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 858 LYS NZ :NH3+ 170:sc= -3.02 (180deg=-1.22) USER MOD Set 1.2: A 861 LYS NZ :NH3+ -165:sc= -3.22! (180deg=-1.03!) USER MOD Set 2.1: A 810 CYS SG : rot -146:sc= 0.911 USER MOD Set 2.2: A 812 LYS NZ :NH3+ 159:sc= 1.99 (180deg=1.14) USER MOD Set 2.3: A 864 CYS SG : rot 16:sc= -2.89 USER MOD Set 2.4: A 871 HIS : no HD1:sc= -10.1! C(o=-10!,f=-22!) USER MOD Set 3.1: A 803 LYS NZ :NH3+ -116:sc= -0.572 (180deg=-1.06!) USER MOD Set 3.2: A 806 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0912) USER MOD Set 3.3: A 912 HIS : no HE2:sc= -3.09! C(o=-3.7!,f=-19!) USER MOD Single : A 793 SER OG : rot 180:sc= 0 USER MOD Single : A 794 GLN : amide:sc= -2.68 K(o=-2.7,f=-4.5!) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 798 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00513) USER MOD Single : A 805 ASN : amide:sc= -8.29! C(o=-8.3!,f=-4.3!) USER MOD Single : A 807 LYS NZ :NH3+ -152:sc= 1.2 (180deg=-0.162) USER MOD Single : A 813 CYS SG : rot -49:sc= -0.0616 USER MOD Single : A 814 LYS NZ :NH3+ -164:sc=-0.00933 (180deg=-0.249) USER MOD Single : A 818 CYS SG : rot -169:sc= -1.14 USER MOD Single : A 819 TYR OH : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot -73:sc= 0.122! USER MOD Single : A 829 CYS SG : rot 60:sc= 0.134 USER MOD Single : A 830 HIS : no HD1:sc= -4.28! C(o=-4.3!,f=-7.9!) USER MOD Single : A 831 TYR OH : rot 150:sc= -0.745 USER MOD Single : A 832 THR OG1 : rot -98:sc= 0.221 USER MOD Single : A 839 LYS NZ :NH3+ -139:sc= -0.658! (180deg=-1.34!) USER MOD Single : A 841 CYS SG : rot 180:sc= 0 USER MOD Single : A 844 SER OG : rot 180:sc= 0 USER MOD Single : A 847 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-2.7!) USER MOD Single : A 849 LYS NZ :NH3+ -153:sc= -0.302 (180deg=-1.41!) USER MOD Single : A 851 LYS NZ :NH3+ -147:sc=-0.00574 (180deg=-0.287) USER MOD Single : A 852 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 854 SER OG : rot 12:sc= 1.08 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 867 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1.5) USER MOD Single : A 868 ASN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 869 CYS SG : rot 38:sc= 0.129 USER MOD Single : A 870 SER OG : rot -53:sc= 0.058 USER MOD Single : A 876 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 878 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.211) USER MOD Single : A 879 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 LYS NZ :NH3+ 166:sc= -0.278 (180deg=-0.966) USER MOD Single : A 881 THR OG1 : rot 95:sc= -0.326! USER MOD Single : A 888 LYS NZ :NH3+ 174:sc= -0.0757 (180deg=-0.121) USER MOD Single : A 891 SER OG : rot 130:sc= 0 USER MOD Single : A 899 THR OG1 : rot -164:sc= -8.38! USER MOD Single : A 902 GLN : amide:sc= -3.47! K(o=-3.5!,f=-0.035) USER MOD Single : A 903 THR OG1 : rot 92:sc= -1.54! USER MOD Single : A 905 TYR OH : rot 180:sc= 0 USER MOD Single : A 906 SER OG : rot 180:sc= 0 USER MOD Single : A 907 LYS NZ :NH3+ -111:sc= -0.696 (180deg=-1.24) USER MOD Single : A 909 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 MET CE :methyl -163:sc= -5.21! (180deg=-6!) USER MOD Single : A 924 SER OG : rot 180:sc= 0 USER MOD Single : A 925 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 -21.689 -4.787 6.095 1.00 55.10 N ATOM 2 CA ASP A 792 -20.836 -5.930 5.820 1.00 44.13 C ATOM 3 C ASP A 792 -21.682 -7.067 5.244 1.00 14.21 C ATOM 4 O ASP A 792 -22.808 -7.292 5.686 1.00 51.04 O ATOM 5 CB ASP A 792 -20.167 -6.439 7.098 1.00 13.24 C ATOM 6 CG ASP A 792 -19.531 -5.355 7.971 1.00 14.01 C ATOM 7 OD1 ASP A 792 -20.222 -4.466 8.490 1.00 15.21 O ATOM 8 OD2 ASP A 792 -18.253 -5.449 8.112 1.00 65.11 O ATOM 0 HA ASP A 792 -20.069 -5.615 5.113 1.00 44.13 H new ATOM 0 HB2 ASP A 792 -20.910 -6.973 7.691 1.00 13.24 H new ATOM 0 HB3 ASP A 792 -19.398 -7.162 6.825 1.00 13.24 H new ATOM 14 N SER A 793 -21.108 -7.753 4.267 1.00 33.21 N ATOM 15 CA SER A 793 -21.796 -8.861 3.626 1.00 33.24 C ATOM 16 C SER A 793 -21.324 -10.187 4.226 1.00 63.44 C ATOM 17 O SER A 793 -20.163 -10.320 4.611 1.00 71.02 O ATOM 18 CB SER A 793 -21.568 -8.851 2.114 1.00 43.23 C ATOM 19 OG SER A 793 -20.401 -9.582 1.745 1.00 13.30 O ATOM 0 H SER A 793 -20.174 -7.563 3.903 1.00 33.21 H new ATOM 0 HA SER A 793 -22.865 -8.749 3.805 1.00 33.24 H new ATOM 0 HB2 SER A 793 -22.437 -9.278 1.614 1.00 43.23 H new ATOM 0 HB3 SER A 793 -21.475 -7.821 1.768 1.00 43.23 H new ATOM 0 HG SER A 793 -20.291 -9.553 0.772 1.00 13.30 H new ATOM 25 N GLN A 794 -22.247 -11.135 4.285 1.00 32.53 N ATOM 26 CA GLN A 794 -21.940 -12.447 4.831 1.00 44.40 C ATOM 27 C GLN A 794 -22.043 -13.513 3.739 1.00 21.52 C ATOM 28 O GLN A 794 -22.028 -14.708 4.031 1.00 61.43 O ATOM 29 CB GLN A 794 -22.856 -12.778 6.010 1.00 20.43 C ATOM 30 CG GLN A 794 -22.367 -12.101 7.292 1.00 14.40 C ATOM 31 CD GLN A 794 -22.192 -10.595 7.084 1.00 70.14 C ATOM 32 OE1 GLN A 794 -21.090 -10.077 7.009 1.00 10.33 O ATOM 33 NE2 GLN A 794 -23.337 -9.924 6.994 1.00 70.45 N ATOM 0 H GLN A 794 -23.208 -11.021 3.964 1.00 32.53 H new ATOM 0 HA GLN A 794 -20.915 -12.434 5.203 1.00 44.40 H new ATOM 0 HB2 GLN A 794 -23.872 -12.453 5.788 1.00 20.43 H new ATOM 0 HB3 GLN A 794 -22.891 -13.858 6.156 1.00 20.43 H new ATOM 0 HG2 GLN A 794 -23.080 -12.280 8.097 1.00 14.40 H new ATOM 0 HG3 GLN A 794 -21.419 -12.542 7.602 1.00 14.40 H new ATOM 0 HE21 GLN A 794 -24.226 -10.420 7.065 1.00 70.45 H new ATOM 0 HE22 GLN A 794 -23.326 -8.914 6.854 1.00 70.45 H new ATOM 42 N GLU A 795 -22.146 -13.043 2.505 1.00 65.42 N ATOM 43 CA GLU A 795 -22.251 -13.942 1.368 1.00 33.20 C ATOM 44 C GLU A 795 -21.095 -14.944 1.374 1.00 32.44 C ATOM 45 O GLU A 795 -19.944 -14.568 1.587 1.00 43.21 O ATOM 46 CB GLU A 795 -22.292 -13.161 0.053 1.00 13.02 C ATOM 47 CG GLU A 795 -22.388 -14.108 -1.145 1.00 22.14 C ATOM 48 CD GLU A 795 -23.132 -13.448 -2.307 1.00 62.14 C ATOM 49 OE1 GLU A 795 -22.632 -13.448 -3.442 1.00 54.34 O ATOM 50 OE2 GLU A 795 -24.269 -12.923 -1.999 1.00 71.22 O ATOM 0 H GLU A 795 -22.159 -12.051 2.267 1.00 65.42 H new ATOM 0 HA GLU A 795 -23.186 -14.495 1.453 1.00 33.20 H new ATOM 0 HB2 GLU A 795 -23.146 -12.484 0.055 1.00 13.02 H new ATOM 0 HB3 GLU A 795 -21.397 -12.545 -0.036 1.00 13.02 H new ATOM 0 HG2 GLU A 795 -21.387 -14.396 -1.466 1.00 22.14 H new ATOM 0 HG3 GLU A 795 -22.904 -15.022 -0.850 1.00 22.14 H new ATOM 58 N LYS A 796 -21.442 -16.201 1.139 1.00 74.20 N ATOM 59 CA LYS A 796 -20.448 -17.260 1.115 1.00 61.31 C ATOM 60 C LYS A 796 -19.404 -16.949 0.041 1.00 61.55 C ATOM 61 O LYS A 796 -19.668 -16.180 -0.882 1.00 63.43 O ATOM 62 CB LYS A 796 -21.121 -18.623 0.942 1.00 20.52 C ATOM 63 CG LYS A 796 -21.880 -19.025 2.209 1.00 51.53 C ATOM 64 CD LYS A 796 -20.966 -18.975 3.435 1.00 61.34 C ATOM 65 CE LYS A 796 -21.130 -17.654 4.188 1.00 11.03 C ATOM 66 NZ LYS A 796 -22.193 -17.770 5.211 1.00 14.43 N ATOM 0 H LYS A 796 -22.398 -16.510 0.963 1.00 74.20 H new ATOM 0 HA LYS A 796 -19.921 -17.309 2.068 1.00 61.31 H new ATOM 0 HB2 LYS A 796 -21.809 -18.588 0.097 1.00 20.52 H new ATOM 0 HB3 LYS A 796 -20.369 -19.377 0.710 1.00 20.52 H new ATOM 0 HG2 LYS A 796 -22.729 -18.357 2.356 1.00 51.53 H new ATOM 0 HG3 LYS A 796 -22.283 -20.031 2.092 1.00 51.53 H new ATOM 0 HD2 LYS A 796 -21.197 -19.808 4.100 1.00 61.34 H new ATOM 0 HD3 LYS A 796 -19.928 -19.094 3.124 1.00 61.34 H new ATOM 0 HE2 LYS A 796 -20.188 -17.380 4.663 1.00 11.03 H new ATOM 0 HE3 LYS A 796 -21.377 -16.857 3.487 1.00 11.03 H new ATOM 0 HZ1 LYS A 796 -22.292 -16.865 5.713 1.00 14.43 H new ATOM 0 HZ2 LYS A 796 -23.094 -18.010 4.750 1.00 14.43 H new ATOM 0 HZ3 LYS A 796 -21.942 -18.517 5.890 1.00 14.43 H new ATOM 79 N PRO A 797 -18.209 -17.580 0.200 1.00 14.34 N ATOM 80 CA PRO A 797 -17.124 -17.378 -0.745 1.00 35.22 C ATOM 81 C PRO A 797 -17.387 -18.132 -2.050 1.00 20.41 C ATOM 82 O PRO A 797 -18.395 -18.826 -2.178 1.00 41.34 O ATOM 83 CB PRO A 797 -15.878 -17.859 -0.021 1.00 64.50 C ATOM 84 CG PRO A 797 -16.370 -18.739 1.117 1.00 4.32 C ATOM 85 CD PRO A 797 -17.861 -18.497 1.281 1.00 32.43 C ATOM 0 HA PRO A 797 -17.016 -16.336 -1.046 1.00 35.22 H new ATOM 0 HB2 PRO A 797 -15.227 -18.418 -0.693 1.00 64.50 H new ATOM 0 HB3 PRO A 797 -15.298 -17.018 0.359 1.00 64.50 H new ATOM 0 HG2 PRO A 797 -16.175 -19.789 0.899 1.00 4.32 H new ATOM 0 HG3 PRO A 797 -15.841 -18.501 2.040 1.00 4.32 H new ATOM 0 HD2 PRO A 797 -18.424 -19.428 1.207 1.00 32.43 H new ATOM 0 HD3 PRO A 797 -18.087 -18.064 2.256 1.00 32.43 H new ATOM 93 N LYS A 798 -16.462 -17.972 -2.985 1.00 54.31 N ATOM 94 CA LYS A 798 -16.581 -18.629 -4.276 1.00 11.04 C ATOM 95 C LYS A 798 -16.219 -20.108 -4.125 1.00 44.22 C ATOM 96 O LYS A 798 -15.578 -20.498 -3.150 1.00 52.51 O ATOM 97 CB LYS A 798 -15.748 -17.896 -5.329 1.00 13.30 C ATOM 98 CG LYS A 798 -16.494 -16.671 -5.862 1.00 51.41 C ATOM 99 CD LYS A 798 -16.201 -15.436 -5.008 1.00 12.33 C ATOM 100 CE LYS A 798 -16.605 -14.154 -5.739 1.00 73.35 C ATOM 101 NZ LYS A 798 -15.572 -13.774 -6.728 1.00 63.23 N ATOM 0 H LYS A 798 -15.627 -17.397 -2.874 1.00 54.31 H new ATOM 0 HA LYS A 798 -17.610 -18.587 -4.632 1.00 11.04 H new ATOM 0 HB2 LYS A 798 -14.797 -17.587 -4.895 1.00 13.30 H new ATOM 0 HB3 LYS A 798 -15.518 -18.573 -6.152 1.00 13.30 H new ATOM 0 HG2 LYS A 798 -16.199 -16.482 -6.894 1.00 51.41 H new ATOM 0 HG3 LYS A 798 -17.566 -16.868 -5.868 1.00 51.41 H new ATOM 0 HD2 LYS A 798 -16.741 -15.506 -4.064 1.00 12.33 H new ATOM 0 HD3 LYS A 798 -15.139 -15.401 -4.765 1.00 12.33 H new ATOM 0 HE2 LYS A 798 -17.561 -14.301 -6.241 1.00 73.35 H new ATOM 0 HE3 LYS A 798 -16.743 -13.346 -5.020 1.00 73.35 H new ATOM 0 HZ1 LYS A 798 -15.829 -12.867 -7.167 1.00 63.23 H new ATOM 0 HZ2 LYS A 798 -14.653 -13.680 -6.251 1.00 63.23 H new ATOM 0 HZ3 LYS A 798 -15.508 -14.508 -7.462 1.00 63.23 H new ATOM 114 N PRO A 799 -16.655 -20.912 -5.131 1.00 51.24 N ATOM 115 CA PRO A 799 -16.383 -22.339 -5.120 1.00 73.14 C ATOM 116 C PRO A 799 -14.924 -22.622 -5.481 1.00 24.11 C ATOM 117 O PRO A 799 -14.394 -22.052 -6.434 1.00 30.32 O ATOM 118 CB PRO A 799 -17.367 -22.935 -6.114 1.00 41.45 C ATOM 119 CG PRO A 799 -17.832 -21.778 -6.984 1.00 73.02 C ATOM 120 CD PRO A 799 -17.416 -20.485 -6.302 1.00 32.10 C ATOM 0 HA PRO A 799 -16.514 -22.784 -4.134 1.00 73.14 H new ATOM 0 HB2 PRO A 799 -16.893 -23.710 -6.716 1.00 41.45 H new ATOM 0 HB3 PRO A 799 -18.208 -23.400 -5.600 1.00 41.45 H new ATOM 0 HG2 PRO A 799 -17.389 -21.845 -7.977 1.00 73.02 H new ATOM 0 HG3 PRO A 799 -18.914 -21.810 -7.115 1.00 73.02 H new ATOM 0 HD2 PRO A 799 -16.810 -19.865 -6.963 1.00 32.10 H new ATOM 0 HD3 PRO A 799 -18.284 -19.891 -6.015 1.00 32.10 H new ATOM 128 N VAL A 800 -14.315 -23.502 -4.700 1.00 65.20 N ATOM 129 CA VAL A 800 -12.926 -23.868 -4.925 1.00 54.01 C ATOM 130 C VAL A 800 -12.828 -25.382 -5.125 1.00 53.31 C ATOM 131 O VAL A 800 -13.450 -26.150 -4.393 1.00 11.22 O ATOM 132 CB VAL A 800 -12.058 -23.360 -3.773 1.00 2.43 C ATOM 133 CG1 VAL A 800 -12.855 -23.305 -2.468 1.00 70.10 C ATOM 134 CG2 VAL A 800 -10.802 -24.219 -3.612 1.00 41.35 C ATOM 0 H VAL A 800 -14.758 -23.973 -3.911 1.00 65.20 H new ATOM 0 HA VAL A 800 -12.548 -23.395 -5.832 1.00 54.01 H new ATOM 0 HB VAL A 800 -11.741 -22.346 -4.015 1.00 2.43 H new ATOM 0 HG11 VAL A 800 -12.214 -22.940 -1.665 1.00 70.10 H new ATOM 0 HG12 VAL A 800 -13.704 -22.632 -2.588 1.00 70.10 H new ATOM 0 HG13 VAL A 800 -13.215 -24.303 -2.219 1.00 70.10 H new ATOM 0 HG21 VAL A 800 -10.203 -23.836 -2.786 1.00 41.35 H new ATOM 0 HG22 VAL A 800 -11.090 -25.249 -3.404 1.00 41.35 H new ATOM 0 HG23 VAL A 800 -10.217 -24.184 -4.531 1.00 41.35 H new ATOM 144 N PRO A 801 -12.022 -25.775 -6.147 1.00 24.32 N ATOM 145 CA PRO A 801 -11.834 -27.183 -6.452 1.00 70.44 C ATOM 146 C PRO A 801 -10.917 -27.850 -5.425 1.00 44.13 C ATOM 147 O PRO A 801 -11.387 -28.394 -4.427 1.00 55.44 O ATOM 148 CB PRO A 801 -11.265 -27.208 -7.862 1.00 2.35 C ATOM 149 CG PRO A 801 -10.721 -25.811 -8.116 1.00 32.14 C ATOM 150 CD PRO A 801 -11.270 -24.894 -7.035 1.00 5.21 C ATOM 0 HA PRO A 801 -12.763 -27.751 -6.401 1.00 70.44 H new ATOM 0 HB2 PRO A 801 -10.478 -27.956 -7.952 1.00 2.35 H new ATOM 0 HB3 PRO A 801 -12.035 -27.466 -8.589 1.00 2.35 H new ATOM 0 HG2 PRO A 801 -9.631 -25.816 -8.095 1.00 32.14 H new ATOM 0 HG3 PRO A 801 -11.019 -25.459 -9.103 1.00 32.14 H new ATOM 0 HD2 PRO A 801 -10.467 -24.386 -6.501 1.00 5.21 H new ATOM 0 HD3 PRO A 801 -11.910 -24.120 -7.460 1.00 5.21 H new ATOM 158 N ASP A 802 -9.623 -27.786 -5.705 1.00 51.10 N ATOM 159 CA ASP A 802 -8.635 -28.376 -4.818 1.00 34.32 C ATOM 160 C ASP A 802 -7.422 -27.449 -4.724 1.00 22.32 C ATOM 161 O ASP A 802 -7.465 -26.315 -5.197 1.00 2.31 O ATOM 162 CB ASP A 802 -8.157 -29.729 -5.349 1.00 21.03 C ATOM 163 CG ASP A 802 -7.801 -30.757 -4.273 1.00 10.23 C ATOM 164 OD1 ASP A 802 -8.679 -31.444 -3.730 1.00 73.04 O ATOM 165 OD2 ASP A 802 -6.545 -30.839 -3.992 1.00 3.04 O ATOM 0 H ASP A 802 -9.236 -27.334 -6.534 1.00 51.10 H new ATOM 0 HA ASP A 802 -9.099 -28.515 -3.841 1.00 34.32 H new ATOM 0 HB2 ASP A 802 -8.936 -30.148 -5.987 1.00 21.03 H new ATOM 0 HB3 ASP A 802 -7.282 -29.567 -5.979 1.00 21.03 H new ATOM 171 N LYS A 803 -6.368 -27.967 -4.110 1.00 10.01 N ATOM 172 CA LYS A 803 -5.145 -27.200 -3.948 1.00 3.12 C ATOM 173 C LYS A 803 -3.950 -28.155 -3.907 1.00 34.35 C ATOM 174 O LYS A 803 -4.117 -29.368 -4.022 1.00 32.52 O ATOM 175 CB LYS A 803 -5.244 -26.286 -2.725 1.00 5.22 C ATOM 176 CG LYS A 803 -5.381 -27.104 -1.439 1.00 1.51 C ATOM 177 CD LYS A 803 -6.142 -26.318 -0.368 1.00 65.34 C ATOM 178 CE LYS A 803 -6.616 -27.242 0.755 1.00 13.32 C ATOM 179 NZ LYS A 803 -7.459 -28.330 0.211 1.00 41.13 N ATOM 0 H LYS A 803 -6.336 -28.908 -3.719 1.00 10.01 H new ATOM 0 HA LYS A 803 -4.995 -26.538 -4.801 1.00 3.12 H new ATOM 0 HB2 LYS A 803 -4.358 -25.654 -2.666 1.00 5.22 H new ATOM 0 HB3 LYS A 803 -6.102 -25.622 -2.831 1.00 5.22 H new ATOM 0 HG2 LYS A 803 -5.904 -28.037 -1.651 1.00 1.51 H new ATOM 0 HG3 LYS A 803 -4.392 -27.370 -1.066 1.00 1.51 H new ATOM 0 HD2 LYS A 803 -5.499 -25.540 0.043 1.00 65.34 H new ATOM 0 HD3 LYS A 803 -6.999 -25.818 -0.819 1.00 65.34 H new ATOM 0 HE2 LYS A 803 -5.755 -27.665 1.273 1.00 13.32 H new ATOM 0 HE3 LYS A 803 -7.181 -26.670 1.491 1.00 13.32 H new ATOM 0 HZ1 LYS A 803 -8.424 -28.243 0.589 1.00 41.13 H new ATOM 0 HZ2 LYS A 803 -7.486 -28.263 -0.826 1.00 41.13 H new ATOM 0 HZ3 LYS A 803 -7.060 -29.250 0.488 1.00 41.13 H new ATOM 192 N GLU A 804 -2.772 -27.572 -3.742 1.00 32.12 N ATOM 193 CA GLU A 804 -1.550 -28.356 -3.684 1.00 34.41 C ATOM 194 C GLU A 804 -0.708 -27.938 -2.477 1.00 44.15 C ATOM 195 O GLU A 804 -0.330 -28.775 -1.659 1.00 61.13 O ATOM 196 CB GLU A 804 -0.752 -28.225 -4.982 1.00 53.35 C ATOM 197 CG GLU A 804 -1.618 -28.572 -6.196 1.00 4.24 C ATOM 198 CD GLU A 804 -1.211 -27.741 -7.415 1.00 33.05 C ATOM 199 OE1 GLU A 804 -1.559 -26.554 -7.500 1.00 12.25 O ATOM 200 OE2 GLU A 804 -0.508 -28.371 -8.294 1.00 3.35 O ATOM 0 H GLU A 804 -2.638 -26.565 -3.647 1.00 32.12 H new ATOM 0 HA GLU A 804 -1.820 -29.406 -3.568 1.00 34.41 H new ATOM 0 HB2 GLU A 804 -0.374 -27.207 -5.079 1.00 53.35 H new ATOM 0 HB3 GLU A 804 0.115 -28.885 -4.948 1.00 53.35 H new ATOM 0 HG2 GLU A 804 -1.520 -29.633 -6.426 1.00 4.24 H new ATOM 0 HG3 GLU A 804 -2.667 -28.392 -5.962 1.00 4.24 H new ATOM 208 N ASN A 805 -0.438 -26.643 -2.405 1.00 44.12 N ATOM 209 CA ASN A 805 0.354 -26.103 -1.312 1.00 74.25 C ATOM 210 C ASN A 805 -0.476 -25.067 -0.552 1.00 4.43 C ATOM 211 O ASN A 805 -1.342 -24.413 -1.131 1.00 21.02 O ATOM 212 CB ASN A 805 1.613 -25.410 -1.835 1.00 5.13 C ATOM 213 CG ASN A 805 2.188 -24.454 -0.787 1.00 33.20 C ATOM 214 OD1 ASN A 805 2.371 -23.271 -1.022 1.00 62.24 O ATOM 215 ND2 ASN A 805 2.460 -25.031 0.380 1.00 63.21 N ATOM 0 H ASN A 805 -0.753 -25.952 -3.085 1.00 44.12 H new ATOM 0 HA ASN A 805 0.642 -26.929 -0.662 1.00 74.25 H new ATOM 0 HB2 ASN A 805 2.361 -26.158 -2.100 1.00 5.13 H new ATOM 0 HB3 ASN A 805 1.378 -24.859 -2.745 1.00 5.13 H new ATOM 0 HD21 ASN A 805 2.846 -24.478 1.145 1.00 63.21 H new ATOM 0 HD22 ASN A 805 2.283 -26.027 0.510 1.00 63.21 H new ATOM 222 N LYS A 806 -0.181 -24.948 0.735 1.00 62.44 N ATOM 223 CA LYS A 806 -0.888 -24.002 1.581 1.00 73.43 C ATOM 224 C LYS A 806 0.110 -23.312 2.512 1.00 41.33 C ATOM 225 O LYS A 806 1.134 -23.892 2.870 1.00 13.14 O ATOM 226 CB LYS A 806 -2.037 -24.696 2.316 1.00 23.12 C ATOM 227 CG LYS A 