18.963 7.824 1.00 25.12 H new ATOM 0 HD21 LEU A 809 -5.025 -15.935 8.457 1.00 51.25 H new ATOM 0 HD22 LEU A 809 -6.174 -16.940 9.373 1.00 51.25 H new ATOM 0 HD23 LEU A 809 -4.883 -16.062 10.227 1.00 51.25 H new ATOM 302 N CYS A 810 -2.457 -18.840 12.768 1.00 70.20 N ATOM 303 CA CYS A 810 -2.163 -18.918 14.189 1.00 64.53 C ATOM 304 C CYS A 810 -3.308 -18.252 14.954 1.00 23.40 C ATOM 305 O CYS A 810 -3.433 -17.029 14.950 1.00 41.22 O ATOM 306 CB CYS A 810 -0.810 -18.286 14.522 1.00 63.13 C ATOM 307 SG CYS A 810 -0.009 -19.205 15.887 1.00 44.33 S ATOM 0 H CYS A 810 -2.315 -17.919 12.353 1.00 70.20 H new ATOM 0 HA CYS A 810 -2.086 -19.963 14.490 1.00 64.53 H new ATOM 0 HB2 CYS A 810 -0.168 -18.295 13.641 1.00 63.13 H new ATOM 0 HB3 CYS A 810 -0.947 -17.243 14.806 1.00 63.13 H new ATOM 0 HG CYS A 810 1.239 -18.852 15.974 1.00 44.33 H new ATOM 313 N ARG A 811 -4.115 -19.087 15.593 1.00 65.03 N ATOM 314 CA ARG A 811 -5.245 -18.594 16.361 1.00 72.31 C ATOM 315 C ARG A 811 -4.858 -17.324 17.120 1.00 2.40 C ATOM 316 O ARG A 811 -5.704 -16.470 17.382 1.00 72.32 O ATOM 317 CB ARG A 811 -5.734 -19.647 17.358 1.00 52.31 C ATOM 318 CG ARG A 811 -7.012 -19.184 18.061 1.00 3.23 C ATOM 319 CD ARG A 811 -7.252 -19.983 19.344 1.00 5.30 C ATOM 320 NE ARG A 811 -8.474 -19.497 20.022 1.00 52.23 N ATOM 321 CZ ARG A 811 -8.720 -19.649 21.340 1.00 30.34 C ATOM 322 NH1 ARG A 811 -7.828 -20.277 22.136 1.00 42.04 N ATOM 323 NH2 ARG A 811 -9.846 -19.176 21.840 1.00 11.44 N ATOM 0 H ARG A 811 -4.008 -20.101 15.594 1.00 65.03 H new ATOM 0 HA ARG A 811 -6.050 -18.371 15.661 1.00 72.31 H new ATOM 0 HB2 ARG A 811 -5.921 -20.587 16.838 1.00 52.31 H new ATOM 0 HB3 ARG A 811 -4.957 -19.841 18.098 1.00 52.31 H new ATOM 0 HG2 ARG A 811 -6.937 -18.123 18.298 1.00 3.23 H new ATOM 0 HG3 ARG A 811 -7.863 -19.302 17.390 1.00 3.23 H new ATOM 0 HD2 ARG A 811 -7.354 -21.042 19.109 1.00 5.30 H new ATOM 0 HD3 ARG A 811 -6.394 -19.885 20.009 1.00 5.30 H new ATOM 0 HE ARG A 811 -9.175 -19.017 19.457 1.00 52.23 H new ATOM 0 HH11 ARG A 811 -6.960 -20.641 21.742 1.00 42.04 H new ATOM 0 HH12 ARG A 811 -8.022 -20.388 23.131 1.00 42.04 H new ATOM 0 HH21 ARG A 811 -10.515 -18.704 21.232 1.00 11.44 H new ATOM 0 HH22 ARG A 811 -10.047 -19.283 22.834 1.00 11.44 H new ATOM 336 N LYS A 812 -3.578 -17.238 17.452 1.00 11.02 N ATOM 337 CA LYS A 812 -3.068 -16.086 18.176 1.00 13.21 C ATOM 338 C LYS A 812 -3.679 -14.811 17.591 1.00 2.44 C ATOM 339 O LYS A 812 -4.597 -14.234 18.173 1.00 61.41 O ATOM 340 CB LYS A 812 -1.538 -16.089 18.180 1.00 73.50 C ATOM 341 CG LYS A 812 -0.995 -16.787 19.429 1.00 41.50 C ATOM 342 CD LYS A 812 -1.088 -18.308 19.292 1.00 10.53 C ATOM 343 CE LYS A 812 -2.410 -18.829 19.859 1.00 1.02 C ATOM 344 NZ LYS A 812 -2.327 -18.959 21.331 1.00 31.32 N ATOM 0 H LYS A 812 -2.879 -17.948 17.233 1.00 11.02 H new ATOM 0 HA LYS A 812 -3.366 -16.132 19.223 1.00 13.21 H new ATOM 0 HB2 LYS A 812 -1.169 -16.594 17.287 1.00 73.50 H new ATOM 0 HB3 LYS A 812 -1.169 -15.064 18.142 1.00 73.50 H new ATOM 0 HG2 LYS A 812 0.043 -16.496 19.590 1.00 41.50 H new ATOM 0 HG3 LYS A 812 -1.557 -16.462 20.305 1.00 41.50 H new ATOM 0 HD2 LYS A 812 -1.003 -18.588 18.242 1.00 10.53 H new ATOM 0 HD3 LYS A 812 -0.254 -18.776 19.815 1.00 10.53 H new ATOM 0 HE2 LYS A 812 -3.220 -18.149 19.593 1.00 1.02 H new ATOM 0 HE3 LYS A 812 -2.647 -19.796 19.415 1.00 1.02 H new ATOM 0 HZ1 LYS A 812 -3.232 -19.314 21.700 1.00 31.32 H new ATOM 0 HZ2 LYS A 812 -1.568 -19.625 21.578 1.00 31.32 H new ATOM 0 HZ3 LYS A 812 -2.123 -18.030 21.751 1.00 31.32 H new ATOM 357 N CYS A 813 -3.144 -14.407 16.448 1.00 33.22 N ATOM 358 CA CYS A 813 -3.625 -13.211 15.778 1.00 1.33 C ATOM 359 C CYS A 813 -4.175 -13.615 14.409 1.00 13.02 C ATOM 360 O CYS A 813 -4.263 -12.788 13.503 1.00 62.24 O ATOM 361 CB CYS A 813 -2.530 -12.149 15.662 1.00 4.32 C ATOM 362 SG CYS A 813 -3.281 -10.484 15.552 1.00 13.13 S ATOM 0 H CYS A 813 -2.382 -14.887 15.969 1.00 33.22 H new ATOM 0 HA CYS A 813 -4.421 -12.756 16.368 1.00 1.33 H new ATOM 0 HB2 CYS A 813 -1.868 -12.202 16.526 1.00 4.32 H new ATOM 0 HB3 CYS A 813 -1.919 -12.340 14.780 1.00 4.32 H new ATOM 0 HG CYS A 813 -2.342 -9.590 15.456 1.00 13.13 H new ATOM 368 N LYS A 814 -4.532 -14.886 14.302 1.00 31.43 N ATOM 369 CA LYS A 814 -5.072 -15.410 13.059 1.00 23.41 C ATOM 370 C LYS A 814 -4.172 -14.984 11.898 1.00 44.23 C ATOM 371 O LYS A 814 -4.599 -14.239 11.017 1.00 35.21 O ATOM 372 CB LYS A 814 -6.533 -14.991 12.890 1.00 14.05 C ATOM 373 CG LYS A 814 -7.201 -14.771 14.250 1.00 71.55 C ATOM 374 CD LYS A 814 -7.184 -16.055 15.083 1.00 42.35 C ATOM 375 CE LYS A 814 -8.156 -17.091 14.514 1.00 42.50 C ATOM 376 NZ LYS A 814 -9.556 -16.664 14.736 1.00 64.31 N ATOM 0 H LYS A 814 -4.458 -15.569 15.056 1.00 31.43 H new ATOM 0 HA LYS A 814 -5.078 -16.500 13.076 1.00 23.41 H new ATOM 0 HB2 LYS A 814 -6.587 -14.075 12.302 1.00 14.05 H new ATOM 0 HB3 LYS A 814 -7.073 -15.758 12.335 1.00 14.05 H new ATOM 0 HG2 LYS A 814 -6.684 -13.977 14.789 1.00 71.55 H new ATOM 0 HG3 LYS A 814 -8.230 -14.441 14.105 1.00 71.55 H new ATOM 0 HD2 LYS A 814 -6.176 -16.468 15.100 1.00 42.35 H new ATOM 0 HD3 LYS A 814 -7.453 -15.827 16.114 1.00 42.35 H new ATOM 0 HE2 LYS A 814 -7.974 -17.222 13.447 1.00 42.50 H new ATOM 0 HE3 LYS A 814 -7.985 -18.058 14.987 1.00 42.50 H new ATOM 0 HZ1 LYS A 814 -9.973 -17.226 15.505 1.00 64.31 H new ATOM 0 HZ2 LYS A 814 -9.575 -15.657 14.994 1.00 64.31 H new ATOM 0 HZ3 LYS A 814 -10.105 -16.809 13.865 1.00 64.31 H new ATOM 389 N ALA A 815 -2.941 -15.474 11.933 1.00 33.25 N ATOM 390 CA ALA A 815 -1.977 -15.153 10.895 1.00 72.12 C ATOM 391 C ALA A 815 -1.372 -16.448 10.349 1.00 52.14 C ATOM 392 O ALA A 815 -1.161 -17.402 11.096 1.00 71.14 O ATOM 393 CB ALA A 815 -0.916 -14.206 11.458 1.00 22.04 C ATOM 0 H ALA A 815 -2.589 -16.091 12.665 1.00 33.25 H new ATOM 0 HA ALA A 815 -2.463 -14.641 10.065 1.00 72.12 H new ATOM 0 HB1 ALA A 815 -0.193 -13.965 10.679 1.00 22.04 H new ATOM 0 HB2 ALA A 815 -1.394 -13.290 11.805 1.00 22.04 H new ATOM 0 HB3 ALA A 815 -0.404 -14.687 12.292 1.00 22.04 H new ATOM 399 N LEU A 816 -1.110 -16.439 9.050 1.00 74.31 N ATOM 400 CA LEU A 816 -0.534 -17.601 8.395 1.00 61.21 C ATOM 401 C LEU A 816 0.526 -18.222 9.307 1.00 43.31 C ATOM 402 O LEU A 816 1.340 -17.509 9.892 1.00 24.44 O ATOM 403 CB LEU A 816 -0.009 -17.228 7.007 1.00 73.52 C ATOM 404 CG LEU A 816 0.917 -18.250 6.344 1.00 42.35 C ATOM 405 CD1 LEU A 816 2.302 -18.237 6.994 1.00 31.30 C ATOM 406 CD2 LEU A 816 0.291 -19.646 6.354 1.00 4.20 C ATOM 0 H LEU A 816 -1.286 -15.645 8.434 1.00 74.31 H new ATOM 0 HA LEU A 816 -1.297 -18.362 8.228 1.00 61.21 H new ATOM 0 HB2 LEU A 816 -0.863 -17.061 6.350 1.00 73.52 H new ATOM 0 HB3 LEU A 816 0.524 -16.280 7.084 1.00 73.52 H new ATOM 0 HG LEU A 816 1.049 -17.965 5.300 1.00 42.35 H new ATOM 0 HD11 LEU A 816 2.941 -18.972 6.504 1.00 31.30 H new ATOM 0 HD12 LEU A 816 2.744 -17.246 6.890 1.00 31.30 H new ATOM 0 HD13 LEU A 816 2.210 -18.484 8.052 1.00 31.30 H new ATOM 0 HD21 LEU A 816 0.970 -20.353 5.877 1.00 4.20 H new ATOM 0 HD22 LEU A 816 0.109 -19.956 7.383 1.00 4.20 H new ATOM 0 HD23 LEU A 816 -0.653 -19.625 5.809 1.00 4.20 H new ATOM 418 N ALA A 817 0.482 -19.543 9.399 1.00 0.40 N ATOM 419 CA ALA A 817 1.429 -20.267 10.230 1.00 73.11 C ATOM 420 C ALA A 817 2.215 -21.250 9.361 1.00 61.43 C ATOM 421 O ALA A 817 3.435 -21.355 9.483 1.00 34.15 O ATOM 422 CB ALA A 817 0.680 -20.964 11.368 1.00 64.22 C ATOM 0 H ALA A 817 -0.195 -20.131 8.912 1.00 0.40 H new ATOM 0 HA ALA A 817 2.146 -19.582 10.683 1.00 73.11 H new ATOM 0 HB1 ALA A 817 1.390 -21.507 11.992 1.00 64.22 H new ATOM 0 HB2 ALA A 817 0.162 -20.219 11.972 1.00 64.22 H new ATOM 0 HB3 ALA A 817 -0.046 -21.662 10.952 1.00 64.22 H new ATOM 428 N CYS A 818 1.485 -21.946 8.502 1.00 71.42 N ATOM 429 CA CYS A 818 2.099 -22.918 7.612 1.00 11.34 C ATOM 430 C CYS A 818 1.028 -23.431 6.648 1.00 15.42 C ATOM 431 O CYS A 818 -0.095 -22.928 6.637 1.00 2.51 O ATOM 432 CB CYS A 818 2.760 -24.058 8.390 1.00 41.32 C ATOM 433 SG CYS A 818 1.721 -24.524 9.822 1.00 53.20 S ATOM 0 H CYS A 818 0.474 -21.856 8.403 1.00 71.42 H new ATOM 0 HA CYS A 818 2.898 -22.441 7.045 1.00 11.34 H new ATOM 0 HB2 CYS A 818 2.902 -24.920 7.738 1.00 41.32 H new ATOM 0 HB3 CYS A 818 3.748 -23.751 8.732 1.00 41.32 H new ATOM 0 HG CYS A 818 1.703 -23.548 10.681 1.00 53.20 H new ATOM 439 N TYR A 819 1.412 -24.425 5.862 1.00 72.50 N ATOM 440 CA TYR A 819 0.498 -25.012 4.896 1.00 20.04 C ATOM 441 C TYR A 819 0.414 -26.530 5.073 1.00 52.52 C ATOM 442 O TYR A 819 1.415 -27.181 5.366 1.00 45.54 O ATOM 443 CB TYR A 819 1.085 -24.703 3.518 1.00 4.40 C ATOM 444 CG TYR A 819 0.921 -23.245 3.085 1.00 51.45 C ATOM 445 CD1 TYR A 819 1.724 -22.266 3.635 1.00 34.11 C ATOM 446 CD2 TYR A 819 -0.030 -22.908 2.143 1.00 52.20 C ATOM 447 CE1 TYR A 819 1.569 -20.894 3.227 1.00 13.21 C ATOM 448 CE2 TYR A 819 -0.185 -21.536 1.735 1.00 51.50 C ATOM 449 CZ TYR A 819 0.622 -20.596 2.297 1.00 20.31 C ATOM 450 OH TYR A 819 0.476 -19.300 1.912 1.00 72.22 O ATOM 0 H TYR A 819 2.344 -24.839 5.874 1.00 72.50 H new ATOM 0 HA TYR A 819 -0.506 -24.607 5.023 1.00 20.04 H new ATOM 0 HB2 TYR A 819 2.146 -24.953 3.522 1.00 4.40 H new ATOM 0 HB3 TYR A 819 0.608 -25.347 2.779 1.00 4.40 H new ATOM 0 HD1 TYR A 819 2.469 -22.529 4.372 1.00 34.11 H new ATOM 0 HD2 TYR A 819 -0.658 -23.674 1.712 1.00 52.20 H new ATOM 0 HE1 TYR A 819 2.191 -20.119 3.650 1.00 13.21 H new ATOM 0 HE2 TYR A 819 -0.925 -21.259 0.999 1.00 51.50 H new ATOM 0 HH TYR A 819 -0.053 -19.261 1.088 1.00 72.22 H new ATOM 460 N THR A 820 -0.791 -27.049 4.887 1.00 1.21 N ATOM 461 CA THR A 820 -1.019 -28.477 5.022 1.00 20.50 C ATOM 462 C THR A 820 -0.171 -29.251 4.011 1.00 45.24 C ATOM 463 O THR A 820 0.158 -30.415 4.232 1.00 73.41 O ATOM 464 CB THR A 820 -2.520 -28.732 4.877 1.00 75.45 C ATOM 465 OG1 THR A 820 -2.764 -29.860 5.713 1.00 61.01 O ATOM 466 CG2 THR A 820 -2.899 -29.219 3.476 1.00 1.30 C ATOM 0 H THR A 820 -1.619 -26.506 4.644 1.00 1.21 H new ATOM 0 HA THR A 820 -0.707 -28.836 6.003 1.00 20.50 H new ATOM 0 HB THR A 820 -3.066 -27.816 5.104 1.00 75.45 H new ATOM 0 HG1 THR A 820 -3.416 -29.620 6.404 1.00 61.01 H new ATOM 0 HG21 THR A 820 -3.975 -29.385 3.427 1.00 1.30 H new ATOM 0 HG22 THR A 820 -2.614 -28.467 2.740 1.00 1.30 H new ATOM 0 HG23 THR A 820 -2.378 -30.152 3.262 1.00 1.30 H new ATOM 474 N ALA A 821 0.160 -28.572 2.922 1.00 3.31 N ATOM 475 CA ALA A 821 0.964 -29.180 1.876 1.00 63.41 C ATOM 476 C ALA A 821 2.396 -29.365 2.382 1.00 64.14 C ATOM 477 O ALA A 821 3.172 -30.119 1.797 1.00 65.40 O ATOM 478 CB ALA A 821 0.898 -28.318 0.614 1.00 2.31 C ATOM 0 H ALA A 821 -0.114 -27.606 2.742 1.00 3.31 H new ATOM 0 HA ALA A 821 0.576 -30.165 1.618 1.00 63.41 H new ATOM 0 HB1 ALA A 821 1.501 -28.775 -0.170 1.00 2.31 H new ATOM 0 HB2 ALA A 821 -0.136 -28.243 0.279 1.00 2.31 H new ATOM 0 HB3 ALA A 821 1.282 -27.322 0.833 1.00 2.31 H new ATOM 484 N ASP A 822 2.703 -28.663 3.463 1.00 64.43 N ATOM 485 CA ASP A 822 4.029 -28.741 4.054 1.00 54.43 C ATOM 486 C ASP A 822 3.942 -29.470 5.396 1.00 40.02 C ATOM 487 O ASP A 822 4.935 -30.014 5.876 1.00 43.01 O ATOM 488 CB ASP A 822 4.599 -27.344 4.310 1.00 23.53 C ATOM 489 CG ASP A 822 4.456 -26.363 3.145 1.00 24.31 C ATOM 490 OD1 ASP A 822 4.314 -26.769 1.982 1.00 33.21 O ATOM 491 OD2 ASP A 822 4.497 -25.117 3.474 1.00 11.41 O ATOM 0 H ASP A 822 2.057 -28.038 3.945 1.00 64.43 H new ATOM 0 HA ASP A 822 4.678 -29.274 3.360 1.00 54.43 H new ATOM 0 HB2 ASP A 822 4.104 -26.921 5.184 1.00 23.53 H new ATOM 0 HB3 ASP A 822 5.656 -27.439 4.557 1.00 23.53 H new ATOM 497 N VAL A 823 2.745 -29.458 5.964 1.00 50.25 N ATOM 498 CA VAL A 823 2.516 -30.111 7.241 1.00 72.41 C ATOM 499 C VAL A 823 2.514 -31.628 7.040 1.00 70.13 C ATOM 500 O VAL A 823 1.559 -32.185 6.500 1.00 23.22 O ATOM 501 CB VAL A 823 1.222 -29.590 7.871 1.00 64.32 C ATOM 502 CG1 VAL A 823 1.026 -30.166 9.274 1.00 35.15 C ATOM 503 CG2 VAL A 823 1.203 -28.061 7.898 1.00 43.33 C ATOM 0 H VAL A 823 1.923 -29.006 5.563 1.00 50.25 H new ATOM 0 HA VAL A 823 3.319 -29.876 7.939 1.00 72.41 H new ATOM 0 HB VAL A 823 0.389 -29.924 7.252 1.00 64.32 H new ATOM 0 HG11 VAL A 823 0.100 -29.780 9.700 1.00 35.15 H new ATOM 0 HG12 VAL A 823 0.974 -31.253 9.217 1.00 35.15 H new ATOM 0 HG13 VAL A 823 1.865 -29.876 9.907 1.00 35.15 H new ATOM 0 HG21 VAL A 823 0.273 -27.717 8.350 1.00 43.33 H new ATOM 0 HG22 VAL A 823 2.048 -27.697 8.483 1.00 43.33 H new ATOM 0 HG23 VAL A 823 1.275 -27.678 6.880 1.00 43.33 H new ATOM 513 N ARG A 824 3.594 -32.253 7.484 1.00 22.24 N ATOM 514 CA ARG A 824 3.729 -33.695 7.360 1.00 3.40 C ATOM 515 C ARG A 824 3.929 -34.330 8.738 1.00 54.15 C ATOM 516 O ARG A 824 4.734 -33.852 9.535 1.00 13.50 O ATOM 517 CB ARG A 824 4.912 -34.061 6.461 1.00 74.41 C ATOM 518 CG ARG A 824 4.471 -34.191 5.001 1.00 31.45 C ATOM 519 CD ARG A 824 3.936 -32.860 4.469 1.00 24.15 C ATOM 520 NE ARG A 824 3.921 -32.876 2.990 1.00 42.23 N ATOM 521 CZ ARG A 824 5.030 -32.935 2.222 1.00 40.31 C ATOM 522 NH1 ARG A 824 6.254 -32.984 2.789 1.00 2.10 N ATOM 523 NH2 ARG A 824 4.899 -32.943 0.908 1.00 24.34 N ATOM 0 H ARG A 824 4.384 -31.788 7.930 1.00 22.24 H new ATOM 0 HA ARG A 824 2.813 -34.077 6.910 1.00 3.40 H new ATOM 0 HB2 ARG A 824 5.686 -33.298 6.544 1.00 74.41 H new ATOM 0 HB3 ARG A 824 5.352 -35.000 6.797 1.00 74.41 H new ATOM 0 HG2 ARG A 824 5.313 -34.519 4.391 1.00 31.45 H new ATOM 0 HG3 ARG A 824 3.700 -34.957 4.917 1.00 31.45 H new ATOM 0 HD2 ARG A 824 2.930 -32.685 4.849 1.00 24.15 H new ATOM 0 HD3 ARG A 824 4.559 -32.040 4.826 1.00 24.15 H new ATOM 0 HE ARG A 824 3.016 -32.840 2.521 1.00 42.23 H new ATOM 0 HH11 ARG A 824 6.346 -32.977 3.805 1.00 2.10 H new ATOM 0 HH12 ARG A 824 7.087 -33.028 2.202 1.00 2.10 H new ATOM 0 HH21 ARG A 824 3.970 -32.905 0.488 1.00 24.34 H new ATOM 0 HH22 ARG A 824 5.726 -32.987 0.313 1.00 24.34 H new ATOM 