806 -2.463 -23.894 3.548 1.00 61.24 C ATOM 228 CD LYS A 806 -3.918 -24.189 3.917 1.00 52.41 C ATOM 229 CE LYS A 806 -4.194 -25.693 3.903 1.00 63.51 C ATOM 230 NZ LYS A 806 -5.531 -25.981 4.468 1.00 51.22 N ATOM 0 H LYS A 806 0.538 -25.492 1.212 1.00 62.44 H new ATOM 0 HA LYS A 806 -1.351 -23.222 0.976 1.00 73.43 H new ATOM 0 HB2 LYS A 806 -2.886 -24.814 1.643 1.00 23.12 H new ATOM 0 HB3 LYS A 806 -1.729 -25.697 2.618 1.00 23.12 H new ATOM 0 HG2 LYS A 806 -1.814 -24.139 4.389 1.00 61.24 H new ATOM 0 HG3 LYS A 806 -2.342 -22.828 3.352 1.00 61.24 H new ATOM 0 HD2 LYS A 806 -4.135 -23.785 4.906 1.00 52.41 H new ATOM 0 HD3 LYS A 806 -4.584 -23.687 3.215 1.00 52.41 H new ATOM 0 HE2 LYS A 806 -4.136 -26.070 2.882 1.00 63.51 H new ATOM 0 HE3 LYS A 806 -3.429 -26.214 4.479 1.00 63.51 H new ATOM 0 HZ1 LYS A 806 -5.548 -26.951 4.842 1.00 51.22 H new ATOM 0 HZ2 LYS A 806 -5.735 -25.310 5.236 1.00 51.22 H new ATOM 0 HZ3 LYS A 806 -6.251 -25.885 3.723 1.00 51.22 H new ATOM 243 N LYS A 807 -0.223 -22.082 2.877 1.00 64.25 N ATOM 244 CA LYS A 807 0.632 -21.306 3.759 1.00 62.30 C ATOM 245 C LYS A 807 0.105 -21.409 5.192 1.00 45.42 C ATOM 246 O LYS A 807 -1.074 -21.683 5.405 1.00 34.11 O ATOM 247 CB LYS A 807 0.761 -19.868 3.252 1.00 32.32 C ATOM 248 CG LYS A 807 1.472 -18.986 4.280 1.00 23.32 C ATOM 249 CD LYS A 807 1.489 -17.524 3.830 1.00 22.10 C ATOM 250 CE LYS A 807 0.072 -16.950 3.778 1.00 30.03 C ATOM 251 NZ LYS A 807 0.108 -15.473 3.857 1.00 41.50 N ATOM 0 H LYS A 807 -1.073 -21.604 2.578 1.00 64.25 H new ATOM 0 HA LYS A 807 1.644 -21.710 3.761 1.00 62.30 H new ATOM 0 HB2 LYS A 807 1.315 -19.858 2.313 1.00 32.32 H new ATOM 0 HB3 LYS A 807 -0.229 -19.462 3.042 1.00 32.32 H new ATOM 0 HG2 LYS A 807 0.970 -19.068 5.244 1.00 23.32 H new ATOM 0 HG3 LYS A 807 2.494 -19.338 4.422 1.00 23.32 H new ATOM 0 HD2 LYS A 807 2.099 -16.936 4.516 1.00 22.10 H new ATOM 0 HD3 LYS A 807 1.952 -17.448 2.846 1.00 22.10 H new ATOM 0 HE2 LYS A 807 -0.418 -17.259 2.855 1.00 30.03 H new ATOM 0 HE3 LYS A 807 -0.519 -17.350 4.602 1.00 30.03 H new ATOM 0 HZ1 LYS A 807 -0.774 -15.127 4.286 1.00 41.50 H new ATOM 0 HZ2 LYS A 807 0.916 -15.176 4.440 1.00 41.50 H new ATOM 0 HZ3 LYS A 807 0.207 -15.077 2.901 1.00 41.50 H new ATOM 264 N LEU A 808 1.006 -21.182 6.137 1.00 61.41 N ATOM 265 CA LEU A 808 0.647 -21.246 7.543 1.00 11.34 C ATOM 266 C LEU A 808 1.051 -19.939 8.228 1.00 45.51 C ATOM 267 O LEU A 808 1.966 -19.253 7.774 1.00 40.15 O ATOM 268 CB LEU A 808 1.249 -22.493 8.194 1.00 13.34 C ATOM 269 CG LEU A 808 0.610 -23.827 7.805 1.00 71.32 C ATOM 270 CD1 LEU A 808 1.331 -24.451 6.608 1.00 34.53 C ATOM 271 CD2 LEU A 808 0.555 -24.779 9.001 1.00 25.24 C ATOM 0 H LEU A 808 1.984 -20.954 5.956 1.00 61.41 H new ATOM 0 HA LEU A 808 -0.433 -21.345 7.656 1.00 11.34 H new ATOM 0 HB2 LEU A 808 2.309 -22.534 7.943 1.00 13.34 H new ATOM 0 HB3 LEU A 808 1.181 -22.382 9.276 1.00 13.34 H new ATOM 0 HG LEU A 808 -0.419 -23.637 7.499 1.00 71.32 H new ATOM 0 HD11 LEU A 808 0.857 -25.399 6.351 1.00 34.53 H new ATOM 0 HD12 LEU A 808 1.274 -23.774 5.756 1.00 34.53 H new ATOM 0 HD13 LEU A 808 2.376 -24.625 6.863 1.00 34.53 H new ATOM 0 HD21 LEU A 808 0.096 -25.720 8.696 1.00 25.24 H new ATOM 0 HD22 LEU A 808 1.566 -24.968 9.362 1.00 25.24 H new ATOM 0 HD23 LEU A 808 -0.036 -24.328 9.798 1.00 25.24 H new ATOM 283 N LEU A 809 0.350 -19.633 9.310 1.00 44.33 N ATOM 284 CA LEU A 809 0.625 -18.420 10.061 1.00 0.14 C ATOM 285 C LEU A 809 0.667 -18.749 11.555 1.00 72.30 C ATOM 286 O LEU A 809 0.250 -19.831 11.968 1.00 45.43 O ATOM 287 CB LEU A 809 -0.382 -17.326 9.701 1.00 73.33 C ATOM 288 CG LEU A 809 0.074 -16.316 8.646 1.00 14.32 C ATOM 289 CD1 LEU A 809 -0.119 -16.872 7.234 1.00 23.32 C ATOM 290 CD2 LEU A 809 -0.633 -14.971 8.834 1.00 64.54 C ATOM 0 H LEU A 809 -0.408 -20.204 9.684 1.00 44.33 H new ATOM 0 HA LEU A 809 1.603 -18.021 9.794 1.00 0.14 H new ATOM 0 HB2 LEU A 809 -1.296 -17.803 9.347 1.00 73.33 H new ATOM 0 HB3 LEU A 809 -0.638 -16.782 10.610 1.00 73.33 H new ATOM 0 HG LEU A 809 1.142 -16.141 8.779 1.00 14.32 H new ATOM 0 HD11 LEU A 809 0.213 -16.134 6.504 1.00 23.32 H new ATOM 0 HD12 LEU A 809 0.466 -17.785 7.119 1.00 23.32 H new ATOM 0 HD13 LEU A 809 -1.174 -17.094 7.071 1.00 23.32 H new ATOM 0 HD21 LEU A 809 -0.291 -14.271 8.072 1.00 64.54 H new ATOM 0 HD22 LEU A 809 -1.710 -15.110 8.742 1.00 64.54 H new ATOM 0 HD23 LEU A 809 -0.401 -14.573 9.822 1.00 64.54 H new ATOM 302 N CYS A 810 1.173 -17.797 12.324 1.00 0.14 N ATOM 303 CA CYS A 810 1.275 -17.972 13.763 1.00 35.23 C ATOM 304 C CYS A 810 0.170 -17.147 14.427 1.00 61.22 C ATOM 305 O CYS A 810 0.240 -15.920 14.456 1.00 11.52 O ATOM 306 CB CYS A 810 2.662 -17.591 14.283 1.00 2.10 C ATOM 307 SG CYS A 810 3.163 -18.731 15.624 1.00 10.32 S ATOM 0 H CYS A 810 1.517 -16.901 11.978 1.00 0.14 H new ATOM 0 HA CYS A 810 1.142 -19.024 14.014 1.00 35.23 H new ATOM 0 HB2 CYS A 810 3.388 -17.631 13.471 1.00 2.10 H new ATOM 0 HB3 CYS A 810 2.652 -16.565 14.651 1.00 2.10 H new ATOM 0 HG CYS A 810 3.875 -18.085 16.499 1.00 10.32 H new ATOM 313 N ARG A 811 -0.824 -17.855 14.943 1.00 1.22 N ATOM 314 CA ARG A 811 -1.942 -17.203 15.605 1.00 63.34 C ATOM 315 C ARG A 811 -1.437 -16.103 16.540 1.00 41.43 C ATOM 316 O ARG A 811 -2.155 -15.144 16.821 1.00 71.41 O ATOM 317 CB ARG A 811 -2.767 -18.209 16.410 1.00 1.32 C ATOM 318 CG ARG A 811 -4.085 -17.587 16.876 1.00 33.52 C ATOM 319 CD ARG A 811 -3.939 -16.971 18.269 1.00 20.51 C ATOM 320 NE ARG A 811 -4.926 -15.883 18.448 1.00 72.45 N ATOM 321 CZ ARG A 811 -4.981 -15.082 19.532 1.00 10.42 C ATOM 322 NH1 ARG A 811 -4.104 -15.240 20.546 1.00 1.42 N ATOM 323 NH2 ARG A 811 -5.905 -14.141 19.587 1.00 54.24 N ATOM 0 H ARG A 811 -0.879 -18.873 14.916 1.00 1.22 H new ATOM 0 HA ARG A 811 -2.575 -16.765 14.833 1.00 63.34 H new ATOM 0 HB2 ARG A 811 -2.971 -19.089 15.800 1.00 1.32 H new ATOM 0 HB3 ARG A 811 -2.194 -18.546 17.274 1.00 1.32 H new ATOM 0 HG2 ARG A 811 -4.400 -16.821 16.167 1.00 33.52 H new ATOM 0 HG3 ARG A 811 -4.865 -18.348 16.891 1.00 33.52 H new ATOM 0 HD2 ARG A 811 -4.087 -17.736 19.031 1.00 20.51 H new ATOM 0 HD3 ARG A 811 -2.929 -16.582 18.399 1.00 20.51 H new ATOM 0 HE ARG A 811 -5.608 -15.729 17.705 1.00 72.45 H new ATOM 0 HH11 ARG A 811 -3.393 -15.969 20.496 1.00 1.42 H new ATOM 0 HH12 ARG A 811 -4.153 -14.630 21.362 1.00 1.42 H new ATOM 0 HH21 ARG A 811 -6.564 -14.028 18.817 1.00 54.24 H new ATOM 0 HH22 ARG A 811 -5.960 -13.527 20.400 1.00 54.24 H new ATOM 336 N LYS A 812 -0.205 -16.277 16.996 1.00 52.54 N ATOM 337 CA LYS A 812 0.404 -15.310 17.893 1.00 1.23 C ATOM 338 C LYS A 812 0.090 -13.895 17.402 1.00 74.40 C ATOM 339 O LYS A 812 -0.771 -13.217 17.961 1.00 73.44 O ATOM 340 CB LYS A 812 1.901 -15.589 18.046 1.00 75.40 C ATOM 341 CG LYS A 812 2.233 -16.032 19.472 1.00 32.43 C ATOM 342 CD LYS A 812 3.208 -17.212 19.467 1.00 52.50 C ATOM 343 CE LYS A 812 2.479 -18.524 19.172 1.00 22.12 C ATOM 344 NZ LYS A 812 3.400 -19.499 18.545 1.00 10.50 N ATOM 0 H LYS A 812 0.388 -17.073 16.761 1.00 52.54 H new ATOM 0 HA LYS A 812 -0.018 -15.402 18.894 1.00 1.23 H new ATOM 0 HB2 LYS A 812 2.204 -16.363 17.341 1.00 75.40 H new ATOM 0 HB3 LYS A 812 2.469 -14.692 17.798 1.00 75.40 H new ATOM 0 HG2 LYS A 812 2.668 -15.199 20.024 1.00 32.43 H new ATOM 0 HG3 LYS A 812 1.317 -16.315 19.991 1.00 32.43 H new ATOM 0 HD2 LYS A 812 3.982 -17.046 18.718 1.00 52.50 H new ATOM 0 HD3 LYS A 812 3.708 -17.279 20.433 1.00 52.50 H new ATOM 0 HE2 LYS A 812 2.075 -18.938 20.096 1.00 22.12 H new ATOM 0 HE3 LYS A 812 1.633 -18.336 18.510 1.00 22.12 H new ATOM 0 HZ1 LYS A 812 3.026 -20.461 18.672 1.00 10.50 H new ATOM 0 HZ2 LYS A 812 3.485 -19.292 17.529 1.00 10.50 H new ATOM 0 HZ3 LYS A 812 4.336 -19.429 18.992 1.00 10.50 H new ATOM 357 N CYS A 813 0.805 -13.492 16.362 1.00 14.01 N ATOM 358 CA CYS A 813 0.613 -12.170 15.789 1.00 33.52 C ATOM 359 C CYS A 813 0.160 -12.337 14.337 1.00 32.44 C ATOM 360 O CYS A 813 0.276 -11.411 13.537 1.00 63.03 O ATOM 361 CB CYS A 813 1.878 -11.318 15.898 1.00 43.32 C ATOM 362 SG CYS A 813 1.453 -9.544 15.749 1.00 74.24 S ATOM 0 H CYS A 813 1.518 -14.057 15.901 1.00 14.01 H new ATOM 0 HA CYS A 813 -0.155 -11.636 16.349 1.00 33.52 H new ATOM 0 HB2 CYS A 813 2.370 -11.504 16.853 1.00 43.32 H new ATOM 0 HB3 CYS A 813 2.584 -11.598 15.116 1.00 43.32 H new ATOM 0 HG CYS A 813 0.687 -9.367 14.714 1.00 74.24 H new ATOM 368 N LYS A 814 -0.347 -13.525 14.042 1.00 34.31 N ATOM 369 CA LYS A 814 -0.818 -13.825 12.701 1.00 73.53 C ATOM 370 C LYS A 814 0.274 -13.472 11.690 1.00 5.40 C ATOM 371 O LYS A 814 0.139 -12.509 10.936 1.00 65.31 O ATOM 372 CB LYS A 814 -2.153 -13.127 12.433 1.00 72.42 C ATOM 373 CG LYS A 814 -2.934 -12.921 13.732 1.00 15.00 C ATOM 374 CD LYS A 814 -3.223 -14.258 14.417 1.00 63.52 C ATOM 375 CE LYS A 814 -4.233 -15.079 13.613 1.00 31.40 C ATOM 376 NZ LYS A 814 -5.572 -14.450 13.666 1.00 5.01 N ATOM 0 H LYS A 814 -0.442 -14.291 14.709 1.00 34.31 H new ATOM 0 HA LYS A 814 -1.016 -14.892 12.597 1.00 73.53 H new ATOM 0 HB2 LYS A 814 -1.974 -12.164 11.955 1.00 72.42 H new ATOM 0 HB3 LYS A 814 -2.746 -13.722 11.738 1.00 72.42 H new ATOM 0 HG2 LYS A 814 -2.365 -12.279 14.405 1.00 15.00 H new ATOM 0 HG3 LYS A 814 -3.872 -12.407 13.519 1.00 15.00 H new ATOM 0 HD2 LYS A 814 -2.297 -14.822 14.528 1.00 63.52 H new ATOM 0 HD3 LYS A 814 -3.610 -14.080 15.420 1.00 63.52 H new ATOM 0 HE2 LYS A 814 -3.903 -15.159 12.577 1.00 31.40 H new ATOM 0 HE3 LYS A 814 -4.285 -16.093 14.010 1.00 31.40 H new ATOM 0 HZ1 LYS A 814 -6.290 -15.136 13.358 1.00 5.01 H new ATOM 0 HZ2 LYS A 814 -5.776 -14.149 14.640 1.00 5.01 H new ATOM 0 HZ3 LYS A 814 -5.592 -13.622 13.037 1.00 5.01 H new ATOM 389 N ALA A 815 1.333 -14.269 11.707 1.00 14.24 N ATOM 390 CA ALA A 815 2.448 -14.052 10.802 1.00 41.21 C ATOM 391 C ALA A 815 2.903 -15.396 10.229 1.00 2.51 C ATOM 392 O ALA A 815 2.868 -16.413 10.920 1.00 43.41 O ATOM 393 CB ALA A 815 3.572 -13.323 11.541 1.00 14.52 C ATOM 0 H ALA A 815 1.442 -15.066 12.334 1.00 14.24 H new ATOM 0 HA ALA A 815 2.146 -13.422 9.966 1.00 41.21 H new ATOM 0 HB1 ALA A 815 4.409 -13.160 10.861 1.00 14.52 H new ATOM 0 HB2 ALA A 815 3.206 -12.362 11.903 1.00 14.52 H new ATOM 0 HB3 ALA A 815 3.903 -13.927 12.386 1.00 14.52 H new ATOM 399 N LEU A 816 3.320 -15.356 8.972 1.00 74.11 N ATOM 400 CA LEU A 816 3.781 -16.558 8.298 1.00 21.14 C ATOM 401 C LEU A 816 4.615 -17.394 9.271 1.00 20.31 C ATOM 402 O LEU A 816 5.480 -16.865 9.967 1.00 50.51 O ATOM 403 CB LEU A 816 4.519 -16.199 7.007 1.00 0.11 C ATOM 404 CG LEU A 816 5.355 -17.316 6.379 1.00 32.22 C ATOM 405 CD1 LEU A 816 6.601 -17.607 7.218 1.00 15.34 C ATOM 406 CD2 LEU A 816 4.510 -18.572 6.153 1.00 2.23 C ATOM 0 H LEU A 816 3.348 -14.510 8.403 1.00 74.11 H new ATOM 0 HA LEU A 816 2.934 -17.173 7.993 1.00 21.14 H new ATOM 0 HB2 LEU A 816 3.785 -15.865 6.273 1.00 0.11 H new ATOM 0 HB3 LEU A 816 5.174 -15.352 7.210 1.00 0.11 H new ATOM 0 HG LEU A 816 5.698 -16.978 5.401 1.00 32.22 H new ATOM 0 HD11 LEU A 816 7.177 -18.405 6.749 1.00 15.34 H new ATOM 0 HD12 LEU A 816 7.213 -16.708 7.284 1.00 15.34 H new ATOM 0 HD13 LEU A 816 6.301 -17.916 8.219 1.00 15.34 H new ATOM 0 HD21 LEU A 816 5.128 -19.351 5.706 1.00 2.23 H new ATOM 0 HD22 LEU A 816 4.118 -18.923 7.107 1.00 2.23 H new ATOM 0 HD23 LEU A 816 3.681 -18.338 5.485 1.00 2.23 H new ATOM 418 N ALA A 817 4.326 -18.687 9.288 1.00 32.14 N ATOM 419 CA ALA A 817 5.038 -19.602 10.164 1.00 2.22 C ATOM 420 C ALA A 817 5.769 -20.646 9.318 1.00 5.20 C ATOM 421 O ALA A 817 6.953 -20.906 9.532 1.00 14.41 O ATOM 422 CB ALA A 817 4.054 -20.235 11.150 1.00 25.30 C ATOM 0 H ALA A 817 3.608 -19.123 8.709 1.00 32.14 H new ATOM 0 HA ALA A 817 5.787 -19.069 10.749 1.00 2.22 H new ATOM 0 HB1 ALA A 817 4.588 -20.921 11.807 1.00 25.30 H new ATOM 0 HB2 ALA A 817 3.584 -19.454 11.747 1.00 25.30 H new ATOM 0 HB3 ALA A 817 3.288 -20.782 10.600 1.00 25.30 H new ATOM 428 N CYS A 818 5.035 -21.216 8.375 1.00 73.34 N ATOM 429 CA CYS A 818 5.599 -22.226 7.495 1.00 34.32 C ATOM 430 C CYS A 818 4.586 -22.517 6.386 1.00 33.10 C ATOM 431 O CYS A 818 3.564 -21.840 6.281 1.00 70.35 O ATOM 432 CB CYS A 818 5.984 -23.493 8.262 1.00 3.32 C ATOM 433 SG CYS A 818 4.651 -23.947 9.430 1.00 30.33 S ATOM 0 H CYS A 818 4.054 -20.998 8.200 1.00 73.34 H new ATOM 0 HA CYS A 818 6.523 -21.852 7.053 1.00 34.32 H new ATOM 0 HB2 CYS A 818 6.161 -24.311 7.564 1.00 3.32 H new ATOM 0 HB3 CYS A 818 6.915 -23.330 8.805 1.00 3.32 H new ATOM 0 HG CYS A 818 5.076 -24.877 10.233 1.00 30.33 H new ATOM 439 N TYR A 819 4.904 -23.525 5.587 1.00 42.31 N ATOM 440 CA TYR A 819 4.035 -23.913 4.490 1.00 73.35 C ATOM 441 C TYR A 819 3.801 -25.425 4.484 1.00 22.40 C ATOM 442 O TYR A 819 4.711 -26.199 4.778 1.00 3.23 O ATOM 443 CB TYR A 819 4.771 -23.518 3.208 1.00 70.42 C ATOM 444 CG TYR A 819 4.911 -22.008 3.011 1.00 54.41 C ATOM 445 CD1 TYR A 819 3.861 -21.280 2.486 1.00 24.14 C ATOM 446 CD2 TYR A 819 6.086 -21.372 3.358 1.00 75.15 C ATOM 447 CE1 TYR A 819 3.993 -19.858 2.301 1.00 72.20 C ATOM 448 CE2 TYR A 819 6.217 -19.950 3.172 1.00 31.21 C ATOM 449 CZ TYR A 819 5.164 -19.263 2.653 1.00 21.40 C ATOM 450 OH TYR A 819 5.288 -17.920 2.478 1.00 61.41 O ATOM 0 H TYR A 819 5.752 -24.085 5.678 1.00 42.31 H new ATOM 0 HA TYR A 819 3.063 -23.427 4.581 1.00 73.35 H new ATOM 0 HB2 TYR A 819 5.765 -23.966 3.219 1.00 70.42 H new ATOM 0 HB3 TYR A 819 4.241 -23.938 2.353 1.00 70.42 H new ATOM 0 HD1 TYR A 819 2.941 -21.777 2.214 1.00 24.14 H new ATOM 0 HD2 TYR A 819 6.907 -21.941 3.769 1.00 75.15 H new ATOM 0 HE1 TYR A 819 3.180 -19.277 1.892 1.00 72.20 H new ATOM 0 HE2 TYR A 819 7.131 -19.440 3.439 1.00 31.21 H new ATOM 0 HH TYR A 819 6.177 -17.632 2.774 1.00 61.41 H new ATOM 460 N THR A 820 2.577 -25.802 4.146 1.00 54.30 N ATOM 461 CA THR A 820 2.212 -27.207 4.098 1.00 31.43 C ATOM 462 C THR A 820 3.107 -27.957 3.110 1.00 61.31 C ATOM 463 O THR A 820 3.327 -29.159 3.254 1.00 4.24 O ATOM 464 CB THR A 820 0.723 -27.298 3.759 1.00 32.31 C ATOM 465 OG1 THR A 820 0.291 -28.491 4.408 1.00 1.04 O ATOM 466 CG2 THR A 820 0.476 -27.572 2.274 1.00 21.22 C ATOM 0 H THR A 820 1.825 -25.158 3.902 1.00 54.30 H new ATOM 0 HA THR A 820 2.370 -27.690 5.062 1.00 31.43 H new ATOM 0 HB THR A 820 0.229 -26.369 4.044 1.00 32.31 H new ATOM 0 HG1 THR A 820 0.638 -29.270 3.925 1.00 1.04 H new ATOM 0 HG21 THR A 820 -0.597 -27.627 2.088 1.00 21.22 H new ATOM 0 HG22 THR A 820 0.907 -26.767 1.679 1.00 21.22 H new ATOM 0 HG23 THR A 820 0.942 -28.518 1.996 1.00 21.22 H new ATOM 474 N ALA A 821 3.599 -27.217 2.127 1.00 21.13 N ATOM 475 CA ALA A 821 4.465 -27.797 1.115 1.00 5.11 C ATOM 476 C ALA A 821 5.720 -28.359 1.786 1.00 64.44 C ATOM 477 O ALA A 821 6.421 -29.186 1.204 1.00 25.33 O ATOM 478 CB ALA A 821 4.793 -26.741 0.057 1.00 11.05 C ATOM 0 H ALA A 821 3.414 -26.221 2.010 1.00 21.13 H new ATOM 0 HA ALA A 821 3.964 -28.622 0.608 1.00 5.11 H new ATOM 0 HB1 ALA A 821 5.443 -27.176 -0.702 1.00 11.05 H new ATOM 0 HB2 ALA A 821 3.871 -26.395 -0.410 1.00 11.05 H new ATOM 0 HB3 ALA A 821 5.299 -25.899 0.528 1.00 11.05 H new ATOM 484 N ASP A 822 5.966 -27.888 2.999 1.00 34.44 N ATOM 485 CA ASP A 822 7.124 -28.334 3.755 1.00 31.12 C ATOM 486 C ASP A 822 6.667 -28.860 5.117 1.00 30.42 C ATOM 487 O ASP A 822 7.364 -28.694 6.117 1.00 41.41 O ATOM 488 CB ASP A 822 8.100 -27.181 3.997 1.00 24.52 C ATOM 489 CG ASP A 822 8.295 -26.239 2.808 1.00 2.41 C ATOM 490 OD1 ASP A 822 9.371 -26.200 2.194 1.00 45.45 O ATOM 491 OD2 ASP A 822 7.270 -25.512 2.515 1.00 62.45 O ATOM 0 H ASP A 822 5.383 -27.201 3.478 1.00 34.44 H new ATOM 0 HA ASP A 822 7.622 -29.114 3.180 1.00 31.12 H new ATOM 0 HB2 ASP A 822 7.747 -26.599 4.848 1.00 24.52 H new ATOM 0 HB3 ASP A 822 9.069 -27.597 4.274 1.00 24.52 H new ATOM 497 N VAL A 823 5.499 -29.485 5.113 1.00 72.42 N ATOM 498 CA VAL A 823 4.941 -30.037 6.336 1.00 74.34 C ATOM 499 C VAL A 823 4.980 -31.565 6.265 1.00 24.11 C ATOM 500 O VAL A 823 4.535 -32.157 5.283 1.00 45.44 O ATOM 501 CB VAL A 823 3.532 -29.486 6.563 1.00 14.22 C ATOM 502 CG1 VAL A 823 2.726 -30.403 7.485 1.00 60.40 C ATOM 503 CG2 VAL A 823 3.584 -28.061 7.117 1.00 13.50 C ATOM 0 H VAL A 823 4.923 -29.622 4.282 1.00 72.42 H new ATOM 0 HA VAL A 823 5.537 -29.736 7.198 1.00 74.34 H new ATOM 0 HB VAL A 823 3.026 -29.453 5.598 1.00 14.22 H new ATOM 0 HG11 VAL A 823 1.729 -29.988 7.630 1.00 60.40 H new ATOM 0 HG12 VAL A 823 2.646 -31.392 