536 N VAL A 825 3.182 -35.398 8.975 1.00 73.11 N ATOM 537 CA VAL A 825 3.266 -36.104 10.242 1.00 3.12 C ATOM 538 C VAL A 825 4.162 -37.334 10.077 1.00 14.55 C ATOM 539 O VAL A 825 4.208 -37.933 9.004 1.00 11.23 O ATOM 540 CB VAL A 825 1.863 -36.449 10.744 1.00 74.34 C ATOM 541 CG1 VAL A 825 1.201 -35.236 11.399 1.00 14.23 C ATOM 542 CG2 VAL A 825 0.996 -37.001 9.610 1.00 52.01 C ATOM 0 H VAL A 825 2.516 -35.792 8.311 1.00 73.11 H new ATOM 0 HA VAL A 825 3.721 -35.470 11.003 1.00 3.12 H new ATOM 0 HB VAL A 825 1.960 -37.227 11.501 1.00 74.34 H new ATOM 0 HG11 VAL A 825 0.205 -35.509 11.747 1.00 14.23 H new ATOM 0 HG12 VAL A 825 1.803 -34.906 12.245 1.00 14.23 H new ATOM 0 HG13 VAL A 825 1.123 -34.428 10.672 1.00 14.23 H new ATOM 0 HG21 VAL A 825 0.004 -37.238 9.993 1.00 52.01 H new ATOM 0 HG22 VAL A 825 0.911 -36.254 8.820 1.00 52.01 H new ATOM 0 HG23 VAL A 825 1.455 -37.904 9.207 1.00 52.01 H new ATOM 552 N ILE A 826 4.851 -37.673 11.157 1.00 73.11 N ATOM 553 CA ILE A 826 5.742 -38.821 11.145 1.00 1.55 C ATOM 554 C ILE A 826 4.970 -40.065 11.587 1.00 73.31 C ATOM 555 O ILE A 826 4.999 -40.435 12.760 1.00 62.24 O ATOM 556 CB ILE A 826 6.988 -38.539 11.988 1.00 62.35 C ATOM 557 CG1 ILE A 826 7.993 -37.685 11.212 1.00 71.14 C ATOM 558 CG2 ILE A 826 7.613 -39.841 12.494 1.00 50.02 C ATOM 559 CD1 ILE A 826 8.511 -36.531 12.072 1.00 22.00 C ATOM 0 H ILE A 826 4.810 -37.173 12.045 1.00 73.11 H new ATOM 0 HA ILE A 826 6.104 -39.013 10.135 1.00 1.55 H new ATOM 0 HB ILE A 826 6.686 -37.965 12.864 1.00 62.35 H new ATOM 0 HG12 ILE A 826 8.829 -38.305 10.888 1.00 71.14 H new ATOM 0 HG13 ILE A 826 7.521 -37.290 10.312 1.00 71.14 H new ATOM 0 HG21 ILE A 826 8.497 -39.613 13.090 1.00 50.02 H new ATOM 0 HG22 ILE A 826 6.890 -40.377 13.108 1.00 50.02 H new ATOM 0 HG23 ILE A 826 7.899 -40.462 11.645 1.00 50.02 H new ATOM 0 HD11 ILE A 826 9.224 -35.940 11.497 1.00 22.00 H new ATOM 0 HD12 ILE A 826 7.676 -35.899 12.374 1.00 22.00 H new ATOM 0 HD13 ILE A 826 9.003 -36.930 12.959 1.00 22.00 H new ATOM 571 N GLU A 827 4.296 -40.677 10.624 1.00 65.33 N ATOM 572 CA GLU A 827 3.518 -41.873 10.898 1.00 15.23 C ATOM 573 C GLU A 827 2.383 -41.555 11.874 1.00 0.43 C ATOM 574 O GLU A 827 1.999 -42.399 12.681 1.00 34.44 O ATOM 575 CB GLU A 827 4.407 -42.995 11.438 1.00 12.42 C ATOM 576 CG GLU A 827 5.565 -43.285 10.481 1.00 34.22 C ATOM 577 CD GLU A 827 5.074 -44.028 9.237 1.00 41.03 C ATOM 578 OE1 GLU A 827 5.230 -43.526 8.114 1.00 62.24 O ATOM 579 OE2 GLU A 827 4.514 -45.167 9.467 1.00 61.00 O ATOM 0 H GLU A 827 4.273 -40.367 9.653 1.00 65.33 H new ATOM 0 HA GLU A 827 3.081 -42.220 9.962 1.00 15.23 H new ATOM 0 HB2 GLU A 827 4.800 -42.714 12.415 1.00 12.42 H new ATOM 0 HB3 GLU A 827 3.813 -43.898 11.580 1.00 12.42 H new ATOM 0 HG2 GLU A 827 6.041 -42.350 10.186 1.00 34.22 H new ATOM 0 HG3 GLU A 827 6.322 -43.881 10.990 1.00 34.22 H new ATOM 587 N GLU A 828 1.879 -40.334 11.768 1.00 10.12 N ATOM 588 CA GLU A 828 0.796 -39.894 12.631 1.00 2.35 C ATOM 589 C GLU A 828 1.211 -40.003 14.100 1.00 14.53 C ATOM 590 O GLU A 828 0.432 -40.459 14.936 1.00 3.34 O ATOM 591 CB GLU A 828 -0.480 -40.693 12.361 1.00 20.13 C ATOM 592 CG GLU A 828 -1.207 -40.164 11.124 1.00 50.45 C ATOM 593 CD GLU A 828 -2.650 -40.669 11.077 1.00 14.04 C ATOM 594 OE1 GLU A 828 -2.888 -41.878 11.213 1.00 74.45 O ATOM 595 OE2 GLU A 828 -3.542 -39.755 10.895 1.00 75.23 O ATOM 0 H GLU A 828 2.201 -39.636 11.098 1.00 10.12 H new ATOM 0 HA GLU A 828 0.583 -38.848 12.410 1.00 2.35 H new ATOM 0 HB2 GLU A 828 -0.231 -41.745 12.219 1.00 20.13 H new ATOM 0 HB3 GLU A 828 -1.139 -40.635 13.227 1.00 20.13 H new ATOM 0 HG2 GLU A 828 -1.200 -39.074 11.132 1.00 50.45 H new ATOM 0 HG3 GLU A 828 -0.678 -40.480 10.225 1.00 50.45 H new ATOM 603 N CYS A 829 2.436 -39.576 14.369 1.00 13.25 N ATOM 604 CA CYS A 829 2.963 -39.619 15.723 1.00 71.52 C ATOM 605 C CYS A 829 3.191 -38.183 16.196 1.00 13.43 C ATOM 606 O CYS A 829 2.920 -37.855 17.351 1.00 74.25 O ATOM 607 CB CYS A 829 4.241 -40.457 15.805 1.00 33.03 C ATOM 608 SG CYS A 829 3.966 -42.095 15.038 1.00 73.34 S ATOM 0 H CYS A 829 3.079 -39.199 13.673 1.00 13.25 H new ATOM 0 HA CYS A 829 2.244 -40.106 16.381 1.00 71.52 H new ATOM 0 HB2 CYS A 829 5.057 -39.941 15.298 1.00 33.03 H new ATOM 0 HB3 CYS A 829 4.539 -40.579 16.846 1.00 33.03 H new ATOM 0 HG CYS A 829 2.969 -42.023 14.207 1.00 73.34 H new ATOM 614 N HIS A 830 3.687 -37.363 15.281 1.00 73.43 N ATOM 615 CA HIS A 830 3.954 -35.969 15.590 1.00 21.02 C ATOM 616 C HIS A 830 3.577 -35.096 14.392 1.00 41.13 C ATOM 617 O HIS A 830 3.441 -35.593 13.275 1.00 64.21 O ATOM 618 CB HIS A 830 5.408 -35.779 16.028 1.00 15.14 C ATOM 619 CG HIS A 830 5.652 -36.074 17.489 1.00 22.30 C ATOM 620 ND1 HIS A 830 4.810 -36.028 18.561 1.00 74.11 N flip ATOM 621 CD2 HIS A 830 6.886 -36.468 17.978 1.00 71.31 C flip ATOM 622 CE1 HIS A 830 5.491 -36.377 19.645 1.00 73.11 C flip ATOM 623 NE2 HIS A 830 6.779 -36.649 19.286 1.00 4.43 N flip ATOM 0 H HIS A 830 3.911 -37.638 14.325 1.00 73.43 H new ATOM 0 HA HIS A 830 3.337 -35.655 16.432 1.00 21.02 H new ATOM 0 HB2 HIS A 830 6.046 -36.426 15.426 1.00 15.14 H new ATOM 0 HB3 HIS A 830 5.708 -34.752 15.820 1.00 15.14 H new ATOM 0 HD2 HIS A 830 7.783 -36.605 17.393 1.00 71.31 H new ATOM 0 HE1 HIS A 830 5.092 -36.436 20.647 1.00 73.11 H new ATOM 0 HE2 HIS A 830 7.528 -36.940 19.914 1.00 4.43 H new ATOM 631 N TYR A 831 3.419 -33.809 14.664 1.00 35.14 N ATOM 632 CA TYR A 831 3.060 -32.862 13.623 1.00 52.14 C ATOM 633 C TYR A 831 4.185 -31.852 13.388 1.00 22.15 C ATOM 634 O TYR A 831 4.548 -31.101 14.293 1.00 63.34 O ATOM 635 CB TYR A 831 1.824 -32.120 14.134 1.00 35.25 C ATOM 636 CG TYR A 831 0.498 -32.786 13.758 1.00 4.31 C ATOM 637 CD1 TYR A 831 0.046 -32.735 12.455 1.00 42.10 C ATOM 638 CD2 TYR A 831 -0.245 -33.437 14.721 1.00 0.14 C ATOM 639 CE1 TYR A 831 -1.201 -33.361 12.101 1.00 70.34 C ATOM 640 CE2 TYR A 831 -1.492 -34.063 14.367 1.00 32.40 C ATOM 641 CZ TYR A 831 -1.909 -33.995 13.074 1.00 3.32 C ATOM 642 OH TYR A 831 -3.087 -34.586 12.740 1.00 64.35 O ATOM 0 H TYR A 831 3.533 -33.400 15.591 1.00 35.14 H new ATOM 0 HA TYR A 831 2.877 -33.380 12.681 1.00 52.14 H new ATOM 0 HB2 TYR A 831 1.884 -32.040 15.219 1.00 35.25 H new ATOM 0 HB3 TYR A 831 1.833 -31.104 13.739 1.00 35.25 H new ATOM 0 HD1 TYR A 831 0.628 -32.226 11.701 1.00 42.10 H new ATOM 0 HD2 TYR A 831 0.109 -33.477 15.741 1.00 0.14 H new ATOM 0 HE1 TYR A 831 -1.566 -33.328 11.085 1.00 70.34 H new ATOM 0 HE2 TYR A 831 -2.083 -34.575 15.111 1.00 32.40 H new ATOM 0 HH TYR A 831 -3.050 -34.885 11.807 1.00 64.35 H new ATOM 652 N THR A 832 4.706 -31.866 12.170 1.00 31.33 N ATOM 653 CA THR A 832 5.783 -30.961 11.806 1.00 75.11 C ATOM 654 C THR A 832 5.613 -30.485 10.362 1.00 11.40 C ATOM 655 O THR A 832 4.904 -31.112 9.577 1.00 63.24 O ATOM 656 CB THR A 832 7.110 -31.680 12.057 1.00 53.23 C ATOM 657 OG1 THR A 832 8.023 -31.042 11.169 1.00 43.34 O ATOM 658 CG2 THR A 832 7.086 -33.135 11.585 1.00 50.05 C ATOM 0 H THR A 832 4.402 -32.490 11.422 1.00 31.33 H new ATOM 0 HA THR A 832 5.766 -30.059 12.417 1.00 75.11 H new ATOM 0 HB THR A 832 7.345 -31.648 13.121 1.00 53.23 H new ATOM 0 HG1 THR A 832 8.941 -31.202 11.473 1.00 43.34 H new ATOM 0 HG21 THR A 832 8.052 -33.599 11.786 1.00 50.05 H new ATOM 0 HG22 THR A 832 6.305 -33.677 12.117 1.00 50.05 H new ATOM 0 HG23 THR A 832 6.885 -33.167 10.514 1.00 50.05 H new ATOM 666 N VAL A 833 6.275 -29.379 10.056 1.00 43.30 N ATOM 667 CA VAL A 833 6.207 -28.811 8.720 1.00 12.33 C ATOM 668 C VAL A 833 7.611 -28.770 8.115 1.00 25.24 C ATOM 669 O VAL A 833 8.604 -28.879 8.834 1.00 50.52 O ATOM 670 CB VAL A 833 5.537 -27.436 8.770 1.00 4.31 C ATOM 671 CG1 VAL A 833 5.170 -26.953 7.365 1.00 24.43 C ATOM 672 CG2 VAL A 833 4.308 -27.457 9.681 1.00 4.11 C ATOM 0 H VAL A 833 6.861 -28.861 10.710 1.00 43.30 H new ATOM 0 HA VAL A 833 5.592 -29.435 8.071 1.00 12.33 H new ATOM 0 HB VAL A 833 6.253 -26.730 9.190 1.00 4.31 H new ATOM 0 HG11 VAL A 833 4.695 -25.974 7.429 1.00 24.43 H new ATOM 0 HG12 VAL A 833 6.072 -26.880 6.758 1.00 24.43 H new ATOM 0 HG13 VAL A 833 4.480 -27.661 6.905 1.00 24.43 H new ATOM 0 HG21 VAL A 833 3.851 -26.468 9.698 1.00 4.11 H new ATOM 0 HG22 VAL A 833 3.588 -28.183 9.304 1.00 4.11 H new ATOM 0 HG23 VAL A 833 4.608 -27.736 10.691 1.00 4.11 H new ATOM 682 N LEU A 834 7.650 -28.614 6.800 1.00 5.13 N ATOM 683 CA LEU A 834 8.917 -28.558 6.091 1.00 42.35 C ATOM 684 C LEU A 834 9.103 -27.160 5.498 1.00 41.53 C ATOM 685 O LEU A 834 8.136 -26.417 5.334 1.00 21.12 O ATOM 686 CB LEU A 834 9.001 -29.681 5.055 1.00 4.11 C ATOM 687 CG LEU A 834 8.907 -31.106 5.603 1.00 61.53 C ATOM 688 CD1 LEU A 834 8.386 -32.070 4.535 1.00 33.53 C ATOM 689 CD2 LEU A 834 10.249 -31.562 6.180 1.00 12.11 C ATOM 0 H LEU A 834 6.825 -28.525 6.207 1.00 5.13 H new ATOM 0 HA LEU A 834 9.746 -28.726 6.778 1.00 42.35 H new ATOM 0 HB2 LEU A 834 8.201 -29.539 4.328 1.00 4.11 H new ATOM 0 HB3 LEU A 834 9.943 -29.582 4.516 1.00 4.11 H new ATOM 0 HG LEU A 834 8.187 -31.110 6.421 1.00 61.53 H new ATOM 0 HD11 LEU A 834 8.329 -33.076 4.950 1.00 33.53 H new ATOM 0 HD12 LEU A 834 7.394 -31.754 4.212 1.00 33.53 H new ATOM 0 HD13 LEU A 834 9.064 -32.068 3.681 1.00 33.53 H new ATOM 0 HD21 LEU A 834 10.154 -32.578 6.563 1.00 12.11 H new ATOM 0 HD22 LEU A 834 11.008 -31.538 5.398 1.00 12.11 H new ATOM 0 HD23 LEU A 834 10.542 -30.895 6.991 1.00 12.11 H new ATOM 701 N GLY A 835 10.353 -26.843 5.192 1.00 53.31 N ATOM 702 CA GLY A 835 10.678 -25.547 4.621 1.00 52.33 C ATOM 703 C GLY A 835 10.995 -24.528 5.717 1.00 22.24 C ATOM 704 O GLY A 835 10.381 -24.546 6.783 1.00 21.41 O ATOM 0 H GLY A 835 11.153 -27.461 5.329 1.00 53.31 H new ATOM 0 HA2 GLY A 835 11.533 -25.645 3.952 1.00 52.33 H new ATOM 0 HA3 GLY A 835 9.842 -25.191 4.019 1.00 52.33 H new ATOM 708 N ASP A 836 11.954 -23.664 5.418 1.00 12.15 N ATOM 709 CA ASP A 836 12.360 -22.640 6.366 1.00 42.33 C ATOM 710 C ASP A 836 11.181 -21.702 6.633 1.00 44.30 C ATOM 711 O ASP A 836 11.211 -20.915 7.578 1.00 22.33 O ATOM 712 CB ASP A 836 13.514 -21.803 5.810 1.00 0.53 C ATOM 713 CG ASP A 836 13.690 -20.430 6.463 1.00 21.24 C ATOM 714 OD1 ASP A 836 12.949 -19.482 6.167 1.00 55.34 O ATOM 715 OD2 ASP A 836 14.650 -20.354 7.322 1.00 35.35 O ATOM 0 H ASP A 836 12.461 -23.652 4.533 1.00 12.15 H new ATOM 0 HA ASP A 836 12.682 -23.136 7.282 1.00 42.33 H new ATOM 0 HB2 ASP A 836 14.440 -22.366 5.927 1.00 0.53 H new ATOM 0 HB3 ASP A 836 13.359 -21.663 4.740 1.00 0.53 H new ATOM 721 N ALA A 837 10.171 -21.816 5.783 1.00 3.23 N ATOM 722 CA ALA A 837 8.985 -20.988 5.916 1.00 54.21 C ATOM 723 C ALA A 837 8.459 -21.083 7.350 1.00 62.04 C ATOM 724 O ALA A 837 8.109 -20.071 7.955 1.00 52.04 O ATOM 725 CB ALA A 837 7.942 -21.420 4.883 1.00 61.31 C ATOM 0 H ALA A 837 10.150 -22.469 5.000 1.00 3.23 H new ATOM 0 HA ALA A 837 9.224 -19.942 5.721 1.00 54.21 H new ATOM 0 HB1 ALA A 837 7.052 -20.799 4.983 1.00 61.31 H new ATOM 0 HB2 ALA A 837 8.354 -21.306 3.880 1.00 61.31 H new ATOM 0 HB3 ALA A 837 7.676 -22.464 5.049 1.00 61.31 H new ATOM 731 N PHE A 838 8.421 -22.308 7.852 1.00 71.53 N ATOM 732 CA PHE A 838 7.944 -22.549 9.203 1.00 20.10 C ATOM 733 C PHE A 838 9.076 -22.393 10.220 1.00 5.10 C ATOM 734 O PHE A 838 8.828 -22.285 11.420 1.00 54.32 O ATOM 735 CB PHE A 838 7.431 -23.990 9.246 1.00 13.33 C ATOM 736 CG PHE A 838 8.509 -25.025 9.574 1.00 52.21 C ATOM 737 CD1 PHE A 838 8.949 -25.167 10.853 1.00 42.43 C ATOM 738 CD2 PHE A 838 9.027 -25.803 8.586 1.00 33.21 C ATOM 739 CE1 PHE A 838 9.950 -26.127 11.157 1.00 73.43 C ATOM 740 CE2 PHE A 838 10.027 -26.764 8.890 1.00 1.11 C ATOM 741 CZ PHE A 838 10.468 -26.906 10.169 1.00 55.31 C ATOM 0 H PHE A 838 8.713 -23.145 7.347 1.00 71.53 H new ATOM 0 HA PHE A 838 7.163 -21.831 9.455 1.00 20.10 H new ATOM 0 HB2 PHE A 838 6.637 -24.060 9.989 1.00 13.33 H new ATOM 0 HB3 PHE A 838 6.987 -24.236 8.281 1.00 13.33 H new ATOM 0 HD1 PHE A 838 8.537 -24.550 11.637 1.00 42.43 H new ATOM 0 HD2 PHE A 838 8.678 -25.690 7.570 1.00 33.21 H new ATOM 0 HE1 PHE A 838 10.300 -26.239 12.172 1.00 73.43 H new ATOM 0 HE2 PHE A 838 10.438 -27.382 8.106 1.00 1.11 H new ATOM 0 HZ PHE A 838 11.229 -27.637 10.400 1.00 55.31 H new ATOM 751 N LYS A 839 10.296 -22.386 9.703 1.00 23.21 N ATOM 752 CA LYS A 839 11.468 -22.245 10.551 1.00 32.11 C ATOM 753 C LYS A 839 11.774 -20.759 10.748 1.00 54.12 C ATOM 754 O LYS A 839 12.513 -20.389 11.658 1.00 2.13 O ATOM 755 CB LYS A 839 12.641 -23.044 9.981 1.00 63.21 C ATOM 756 CG LYS A 839 12.210 -24.466 9.614 1.00 1.33 C ATOM 757 CD LYS A 839 13.282 -25.165 8.776 1.00 42.10 C ATOM 758 CE LYS A 839 14.665 -24.568 9.046 1.00 52.12 C ATOM 759 NZ LYS A 839 15.725 -25.458 8.522 1.00 31.33 N ATOM 0 H LYS A 839 10.498 -22.476 8.707 1.00 23.21 H new ATOM 0 HA LYS A 839 11.276 -22.665 11.538 1.00 32.11 H new ATOM 0 HB2 LYS A 839 13.034 -22.540 9.098 1.00 63.21 H new ATOM 0 HB3 LYS A 839 13.449 -23.082 10.712 1.00 63.21 H new ATOM 0 HG2 LYS A 839 12.023 -25.039 10.522 1.00 1.33 H new ATOM 0 HG3 LYS A 839 11.273 -24.434 9.058 1.00 1.33 H new ATOM 0 HD2 LYS A 839 13.291 -26.230 9.006 1.00 42.10 H new ATOM 0 HD3 LYS A 839 13.041 -25.069 7.717 1.00 42.10 H new ATOM 0 HE2 LYS A 839 14.742 -23.587 8.578 1.00 52.12 H new ATOM 0 HE3 LYS A 839 14.802 -24.422 10.117 1.00 52.12 H new ATOM 0 HZ1 LYS A 839 16.657 -25.038 8.714 1.00 31.33 H new ATOM 0 HZ2 LYS A 839 15.661 -26.386 8.988 1.00 31.33 H new ATOM 0 HZ3 LYS A 839 15.603 -25.577 7.496 1.00 31.33 H new ATOM 772 N GLU A 840 11.189 -19.947 9.879 1.00 32.22 N ATOM 773 CA GLU A 840 11.389 -18.510 9.946 1.00 5.41 C ATOM 774 C GLU A 840 10.182 -17.835 10.600 1.00 10.10 C ATOM 775 O GLU A 840 10.314 -16.777 11.214 1.00 63.23 O ATOM 776 CB GLU A 840 11.656 -17.928 8.556 1.00 24.14 C ATOM 777 CG GLU A 840 10.391 -17.958 7.697 1.00 71.20 C ATOM 778 CD GLU A 840 10.554 -17.086 6.451 1.00 54.33 C ATOM 779 