7.034 1.00 60.40 H new ATOM 0 HG13 VAL A 823 3.229 -30.483 8.449 1.00 60.40 H new ATOM 0 HG21 VAL A 823 2.570 -27.693 7.269 1.00 13.50 H new ATOM 0 HG22 VAL A 823 4.117 -28.059 8.068 1.00 13.50 H new ATOM 0 HG23 VAL A 823 4.102 -27.414 6.409 1.00 13.50 H new ATOM 513 N ARG A 824 5.517 -32.161 7.320 1.00 44.51 N ATOM 514 CA ARG A 824 5.621 -33.608 7.390 1.00 20.20 C ATOM 515 C ARG A 824 5.429 -34.085 8.831 1.00 14.11 C ATOM 516 O ARG A 824 6.016 -33.527 9.757 1.00 72.12 O ATOM 517 CB ARG A 824 6.981 -34.088 6.879 1.00 73.44 C ATOM 518 CG ARG A 824 6.918 -34.424 5.387 1.00 1.30 C ATOM 519 CD ARG A 824 8.322 -34.605 4.807 1.00 61.35 C ATOM 520 NE ARG A 824 8.351 -34.146 3.400 1.00 45.00 N ATOM 521 CZ ARG A 824 9.221 -34.601 2.473 1.00 32.40 C ATOM 522 NH1 ARG A 824 10.141 -35.534 2.797 1.00 64.31 N ATOM 523 NH2 ARG A 824 9.157 -34.121 1.245 1.00 4.23 N ATOM 0 H ARG A 824 5.885 -31.667 8.133 1.00 44.51 H new ATOM 0 HA ARG A 824 4.839 -34.027 6.757 1.00 20.20 H new ATOM 0 HB2 ARG A 824 7.731 -33.316 7.050 1.00 73.44 H new ATOM 0 HB3 ARG A 824 7.295 -34.968 7.441 1.00 73.44 H new ATOM 0 HG2 ARG A 824 6.339 -35.336 5.240 1.00 1.30 H new ATOM 0 HG3 ARG A 824 6.400 -33.628 4.853 1.00 1.30 H new ATOM 0 HD2 ARG A 824 9.044 -34.041 5.397 1.00 61.35 H new ATOM 0 HD3 ARG A 824 8.615 -35.653 4.862 1.00 61.35 H new ATOM 0 HE ARG A 824 7.671 -33.442 3.113 1.00 45.00 H new ATOM 0 HH11 ARG A 824 10.183 -35.901 3.748 1.00 64.31 H new ATOM 0 HH12 ARG A 824 10.795 -35.873 2.091 1.00 64.31 H new ATOM 0 HH21 ARG A 824 8.458 -33.417 1.008 1.00 4.23 H new ATOM 0 HH22 ARG A 824 9.807 -34.454 0.533 1.00 4.23 H new ATOM 536 N VAL A 825 4.604 -35.112 8.976 1.00 51.32 N ATOM 537 CA VAL A 825 4.327 -35.670 10.288 1.00 13.24 C ATOM 538 C VAL A 825 5.137 -36.955 10.473 1.00 54.40 C ATOM 539 O VAL A 825 5.515 -37.600 9.496 1.00 4.44 O ATOM 540 CB VAL A 825 2.821 -35.882 10.459 1.00 22.44 C ATOM 541 CG1 VAL A 825 2.124 -34.577 10.848 1.00 72.20 C ATOM 542 CG2 VAL A 825 2.204 -36.478 9.192 1.00 2.32 C ATOM 0 H VAL A 825 4.119 -35.572 8.206 1.00 51.32 H new ATOM 0 HA VAL A 825 4.635 -34.977 11.071 1.00 13.24 H new ATOM 0 HB VAL A 825 2.673 -36.595 11.270 1.00 22.44 H new ATOM 0 HG11 VAL A 825 1.055 -34.756 10.963 1.00 72.20 H new ATOM 0 HG12 VAL A 825 2.534 -34.212 11.790 1.00 72.20 H new ATOM 0 HG13 VAL A 825 2.285 -33.832 10.069 1.00 72.20 H new ATOM 0 HG21 VAL A 825 1.133 -36.619 9.340 1.00 2.32 H new ATOM 0 HG22 VAL A 825 2.369 -35.801 8.354 1.00 2.32 H new ATOM 0 HG23 VAL A 825 2.670 -37.440 8.978 1.00 2.32 H new ATOM 552 N ILE A 826 5.378 -37.288 11.732 1.00 24.12 N ATOM 553 CA ILE A 826 6.137 -38.484 12.057 1.00 35.33 C ATOM 554 C ILE A 826 5.183 -39.561 12.579 1.00 71.11 C ATOM 555 O ILE A 826 4.980 -39.684 13.786 1.00 54.51 O ATOM 556 CB ILE A 826 7.275 -38.151 13.023 1.00 2.03 C ATOM 557 CG1 ILE A 826 8.409 -37.419 12.303 1.00 50.25 C ATOM 558 CG2 ILE A 826 7.770 -39.408 13.742 1.00 41.20 C ATOM 559 CD1 ILE A 826 9.070 -36.391 13.223 1.00 51.52 C ATOM 0 H ILE A 826 5.061 -36.751 12.539 1.00 24.12 H new ATOM 0 HA ILE A 826 6.616 -38.886 11.164 1.00 35.33 H new ATOM 0 HB ILE A 826 6.888 -37.475 13.786 1.00 2.03 H new ATOM 0 HG12 ILE A 826 9.153 -38.139 11.963 1.00 50.25 H new ATOM 0 HG13 ILE A 826 8.019 -36.920 11.416 1.00 50.25 H new ATOM 0 HG21 ILE A 826 8.579 -39.143 14.423 1.00 41.20 H new ATOM 0 HG22 ILE A 826 6.950 -39.850 14.308 1.00 41.20 H new ATOM 0 HG23 ILE A 826 8.134 -40.127 13.008 1.00 41.20 H new ATOM 0 HD11 ILE A 826 9.873 -35.885 12.686 1.00 51.52 H new ATOM 0 HD12 ILE A 826 8.329 -35.658 13.542 1.00 51.52 H new ATOM 0 HD13 ILE A 826 9.480 -36.896 14.097 1.00 51.52 H new ATOM 571 N GLU A 827 4.623 -40.314 11.644 1.00 64.35 N ATOM 572 CA GLU A 827 3.696 -41.377 11.994 1.00 41.23 C ATOM 573 C GLU A 827 2.390 -40.786 12.529 1.00 60.41 C ATOM 574 O GLU A 827 1.723 -41.399 13.361 1.00 1.14 O ATOM 575 CB GLU A 827 4.320 -42.337 13.008 1.00 2.13 C ATOM 576 CG GLU A 827 5.741 -42.726 12.594 1.00 53.44 C ATOM 577 CD GLU A 827 5.755 -43.331 11.189 1.00 63.15 C ATOM 578 OE1 GLU A 827 5.978 -42.610 10.205 1.00 41.41 O ATOM 579 OE2 GLU A 827 5.526 -44.600 11.139 1.00 54.50 O ATOM 0 H GLU A 827 4.793 -40.209 10.644 1.00 64.35 H new ATOM 0 HA GLU A 827 3.472 -41.949 11.094 1.00 41.23 H new ATOM 0 HB2 GLU A 827 4.340 -41.869 13.992 1.00 2.13 H new ATOM 0 HB3 GLU A 827 3.704 -43.232 13.093 1.00 2.13 H new ATOM 0 HG2 GLU A 827 6.385 -41.847 12.622 1.00 53.44 H new ATOM 0 HG3 GLU A 827 6.148 -43.443 13.307 1.00 53.44 H new ATOM 587 N GLU A 828 2.064 -39.604 12.029 1.00 11.40 N ATOM 588 CA GLU A 828 0.849 -38.924 12.447 1.00 44.35 C ATOM 589 C GLU A 828 0.814 -38.788 13.970 1.00 2.21 C ATOM 590 O GLU A 828 -0.237 -38.952 14.587 1.00 21.44 O ATOM 591 CB GLU A 828 -0.392 -39.655 11.932 1.00 15.55 C ATOM 592 CG GLU A 828 -0.717 -39.241 10.496 1.00 44.15 C ATOM 593 CD GLU A 828 -2.162 -39.592 10.137 1.00 50.42 C ATOM 594 OE1 GLU A 828 -2.733 -40.531 10.711 1.00 0.42 O ATOM 595 OE2 GLU A 828 -2.694 -38.848 9.226 1.00 25.23 O ATOM 0 H GLU A 828 2.619 -39.099 11.338 1.00 11.40 H new ATOM 0 HA GLU A 828 0.847 -37.924 12.013 1.00 44.35 H new ATOM 0 HB2 GLU A 828 -0.228 -40.732 11.975 1.00 15.55 H new ATOM 0 HB3 GLU A 828 -1.242 -39.436 12.578 1.00 15.55 H new ATOM 0 HG2 GLU A 828 -0.560 -38.169 10.379 1.00 44.15 H new ATOM 0 HG3 GLU A 828 -0.036 -39.740 9.807 1.00 44.15 H new ATOM 603 N CYS A 829 1.976 -38.489 14.533 1.00 51.34 N ATOM 604 CA CYS A 829 2.091 -38.329 15.972 1.00 2.12 C ATOM 605 C CYS A 829 2.438 -36.868 16.267 1.00 21.21 C ATOM 606 O CYS A 829 1.939 -36.291 17.232 1.00 43.43 O ATOM 607 CB CYS A 829 3.121 -39.291 16.568 1.00 72.44 C ATOM 608 SG CYS A 829 2.397 -40.965 16.720 1.00 24.43 S ATOM 0 H CYS A 829 2.846 -38.353 14.018 1.00 51.34 H new ATOM 0 HA CYS A 829 1.141 -38.579 16.445 1.00 2.12 H new ATOM 0 HB2 CYS A 829 4.008 -39.325 15.935 1.00 72.44 H new ATOM 0 HB3 CYS A 829 3.441 -38.934 17.547 1.00 72.44 H new ATOM 0 HG CYS A 829 2.037 -41.390 15.546 1.00 24.43 H new ATOM 614 N HIS A 830 3.290 -36.313 15.418 1.00 5.24 N ATOM 615 CA HIS A 830 3.710 -34.931 15.576 1.00 51.51 C ATOM 616 C HIS A 830 3.650 -34.219 14.223 1.00 42.22 C ATOM 617 O HIS A 830 3.588 -34.866 13.179 1.00 64.32 O ATOM 618 CB HIS A 830 5.093 -34.853 16.226 1.00 34.11 C ATOM 619 CG HIS A 830 5.376 -35.970 17.202 1.00 72.31 C ATOM 620 ND1 HIS A 830 5.906 -37.188 16.814 1.00 64.22 N ATOM 621 CD2 HIS A 830 5.198 -36.041 18.552 1.00 14.44 C ATOM 622 CE1 HIS A 830 6.037 -37.950 17.890 1.00 15.31 C ATOM 623 NE2 HIS A 830 5.596 -37.237 18.967 1.00 42.15 N ATOM 0 H HIS A 830 3.701 -36.795 14.619 1.00 5.24 H new ATOM 0 HA HIS A 830 3.027 -34.415 16.250 1.00 51.51 H new ATOM 0 HB2 HIS A 830 5.852 -34.866 15.444 1.00 34.11 H new ATOM 0 HB3 HIS A 830 5.186 -33.899 16.744 1.00 34.11 H new ATOM 0 HD2 HIS A 830 4.800 -35.256 19.178 1.00 14.44 H new ATOM 0 HE1 HIS A 830 6.425 -38.958 17.911 1.00 15.31 H new ATOM 0 HE2 HIS A 830 5.576 -37.569 19.931 1.00 42.15 H new ATOM 631 N TYR A 831 3.671 -32.895 14.285 1.00 33.51 N ATOM 632 CA TYR A 831 3.620 -32.089 13.078 1.00 53.43 C ATOM 633 C TYR A 831 4.799 -31.116 13.018 1.00 1.32 C ATOM 634 O TYR A 831 4.846 -30.145 13.772 1.00 43.21 O ATOM 635 CB TYR A 831 2.318 -31.289 13.160 1.00 40.23 C ATOM 636 CG TYR A 831 1.118 -31.986 12.517 1.00 34.40 C ATOM 637 CD1 TYR A 831 0.877 -31.841 11.166 1.00 51.12 C ATOM 638 CD2 TYR A 831 0.275 -32.761 13.288 1.00 24.33 C ATOM 639 CE1 TYR A 831 -0.253 -32.497 10.561 1.00 61.42 C ATOM 640 CE2 TYR A 831 -0.854 -33.418 12.683 1.00 14.14 C ATOM 641 CZ TYR A 831 -1.063 -33.254 11.349 1.00 2.45 C ATOM 642 OH TYR A 831 -2.130 -33.874 10.778 1.00 1.31 O ATOM 0 H TYR A 831 3.723 -32.361 15.153 1.00 33.51 H new ATOM 0 HA TYR A 831 3.667 -32.722 12.192 1.00 53.43 H new ATOM 0 HB2 TYR A 831 2.091 -31.090 14.207 1.00 40.23 H new ATOM 0 HB3 TYR A 831 2.466 -30.323 12.677 1.00 40.23 H new ATOM 0 HD1 TYR A 831 1.536 -31.235 10.562 1.00 51.12 H new ATOM 0 HD2 TYR A 831 0.463 -32.874 14.346 1.00 24.33 H new ATOM 0 HE1 TYR A 831 -0.453 -32.390 9.505 1.00 61.42 H new ATOM 0 HE2 TYR A 831 -1.520 -34.028 13.275 1.00 14.14 H new ATOM 0 HH TYR A 831 -2.326 -34.702 11.264 1.00 1.31 H new ATOM 652 N THR A 832 5.723 -31.410 12.115 1.00 54.01 N ATOM 653 CA THR A 832 6.899 -30.573 11.947 1.00 32.41 C ATOM 654 C THR A 832 6.941 -29.990 10.533 1.00 12.15 C ATOM 655 O THR A 832 6.007 -30.174 9.754 1.00 43.00 O ATOM 656 CB THR A 832 8.130 -31.413 12.295 1.00 74.13 C ATOM 657 OG1 THR A 832 7.764 -32.083 13.498 1.00 4.23 O ATOM 658 CG2 THR A 832 9.330 -30.554 12.696 1.00 3.22 C ATOM 0 H THR A 832 5.681 -32.216 11.492 1.00 54.01 H new ATOM 0 HA THR A 832 6.873 -29.714 12.618 1.00 32.41 H new ATOM 0 HB THR A 832 8.399 -32.035 11.441 1.00 74.13 H new ATOM 0 HG1 THR A 832 8.130 -31.598 14.267 1.00 4.23 H new ATOM 0 HG21 THR A 832 10.176 -31.199 12.933 1.00 3.22 H new ATOM 0 HG22 THR A 832 9.597 -29.894 11.871 1.00 3.22 H new ATOM 0 HG23 THR A 832 9.074 -29.956 13.571 1.00 3.22 H new ATOM 666 N VAL A 833 8.033 -29.298 10.246 1.00 44.13 N ATOM 667 CA VAL A 833 8.209 -28.686 8.940 1.00 65.14 C ATOM 668 C VAL A 833 9.685 -28.757 8.543 1.00 45.21 C ATOM 669 O VAL A 833 10.550 -28.970 9.391 1.00 24.11 O ATOM 670 CB VAL A 833 7.662 -27.257 8.953 1.00 73.53 C ATOM 671 CG1 VAL A 833 8.352 -26.396 7.893 1.00 34.11 C ATOM 672 CG2 VAL A 833 6.144 -27.251 8.762 1.00 53.31 C ATOM 0 H VAL A 833 8.805 -29.147 10.895 1.00 44.13 H new ATOM 0 HA VAL A 833 7.642 -29.230 8.184 1.00 65.14 H new ATOM 0 HB VAL A 833 7.879 -26.823 9.929 1.00 73.53 H new ATOM 0 HG11 VAL A 833 7.945 -25.385 7.924 1.00 34.11 H new ATOM 0 HG12 VAL A 833 9.423 -26.362 8.093 1.00 34.11 H new ATOM 0 HG13 VAL A 833 8.181 -26.827 6.906 1.00 34.11 H new ATOM 0 HG21 VAL A 833 5.780 -26.224 8.775 1.00 53.31 H new ATOM 0 HG22 VAL A 833 5.896 -27.712 7.806 1.00 53.31 H new ATOM 0 HG23 VAL A 833 5.674 -27.813 9.569 1.00 53.31 H new ATOM 682 N LEU A 834 9.928 -28.574 7.253 1.00 1.43 N ATOM 683 CA LEU A 834 11.284 -28.614 6.734 1.00 45.11 C ATOM 684 C LEU A 834 11.569 -27.324 5.962 1.00 1.34 C ATOM 685 O LEU A 834 10.663 -26.528 5.721 1.00 10.45 O ATOM 686 CB LEU A 834 11.505 -29.884 5.910 1.00 23.33 C ATOM 687 CG LEU A 834 11.062 -31.194 6.566 1.00 51.04 C ATOM 688 CD1 LEU A 834 10.563 -32.190 5.517 1.00 30.11 C ATOM 689 CD2 LEU A 834 12.181 -31.782 7.428 1.00 14.31 C ATOM 0 H LEU A 834 9.208 -28.398 6.552 1.00 1.43 H new ATOM 0 HA LEU A 834 12.003 -28.662 7.552 1.00 45.11 H new ATOM 0 HB2 LEU A 834 10.974 -29.777 4.964 1.00 23.33 H new ATOM 0 HB3 LEU A 834 12.566 -29.960 5.673 1.00 23.33 H new ATOM 0 HG LEU A 834 10.225 -30.978 7.230 1.00 51.04 H new ATOM 0 HD11 LEU A 834 10.254 -33.112 6.009 1.00 30.11 H new ATOM 0 HD12 LEU A 834 9.715 -31.762 4.983 1.00 30.11 H new ATOM 0 HD13 LEU A 834 11.364 -32.406 4.810 1.00 30.11 H new ATOM 0 HD21 LEU A 834 11.840 -32.712 7.882 1.00 14.31 H new ATOM 0 HD22 LEU A 834 13.053 -31.981 6.806 1.00 14.31 H new ATOM 0 HD23 LEU A 834 12.448 -31.072 8.211 1.00 14.31 H new ATOM 701 N GLY A 835 12.831 -27.157 5.596 1.00 25.13 N ATOM 702 CA GLY A 835 13.247 -25.977 4.857 1.00 32.11 C ATOM 703 C GLY A 835 14.085 -25.046 5.736 1.00 61.42 C ATOM 704 O GLY A 835 13.549 -24.348 6.595 1.00 72.12 O ATOM 0 H GLY A 835 13.580 -27.820 5.798 1.00 25.13 H new ATOM 0 HA2 GLY A 835 13.826 -26.276 3.983 1.00 32.11 H new ATOM 0 HA3 GLY A 835 12.369 -25.445 4.491 1.00 32.11 H new ATOM 708 N ASP A 836 15.387 -25.067 5.490 1.00 11.35 N ATOM 709 CA ASP A 836 16.304 -24.233 6.249 1.00 65.43 C ATOM 710 C ASP A 836 15.784 -22.795 6.267 1.00 53.21 C ATOM 711 O ASP A 836 16.090 -22.032 7.182 1.00 53.33 O ATOM 712 CB ASP A 836 17.695 -24.225 5.611 1.00 3.43 C ATOM 713 CG ASP A 836 18.833 -23.814 6.548 1.00 42.41 C ATOM 714 OD1 ASP A 836 19.047 -22.620 6.808 1.00 34.11 O ATOM 715 OD2 ASP A 836 19.526 -24.791 7.025 1.00 24.23 O ATOM 0 H ASP A 836 15.828 -25.648 4.777 1.00 11.35 H new ATOM 0 HA ASP A 836 16.372 -24.638 7.259 1.00 65.43 H new ATOM 0 HB2 ASP A 836 17.906 -25.221 5.223 1.00 3.43 H new ATOM 0 HB3 ASP A 836 17.683 -23.546 4.758 1.00 3.43 H new ATOM 721 N ALA A 837 15.006 -22.468 5.246 1.00 74.14 N ATOM 722 CA ALA A 837 14.439 -21.135 5.133 1.00 44.32 C ATOM 723 C ALA A 837 13.758 -20.761 6.451 1.00 60.42 C ATOM 724 O ALA A 837 13.885 -19.632 6.922 1.00 62.15 O ATOM 725 CB ALA A 837 13.476 -21.088 3.945 1.00 43.32 C ATOM 0 H ALA A 837 14.755 -23.104 4.489 1.00 74.14 H new ATOM 0 HA ALA A 837 15.222 -20.400 4.947 1.00 44.32 H new ATOM 0 HB1 ALA A 837 13.051 -20.088 3.861 1.00 43.32 H new ATOM 0 HB2 ALA A 837 14.015 -21.331 3.030 1.00 43.32 H new ATOM 0 HB3 ALA A 837 12.675 -21.811 4.097 1.00 43.32 H new ATOM 731 N PHE A 838 13.050 -21.732 7.009 1.00 15.33 N ATOM 732 CA PHE A 838 12.348 -21.519 8.264 1.00 71.32 C ATOM 733 C PHE A 838 13.274 -21.760 9.458 1.00 70.13 C ATOM 734 O PHE A 838 13.018 -21.268 10.556 1.00 70.24 O ATOM 735 CB PHE A 838 11.201 -22.530 8.311 1.00 34.34 C ATOM 736 CG PHE A 838 10.452 -22.685 6.986 1.00 62.01 C ATOM 737 CD1 PHE A 838 9.618 -21.700 6.557 1.00 63.12 C ATOM 738 CD2 PHE A 838 10.621 -23.808 6.237 1.00 51.53 C ATOM 739 CE1 PHE A 838 8.924 -21.844 5.327 1.00 52.44 C ATOM 740 CE2 PHE A 838 9.926 -23.951 5.007 1.00 63.14 C ATOM 741 CZ PHE A 838 9.092 -22.966 4.577 1.00 25.14 C ATOM 0 H PHE A 838 12.947 -22.668 6.616 1.00 15.33 H new ATOM 0 HA PHE A 838 11.988 -20.492 8.320 1.00 71.32 H new ATOM 0 HB2 PHE A 838 11.598 -23.501 8.607 1.00 34.34 H new ATOM 0 HB3 PHE A 838 10.494 -22.226 9.083 1.00 34.34 H new ATOM 0 HD1 PHE A 838 9.484 -20.809 7.152 1.00 63.12 H new ATOM 0 HD2 PHE A 838 11.283 -24.590 6.578 1.00 51.53 H new ATOM 0 HE1 PHE A 838 8.262 -21.062 4.986 1.00 52.44 H new ATOM 0 HE2 PHE A 838 10.060 -24.843 4.412 1.00 63.14 H new ATOM 0 HZ PHE A 838 8.564 -23.075 3.641 1.00 25.14 H new ATOM 751 N LYS A 839 14.331 -22.517 9.203 1.00 41.15 N ATOM 752 CA LYS A 839 15.297 -22.829 10.243 1.00 53.15 C ATOM 753 C LYS A 839 15.863 -21.527 10.814 1.00 61.43 C ATOM 754 O LYS A 839 16.207 -21.460 11.993 1.00 74.51 O ATOM 755 CB LYS A 839 16.367 -23.784 9.711 1.00 70.32 C ATOM 756 CG LYS A 839 15.802 -25.194 9.529 1.00 74.34 C ATOM 757 CD LYS A 839 16.912 -26.191 9.189 1.00 10.31 C ATOM 758 CE LYS A 839 16.369 -27.354 8.356 1.00 3.41 C ATOM 759 NZ LYS A 839 17.467 -28.262 7.957 1.00 24.23 N ATOM 0 H LYS A 839 14.540 -22.924 8.291 1.00 41.15 H new ATOM 0 HA LYS A 839 14.814 -23.355 11.066 1.00 53.15 H new ATOM 0 HB2 LYS A 839 16.748 -23.415 8.759 1.00 70.32 H new ATOM 0 HB3 LYS A 839 17.210 -23.812 10.402 1.00 70.32 H new ATOM 0 HG2 LYS A 839 15.295 -25.507 10.442 1.00 74.34 H new ATOM 0 HG3 LYS A 839 15.056 -25.191 8.735 1.00 74.34 H new ATOM 0 HD2 LYS A 839 17.705 -25.684 8.639 1.00 10.31 H new ATOM 0 HD3 LYS A 839 17.356 -26.574 10.108 1.00 10.31 H new ATOM 0 HE2 LYS A 839 15.625 -27.905 8.931 1.00 3.41 H new ATOM 0 HE3 LYS A 839 15.866 -26.970 7.469 1.00 3.41 H new ATOM 0 HZ1 LYS A 839 17.328 -28.563 6.971 1.00 24.23 H new ATOM 0 HZ2 LYS A 839 18.377 -27.765 8.042 1.00 24.23 H new ATOM 0 HZ3 LYS A 839 17.469 -29.097 8.577 1.00 24.23 H new ATOM 772 N GLU A 840 15.943 -20.525 9.951 1.00 61.33 N ATOM 773 CA GLU A 840 16.462 -19.230 10.355 1.00 51.55 C ATOM 774 C GLU A 840 15.316 -18.305 10.771 1.00 60.21 C ATOM 775 O GLU A 840 15.543 -17.277 11.407 1.00 31.45 O ATOM 776 CB GLU A 840 17.295 -18.600 9.237 1.00 64.14 C ATOM 777 CG GLU A 840 16.562 -18.677 7.896 1.00 62.41 C ATOM 778 CD GLU A 840 17.164 -17.700 6.884 1.00 24.05 C ATOM 779 OE1 GLU A 840 16.550 -16.667 6.579 1.00 71.32 O ATOM 780 OE2 GLU A 840 18.314 -18.044 6.412 1.00 61.35 O ATOM 0 H GLU A 840 15.657 -20.584 8.974 1.00 61.33 H new ATOM 0 HA GLU A 840 17.117 -19.375 11.214 1.00 51.55 H new ATOM 0 HB2 GLU A 840 17.508 -17.559 9.480 1.00 64.14 H new ATOM 0 HB3 GLU A 840 18.254 -19.112 9.161 1.00 64.14 H new ATOM 0 HG2 GLU A 840 16.619 -19.693 7.504 1.00 62.41 H new ATOM 0 HG3 GLU A 840 15.506 -18.450 8.041 1.00 62.41 H new ATOM 788 N CYS A 841 14.110 -18.704 10.395 1.00 71.13 N ATOM 789 CA CYS A 841 12.928 -17.924 10.721 1.00 21.32 C ATOM 790 C CYS A 841 12.663 -18.059 12.222 1.00 2.10 C ATOM 791 O CYS A 841 11.996 -17.214 12.816 1.00 15.03 O ATOM 792 CB CYS A 841 11.719 -18.354 9.888 1.00 41.45 C ATOM 793 SG CYS A 841 10.432 -17.054 9.937 1.00 52.14 S ATOM 0 H CYS A 841 13.926 -19.557 9.868 1.00 71.13 H new ATOM 0 HA CYS A 841 13.102 -16.876 10.476 1.00 21.32 H new ATOM 0 HB2 CYS A 841 12.023 -18.537 8.858 1.00 41.45 H new ATOM 0 HB3 CYS A 841 11.316 -19.291 10.273 1.00 41.45 H new ATOM 0 HG CYS A 841 9.410 -17.428 9.225 1.00 52.14 H new ATOM 799 N PHE A 842 13.200 -19.128 12.792 1.00 44.32 N ATOM 800 CA PHE A 842 13.030 -19.384 14.212 1.00 44.30 C ATOM 801 C PHE A 842 14.380 -19.399 14.932 1.00 44.51 C ATOM 802 O PHE A 842 15.401 -19.029 14.353 1.00 52.11 O ATOM 803 CB PHE A 842 12.381 -20.763 14.343 1.00 13.42 C ATOM 804 CG PHE A 842 13.381 -21.908 14.517 1.00 53.41 C ATOM 805 CD1 PHE A 842 14.144 -22.309 13.466 1.00 43.05 C ATOM 806 CD2 PHE A 842 13.506 -22.524 15.723 1.00 71.02 C ATOM 807 CE1 PHE A 842 15.072 -23.372 13.627 1.00 44.52 C ATOM 808 CE2 PHE A 842 14.434 -23.587 15.884 1.00 51.40 C ATOM 809 CZ PHE A 842 15.198 -23.988 14.833 1.00 54.13 C ATOM 0 H PHE A 842 13.753 -19.827 12.296 1.00 44.32 H new ATOM 0 HA PHE A 842 12.418 -18.601 14.660 1.00 44.30 H new ATOM 0 HB2 PHE A 842 11.702 -20.754 15.196 1.00 13.42 H new ATOM 0 HB3 PHE A 842 11.776 -20.954 13.457 1.00 13.42 H new ATOM 0 HD1 PHE A 842 14.045 -21.819 12.509 1.00 43.05 H new ATOM 0 HD2 PHE A 842 12.900 -22.205 16.558 1.00 71.02 H new ATOM 0 HE1 PHE A 842 15.678 -23.691 12.792 1.00 44.52 H new ATOM 0 HE2 PHE A 842 14.533 -24.077 16.841 1.00 51.40 H new ATOM 0 HZ PHE A 842 15.905 -24.795 14.956 1.00 54.13 H new ATOM 819 N VAL A 843 14.342 -19.830 16.184 1.00 5.41 N ATOM 820 CA VAL A 843 15.550 -19.897 16.989 1.00 22.42 C ATOM 821 C VAL A 843 15.413 -21.027 18.012 1.00 3.22 C ATOM 822 O VAL A 843 14.360 -21.655 18.111 1.00 25.13 O ATOM 823 CB VAL A 843 15.827 -18.537 17.634 1.00 73.55 C ATOM 824 CG1 VAL A 843 15.669 -17.406 16.615 1.00 22.35 C ATOM 825 CG2 VAL A 843 14.923 -18.312 18.848 1.00 64.33 C ATOM 0 H VAL A 843 13.494 -20.136 16.661 1.00 5.41 H new ATOM 0 HA VAL A 843 16.413 -20.126 16.364 1.00 22.42 H new ATOM 0 HB VAL A 843 16.860 -18.534 17.981 1.00 73.55 H new ATOM 0 HG11 VAL A 843 15.871 -16.450 17.098 1.00 22.35 H new ATOM 0 HG12 VAL A 843 16.372 -17.554 15.795 1.00 22.35 H new ATOM 0 HG13 VAL A 843 14.651 -17.407 16.225 1.00 22.35 H new ATOM 0 HG21 VAL A 843 15.140 -17.339 19.288 1.00 64.33 H new ATOM 0 HG22 VAL A 843 13.879 -18.344 18.535 1.00 64.33 H new ATOM 0 HG23 VAL A 843 15.105 -19.093 19.587 1.00 64.33 H new ATOM 835 N SER A 844 16.493 -21.250 18.747 1.00 33.42 N ATOM 836 CA SER A 844 16.506 -22.293 19.759 1.00 23.20 C ATOM 837 C SER A 844 17.135 -21.763 21.049 1.00 45.42 C ATOM 838 O SER A 844 18.100 -21.000 21.005 1.00 15.14 O ATOM 839 CB SER A 844 17.264 -23.528 19.267 1.00 4.24 C ATOM 840 OG SER A 844 17.913 -24.216 20.334 1.00 51.32 O ATOM 0 H SER A 844 17.364 -20.727 18.662 1.00 33.42 H new ATOM 0 HA SER A 844 15.476 -22.588 19.959 1.00 23.20 H new ATOM 0 HB2 SER A 844 16.570 -24.205 18.768 1.00 4.24 H new ATOM 0 HB3 SER A 844 18.004 -23.228 18.526 1.00 4.24 H new ATOM 0 HG SER A 844 18.384 -24.999 19.980 1.00 51.32 H new ATOM 846 N ARG A 845 16.564 -22.187 22.166 1.00 23.33 N ATOM 847 CA ARG A 845 17.057 -21.764 23.466 1.00 21.52 C ATOM 848 C ARG A 845 17.191 -22.969 24.400 1.00 2.34 C ATOM 849 O ARG A 845 16.525 -23.985 24.209 1.00 40.22 O ATOM 850 CB ARG A 845 16.120 -20.736 24.103 1.00 40.04 C ATOM 851 CG ARG A 845 15.465 -19.857 23.035 1.00 1.33 C ATOM 852 CD ARG A 845 16.486 -18.908 22.404 1.00 64.52 C ATOM 853 NE ARG A 845 16.531 -17.637 23.159 1.00 1.35 N ATOM 854 CZ ARG A 845 15.494 -16.779 23.259 1.00 14.31 C ATOM 855 NH1 ARG A 845 14.319 -17.050 22.651 1.00 44.35 N ATOM 856 NH2 ARG A 845 15.645 -15.671 23.960 1.00 15.34 N ATOM 0 H ARG A 845 15.764 -22.819 22.198 1.00 23.33 H new ATOM 0 HA ARG A 845 18.034 -21.304 23.317 1.00 21.52 H new ATOM 0 HB2 ARG A 845 15.350 -21.248 24.680 1.00 40.04 H new ATOM 0 HB3 ARG A 845 16.679 -20.112 24.800 1.00 40.04 H new ATOM 0 HG2 ARG A 845 15.022 -20.486 22.263 1.00 1.33 H new ATOM 0 HG3 ARG A 845 14.654 -19.281 23.480 1.00 1.33 H new ATOM 0 HD2 ARG A 845 17.472 -19.373 22.399 1.00 64.52 H new ATOM 0 HD3 ARG A 845 16.220 -18.714 21.365 1.00 64.52 H new ATOM 0 HE ARG A 845 17.400 -17.394 23.634 1.00 1.35 H new ATOM 0 HH11 ARG A 845 14.210 -17.909 22.111 1.00 44.35 H new ATOM 0 HH12 ARG A 845 13.540 -16.396 22.732 1.00 44.35 H new ATOM 0 HH21 ARG A 845 16.536 -15.474 24.416 1.00 15.34 H new ATOM 0 HH22 ARG A 845 14.871 -15.012 24.045 1.00 15.34 H new ATOM 869 N PRO A 846 18.080 -22.811 25.418 1.00 41.05 N ATOM 870 CA PRO A 846 18.310 -23.873 26.382 1.00 62.11 C ATOM 871 C PRO A 846 17.146 -23.979 27.369 1.00 2.24 C ATOM 872 O PRO A 846 16.199 -24.728 27.139 1.00 35.44 O ATOM 873 CB PRO A 846 19.627 -23.518 27.052 1.00 3.40 C ATOM 874 CG PRO A 846 19.852 -22.040 26.773 1.00 73.43 C ATOM 875 CD PRO A 846 18.887 -21.622 25.675 1.00 12.35 C ATOM 0 HA PRO A 846 18.368 -24.857 25.918 1.00 62.11 H new ATOM 0 HB2 PRO A 846 19.584 -23.711 28.124 1.00 3.40 H new ATOM 0 HB3 PRO A 846 20.443 -24.120 26.652 1.00 3.40 H new ATOM 0 HG2 PRO A 846 19.683 -21.451 27.675 1.00 73.43 H new ATOM 0 HG3 PRO A 846 20.882 -21.862 26.464 1.00 73.43 H new ATOM 0 HD2 PRO A 846 18.267 -20.783 25.991 1.00 12.35 H new ATOM 0 HD3 PRO A 846 19.420 -21.304 24.779 1.00 12.35 H new ATOM 883 N HIS A 847 17.256 -23.217 28.448 1.00 51.23 N ATOM 884 CA HIS A 847 16.224 -23.215 29.471 1.00 62.20 C ATOM 885 C HIS A 847 16.169 -24.587 30.147 1.00 45.23 C ATOM 886 O HIS A 847 16.481 -25.602 29.526 1.00 53.23 O ATOM 887 CB HIS A 847 14.877 -22.789 28.884 1.00 62.34 C ATOM 888 CG HIS A 847 14.104 -21.828 29.754 1.00 2.52 C ATOM 889 ND1 HIS A 847 14.567 -20.561 30.067 1.00 62.32 N ATOM 890 CD2 HIS A 847 12.896 -21.960 30.373 1.00 10.42 C ATOM 891 CE1 HIS A 847 13.671 -19.967 30.840 1.00 35.45 C ATOM 892 NE2 HIS A 847 12.636 -20.836 31.030 1.00 52.34 N ATOM 0 H HIS A 847 18.044 -22.597 28.636 1.00 51.23 H new ATOM 0 HA HIS A 847 16.469 -22.480 30.238 1.00 62.20 H new ATOM 0 HB2 HIS A 847 15.046 -22.327 27.911 1.00 62.34 H new ATOM 0 HB3 HIS A 847 14.269 -23.678 28.713 1.00 62.34 H new ATOM 0 HD2 HIS A 847 12.259 -22.831 30.335 1.00 10.42 H new ATOM 0 HE1 HIS A 847 13.746 -18.970 31.248 1.00 35.45 H new ATOM 0 HE2 HIS A 847 11.800 -20.652 31.585 1.00 52.34 H new ATOM 900 N PRO A 848 15.761 -24.572 31.444 1.00 72.42 N ATOM 901 CA PRO A 848 15.661 -25.802 32.211 1.00 62.42 C ATOM 902 C PRO A 848 14.429 -26.609 31.795 1.00 24.35 C ATOM 903 O PRO A 848 13.828 -26.340 30.757 1.00 72.31 O ATOM 904 CB PRO A 848 15.618 -25.358 33.664 1.00 51.44 C ATOM 905 CG PRO A 848 15.227 -23.889 33.638 1.00 11.04 C ATOM 906 CD PRO A 848 15.384 -23.389 32.212 1.00 62.13 C ATOM 0 HA PRO A 848 16.502 -26.474 32.039 1.00 62.42 H new ATOM 0 HB2 PRO A 848 14.895 -25.945 34.231 1.00 51.44 H new ATOM 0 HB3 PRO A 848 16.587 -25.496 34.144 1.00 51.44 H new ATOM 0 HG2 PRO A 848 14.198 -23.762 33.976 1.00 11.04 H new ATOM 0 HG3 PRO A 848 15.858 -23.314 34.316 1.00 11.04 H new ATOM 0 HD2 PRO A 848 14.456 -22.955 31.840 1.00 62.13 H new ATOM 0 HD3 PRO A 848 16.148 -22.614 32.146 1.00 62.13 H new ATOM 914 N LYS A 849 14.091 -27.582 32.628 1.00 34.43 N ATOM 915 CA LYS A 849 12.941 -28.430 32.361 1.00 63.22 C ATOM 916 C LYS A 849 11.839 -28.123 33.377 1.00 60.24 C ATOM 917 O LYS A 849 11.958 -28.470 34.551 1.00 75.55 O ATOM 918 CB LYS A 849 13.357 -29.902 32.330 1.00 31.45 C ATOM 919 CG LYS A 849 14.386 -30.159 31.228 1.00 43.10 C ATOM 920 CD LYS A 849 14.694 -31.652 31.101 1.00 34.45 C ATOM 921 CE LYS A 849 15.757 -32.081 32.115 1.00 70.04 C ATOM 922 NZ LYS A 849 16.977 -31.257 31.965 1.00 23.11 N ATOM 0 H LYS A 849 14.593 -27.802 33.488 1.00 34.43 H new ATOM 0 HA LYS A 849 12.532 -28.217 31.373 1.00 63.22 H new ATOM 0 HB2 LYS A 849 13.775 -30.186 33.296 1.00 31.45 H new ATOM 0 HB3 LYS A 849 12.480 -30.528 32.166 1.00 31.45 H new ATOM 0 HG2 LYS A 849 14.009 -29.780 30.278 1.00 43.10 H new ATOM 0 HG3 LYS A 849 15.303 -29.612 31.448 1.00 43.10 H new ATOM 0 HD2 LYS A 849 13.783 -32.229 31.258 1.00 34.45 H new ATOM 0 HD3 LYS A 849 15.040 -31.871 30.091 1.00 34.45 H new ATOM 0 HE2 LYS A 849 15.365 -31.980 33.127 1.00 70.04 H new ATOM 0 HE3 LYS A 849 16.002 -33.133 31.971 1.00 70.04 H new ATOM 0 HZ1 LYS A 849 17.804 -31.799 32.287 1.00 23.11 H new ATOM 0 HZ2 LYS A 849 17.100 -30.998 30.965 1.00 23.11 H new ATOM 0 HZ3 LYS A 849 16.885 -30.393 32.537 1.00 23.11 H new ATOM 935 N PRO A 850 10.764 -27.458 32.875 1.00 61.22 N ATOM 936 CA PRO A 850 9.642 -27.100 33.725 1.00 34.52 C ATOM 937 C PRO A 850 8.780 -28.325 34.041 1.00 64.24 C ATOM 938 O PRO A 850 9.009 -29.009 35.037 1.00 62.52 O ATOM 939 CB PRO A 850 8.890 -26.028 32.954 1.00 74.33 C ATOM 940 CG PRO A 850 9.347 -26.156 31.510 1.00 52.34 C ATOM 941 CD PRO A 850 10.589 -27.031 31.490 1.00 43.13 C ATOM 0 HA PRO A 850 9.956 -26.725 34.699 1.00 34.52 H new ATOM 0 HB2 PRO A 850 7.813 -26.171 33.037 1.00 74.33 H new ATOM 0 HB3 PRO A 850 9.112 -25.036 33.347 1.00 74.33 H new ATOM 0 HG2 PRO A 850 8.560 -26.597 30.898 1.00 52.34 H new ATOM 0 HG3 PRO A 850 9.565 -25.174 31.090 1.00 52.34 H new ATOM 0 HD2 PRO A 850 10.461 -27.885 30.825 1.00 43.13 H new ATOM 0 HD3 PRO A 850 11.458 -26.477 31.134 1.00 43.13 H new ATOM 949 N LYS A 851 7.808 -28.564 33.173 1.00 30.31 N ATOM 950 CA LYS A 851 6.912 -29.695 33.347 1.00 55.35 C ATOM 951 C LYS A 851 7.696 -30.995 33.163 1.00 62.22 C ATOM 952 O LYS A 851 8.762 -31.000 32.549 1.00 40.22 O ATOM 953 CB LYS A 851 5.704 -29.568 32.416 1.00 72.42 C ATOM 954 CG LYS A 851 4.399 -29.828 33.172 1.00 63.40 C ATOM 955 CD LYS A 851 3.344 -30.441 32.250 1.00 73.45 C ATOM 956 CE LYS A 851 1.988 -30.534 32.953 1.00 23.41 C ATOM 957 NZ LYS A 851 2.084 -31.400 34.150 1.00 73.44 N ATOM 0 H LYS A 851 7.621 -27.994 32.348 1.00 30.31 H new ATOM 0 HA LYS A 851 6.507 -29.708 34.359 1.00 55.35 H new ATOM 0 HB2 LYS A 851 5.682 -28.570 31.977 1.00 72.42 H new ATOM 0 HB3 LYS A 851 5.799 -30.276 31.593 1.00 72.42 H new ATOM 0 HG2 LYS A 851 4.588 -30.498 34.011 1.00 63.40 H new ATOM 0 HG3 LYS A 851 4.024 -28.893 33.589 1.00 63.40 H new ATOM 0 HD2 LYS A 851 3.249 -29.837 31.348 1.00 73.45 H new ATOM 0 HD3 LYS A 851 3.664 -31.435 31.936 1.00 73.45 H new ATOM 0 HE2 LYS A 851 1.653 -29.538 33.243 1.00 23.41 H new ATOM 0 HE3 LYS A 851 1.242 -30.934 32.266 1.00 23.41 H new ATOM 0 HZ1 LYS A 851 1.184 -31.902 34.288 1.00 73.44 H new ATOM 0 HZ2 LYS A 851 2.850 -32.091 34.018 1.00 73.44 H new ATOM 0 HZ3 LYS A 851 2.286 -30.815 34.986 1.00 73.44 H new ATOM 970 N GLN A 852 7.139 -32.067 33.706 1.00 34.13 N ATOM 971 CA GLN A 852 7.773 -33.371 33.610 1.00 12.10 C ATOM 972 C GLN A 852 6.840 -34.365 32.916 1.00 72.12 C ATOM 973 O GLN A 852 7.254 -35.076 32.002 1.00 61.42 O ATOM 974 CB GLN A 852 8.189 -33.882 34.991 1.00 53.41 C ATOM 975 CG GLN A 852 9.217 -35.009 34.872 1.00 13.41 C ATOM 976 CD GLN A 852 9.398 -35.728 36.210 1.00 25.20 C ATOM 977 OE1 GLN A 852 8.984 -35.260 37.258 1.00 51.14 O ATOM 978 NE2 GLN A 852 10.040 -36.890 36.117 1.00 54.31 N ATOM 0 H GLN A 852 6.255 -32.059 34.214 1.00 34.13 H new ATOM 0 HA GLN A 852 8.677 -33.270 33.009 1.00 12.10 H new ATOM 0 HB2 GLN A 852 8.608 -33.063 35.575 1.00 53.41 H new ATOM 0 HB3 GLN A 852 7.312 -34.241 35.529 1.00 53.41 H new ATOM 0 HG2 GLN A 852 8.895 -35.722 34.113 1.00 13.41 H new ATOM 0 HG3 GLN A 852 10.172 -34.601 34.542 1.00 13.41 H new ATOM 0 HE21 GLN A 852 10.360 -37.224 35.208 1.00 54.31 H new ATOM 0 HE22 GLN A 852 10.212 -37.446 36.955 1.00 54.31 H new ATOM 987 N PHE A 853 5.598 -34.383 33.376 1.00 13.24 N ATOM 988 CA PHE A 853 4.603 -35.278 32.811 1.00 35.02 C ATOM 989 C PHE A 853 4.147 -34.792 31.434 1.00 63.24 C ATOM 990 O PHE A 853 3.415 -33.810 31.329 1.00 53.32 O ATOM 991 CB PHE A 853 3.404 -35.272 33.762 1.00 22.54 C ATOM 992 CG PHE A 853 2.158 -35.957 33.197 1.00 21.44 C ATOM 993 CD1 PHE A 853 2.033 -37.310 33.272 1.00 51.35 C ATOM 994 CD2 PHE A 853 1.176 -35.214 32.621 1.00 31.11 C ATOM 995 CE1 PHE A 853 0.876 -37.945 32.747 1.00 25.32 C ATOM 996 CE2 PHE A 853 0.019 -35.850 32.097 1.00 44.23 C ATOM 997 CZ PHE A 853 -0.106 -37.202 32.171 1.00 62.02 C ATOM 0 H PHE A 853 5.258 -33.792 34.134 1.00 13.24 H new ATOM 0 HA PHE A 853 5.025 -36.276 32.694 1.00 35.02 H new ATOM 0 HB2 PHE A 853 3.688 -35.766 34.691 1.00 22.54 H new ATOM 0 HB3 PHE A 853 3.157 -34.240 34.012 1.00 22.54 H new ATOM 0 HD1 PHE A 853 2.813 -37.900 33.730 1.00 51.35 H new ATOM 0 HD2 PHE A 853 1.276 -34.140 32.562 1.00 31.11 H new ATOM 0 HE1 PHE A 853 0.776 -39.019 32.805 1.00 25.32 H new ATOM 0 HE2 PHE A 853 -0.761 -35.260 31.640 1.00 44.23 H new ATOM 0 HZ PHE A 853 -0.985 -37.686 31.772 1.00 62.02 H new ATOM 1007 N SER A 854 4.600 -35.503 30.411 1.00 3.03 N ATOM 1008 CA SER A 854 4.249 -35.157 29.045 1.00 53.53 C ATOM 1009 C SER A 854 4.773 -36.224 28.083 1.00 62.53 C ATOM 1010 O SER A 854 5.820 -36.823 28.325 1.00 30.31 O ATOM 1011 CB SER A 854 4.803 -33.782 28.665 1.00 11.00 C ATOM 1012 OG SER A 854 4.041 -32.722 29.237 1.00 33.50 O ATOM 0 H SER A 854 5.207 -36.317 30.502 1.00 3.03 H new ATOM 0 HA SER A 854 3.162 -35.114 28.972 1.00 53.53 H new ATOM 0 HB2 SER A 854 5.838 -33.704 28.997 1.00 11.00 H new ATOM 0 HB3 SER A 854 4.808 -33.680 27.580 1.00 11.00 H new ATOM 0 HG SER A 854 3.426 -33.086 29.908 1.00 33.50 H new ATOM 1018 N SER A 855 4.022 -36.431 27.011 1.00 14.43 N ATOM 1019 CA SER A 855 4.397 -37.416 26.012 1.00 45.13 C ATOM 1020 C SER A 855 5.909 -37.372 25.776 1.00 33.34 C ATOM 1021 O SER A 855 6.622 -38.313 26.122 1.00 73.33 O ATOM 1022 CB SER A 855 3.649 -37.181 24.698 1.00 32.12 C ATOM 1023 OG SER A 855 3.675 -38.330 23.856 1.00 64.22 O ATOM 0 H SER A 855 3.155 -35.932 26.813 1.00 14.43 H new ATOM 0 HA SER A 855 4.121 -38.403 26.385 1.00 45.13 H new ATOM 0 HB2 SER A 855 2.615 -36.912 24.913 1.00 32.12 H new ATOM 0 HB3 SER A 855 4.095 -36.337 24.173 1.00 32.12 H new ATOM 0 HG SER A 855 3.186 -38.140 23.028 1.00 64.22 H new ATOM 1029 N PHE A 856 6.352 -36.270 25.190 1.00 25.13 N ATOM 1030 CA PHE A 856 7.766 -36.091 24.905 1.00 70.42 C ATOM 1031 C PHE A 856 8.417 -35.155 25.924 1.00 2.43 C ATOM 1032 O PHE A 856 7.727 -34.528 26.727 1.00 73.51 O ATOM 1033 CB PHE A 856 7.865 -35.461 23.514 1.00 2.14 C ATOM 1034 CG PHE A 856 7.832 -36.474 22.368 1.00 15.30 C ATOM 1035 CD1 PHE A 856 7.184 -37.659 22.527 1.00 62.22 C ATOM 1036 CD2 PHE A 856 8.449 -36.188 21.190 1.00 31.53 C ATOM 1037 CE1 PHE A 856 7.153 -38.599 21.463 1.00 70.10 C ATOM 1038 CE2 PHE A 856 8.418 -37.128 20.126 1.00 33.54 C ATOM 1039 CZ PHE A 856 7.770 -38.314 20.285 1.00 24.02 C ATOM 0 H PHE A 856 5.757 -35.492 24.905 1.00 25.13 H new ATOM 0 HA PHE A 856 8.280 -37.051 24.955 1.00 70.42 H new ATOM 0 HB2 PHE A 856 7.043 -34.756 23.386 1.00 2.14 H new ATOM 0 HB3 PHE A 856 8.790 -34.887 23.451 1.00 2.14 H new ATOM 0 HD1 PHE A 856 6.693 -37.885 23.462 1.00 62.22 H new ATOM 0 HD2 PHE A 856 8.962 -35.246 21.064 1.00 31.53 H new ATOM 0 HE1 PHE A 856 6.639 -39.541 21.589 1.00 70.10 H new ATOM 0 HE2 PHE A 856 8.909 -36.902 19.191 1.00 33.54 H new ATOM 0 HZ PHE A 856 7.746 -39.029 19.476 1.00 24.02 H new ATOM 1049 N GLU A 857 9.739 -35.088 25.859 1.00 32.24 N ATOM 1050 CA GLU A 857 10.491 -34.238 26.767 1.00 71.41 C ATOM 1051 C GLU A 857 11.548 -33.444 25.997 1.00 61.20 C ATOM 1052 O GLU A 857 12.651 -33.936 25.763 1.00 73.42 O ATOM 1053 CB GLU A 857 11.131 -35.062 27.886 1.00 62.33 C ATOM 1054 CG GLU A 857 11.550 -36.444 27.378 1.00 3.44 C ATOM 1055 CD GLU A 857 12.291 -37.226 28.465 1.00 13.54 C ATOM 1056 OE1 GLU A 857 11.746 -38.198 29.009 1.00 4.13 O ATOM 1057 OE2 GLU A 857 13.474 -36.791 28.739 1.00 21.13 O ATOM 0 H GLU A 857 10.309 -35.608 25.192 1.00 32.24 H new ATOM 0 HA GLU A 857 9.801 -33.533 27.230 1.00 71.41 H new ATOM 0 HB2 GLU A 857 12.001 -34.536 28.278 1.00 62.33 H new ATOM 0 HB3 GLU A 857 10.426 -35.172 28.710 1.00 62.33 H new ATOM 0 HG2 GLU A 857 10.669 -37.001 27.061 1.00 3.44 H new ATOM 0 HG3 GLU A 857 12.190 -36.335 26.503 1.00 3.44 H new ATOM 1065 N LYS A 858 11.174 -32.229 25.625 1.00 43.14 N ATOM 1066 CA LYS A 858 12.077 -31.362 24.886 1.00 54.10 C ATOM 1067 C LYS A 858 13.314 -31.076 25.739 1.00 64.13 C ATOM 1068 O LYS A 858 13.332 -31.372 26.932 1.00 21.34 O ATOM 1069 CB LYS A 858 11.346 -30.101 24.420 1.00 42.20 C ATOM 1070 CG LYS A 858 11.268 -29.066 25.544 1.00 41.41 C ATOM 1071 CD LYS A 858 10.154 -29.414 26.533 1.00 2.54 C ATOM 1072 CE LYS A 858 10.727 -30.049 27.802 1.00 14.31 C ATOM 1073 NZ LYS A 858 11.681 -29.127 28.458 1.00 65.34 N ATOM 0 H LYS A 858 10.259 -31.824 25.821 1.00 43.14 H new ATOM 0 HA LYS A 858 12.423 -31.856 23.978 1.00 54.10 H new ATOM 0 HB2 LYS A 858 11.863 -29.673 23.562 1.00 42.20 H new ATOM 0 HB3 LYS A 858 10.340 -30.360 24.089 1.00 42.20 H new ATOM 0 HG2 LYS A 858 12.223 -29.020 26.068 1.00 41.41 H new ATOM 0 HG3 LYS A 858 11.088 -28.078 25.121 1.00 41.41 H new ATOM 0 HD2 LYS A 858 9.598 -28.513 26.792 1.00 2.54 H new ATOM 0 HD3 LYS A 858 9.448 -30.101 26.065 1.00 2.54 H new ATOM 0 HE2 LYS A 858 9.918 -30.295 28.490 1.00 14.31 H new ATOM 0 HE3 LYS A 858 11.229 -30.984 27.553 1.00 14.31 H new ATOM 0 HZ1 LYS A 858 11.931 -29.496 29.398 1.00 65.34 H new ATOM 0 HZ2 LYS A 858 12.541 -29.046 27.878 1.00 65.34 H new ATOM 0 HZ3 LYS A 858 11.243 -28.189 28.560 1.00 65.34 H new ATOM 1086 N ARG A 859 14.319 -30.504 25.093 1.00 45.35 N ATOM 1087 CA ARG A 859 15.558 -30.175 25.777 1.00 44.53 C ATOM 1088 C ARG A 859 15.991 -28.748 25.434 1.00 41.50 C ATOM 1089 O ARG A 859 17.090 -28.325 25.792 1.00 73.55 O ATOM 1090 CB ARG A 859 16.676 -31.146 25.390 1.00 13.42 C ATOM 1091 CG ARG A 859 16.515 -32.483 26.115 1.00 32.24 C ATOM 1092 CD ARG A 859 17.142 -32.430 27.510 1.00 42.12 C ATOM 1093 NE ARG A 859 17.392 -33.802 28.005 1.00 0.02 N ATOM 1094 CZ ARG A 859 18.372 -34.607 27.543 1.00 43.21 C ATOM 1095 NH1 ARG A 859 19.205 -34.183 26.568 1.00 14.44 N ATOM 1096 NH2 ARG A 859 18.505 -35.815 28.058 1.00 53.00 N ATOM 0 H ARG A 859 14.301 -30.260 24.103 1.00 45.35 H new ATOM 0 HA ARG A 859 15.376 -30.256 26.849 1.00 44.53 H new ATOM 0 HB2 ARG A 859 16.664 -31.309 24.312 1.00 13.42 H new ATOM 0 HB3 ARG A 859 17.644 -30.709 25.636 1.00 13.42 H new ATOM 0 HG2 ARG A 859 15.457 -32.731 26.197 1.00 32.24 H new ATOM 0 HG3 ARG A 859 16.984 -33.276 25.532 1.00 32.24 H new ATOM 0 HD2 ARG A 859 18.077 -31.871 27.476 1.00 42.12 H new ATOM 0 HD3 ARG A 859 16.479 -31.902 28.196 1.00 42.12 H new ATOM 0 HE ARG A 859 16.785 -34.162 28.742 1.00 0.02 H new ATOM 0 HH11 ARG A 859 19.096 -33.248 26.175 1.00 14.44 H new ATOM 0 HH12 ARG A 859 19.943 -34.798 26.225 1.00 14.44 H new ATOM 0 HH21 ARG A 859 17.872 -36.128 28.794 1.00 53.00 H new ATOM 0 HH22 ARG A 859 19.241 -36.435 27.720 1.00 53.00 H new ATOM 1109 N ALA A 860 15.105 -28.044 24.745 1.00 13.21 N ATOM 1110 CA ALA A 860 15.381 -26.673 24.350 1.00 23.11 C ATOM 1111 C ALA A 860 14.088 -26.016 23.866 1.00 55.35 C ATOM 1112 O ALA A 860 13.308 -26.631 23.140 1.00 61.40 O ATOM 1113 CB ALA A 860 16.477 -26.661 23.282 1.00 1.55 C ATOM 0 H ALA A 860 14.195 -28.398 24.450 1.00 13.21 H new ATOM 0 HA ALA A 860 15.746 -26.095 25.199 1.00 23.11 H new ATOM 0 HB1 ALA A 860 16.685 -25.633 22.985 1.00 1.55 H new ATOM 0 HB2 ALA A 860 17.383 -27.112 23.686 1.00 1.55 H new ATOM 0 HB3 ALA A 860 16.145 -27.229 22.413 1.00 1.55 H new ATOM 1119 N LYS A 861 13.899 -24.774 24.286 1.00 10.42 N ATOM 1120 CA LYS A 861 12.713 -24.026 23.904 1.00 1.12 C ATOM 1121 C LYS A 861 13.019 -23.194 22.657 1.00 65.40 C ATOM 1122 O LYS A 861 13.902 -22.338 22.679 1.00 64.32 O ATOM 1123 CB LYS A 861 12.198 -23.198 25.084 1.00 63.53 C ATOM 1124 CG LYS A 861 11.414 -24.072 26.065 1.00 1.23 C ATOM 1125 CD LYS A 861 12.236 -25.289 26.494 1.00 5.54 C ATOM 1126 CE LYS A 861 11.813 -25.775 27.882 1.00 2.40 C ATOM 1127 NZ LYS A 861 12.859 -26.643 28.468 1.00 13.02 N ATOM 0 H LYS A 861 14.548 -24.266 24.888 1.00 10.42 H new ATOM 0 HA LYS A 861 11.902 -24.706 23.643 1.00 1.12 H new ATOM 0 HB2 LYS A 861 13.037 -22.730 25.599 1.00 63.53 H new ATOM 0 HB3 LYS A 861 11.560 -22.394 24.718 1.00 63.53 H new ATOM 0 HG2 LYS A 861 11.141 -23.485 26.942 1.00 1.23 H new ATOM 0 HG3 LYS A 861 10.485 -24.402 25.601 1.00 1.23 H new ATOM 0 HD2 LYS A 861 12.108 -26.093 25.769 1.00 5.54 H new ATOM 0 HD3 LYS A 861 13.295 -25.032 26.502 1.00 5.54 H new ATOM 0 HE2 LYS A 861 11.634 -24.920 28.534 1.00 2.40 H new ATOM 0 HE3 LYS A 861 10.874 -26.324 27.811 1.00 2.40 H new ATOM 0 HZ1 LYS A 861 12.465 -27.163 29.278 1.00 13.02 H new ATOM 0 HZ2 LYS A 861 13.191 -27.319 27.751 1.00 13.02 H new ATOM 0 HZ3 LYS A 861 13.657 -26.058 28.788 1.00 13.02 H new ATOM 1140 N ILE A 862 12.273 -23.476 21.599 1.00 11.32 N ATOM 1141 CA ILE A 862 12.454 -22.764 20.345 1.00 33.41 C ATOM 1142 C ILE A 862 11.410 -21.651 20.240 1.00 14.02 C ATOM 1143 O ILE A 862 10.307 -21.777 20.771 1.00 4.34 O ATOM 1144 CB ILE A 862 12.432 -23.741 19.167 1.00 11.14 C ATOM 1145 CG1 ILE A 862 11.000 -24.165 18.833 1.00 23.45 C ATOM 1146 CG2 ILE A 862 13.339 -24.944 19.436 1.00 53.24 C ATOM 1147 CD1 ILE A 862 10.389 -23.246 17.775 1.00 54.42 C ATOM 0 H ILE A 862 11.542 -24.187 21.584 1.00 11.32 H new ATOM 0 HA ILE A 862 13.433 -22.286 20.316 1.00 33.41 H new ATOM 0 HB ILE A 862 12.828 -23.229 18.290 1.00 11.14 H new ATOM 0 HG12 ILE A 862 10.996 -25.194 18.472 1.00 23.45 H new ATOM 0 HG13 ILE A 862 10.390 -24.142 19.736 1.00 23.45 H new ATOM 0 HG21 ILE A 862 13.305 -25.623 18.584 1.00 53.24 H new ATOM 0 HG22 ILE A 862 14.363 -24.601 19.587 1.00 53.24 H new ATOM 0 HG23 ILE A 862 12.996 -25.466 20.329 1.00 53.24 H new ATOM 0 HD11 ILE A 862 9.371 -23.569 17.556 1.00 54.42 H new ATOM 0 HD12 ILE A 862 10.372 -22.222 18.148 1.00 54.42 H new ATOM 0 HD13 ILE A 862 10.988 -23.290 16.865 1.00 54.42 H new ATOM 1159 N PHE A 863 11.794 -20.586 19.551 1.00 33.44 N ATOM 1160 CA PHE A 863 10.904 -19.452 19.370 1.00 5.40 C ATOM 1161 C PHE A 863 11.111 -18.807 17.998 1.00 71.02 C ATOM 1162 O PHE A 863 12.001 -19.206 17.248 1.00 0.33 O ATOM 1163 CB PHE A 863 11.253 -18.432 20.457 1.00 72.34 C ATOM 1164 CG PHE A 863 11.253 -19.009 21.874 1.00 74.02 C ATOM 1165 CD1 PHE A 863 12.376 -19.593 22.371 1.00 50.34 C ATOM 1166 CD2 PHE A 863 10.129 -18.938 22.637 1.00 51.13 C ATOM 1167 CE1 PHE A 863 12.376 -20.128 23.686 1.00 52.11 C ATOM 1168 CE2 PHE A 863 10.129 -19.473 23.952 1.00 73.01 C ATOM 1169 CZ PHE A 863 11.252 -20.057 24.449 1.00 41.32 C ATOM 0 H PHE A 863 12.709 -20.485 19.112 1.00 33.44 H new ATOM 0 HA PHE A 863 9.866 -19.779 19.436 1.00 5.40 H new ATOM 0 HB2 PHE A 863 12.237 -18.014 20.246 1.00 72.34 H new ATOM 0 HB3 PHE A 863 10.540 -17.609 20.411 1.00 72.34 H new ATOM 0 HD1 PHE A 863 13.268 -19.650 21.765 1.00 50.34 H new ATOM 0 HD2 PHE A 863 9.237 -18.475 22.242 1.00 51.13 H new ATOM 0 HE1 PHE A 863 13.268 -20.591 24.081 1.00 52.11 H new ATOM 0 HE2 PHE A 863 9.237 -19.416 24.558 1.00 73.01 H new ATOM 0 HZ PHE A 863 11.252 -20.464 25.449 1.00 41.32 H new ATOM 1179 N CYS A 864 10.273 -17.822 17.710 1.00 3.54 N ATOM 1180 CA CYS A 864 10.353 -17.118 16.442 1.00 53.15 C ATOM 1181 C CYS A 864 11.573 -16.196 16.479 1.00 12.42 C ATOM 1182 O CYS A 864 11.846 -15.563 17.498 1.00 23.54 O ATOM 1183 CB CYS A 864 9.065 -16.349 16.140 1.00 50.14 C ATOM 1184 SG CYS A 864 8.988 -14.832 17.161 1.00 71.15 S ATOM 0 H CYS A 864 9.535 -17.495 18.334 1.00 3.54 H new ATOM 0 HA CYS A 864 10.468 -17.837 15.631 1.00 53.15 H new ATOM 0 HB2 CYS A 864 9.027 -16.088 15.082 1.00 50.14 H new ATOM 0 HB3 CYS A 864 8.199 -16.979 16.344 1.00 50.14 H new ATOM 0 HG CYS A 864 10.164 -14.581 17.655 1.00 71.15 H new ATOM 1190 N ALA A 865 12.274 -16.148 15.356 1.00 55.32 N ATOM 1191 CA ALA A 865 13.458 -15.313 15.248 1.00 61.24 C ATOM 1192 C ALA A 865 13.035 -13.847 15.134 1.00 62.24 C ATOM 1193 O ALA A 865 13.862 -12.947 15.266 1.00 4.33 O ATOM 1194 CB ALA A 865 14.299 -15.772 14.054 1.00 13.14 C ATOM 0 H ALA A 865 12.045 -16.674 14.513 1.00 55.32 H new ATOM 0 HA ALA A 865 14.078 -15.409 16.140 1.00 61.24 H new ATOM 0 HB1 ALA A 865 15.187 -15.146 13.973 1.00 13.14 H new ATOM 0 HB2 ALA A 865 14.599 -16.810 14.198 1.00 13.14 H new ATOM 0 HB3 ALA A 865 13.710 -15.687 13.140 1.00 13.14 H new ATOM 1200 N ARG A 866 11.748 -13.653 14.889 1.00 74.30 N ATOM 1201 CA ARG A 866 11.205 -12.312 14.756 1.00 73.13 C ATOM 1202 C ARG A 866 11.588 -11.462 15.968 1.00 13.54 C ATOM 1203 O ARG A 866 12.360 -11.900 16.820 1.00 53.03 O ATOM 1204 CB ARG A 866 9.681 -12.345 14.625 1.00 33.23 C ATOM 1205 CG ARG A 866 9.252 -13.182 13.418 1.00 13.03 C ATOM 1206 CD ARG A 866 9.070 -12.303 12.179 1.00 75.50 C ATOM 1207 NE ARG A 866 8.213 -11.141 12.504 1.00 73.31 N ATOM 1208 CZ ARG A 866 8.197 -9.992 11.797 1.00 54.45 C ATOM 1209 NH1 ARG A 866 8.992 -9.840 10.716 1.00 23.54 N ATOM 1210 NH2 ARG A 866 7.391 -9.017 12.177 1.00 63.41 N ATOM 0 H ARG A 866 11.065 -14.402 14.779 1.00 74.30 H new ATOM 0 HA ARG A 866 11.626 -11.872 13.852 1.00 73.13 H new ATOM 0 HB2 ARG A 866 9.243 -12.759 15.533 1.00 33.23 H new ATOM 0 HB3 ARG A 866 9.299 -11.329 14.522 1.00 33.23 H new ATOM 0 HG2 ARG A 866 10.001 -13.949 13.218 1.00 13.03 H new ATOM 0 HG3 ARG A 866 8.319 -13.699 13.642 1.00 13.03 H new ATOM 0 HD2 ARG A 866 10.041 -11.960 11.820 1.00 75.50 H new ATOM 0 HD3 ARG A 866 8.620 -12.884 11.374 1.00 75.50 H new ATOM 0 HE ARG A 866 7.596 -11.213 13.313 1.00 73.31 H new ATOM 0 HH11 ARG A 866 9.611 -10.597 10.428 1.00 23.54 H new ATOM 0 HH12 ARG A 866 8.973 -8.968 10.188 1.00 23.54 H new ATOM 0 HH21 ARG A 866 6.793 -9.139 12.994 1.00 63.41 H new ATOM 0 HH22 ARG A 866 7.367 -8.142 11.653 1.00 63.41 H new ATOM 1223 N GLN A 867 11.030 -10.260 16.008 1.00 21.35 N ATOM 1224 CA GLN A 867 11.304 -9.344 17.103 1.00 75.41 C ATOM 1225 C GLN A 867 10.734 -9.896 18.411 1.00 11.15 C ATOM 1226 O GLN A 867 11.386 -9.832 19.452 1.00 24.02 O ATOM 1227 CB GLN A 867 10.744 -7.952 16.805 1.00 1.12 C ATOM 1228 CG GLN A 867 11.659 -7.187 15.846 1.00 13.15 C ATOM 1229 CD GLN A 867 10.947 -5.960 15.271 1.00 23.54 C ATOM 1230 OE1 GLN A 867 9.776 -5.720 15.514 1.00 40.23 O ATOM 1231 NE2 GLN A 867 11.718 -5.201 14.498 1.00 2.13 N ATOM 0 H GLN A 867 10.390 -9.900 15.300 1.00 21.35 H new ATOM 0 HA GLN A 867 12.384 -9.250 17.211 1.00 75.41 H new ATOM 0 HB2 GLN A 867 9.749 -8.042 16.370 1.00 1.12 H new ATOM 0 HB3 GLN A 867 10.636 -7.393 17.734 1.00 1.12 H new ATOM 0 HG2 GLN A 867 12.562 -6.875 16.370 1.00 13.15 H new ATOM 0 HG3 GLN A 867 11.972 -7.844 15.034 1.00 13.15 H new ATOM 0 HE21 GLN A 867 12.691 -5.461 14.336 1.00 2.13 H new ATOM 0 HE22 GLN A 867 11.336 -4.359 14.067 1.00 2.13 H new ATOM 1240 N ASN A 868 9.523 -10.425 18.316 1.00 0.02 N ATOM 1241 CA ASN A 868 8.858 -10.987 19.479 1.00 23.25 C ATOM 1242 C ASN A 868 9.854 -11.840 20.268 1.00 2.11 C ATOM 1243 O ASN A 868 10.681 -12.537 19.682 1.00 73.14 O ATOM 1244 CB ASN A 868 7.691 -11.885 19.066 1.00 35.12 C ATOM 1245 CG ASN A 868 6.581 -11.069 18.399 1.00 20.44 C ATOM 1246 OD1 ASN A 868 6.284 -11.221 17.226 1.00 54.42 O ATOM 1247 ND2 ASN A 868 5.987 -10.199 19.211 1.00 44.22 N ATOM 0 H ASN A 868 8.985 -10.476 17.451 1.00 0.02 H new ATOM 0 HA ASN A 868 8.482 -10.162 20.084 1.00 23.25 H new ATOM 0 HB2 ASN A 868 8.045 -12.654 18.379 1.00 35.12 H new ATOM 0 HB3 ASN A 868 7.294 -12.398 19.942 1.00 35.12 H new ATOM 0 HD21 ASN A 868 5.233 -9.608 18.861 1.00 44.22 H new ATOM 0 HD22 ASN A 868 6.286 -10.123 20.183 1.00 44.22 H new ATOM 1254 N CYS A 869 9.743 -11.756 21.586 1.00 73.34 N ATOM 1255 CA CYS A 869 10.623 -12.512 22.461 1.00 42.34 C ATOM 1256 C CYS A 869 9.794 -13.590 23.161 1.00 24.03 C ATOM 1257 O CYS A 869 10.276 -14.699 23.387 1.00 2.05 O ATOM 1258 CB CYS A 869 11.341 -11.604 23.461 1.00 4.30 C ATOM 1259 SG CYS A 869 12.651 -10.649 22.611 1.00 22.14 S ATOM 0 H CYS A 869 9.057 -11.176 22.069 1.00 73.34 H new ATOM 0 HA CYS A 869 11.408 -12.985 21.872 1.00 42.34 H new ATOM 0 HB2 CYS A 869 10.627 -10.924 23.925 1.00 4.30 H new ATOM 0 HB3 CYS A 869 11.777 -12.203 24.261 1.00 4.30 H new ATOM 0 HG CYS A 869 12.235 -10.296 21.431 1.00 22.14 H new ATOM 1265 N SER A 870 8.562 -13.227 23.486 1.00 42.25 N ATOM 1266 CA SER A 870 7.662 -14.150 24.156 1.00 50.40 C ATOM 1267 C SER A 870 6.807 -14.889 23.125 1.00 50.33 C ATOM 1268 O SER A 870 5.645 -15.198 23.384 1.00 60.44 O ATOM 1269 CB SER A 870 6.769 -13.417 25.159 1.00 54.43 C ATOM 1270 OG SER A 870 6.196 -14.306 26.113 1.00 34.40 O ATOM 0 H SER A 870 8.166 -12.306 23.298 1.00 42.25 H new ATOM 0 HA SER A 870 8.262 -14.874 24.706 1.00 50.40 H new ATOM 0 HB2 SER A 870 7.354 -12.657 25.677 1.00 54.43 H new ATOM 0 HB3 SER A 870 5.974 -12.898 24.624 1.00 54.43 H new ATOM 0 HG SER A 870 5.747 -15.042 25.646 1.00 34.40 H new ATOM 1276 N HIS A 871 7.415 -15.150 21.977 1.00 23.01 N ATOM 1277 CA HIS A 871 6.724 -15.847 20.906 1.00 44.05 C ATOM 1278 C HIS A 871 7.405 -17.192 20.646 1.00 63.34 C ATOM 1279 O HIS A 871 8.416 -17.256 19.947 1.00 74.11 O ATOM 1280 CB HIS A 871 6.642 -14.972 19.653 1.00 61.20 C ATOM 1281 CG HIS A 871 6.036 -15.667 18.457 1.00 21.42 C ATOM 1282 ND1 HIS A 871 5.053 -15.090 17.673 1.00 14.12 N ATOM 1283 CD2 HIS A 871 6.285 -16.896 17.920 1.00 61.03 C ATOM 1284 CE1 HIS A 871 4.731 -15.942 16.711 1.00 51.11 C ATOM 1285 NE2 HIS A 871 5.495 -17.061 16.866 1.00 44.23 N ATOM 0 H HIS A 871 8.379 -14.891 21.765 1.00 23.01 H new ATOM 0 HA HIS A 871 5.696 -16.051 21.204 1.00 44.05 H new ATOM 0 HB2 HIS A 871 6.053 -14.083 19.881 1.00 61.20 H new ATOM 0 HB3 HIS A 871 7.645 -14.632 19.393 1.00 61.20 H new ATOM 0 HD2 HIS A 871 7.003 -17.613 18.290 1.00 61.03 H new ATOM 0 HE1 HIS A 871 3.993 -15.779 15.939 1.00 51.11 H new ATOM 0 HE2 HIS A 871 5.464 -17.888 16.270 1.00 44.23 H new ATOM 1293 N ASP A 872 6.824 -18.234 21.222 1.00 64.20 N ATOM 1294 CA ASP A 872 7.362 -19.574 21.062 1.00 63.54 C ATOM 1295 C ASP A 872 6.497 -20.351 20.067 1.00 33.25 C ATOM 1296 O ASP A 872 5.270 -20.324 20.153 1.00 11.24 O ATOM 1297 CB ASP A 872 7.354 -20.334 22.390 1.00 40.13 C ATOM 1298 CG ASP A 872 8.087 -21.677 22.371 1.00 35.02 C ATOM 1299 OD1 ASP A 872 8.720 -22.072 23.361 1.00 65.42 O ATOM 1300 OD2 ASP A 872 7.987 -22.337 21.268 1.00 75.35 O ATOM 0 H ASP A 872 5.986 -18.177 21.800 1.00 64.20 H new ATOM 0 HA ASP A 872 8.388 -19.485 20.705 1.00 63.54 H new ATOM 0 HB2 ASP A 872 7.804 -19.702 23.156 1.00 40.13 H new ATOM 0 HB3 ASP A 872 6.319 -20.506 22.687 1.00 40.13 H new ATOM 1306 N TRP A 873 7.170 -21.025 19.147 1.00 75.54 N ATOM 1307 CA TRP A 873 6.477 -21.808 18.137 1.00 21.42 C ATOM 1308 C TRP A 873 6.132 -23.168 18.748 1.00 64.32 C ATOM 1309 O TRP A 873 4.994 -23.624 18.654 1.00 32.21 O ATOM 1310 CB TRP A 873 7.314 -21.921 16.861 1.00 11.23 C ATOM 1311 CG TRP A 873 7.221 -20.698 15.947 1.00 42.15 C ATOM 1312 CD1 TRP A 873 6.760 -19.476 16.247 1.00 70.13 C ATOM 1313 CD2 TRP A 873 7.621 -20.628 14.561 1.00 12.15 C ATOM 1314 NE1 TRP A 873 6.833 -18.627 15.161 1.00 34.20 N ATOM 1315 CE2 TRP A 873 7.373 -19.350 14.104 1.00 52.03 C ATOM 1316 CE3 TRP A 873 8.174 -21.612 13.723 1.00 33.03 C ATOM 1317 CZ2 TRP A 873 7.646 -18.938 12.794 1.00 61.42 C ATOM 1318 CZ3 TRP A 873 8.441 -21.185 12.417 1.00 0.20 C ATOM 1319 CH2 TRP A 873 8.197 -19.902 11.941 1.00 61.03 C ATOM 0 H TRP A 873 8.188 -21.046 19.079 1.00 75.54 H new ATOM 0 HA TRP A 873 5.552 -21.317 17.836 1.00 21.42 H new ATOM 0 HB2 TRP A 873 8.357 -22.078 17.135 1.00 11.23 H new ATOM 0 HB3 TRP A 873 6.994 -22.802 16.305 1.00 11.23 H new ATOM 0 HD1 TRP A 873 6.379 -19.191 17.217 1.00 70.13 H new ATOM 0 HE1 TRP A 873 6.544 -17.649 15.138 1.00 34.20 H new ATOM 0 HE3 TRP A 873 8.377 -22.618 14.060 1.00 33.03 H new ATOM 0 HZ2 TRP A 873 7.443 -17.931 12.460 1.00 61.42 H new ATOM 0 HZ3 TRP A 873 8.866 -21.903 11.731 1.00 0.20 H new ATOM 0 HH2 TRP A 873 8.431 -19.650 10.917 1.00 61.03 H new ATOM 1330 N GLY A 874 7.137 -23.778 19.360 1.00 71.12 N ATOM 1331 CA GLY A 874 6.954 -25.077 19.986 1.00 44.44 C ATOM 1332 C GLY A 874 8.109 -25.393 20.938 1.00 30.34 C ATOM 1333 O GLY A 874 8.357 -24.651 21.887 1.00 12.14 O ATOM 0 H GLY A 874 8.080 -23.397 19.436 1.00 71.12 H new ATOM 0 HA2 GLY A 874 6.012 -25.091 20.534 1.00 44.44 H new ATOM 0 HA3 GLY A 874 6.888 -25.849 19.219 1.00 44.44 H new ATOM 1337 N ILE A 875 8.784 -26.497 20.652 1.00 4.44 N ATOM 1338 CA ILE A 875 9.907 -26.921 21.472 1.00 51.51 C ATOM 1339 C ILE A 875 10.728 -27.960 20.706 1.00 1.21 C ATOM 1340 O ILE A 875 10.174 -28.775 19.970 1.00 13.14 O ATOM 1341 CB ILE A 875 9.419 -27.407 22.838 1.00 22.20 C ATOM 1342 CG1 ILE A 875 8.077 -28.132 22.715 1.00 41.50 C ATOM 1343 CG2 ILE A 875 9.358 -26.254 23.841 1.00 1.52 C ATOM 1344 CD1 ILE A 875 8.179 -29.313 21.749 1.00 75.44 C ATOM 0 H ILE A 875 8.575 -27.111 19.864 1.00 4.44 H new ATOM 0 HA ILE A 875 10.569 -26.080 21.677 1.00 51.51 H new ATOM 0 HB ILE A 875 10.141 -28.129 23.221 1.00 22.20 H new ATOM 0 HG12 ILE A 875 7.760 -28.486 23.696 1.00 41.50 H new ATOM 0 HG13 ILE A 875 7.314 -27.436 22.365 1.00 41.50 