OE1 GLU A 840 11.686 -16.835 6.013 1.00 4.10 O ATOM 780 OE2 GLU A 840 9.450 -16.664 5.933 1.00 41.33 O ATOM 0 H GLU A 840 10.576 -20.258 9.125 1.00 32.22 H new ATOM 0 HA GLU A 840 12.267 -18.314 10.561 1.00 5.41 H new ATOM 0 HB2 GLU A 840 12.012 -16.902 8.650 1.00 24.14 H new ATOM 0 HB3 GLU A 840 12.446 -18.496 8.066 1.00 24.14 H new ATOM 0 HG2 GLU A 840 10.172 -18.984 7.401 1.00 71.20 H new ATOM 0 HG3 GLU A 840 9.541 -17.607 8.282 1.00 71.20 H new ATOM 788 N CYS A 841 9.032 -18.475 10.446 1.00 11.54 N ATOM 789 CA CYS A 841 7.802 -17.949 11.014 1.00 32.43 C ATOM 790 C CYS A 841 7.888 -18.067 12.537 1.00 15.43 C ATOM 791 O CYS A 841 7.258 -17.295 13.259 1.00 10.03 O ATOM 792 CB CYS A 841 6.570 -18.665 10.455 1.00 2.42 C ATOM 793 SG CYS A 841 6.329 -20.261 11.317 1.00 55.21 S ATOM 0 H CYS A 841 8.926 -19.352 9.937 1.00 11.54 H new ATOM 0 HA CYS A 841 7.689 -16.901 10.737 1.00 32.43 H new ATOM 0 HB2 CYS A 841 5.687 -18.038 10.580 1.00 2.42 H new ATOM 0 HB3 CYS A 841 6.692 -18.835 9.385 1.00 2.42 H new ATOM 0 HG CYS A 841 7.475 -20.860 11.450 1.00 55.21 H new ATOM 799 N PHE A 842 8.672 -19.038 12.981 1.00 73.01 N ATOM 800 CA PHE A 842 8.848 -19.266 14.405 1.00 31.21 C ATOM 801 C PHE A 842 10.271 -18.917 14.845 1.00 42.45 C ATOM 802 O PHE A 842 11.041 -18.348 14.072 1.00 1.10 O ATOM 803 CB PHE A 842 8.602 -20.756 14.653 1.00 13.32 C ATOM 804 CG PHE A 842 9.879 -21.595 14.718 1.00 22.23 C ATOM 805 CD1 PHE A 842 10.752 -21.587 13.675 1.00 21.13 C ATOM 806 CD2 PHE A 842 10.142 -22.350 15.819 1.00 12.50 C ATOM 807 CE1 PHE A 842 11.938 -22.366 13.736 1.00 74.32 C ATOM 808 CE2 PHE A 842 11.327 -23.129 15.879 1.00 4.34 C ATOM 809 CZ PHE A 842 12.200 -23.121 14.836 1.00 3.44 C ATOM 0 H PHE A 842 9.193 -19.676 12.379 1.00 73.01 H new ATOM 0 HA PHE A 842 8.158 -18.639 14.970 1.00 31.21 H new ATOM 0 HB2 PHE A 842 8.055 -20.873 15.589 1.00 13.32 H new ATOM 0 HB3 PHE A 842 7.964 -21.145 13.860 1.00 13.32 H new ATOM 0 HD1 PHE A 842 10.543 -20.988 12.801 1.00 21.13 H new ATOM 0 HD2 PHE A 842 9.449 -22.357 16.647 1.00 12.50 H new ATOM 0 HE1 PHE A 842 12.632 -22.359 12.908 1.00 74.32 H new ATOM 0 HE2 PHE A 842 11.536 -23.728 16.753 1.00 4.34 H new ATOM 0 HZ PHE A 842 13.101 -23.714 14.882 1.00 3.44 H new ATOM 819 N VAL A 843 10.578 -19.271 16.084 1.00 73.43 N ATOM 820 CA VAL A 843 11.895 -19.002 16.635 1.00 32.31 C ATOM 821 C VAL A 843 12.219 -20.049 17.703 1.00 4.31 C ATOM 822 O VAL A 843 11.323 -20.720 18.212 1.00 62.11 O ATOM 823 CB VAL A 843 11.957 -17.568 17.165 1.00 64.22 C ATOM 824 CG1 VAL A 843 11.537 -16.567 16.087 1.00 45.11 C ATOM 825 CG2 VAL A 843 11.101 -17.411 18.423 1.00 3.31 C ATOM 0 H VAL A 843 9.937 -19.742 16.722 1.00 73.43 H new ATOM 0 HA VAL A 843 12.657 -19.081 15.860 1.00 32.31 H new ATOM 0 HB VAL A 843 12.991 -17.355 17.435 1.00 64.22 H new ATOM 0 HG11 VAL A 843 11.590 -15.555 16.489 1.00 45.11 H new ATOM 0 HG12 VAL A 843 12.206 -16.652 15.231 1.00 45.11 H new ATOM 0 HG13 VAL A 843 10.515 -16.779 15.772 1.00 45.11 H new ATOM 0 HG21 VAL A 843 11.163 -16.383 18.779 1.00 3.31 H new ATOM 0 HG22 VAL A 843 10.064 -17.653 18.190 1.00 3.31 H new ATOM 0 HG23 VAL A 843 11.465 -18.086 19.198 1.00 3.31 H new ATOM 835 N SER A 844 13.504 -20.155 18.011 1.00 14.41 N ATOM 836 CA SER A 844 13.958 -21.108 19.009 1.00 14.14 C ATOM 837 C SER A 844 15.027 -20.467 19.897 1.00 74.22 C ATOM 838 O SER A 844 15.960 -19.840 19.397 1.00 74.51 O ATOM 839 CB SER A 844 14.505 -22.376 18.351 1.00 35.12 C ATOM 840 OG SER A 844 15.891 -22.262 18.043 1.00 23.45 O ATOM 0 H SER A 844 14.244 -19.596 17.587 1.00 14.41 H new ATOM 0 HA SER A 844 13.104 -21.390 19.625 1.00 14.14 H new ATOM 0 HB2 SER A 844 14.350 -23.225 19.016 1.00 35.12 H new ATOM 0 HB3 SER A 844 13.946 -22.580 17.438 1.00 35.12 H new ATOM 0 HG SER A 844 16.203 -23.092 17.626 1.00 23.45 H new ATOM 846 N ARG A 845 14.855 -20.646 21.198 1.00 20.52 N ATOM 847 CA ARG A 845 15.793 -20.094 22.160 1.00 5.31 C ATOM 848 C ARG A 845 16.368 -21.205 23.040 1.00 30.34 C ATOM 849 O ARG A 845 15.665 -22.154 23.387 1.00 43.45 O ATOM 850 CB ARG A 845 15.119 -19.046 23.048 1.00 31.43 C ATOM 851 CG ARG A 845 13.969 -18.359 22.309 1.00 31.32 C ATOM 852 CD ARG A 845 14.491 -17.522 21.140 1.00 62.12 C ATOM 853 NE ARG A 845 15.081 -16.262 21.643 1.00 13.54 N ATOM 854 CZ ARG A 845 15.803 -15.409 20.887 1.00 44.44 C ATOM 855 NH1 ARG A 845 16.032 -15.675 19.583 1.00 2.30 N ATOM 856 NH2 ARG A 845 16.283 -14.311 21.440 1.00 1.44 N ATOM 0 H ARG A 845 14.079 -21.166 21.609 1.00 20.52 H new ATOM 0 HA ARG A 845 16.598 -19.617 21.601 1.00 5.31 H new ATOM 0 HB2 ARG A 845 14.742 -19.520 23.954 1.00 31.43 H new ATOM 0 HB3 ARG A 845 15.852 -18.302 23.359 1.00 31.43 H new ATOM 0 HG2 ARG A 845 13.269 -19.109 21.940 1.00 31.32 H new ATOM 0 HG3 ARG A 845 13.417 -17.721 23.000 1.00 31.32 H new ATOM 0 HD2 ARG A 845 15.239 -18.087 20.583 1.00 62.12 H new ATOM 0 HD3 ARG A 845 13.678 -17.302 20.448 1.00 62.12 H new ATOM 0 HE ARG A 845 14.933 -16.023 22.623 1.00 13.54 H new ATOM 0 HH11 ARG A 845 15.658 -16.526 19.163 1.00 2.30 H new ATOM 0 HH12 ARG A 845 16.579 -15.025 19.018 1.00 2.30 H new ATOM 0 HH21 ARG A 845 16.106 -14.117 22.426 1.00 1.44 H new ATOM 0 HH22 ARG A 845 16.831 -13.656 20.882 1.00 1.44 H new ATOM 869 N PRO A 846 17.674 -21.048 23.386 1.00 12.34 N ATOM 870 CA PRO A 846 18.351 -22.027 24.220 1.00 53.33 C ATOM 871 C PRO A 846 17.913 -21.900 25.680 1.00 35.32 C ATOM 872 O PRO A 846 16.954 -22.545 26.102 1.00 14.23 O ATOM 873 CB PRO A 846 19.833 -21.757 24.019 1.00 51.23 C ATOM 874 CG PRO A 846 19.927 -20.350 23.451 1.00 62.03 C ATOM 875 CD PRO A 846 18.537 -19.937 22.995 1.00 61.31 C ATOM 0 HA PRO A 846 18.106 -23.053 23.947 1.00 53.33 H new ATOM 0 HB2 PRO A 846 20.375 -21.835 24.961 1.00 51.23 H new ATOM 0 HB3 PRO A 846 20.273 -22.484 23.337 1.00 51.23 H new ATOM 0 HG2 PRO A 846 20.302 -19.658 24.205 1.00 62.03 H new ATOM 0 HG3 PRO A 846 20.627 -20.322 22.616 1.00 62.03 H new ATOM 0 HD2 PRO A 846 18.225 -19.007 23.469 1.00 61.31 H new ATOM 0 HD3 PRO A 846 18.506 -19.772 21.918 1.00 61.31 H new ATOM 883 N HIS A 847 18.636 -21.065 26.412 1.00 71.45 N ATOM 884 CA HIS A 847 18.334 -20.846 27.816 1.00 72.12 C ATOM 885 C HIS A 847 18.944 -21.971 28.654 1.00 61.42 C ATOM 886 O HIS A 847 19.024 -23.113 28.203 1.00 44.22 O ATOM 887 CB HIS A 847 16.826 -20.698 28.030 1.00 3.44 C ATOM 888 CG HIS A 847 16.453 -19.693 29.095 1.00 65.04 C ATOM 889 ND1 HIS A 847 15.839 -20.052 30.282 1.00 51.44 N ATOM 890 CD2 HIS A 847 16.616 -18.339 29.138 1.00 34.54 C ATOM 891 CE1 HIS A 847 15.644 -18.955 30.999 1.00 33.33 C ATOM 892 NE2 HIS A 847 16.125 -17.895 30.289 1.00 63.21 N ATOM 0 H HIS A 847 19.431 -20.532 26.059 1.00 71.45 H new ATOM 0 HA HIS A 847 18.783 -19.910 28.147 1.00 72.12 H new ATOM 0 HB2 HIS A 847 16.363 -20.403 27.088 1.00 3.44 H new ATOM 0 HB3 HIS A 847 16.410 -21.669 28.299 1.00 3.44 H new ATOM 0 HD2 HIS A 847 17.067 -17.732 28.367 1.00 34.54 H new ATOM 0 HE1 HIS A 847 15.184 -18.909 31.975 1.00 33.33 H new ATOM 0 HE2 HIS A 847 16.110 -16.921 30.592 1.00 63.21 H new ATOM 900 N PRO A 848 19.369 -21.600 29.891 1.00 25.42 N ATOM 901 CA PRO A 848 19.970 -22.565 30.797 1.00 60.25 C ATOM 902 C PRO A 848 18.908 -23.486 31.400 1.00 74.10 C ATOM 903 O PRO A 848 18.482 -23.288 32.537 1.00 43.30 O ATOM 904 CB PRO A 848 20.693 -21.729 31.840 1.00 40.14 C ATOM 905 CG PRO A 848 20.088 -20.337 31.750 1.00 23.12 C ATOM 906 CD PRO A 848 19.290 -20.258 30.459 1.00 44.30 C ATOM 0 HA PRO A 848 20.665 -23.238 30.294 1.00 60.25 H new ATOM 0 HB2 PRO A 848 20.561 -22.149 32.837 1.00 40.14 H new ATOM 0 HB3 PRO A 848 21.765 -21.702 31.645 1.00 40.14 H new ATOM 0 HG2 PRO A 848 19.445 -20.144 32.609 1.00 23.12 H new ATOM 0 HG3 PRO A 848 20.871 -19.579 31.762 1.00 23.12 H new ATOM 0 HD2 PRO A 848 18.256 -19.969 30.650 1.00 44.30 H new ATOM 0 HD3 PRO A 848 19.709 -19.515 29.780 1.00 44.30 H new ATOM 914 N LYS A 849 18.510 -24.474 30.612 1.00 55.24 N ATOM 915 CA LYS A 849 17.505 -25.426 31.054 1.00 40.00 C ATOM 916 C LYS A 849 18.050 -26.847 30.895 1.00 42.41 C ATOM 917 O LYS A 849 18.760 -27.139 29.934 1.00 74.24 O ATOM 918 CB LYS A 849 16.183 -25.189 30.321 1.00 32.04 C ATOM 919 CG LYS A 849 14.991 -25.546 31.212 1.00 10.10 C ATOM 920 CD LYS A 849 13.750 -24.743 30.816 1.00 45.23 C ATOM 921 CE LYS A 849 13.845 -23.302 31.322 1.00 63.12 C ATOM 922 NZ LYS A 849 13.659 -23.255 32.789 1.00 14.12 N ATOM 0 H LYS A 849 18.865 -24.636 29.670 1.00 55.24 H new ATOM 0 HA LYS A 849 17.286 -25.284 32.112 1.00 40.00 H new ATOM 0 HB2 LYS A 849 16.114 -24.145 30.016 1.00 32.04 H new ATOM 0 HB3 LYS A 849 16.155 -25.789 29.411 1.00 32.04 H new ATOM 0 HG2 LYS A 849 14.779 -26.612 31.132 1.00 10.10 H new ATOM 0 HG3 LYS A 849 15.239 -25.348 32.255 1.00 10.10 H new ATOM 0 HD2 LYS A 849 13.642 -24.745 29.731 1.00 45.23 H new ATOM 0 HD3 LYS A 849 12.859 -25.218 31.226 1.00 45.23 H new ATOM 0 HE2 LYS A 849 14.815 -22.881 31.059 1.00 63.12 H new ATOM 0 HE3 LYS A 849 13.088 -22.688 30.834 1.00 63.12 H new ATOM 0 HZ1 LYS A 849 13.422 -22.284 33.078 1.00 14.12 H new ATOM 0 HZ2 LYS A 849 12.886 -23.896 33.062 1.00 14.12 H new ATOM 0 HZ3 LYS A 849 14.537 -23.552 33.260 1.00 14.12 H new ATOM 935 N PRO A 850 17.689 -27.714 31.878 1.00 73.43 N ATOM 936 CA PRO A 850 18.134 -29.097 31.856 1.00 32.30 C ATOM 937 C PRO A 850 17.362 -29.905 30.811 1.00 70.51 C ATOM 938 O PRO A 850 17.827 -30.075 29.685 1.00 70.41 O ATOM 939 CB PRO A 850 17.920 -29.602 33.274 1.00 53.22 C ATOM 940 CG PRO A 850 16.937 -28.636 33.916 1.00 61.11 C ATOM 941 CD PRO A 850 16.850 -27.403 33.031 1.00 32.13 C ATOM 0 HA PRO A 850 19.180 -29.198 31.565 1.00 32.30 H new ATOM 0 HB2 PRO A 850 17.524 -30.618 33.271 1.00 53.22 H new ATOM 0 HB3 PRO A 850 18.860 -29.627 33.826 1.00 53.22 H new ATOM 0 HG2 PRO A 850 15.957 -29.101 34.020 1.00 61.11 H new ATOM 0 HG3 PRO A 850 17.268 -28.364 34.918 1.00 61.11 H new ATOM 0 HD2 PRO A 850 15.822 -27.204 32.730 1.00 32.13 H new ATOM 0 HD3 PRO A 850 17.207 -26.515 33.553 1.00 32.13 H new ATOM 949 N LYS A 851 16.196 -30.382 31.221 1.00 72.20 N ATOM 950 CA LYS A 851 15.355 -31.168 30.334 1.00 30.21 C ATOM 951 C LYS A 851 13.982 -31.364 30.981 1.00 41.24 C ATOM 952 O LYS A 851 13.738 -30.882 32.086 1.00 62.31 O ATOM 953 CB LYS A 851 16.050 -32.478 29.958 1.00 21.34 C ATOM 954 CG LYS A 851 16.336 -33.323 31.201 1.00 22.34 C ATOM 955 CD LYS A 851 16.549 -34.792 30.829 1.00 75.10 C ATOM 956 CE LYS A 851 17.828 -34.970 30.010 1.00 65.50 C ATOM 957 NZ LYS A 851 17.967 -36.375 29.565 1.00 62.15 N ATOM 0 H LYS A 851 15.814 -30.239 32.156 1.00 72.20 H new ATOM 0 HA LYS A 851 15.193 -30.639 29.395 1.00 30.21 H new ATOM 0 HB2 LYS A 851 15.423 -33.041 29.267 1.00 21.34 H new ATOM 0 HB3 LYS A 851 16.983 -32.262 29.438 1.00 21.34 H new ATOM 0 HG2 LYS A 851 17.221 -32.941 31.709 1.00 22.34 H new ATOM 0 HG3 LYS A 851 15.505 -33.238 31.902 1.00 22.34 H new ATOM 0 HD2 LYS A 851 16.606 -35.396 31.735 1.00 75.10 H new ATOM 0 HD3 LYS A 851 15.694 -35.154 30.258 1.00 75.10 H new ATOM 0 HE2 LYS A 851 17.807 -34.308 29.144 1.00 65.50 H new ATOM 0 HE3 LYS A 851 18.693 -34.685 30.609 1.00 65.50 H new ATOM 0 HZ1 LYS A 851 18.974 -36.599 29.431 1.00 62.15 H new ATOM 0 HZ2 LYS A 851 17.564 -37.009 30.285 1.00 62.15 H new ATOM 0 HZ3 LYS A 851 17.461 -36.506 28.666 1.00 62.15 H new ATOM 970 N GLN A 852 13.121 -32.072 30.264 1.00 44.51 N ATOM 971 CA GLN A 852 11.779 -32.337 30.754 1.00 45.21 C ATOM 972 C GLN A 852 11.399 -33.796 30.496 1.00 23.35 C ATOM 973 O GLN A 852 11.778 -34.370 29.476 1.00 2.53 O ATOM 974 CB GLN A 852 10.765 -31.385 30.116 1.00 30.44 C ATOM 975 CG GLN A 852 9.500 -31.280 30.971 1.00 41.02 C ATOM 976 CD GLN A 852 9.844 -30.923 32.418 1.00 3.52 C ATOM 977 OE1 GLN A 852 10.786 -30.200 32.699 1.00 3.21 O ATOM 978 NE2 GLN A 852 9.031 -31.467 33.318 1.00 34.31 N ATOM 0 H GLN A 852 13.327 -32.470 29.348 1.00 44.51 H new ATOM 0 HA GLN A 852 11.764 -32.163 31.830 1.00 45.21 H new ATOM 0 HB2 GLN A 852 11.212 -30.398 29.998 1.00 30.44 H new ATOM 0 HB3 GLN A 852 10.506 -31.739 29.118 1.00 30.44 H new ATOM 0 HG2 GLN A 852 8.837 -30.522 30.554 1.00 41.02 H new ATOM 0 HG3 GLN A 852 8.960 -32.226 30.945 1.00 41.02 H new ATOM 0 HE21 GLN A 852 8.261 -32.063 33.015 1.00 34.31 H new ATOM 0 HE22 GLN A 852 9.177 -31.288 34.311 1.00 34.31 H new ATOM 987 N PHE A 853 10.655 -34.356 31.439 1.00 0.31 N ATOM 988 CA PHE A 853 10.219 -35.737 31.327 1.00 24.42 C ATOM 989 C PHE A 853 8.931 -35.841 30.508 1.00 20.54 C ATOM 990 O PHE A 853 7.861 -35.456 30.977 1.00 40.45 O ATOM 991 CB PHE A 853 9.949 -36.237 32.748 1.00 72.55 C ATOM 992 CG PHE A 853 9.084 -37.498 32.809 1.00 23.41 C ATOM 993 CD1 PHE A 853 7.730 -37.392 32.865 1.00 73.02 C ATOM 994 CD2 PHE A 853 9.671 -38.726 32.808 1.00 14.40 C ATOM 995 CE1 PHE A 853 6.927 -38.562 32.922 1.00 63.31 C ATOM 996 CE2 PHE A 853 8.868 -39.896 32.865 1.00 3.31 C ATOM 997 CZ PHE A 853 7.514 -39.789 32.921 1.00 74.52 C ATOM 0 H PHE A 853 10.343 -33.878 32.284 1.00 0.31 H new ATOM 0 HA PHE A 853 10.984 -36.330 30.826 1.00 24.42 H new ATOM 0 HB2 PHE A 853 10.901 -36.438 33.239 1.00 72.55 H new ATOM 0 HB3 PHE A 853 9.459 -35.445 33.314 1.00 72.55 H new ATOM 0 HD1 PHE A 853 7.265 -36.417 32.866 1.00 73.02 H new ATOM 0 HD2 PHE A 853 10.747 -38.811 32.764 1.00 14.40 H new ATOM 0 HE1 PHE A 853 5.851 -38.478 32.966 1.00 63.31 H new ATOM 0 HE2 PHE A 853 9.333 -40.871 32.864 1.00 3.31 H new ATOM 0 HZ PHE A 853 6.904 -40.679 32.965 1.00 74.52 H new ATOM 1007 N SER A 854 9.076 -36.365 29.300 1.00 3.10 N ATOM 1008 CA SER A 854 7.937 -36.525 28.412 1.00 45.32 C ATOM 1009 C SER A 854 8.304 -37.455 27.254 1.00 74.13 C ATOM 1010 O SER A 854 9.426 -37.952 27.183 1.00 25.33 O ATOM 1011 CB SER A 854 7.463 -35.172 27.876 1.00 33.45 C ATOM 1012 OG SER A 854 6.473 -34.583 28.716 1.00 24.33 O ATOM 0 H SER A 854 9.965 -36.684 28.915 1.00 3.10 H new ATOM 0 HA SER A 854 7.119 -36.968 28.980 1.00 45.32 H new ATOM 0 HB2 SER A 854 8.315 -34.497 27.791 1.00 33.45 H new ATOM 0 HB3 SER A 854 7.057 -35.301 26.873 1.00 33.45 H new ATOM 0 HG SER A 854 6.714 -34.725 29.655 1.00 24.33 H new ATOM 1018 N SER A 855 7.335 -37.662 26.374 1.00 33.32 N ATOM 1019 CA SER A 855 7.541 -38.524 25.223 1.00 72.23 C ATOM 1020 C SER A 855 8.944 -38.309 24.652 1.00 1.43 C ATOM 1021 O SER A 855 9.799 -39.188 24.748 1.00 51.10 O ATOM 1022 CB SER A 855 6.485 -38.267 24.146 1.00 51.31 C ATOM 1023 OG SER A 855 5.213 -37.957 24.709 1.00 71.11 O ATOM 0 H SER A 855 6.405 -37.247 26.435 1.00 33.32 H new ATOM 0 HA SER A 855 7.443 -39.559 25.550 1.00 72.23 H new ATOM 0 HB2 SER A 855 6.810 -37.444 23.509 1.00 51.31 H new ATOM 0 HB3 SER A 855 6.395 -39.147 23.509 1.00 51.31 H new ATOM 0 HG SER A 855 4.567 -37.798 23.990 1.00 71.11 H new ATOM 1029 N PHE A 856 9.138 -37.134 24.071 1.00 11.34 N ATOM 1030 CA PHE A 856 10.423 -36.791 23.486 1.00 72.35 C ATOM 1031 C PHE A 856 11.251 -35.933 24.444 1.00 52.44 C ATOM 1032 O PHE A 856 10.789 -35.587 25.530 1.00 51.42 O ATOM 1033 CB PHE A 856 10.135 -35.986 22.217 1.00 64.33 C ATOM 1034 CG PHE A 856 9.794 -36.846 20.998 1.00 23.30 C ATOM 1035 CD1 PHE A 856 9.338 -38.116 21.168 1.00 22.11 C ATOM 1036 CD2 PHE A 856 9.947 -36.341 19.745 1.00 41.33 C ATOM 1037 CE1 PHE A 856 9.021 -38.914 20.037 1.00 25.31 C ATOM 1038 CE2 PHE A 856 9.630 -37.139 18.614 1.00 45.22 C ATOM 1039 CZ PHE A 856 9.174 -38.409 18.784 1.00 43.32 C ATOM 0 H PHE A 856 8.426 -36.407 23.993 1.00 11.34 H new ATOM 0 HA PHE A 856 10.989 -37.698 23.273 1.00 72.35 H new ATOM 0 HB2 PHE A 856 9.307 -35.305 22.411 1.00 64.33 H new ATOM 0 HB3 PHE A 856 11.005 -35.372 21.984 1.00 64.33 H new ATOM 0 HD1 PHE A 856 9.217 -38.518 22.163 1.00 22.11 H new ATOM 0 HD2 PHE A 856 10.310 -35.333 19.610 1.00 41.33 H new ATOM 0 HE1 PHE A 856 8.658 -39.922 20.172 1.00 25.31 H new ATOM 0 HE2 PHE A 856 9.751 -36.737 17.619 1.00 45.22 H new ATOM 0 HZ PHE A 856 8.933 -39.016 17.924 1.00 43.32 H new ATOM 1049 N GLU A 857 12.460 -35.613 24.006 1.00 21.34 N ATOM 1050 CA GLU A 857 13.357 -34.802 24.812 1.00 51.44 C ATOM 1051 C GLU A 857 13.578 -33.440 24.150 1.00 0.32 C ATOM 1052 O GLU A 857 14.064 -33.365 23.023 1.00 52.24 O ATOM 1053 CB GLU A 857 14.687 -35.521 25.044 1.00 1.53 C ATOM 1054 CG GLU A 857 14.474 -37.026 25.213 1.00 65.34 C ATOM 1055 CD GLU A 857 15.576 -37.642 26.078 1.00 33.20 C ATOM 1056 OE1 GLU A 857 16.378 -36.909 26.675 1.00 11.11 O ATOM 1057 OE2 GLU A 857 15.580 -38.932 26.119 1.00 11.51 O ATOM 0 H GLU A 857 12.839 -35.901 23.104 1.00 21.34 H new ATOM 0 HA GLU A 857 12.895 -34.641 25.786 1.00 51.44 H new ATOM 0 HB2 GLU A 857 15.356 -35.337 24.203 1.00 1.53 H new ATOM 0 HB3 GLU A 857 15.173 -35.117 25.932 1.00 1.53 H new ATOM 0 HG2 GLU A 857 13.502 -37.210 25.670 1.00 65.34 H new ATOM 0 HG3 GLU A 857 14.462 -37.507 24.235 1.00 65.34 H new ATOM 1065 N LYS A 858 13.211 -32.397 24.880 1.00 51.40 N ATOM 1066 CA LYS A 858 13.363 -31.041 24.378 1.00 22.43 C ATOM 1067 C LYS A 858 14.571 -30.386 25.051 1.00 14.33 C ATOM 1068 O LYS A 858 14.670 -30.370 26.277 1.00 31.12 O ATOM 1069 CB LYS A 858 12.061 -30.257 24.551 1.00 2.43 C ATOM 1070 CG LYS A 858 11.878 -29.813 26.004 1.00 54.51 C ATOM 1071 CD LYS A 858 12.506 -28.438 26.241 1.00 40.25 C ATOM 1072 CE LYS A 858 12.758 -28.199 27.731 1.00 72.23 C ATOM 1073 NZ LYS A 858 13.547 -29.310 28.307 1.00 23.33 N ATOM 0 H LYS A 858 12.809 -32.463 25.815 1.00 51.40 H new ATOM 0 HA LYS A 858 13.561 -31.050 23.306 1.00 22.43 H new ATOM 0 HB2 LYS A 858 12.068 -29.384 23.898 1.00 2.43 H new ATOM 0 HB3 LYS A 858 11.217 -30.875 24.247 1.00 2.43 H new ATOM 0 HG2 LYS A 858 10.816 -29.778 26.246 1.00 54.51 H new ATOM 0 HG3 LYS A 858 12.333 -30.545 26.672 1.00 54.51 H new ATOM 0 HD2 LYS A 858 13.446 -28.364 25.693 1.00 40.25 H new ATOM 0 HD3 LYS A 858 11.848 -27.662 25.851 1.00 40.25 H new ATOM 0 HE2 LYS A 858 13.289 -27.257 27.870 1.00 72.23 H new ATOM 0 HE3 LYS A 858 11.808 -28.109 28.257 1.00 72.23 H new ATOM 0 HZ1 LYS A 858 14.062 -28.972 29.145 1.00 23.33 H new ATOM 0 HZ2 LYS A 858 12.908 -30.084 28.581 1.00 23.33 H new ATOM 0 HZ3 LYS A 858 14.226 -29.656 27.600 1.00 23.33 H new ATOM 1086 N ARG A 859 15.458 -29.860 24.220 1.00 62.22 N ATOM 1087 CA ARG A 859 16.655 -29.205 24.719 1.00 0.31 C ATOM 1088 C ARG A 859 16.643 -27.721 24.345 1.00 63.45 C ATOM 1089 O ARG A 859 17.676 -27.056 24.398 1.00 4.22 O ATOM 1090 CB ARG A 859 17.917 -29.857 24.152 1.00 5.00 C ATOM 1091 CG ARG A 859 19.089 -29.724 25.128 1.00 73.25 C ATOM 1092 CD ARG A 859 20.303 -30.516 24.638 1.00 73.42 C ATOM 1093 NE ARG A 859 20.189 -31.930 25.061 1.00 73.02 N ATOM 1094 CZ ARG A 859 20.293 -32.348 26.340 1.00 14.13 C ATOM 1095 NH1 ARG A 859 20.514 -31.462 27.335 1.00 40.04 N ATOM 1096 NH2 ARG A 859 20.174 -33.636 26.605 1.00 45.24 N ATOM 0 H ARG A 859 15.372 -29.874 23.204 1.00 62.22 H new ATOM 0 HA ARG A 859 16.662 -29.310 25.804 1.00 0.31 H new ATOM 0 HB2 ARG A 859 17.726 -30.911 23.949 1.00 5.00 H new ATOM 0 HB3 ARG A 859 18.176 -29.391 23.201 1.00 5.00 H new ATOM 0 HG2 ARG A 859 19.357 -28.673 25.239 1.00 73.25 H new ATOM 0 HG3 ARG A 859 18.789 -30.083 26.113 1.00 73.25 H new ATOM 0 HD2 ARG A 859 20.372 -30.457 23.552 1.00 73.42 H new ATOM 0 HD3 ARG A 859 21.218 -30.080 25.039 1.00 73.42 H new ATOM 0 HE ARG A 859 20.021 -32.632 24.341 1.00 73.02 H new ATOM 0 HH11 ARG A 859 20.604 -30.468 27.123 1.00 40.04 H new ATOM 0 HH12 ARG A 859 20.591 -31.786 28.299 1.00 40.04 H new ATOM 0 HH21 ARG A 859 20.006 -34.299 25.848 1.00 45.24 H new ATOM 0 HH22 ARG A 859 20.250 -33.968 27.566 1.00 45.24 H new ATOM 1109 N ALA A 860 15.463 -27.247 23.974 1.00 43.25 N ATOM 1110 CA ALA A 860 15.304 -25.854 23.590 1.00 34.41 C ATOM 1111 C ALA A 860 13.814 -25.539 23.438 1.00 21.43 C ATOM 1112 O ALA A 860 13.005 -26.439 23.215 1.00 3.14 O ATOM 1113 CB ALA A 860 16.090 -25.585 22.306 1.00 44.21 C ATOM 0 H ALA A 860 14.608 -27.802 23.931 1.00 43.25 H new ATOM 0 HA ALA A 860 15.704 -25.195 24.361 1.00 34.41 H new ATOM 0 HB1 ALA A 860 15.971 -24.540 22.018 1.00 44.21 H new ATOM 0 HB2 ALA A 860 17.146 -25.796 22.475 1.00 44.21 H new ATOM 0 HB3 ALA A 860 15.715 -26.226 21.508 1.00 44.21 H new ATOM 1119 N LYS A 861 13.497 -24.259 23.565 1.00 73.31 N ATOM 1120 CA LYS A 861 12.119 -23.814 23.445 1.00 73.44 C ATOM 1121 C LYS A 861 11.918 -23.153 22.079 1.00 22.15 C ATOM 1122 O LYS A 861 12.884 -22.756 21.430 1.00 5.13 O ATOM 1123 CB LYS A 861 11.741 -22.916 24.624 1.00 34.53 C ATOM 1124 CG LYS A 861 11.422 -23.750 25.867 1.00 12.34 C ATOM 1125 CD LYS A 861 12.702 -24.141 26.608 1.00 20.02 C ATOM 1126 CE LYS A 861 13.141 -23.033 27.567 1.00 11.25 C ATOM 1127 NZ LYS A 861 13.691 -21.884 26.815 1.00 42.44 N ATOM 0 H LYS A 861 14.171 -23.516 23.750 1.00 73.31 H new ATOM 0 HA LYS A 861 11.439 -24.665 23.491 1.00 73.44 H new ATOM 0 HB2 LYS A 861 12.560 -22.231 24.842 1.00 34.53 H new ATOM 0 HB3 LYS A 861 10.877 -22.306 24.359 1.00 34.53 H new ATOM 0 HG2 LYS A 861 10.771 -23.183 26.532 1.00 12.34 H new ATOM 0 HG3 LYS A 861 10.877 -24.648 25.577 1.00 12.34 H new ATOM 0 HD2 LYS A 861 12.537 -25.064 27.164 1.00 20.02 H new ATOM 0 HD3 LYS A 861 13.496 -24.340 25.889 1.00 20.02 H new ATOM 0 HE2 LYS A 861 12.293 -22.708 28.169 1.00 11.25 H new ATOM 0 HE3 LYS A 861 13.893 -23.417 28.256 1.00 11.25 H new ATOM 0 HZ1 LYS A 861 14.321 -21.334 27.433 1.00 42.44 H new ATOM 0 HZ2 LYS A 861 14.228 -22.231 25.995 1.00 42.44 H new ATOM 0 HZ3 LYS A 861 12.912 -21.278 26.488 1.00 42.44 H new ATOM 1140 N ILE A 862 10.657 -23.056 21.684 1.00 4.44 N ATOM 1141 CA ILE A 862 10.318 -22.449 20.408 1.00 33.33 C ATOM 1142 C ILE A 862 9.129 -21.505 20.598 1.00 41.34 C ATOM 1143 O ILE A 862 8.215 -21.798 21.367 1.00 4.42 O ATOM 1144 CB ILE A 862 10.084 -23.528 19.348 1.00 13.53 C ATOM 1145 CG1 ILE A 862 8.635 -24.020 19.378 1.00 64.23 C ATOM 1146 CG2 ILE A 862 11.083 -24.676 19.504 1.00 0.41 C ATOM 1147 CD1 ILE A 862 7.762 -23.213 18.415 1.00 61.21 C ATOM 0 H ILE A 862 9.858 -23.387 22.225 1.00 4.44 H new ATOM 0 HA ILE A 862 11.148 -21.847 20.039 1.00 33.33 H new ATOM 0 HB ILE A 862 10.254 -23.086 18.366 1.00 13.53 H new ATOM 0 HG12 ILE A 862 8.600 -25.076 19.109 1.00 64.23 H new ATOM 0 HG13 ILE A 862 8.240 -23.936 20.390 1.00 64.23 H new ATOM 0 HG21 ILE A 862 10.895 -25.429 18.739 1.00 0.41 H new ATOM 0 HG22 ILE A 862 12.098 -24.293 19.394 1.00 0.41 H new ATOM 0 HG23 ILE A 862 10.970 -25.125 20.491 1.00 0.41 H new ATOM 0 HD11 ILE A 862 6.737 -23.583 18.456 1.00 61.21 H new ATOM 0 HD12 ILE A 862 7.780 -22.162 18.702 1.00 61.21 H new ATOM 0 HD13 ILE A 862 8.146 -23.319 17.400 1.00 61.21 H new ATOM 1159 N PHE A 863 9.180 -20.391 19.882 1.00 11.44 N ATOM 1160 CA PHE A 863 8.119 -19.401 19.962 1.00 73.21 C ATOM 1161 C PHE A 863 7.842 -18.782 18.590 1.00 4.14 C ATOM 1162 O PHE A 863 8.539 -19.077 17.620 1.00 31.14 O ATOM 1163 CB PHE A 863 8.599 -18.306 20.916 1.00 43.45 C ATOM 1164 CG PHE A 863 9.141 -18.832 22.246 1.00 33.32 C ATOM 1165 CD1 PHE A 863 8.294 -19.391 23.151 1.00 34.35 C ATOM 1166 CD2 PHE A 863 10.469 -18.741 22.524 1.00 70.44 C ATOM 1167 CE1 PHE A 863 8.796 -19.880 24.386 1.00 20.13 C ATOM 1168 CE2 PHE A 863 10.971 -19.230 23.759 1.00 64.14 C ATOM 1169 CZ PHE A 863 10.124 -19.789 24.664 1.00 63.21 C ATOM 0 H PHE A 863 9.939 -20.152 19.244 1.00 11.44 H new ATOM 0 HA PHE A 863 7.199 -19.869 20.312 1.00 73.21 H new ATOM 0 HB2 PHE A 863 9.378 -17.725 20.423 1.00 43.45 H new ATOM 0 HB3 PHE A 863 7.772 -17.625 21.117 1.00 43.45 H new ATOM 0 HD1 PHE A 863 7.239 -19.463 22.930 1.00 34.35 H new ATOM 0 HD2 PHE A 863 11.142 -18.297 21.805 1.00 70.44 H new ATOM 0 HE1 PHE A 863 8.123 -20.324 25.105 1.00 20.13 H new ATOM 0 HE2 PHE A 863 12.026 -19.158 23.980 1.00 64.14 H new ATOM 0 HZ PHE A 863 10.506 -20.161 25.603 1.00 63.21 H new ATOM 1179 N CYS A 864 6.825 -17.935 18.553 1.00 14.43 N ATOM 1180 CA CYS A 864 6.448 -17.271 17.317 1.00 73.23 C ATOM 1181 C CYS A 864 7.482 -16.183 17.021 1.00 54.01 C ATOM 1182 O CYS A 864 7.982 -15.532 17.937 1.00 51.23 O ATOM 1183 CB CYS A 864 5.028 -16.705 17.388 1.00 30.34 C ATOM 1184 SG CYS A 864 4.905 -15.495 18.755 1.00 30.15 S ATOM 0 H CYS A 864 6.250 -17.693 19.360 1.00 14.43 H new ATOM 0 HA CYS A 864 6.439 -17.994 16.501 1.00 73.23 H new ATOM 0 HB2 CYS A 864 4.771 -16.226 16.443 1.00 30.34 H new ATOM 0 HB3 CYS A 864 4.313 -17.513 17.541 1.00 30.34 H new ATOM 0 HG CYS A 864 5.796 -14.562 18.591 1.00 30.15 H new ATOM 1190 N ALA A 865 7.771 -16.019 15.738 1.00 22.45 N ATOM 1191 CA ALA A 865 8.737 -15.021 15.311 1.00 74.24 C ATOM 1192 C ALA A 865 8.055 -13.653 15.247 1.00 73.12 C ATOM 1193 O ALA A 865 8.725 -12.623 15.194 1.00 62.23 O ATOM 1194 CB ALA A 865 9.338 -15.436 13.966 1.00 23.05 C ATOM 0 H ALA A 865 7.353 -16.560 14.981 1.00 22.45 H new ATOM 0 HA ALA A 865 9.556 -14.948 16.026 1.00 74.24 H new ATOM 0 HB1 ALA A 865 10.063 -14.688 13.645 1.00 23.05 H new ATOM 0 HB2 ALA A 865 9.835 -16.401 14.072 1.00 23.05 H new ATOM 0 HB3 ALA A 865 8.545 -15.516 13.222 1.00 23.05 H new ATOM 1200 N ARG A 866 6.730 -13.687 15.254 1.00 3.42 N ATOM 1201 CA ARG A 866 5.950 -12.462 15.198 1.00 42.02 C ATOM 1202 C ARG A 866 6.379 -11.508 16.314 1.00 13.15 C ATOM 1203 O ARG A 866 7.315 -11.798 17.058 1.00 14.43 O ATOM 1204 CB ARG A 866 4.455 -12.755 15.333 1.00 54.14 C ATOM 1205 CG ARG A 866 3.912 -13.428 14.070 1.00 32.24 C ATOM 1206 CD ARG A 866 3.674 -12.402 12.961 1.00 53.11 C ATOM 1207 NE ARG A 866 2.449 -11.622 13.248 1.00 43.45 N ATOM 1208 CZ ARG A 866 2.011 -10.595 12.489 1.00 43.45 C ATOM 1209 NH1 ARG A 866 2.696 -10.215 11.388 1.00 34.15 N ATOM 1210 NH2 ARG A 866 0.904 -9.967 12.838 1.00 32.23 N ATOM 0 H ARG A 866 6.177 -14.543 15.298 1.00 3.42 H new ATOM 0 HA ARG A 866 6.131 -11.997 14.229 1.00 42.02 H new ATOM 0 HB2 ARG A 866 4.283 -13.399 16.195 1.00 54.14 H new ATOM 0 HB3 ARG A 866 3.914 -11.827 15.516 1.00 54.14 H new ATOM 0 HG2 ARG A 866 4.617 -14.185 13.725 1.00 32.24 H new ATOM 0 HG3 ARG A 866 2.979 -13.943 14.300 1.00 32.24 H new ATOM 0 HD2 ARG A 866 4.531 -11.733 12.883 1.00 53.11 H new ATOM 0 HD3 ARG A 866 3.576 -12.908 12.001 1.00 53.11 H new ATOM 0 HE ARG A 866 1.902 -11.876 14.070 1.00 43.45 H new ATOM 0 HH11 ARG A 866 3.551 -10.705 11.125 1.00 34.15 H new ATOM 0 HH12 ARG A 866 2.358 -9.438 10.820 1.00 34.15 H new ATOM 0 HH21 ARG A 866 0.393 -10.260 13.671 1.00 32.23 H new ATOM 0 HH22 ARG A 866 0.560 -9.189 12.275 1.00 32.23 H new ATOM 1223 N GLN A 867 5.673 -10.389 16.397 1.00 64.43 N ATOM 1224 CA GLN A 867 5.969 -9.391 17.410 1.00 1.11 C ATOM 1225 C GLN A 867 5.735 -9.968 18.808 1.00 51.42 C ATOM 1226 O GLN A 867 6.530 -9.740 19.718 1.00 20.23 O ATOM 1227 CB GLN A 867 5.137 -8.126 17.193 1.00 52.34 C ATOM 1228 CG GLN A 867 5.722 -6.944 17.969 1.00 61.23 C ATOM 1229 CD GLN A 867 5.073 -5.628 17.535 1.00 31.15 C ATOM 1230 OE1 GLN A 867 4.002 -5.597 16.952 1.00 41.14 O ATOM 1231 NE2 GLN A 867 5.779 -4.546 17.853 1.00 34.51 N ATOM 0 H GLN A 867 4.897 -10.152 15.779 1.00 64.43 H new ATOM 0 HA GLN A 867 7.020 -9.114 17.323 1.00 1.11 H new ATOM 0 HB2 GLN A 867 5.103 -7.887 16.130 1.00 52.34 H new ATOM 0 HB3 GLN A 867 4.110 -8.303 17.513 1.00 52.34 H new ATOM 0 HG2 GLN A 867 5.569 -7.094 19.038 1.00 61.23 H new ATOM 0 HG3 GLN A 867 6.799 -6.894 17.805 1.00 61.23 H new ATOM 0 HE21 GLN A 867 6.669 -4.643 18.342 1.00 34.51 H new ATOM 0 HE22 GLN A 867 5.430 -3.619 17.608 1.00 34.51 H new ATOM 1240 N ASN A 868 4.640 -10.703 18.934 1.00 60.11 N ATOM 1241 CA ASN A 868 4.291 -11.314 20.205 1.00 22.12 C ATOM 1242 C ASN A 868 5.420 -12.250 20.643 1.00 53.00 C ATOM 1243 O ASN A 868 5.851 -13.110 19.876 1.00 13.40 O ATOM 1244 CB ASN A 868 3.010 -12.142 20.085 1.00 2.13 C ATOM 1245 CG ASN A 868 1.822 -11.260 19.695 1.00 22.40 C ATOM 1246 OD1 ASN A 868 1.069 -10.882 20.723 1.00 41.02 O flip ATOM 1247 ND2 ASN A 868 1.604 -10.945 18.537 1.00 12.54 N flip ATOM 0 H ASN A 