H new ATOM 0 HG21 ILE A 875 9.008 -26.627 24.803 1.00 1.52 H new ATOM 0 HG22 ILE A 875 10.352 -25.821 23.959 1.00 1.52 H new ATOM 0 HG23 ILE A 875 8.671 -25.491 23.476 1.00 1.52 H new ATOM 0 HD11 ILE A 875 7.212 -29.811 21.680 1.00 75.44 H new ATOM 0 HD12 ILE A 875 8.473 -28.952 20.763 1.00 75.44 H new ATOM 0 HD13 ILE A 875 8.925 -30.019 22.115 1.00 75.44 H new ATOM 1356 N HIS A 876 12.036 -27.897 20.905 1.00 25.13 N ATOM 1357 CA HIS A 876 12.940 -28.823 20.243 1.00 54.43 C ATOM 1358 C HIS A 876 12.975 -30.145 21.012 1.00 2.52 C ATOM 1359 O HIS A 876 13.539 -30.217 22.103 1.00 65.33 O ATOM 1360 CB HIS A 876 14.326 -28.199 20.071 1.00 61.24 C ATOM 1361 CG HIS A 876 15.114 -28.764 18.913 1.00 50.13 C ATOM 1362 ND1 HIS A 876 15.327 -28.063 17.738 1.00 22.33 N ATOM 1363 CD2 HIS A 876 15.738 -29.967 18.762 1.00 73.53 C ATOM 1364 CE1 HIS A 876 16.047 -28.821 16.924 1.00 0.01 C ATOM 1365 NE2 HIS A 876 16.300 -30.001 17.560 1.00 50.11 N ATOM 0 H HIS A 876 12.492 -27.219 21.515 1.00 25.13 H new ATOM 0 HA HIS A 876 12.575 -29.038 19.239 1.00 54.43 H new ATOM 0 HB2 HIS A 876 14.214 -27.124 19.931 1.00 61.24 H new ATOM 0 HB3 HIS A 876 14.895 -28.344 20.989 1.00 61.24 H new ATOM 0 HD2 HIS A 876 15.770 -30.758 19.496 1.00 73.53 H new ATOM 0 HE1 HIS A 876 16.376 -28.552 15.931 1.00 0.01 H new ATOM 0 HE2 HIS A 876 16.833 -30.781 17.175 1.00 50.11 H new ATOM 1373 N VAL A 877 12.365 -31.157 20.414 1.00 62.12 N ATOM 1374 CA VAL A 877 12.320 -32.473 21.029 1.00 11.41 C ATOM 1375 C VAL A 877 13.291 -33.405 20.302 1.00 4.42 C ATOM 1376 O VAL A 877 13.912 -33.012 19.316 1.00 65.54 O ATOM 1377 CB VAL A 877 10.882 -32.997 21.038 1.00 4.24 C ATOM 1378 CG1 VAL A 877 9.997 -32.152 21.956 1.00 13.13 C ATOM 1379 CG2 VAL A 877 10.309 -33.051 19.621 1.00 44.42 C ATOM 0 H VAL A 877 11.898 -31.093 19.510 1.00 62.12 H new ATOM 0 HA VAL A 877 12.639 -32.419 22.070 1.00 11.41 H new ATOM 0 HB VAL A 877 10.898 -34.014 21.431 1.00 4.24 H new ATOM 0 HG11 VAL A 877 8.981 -32.545 21.944 1.00 13.13 H new ATOM 0 HG12 VAL A 877 10.388 -32.188 22.973 1.00 13.13 H new ATOM 0 HG13 VAL A 877 9.991 -31.120 21.606 1.00 13.13 H new ATOM 0 HG21 VAL A 877 9.286 -33.427 19.656 1.00 44.42 H new ATOM 0 HG22 VAL A 877 10.313 -32.051 19.188 1.00 44.42 H new ATOM 0 HG23 VAL A 877 10.918 -33.714 19.007 1.00 44.42 H new ATOM 1389 N LYS A 878 13.392 -34.621 20.818 1.00 43.21 N ATOM 1390 CA LYS A 878 14.278 -35.612 20.230 1.00 13.23 C ATOM 1391 C LYS A 878 13.531 -36.940 20.094 1.00 34.13 C ATOM 1392 O LYS A 878 12.856 -37.375 21.026 1.00 14.01 O ATOM 1393 CB LYS A 878 15.575 -35.715 21.035 1.00 70.52 C ATOM 1394 CG LYS A 878 16.637 -36.503 20.264 1.00 52.51 C ATOM 1395 CD LYS A 878 16.821 -37.901 20.857 1.00 4.44 C ATOM 1396 CE LYS A 878 16.304 -38.975 19.900 1.00 74.54 C ATOM 1397 NZ LYS A 878 17.130 -40.199 19.999 1.00 72.44 N ATOM 0 H LYS A 878 12.875 -34.943 21.636 1.00 43.21 H new ATOM 0 HA LYS A 878 14.576 -35.310 19.226 1.00 13.23 H new ATOM 0 HB2 LYS A 878 15.949 -34.716 21.258 1.00 70.52 H new ATOM 0 HB3 LYS A 878 15.377 -36.202 21.990 1.00 70.52 H new ATOM 0 HG2 LYS A 878 16.346 -36.584 19.217 1.00 52.51 H new ATOM 0 HG3 LYS A 878 17.585 -35.965 20.291 1.00 52.51 H new ATOM 0 HD2 LYS A 878 17.876 -38.074 21.068 1.00 4.44 H new ATOM 0 HD3 LYS A 878 16.291 -37.970 21.807 1.00 4.44 H new ATOM 0 HE2 LYS A 878 15.266 -39.210 20.134 1.00 74.54 H new ATOM 0 HE3 LYS A 878 16.323 -38.598 18.877 1.00 74.54 H new ATOM 0 HZ1 LYS A 878 16.524 -41.037 19.886 1.00 72.44 H new ATOM 0 HZ2 LYS A 878 17.853 -40.191 19.252 1.00 72.44 H new ATOM 0 HZ3 LYS A 878 17.594 -40.231 20.929 1.00 72.44 H new ATOM 1410 N TYR A 879 13.677 -37.548 18.926 1.00 55.51 N ATOM 1411 CA TYR A 879 13.024 -38.817 18.656 1.00 70.40 C ATOM 1412 C TYR A 879 13.994 -39.805 18.005 1.00 64.11 C ATOM 1413 O TYR A 879 14.891 -39.403 17.265 1.00 24.43 O ATOM 1414 CB TYR A 879 11.893 -38.510 17.673 1.00 14.42 C ATOM 1415 CG TYR A 879 11.065 -39.733 17.274 1.00 11.12 C ATOM 1416 CD1 TYR A 879 10.806 -40.723 18.200 1.00 14.44 C ATOM 1417 CD2 TYR A 879 10.577 -39.847 15.988 1.00 44.30 C ATOM 1418 CE1 TYR A 879 10.027 -41.874 17.825 1.00 54.01 C ATOM 1419 CE2 TYR A 879 9.798 -40.998 15.612 1.00 24.04 C ATOM 1420 CZ TYR A 879 9.561 -41.955 16.549 1.00 4.14 C ATOM 1421 OH TYR A 879 8.826 -43.042 16.195 1.00 73.33 O ATOM 0 H TYR A 879 14.238 -37.185 18.156 1.00 55.51 H new ATOM 0 HA TYR A 879 12.663 -39.266 19.581 1.00 70.40 H new ATOM 0 HB2 TYR A 879 11.232 -37.766 18.117 1.00 14.42 H new ATOM 0 HB3 TYR A 879 12.318 -38.063 16.774 1.00 14.42 H new ATOM 0 HD1 TYR A 879 11.188 -40.634 19.206 1.00 14.44 H new ATOM 0 HD2 TYR A 879 10.780 -39.072 15.263 1.00 44.30 H new ATOM 0 HE1 TYR A 879 9.817 -42.656 18.540 1.00 54.01 H new ATOM 0 HE2 TYR A 879 9.411 -41.099 14.609 1.00 24.04 H new ATOM 0 HH TYR A 879 8.559 -42.965 15.255 1.00 73.33 H new ATOM 1431 N LYS A 880 13.782 -41.078 18.304 1.00 72.34 N ATOM 1432 CA LYS A 880 14.627 -42.126 17.757 1.00 75.43 C ATOM 1433 C LYS A 880 14.897 -41.838 16.279 1.00 62.13 C ATOM 1434 O LYS A 880 15.960 -42.177 15.761 1.00 60.42 O ATOM 1435 CB LYS A 880 14.006 -43.502 18.011 1.00 4.24 C ATOM 1436 CG LYS A 880 14.483 -44.080 19.345 1.00 4.34 C ATOM 1437 CD LYS A 880 13.672 -43.511 20.511 1.00 54.01 C ATOM 1438 CE LYS A 880 12.210 -43.957 20.430 1.00 2.41 C ATOM 1439 NZ LYS A 880 12.119 -45.349 19.937 1.00 65.10 N ATOM 0 H LYS A 880 13.037 -41.408 18.918 1.00 72.34 H new ATOM 0 HA LYS A 880 15.593 -42.139 18.262 1.00 75.43 H new ATOM 0 HB2 LYS A 880 12.919 -43.420 18.014 1.00 4.24 H new ATOM 0 HB3 LYS A 880 14.272 -44.180 17.200 1.00 4.24 H new ATOM 0 HG2 LYS A 880 14.390 -45.166 19.329 1.00 4.34 H new ATOM 0 HG3 LYS A 880 15.539 -43.852 19.487 1.00 4.34 H new ATOM 0 HD2 LYS A 880 14.105 -43.841 21.455 1.00 54.01 H new ATOM 0 HD3 LYS A 880 13.725 -42.422 20.499 1.00 54.01 H new ATOM 0 HE2 LYS A 880 11.746 -43.882 21.413 1.00 2.41 H new ATOM 0 HE3 LYS A 880 11.657 -43.293 19.765 1.00 2.41 H new ATOM 0 HZ1 LYS A 880 11.161 -45.716 20.109 1.00 65.10 H new ATOM 0 HZ2 LYS A 880 12.319 -45.370 18.917 1.00 65.10 H new ATOM 0 HZ3 LYS A 880 12.812 -45.941 20.438 1.00 65.10 H new ATOM 1452 N THR A 881 13.917 -41.215 15.641 1.00 2.32 N ATOM 1453 CA THR A 881 14.036 -40.877 14.233 1.00 3.20 C ATOM 1454 C THR A 881 15.079 -39.775 14.035 1.00 24.24 C ATOM 1455 O THR A 881 16.185 -40.039 13.565 1.00 73.22 O ATOM 1456 CB THR A 881 12.646 -40.497 13.719 1.00 43.12 C ATOM 1457 OG1 THR A 881 11.811 -41.567 14.152 1.00 64.31 O ATOM 1458 CG2 THR A 881 12.553 -40.546 12.192 1.00 1.24 C ATOM 0 H THR A 881 13.037 -40.935 16.074 1.00 2.32 H new ATOM 0 HA THR A 881 14.393 -41.727 13.651 1.00 3.20 H new ATOM 0 HB THR A 881 12.392 -39.496 14.066 1.00 43.12 H new ATOM 0 HG1 THR A 881 11.388 -41.328 15.003 1.00 64.31 H new ATOM 0 HG21 THR A 881 11.546 -40.268 11.880 1.00 1.24 H new ATOM 0 HG22 THR A 881 13.272 -39.849 11.761 1.00 1.24 H new ATOM 0 HG23 THR A 881 12.774 -41.556 11.846 1.00 1.24 H new ATOM 1466 N PHE A 882 14.691 -38.564 14.405 1.00 51.41 N ATOM 1467 CA PHE A 882 15.579 -37.421 14.274 1.00 13.31 C ATOM 1468 C PHE A 882 15.279 -36.369 15.344 1.00 43.41 C ATOM 1469 O PHE A 882 14.299 -36.486 16.078 1.00 43.01 O ATOM 1470 CB PHE A 882 15.325 -36.813 12.893 1.00 20.11 C ATOM 1471 CG PHE A 882 16.120 -37.475 11.766 1.00 24.42 C ATOM 1472 CD1 PHE A 882 17.451 -37.709 11.920 1.00 43.04 C ATOM 1473 CD2 PHE A 882 15.496 -37.831 10.611 1.00 3.32 C ATOM 1474 CE1 PHE A 882 18.189 -38.324 10.874 1.00 45.22 C ATOM 1475 CE2 PHE A 882 16.234 -38.445 9.566 1.00 64.45 C ATOM 1476 CZ PHE A 882 17.565 -38.679 9.719 1.00 63.02 C ATOM 0 H PHE A 882 13.774 -38.349 14.796 1.00 51.41 H new ATOM 0 HA PHE A 882 16.615 -37.739 14.394 1.00 13.31 H new ATOM 0 HB2 PHE A 882 14.262 -36.886 12.665 1.00 20.11 H new ATOM 0 HB3 PHE A 882 15.572 -35.752 12.923 1.00 20.11 H new ATOM 0 HD1 PHE A 882 17.946 -37.427 12.837 1.00 43.04 H new ATOM 0 HD2 PHE A 882 14.439 -37.646 10.489 1.00 3.32 H new ATOM 0 HE1 PHE A 882 19.246 -38.510 10.996 1.00 45.22 H new ATOM 0 HE2 PHE A 882 15.738 -38.727 8.649 1.00 64.45 H new ATOM 0 HZ PHE A 882 18.126 -39.147 8.924 1.00 63.02 H new ATOM 1486 N GLU A 883 16.142 -35.364 15.398 1.00 33.33 N ATOM 1487 CA GLU A 883 15.982 -34.292 16.366 1.00 30.31 C ATOM 1488 C GLU A 883 15.409 -33.046 15.688 1.00 44.10 C ATOM 1489 O GLU A 883 16.131 -32.318 15.008 1.00 1.01 O ATOM 1490 CB GLU A 883 17.309 -33.978 17.060 1.00 34.13 C ATOM 1491 CG GLU A 883 18.445 -33.855 16.043 1.00 75.44 C ATOM 1492 CD GLU A 883 19.102 -35.213 15.788 1.00 31.54 C ATOM 1493 OE1 GLU A 883 20.008 -35.316 14.948 1.00 73.12 O ATOM 1494 OE2 GLU A 883 18.641 -36.184 16.502 1.00 71.42 O ATOM 0 H GLU A 883 16.954 -35.270 14.787 1.00 33.33 H new ATOM 0 HA GLU A 883 15.279 -34.621 17.131 1.00 30.31 H new ATOM 0 HB2 GLU A 883 17.218 -33.049 17.623 1.00 34.13 H new ATOM 0 HB3 GLU A 883 17.543 -34.764 17.778 1.00 34.13 H new ATOM 0 HG2 GLU A 883 18.058 -33.453 15.107 1.00 75.44 H new ATOM 0 HG3 GLU A 883 19.191 -33.149 16.409 1.00 75.44 H new ATOM 1502 N ILE A 884 14.118 -32.838 15.897 1.00 74.54 N ATOM 1503 CA ILE A 884 13.440 -31.693 15.314 1.00 50.21 C ATOM 1504 C ILE A 884 12.363 -31.197 16.281 1.00 74.05 C ATOM 1505 O ILE A 884 11.959 -31.920 17.190 1.00 70.32 O ATOM 1506 CB ILE A 884 12.906 -32.037 13.922 1.00 40.00 C ATOM 1507 CG1 ILE A 884 12.479 -33.504 13.846 1.00 72.20 C ATOM 1508 CG2 ILE A 884 13.927 -31.680 12.840 1.00 70.55 C ATOM 1509 CD1 ILE A 884 11.422 -33.823 14.905 1.00 31.14 C ATOM 0 H ILE A 884 13.523 -33.443 16.462 1.00 74.54 H new ATOM 0 HA ILE A 884 14.140 -30.871 15.166 1.00 50.21 H new ATOM 0 HB ILE A 884 12.017 -31.433 13.738 1.00 40.00 H new ATOM 0 HG12 ILE A 884 12.082 -33.720 12.854 1.00 72.20 H new ATOM 0 HG13 ILE A 884 13.347 -34.147 13.989 1.00 72.20 H new ATOM 0 HG21 ILE A 884 13.523 -31.934 11.860 1.00 70.55 H new ATOM 0 HG22 ILE A 884 14.140 -30.612 12.879 1.00 70.55 H new ATOM 0 HG23 ILE A 884 14.847 -32.239 13.009 1.00 70.55 H new ATOM 0 HD11 ILE A 884 11.136 -34.872 14.829 1.00 31.14 H new ATOM 0 HD12 ILE A 884 11.831 -33.629 15.897 1.00 31.14 H new ATOM 0 HD13 ILE A 884 10.545 -33.195 14.745 1.00 31.14 H new ATOM 1521 N PRO A 885 11.916 -29.934 16.045 1.00 60.22 N ATOM 1522 CA PRO A 885 10.893 -29.333 16.884 1.00 64.31 C ATOM 1523 C PRO A 885 9.514 -29.917 16.570 1.00 1.34 C ATOM 1524 O PRO A 885 9.170 -30.114 15.406 1.00 33.12 O ATOM 1525 CB PRO A 885 10.984 -27.841 16.607 1.00 21.44 C ATOM 1526 CG PRO A 885 11.729 -27.706 15.289 1.00 22.53 C ATOM 1527 CD PRO A 885 12.371 -29.048 14.977 1.00 21.42 C ATOM 0 HA PRO A 885 11.044 -29.538 17.944 1.00 64.31 H new ATOM 0 HB2 PRO A 885 9.992 -27.395 16.542 1.00 21.44 H new ATOM 0 HB3 PRO A 885 11.513 -27.326 17.409 1.00 21.44 H new ATOM 0 HG2 PRO A 885 11.045 -27.416 14.492 1.00 22.53 H new ATOM 0 HG3 PRO A 885 12.488 -26.927 15.357 1.00 22.53 H new ATOM 0 HD2 PRO A 885 12.063 -29.416 13.999 1.00 21.42 H new ATOM 0 HD3 PRO A 885 13.458 -28.973 14.961 1.00 21.42 H new ATOM 1535 N VAL A 886 8.762 -30.176 17.630 1.00 70.22 N ATOM 1536 CA VAL A 886 7.428 -30.733 17.482 1.00 11.13 C ATOM 1537 C VAL A 886 6.393 -29.675 17.871 1.00 72.32 C ATOM 1538 O VAL A 886 6.499 -29.058 18.929 1.00 15.51 O ATOM 1539 CB VAL A 886 7.304 -32.020 18.301 1.00 43.40 C ATOM 1540 CG1 VAL A 886 5.836 -32.394 18.515 1.00 65.43 C ATOM 1541 CG2 VAL A 886 8.072 -33.166 17.640 1.00 5.21 C ATOM 0 H VAL A 886 9.051 -30.011 18.594 1.00 70.22 H new ATOM 0 HA VAL A 886 7.241 -31.005 16.443 1.00 11.13 H new ATOM 0 HB VAL A 886 7.749 -31.839 19.279 1.00 43.40 H new ATOM 0 HG11 VAL A 886 5.776 -33.312 19.100 1.00 65.43 H new ATOM 0 HG12 VAL A 886 5.330 -31.590 19.049 1.00 65.43 H new ATOM 0 HG13 VAL A 886 5.355 -32.547 17.549 1.00 65.43 H new ATOM 0 HG21 VAL A 886 7.968 -34.069 18.242 1.00 5.21 H new ATOM 0 HG22 VAL A 886 7.670 -33.346 16.643 1.00 5.21 H new ATOM 0 HG23 VAL A 886 9.126 -32.901 17.563 1.00 5.21 H new ATOM 1551 N ILE A 887 5.416 -29.499 16.993 1.00 33.45 N ATOM 1552 CA ILE A 887 4.362 -28.527 17.231 1.00 23.25 C ATOM 1553 C ILE A 887 3.002 -29.193 17.015 1.00 13.34 C ATOM 1554 O ILE A 887 2.914 -30.242 16.380 1.00 20.42 O ATOM 1555 CB ILE A 887 4.580 -27.280 16.372 1.00 2.04 C ATOM 1556 CG1 ILE A 887 6.033 -26.807 16.452 1.00 41.42 C ATOM 1557 CG2 ILE A 887 3.595 -26.173 16.753 1.00 20.02 C ATOM 1558 CD1 ILE A 887 6.376 -25.889 15.277 1.00 54.43 C ATOM 0 H ILE A 887 5.332 -30.013 16.116 1.00 33.45 H new ATOM 0 HA ILE A 887 4.388 -28.182 18.265 1.00 23.25 H new ATOM 0 HB ILE A 887 4.383 -27.542 15.332 1.00 2.04 H new ATOM 0 HG12 ILE A 887 6.196 -26.278 17.391 1.00 41.42 H new ATOM 0 HG13 ILE A 887 6.700 -27.669 16.452 1.00 41.42 H new ATOM 0 HG21 ILE A 887 3.771 -25.298 16.128 1.00 20.02 H new ATOM 0 HG22 ILE A 887 2.575 -26.526 16.603 1.00 20.02 H new ATOM 0 HG23 ILE A 887 3.736 -25.905 17.800 1.00 20.02 H new ATOM 0 HD11 ILE A 887 7.414 -25.567 15.358 1.00 54.43 H new ATOM 0 HD12 ILE A 887 6.235 -26.429 14.340 1.00 54.43 H new ATOM 0 HD13 ILE A 887 5.723 -25.016 15.294 1.00 54.43 H new ATOM 1570 N LYS A 888 1.974 -28.555 17.556 1.00 41.30 N ATOM 1571 CA LYS A 888 0.622 -29.072 17.430 1.00 10.33 C ATOM 1572 C LYS A 888 -0.014 -28.520 16.153 1.00 42.32 C ATOM 1573 O LYS A 888 0.647 -27.837 15.372 1.00 53.35 O ATOM 1574 CB LYS A 888 -0.185 -28.776 18.696 1.00 3.32 C ATOM 1575 CG LYS A 888 0.715 -28.781 19.934 1.00 63.24 C ATOM 1576 CD LYS A 888 -0.047 -29.276 21.164 1.00 34.51 C ATOM 1577 CE LYS A 888 0.109 -30.789 21.334 1.00 40.10 C ATOM 1578 NZ LYS A 888 -1.085 -31.362 21.995 1.00 25.41 N ATOM 0 H LYS A 888 2.050 -27.685 18.083 1.00 41.30 H new ATOM 0 HA LYS A 888 0.637 -30.158 17.335 1.00 10.33 H new ATOM 0 HB2 LYS A 888 -0.674 -27.806 18.601 1.00 3.32 H new ATOM 0 HB3 LYS A 888 -0.973 -29.520 18.812 1.00 3.32 H new ATOM 0 HG2 LYS A 888 1.580 -29.420 19.756 1.00 63.24 H new ATOM 0 HG3 LYS A 888 1.094 -27.775 20.117 1.00 63.24 H new ATOM 0 HD2 LYS A 888 0.322 -28.767 22.054 1.00 34.51 H new ATOM 0 HD3 LYS A 888 -1.103 -29.024 21.067 1.00 34.51 H new ATOM 0 HE2 LYS A 888 0.253 -31.257 20.360 1.00 40.10 H new ATOM 0 HE3 LYS A 888 0.998 -31.005 21.926 1.00 40.10 H new ATOM 0 HZ1 LYS A 888 -1.009 -32.399 22.011 1.00 25.41 H new ATOM 0 HZ2 LYS A 888 -1.148 -31.004 22.969 1.00 25.41 H new ATOM 0 HZ3 LYS A 888 -1.939 -31.086 21.469 1.00 25.41 H new ATOM 1591 N ILE A 889 -1.289 -28.836 15.980 1.00 64.21 N ATOM 1592 CA ILE A 889 -2.021 -28.380 14.811 1.00 60.44 C ATOM 1593 C ILE A 889 -2.692 -27.042 15.124 1.00 13.25 C ATOM 1594 O ILE A 889 -2.773 -26.167 14.264 1.00 44.32 O ATOM 1595 CB ILE A 889 -2.995 -29.460 14.334 1.00 42.11 C ATOM 1596 CG1 ILE A 889 -3.559 -29.119 12.953 1.00 2.52 C ATOM 1597 CG2 ILE A 889 -4.102 -29.693 15.364 1.00 60.02 C ATOM 1598 CD1 ILE A 889 -4.649 -30.112 12.545 1.00 4.12 C ATOM 0 H ILE A 889 -1.834 -29.402 16.630 1.00 64.21 H new ATOM 0 HA ILE A 889 -1.339 -28.207 13.978 1.00 60.44 H new ATOM 0 HB ILE A 889 -2.445 -30.396 14.235 1.00 42.11 H new ATOM 0 HG12 ILE A 889 -3.968 -28.109 12.963 1.00 2.52 H new ATOM 0 HG13 ILE A 889 -2.757 -29.131 12.215 1.00 2.52 H new ATOM 0 HG21 ILE A 889 -4.780 -30.465 15.001 1.00 60.02 H new ATOM 0 HG22 ILE A 889 -3.660 -30.013 16.307 1.00 60.02 H new ATOM 0 HG23 ILE A 889 -4.656 -28.767 15.519 1.00 60.02 H new ATOM 0 HD11 ILE A 889 -5.033 -29.847 11.560 1.00 4.12 H new ATOM 0 HD12 ILE A 889 -4.231 -31.118 12.513 1.00 4.12 H new ATOM 0 HD13 ILE A 889 -5.461 -30.080 13.271 1.00 4.12 H new ATOM 1610 N GLU A 890 -3.157 -26.925 16.360 1.00 53.45 N ATOM 1611 CA GLU A 890 -3.819 -25.708 16.798 1.00 51.53 C ATOM 1612 C GLU A 890 -2.784 -24.660 17.212 1.00 43.13 C ATOM 1613 O GLU A 890 -3.136 -23.522 17.520 1.00 64.23 O ATOM 1614 CB GLU A 890 -4.795 -25.995 17.940 1.00 32.02 C ATOM 1615 CG GLU A 890 -4.054 -26.145 19.270 1.00 1.12 C ATOM 1616 CD GLU A 890 -4.927 -26.854 20.308 1.00 40.34 C ATOM 1617 OE1 GLU A 890 -4.523 -27.892 20.853 1.00 40.42 O ATOM 1618 OE2 GLU A 890 -6.063 -26.288 20.542 1.00 25.43 O ATOM 0 H GLU A 890 -3.088 -27.653 17.071 1.00 53.45 H new ATOM 0 HA GLU A 890 -4.395 -25.311 15.963 1.00 51.53 H new ATOM 0 HB2 GLU A 890 -5.522 -25.186 18.014 1.00 32.02 H new ATOM 0 HB3 GLU A 890 -5.353 -26.906 17.726 1.00 32.02 H new ATOM 0 HG2 GLU A 890 -3.135 -26.710 19.116 1.00 1.12 H new ATOM 0 HG3 GLU A 890 -3.766 -25.162 19.643 1.00 1.12 H new ATOM 