868 3.983 -10.889 18.177 1.00 60.11 H new ATOM 0 HA ASN A 868 4.138 -10.516 20.932 1.00 22.12 H new ATOM 0 HB2 ASN A 868 3.147 -12.925 19.339 1.00 2.13 H new ATOM 0 HB3 ASN A 868 2.803 -12.638 21.033 1.00 2.13 H new ATOM 0 HD21 ASN A 868 2.223 -11.270 17.795 1.00 12.54 H new ATOM 0 HD22 ASN A 868 0.802 -10.356 18.311 1.00 12.54 H new ATOM 1254 N CYS A 869 5.866 -12.051 21.874 1.00 31.25 N ATOM 1255 CA CYS A 869 6.936 -12.867 22.424 1.00 50.35 C ATOM 1256 C CYS A 869 6.335 -13.805 23.472 1.00 62.11 C ATOM 1257 O CYS A 869 6.908 -14.850 23.776 1.00 63.22 O ATOM 1258 CB CYS A 869 8.061 -12.007 23.004 1.00 31.43 C ATOM 1259 SG CYS A 869 9.224 -11.520 21.678 1.00 1.34 S ATOM 0 H CYS A 869 5.506 -11.337 22.507 1.00 31.25 H new ATOM 0 HA CYS A 869 7.392 -13.458 21.630 1.00 50.35 H new ATOM 0 HB2 CYS A 869 7.643 -11.118 23.477 1.00 31.43 H new ATOM 0 HB3 CYS A 869 8.591 -12.561 23.779 1.00 31.43 H new ATOM 0 HG CYS A 869 10.174 -10.788 22.181 1.00 1.34 H new ATOM 1265 N SER A 870 5.188 -13.398 23.996 1.00 63.41 N ATOM 1266 CA SER A 870 4.504 -14.190 25.004 1.00 54.11 C ATOM 1267 C SER A 870 3.514 -15.146 24.335 1.00 23.51 C ATOM 1268 O SER A 870 2.448 -15.425 24.882 1.00 42.22 O ATOM 1269 CB SER A 870 3.778 -13.293 26.009 1.00 21.30 C ATOM 1270 OG SER A 870 2.633 -12.668 25.437 1.00 53.43 O ATOM 0 H SER A 870 4.715 -12.531 23.742 1.00 63.41 H new ATOM 0 HA SER A 870 5.250 -14.770 25.547 1.00 54.11 H new ATOM 0 HB2 SER A 870 3.474 -13.887 26.871 1.00 21.30 H new ATOM 0 HB3 SER A 870 4.464 -12.529 26.374 1.00 21.30 H new ATOM 0 HG SER A 870 2.197 -12.106 26.111 1.00 53.43 H new ATOM 1276 N HIS A 871 3.903 -15.623 23.162 1.00 71.43 N ATOM 1277 CA HIS A 871 3.064 -16.543 22.412 1.00 15.14 C ATOM 1278 C HIS A 871 3.894 -17.748 21.967 1.00 75.41 C ATOM 1279 O HIS A 871 4.602 -17.682 20.964 1.00 63.33 O ATOM 1280 CB HIS A 871 2.382 -15.827 21.244 1.00 24.50 C ATOM 1281 CG HIS A 871 1.280 -14.884 21.661 1.00 55.34 C ATOM 1282 ND1 HIS A 871 0.709 -13.834 21.003 1.00 20.10 N flip ATOM 1283 CD2 HIS A 871 0.642 -14.970 22.886 1.00 42.31 C flip ATOM 1284 CE1 HIS A 871 -0.227 -13.308 21.783 1.00 63.04 C flip ATOM 1285 NE2 HIS A 871 -0.270 -14.011 22.952 1.00 21.24 N flip ATOM 0 H HIS A 871 4.788 -15.390 22.712 1.00 71.43 H new ATOM 0 HA HIS A 871 2.263 -16.915 23.051 1.00 15.14 H new ATOM 0 HB2 HIS A 871 3.133 -15.268 20.686 1.00 24.50 H new ATOM 0 HB3 HIS A 871 1.970 -16.573 20.565 1.00 24.50 H new ATOM 0 HD2 HIS A 871 0.852 -15.696 23.658 1.00 42.31 H new ATOM 0 HE1 HIS A 871 -0.852 -12.463 21.534 1.00 63.04 H new ATOM 0 HE2 HIS A 871 -0.894 -13.830 23.738 1.00 21.24 H new ATOM 1293 N ASP A 872 3.778 -18.822 22.734 1.00 31.15 N ATOM 1294 CA ASP A 872 4.509 -20.041 22.432 1.00 53.14 C ATOM 1295 C ASP A 872 3.591 -21.008 21.681 1.00 14.21 C ATOM 1296 O ASP A 872 2.395 -21.078 21.961 1.00 10.14 O ATOM 1297 CB ASP A 872 4.979 -20.734 23.712 1.00 43.50 C ATOM 1298 CG ASP A 872 5.672 -19.819 24.725 1.00 71.34 C ATOM 1299 OD1 ASP A 872 5.887 -18.626 24.465 1.00 12.12 O ATOM 1300 OD2 ASP A 872 6.000 -20.386 25.836 1.00 63.52 O ATOM 0 H ASP A 872 3.188 -18.873 23.565 1.00 31.15 H new ATOM 0 HA ASP A 872 5.376 -19.773 21.828 1.00 53.14 H new ATOM 0 HB2 ASP A 872 4.118 -21.198 24.193 1.00 43.50 H new ATOM 0 HB3 ASP A 872 5.664 -21.537 23.442 1.00 43.50 H new ATOM 1306 N TRP A 873 4.185 -21.729 20.742 1.00 32.20 N ATOM 1307 CA TRP A 873 3.435 -22.689 19.949 1.00 3.12 C ATOM 1308 C TRP A 873 3.739 -24.088 20.489 1.00 15.24 C ATOM 1309 O TRP A 873 2.823 -24.853 20.789 1.00 25.30 O ATOM 1310 CB TRP A 873 3.757 -22.540 18.461 1.00 73.22 C ATOM 1311 CG TRP A 873 3.387 -21.175 17.878 1.00 40.23 C ATOM 1312 CD1 TRP A 873 2.773 -20.154 18.492 1.00 70.32 C ATOM 1313 CD2 TRP A 873 3.635 -20.720 16.531 1.00 53.43 C ATOM 1314 NE1 TRP A 873 2.607 -19.079 17.643 1.00 43.13 N ATOM 1315 CE2 TRP A 873 3.148 -19.434 16.412 1.00 1.33 C ATOM 1316 CE3 TRP A 873 4.250 -21.373 15.448 1.00 12.32 C ATOM 1317 CZ2 TRP A 873 3.226 -18.691 15.228 1.00 12.44 C ATOM 1318 CZ3 TRP A 873 4.320 -20.616 14.272 1.00 74.50 C ATOM 1319 CH2 TRP A 873 3.834 -19.321 14.137 1.00 64.04 C ATOM 0 H TRP A 873 5.177 -21.668 20.512 1.00 32.20 H new ATOM 0 HA TRP A 873 2.364 -22.508 20.035 1.00 3.12 H new ATOM 0 HB2 TRP A 873 4.823 -22.710 18.312 1.00 73.22 H new ATOM 0 HB3 TRP A 873 3.229 -23.316 17.906 1.00 73.22 H new ATOM 0 HD1 TRP A 873 2.449 -20.171 19.522 1.00 70.32 H new ATOM 0 HE1 TRP A 873 2.168 -18.188 17.875 1.00 43.13 H new ATOM 0 HE3 TRP A 873 4.638 -22.379 15.518 1.00 12.32 H new ATOM 0 HZ2 TRP A 873 2.838 -17.685 15.161 1.00 12.44 H new ATOM 0 HZ3 TRP A 873 4.784 -21.070 13.409 1.00 74.50 H new ATOM 0 HH2 TRP A 873 3.925 -18.803 13.194 1.00 64.04 H new ATOM 1330 N GLY A 874 5.026 -24.379 20.597 1.00 24.35 N ATOM 1331 CA GLY A 874 5.462 -25.673 21.096 1.00 12.34 C ATOM 1332 C GLY A 874 6.885 -25.595 21.653 1.00 71.10 C ATOM 1333 O GLY A 874 7.220 -24.663 22.383 1.00 73.50 O ATOM 0 H GLY A 874 5.782 -23.741 20.348 1.00 24.35 H new ATOM 0 HA2 GLY A 874 4.781 -26.014 21.875 1.00 12.34 H new ATOM 0 HA3 GLY A 874 5.422 -26.409 20.293 1.00 12.34 H new ATOM 1337 N ILE A 875 7.684 -26.586 21.287 1.00 61.32 N ATOM 1338 CA ILE A 875 9.063 -26.642 21.740 1.00 5.14 C ATOM 1339 C ILE A 875 9.917 -27.342 20.680 1.00 15.34 C ATOM 1340 O ILE A 875 9.392 -27.836 19.683 1.00 1.34 O ATOM 1341 CB ILE A 875 9.147 -27.291 23.123 1.00 11.25 C ATOM 1342 CG1 ILE A 875 8.107 -28.403 23.271 1.00 72.21 C ATOM 1343 CG2 ILE A 875 9.024 -26.241 24.230 1.00 62.02 C ATOM 1344 CD1 ILE A 875 8.341 -29.513 22.244 1.00 42.43 C ATOM 0 H ILE A 875 7.402 -27.357 20.681 1.00 61.32 H new ATOM 0 HA ILE A 875 9.465 -25.636 21.860 1.00 5.14 H new ATOM 0 HB ILE A 875 10.129 -27.753 23.224 1.00 11.25 H new ATOM 0 HG12 ILE A 875 8.154 -28.818 24.278 1.00 72.21 H new ATOM 0 HG13 ILE A 875 7.107 -27.990 23.143 1.00 72.21 H new ATOM 0 HG21 ILE A 875 9.087 -26.729 25.203 1.00 62.02 H new ATOM 0 HG22 ILE A 875 9.832 -25.516 24.135 1.00 62.02 H new ATOM 0 HG23 ILE A 875 8.065 -25.730 24.142 1.00 62.02 H new ATOM 0 HD11 ILE A 875 7.588 -30.291 22.371 1.00 42.43 H new ATOM 0 HD12 ILE A 875 8.269 -29.099 21.238 1.00 42.43 H new ATOM 0 HD13 ILE A 875 9.333 -29.941 22.390 1.00 42.43 H new ATOM 1356 N HIS A 876 11.217 -27.361 20.932 1.00 61.50 N ATOM 1357 CA HIS A 876 12.148 -27.992 20.012 1.00 71.53 C ATOM 1358 C HIS A 876 12.552 -29.366 20.552 1.00 50.23 C ATOM 1359 O HIS A 876 13.194 -29.462 21.597 1.00 52.24 O ATOM 1360 CB HIS A 876 13.349 -27.083 19.746 1.00 62.25 C ATOM 1361 CG HIS A 876 13.965 -27.263 18.378 1.00 32.54 C ATOM 1362 ND1 HIS A 876 14.031 -26.243 17.445 1.00 34.44 N ATOM 1363 CD2 HIS A 876 14.542 -28.354 17.798 1.00 70.43 C ATOM 1364 CE1 HIS A 876 14.622 -26.711 16.356 1.00 53.23 C ATOM 1365 NE2 HIS A 876 14.937 -28.019 16.576 1.00 64.42 N ATOM 0 H HIS A 876 11.648 -26.950 21.760 1.00 61.50 H new ATOM 0 HA HIS A 876 11.663 -28.147 19.048 1.00 71.53 H new ATOM 0 HB2 HIS A 876 13.038 -26.045 19.859 1.00 62.25 H new ATOM 0 HB3 HIS A 876 14.110 -27.272 20.503 1.00 62.25 H new ATOM 0 HD2 HIS A 876 14.658 -29.326 18.255 1.00 70.43 H new ATOM 0 HE1 HIS A 876 14.820 -26.154 15.452 1.00 53.23 H new ATOM 0 HE2 HIS A 876 15.400 -28.638 15.911 1.00 64.42 H new ATOM 1373 N VAL A 877 12.159 -30.395 19.815 1.00 43.40 N ATOM 1374 CA VAL A 877 12.472 -31.758 20.207 1.00 64.44 C ATOM 1375 C VAL A 877 13.305 -32.422 19.107 1.00 14.24 C ATOM 1376 O VAL A 877 13.489 -31.851 18.034 1.00 44.33 O ATOM 1377 CB VAL A 877 11.184 -32.521 20.524 1.00 42.34 C ATOM 1378 CG1 VAL A 877 10.715 -32.234 21.951 1.00 20.44 C ATOM 1379 CG2 VAL A 877 10.088 -32.190 19.509 1.00 13.12 C ATOM 0 H VAL A 877 11.627 -30.312 18.949 1.00 43.40 H new ATOM 0 HA VAL A 877 13.071 -31.765 21.118 1.00 64.44 H new ATOM 0 HB VAL A 877 11.398 -33.587 20.450 1.00 42.34 H new ATOM 0 HG11 VAL A 877 9.798 -32.788 22.151 1.00 20.44 H new ATOM 0 HG12 VAL A 877 11.487 -32.542 22.657 1.00 20.44 H new ATOM 0 HG13 VAL A 877 10.526 -31.167 22.064 1.00 20.44 H new ATOM 0 HG21 VAL A 877 9.183 -32.745 19.757 1.00 13.12 H new ATOM 0 HG22 VAL A 877 9.877 -31.121 19.537 1.00 13.12 H new ATOM 0 HG23 VAL A 877 10.422 -32.468 18.509 1.00 13.12 H new ATOM 1389 N LYS A 878 13.784 -33.618 19.413 1.00 24.23 N ATOM 1390 CA LYS A 878 14.593 -34.365 18.465 1.00 75.53 C ATOM 1391 C LYS A 878 14.065 -35.799 18.370 1.00 40.54 C ATOM 1392 O LYS A 878 13.596 -36.358 19.359 1.00 20.15 O ATOM 1393 CB LYS A 878 16.074 -34.279 18.838 1.00 52.13 C ATOM 1394 CG LYS A 878 16.898 -35.299 18.049 1.00 3.43 C ATOM 1395 CD LYS A 878 18.397 -35.037 18.214 1.00 33.10 C ATOM 1396 CE LYS A 878 18.955 -35.791 19.423 1.00 42.23 C ATOM 1397 NZ LYS A 878 18.427 -35.217 20.681 1.00 74.44 N ATOM 0 H LYS A 878 13.628 -34.089 20.304 1.00 24.23 H new ATOM 0 HA LYS A 878 14.514 -33.928 17.470 1.00 75.53 H new ATOM 0 HB2 LYS A 878 16.445 -33.274 18.638 1.00 52.13 H new ATOM 0 HB3 LYS A 878 16.195 -34.457 19.907 1.00 52.13 H new ATOM 0 HG2 LYS A 878 16.661 -36.306 18.391 1.00 3.43 H new ATOM 0 HG3 LYS A 878 16.630 -35.250 16.993 1.00 3.43 H new ATOM 0 HD2 LYS A 878 18.925 -35.346 17.312 1.00 33.10 H new ATOM 0 HD3 LYS A 878 18.572 -33.968 18.335 1.00 33.10 H new ATOM 0 HE2 LYS A 878 18.687 -36.845 19.357 1.00 42.23 H new ATOM 0 HE3 LYS A 878 20.044 -35.738 19.421 1.00 42.23 H new ATOM 0 HZ1 LYS A 878 19.127 -35.342 21.440 1.00 74.44 H new ATOM 0 HZ2 LYS A 878 18.239 -34.203 20.548 1.00 74.44 H new ATOM 0 HZ3 LYS A 878 17.544 -35.702 20.940 1.00 74.44 H new ATOM 1410 N TYR A 879 14.159 -36.351 17.169 1.00 25.43 N ATOM 1411 CA TYR A 879 13.698 -37.709 16.932 1.00 14.50 C ATOM 1412 C TYR A 879 14.768 -38.535 16.216 1.00 2.23 C ATOM 1413 O TYR A 879 15.553 -37.998 15.435 1.00 34.24 O ATOM 1414 CB TYR A 879 12.474 -37.584 16.023 1.00 74.44 C ATOM 1415 CG TYR A 879 11.651 -38.869 15.908 1.00 33.21 C ATOM 1416 CD1 TYR A 879 11.352 -39.601 17.040 1.00 51.54 C ATOM 1417 CD2 TYR A 879 11.207 -39.297 14.673 1.00 42.20 C ATOM 1418 CE1 TYR A 879 10.577 -40.810 16.932 1.00 45.33 C ATOM 1419 CE2 TYR A 879 10.433 -40.506 14.565 1.00 13.01 C ATOM 1420 CZ TYR A 879 10.156 -41.203 15.700 1.00 41.22 C ATOM 1421 OH TYR A 879 9.425 -42.345 15.598 1.00 53.21 O ATOM 0 H TYR A 879 14.547 -35.883 16.350 1.00 25.43 H new ATOM 0 HA TYR A 879 13.471 -38.208 17.874 1.00 14.50 H new ATOM 0 HB2 TYR A 879 11.834 -36.787 16.401 1.00 74.44 H new ATOM 0 HB3 TYR A 879 12.802 -37.285 15.028 1.00 74.44 H new ATOM 0 HD1 TYR A 879 11.699 -39.267 18.006 1.00 51.54 H new ATOM 0 HD2 TYR A 879 11.440 -38.725 13.787 1.00 42.20 H new ATOM 0 HE1 TYR A 879 10.336 -41.391 17.810 1.00 45.33 H new ATOM 0 HE2 TYR A 879 10.080 -40.852 13.605 1.00 13.01 H new ATOM 0 HH TYR A 879 9.192 -42.502 14.659 1.00 53.21 H new ATOM 1431 N LYS A 880 14.766 -39.827 16.508 1.00 22.22 N ATOM 1432 CA LYS A 880 15.727 -40.733 15.902 1.00 4.23 C ATOM 1433 C LYS A 880 15.880 -40.390 14.419 1.00 11.00 C ATOM 1434 O LYS A 880 16.950 -40.576 13.842 1.00 21.10 O ATOM 1435 CB LYS A 880 15.329 -42.187 16.160 1.00 70.45 C ATOM 1436 CG LYS A 880 15.338 -42.502 17.657 1.00 51.21 C ATOM 1437 CD LYS A 880 16.696 -42.171 18.278 1.00 24.44 C ATOM 1438 CE LYS A 880 16.633 -40.865 19.072 1.00 41.22 C ATOM 1439 NZ LYS A 880 16.165 -41.119 20.453 1.00 63.23 N ATOM 0 H LYS A 880 14.114 -40.268 17.156 1.00 22.22 H new ATOM 0 HA LYS A 880 16.708 -40.610 16.360 1.00 4.23 H new ATOM 0 HB2 LYS A 880 14.336 -42.374 15.752 1.00 70.45 H new ATOM 0 HB3 LYS A 880 16.017 -42.854 15.641 1.00 70.45 H new ATOM 0 HG2 LYS A 880 14.556 -41.931 18.157 1.00 51.21 H new ATOM 0 HG3 LYS A 880 15.111 -43.557 17.812 1.00 51.21 H new ATOM 0 HD2 LYS A 880 17.008 -42.984 18.933 1.00 24.44 H new ATOM 0 HD3 LYS A 880 17.448 -42.088 17.493 1.00 24.44 H new ATOM 0 HE2 LYS A 880 17.618 -40.399 19.096 1.00 41.22 H new ATOM 0 HE3 LYS A 880 15.961 -40.164 18.577 1.00 41.22 H new ATOM 0 HZ1 LYS A 880 16.128 -40.222 20.978 1.00 63.23 H new ATOM 0 HZ2 LYS A 880 15.216 -41.543 20.425 1.00 63.23 H new ATOM 0 HZ3 LYS A 880 16.822 -41.771 20.928 1.00 63.23 H new ATOM 1452 N THR A 881 14.794 -39.895 13.844 1.00 34.12 N ATOM 1453 CA THR A 881 14.793 -39.525 12.439 1.00 0.52 C ATOM 1454 C THR A 881 15.627 -38.261 12.221 1.00 44.13 C ATOM 1455 O THR A 881 16.725 -38.325 11.669 1.00 21.15 O ATOM 1456 CB THR A 881 13.338 -39.377 11.990 1.00 60.33 C ATOM 1457 OG1 THR A 881 12.709 -40.569 12.454 1.00 11.51 O ATOM 1458 CG2 THR A 881 13.185 -39.444 10.469 1.00 44.03 C ATOM 0 H THR A 881 13.908 -39.741 14.326 1.00 34.12 H new ATOM 0 HA THR A 881 15.260 -40.296 11.826 1.00 0.52 H new ATOM 0 HB THR A 881 12.940 -38.430 12.354 1.00 60.33 H new ATOM 0 HG1 THR A 881 11.960 -40.336 13.042 1.00 11.51 H new ATOM 0 HG21 THR A 881 12.133 -39.334 10.204 1.00 44.03 H new ATOM 0 HG22 THR A 881 13.761 -38.641 10.010 1.00 44.03 H new ATOM 0 HG23 THR A 881 13.551 -40.405 10.108 1.00 44.03 H new ATOM 1466 N PHE A 882 15.075 -37.141 12.664 1.00 33.52 N ATOM 1467 CA PHE A 882 15.754 -35.865 12.524 1.00 2.31 C ATOM 1468 C PHE A 882 15.376 -34.914 13.662 1.00 73.41 C ATOM 1469 O PHE A 882 14.500 -35.224 14.468 1.00 0.44 O ATOM 1470 CB PHE A 882 15.297 -35.258 11.196 1.00 63.42 C ATOM 1471 CG PHE A 882 16.142 -35.685 9.994 1.00 45.23 C ATOM 1472 CD1 PHE A 882 17.340 -35.085 9.757 1.00 12.12 C ATOM 1473 CD2 PHE A 882 15.696 -36.664 9.162 1.00 43.12 C ATOM 1474 CE1 PHE A 882 18.124 -35.481 8.642 1.00 43.24 C ATOM 1475 CE2 PHE A 882 16.481 -37.060 8.046 1.00 14.33 C ATOM 1476 CZ PHE A 882 17.678 -36.460 7.810 1.00 41.13 C ATOM 0 H PHE A 882 14.164 -37.091 13.121 1.00 33.52 H new ATOM 0 HA PHE A 882 16.833 -36.014 12.554 1.00 2.31 H new ATOM 0 HB2 PHE A 882 14.260 -35.541 11.017 1.00 63.42 H new ATOM 0 HB3 PHE A 882 15.322 -34.171 11.277 1.00 63.42 H new ATOM 0 HD1 PHE A 882 17.694 -34.307 10.417 1.00 12.12 H new ATOM 0 HD2 PHE A 882 14.745 -37.140 9.350 1.00 43.12 H new ATOM 0 HE1 PHE A 882 19.075 -35.005 8.454 1.00 43.24 H new ATOM 0 HE2 PHE A 882 16.127 -37.837 7.385 1.00 14.33 H new ATOM 0 HZ PHE A 882 18.275 -36.761 6.962 1.00 41.13 H new ATOM 1486 N GLU A 883 16.055 -33.777 13.691 1.00 55.15 N ATOM 1487 CA GLU A 883 15.800 -32.779 14.716 1.00 25.41 C ATOM 1488 C GLU A 883 14.832 -31.716 14.194 1.00 32.32 C ATOM 1489 O GLU A 883 15.235 -30.802 13.477 1.00 64.32 O ATOM 1490 CB GLU A 883 17.106 -32.143 15.197 1.00 11.21 C ATOM 1491 CG GLU A 883 17.980 -31.723 14.014 1.00 70.15 C ATOM 1492 CD GLU A 883 18.924 -30.585 14.406 1.00 65.11 C ATOM 1493 OE1 GLU A 883 19.076 -30.289 15.600 1.00 23.45 O ATOM 1494 OE2 GLU A 883 19.513 -30.000 13.418 1.00 22.22 O ATOM 0 H GLU A 883 16.782 -33.524 13.021 1.00 55.15 H new ATOM 0 HA GLU A 883 15.338 -33.273 15.570 1.00 25.41 H new ATOM 0 HB2 GLU A 883 16.885 -31.274 15.817 1.00 11.21 H new ATOM 0 HB3 GLU A 883 17.650 -32.850 15.823 1.00 11.21 H new ATOM 0 HG2 GLU A 883 18.560 -32.577 13.665 1.00 70.15 H new ATOM 0 HG3 GLU A 883 17.348 -31.406 13.185 1.00 70.15 H new ATOM 1502 N ILE A 884 13.572 -31.871 14.575 1.00 62.33 N ATOM 1503 CA ILE A 884 12.543 -30.936 14.154 1.00 12.01 C ATOM 1504 C ILE A 884 11.585 -30.681 15.319 1.00 14.12 C ATOM 1505 O ILE A 884 11.444 -31.521 16.207 1.00 54.41 O ATOM 1506 CB ILE A 884 11.849 -31.437 12.886 1.00 62.32 C ATOM 1507 CG1 ILE A 884 11.807 -32.966 12.852 1.00 62.51 C ATOM 1508 CG2 ILE A 884 12.507 -30.854 11.634 1.00 64.02 C ATOM 1509 CD1 ILE A 884 10.871 -33.513 13.931 1.00 32.32 C ATOM 0 H ILE A 884 13.241 -32.630 15.171 1.00 62.33 H new ATOM 0 HA ILE A 884 12.986 -29.976 13.888 1.00 12.01 H new ATOM 0 HB ILE A 884 10.817 -31.087 12.900 1.00 62.32 H new ATOM 0 HG12 ILE A 884 11.472 -33.302 11.871 1.00 62.51 H new ATOM 0 HG13 ILE A 884 12.811 -33.364 13.000 1.00 62.51 H new ATOM 0 HG21 ILE A 884 11.995 -31.226 10.747 1.00 64.02 H new ATOM 0 HG22 ILE A 884 12.441 -29.766 11.661 1.00 64.02 H new ATOM 0 HG23 ILE A 884 13.554 -31.154 11.600 1.00 64.02 H new ATOM 0 HD11 ILE A 884 10.860 -34.602 13.885 1.00 32.32 H new ATOM 0 HD12 ILE A 884 11.222 -33.195 14.913 1.00 32.32 H new ATOM 0 HD13 ILE A 884 9.863 -33.132 13.765 1.00 32.32 H new ATOM 1521 N PRO A 885 10.934 -29.488 15.277 1.00 12.55 N ATOM 1522 CA PRO A 885 9.993 -29.111 16.319 1.00 71.32 C ATOM 1523 C PRO A 885 8.675 -29.874 16.169 1.00 22.41 C ATOM 1524 O PRO A 885 8.277 -30.221 15.058 1.00 23.10 O ATOM 1525 CB PRO A 885 9.828 -27.607 16.175 1.00 31.23 C ATOM 1526 CG PRO A 885 10.315 -27.266 14.776 1.00 22.05 C ATOM 1527 CD PRO A 885 11.076 -28.468 14.242 1.00 72.43 C ATOM 0 HA PRO A 885 10.347 -29.365 17.318 1.00 71.32 H new ATOM 0 HB2 PRO A 885 8.787 -27.314 16.308 1.00 31.23 H new ATOM 0 HB3 PRO A 885 10.408 -27.076 16.930 1.00 31.23 H new ATOM 0 HG2 PRO A 885 9.473 -27.028 14.126 1.00 22.05 H new ATOM 0 HG3 PRO A 885 10.958 -26.386 14.799 1.00 22.05 H new ATOM 0 HD2 PRO A 885 10.663 -28.808 13.292 1.00 72.43 H new ATOM 0 HD3 PRO A 885 12.124 -28.226 14.066 1.00 72.43 H new ATOM 1535 N VAL A 886 8.035 -30.114 17.304 1.00 53.41 N ATOM 1536 CA VAL A 886 6.770 -30.829 17.313 1.00 21.11 C ATOM 1537 C VAL A 886 5.706 -29.966 17.994 1.00 32.41 C ATOM 1538 O VAL A 886 5.843 -29.614 19.165 1.00 73.42 O ATOM 1539 CB VAL A 886 6.947 -32.196 17.978 1.00 51.12 C ATOM 1540 CG1 VAL A 886 5.607 -32.924 18.100 1.00 14.50 C ATOM 1541 CG2 VAL A 886 7.966 -33.047 17.218 1.00 71.32 C ATOM 0 H VAL A 886 8.369 -29.826 18.224 1.00 53.41 H new ATOM 0 HA VAL A 886 6.431 -31.019 16.295 1.00 21.11 H new ATOM 0 HB VAL A 886 7.332 -32.032 18.985 1.00 51.12 H new ATOM 0 HG11 VAL A 886 5.761 -33.893 18.576 1.00 14.50 H new ATOM 0 HG12 VAL A 886 4.923 -32.328 18.704 1.00 14.50 H new ATOM 0 HG13 VAL A 886 5.181 -33.071 17.107 1.00 14.50 H new ATOM 0 HG21 VAL A 886 8.073 -34.013 17.711 1.00 71.32 H new ATOM 0 HG22 VAL A 886 7.623 -33.198 16.195 1.00 71.32 H new ATOM 0 HG23 VAL A 886 8.929 -32.537 17.206 1.00 71.32 H new ATOM 1551 N ILE A 887 4.669 -29.650 17.232 1.00 62.51 N ATOM 1552 CA ILE A 887 3.582 -28.836 17.747 1.00 1.51 C ATOM 1553 C ILE A 887 2.322 -29.694 17.872 1.00 32.01 C ATOM 1554 O ILE A 887 2.331 -30.872 17.518 1.00 24.15 O ATOM 1555 CB ILE A 887 3.393 -27.587 16.883 1.00 15.14 C ATOM 1556 CG1 ILE A 887 4.729 -27.106 16.314 1.00 72.21 C ATOM 1557 CG2 ILE A 887 2.672 -26.485 17.663 1.00 21.12 C ATOM 1558 CD1 ILE A 887 4.545 -25.835 15.482 1.00 31.13 C ATOM 0 H ILE A 887 4.559 -29.943 16.261 1.00 62.51 H new ATOM 0 HA ILE A 887 3.819 -28.472 18.746 1.00 1.51 H new ATOM 0 HB ILE A 887 2.759 -27.850 16.036 1.00 15.14 H new ATOM 0 HG12 ILE A 887 5.427 -26.914 17.129 1.00 72.21 H new ATOM 0 HG13 ILE A 887 5.168 -27.889 15.696 1.00 72.21 H new ATOM 0 HG21 ILE A 887 2.550 -25.609 17.026 1.00 21.12 H new ATOM 0 HG22 ILE A 887 1.692 -26.844 17.978 1.00 21.12 H new ATOM 0 HG23 ILE A 887 3.259 -26.217 18.541 1.00 21.12 H new ATOM 0 HD11 ILE A 887 5.510 -25.514 15.089 1.00 31.13 H new ATOM 0 HD12 ILE A 887 3.865 -26.037 14.654 1.00 31.13 H new ATOM 0 HD13 ILE A 887 4.128 -25.047 16.109 1.00 31.13 H new ATOM 1570 N LYS A 888 1.267 -29.070 18.376 1.00 22.31 N ATOM 1571 CA LYS A 888 0.002 -29.763 18.552 1.00 12.51 C ATOM 1572 C LYS A 888 -0.949 -29.374 17.418 1.00 12.34 C ATOM 1573 O LYS A 888 -0.632 -28.505 16.607 1.00 25.51 O ATOM 1574 CB LYS A 888 -0.565 -29.497 19.948 1.00 3.33 C ATOM 1575 CG LYS A 888 -0.735 -27.996 20.194 1.00 34.32 C ATOM 1576 CD LYS A 888 -1.476 -27.737 21.508 1.00 43.31 C ATOM 1577 CE LYS A 888 -0.527 -27.846 22.703 1.00 63.41 C ATOM 1578 NZ LYS A 888 0.262 -26.603 22.854 1.00 31.13 N ATOM 0 H LYS A 888 1.262 -28.093 18.668 1.00 22.31 H new ATOM 0 HA LYS A 888 0.147 -30.842 18.492 1.00 12.51 H new ATOM 0 HB2 LYS A 888 -1.527 -29.998 20.055 1.00 3.33 H new ATOM 0 HB3 LYS A 888 0.100 -29.920 20.701 1.00 3.33 H new ATOM 0 HG2 LYS A 888 0.243 -27.515 20.223 1.00 34.32 H new ATOM 0 HG3 LYS A 888 -1.286 -27.548 19.367 1.00 34.32 H new ATOM 0 HD2 LYS A 888 -1.927 -26.745 21.486 1.00 43.31 H new ATOM 0 HD3 LYS A 888 -2.289 -28.454 21.618 1.00 43.31 H new ATOM 0 HE2 LYS A 888 -1.098 -28.034 23.612 1.00 63.41 H new ATOM 0 HE3 LYS A 888 0.143 -28.695 22.566 1.00 63.41 H new ATOM 0 HZ1 LYS A 888 1.167 -26.820 23.319 1.00 31.13 H new ATOM 0 HZ2 LYS A 888 0.445 -26.192 21.916 1.00 31.13 H new ATOM 0 HZ3 LYS A 888 -0.270 -25.922 23.433 1.00 31.13 H new ATOM 1591 N ILE A 889 -2.097 -30.035 17.398 1.00 21.55 N ATOM 1592 CA ILE A 889 -3.096 -29.770 16.378 1.00 52.04 C ATOM 1593 C ILE A 889 -3.944 -28.569 16.800 1.00 11.53 C ATOM 1594 O ILE A 889 -4.432 -27.821 15.955 1.00 52.53 O ATOM 1595 CB ILE A 889 -3.915 -31.030 16.089 1.00 13.33 C ATOM 1596 CG1 ILE A 889 -4.430 -31.031 14.649 1.00 54.15 C ATOM 1597 CG2 ILE A 889 -5.049 -31.190 17.104 1.00 74.43 C ATOM 1598 CD1 ILE A 889 -5.470 -32.134 14.439 1.00 52.40 C ATOM 0 H ILE A 889 -2.357 -30.754 18.073 1.00 21.55 H new ATOM 0 HA ILE A 889 -2.616 -29.507 15.435 1.00 52.04 H new ATOM 0 HB ILE A 889 -3.261 -31.895 16.197 1.00 13.33 H new ATOM 0 HG12 ILE A 889 -4.871 -30.062 14.416 1.00 54.15 H new ATOM 0 HG13 ILE A 889 -3.597 -31.176 13.961 1.00 54.15 H new ATOM 0 HG21 ILE A 889 -5.616 -32.093 16.877 1.00 74.43 H new ATOM 0 HG22 ILE A 889 -4.631 -31.267 18.108 1.00 74.43 H new ATOM 0 HG23 ILE A 889 -5.709 -30.324 17.052 1.00 74.43 H new ATOM 0 HD11 ILE A 889 -5.820 -32.113 13.407 1.00 52.40 H new ATOM 0 HD12 ILE A 889 -5.019 -33.104 14.649 1.00 52.40 H new ATOM 0 HD13 ILE A 889 -6.313 -31.972 15.111 1.00 52.40 H new ATOM 1610 N GLU A 890 -4.093 -28.421 18.108 1.00 12.15 N ATOM 1611 CA GLU A 890 -4.874 -27.323 18.654 1.00 65.14 C ATOM 1612 C GLU A 890 -3.973 -26.116 18.927 1.00 74.41 C ATOM 1613 O GLU A 890 -4.225 -25.347 19.853 1.00 53.33 O ATOM 1614 CB GLU A 890 -5.614 -27.753 19.922 1.00 62.34 C ATOM 1615 CG GLU A 890 -4.635 -27.994 21.073 1.00 72.42 C ATOM 1616 CD GLU A 890 -5.362 -27.994 22.419 1.00 2.23 C ATOM 1617 OE1 GLU A 890 -5.300 -26.999 23.157 1.00 43.12 O ATOM 1618 OE2 GLU A 890 -6.010 -29.076 22.690 1.00 63.04 O ATOM 0 H GLU A 890 -3.686 -29.043 18.806 1.00 12.15 H new ATOM 0 HA GLU A 890 -5.623 -27.034 17.917 1.00 65.14 H new ATOM 0 HB2 GLU A 890 -6.333 -26.984 20.206 1.00 62.34 H new ATOM 0 HB3 GLU A 890 -6.181 -28.663 19.726 1.00 62.34 H new ATOM 0 HG2 GLU A 890 -4.127 -28.948 20.930 1.00 72.42 H new ATOM 0 HG3 GLU A 890 -3.867 -27.220 21.070 1.00 72.42 H new ATOM 1626 N SER A 891 -2.943 -25.989 18.104 1.00 24.14 N ATOM 1627 CA SER A 891 -2.004 -24.889 18.246 1.00 63.11 C ATOM 1628 C SER A 891 -2.281 -23.825 17.182 1.00 4.21 C ATOM 1629 O SER A 891 -2.138 -22.631 17.442 1.00 40.15 O ATOM 1630 CB SER A 891 -0.559 -25.381 18.141 1.00 61.31 C ATOM 1631 OG SER A 891 0.337 -24.333 17.781 1.00 62.41 O ATOM 0 H SER A 891 -2.738 -26.629 17.337 1.00 24.14 H new ATOM 0 HA SER A 891 -2.138 -24.450 19.234 1.00 63.11 H new ATOM 0 HB2 SER A 891 -0.252 -25.809 19.095 1.00 61.31 H new ATOM 0 HB3 SER A 891 -0.500 -26.178 17.400 1.00 61.31 H new ATOM 0 HG SER A 891 1.097 -24.325 18.400 1.00 62.41 H new ATOM 1637 N PHE A 892 -2.671 -24.296 16.007 1.00 34.02 N ATOM 1638 CA PHE A 892 -2.970 -23.400 14.903 1.00 5.30 C ATOM 1639 C PHE A 892 -4.262 -23.813 14.195 1.00 3.52 C ATOM 1640 O PHE A 892 -4.736 -24.935 14.366 1.00 42.43 O ATOM 1641 CB PHE A 892 -1.805 -23.504 13.916 1.00 55.14 C ATOM 1642 CG PHE A 892 -1.237 -24.917 13.771 1.00 5.13 C ATOM 1643 CD1 PHE A 892 -1.987 -25.897 13.202 1.00 74.42 C ATOM 1644 CD2 PHE A 892 0.020 -25.192 14.212 1.00 22.23 C ATOM 1645 CE1 PHE A 892 -1.459 -27.209 13.068 1.00 54.33 C ATOM 1646 CE2 PHE A 892 0.548 -26.504 14.078 1.00 2.53 C ATOM 1647 CZ PHE A 892 -0.203 -27.484 13.509 1.00 64.12 C ATOM 0 H PHE A 892 -2.787 -25.287 15.795 1.00 34.02 H new ATOM 0 HA PHE A 892 -3.101 -22.383 15.273 1.00 5.30 H new ATOM 0 HB2 PHE A 892 -2.138 -23.155 12.938 1.00 55.14 H new ATOM 0 HB3 PHE A 892 -1.008 -22.834 14.239 1.00 55.14 H new ATOM 0 HD1 PHE A 892 -2.985 -25.678 12.852 1.00 74.42 H new ATOM 0 HD2 PHE A 892 0.616 -24.413 14.664 1.00 22.23 H new ATOM 0 HE1 PHE A 892 -2.055 -27.988 12.616 1.00 54.33 H new ATOM 0 HE2 PHE A 892 1.546 -26.723 14.428 1.00 2.53 H new ATOM 0 HZ PHE A 892 0.198 -28.481 13.407 1.00 64.12 H new ATOM 1657 N VAL A 893 -4.795 -22.883 13.416 1.00 64.23 N ATOM 1658 CA VAL A 893 -6.023 -23.136 12.681 1.00 24.34 C ATOM 1659 C VAL A 893 -5.678 -23.601 11.265 1.00 51.31 C ATOM 1660 O VAL A 893 -4.523 -23.529 10.848 1.00 71.10 O ATOM 1661 CB VAL A 893 -6.911 -21.891 12.703 1.00 74.13 C ATOM 1662 CG1 VAL A 893 -6.844 -21.193 14.062 1.00 13.14 C ATOM 1663 CG2 VAL A 893 -6.535 -20.930 11.573 1.00 13.34 C ATOM 0 H VAL A 893 -4.399 -21.953 13.278 1.00 64.23 H new ATOM 0 HA VAL A 893 -6.595 -23.934 13.154 1.00 24.34 H new ATOM 0 HB VAL A 893 -7.941 -22.211 12.542 1.00 74.13 H new ATOM 0 HG11 VAL A 893 -7.485 -20.311 14.050 1.00 13.14 H new ATOM 0 HG12 VAL A 893 -7.183 -21.877 14.840 1.00 13.14 H new ATOM 0 HG13 VAL A 893 -5.816 -20.892 14.266 1.00 13.14 H new ATOM 0 HG21 VAL A 893 -7.181 -20.053 11.611 1.00 13.34 H new ATOM 0 HG22 VAL A 893 -5.496 -20.621 11.689 1.00 13.34 H new ATOM 0 HG23 VAL A 893 -6.659 -21.431 10.613 1.00 13.34 H new ATOM 1673 N VAL A 894 -6.701 -24.067 10.564 1.00 54.40 N ATOM 1674 CA VAL A 894 -6.521 -24.543 9.203 1.00 54.41 C ATOM 1675 C VAL A 894 -7.484 -23.798 8.275 1.00 22.14 C ATOM 1676 O VAL A 894 -8.677 -24.094 8.246 1.00 13.04 O ATOM 1677 CB VAL A 894 -6.697 -26.062 9.152 1.00 14.33 C ATOM 1678 CG1 VAL A 894 -5.887 -26.669 8.006 1.00 74.55 C ATOM 1679 CG2 VAL A 894 -6.321 -26.702 10.490 1.00 65.13 C ATOM 0 H VAL A 894 -7.658 -24.125 10.913 1.00 54.40 H new ATOM 0 HA VAL A 894 -5.509 -24.335 8.856 1.00 54.41 H new ATOM 0 HB VAL A 894 -7.750 -26.272 8.965 1.00 14.33 H new ATOM 0 HG11 VAL A 894 -6.030 -27.750 7.992 1.00 74.55 H new ATOM 0 HG12 VAL A 894 -6.223 -26.246 7.059 1.00 74.55 H new ATOM 0 HG13 VAL A 894 -4.830 -26.444 8.149 1.00 74.55 H new ATOM 0 HG21 VAL A 894 -6.455 -27.782 10.427 1.00 65.13 H new ATOM 0 HG22 VAL A 894 -5.279 -26.478 10.720 1.00 65.13 H new ATOM 0 HG23 VAL A 894 -6.961 -26.302 11.277 1.00 65.13 H new ATOM 1689 N GLU A 895 -6.929 -22.846 7.540 1.00 64.11 N ATOM 1690 CA GLU A 895 -7.723 -22.057 6.614 1.00 43.13 C ATOM 1691 C GLU A 895 -7.416 -22.464 5.171 1.00 4.41 C ATOM 1692 O GLU A 895 -6.284 -22.322 4.710 1.00 30.31 O ATOM 1693 CB GLU A 895 -7.484 -20.560 6.824 1.00 30.41 C ATOM 1694 CG GLU A 895 -8.708 -19.745 6.401 1.00 22.22 C ATOM 1695 CD GLU A 895 -8.617 -18.309 6.922 1.00 63.41 C ATOM 1696 OE1 GLU A 895 -9.464 -17.885 7.722 1.00 23.21 O ATOM 1697 OE2 GLU A 895 -7.621 -17.627 6.467 1.00 53.51 O ATOM 0 H GLU A 895 -5.939 -22.603 7.567 1.00 64.11 H new ATOM 0 HA GLU A 895 -8.777 -22.254 6.810 1.00 43.13 H new ATOM 0 HB2 GLU A 895 -7.259 -20.368 7.873 1.00 30.41 H new ATOM 0 HB3 GLU A 895 -6.615 -20.243 6.248 1.00 30.41 H new ATOM 0 HG2 GLU A 895 -8.786 -19.737 5.314 1.00 22.22 H new ATOM 0 HG3 GLU A 895 -9.613 -20.217 6.782 1.00 22.22 H new ATOM 1705 N ASP A 896 -8.443 -22.961 4.499 1.00 53.55 N ATOM 1706 CA ASP A 896 -8.297 -23.389 3.118 1.00 54.33 C ATOM 1707 C ASP A 896 -8.104 -22.161 2.225 1.00 10.03 C ATOM 1708 O ASP A 896 -8.674 -21.103 2.487 1.00 12.00 O ATOM 1709 CB ASP A 896 -9.546 -24.131 2.636 1.00 24.05 C ATOM 1710 CG ASP A 896 -9.305 -25.570 2.176 1.00 62.02 C ATOM 1711 OD1 ASP A 896 -8.548 -25.818 1.225 1.00 31.24 O ATOM 1712 OD2 ASP A 896 -9.941 -26.471 2.846 1.00 42.53 O ATOM 0 H ASP A 896 -9.380 -23.077 4.885 1.00 53.55 H new ATOM 0 HA ASP A 896 -7.436 -24.055 3.061 1.00 54.33 H new ATOM 0 HB2 ASP A 896 -10.278 -24.141 3.443 1.00 24.05 H new ATOM 0 HB3 ASP A 896 -9.988 -23.571 1.812 1.00 24.05 H new ATOM 1718 N ILE A 897 -7.298 -22.343 1.190 1.00 41.13 N ATOM 1719 CA ILE A 897 -7.022 -21.263 0.257 1.00 33.22 C ATOM 1720 C ILE A 897 -8.073 -21.275 -0.855 1.00 62.11 C ATOM 1721 O ILE A 897 -8.181 -20.319 -1.622 1.00 31.42 O ATOM 1722 CB ILE A 897 -5.583 -21.352 -0.255 1.00 53.10 C ATOM 1723 CG1 ILE A 897 -4.655 -21.930 0.815 1.00 0.43 C ATOM 1724 CG2 ILE A 897 -5.097 -19.993 -0.762 1.00 52.25 C ATOM 1725 CD1 ILE A 897 -4.264 -23.371 0.482 1.00 13.03 C ATOM 0 H ILE A 897 -6.827 -23.222 0.976 1.00 41.13 H new ATOM 0 HA ILE A 897 -7.098 -20.298 0.758 1.00 33.22 H new ATOM 0 HB ILE A 897 -5.563 -22.038 -1.102 1.00 53.10 H new ATOM 0 HG12 ILE A 897 -3.758 -21.315 0.894 1.00 0.43 H new ATOM 0 HG13 ILE A 897 -5.150 -21.899 1.786 1.00 0.43 H new ATOM 0 HG21 ILE A 897 -4.072 -20.084 -1.120 1.00 52.25 H new ATOM 0 HG22 ILE A 897 -5.738 -19.658 -1.578 1.00 52.25 H new ATOM 0 HG23 ILE A 897 -5.135 -19.267 0.050 1.00 52.25 H new ATOM 0 HD11 ILE A 897 -3.604 -23.758 1.259 1.00 13.03 H new ATOM 0 HD12 ILE A 897 -5.161 -23.988 0.427 1.00 13.03 H new ATOM 0 HD13 ILE A 897 -3.748 -23.395 -0.478 1.00 13.03 H new ATOM 1737 N ALA A 898 -8.820 -22.368 -0.908 1.00 11.13 N ATOM 1738 CA ALA A 898 -9.858 -22.517 -1.913 1.00 53.24 C ATOM 1739 C ALA A 898 -11.222 -22.244 -1.276 1.00 74.33 C ATOM 1740 O ALA A 898 -12.248 -22.290 -1.954 1.00 31.04 O ATOM 1741 CB ALA A 898 -9.773 -23.913 -2.533 1.00 24.22 C ATOM 0 H ALA A 898 -8.727 -23.159 -0.271 1.00 11.13 H new ATOM 0 HA ALA A 898 -9.719 -21.795 -2.717 1.00 53.24 H new ATOM 0 HB1 ALA A 898 -10.552 -24.024 -3.287 1.00 24.22 H new ATOM 0 HB2 ALA A 898 -8.796 -24.046 -2.998 1.00 24.22 H new ATOM 0 HB3 ALA A 898 -9.910 -24.665 -1.756 1.00 24.22 H new ATOM 1747 N THR A 899 -11.190 -21.967 0.019 1.00 50.22 N ATOM 1748 CA THR A 899 -12.411 -21.687 0.755 1.00 52.11 C ATOM 1749 C THR A 899 -12.202 -20.507 1.706 1.00 23.34 C ATOM 1750 O THR A 899 -13.017 -19.587 1.749 1.00 31.44 O ATOM 1751 CB THR A 899 -12.840 -22.972 1.466 1.00 60.25 C ATOM 1752 OG1 THR A 899 -11.980 -23.046 2.599 1.00 1.53 O ATOM 1753 CG2 THR A 899 -12.502 -24.228 0.659 1.00 4.24 C ATOM 0 H THR A 899 -10.337 -21.930 0.578 1.00 50.22 H new ATOM 0 HA THR A 899 -13.216 -21.385 0.085 1.00 52.11 H new ATOM 0 HB THR A 899 -13.913 -22.940 1.657 1.00 60.25 H new ATOM 0 HG1 THR A 899 -12.376 -23.638 3.272 1.00 1.53 H new ATOM 0 HG21 THR A 899 -12.827 -25.112 1.208 1.00 4.24 H new ATOM 0 HG22 THR A 899 -13.012 -24.190 -0.303 1.00 4.24 H new ATOM 0 HG23 THR A 899 -11.425 -24.278 0.497 1.00 4.24 H new ATOM 1761 N GLY A 900 -11.104 -20.573 2.446 1.00 54.40 N ATOM 1762 CA GLY A 900 -10.777 -19.521 3.394 1.00 33.43 C ATOM 1763 C GLY A 900 -11.393 -19.809 4.765 1.00 1.32 C ATOM 1764 O GLY A 900 -11.360 -18.960 5.655 1.00 44.22 O ATOM 0 H GLY A 900 -10.430 -21.338 2.408 1.00 54.40 H new ATOM 0 HA2 GLY A 900 -9.695 -19.435 3.488 1.00 33.43 H new ATOM 0 HA3 GLY A 900 -11.142 -18.564 3.021 1.00 33.43 H new ATOM 1768 N VAL A 901 -11.940 -21.008 4.893 1.00 73.41 N ATOM 1769 CA VAL A 901 -12.562 -21.418 6.140 1.00 35.34 C ATOM 1770 C VAL A 901 -11.482 -21.900 7.110 1.00 24.40 C ATOM 1771 O VAL A 901 -10.860 -22.938 6.886 1.00 2.21 O ATOM 1772 CB VAL A 901 -13.635 -22.474 5.868 1.00 74.51 C ATOM 1773 CG1 VAL A 901 -14.411 -22.810 7.143 1.00 0.13 C ATOM 1774 CG2 VAL A 901 -14.581 -22.021 4.754 1.00 12.42 C ATOM 0 H VAL A 901 -11.966 -21.710 4.153 1.00 73.41 H new ATOM 0 HA VAL A 901 -13.067 -20.574 6.609 1.00 35.34 H new ATOM 0 HB VAL A 901 -13.133 -23.382 5.533 1.00 74.51 H new ATOM 0 HG11 VAL A 901 -15.167 -23.563 6.921 1.00 0.13 H new ATOM 0 HG12 VAL A 901 -13.724 -23.197 7.896 1.00 0.13 H new ATOM 0 HG13 VAL A 901 -14.895 -21.910 7.522 1.00 0.13 H new ATOM 0 HG21 VAL A 901 -15.334 -22.790 4.581 1.00 12.42 H new ATOM 0 HG22 VAL A 901 -15.071 -21.093 5.048 1.00 12.42 H new ATOM 0 HG23 VAL A 901 -14.013 -21.857 3.838 1.00 12.42 H new ATOM 1784 N GLN A 902 -11.291 -21.124 8.167 1.00 61.42 N ATOM 1785 CA GLN A 902 -10.296 -21.459 9.171 1.00 21.34 C ATOM 1786 C GLN A 902 -10.957 -22.158 10.361 1.00 70.40 C ATOM 1787 O GLN A 902 -12.043 -21.771 10.788 1.00 54.40 O ATOM 1788 CB GLN A 902 -9.532 -20.213 9.623 1.00 21.12 C ATOM 1789 CG GLN A 902 -10.492 -19.137 10.136 1.00 63.34 C ATOM 1790 CD GLN A 902 -9.802 -18.228 11.154 1.00 11.44 C ATOM 1791 OE1 GLN A 902 -10.400 -17.754 12.107 1.00 64.11 O ATOM 1792 NE2 GLN A 902 -8.515 -18.011 10.902 1.00 45.44 N ATOM 0 H GLN A 902 -11.809 -20.264 8.350 1.00 61.42 H new ATOM 0 HA GLN A 902 -9.576 -22.145 8.725 1.00 21.34 H new ATOM 0 HB2 GLN A 902 -8.826 -20.480 10.409 1.00 21.12 H new ATOM 0 HB3 GLN A 902 -8.948 -19.818 8.791 1.00 21.12 H new ATOM 0 HG2 GLN A 902 -10.857 -18.541 9.299 1.00 63.34 H new ATOM 0 HG3 GLN A 902 -11.361 -19.609 10.594 1.00 63.34 H new ATOM 0 HE21 GLN A 902 -8.076 -18.439 10.087 1.00 45.44 H new ATOM 0 HE22 GLN A 902 -7.967 -17.417 11.524 1.00 45.44 H new ATOM 1801 N THR A 903 -10.274 -23.177 10.862 1.00 2.24 N ATOM 1802 CA THR A 903 -10.781 -23.933 11.994 1.00 33.53 C ATOM 1803 C THR A 903 -9.628 -24.392 12.889 1.00 13.35 C ATOM 1804 O THR A 903 -8.508 -24.579 12.418 1.00 61.04 O ATOM 1805 CB THR A 903 -11.625 -25.089 11.451 1.00 43.51 C ATOM 1806 OG1 THR A 903 -12.734 -24.446 10.830 1.00 55.23 O ATOM 1807 CG2 THR A 903 -12.255 -25.927 12.564 1.00 35.42 C ATOM 0 H THR A 903 -9.374 -23.497 10.504 1.00 2.24 H new ATOM 0 HA THR A 903 -11.417 -23.316 12.628 1.00 33.53 H new ATOM 0 HB THR A 903 -11.004 -25.728 10.823 1.00 43.51 H new ATOM 0 HG1 THR A 903 -13.333 -25.122 10.449 1.00 55.23 H new ATOM 0 HG21 THR A 903 -12.843 -26.733 12.124 1.00 35.42 H new ATOM 0 HG22 THR A 903 -11.469 -26.350 13.190 1.00 35.42 H new ATOM 0 HG23 THR A 903 -12.903 -25.296 13.172 1.00 35.42 H new ATOM 1815 N LEU A 904 -9.943 -24.559 14.166 1.00 63.14 N ATOM 1816 CA LEU A 904 -8.947 -24.992 15.131 1.00 2.22 C ATOM 1817 C LEU A 904 -9.486 -26.193 15.910 1.00 71.42 C ATOM 1818 O LEU A 904 -10.435 -26.062 16.682 1.00 62.44 O ATOM 1819 CB LEU A 904 -8.521 -23.823 16.022 1.00 44.03 C ATOM 1820 CG LEU A 904 -9.463 -22.618 16.044 1.00 52.03 C ATOM 1821 CD1 LEU A 904 -10.706 -22.909 16.888 1.00 64.15 C ATOM 1822 CD2 LEU A 904 -8.733 -21.359 16.515 1.00 44.15 C ATOM 0 H LEU A 904 -10.873 -24.402 14.554 1.00 63.14 H new ATOM 0 HA LEU A 904 -8.042 -25.322 14.622 1.00 2.22 H new ATOM 0 HB2 LEU A 904 -8.410 -24.191 17.042 1.00 44.03 H new ATOM 0 HB3 LEU A 904 -7.537 -23.484 15.697 1.00 44.03 H new ATOM 0 HG LEU A 904 -9.802 -22.431 15.025 1.00 52.03 H new ATOM 0 HD11 LEU A 904 -11.359 -22.036 16.887 1.00 64.15 H new ATOM 0 HD12 LEU A 904 -11.239 -23.762 16.468 1.00 64.15 H new ATOM 0 HD13 LEU A 904 -10.406 -23.137 17.911 1.00 64.15 H new ATOM 0 HD21 LEU A 904 -9.426 -20.518 16.521 1.00 44.15 H new ATOM 0 HD22 LEU A 904 -8.346 -21.518 17.522 1.00 44.15 H new ATOM 0 HD23 LEU A 904 -7.906 -21.143 15.838 1.00 44.15 H new ATOM 1834 N TYR A 905 -8.858 -27.337 15.680 1.00 22.12 N ATOM 1835 CA TYR A 905 -9.263 -28.561 16.350 1.00 23.15 C ATOM 1836 C TYR A 905 -8.817 -28.558 17.814 1.00 13.23 C ATOM 1837 O TYR A 905 -8.282 -27.563 18.302 1.00 62.44 O ATOM 1838 CB TYR A 905 -8.551 -29.699 15.616 1.00 74.20 C ATOM 1839 CG TYR A 905 -8.911 -29.803 14.132 1.00 3.34 C ATOM 1840 CD1 TYR A 905 -10.228 -29.703 13.733 1.00 61.42 C ATOM 1841 CD2 TYR A 905 -7.917 -29.995 13.194 1.00 75.44 C ATOM 1842 CE1 TYR A 905 -10.566 -29.801 12.337 1.00 50.15 C ATOM 1843 CE2 TYR A 905 -8.256 -30.093 11.797 1.00 4.13 C ATOM 1844 CZ TYR A 905 -9.563 -29.991 11.438 1.00 52.14 C ATOM 1845 OH TYR A 905 -9.883 -30.083 10.119 1.00 44.11 O ATOM 0 H TYR A 905 -8.072 -27.442 15.039 1.00 22.12 H new ATOM 0 HA TYR A 905 -10.348 -28.666 16.334 1.00 23.15 H new ATOM 0 HB2 TYR A 905 -7.474 -29.560 15.709 1.00 74.20 H new ATOM 0 HB3 TYR A 905 -8.794 -30.642 16.105 1.00 74.20 H new ATOM 0 HD1 TYR A 905 -11.005 -29.551 14.468 1.00 61.42 H new ATOM 0 HD2 TYR A 905 -6.886 -30.072 13.507 1.00 75.44 H new ATOM 0 HE1 TYR A 905 -11.593 -29.725 12.011 1.00 50.15 H new ATOM 0 HE2 TYR A 905 -7.489 -30.244 11.052 1.00 4.13 H new ATOM 0 HH TYR A 905 -9.067 -30.217 9.593 1.00 44.11 H new ATOM 1855 N SER A 906 -9.055 -29.682 18.474 1.00 10.44 N ATOM 1856 CA SER A 906 -8.685 -29.821 19.873 1.00 50.23 C ATOM 1857 C SER A 906 -7.806 -31.059 20.060 1.00 3.35 C ATOM 1858 O SER A 906 -6.754 -30.987 20.694 1.00 64.03 O ATOM 1859 CB SER A 906 -9.925 -29.910 20.764 1.00 31.42 C ATOM 1860 OG SER A 906 -10.740 -31.032 20.434 1.00 21.13 O ATOM 0 H SER A 906 -9.499 -30.505 18.066 1.00 10.44 H new ATOM 0 HA SER A 906 -8.122 -28.936 20.168 1.00 50.23 H new ATOM 0 HB2 SER A 906 -9.617 -29.980 21.807 1.00 31.42 H new ATOM 0 HB3 SER A 906 -10.510 -28.995 20.664 1.00 31.42 H new ATOM 0 HG SER A 906 -11.521 -31.055 21.026 1.00 21.13 H new ATOM 1866 N LYS A 907 -8.269 -32.165 19.499 1.00 74.44 N ATOM 1867 CA LYS A 907 -7.538 -33.417 19.596 1.00 33.32 C ATOM 1868 C LYS A 907 -6.856 -33.710 18.258 1.00 33.23 C ATOM 1869 O LYS A 907 -7.224 -33.141 17.232 1.00 12.51 O ATOM 1870 CB LYS A 907 -8.460 -34.540 20.075 1.00 34.34 C ATOM 1871 CG LYS A 907 -7.668 -35.627 20.805 1.00 2.31 C ATOM 1872 CD LYS A 907 -6.940 -35.051 22.021 1.00 2.24 C ATOM 1873 CE LYS A 907 -7.823 -34.045 22.763 1.00 23.33 C ATOM 1874 NZ LYS A 907 -9.061 -34.698 23.243 1.00 32.31 N ATOM 0 H LYS A 907 -9.142 -32.221 18.975 1.00 74.44 H new ATOM 0 HA LYS A 907 -6.750 -33.341 20.346 1.00 33.32 H new ATOM 0 HB2 LYS A 907 -9.221 -34.132 20.740 1.00 34.34 H new ATOM 0 HB3 LYS A 907 -8.981 -34.976 19.223 1.00 34.34 H new ATOM 0 HG2 LYS A 907 -8.343 -36.422 21.123 1.00 2.31 H new ATOM 0 HG3 LYS A 907 -6.946 -36.076 20.123 1.00 2.31 H new ATOM 0 HD2 LYS A 907 -6.657 -35.859 22.696 1.00 2.24 H new ATOM 0 HD3 LYS A 907 -6.018 -34.565 21.701 1.00 2.24 H new ATOM 0 HE2 LYS A 907 -7.276 -33.625 23.607 1.00 23.33 H new ATOM 0 HE3 LYS A 907 -8.075 -33.216 22.102 1.00 23.33 H new ATOM 0 HZ1 LYS A 907 -9.881 -34.297 22.744 1.00 32.31 H new ATOM 0 HZ2 LYS A 907 -9.009 -35.720 23.057 1.00 32.31 H new ATOM 0 HZ3 LYS A 907 -9.165 -34.537 24.265 1.00 32.31 H new ATOM 1887 N TRP A 908 -5.875 -34.598 18.313 1.00 63.42 N ATOM 1888 CA TRP A 908 -5.138 -34.974 17.118 1.00 40.10 C ATOM 1889 C TRP A 908 -5.970 -36.006 16.354 1.00 31.13 C ATOM 1890 O TRP A 908 -5.833 -36.144 15.140 1.00 42.43 O ATOM 1891 CB TRP A 908 -3.738 -35.479 17.473 1.00 12.11 C ATOM 1892 CG TRP A 908 -2.983 -34.581 18.456 1.00 75.33 C ATOM 1893 CD1 TRP A 908 -2.099 -33.614 18.177 1.00 24.34 C ATOM 1894 CD2 TRP A 908 -3.084 -34.607 19.895 1.00 30.12 C ATOM 1895 NE1 TRP A 908 -1.623 -33.017 19.327 1.00 33.33 N ATOM 1896 CE2 TRP A 908 -2.242 -33.640 20.405 1.00 22.21 C ATOM 1897 CE3 TRP A 908 -3.861 -35.420 20.739 1.00 72.44 C ATOM 1898 CZ2 TRP A 908 -2.096 -33.396 21.776 1.00 62.01 C ATOM 1899 CZ3 TRP A 908 -3.704 -35.164 22.106 1.00 41.11 C ATOM 1900 CH2 TRP A 908 -2.860 -34.194 22.635 1.00 31.41 C ATOM 0 H TRP A 908 -5.573 -35.068 19.166 1.00 63.42 H new ATOM 0 HA TRP A 908 -4.980 -34.109 16.474 1.00 40.10 H new ATOM 0 HB2 TRP A 908 -3.821 -36.478 17.900 1.00 12.11 H new ATOM 0 HB3 TRP A 908 -3.153 -35.571 16.558 1.00 12.11 H new ATOM 0 HD1 TRP A 908 -1.797 -33.336 17.178 1.00 24.34 H new ATOM 0 HE1 TRP A 908 -0.943 -32.259 19.377 1.00 33.33 H new ATOM 0 HE3 TRP A 908 -4.527 -36.182 20.362 1.00 72.44 H new ATOM 0 HZ2 TRP A 908 -1.430 -32.633 22.150 1.00 62.01 H new ATOM 0 HZ3 TRP A 908 -4.279 -35.762 22.798 1.00 41.11 H new ATOM 0 HH2 TRP A 908 -2.794 -34.057 23.704 1.00 31.41 H new ATOM 1911 N LYS A 909 -6.815 -36.705 17.098 1.00 62.21 N ATOM 1912 CA LYS A 909 -7.669 -37.721 16.506 1.00 11.31 C ATOM 1913 C LYS A 909 -8.583 -37.070 15.466 1.00 43.42 C ATOM 1914 O LYS A 909 -9.180 -37.759 14.641 1.00 73.01 O ATOM 1915 CB LYS A 909 -8.424 -38.486 17.594 1.00 32.45 C ATOM 1916 CG LYS A 909 -9.753 -37.803 17.924 1.00 71.22 C ATOM 1917 CD LYS A 909 -10.472 -38.524 19.066 1.00 2.12 C ATOM 1918 CE LYS A 909 -11.094 -39.835 18.582 1.00 62.20 C ATOM 1919 NZ LYS A 909 -11.355 -40.738 19.725 1.00 24.31 N ATOM 0 H LYS A 909 -6.926 -36.588 18.105 1.00 62.21 H new ATOM 0 HA LYS A 909 -7.069 -38.465 15.983 1.00 11.31 H new ATOM 0 HB2 LYS A 909 -8.609 -39.508 17.263 1.00 32.45 H new ATOM 0 HB3 LYS A 909 -7.810 -38.548 18.493 1.00 32.45 H new ATOM 0 HG2 LYS A 909 -9.573 -36.764 18.201 1.00 71.22 H new ATOM 0 HG3 LYS A 909 -10.389 -37.791 17.039 1.00 71.22 H new ATOM 0 HD2 LYS A 909 -9.768 -38.728 19.873 1.00 2.12 H new ATOM 0 HD3 LYS A 909 -11.249 -37.879 19.476 1.00 2.12 H new ATOM 0 HE2 LYS A 909 -12.025 -39.629 18.053 1.00 62.20 H new ATOM 0 HE3 LYS A 909 -10.425 -40.321 17.872 1.00 62.20 H new ATOM 0 HZ1 LYS A 909 -11.777 -41.623 19.379 1.00 24.31 H new ATOM 0 HZ2 LYS A 909 -10.461 -40.948 20.212 1.00 24.31 H new ATOM 0 HZ3 LYS A 909 -12.011 -40.278 20.388 1.00 24.31 H new ATOM 1932 N ASP A 910 -8.662 -35.749 15.539 1.00 72.12 N ATOM 1933 CA ASP A 910 -9.493 -34.997 14.614 1.00 61.14 C ATOM 1934 C ASP A 910 -8.646 -34.554 13.419 1.00 3.32 C ATOM 1935 O ASP A 910 -8.908 -33.512 12.820 1.00 72.10 O ATOM 1936 CB ASP A 910 -10.064 -33.744 15.280 1.00 45.42 C ATOM 1937 CG ASP A 910 -11.395 -33.255 14.706 1.00 60.44 C ATOM 1938 OD1 ASP A 910 -11.600 -32.049 14.506 1.00 14.11 O ATOM 1939 OD2 ASP A 910 -12.255 -34.184 14.457 1.00 62.32 O ATOM 0 H ASP A 910 -8.164 -35.181 16.224 1.00 72.12 H new ATOM 0 HA ASP A 910 -10.313 -35.641 14.297 1.00 61.14 H new ATOM 0 HB2 ASP A 910 -10.196 -33.944 16.343 1.00 45.42 H new ATOM 0 HB3 ASP A 910 -9.332 -32.941 15.195 1.00 45.42 H new ATOM 1945 N PHE A 911 -7.647 -35.367 13.109 1.00 43.32 N ATOM 1946 CA PHE A 911 -6.759 -35.071 11.997 1.00 73.33 C ATOM 1947 C PHE A 911 -7.505 -35.152 10.663 1.00 35.44 C ATOM 1948 O PHE A 911 -8.498 -35.869 10.546 1.00 60.50 O ATOM 1949 CB PHE A 911 -5.654 -36.128 12.014 1.00 65.51 C ATOM 1950 CG PHE A 911 -6.157 -37.559 11.812 1.00 72.14 C ATOM 1951 CD1 PHE A 911 -6.569 -37.967 10.581 1.00 31.44 C ATOM 1952 CD2 PHE A 911 -6.193 -38.422 12.862 1.00 60.31 C ATOM 1953 CE1 PHE A 911 -7.037 -39.295 10.394 1.00 44.02 C ATOM 1954 CE2 PHE A 911 -6.660 -39.750 12.674 1.00 15.12 C ATOM 1955 CZ PHE A 911 -7.072 -40.158 11.444 1.00 34.20 C ATOM 0 H PHE A 911 -7.433 -36.230 13.608 1.00 43.32 H new ATOM 0 HA PHE A 911 -6.359 -34.062 12.099 1.00 73.33 H new ATOM 0 HB2 PHE A 911 -4.930 -35.895 11.233 1.00 65.51 H new ATOM 0 HB3 PHE A 911 -5.125 -36.071 12.966 1.00 65.51 H new ATOM 0 HD1 PHE A 911 -6.540 -37.282 9.747 1.00 31.44 H new ATOM 0 HD2 PHE A 911 -5.866 -38.098 13.839 1.00 60.31 H new ATOM 0 HE1 PHE A 911 -7.365 -39.619 9.417 1.00 44.02 H new ATOM 0 HE2 PHE A 911 -6.688 -40.436 13.508 1.00 15.12 H new ATOM 0 HZ PHE A 911 -7.427 -41.168 11.301 1.00 34.20 H new ATOM 1965 N HIS A 912 -6.999 -34.407 9.692 1.00 20.21 N ATOM 1966 CA HIS A 912 -7.605 -34.386 8.372 1.00 50.34 C ATOM 1967 C HIS A 912 -6.540 -34.681 7.313 1.00 32.14 C ATOM 1968 O HIS A 912 -6.785 -34.519 6.119 1.00 72.21 O ATOM 1969 CB HIS A 912 -8.331 -33.061 8.129 1.00 71.13 C ATOM 1970 CG HIS A 912 -9.395 -33.131 7.059 1.00 31.23 C ATOM 1971 ND1 HIS A 912 -9.119 -33.481 5.749 1.00 52.00 N ATOM 1972 CD2 HIS A 912 -10.737 -32.894 7.120 1.00 21.02 C ATOM 1973 CE1 HIS A 912 -10.251 -33.451 5.061 1.00 30.30 C ATOM 1974 NE2 HIS A 912 -11.252 -33.087 5.912 1.00 14.24 N ATOM 0 H HIS A 912 -6.176 -33.813 9.793 1.00 20.21 H new ATOM 0 HA HIS A 912 -8.362 -35.167 8.303 1.00 50.34 H new ATOM 0 HB2 HIS A 912 -8.789 -32.733 9.062 1.00 71.13 H new ATOM 0 HB3 HIS A 912 -7.599 -32.303 7.850 1.00 71.13 H new ATOM 0 HD1 HIS A 912 -8.200 -33.721 5.376 1.00 52.00 H new ATOM 0 HD2 HIS A 912 -11.287 -32.599 8.002 1.00 21.02 H new ATOM 0 HE1 HIS A 912 -10.361 -33.676 4.010 1.00 30.30 H new ATOM 1982 N PHE A 913 -5.381 -35.109 7.790 1.00 23.14 N ATOM 1983 CA PHE A 913 -4.277 -35.429 6.900 1.00 14.43 C ATOM 1984 C PHE A 913 -3.946 -36.921 6.952 1.00 70.42 C ATOM 1985 O PHE A 913 -4.674 -37.702 7.563 1.00 1.24 O ATOM 1986 CB PHE A 913 -3.065 -34.632 7.387 1.00 71.10 C ATOM 1987 CG PHE A 913 -3.373 -33.170 7.717 1.00 21.24 C ATOM 1988 CD1 PHE A 913 -4.411 -32.539 7.106 1.00 44.33 C ATOM 1989 CD2 PHE A 913 -2.609 -32.502 8.623 1.00 61.32 C ATOM 1990 CE1 PHE A 913 -4.696 -31.182 7.412 1.00 13.04 C ATOM 1991 CE2 PHE A 913 -2.895 -31.146 8.929 1.00 4.44 C ATOM 1992 CZ PHE A 913 -3.932 -30.514 8.318 1.00 72.12 C ATOM 0 H PHE A 913 -5.182 -35.242 8.781 1.00 23.14 H new ATOM 0 HA PHE A 913 -4.542 -35.179 5.873 1.00 14.43 H new ATOM 0 HB2 PHE A 913 -2.658 -35.116 8.275 1.00 71.10 H new ATOM 0 HB3 PHE A 913 -2.290 -34.665 6.622 1.00 71.10 H new ATOM 0 HD1 PHE A 913 -5.019 -33.070 6.388 1.00 44.33 H new ATOM 0 HD2 PHE A 913 -1.785 -33.003 9.109 1.00 61.32 H new ATOM 0 HE1 PHE A 913 -5.519 -30.680 6.925 1.00 13.04 H new ATOM 0 HE2 PHE A 913 -2.288 -30.616 9.648 1.00 4.44 H new ATOM 0 HZ PHE A 913 -4.149 -29.482 8.552 1.00 72.12 H new ATOM 2002 N GLU A 914 -2.847 -37.274 6.301 1.00 2.34 N ATOM 2003 CA GLU A 914 -2.410 -38.659 6.265 1.00 31.13 C ATOM 2004 C GLU A 914 -0.935 -38.761 6.658 1.00 43.05 C ATOM 2005 O GLU A 914 -0.225 -37.757 6.685 1.00 52.44 O ATOM 2006 CB GLU A 914 -2.655 -39.275 4.886 1.00 24.34 C ATOM 2007 CG GLU A 914 -1.559 -38.864 3.900 1.00 35.42 C ATOM 2008 CD GLU A 914 -1.982 -39.156 2.459 1.00 52.22 C ATOM 2009 OE1 GLU A 914 -1.582 -40.183 1.891 1.00 34.22 O ATOM 2010 OE2 GLU A 914 -2.756 -38.270 1.928 1.00 65.22 O ATOM 0 H GLU A 914 -2.246 -36.624 5.794 1.00 2.34 H new ATOM 0 HA GLU A 914 -2.998 -39.224 6.988 1.00 31.13 H new ATOM 0 HB2 GLU A 914 -2.686 -40.361 4.969 1.00 24.34 H new ATOM 0 HB3 GLU A 914 -3.627 -38.957 4.509 1.00 24.34 H new ATOM 0 HG2 GLU A 914 -1.344 -37.801 4.012 1.00 35.42 H new ATOM 0 HG3 GLU A 914 -0.639 -39.401 4.129 1.00 35.42 H new ATOM 2018 N LYS A 915 -0.517 -39.983 6.952 1.00 64.33 N ATOM 2019 CA LYS A 915 0.861 -40.229 7.341 1.00 24.43 C ATOM 2020 C LYS A 915 1.768 -40.076 6.118 1.00 12.42 C ATOM 2021 O LYS A 915 1.522 -40.685 5.078 1.00 11.04 O ATOM 2022 CB LYS A 915 0.988 -41.588 8.034 1.00 41.24 C ATOM 2023 CG LYS A 915 0.488 -42.714 7.127 1.00 74.10 C ATOM 2024 CD LYS A 915 1.228 -44.021 7.417 1.00 33.41 C ATOM 2025 CE LYS A 915 2.465 -44.160 6.528 1.00 51.02 C ATOM 2026 NZ LYS A 915 2.084 -44.644 5.182 1.00 42.21 N ATOM 0 H LYS A 915 -1.108 -40.814 6.929 1.00 64.33 H new ATOM 0 HA LYS A 915 1.187 -39.491 8.074 1.00 24.43 H new ATOM 0 HB2 LYS A 915 2.029 -41.768 8.303 1.00 41.24 H new ATOM 0 HB3 LYS A 915 0.416 -41.582 8.962 1.00 41.24 H new ATOM 0 HG2 LYS A 915 -0.582 -42.857 7.275 1.00 74.10 H new ATOM 0 HG3 LYS A 915 0.630 -42.435 6.083 1.00 74.10 H new ATOM 0 HD2 LYS A 915 1.524 -44.050 8.466 1.00 33.41 H new ATOM 0 HD3 LYS A 915 0.560 -44.866 7.251 1.00 33.41 H new ATOM 0 HE2 LYS A 915 2.971 -43.198 6.445 1.00 51.02 H new ATOM 0 HE3 LYS A 915 3.172 -44.853 6.984 1.00 51.02 H new ATOM 0 HZ1 LYS A 915 2.935 -44.733 4.591 1.00 42.21 H new ATOM 0 HZ2 LYS A 915 1.622 -45.572 5.265 1.00 42.21 H new ATOM 0 HZ3 LYS A 915 1.427 -43.968 4.743 1.00 42.21 H new ATOM 2039 N ILE A 916 2.797 -39.258 6.283 1.00 0.23 N ATOM 2040 CA ILE A 916 3.741 -39.016 5.206 1.00 63.23 C ATOM 2041 C ILE A 916 5.167 -39.085 5.757 1.00 33.44 C ATOM 2042 O ILE A 916 5.426 -38.640 6.874 1.00 22.43 O ATOM 2043 CB ILE A 916 3.420 -37.699 4.497 1.00 74.14 C ATOM 2044 CG1 ILE A 916 2.033 -37.748 3.851 1.00 63.50 C ATOM 2045 CG2 ILE A 916 4.510 -37.340 3.486 1.00 64.14 C ATOM 2046 CD1 ILE A 916 1.394 -36.359 3.817 1.00 3.35 C ATOM 0 H ILE A 916 2.998 -38.754 7.147 1.00 0.23 H new ATOM 0 HA ILE A 916 3.655 -39.791 4.444 1.00 63.23 H new ATOM 0 HB ILE A 916 3.400 -36.905 5.244 1.00 74.14 H new ATOM 0 HG12 ILE A 916 2.114 -38.140 2.837 1.00 63.50 H new ATOM 0 HG13 ILE A 916 1.393 -38.433 4.407 1.00 63.50 H new ATOM 0 HG21 ILE A 916 4.257 -36.400 2.996 1.00 64.14 H new ATOM 0 HG22 ILE A 916 5.464 -37.235 4.002 1.00 64.14 H new ATOM 0 HG23 ILE A 916 4.587 -38.129 2.738 1.00 64.14 H new ATOM 0 HD11 ILE A 916 0.410 -36.423 3.353 1.00 3.35 H new ATOM 0 HD12 ILE A 916 1.292 -35.980 4.834 1.00 3.35 H new ATOM 0 HD13 ILE A 916 2.024 -35.683 3.240 1.00 3.35 H new ATOM 2058 N PRO A 917 6.077 -39.662 4.927 1.00 11.24 N ATOM 2059 CA PRO A 917 7.469 -39.795 5.321 1.00 63.04 C ATOM 2060 C PRO A 917 8.194 -38.450 5.237 1.00 13.13 C ATOM 2061 O PRO A 917 8.099 -37.751 4.230 1.00 53.03 O ATOM 2062 CB PRO A 917 8.046 -40.839 4.379 1.00 72.53 C ATOM 2063 CG PRO A 917 7.088 -40.912 3.200 1.00 23.04 C ATOM 2064 CD PRO A 917 5.806 -40.200 3.598 1.00 54.04 C ATOM 0 HA PRO A 917 7.584 -40.106 6.359 1.00 63.04 H new ATOM 0 HB2 PRO A 917 9.047 -40.559 4.052 1.00 72.53 H new ATOM 0 HB3 PRO A 917 8.131 -41.807 4.873 1.00 72.53 H new ATOM 0 HG2 PRO A 917 7.528 -40.442 2.320 1.00 23.04 H new ATOM 0 HG3 PRO A 917 6.883 -41.950 2.938 1.00 23.04 H new ATOM 0 HD2 PRO A 917 5.559 -39.407 2.893 1.00 54.04 H new ATOM 0 HD3 PRO A 917 4.960 -40.887 3.614 1.00 54.04 H new ATOM 2072 N PHE A 918 8.901 -38.128 6.310 1.00 5.10 N ATOM 2073 CA PHE A 918 9.642 -36.879 6.371 1.00 72.10 C ATOM 2074 C PHE A 918 10.864 -36.921 5.452 1.00 43.12 C ATOM 2075 O PHE A 918 11.868 -37.554 5.776 1.00 10.42 O ATOM 2076 CB PHE A 918 10.111 -36.708 7.817 1.00 45.31 C ATOM 2077 CG PHE A 918 10.333 -35.251 8.231 1.00 74.41 C ATOM 2078 CD1 PHE A 918 11.434 -34.581 7.799 1.00 64.42 C ATOM 2079 CD2 PHE A 918 9.427 -34.627 9.031 1.00 42.11 C ATOM 2080 CE1 PHE A 918 11.640 -33.230 8.183 1.00 55.21 C ATOM 2081 CE2 PHE A 918 9.632 -33.275 9.415 1.00 23.40 C ATOM 2082 CZ PHE A 918 10.734 -32.605 8.983 1.00 61.31 C ATOM 0 H PHE A 918 8.977 -38.710 7.144 1.00 5.10 H new ATOM 0 HA PHE A 918 9.007 -36.053 6.049 1.00 72.10 H new ATOM 0 HB2 PHE A 918 9.373 -37.156 8.483 1.00 45.31 H new ATOM 0 HB3 PHE A 918 11.041 -37.260 7.954 1.00 45.31 H new ATOM 0 HD1 PHE A 918 12.153 -35.077 7.163 1.00 64.42 H new ATOM 0 HD2 PHE A 918 8.552 -35.159 9.374 1.00 42.11 H new ATOM 0 HE1 PHE A 918 12.515 -32.698 7.840 1.00 55.21 H new ATOM 0 HE2 PHE A 918 8.913 -32.779 10.050 1.00 23.40 H new ATOM 0 HZ PHE A 918 10.890 -31.577 9.275 1.00 61.31 H new ATOM 2092 N ASP A 919 10.740 -36.239 4.323 1.00 55.31 N ATOM 2093 CA ASP A 919 11.822 -36.190 3.354 1.00 13.04 C ATOM 2094 C ASP A 919 12.923 -35.263 3.873 1.00 51.22 C ATOM 2095 O ASP A 919 12.663 -34.105 4.195 1.00 4.42 O ATOM 2096 CB ASP A 919 11.335 -35.641 2.012 1.00 70.32 C ATOM 2097 CG ASP A 919 10.832 -36.697 1.026 1.00 72.53 C ATOM 2098 OD1 ASP A 919 11.580 -37.167 0.156 1.00 25.41 O ATOM 2099 OD2 ASP A 919 9.598 -37.042 1.178 1.00 10.31 O ATOM 0 H ASP A 919 9.906 -35.715 4.057 1.00 55.31 H new ATOM 0 HA ASP A 919 12.196 -37.204 3.214 1.00 13.04 H new ATOM 0 HB2 ASP A 919 10.532 -34.928 2.198 1.00 70.32 H new ATOM 0 HB3 ASP A 919 12.150 -35.089 1.545 1.00 70.32 H new ATOM 2105 N PRO A 920 14.161 -35.822 3.939 1.00 50.34 N ATOM 2106 CA PRO A 920 15.303 -35.058 4.412 1.00 14.14 C ATOM 2107 C PRO A 920 15.772 -34.059 3.353 1.00 70.03 C ATOM 2108 O PRO A 920 16.492 -33.112 3.663 1.00 4.33 O ATOM 2109 CB PRO A 920 16.356 -36.098 4.756 1.00 4.14 C ATOM 2110 CG PRO A 920 15.942 -37.367 4.030 1.00 32.33 C ATOM 2111 CD PRO A 920 14.506 -37.190 3.565 1.00 34.42 C ATOM 0 HA PRO A 920 15.068 -34.445 5.282 1.00 14.14 H new ATOM 0 HB2 PRO A 920 17.346 -35.771 4.438 1.00 4.14 H new ATOM 0 HB3 PRO A 920 16.405 -36.262 5.832 1.00 4.14 H new ATOM 0 HG2 PRO A 920 16.599 -37.552 3.180 1.00 32.33 H new ATOM 0 HG3 PRO A 920 16.026 -38.230 4.691 1.00 32.33 H new ATOM 0 HD2 PRO A 920 14.417 -37.341 2.489 1.00 34.42 H new ATOM 0 HD3 PRO A 920 13.843 -37.911 4.044 1.00 34.42 H new ATOM 2119 N ALA A 921 15.344 -34.305 2.123 1.00 3.10 N ATOM 2120 CA ALA A 921 15.712 -33.439 1.016 1.00 54.23 C ATOM 2121 C ALA A 921 15.094 -32.055 1.229 1.00 32.43 C ATOM 2122 O ALA A 921 15.639 -31.051 0.774 1.00 22.23 O ATOM 2123 CB ALA A 921 15.268 -34.078 -0.302 1.00 21.24 C ATOM 0 H ALA A 921 14.746 -35.091 1.869 1.00 3.10 H new ATOM 0 HA ALA A 921 16.794 -33.314 0.970 1.00 54.23 H new ATOM 0 HB1 ALA A 921 15.544 -33.428 -1.133 1.00 21.24 H new ATOM 0 HB2 ALA A 921 15.756 -35.045 -0.420 1.00 21.24 H new ATOM 0 HB3 ALA A 921 14.187 -34.216 -0.293 1.00 21.24 H new ATOM 2129 N GLU A 922 13.964 -32.047 1.922 1.00 64.42 N ATOM 2130 CA GLU A 922 13.267 -30.804 2.201 1.00 14.13 C ATOM 2131 C GLU A 922 13.980 -30.034 3.315 1.00 53.24 C ATOM 2132 O GLU A 922 13.975 -28.804 3.324 1.00 4.24 O ATOM 2133 CB GLU A 922 11.804 -31.066 2.566 1.00 40.21 C ATOM 2134 CG GLU A 922 11.279 -32.317 1.860 1.00 75.32 C ATOM 2135 CD GLU A 922 9.770 -32.222 1.626 1.00 55.03 C ATOM 2136 OE1 GLU A 922 9.060 -33.233 1.733 1.00 23.45 O ATOM 2137 OE2 GLU A 922 9.338 -31.045 1.323 1.00 41.41 O ATOM 0 H GLU A 922 13.515 -32.882 2.298 1.00 64.42 H new ATOM 0 HA GLU A 922 13.279 -30.193 1.298 1.00 14.13 H new ATOM 0 HB2 GLU A 922 11.711 -31.187 3.645 1.00 40.21 H new ATOM 0 HB3 GLU A 922 11.196 -30.205 2.288 1.00 40.21 H new ATOM 0 HG2 GLU A 922 11.791 -32.443 0.906 1.00 75.32 H new ATOM 0 HG3 GLU A 922 11.503 -33.199 2.461 1.00 75.32 H new ATOM 2145 N MET A 923 14.575 -30.789 4.226 1.00 61.45 N ATOM 2146 CA MET A 923 15.291 -30.193 5.341 1.00 70.33 C ATOM 2147 C MET A 923 16.443 -29.315 4.847 1.00 73.54 C ATOM 2148 O MET A 923 16.497 -28.126 5.154 1.00 4.23 O ATOM 2149 CB MET A 923 15.842 -31.299 6.243 1.00 3.22 C ATOM 2150 CG MET A 923 14.721 -31.961 7.046 1.00 72.40 C ATOM 2151 SD MET A 923 14.485 -31.100 8.591 1.00 1.23 S ATOM 2152 CE MET A 923 14.651 -32.461 9.734 1.00 70.22 C ATOM 0 H MET A 923 14.576 -31.809 4.215 1.00 61.45 H new ATOM 0 HA MET A 923 14.597 -29.567 5.901 1.00 70.33 H new ATOM 0 HB2 MET A 923 16.351 -32.048 5.636 1.00 3.22 H new ATOM 0 HB3 MET A 923 16.584 -30.882 6.924 1.00 3.22 H new ATOM 0 HG2 MET A 923 13.796 -31.951 6.470 1.00 72.40 H new ATOM 0 HG3 MET A 923 14.967 -33.006 7.236 1.00 72.40 H new ATOM 0 HE1 MET A 923 15.276 -32.157 10.574 1.00 70.22 H new ATOM 0 HE2 MET A 923 13.666 -32.750 10.101 1.00 70.22 H new ATOM 0 HE3 MET A 923 15.113 -33.308 9.227 1.00 70.22 H new ATOM 2162 N SER A 924 17.335 -29.936 4.089 1.00 74.43 N ATOM 2163 CA SER A 924 18.482 -29.227 3.549 1.00 11.41 C ATOM 2164 C SER A 924 18.057 -28.384 2.345 1.00 52.12 C ATOM 2165 O SER A 924 16.891 -28.399 1.953 1.00 41.24 O ATOM 2166 CB SER A 924 19.594 -30.199 3.151 1.00 74.15 C ATOM 2167 OG SER A 924 19.074 -31.414 2.617 1.00 61.11 O ATOM 0 H SER A 924 17.286 -30.923 3.836 1.00 74.43 H new ATOM 0 HA SER A 924 18.873 -28.569 4.325 1.00 11.41 H new ATOM 0 HB2 SER A 924 20.242 -29.726 2.413 1.00 74.15 H new ATOM 0 HB3 SER A 924 20.211 -30.420 4.022 1.00 74.15 H new ATOM 0 HG SER A 924 19.815 -32.008 2.373 1.00 61.11 H new ATOM 2173 N LYS A 925 19.026 -27.669 1.792 1.00 74.23 N ATOM 2174 CA LYS A 925 18.767 -26.822 0.640 1.00 15.10 C ATOM 2175 C LYS A 925 17.925 -27.595 -0.377 1.00 54.22 C ATOM 2176 O LYS A 925 16.834 -27.160 -0.744 1.00 41.10 O ATOM 2177 CB LYS A 925 20.078 -26.280 0.068 1.00 51.22 C ATOM 2178 CG LYS A 925 19.813 -25.185 -0.967 1.00 41.35 C ATOM 2179 CD LYS A 925 19.681 -23.816 -0.296 1.00 71.14 C ATOM 2180 CE LYS A 925 21.045 -23.295 0.159 1.00 4.20 C ATOM 2181 NZ LYS A 925 20.887 -22.067 0.971 1.00 74.42 N ATOM 0 H LYS A 925 19.992 -27.659 2.120 1.00 74.23 H new ATOM 0 HA LYS A 925 18.188 -25.946 0.933 1.00 15.10 H new ATOM 0 HB2 LYS A 925 20.694 -25.882 0.874 1.00 51.22 H new ATOM 0 HB3 LYS A 925 20.641 -27.092 -0.392 1.00 51.22 H new ATOM 0 HG2 LYS A 925 20.626 -25.161 -1.693 1.00 41.35 H new ATOM 0 HG3 LYS A 925 18.901 -25.413 -1.518 1.00 41.35 H new ATOM 0 HD2 LYS A 925 19.231 -23.108 -0.992 1.00 71.14 H new ATOM 0 HD3 LYS A 925 19.012 -23.890 0.561 1.00 71.14 H new ATOM 0 HE2 LYS A 925 21.557 -24.060 0.742 1.00 4.20 H new ATOM 0 HE3 LYS A 925 21.669 -23.086 -0.710 1.00 4.20 H new ATOM 0 HZ1 LYS A 925 21.823 -21.727 1.272 1.00 74.42 H new ATOM 0 HZ2 LYS A 925 20.418 -21.333 0.403 1.00 74.42 H new ATOM 0 HZ3 LYS A 925 20.309 -22.277 1.810 1.00 74.42 H new TER 2194 LYS A 925