1626 N SER A 891 -1.528 -25.081 17.206 1.00 64.12 N ATOM 1627 CA SER A 891 -0.439 -24.193 17.577 1.00 63.41 C ATOM 1628 C SER A 891 -0.338 -23.041 16.575 1.00 33.31 C ATOM 1629 O SER A 891 -0.063 -21.905 16.956 1.00 0.33 O ATOM 1630 CB SER A 891 0.889 -24.951 17.650 1.00 53.42 C ATOM 1631 OG SER A 891 1.765 -24.399 18.629 1.00 34.44 O ATOM 0 H SER A 891 -1.240 -26.025 16.950 1.00 64.12 H new ATOM 0 HA SER A 891 -0.650 -23.788 18.567 1.00 63.41 H new ATOM 0 HB2 SER A 891 0.697 -25.998 17.885 1.00 53.42 H new ATOM 0 HB3 SER A 891 1.374 -24.927 16.674 1.00 53.42 H new ATOM 0 HG SER A 891 2.099 -25.114 19.209 1.00 34.44 H new ATOM 1637 N PHE A 892 -0.567 -23.375 15.313 1.00 10.15 N ATOM 1638 CA PHE A 892 -0.506 -22.382 14.254 1.00 22.30 C ATOM 1639 C PHE A 892 -1.758 -22.438 13.377 1.00 34.22 C ATOM 1640 O PHE A 892 -2.536 -23.388 13.459 1.00 12.45 O ATOM 1641 CB PHE A 892 0.717 -22.717 13.398 1.00 61.13 C ATOM 1642 CG PHE A 892 0.965 -24.217 13.226 1.00 74.20 C ATOM 1643 CD1 PHE A 892 0.023 -24.998 12.632 1.00 60.14 C ATOM 1644 CD2 PHE A 892 2.126 -24.770 13.668 1.00 41.32 C ATOM 1645 CE1 PHE A 892 0.253 -26.390 12.472 1.00 32.32 C ATOM 1646 CE2 PHE A 892 2.356 -26.162 13.508 1.00 12.15 C ATOM 1647 CZ PHE A 892 1.414 -26.943 12.914 1.00 2.20 C ATOM 0 H PHE A 892 -0.795 -24.319 15.000 1.00 10.15 H new ATOM 0 HA PHE A 892 -0.441 -21.383 14.684 1.00 22.30 H new ATOM 0 HB2 PHE A 892 0.594 -22.264 12.414 1.00 61.13 H new ATOM 0 HB3 PHE A 892 1.599 -22.263 13.850 1.00 61.13 H new ATOM 0 HD1 PHE A 892 -0.900 -24.559 12.282 1.00 60.14 H new ATOM 0 HD2 PHE A 892 2.873 -24.150 14.141 1.00 41.32 H new ATOM 0 HE1 PHE A 892 -0.494 -27.010 11.999 1.00 32.32 H new ATOM 0 HE2 PHE A 892 3.279 -26.601 13.858 1.00 12.15 H new ATOM 0 HZ PHE A 892 1.588 -28.002 12.793 1.00 2.20 H new ATOM 1657 N VAL A 893 -1.915 -21.409 12.558 1.00 44.13 N ATOM 1658 CA VAL A 893 -3.059 -21.329 11.666 1.00 14.15 C ATOM 1659 C VAL A 893 -2.641 -21.778 10.265 1.00 54.32 C ATOM 1660 O VAL A 893 -1.452 -21.845 9.960 1.00 42.34 O ATOM 1661 CB VAL A 893 -3.645 -19.915 11.692 1.00 63.41 C ATOM 1662 CG1 VAL A 893 -3.507 -19.290 13.081 1.00 33.25 C ATOM 1663 CG2 VAL A 893 -2.992 -19.033 10.626 1.00 10.43 C ATOM 0 H VAL A 893 -1.268 -20.623 12.493 1.00 44.13 H new ATOM 0 HA VAL A 893 -3.851 -22.000 11.999 1.00 14.15 H new ATOM 0 HB VAL A 893 -4.708 -19.988 11.462 1.00 63.41 H new ATOM 0 HG11 VAL A 893 -3.931 -18.286 13.072 1.00 33.25 H new ATOM 0 HG12 VAL A 893 -4.039 -19.902 13.810 1.00 33.25 H new ATOM 0 HG13 VAL A 893 -2.453 -19.236 13.353 1.00 33.25 H new ATOM 0 HG21 VAL A 893 -3.426 -18.034 10.665 1.00 10.43 H new ATOM 0 HG22 VAL A 893 -1.920 -18.971 10.812 1.00 10.43 H new ATOM 0 HG23 VAL A 893 -3.165 -19.465 9.640 1.00 10.43 H new ATOM 1673 N VAL A 894 -3.643 -22.074 9.450 1.00 51.44 N ATOM 1674 CA VAL A 894 -3.394 -22.514 8.088 1.00 74.25 C ATOM 1675 C VAL A 894 -4.027 -21.520 7.111 1.00 23.32 C ATOM 1676 O VAL A 894 -5.249 -21.449 6.997 1.00 34.21 O ATOM 1677 CB VAL A 894 -3.904 -23.944 7.899 1.00 73.33 C ATOM 1678 CG1 VAL A 894 -5.389 -23.953 7.529 1.00 42.32 C ATOM 1679 CG2 VAL A 894 -3.074 -24.689 6.851 1.00 2.33 C ATOM 0 H VAL A 894 -4.629 -22.018 9.707 1.00 51.44 H new ATOM 0 HA VAL A 894 -2.324 -22.534 7.883 1.00 74.25 H new ATOM 0 HB VAL A 894 -3.792 -24.467 8.849 1.00 73.33 H new ATOM 0 HG11 VAL A 894 -5.726 -24.982 7.401 1.00 42.32 H new ATOM 0 HG12 VAL A 894 -5.965 -23.479 8.324 1.00 42.32 H new ATOM 0 HG13 VAL A 894 -5.535 -23.404 6.599 1.00 42.32 H new ATOM 0 HG21 VAL A 894 -3.458 -25.703 6.736 1.00 2.33 H new ATOM 0 HG22 VAL A 894 -3.139 -24.166 5.897 1.00 2.33 H new ATOM 0 HG23 VAL A 894 -2.033 -24.729 7.173 1.00 2.33 H new ATOM 1689 N GLU A 895 -3.165 -20.778 6.432 1.00 52.33 N ATOM 1690 CA GLU A 895 -3.624 -19.791 5.469 1.00 71.02 C ATOM 1691 C GLU A 895 -3.288 -20.241 4.046 1.00 65.41 C ATOM 1692 O GLU A 895 -2.116 -20.361 3.690 1.00 73.24 O ATOM 1693 CB GLU A 895 -3.024 -18.415 5.765 1.00 63.31 C ATOM 1694 CG GLU A 895 -3.732 -17.323 4.961 1.00 61.35 C ATOM 1695 CD GLU A 895 -3.320 -15.932 5.445 1.00 52.53 C ATOM 1696 OE1 GLU A 895 -2.143 -15.559 5.331 1.00 0.22 O ATOM 1697 OE2 GLU A 895 -4.274 -15.227 5.953 1.00 4.02 O ATOM 0 H GLU A 895 -2.152 -20.840 6.529 1.00 52.33 H new ATOM 0 HA GLU A 895 -4.707 -19.705 5.556 1.00 71.02 H new ATOM 0 HB2 GLU A 895 -3.108 -18.199 6.830 1.00 63.31 H new ATOM 0 HB3 GLU A 895 -1.961 -18.418 5.523 1.00 63.31 H new ATOM 0 HG2 GLU A 895 -3.490 -17.430 3.904 1.00 61.35 H new ATOM 0 HG3 GLU A 895 -4.812 -17.440 5.055 1.00 61.35 H new ATOM 1705 N ASP A 896 -4.336 -20.479 3.271 1.00 44.31 N ATOM 1706 CA ASP A 896 -4.166 -20.913 1.895 1.00 62.32 C ATOM 1707 C ASP A 896 -3.691 -19.732 1.046 1.00 1.04 C ATOM 1708 O ASP A 896 -4.110 -18.597 1.266 1.00 13.25 O ATOM 1709 CB ASP A 896 -5.487 -21.415 1.309 1.00 61.42 C ATOM 1710 CG ASP A 896 -5.604 -22.936 1.187 1.00 63.03 C ATOM 1711 OD1 ASP A 896 -6.529 -23.552 1.736 1.00 12.33 O ATOM 1712 OD2 ASP A 896 -4.681 -23.499 0.483 1.00 41.14 O ATOM 0 H ASP A 896 -5.306 -20.379 3.570 1.00 44.31 H new ATOM 0 HA ASP A 896 -3.436 -21.722 1.885 1.00 62.32 H new ATOM 0 HB2 ASP A 896 -6.305 -21.052 1.931 1.00 61.42 H new ATOM 0 HB3 ASP A 896 -5.619 -20.975 0.321 1.00 61.42 H new ATOM 1718 N ILE A 897 -2.822 -20.040 0.094 1.00 14.34 N ATOM 1719 CA ILE A 897 -2.286 -19.018 -0.788 1.00 40.51 C ATOM 1720 C ILE A 897 -3.192 -18.881 -2.013 1.00 60.14 C ATOM 1721 O ILE A 897 -3.110 -17.895 -2.744 1.00 13.45 O ATOM 1722 CB ILE A 897 -0.826 -19.320 -1.133 1.00 53.21 C ATOM 1723 CG1 ILE A 897 -0.131 -20.050 0.017 1.00 21.45 C ATOM 1724 CG2 ILE A 897 -0.083 -18.045 -1.535 1.00 44.42 C ATOM 1725 CD1 ILE A 897 0.071 -21.530 -0.315 1.00 63.02 C ATOM 0 H ILE A 897 -2.476 -20.983 -0.085 1.00 14.34 H new ATOM 0 HA ILE A 897 -2.277 -18.050 -0.288 1.00 40.51 H new ATOM 0 HB ILE A 897 -0.809 -19.987 -1.995 1.00 53.21 H new ATOM 0 HG12 ILE A 897 0.834 -19.584 0.218 1.00 21.45 H new ATOM 0 HG13 ILE A 897 -0.726 -19.955 0.925 1.00 21.45 H new ATOM 0 HG21 ILE A 897 0.952 -18.287 -1.775 1.00 44.42 H new ATOM 0 HG22 ILE A 897 -0.564 -17.603 -2.408 1.00 44.42 H new ATOM 0 HG23 ILE A 897 -0.107 -17.334 -0.709 1.00 44.42 H new ATOM 0 HD11 ILE A 897 0.567 -22.026 0.519 1.00 63.02 H new ATOM 0 HD12 ILE A 897 -0.897 -21.999 -0.492 1.00 63.02 H new ATOM 0 HD13 ILE A 897 0.687 -21.621 -1.210 1.00 63.02 H new ATOM 1737 N ALA A 898 -4.035 -19.886 -2.201 1.00 41.12 N ATOM 1738 CA ALA A 898 -4.955 -19.891 -3.326 1.00 13.55 C ATOM 1739 C ALA A 898 -6.275 -19.243 -2.901 1.00 41.44 C ATOM 1740 O ALA A 898 -7.060 -18.815 -3.746 1.00 51.20 O ATOM 1741 CB ALA A 898 -5.144 -21.324 -3.825 1.00 62.22 C ATOM 0 H ALA A 898 -4.100 -20.702 -1.593 1.00 41.12 H new ATOM 0 HA ALA A 898 -4.552 -19.308 -4.154 1.00 13.55 H new ATOM 0 HB1 ALA A 898 -5.834 -21.327 -4.669 1.00 62.22 H new ATOM 0 HB2 ALA A 898 -4.183 -21.729 -4.141 1.00 62.22 H new ATOM 0 HB3 ALA A 898 -5.550 -21.938 -3.022 1.00 62.22 H new ATOM 1747 N THR A 899 -6.478 -19.191 -1.593 1.00 52.33 N ATOM 1748 CA THR A 899 -7.689 -18.602 -1.047 1.00 31.12 C ATOM 1749 C THR A 899 -7.349 -17.383 -0.188 1.00 42.41 C ATOM 1750 O THR A 899 -8.147 -16.453 -0.080 1.00 44.31 O ATOM 1751 CB THR A 899 -8.441 -19.693 -0.282 1.00 55.01 C ATOM 1752 OG1 THR A 899 -7.778 -19.754 0.977 1.00 20.55 O ATOM 1753 CG2 THR A 899 -8.228 -21.083 -0.884 1.00 31.41 C ATOM 0 H THR A 899 -5.825 -19.547 -0.895 1.00 52.33 H new ATOM 0 HA THR A 899 -8.340 -18.231 -1.839 1.00 31.12 H new ATOM 0 HB THR A 899 -9.506 -19.461 -0.273 1.00 55.01 H new ATOM 0 HG1 THR A 899 -8.021 -20.586 1.435 1.00 20.55 H new ATOM 0 HG21 THR A 899 -8.783 -21.820 -0.304 1.00 31.41 H new ATOM 0 HG22 THR A 899 -8.582 -21.091 -1.915 1.00 31.41 H new ATOM 0 HG23 THR A 899 -7.167 -21.330 -0.863 1.00 31.41 H new ATOM 1761 N GLY A 900 -6.163 -17.426 0.401 1.00 62.01 N ATOM 1762 CA GLY A 900 -5.707 -16.336 1.247 1.00 61.11 C ATOM 1763 C GLY A 900 -6.544 -16.246 2.524 1.00 35.12 C ATOM 1764 O GLY A 900 -6.653 -15.179 3.126 1.00 44.21 O ATOM 0 H GLY A 900 -5.504 -18.199 0.309 1.00 62.01 H new ATOM 0 HA2 GLY A 900 -4.659 -16.485 1.505 1.00 61.11 H new ATOM 0 HA3 GLY A 900 -5.770 -15.395 0.700 1.00 61.11 H new ATOM 1768 N VAL A 901 -7.116 -17.381 2.900 1.00 4.13 N ATOM 1769 CA VAL A 901 -7.940 -17.444 4.095 1.00 11.41 C ATOM 1770 C VAL A 901 -7.229 -18.286 5.156 1.00 12.45 C ATOM 1771 O VAL A 901 -6.728 -19.369 4.861 1.00 62.31 O ATOM 1772 CB VAL A 901 -9.331 -17.975 3.744 1.00 53.14 C ATOM 1773 CG1 VAL A 901 -9.243 -19.360 3.099 1.00 4.50 C ATOM 1774 CG2 VAL A 901 -10.236 -18.001 4.977 1.00 21.12 C ATOM 0 H VAL A 901 -7.025 -18.264 2.398 1.00 4.13 H new ATOM 0 HA VAL A 901 -8.083 -16.448 4.513 1.00 11.41 H new ATOM 0 HB VAL A 901 -9.775 -17.295 3.017 1.00 53.14 H new ATOM 0 HG11 VAL A 901 -10.246 -19.714 2.859 1.00 4.50 H new ATOM 0 HG12 VAL A 901 -8.652 -19.299 2.185 1.00 4.50 H new ATOM 0 HG13 VAL A 901 -8.769 -20.055 3.792 1.00 4.50 H new ATOM 0 HG21 VAL A 901 -11.219 -18.383 4.699 1.00 21.12 H new ATOM 0 HG22 VAL A 901 -9.797 -18.648 5.737 1.00 21.12 H new ATOM 0 HG23 VAL A 901 -10.338 -16.991 5.375 1.00 21.12 H new ATOM 1784 N GLN A 902 -7.208 -17.755 6.370 1.00 35.34 N ATOM 1785 CA GLN A 902 -6.567 -18.445 7.477 1.00 13.43 C ATOM 1786 C GLN A 902 -7.620 -19.080 8.388 1.00 2.44 C ATOM 1787 O GLN A 902 -8.732 -18.568 8.509 1.00 4.42 O ATOM 1788 CB GLN A 902 -5.662 -17.495 8.264 1.00 13.33 C ATOM 1789 CG GLN A 902 -6.484 -16.419 8.977 1.00 52.43 C ATOM 1790 CD GLN A 902 -5.578 -15.331 9.557 1.00 41.23 C ATOM 1791 OE1 GLN A 902 -5.820 -14.144 9.415 1.00 55.43 O ATOM 1792 NE2 GLN A 902 -4.523 -15.801 10.217 1.00 40.44 N ATOM 0 H GLN A 902 -7.624 -16.856 6.611 1.00 35.34 H new ATOM 0 HA GLN A 902 -5.940 -19.239 7.071 1.00 13.43 H new ATOM 0 HB2 GLN A 902 -5.084 -18.060 8.995 1.00 13.33 H new ATOM 0 HB3 GLN A 902 -4.948 -17.024 7.588 1.00 13.33 H new ATOM 0 HG2 GLN A 902 -7.191 -15.973 8.277 1.00 52.43 H new ATOM 0 HG3 GLN A 902 -7.070 -16.874 9.776 1.00 52.43 H new ATOM 0 HE21 GLN A 902 -4.379 -16.808 10.299 1.00 40.44 H new ATOM 0 HE22 GLN A 902 -3.858 -15.155 10.641 1.00 40.44 H new ATOM 1801 N THR A 903 -7.232 -20.186 9.006 1.00 2.30 N ATOM 1802 CA THR A 903 -8.128 -20.896 9.902 1.00 11.04 C ATOM 1803 C THR A 903 -7.328 -21.690 10.937 1.00 74.42 C ATOM 1804 O THR A 903 -6.288 -22.264 10.616 1.00 14.51 O ATOM 1805 CB THR A 903 -9.055 -21.766 9.052 1.00 73.41 C ATOM 1806 OG1 THR A 903 -9.340 -20.960 7.912 1.00 65.10 O ATOM 1807 CG2 THR A 903 -10.421 -21.980 9.707 1.00 74.41 C ATOM 0 H THR A 903 -6.309 -20.608 8.904 1.00 2.30 H new ATOM 0 HA THR A 903 -8.745 -20.204 10.476 1.00 11.04 H new ATOM 0 HB THR A 903 -8.582 -22.732 8.873 1.00 73.41 H new ATOM 0 HG1 THR A 903 -8.691 -21.153 7.204 1.00 65.10 H new ATOM 0 HG21 THR A 903 -11.040 -22.604 9.062 1.00 74.41 H new ATOM 0 HG22 THR A 903 -10.289 -22.472 10.671 1.00 74.41 H new ATOM 0 HG23 THR A 903 -10.908 -21.016 9.855 1.00 74.41 H new ATOM 1815 N LEU A 904 -7.844 -21.699 12.157 1.00 34.11 N ATOM 1816 CA LEU A 904 -7.191 -22.414 13.241 1.00 54.23 C ATOM 1817 C LEU A 904 -8.117 -23.522 13.745 1.00 32.44 C ATOM 1818 O LEU A 904 -9.290 -23.277 14.025 1.00 24.55 O ATOM 1819 CB LEU A 904 -6.746 -21.440 14.333 1.00 1.32 C ATOM 1820 CG LEU A 904 -7.534 -20.132 14.428 1.00 53.21 C ATOM 1821 CD1 LEU A 904 -8.877 -20.351 15.127 1.00 12.44 C ATOM 1822 CD2 LEU A 904 -6.705 -19.040 15.107 1.00 14.11 C ATOM 0 H LEU A 904 -8.707 -21.223 12.419 1.00 34.11 H new ATOM 0 HA LEU A 904 -6.280 -22.896 12.886 1.00 54.23 H new ATOM 0 HB2 LEU A 904 -6.809 -21.950 15.294 1.00 1.32 H new ATOM 0 HB3 LEU A 904 -5.696 -21.197 14.170 1.00 1.32 H new ATOM 0 HG LEU A 904 -7.750 -19.789 13.416 1.00 53.21 H new ATOM 0 HD11 LEU A 904 -9.417 -19.406 15.182 1.00 12.44 H new ATOM 0 HD12 LEU A 904 -9.467 -21.074 14.564 1.00 12.44 H new ATOM 0 HD13 LEU A 904 -8.705 -20.729 16.135 1.00 12.44 H new ATOM 0 HD21 LEU A 904 -7.289 -18.121 15.162 1.00 14.11 H new ATOM 0 HD22 LEU A 904 -6.437 -19.360 16.114 1.00 14.11 H new ATOM 0 HD23 LEU A 904 -5.798 -18.860 14.530 1.00 14.11 H new ATOM 1834 N TYR A 905 -7.556 -24.718 13.846 1.00 23.22 N ATOM 1835 CA TYR A 905 -8.316 -25.865 14.312 1.00 32.33 C ATOM 1836 C TYR A 905 -8.055 -26.130 15.796 1.00 22.14 C ATOM 1837 O TYR A 905 -7.484 -25.290 16.489 1.00 4.44 O ATOM 1838 CB TYR A 905 -7.818 -27.061 13.498 1.00 51.33 C ATOM 1839 CG TYR A 905 -7.951 -26.881 11.984 1.00 31.12 C ATOM 1840 CD1 TYR A 905 -9.201 -26.767 11.410 1.00 2.30 C ATOM 1841 CD2 TYR A 905 -6.821 -26.834 11.193 1.00 52.51 C ATOM 1842 CE1 TYR A 905 -9.326 -26.598 9.985 1.00 0.35 C ATOM 1843 CE2 TYR A 905 -6.946 -26.665 9.768 1.00 14.54 C ATOM 1844 CZ TYR A 905 -8.193 -26.555 9.235 1.00 64.00 C ATOM 1845 OH TYR A 905 -8.311 -26.395 7.890 1.00 62.45 O ATOM 0 H TYR A 905 -6.583 -24.917 13.613 1.00 23.22 H new ATOM 0 HA TYR A 905 -9.385 -25.692 14.189 1.00 32.33 H new ATOM 0 HB2 TYR A 905 -6.771 -27.243 13.742 1.00 51.33 H new ATOM 0 HB3 TYR A 905 -8.374 -27.949 13.798 1.00 51.33 H new ATOM 0 HD1 TYR A 905 -10.085 -26.804 12.029 1.00 2.30 H new ATOM 0 HD2 TYR A 905 -5.843 -26.924 11.642 1.00 52.51 H new ATOM 0 HE1 TYR A 905 -10.298 -26.507 9.523 1.00 0.35 H new ATOM 0 HE2 TYR A 905 -6.070 -26.626 9.137 1.00 14.54 H new ATOM 0 HH TYR A 905 -7.420 -26.381 7.483 1.00 62.45 H new ATOM 1855 N SER A 906 -8.485 -27.302 16.240 1.00 14.24 N ATOM 1856 CA SER A 906 -8.305 -27.688 17.630 1.00 51.14 C ATOM 1857 C SER A 906 -7.641 -29.064 17.708 1.00 21.02 C ATOM 1858 O SER A 906 -6.647 -29.238 18.412 1.00 34.51 O ATOM 1859 CB SER A 906 -9.641 -27.700 18.376 1.00 43.33 C ATOM 1860 OG SER A 906 -10.376 -26.496 18.173 1.00 11.01 O ATOM 0 H SER A 906 -8.958 -27.997 15.662 1.00 14.24 H new ATOM 0 HA SER A 906 -7.659 -26.952 18.109 1.00 51.14 H new ATOM 0 HB2 SER A 906 -10.236 -28.549 18.040 1.00 43.33 H new ATOM 0 HB3 SER A 906 -9.460 -27.839 19.442 1.00 43.33 H new ATOM 0 HG SER A 906 -11.223 -26.543 18.664 1.00 11.01 H new ATOM 1866 N LYS A 907 -8.217 -30.006 16.976 1.00 64.11 N ATOM 1867 CA LYS A 907 -7.693 -31.361 16.954 1.00 60.42 C ATOM 1868 C LYS A 907 -6.966 -31.601 15.629 1.00 20.11 C ATOM 1869 O LYS A 907 -7.201 -30.894 14.651 1.00 55.42 O ATOM 1870 CB LYS A 907 -8.808 -32.371 17.235 1.00 25.11 C ATOM 1871 CG LYS A 907 -8.235 -33.684 17.772 1.00 61.50 C ATOM 1872 CD LYS A 907 -7.494 -33.461 19.092 1.00 54.30 C ATOM 1873 CE LYS A 907 -8.263 -32.494 19.995 1.00 41.43 C ATOM 1874 NZ LYS A 907 -9.656 -32.957 20.184 1.00 63.22 N ATOM 0 H LYS A 907 -9.041 -29.858 16.394 1.00 64.11 H new ATOM 0 HA LYS A 907 -6.961 -31.499 17.749 1.00 60.42 H new ATOM 0 HB2 LYS A 907 -9.509 -31.953 17.958 1.00 25.11 H new ATOM 0 HB3 LYS A 907 -9.370 -32.562 16.321 1.00 25.11 H new ATOM 0 HG2 LYS A 907 -9.041 -34.403 17.920 1.00 61.50 H new ATOM 0 HG3 LYS A 907 -7.555 -34.115 17.038 1.00 61.50 H new ATOM 0 HD2 LYS A 907 -7.360 -34.414 19.604 1.00 54.30 H new ATOM 0 HD3 LYS A 907 -6.499 -33.064 18.892 1.00 54.30 H new ATOM 0 HE2 LYS A 907 -7.765 -32.416 20.962 1.00 41.43 H new ATOM 0 HE3 LYS A 907 -8.262 -31.497 19.555 1.00 41.43 H new ATOM 0 HZ1 LYS A 907 -10.307 -32.307 19.698 1.00 63.22 H new ATOM 0 HZ2 LYS A 907 -9.761 -33.913 19.788 1.00 63.22 H new ATOM 0 HZ3 LYS A 907 -9.881 -32.977 21.199 1.00 63.22 H new ATOM 1887 N TRP A 908 -6.097 -32.601 15.640 1.00 20.12 N ATOM 1888 CA TRP A 908 -5.334 -32.943 14.452 1.00 51.03 C ATOM 1889 C TRP A 908 -6.257 -33.710 13.502 1.00 5.11 C ATOM 1890 O TRP A 908 -5.951 -33.860 12.320 1.00 4.12 O ATOM 1891 CB TRP A 908 -4.070 -33.723 14.817 1.00 30.44 C ATOM 1892 CG TRP A 908 -3.419 -33.275 16.127 1.00 3.21 C ATOM 1893 CD1 TRP A 908 -2.414 -32.404 16.293 1.00 51.41 C ATOM 1894 CD2 TRP A 908 -3.770 -33.713 17.456 1.00 21.45 C ATOM 1895 NE1 TRP A 908 -2.093 -32.249 17.626 1.00 33.22 N ATOM 1896 CE2 TRP A 908 -2.944 -33.071 18.356 1.00 12.13 C ATOM 1897 CE3 TRP A 908 -4.753 -34.623 17.884 1.00 11.24 C ATOM 1898 CZ2 TRP A 908 -3.017 -33.269 19.740 1.00 10.03 C ATOM 1899 CZ3 TRP A 908 -4.813 -34.810 19.271 1.00 51.33 C ATOM 1900 CH2 TRP A 908 -3.989 -34.171 20.190 1.00 40.23 C ATOM 0 H TRP A 908 -5.904 -33.186 16.453 1.00 20.12 H new ATOM 0 HA TRP A 908 -4.984 -32.043 13.946 1.00 51.03 H new ATOM 0 HB2 TRP A 908 -4.317 -34.782 14.890 1.00 30.44 H new ATOM 0 HB3 TRP A 908 -3.346 -33.620 14.009 1.00 30.44 H new ATOM 0 HD1 TRP A 908 -1.917 -31.888 15.485 1.00 51.41 H new ATOM 0 HE1 TRP A 908 -1.366 -31.643 18.006 1.00 33.22 H new ATOM 0 HE3 TRP A 908 -5.410 -35.137 17.198 1.00 11.24 H new ATOM 0 HZ2 TRP A 908 -2.359 -32.754 20.424 1.00 10.03 H new ATOM 0 HZ3 TRP A 908 -5.552 -35.499 19.653 1.00 51.33 H new ATOM 0 HH2 TRP A 908 -4.098 -34.369 21.246 1.00 40.23 H new ATOM 1911 N LYS A 909 -7.367 -34.175 14.055 1.00 71.33 N ATOM 1912 CA LYS A 909 -8.336 -34.923 13.272 1.00 72.03 C ATOM 1913 C LYS A 909 -8.650 -34.154 11.987 1.00 12.40 C ATOM 1914 O LYS A 909 -9.079 -34.742 10.996 1.00 70.22 O ATOM 1915 CB LYS A 909 -9.572 -35.244 14.114 1.00 35.00 C ATOM 1916 CG LYS A 909 -10.542 -34.061 14.137 1.00 15.12 C ATOM 1917 CD LYS A 909 -11.508 -34.120 12.952 1.00 72.41 C ATOM 1918 CE LYS A 909 -12.769 -34.909 13.311 1.00 13.43 C ATOM 1919 NZ LYS A 909 -13.354 -35.531 12.102 1.00 2.33 N ATOM 0 H LYS A 909 -7.617 -34.048 15.036 1.00 71.33 H new ATOM 0 HA LYS A 909 -7.923 -35.887 12.974 1.00 72.03 H new ATOM 0 HB2 LYS A 909 -10.074 -36.123 13.709 1.00 35.00 H new ATOM 0 HB3 LYS A 909 -9.269 -35.490 15.132 1.00 35.00 H new ATOM 0 HG2 LYS A 909 -11.105 -34.066 15.070 1.00 15.12 H new ATOM 0 HG3 LYS A 909 -9.982 -33.126 14.108 1.00 15.12 H new ATOM 0 HD2 LYS A 909 -11.781 -33.109 12.650 1.00 72.41 H new ATOM 0 HD3 LYS A 909 -11.014 -34.585 12.099 1.00 72.41 H new ATOM 0 HE2 LYS A 909 -12.527 -35.680 14.043 1.00 13.43 H new ATOM 0 HE3 LYS A 909 -13.499 -34.247 13.776 1.00 13.43 H new ATOM 0 HZ1 LYS A 909 -14.209 -36.062 12.364 1.00 2.33 H new ATOM 0 HZ2 LYS A 909 -13.604 -34.790 11.416 1.00 2.33 H new ATOM 0 HZ3 LYS A 909 -12.661 -36.178 11.675 1.00 2.33 H new ATOM 1932 N ASP A 910 -8.424 -32.849 12.046 1.00 33.41 N ATOM 1933 CA ASP A 910 -8.678 -31.993 10.900 1.00 63.33 C ATOM 1934 C ASP A 910 -7.399 -31.869 10.069 1.00 41.10 C ATOM 1935 O ASP A 910 -7.122 -30.812 9.504 1.00 4.03 O ATOM 1936 CB ASP A 910 -9.092 -30.589 11.342 1.00 14.33 C ATOM 1937 CG ASP A 910 -9.846 -29.775 10.288 1.00 5.32 C ATOM 1938 OD1 ASP A 910 -9.292 -29.428 9.234 1.00 15.41 O ATOM 1939 OD2 ASP A 910 -11.068 -29.492 10.588 1.00 30.53 O ATOM 0 H ASP A 910 -8.068 -32.364 12.870 1.00 33.41 H new ATOM 0 HA ASP A 910 -9.484 -32.440 10.317 1.00 63.33 H new ATOM 0 HB2 ASP A 910 -9.718 -30.674 12.230 1.00 14.33 H new ATOM 0 HB3 ASP A 910 -8.198 -30.038 11.634 1.00 14.33 H new ATOM 1945 N PHE A 911 -6.654 -32.963 10.021 1.00 61.53 N ATOM 1946 CA PHE A 911 -5.411 -32.990 9.268 1.00 31.34 C ATOM 1947 C PHE A 911 -5.679 -32.913 7.764 1.00 1.20 C ATOM 1948 O PHE A 911 -6.768 -33.255 7.305 1.00 24.43 O ATOM 1949 CB PHE A 911 -4.726 -34.321 9.584 1.00 24.05 C ATOM 1950 CG PHE A 911 -5.566 -35.552 9.238 1.00 40.35 C ATOM 1951 CD1 PHE A 911 -5.509 -36.083 7.987 1.00 32.31 C ATOM 1952 CD2 PHE A 911 -6.370 -36.114 10.180 1.00 43.13 C ATOM 1953 CE1 PHE A 911 -6.289 -37.226 7.665 1.00 11.51 C ATOM 1954 CE2 PHE A 911 -7.150 -37.256 9.858 1.00 65.02 C ATOM 1955 CZ PHE A 911 -7.093 -37.788 8.607 1.00 2.23 C ATOM 0 H PHE A 911 -6.887 -33.838 10.491 1.00 61.53 H new ATOM 0 HA PHE A 911 -4.791 -32.137 9.543 1.00 31.34 H new ATOM 0 HB2 PHE A 911 -3.784 -34.372 9.038 1.00 24.05 H new ATOM 0 HB3 PHE A 911 -4.481 -34.348 10.646 1.00 24.05 H new ATOM 0 HD1 PHE A 911 -4.871 -35.636 7.239 1.00 32.31 H new ATOM 0 HD2 PHE A 911 -6.415 -35.692 11.173 1.00 43.13 H new ATOM 0 HE1 PHE A 911 -6.243 -37.649 6.672 1.00 11.51 H new ATOM 0 HE2 PHE A 911 -7.788 -37.702 10.606 1.00 65.02 H new ATOM 0 HZ PHE A 911 -7.686 -38.657 8.362 1.00 2.23 H new ATOM 1965 N HIS A 912 -4.667 -32.460 7.038 1.00 74.43 N ATOM 1966 CA HIS A 912 -4.780 -32.334 5.595 1.00 40.54 C ATOM 1967 C HIS A 912 -3.591 -33.024 4.924 1.00 23.44 C ATOM 1968 O HIS A 912 -3.291 -32.763 3.760 1.00 13.44 O ATOM 1969 CB HIS A 912 -4.919 -30.865 5.188 1.00 73.34 C ATOM 1970 CG HIS A 912 -5.511 -30.663 3.813 1.00 14.42 C ATOM 1971 ND1 HIS A 912 -6.060 -31.695 3.074 1.00 74.53 N ATOM 1972 CD2 HIS A 912 -5.635 -29.537 3.053 1.00 13.44 C ATOM 1973 CE1 HIS A 912 -6.491 -31.202 1.922 1.00 33.20 C ATOM 1974 NE2 HIS A 912 -6.226 -29.864 1.911 1.00 34.21 N ATOM 0 H HIS A 912 -3.766 -32.176 7.422 1.00 74.43 H new ATOM 0 HA HIS A 912 -5.686 -32.834 5.253 1.00 40.54 H new ATOM 0 HB2 HIS A 912 -5.543 -30.353 5.920 1.00 73.34 H new ATOM 0 HB3 HIS A 912 -3.936 -30.394 5.222 1.00 73.34 H new ATOM 0 HD1 HIS A 912 -6.123 -32.670 3.366 1.00 74.53 H new ATOM 0 HD2 HIS A 912 -5.307 -28.547 3.333 1.00 13.44 H new ATOM 0 HE1 HIS A 912 -6.968 -31.761 1.131 1.00 33.20 H new ATOM 1982 N PHE A 913 -2.945 -33.893 5.688 1.00 21.22 N ATOM 1983 CA PHE A 913 -1.795 -34.624 5.183 1.00 41.20 C ATOM 1984 C PHE A 913 -1.766 -36.051 5.735 1.00 51.43 C ATOM 1985 O PHE A 913 -2.672 -36.458 6.461 1.00 3.50 O ATOM 1986 CB PHE A 913 -0.547 -33.879 5.661 1.00 22.43 C ATOM 1987 CG PHE A 913 0.008 -32.878 4.646 1.00 13.12 C ATOM 1988 CD1 PHE A 913 -0.706 -31.764 4.331 1.00 41.15 C ATOM 1989 CD2 PHE A 913 1.214 -33.102 4.059 1.00 0.45 C ATOM 1990 CE1 PHE A 913 -0.191 -30.835 3.388 1.00 13.54 C ATOM 1991 CE2 PHE A 913 1.729 -32.172 3.117 1.00 34.22 C ATOM 1992 CZ PHE A 913 1.015 -31.058 2.802 1.00 60.24 C ATOM 0 H PHE A 913 -3.196 -34.107 6.653 1.00 21.22 H new ATOM 0 HA PHE A 913 -1.841 -34.685 4.096 1.00 41.20 H new ATOM 0 HB2 PHE A 913 -0.783 -33.351 6.585 1.00 22.43 H new ATOM 0 HB3 PHE A 913 0.229 -34.607 5.900 1.00 22.43 H new ATOM 0 HD1 PHE A 913 -1.664 -31.586 4.797 1.00 41.15 H new ATOM 0 HD2 PHE A 913 1.780 -33.987 4.309 1.00 0.45 H new ATOM 0 HE1 PHE A 913 -0.758 -29.951 3.136 1.00 13.54 H new ATOM 0 HE2 PHE A 913 2.687 -32.349 2.651 1.00 34.22 H new ATOM 0 HZ PHE A 913 1.406 -30.350 2.086 1.00 60.24 H new ATOM 2002 N GLU A 914 -0.716 -36.771 5.369 1.00 74.32 N ATOM 2003 CA GLU A 914 -0.558 -38.144 5.818 1.00 23.11 C ATOM 2004 C GLU A 914 0.825 -38.342 6.443 1.00 50.33 C ATOM 2005 O GLU A 914 1.695 -37.482 6.317 1.00 3.43 O ATOM 2006 CB GLU A 914 -0.785 -39.127 4.668 1.00 34.11 C ATOM 2007 CG GLU A 914 0.434 -39.184 3.746 1.00 61.21 C ATOM 2008 CD GLU A 914 0.205 -40.164 2.593 1.00 15.04 C ATOM 2009 OE1 GLU A 914 1.173 -40.660 1.999 1.00 23.44 O ATOM 2010 OE2 GLU A 914 -1.033 -40.406 2.322 1.00 51.23 O ATOM 0 H GLU A 914 0.033 -36.430 4.767 1.00 74.32 H new ATOM 0 HA GLU A 914 -1.312 -38.346 6.579 1.00 23.11 H new ATOM 0 HB2 GLU A 914 -0.989 -40.120 5.069 1.00 34.11 H new ATOM 0 HB3 GLU A 914 -1.664 -38.827 4.097 1.00 34.11 H new ATOM 0 HG2 GLU A 914 0.640 -38.190 3.348 1.00 61.21 H new ATOM 0 HG3 GLU A 914 1.312 -39.487 4.316 1.00 61.21 H new ATOM 2018 N LYS A 915 0.984 -39.480 7.102 1.00 1.20 N ATOM 2019 CA LYS A 915 2.246 -39.801 7.746 1.00 22.34 C ATOM 2020 C LYS A 915 3.343 -39.907 6.685 1.00 22.12 C ATOM 2021 O LYS A 915 3.202 -40.647 5.713 1.00 22.41 O ATOM 2022 CB LYS A 915 2.103 -41.056 8.610 1.00 74.33 C ATOM 2023 CG LYS A 915 2.529 -42.306 7.836 1.00 14.30 C ATOM 2024 CD LYS A 915 1.597 -42.559 6.649 1.00 65.42 C ATOM 2025 CE LYS A 915 2.327 -43.306 5.530 1.00 34.31 C ATOM 2026 NZ LYS A 915 1.408 -44.247 4.851 1.00 60.22 N ATOM 0 H LYS A 915 0.260 -40.191 7.204 1.00 1.20 H new ATOM 0 HA LYS A 915 2.538 -39.003 8.429 1.00 22.34 H new ATOM 0 HB2 LYS A 915 2.712 -40.955 9.508 1.00 74.33 H new ATOM 0 HB3 LYS A 915 1.068 -41.161 8.937 1.00 74.33 H new ATOM 0 HG2 LYS A 915 3.553 -42.187 7.481 1.00 14.30 H new ATOM 0 HG3 LYS A 915 2.521 -43.170 8.500 1.00 14.30 H new ATOM 0 HD2 LYS A 915 0.734 -43.139 6.976 1.00 65.42 H new ATOM 0 HD3 LYS A 915 1.218 -41.610 6.271 1.00 65.42 H new ATOM 0 HE2 LYS A 915 2.726 -42.593 4.808 1.00 34.31 H new ATOM 0 HE3 LYS A 915 3.176 -43.851 5.942 1.00 34.31 H new ATOM 0 HZ1 LYS A 915 1.918 -44.746 4.095 1.00 60.22 H new ATOM 0 HZ2 LYS A 915 1.048 -44.938 5.540 1.00 60.22 H new ATOM 0 HZ3 LYS A 915 0.611 -43.719 4.441 1.00 60.22 H new ATOM 2039 N ILE A 916 4.412 -39.156 6.908 1.00 53.13 N ATOM 2040 CA ILE A 916 5.532 -39.156 5.983 1.00 43.13 C ATOM 2041 C ILE A 916 6.840 -39.252 6.772 1.00 55.30 C ATOM 2042 O ILE A 916 6.966 -38.663 7.845 1.00 73.43 O ATOM 2043 CB ILE A 916 5.462 -37.941 5.055 1.00 15.03 C ATOM 2044 CG1 ILE A 916 4.198 -37.983 4.193 1.00 44.52 C ATOM 2045 CG2 ILE A 916 6.730 -37.823 4.208 1.00 23.05 C ATOM 2046 CD1 ILE A 916 3.650 -36.574 3.955 1.00 3.00 C ATOM 0 H ILE A 916 4.526 -38.544 7.716 1.00 53.13 H new ATOM 0 HA ILE A 916 5.487 -40.029 5.331 1.00 43.13 H new ATOM 0 HB ILE A 916 5.403 -37.044 5.671 1.00 15.03 H new ATOM 0 HG12 ILE A 916 4.421 -38.457 3.237 1.00 44.52 H new ATOM 0 HG13 ILE A 916 3.440 -38.594 4.682 1.00 44.52 H new ATOM 0 HG21 ILE A 916 6.653 -36.951 3.558 1.00 23.05 H new ATOM 0 HG22 ILE A 916 7.595 -37.713 4.862 1.00 23.05 H new ATOM 0 HG23 ILE A 916 6.846 -38.720 3.600 1.00 23.05 H new ATOM 0 HD11 ILE A 916 2.752 -36.632 3.340 1.00 3.00 H new ATOM 0 HD12 ILE A 916 3.405 -36.112 4.912 1.00 3.00 H new ATOM 0 HD13 ILE A 916 4.402 -35.973 3.444 1.00 3.00 H new ATOM 2058 N PRO A 917 7.804 -40.018 6.195 1.00 2.53 N ATOM 2059 CA PRO A 917 9.097 -40.198 6.833 1.00 22.11 C ATOM 2060 C PRO A 917 9.960 -38.942 6.689 1.00 35.45 C ATOM 2061 O PRO A 917 10.286 -38.533 5.576 1.00 14.14 O ATOM 2062 CB PRO A 917 9.704 -41.416 6.155 1.00 14.13 C ATOM 2063 CG PRO A 917 8.939 -41.592 4.853 1.00 4.12 C ATOM 2064 CD PRO A 917 7.690 -40.729 4.926 1.00 60.23 C ATOM 0 HA PRO A 917 9.017 -40.355 7.909 1.00 22.11 H new ATOM 0 HB2 PRO A 917 10.767 -41.269 5.966 1.00 14.13 H new ATOM 0 HB3 PRO A 917 9.611 -42.301 6.785 1.00 14.13 H new ATOM 0 HG2 PRO A 917 9.557 -41.298 4.004 1.00 4.12 H new ATOM 0 HG3 PRO A 917 8.672 -42.638 4.706 1.00 4.12 H new ATOM 0 HD2 PRO A 917 7.639 -40.035 4.087 1.00 60.23 H new ATOM 0 HD3 PRO A 917 6.786 -41.337 4.893 1.00 60.23 H new ATOM 2072 N PHE A 918 10.304 -38.366 7.832 1.00 64.43 N ATOM 2073 CA PHE A 918 11.123 -37.166 7.847 1.00 12.23 C ATOM 2074 C PHE A 918 12.399 -37.361 7.026 1.00 72.21 C ATOM 2075 O PHE A 918 13.365 -37.953 7.505 1.00 50.12 O ATOM 2076 CB PHE A 918 11.504 -36.903 9.305 1.00 22.45 C ATOM 2077 CG PHE A 918 11.740 -35.427 9.631 1.00 64.20 C ATOM 2078 CD1 PHE A 918 12.910 -34.831 9.275 1.00 53.14 C ATOM 2079 CD2 PHE A 918 10.781 -34.711 10.277 1.00 62.33 C ATOM 2080 CE1 PHE A 918 13.129 -33.461 9.577 1.00 51.13 C ATOM 2081 CE2 PHE A 918 11.001 -33.341 10.579 1.00 75.22 C ATOM 2082 CZ PHE A 918 12.170 -32.745 10.222 1.00 12.04 C ATOM 0 H PHE A 918 10.031 -38.708 8.753 1.00 64.43 H new ATOM 0 HA PHE A 918 10.569 -36.333 7.414 1.00 12.23 H new ATOM 0 HB2 PHE A 918 10.713 -37.285 9.951 1.00 22.45 H new ATOM 0 HB3 PHE A 918 12.408 -37.465 9.541 1.00 22.45 H new ATOM 0 HD1 PHE A 918 13.672 -35.400 8.763 1.00 53.14 H new ATOM 0 HD2 PHE A 918 9.852 -35.184 10.560 1.00 62.33 H new ATOM 0 HE1 PHE A 918 14.058 -32.988 9.294 1.00 51.13 H new ATOM 0 HE2 PHE A 918 10.240 -32.772 11.092 1.00 75.22 H new ATOM 0 HZ PHE A 918 12.337 -31.703 10.451 1.00 12.04 H new ATOM 2092 N ASP A 919 12.361 -36.853 5.803 1.00 11.31 N ATOM 2093 CA ASP A 919 13.502 -36.964 4.911 1.00 42.04 C ATOM 2094 C ASP A 919 14.676 -36.171 5.489 1.00 13.31 C ATOM 2095 O ASP A 919 14.541 -34.985 5.787 1.00 45.25 O ATOM 2096 CB ASP A 919 13.179 -36.391 3.529 1.00 3.34 C ATOM 2097 CG ASP A 919 12.586 -37.392 2.536 1.00 14.14 C ATOM 2098 OD1 ASP A 919 11.970 -38.393 2.930 1.00 33.44 O ATOM 2099 OD2 ASP A 919 12.779 -37.107 1.293 1.00 1.23 O ATOM 0 H ASP A 919 11.558 -36.363 5.409 1.00 11.31 H new ATOM 0 HA ASP A 919 13.752 -38.021 4.814 1.00 42.04 H new ATOM 0 HB2 ASP A 919 12.479 -35.564 3.650 1.00 3.34 H new ATOM 0 HB3 ASP A 919 14.092 -35.976 3.102 1.00 3.34 H new ATOM 2105 N PRO A 920 15.830 -36.876 5.635 1.00 14.41 N ATOM 2106 CA PRO A 920 17.026 -36.250 6.173 1.00 72.13 C ATOM 2107 C PRO A 920 17.677 -35.332 5.137 1.00 42.23 C ATOM 2108 O PRO A 920 18.465 -34.455 5.488 1.00 42.15 O ATOM 2109 CB PRO A 920 17.921 -37.406 6.589 1.00 41.25 C ATOM 2110 CG PRO A 920 17.398 -38.626 5.847 1.00 3.35 C ATOM 2111 CD PRO A 920 16.025 -38.282 5.294 1.00 43.54 C ATOM 0 HA PRO A 920 16.816 -35.601 7.023 1.00 72.13 H new ATOM 0 HB2 PRO A 920 18.961 -37.208 6.330 1.00 41.25 H new ATOM 0 HB3 PRO A 920 17.885 -37.560 7.668 1.00 41.25 H new ATOM 0 HG2 PRO A 920 18.077 -38.902 5.040 1.00 3.35 H new ATOM 0 HG3 PRO A 920 17.336 -39.483 6.518 1.00 3.35 H new ATOM 0 HD2 PRO A 920 15.982 -38.438 4.216 1.00 43.54 H new ATOM 0 HD3 PRO A 920 15.251 -38.908 5.738 1.00 43.54 H new ATOM 2119 N ALA A 921 17.324 -35.565 3.881 1.00 12.42 N ATOM 2120 CA ALA A 921 17.864 -34.769 2.792 1.00 60.11 C ATOM 2121 C ALA A 921 17.382 -33.324 2.934 1.00 43.12 C ATOM 2122 O ALA A 921 17.931 -32.419 2.308 1.00 41.54 O ATOM 2123 CB ALA A 921 17.457 -35.391 1.455 1.00 54.14 C ATOM 0 H ALA A 921 16.671 -36.294 3.594 1.00 12.42 H new ATOM 0 HA ALA A 921 18.953 -34.758 2.828 1.00 60.11 H new ATOM 0 HB1 ALA A 921 17.862 -34.794 0.638 1.00 54.14 H new ATOM 0 HB2 ALA A 921 17.849 -36.406 1.392 1.00 54.14 H new ATOM 0 HB3 ALA A 921 16.370 -35.417 1.382 1.00 54.14 H new ATOM 2129 N GLU A 922 16.361 -33.153 3.761 1.00 45.42 N ATOM 2130 CA GLU A 922 15.800 -31.833 3.993 1.00 54.11 C ATOM 2131 C GLU A 922 16.280 -31.280 5.337 1.00 74.44 C ATOM 2132 O GLU A 922 16.264 -30.070 5.555 1.00 33.15 O ATOM 2133 CB GLU A 922 14.271 -31.869 3.929 1.00 4.42 C ATOM 2134 CG GLU A 922 13.788 -32.951 2.962 1.00 41.34 C ATOM 2135 CD GLU A 922 12.456 -32.557 2.320 1.00 60.20 C ATOM 2136 OE1 GLU A 922 11.446 -33.249 2.515 1.00 14.13 O ATOM 2137 OE2 GLU A 922 12.494 -31.490 1.597 1.00 55.34 O ATOM 0 H GLU A 922 15.908 -33.906 4.278 1.00 45.42 H new ATOM 0 HA GLU A 922 16.149 -31.167 3.204 1.00 54.11 H new ATOM 0 HB2 GLU A 922 13.866 -32.058 4.923 1.00 4.42 H new ATOM 0 HB3 GLU A 922 13.894 -30.897 3.611 1.00 4.42 H new ATOM 0 HG2 GLU A 922 14.537 -33.111 2.186 1.00 41.34 H new ATOM 0 HG3 GLU A 922 13.674 -33.895 3.494 1.00 41.34 H new ATOM 2145 N MET A 923 16.695 -32.194 6.201 1.00 20.15 N ATOM 2146 CA MET A 923 17.179 -31.813 7.518 1.00 73.43 C ATOM 2147 C MET A 923 18.568 -31.179 7.429 1.00 0.30 C ATOM 2148 O MET A 923 18.903 -30.296 8.218 1.00 31.50 O ATOM 2149 CB MET A 923 17.239 -33.050 8.417 1.00 55.20 C ATOM 2150 CG MET A 923 17.629 -32.670 9.847 1.00 44.54 C ATOM 2151 SD MET A 923 16.170 -32.260 10.790 1.00 45.32 S ATOM 2152 CE MET A 923 15.768 -33.868 11.452 1.00 54.32 C ATOM 0 H MET A 923 16.706 -33.197 6.016 1.00 20.15 H new ATOM 0 HA MET A 923 16.492 -31.079 7.939 1.00 73.43 H new ATOM 0 HB2 MET A 923 16.270 -33.549 8.421 1.00 55.20 H new ATOM 0 HB3 MET A 923 17.961 -33.761 8.016 1.00 55.20 H new ATOM 0 HG2 MET A 923 18.157 -33.497 10.321 1.00 44.54 H new ATOM 0 HG3 MET A 923 18.313 -31.821 9.833 1.00 44.54 H new ATOM 0 HE1 MET A 923 14.738 -33.867 11.809 1.00 54.32 H new ATOM 0 HE2 MET A 923 15.881 -34.621 10.672 1.00 54.32 H new ATOM 0 HE3 MET A 923 16.439 -34.099 12.279 1.00 54.32 H new ATOM 2162 N SER A 924 19.339 -31.652 6.462 1.00 63.55 N ATOM 2163 CA SER A 924 20.685 -31.142 6.259 1.00 33.34 C ATOM 2164 C SER A 924 21.051 -31.205 4.775 1.00 15.31 C ATOM 2165 O SER A 924 20.542 -32.051 4.042 1.00 72.03 O ATOM 2166 CB SER A 924 21.702 -31.927 7.090 1.00 31.12 C ATOM 2167 OG SER A 924 21.352 -33.304 7.201 1.00 32.11 O ATOM 0 H SER A 924 19.058 -32.384 5.809 1.00 63.55 H new ATOM 0 HA SER A 924 20.710 -30.103 6.589 1.00 33.34 H new ATOM 0 HB2 SER A 924 22.688 -31.839 6.634 1.00 31.12 H new ATOM 0 HB3 SER A 924 21.772 -31.489 8.086 1.00 31.12 H new ATOM 0 HG SER A 924 22.027 -33.771 7.737 1.00 32.11 H new ATOM 2173 N LYS A 925 21.930 -30.297 4.377 1.00 70.44 N ATOM 2174 CA LYS A 925 22.370 -30.239 2.993 1.00 52.50 C ATOM 2175 C LYS A 925 22.765 -31.642 2.528 1.00 41.51 C ATOM 2176 O LYS A 925 23.712 -31.801 1.760 1.00 44.24 O ATOM 2177 CB LYS A 925 23.481 -29.200 2.828 1.00 42.02 C ATOM 2178 CG LYS A 925 23.676 -28.835 1.355 1.00 52.23 C ATOM 2179 CD LYS A 925 24.258 -27.427 1.211 1.00 30.21 C ATOM 2180 CE LYS A 925 25.655 -27.346 1.829 1.00 63.21 C ATOM 2181 NZ LYS A 925 26.656 -27.966 0.931 1.00 34.24 N ATOM 0 H LYS A 925 22.349 -29.596 4.988 1.00 70.44 H new ATOM 0 HA LYS A 925 21.556 -29.907 2.348 1.00 52.50 H new ATOM 0 HB2 LYS A 925 23.234 -28.305 3.399 1.00 42.02 H new ATOM 0 HB3 LYS A 925 24.413 -29.591 3.236 1.00 42.02 H new ATOM 0 HG2 LYS A 925 24.342 -29.557 0.883 1.00 52.23 H new ATOM 0 HG3 LYS A 925 22.721 -28.893 0.833 1.00 52.23 H new ATOM 0 HD2 LYS A 925 24.307 -27.156 0.156 1.00 30.21 H new ATOM 0 HD3 LYS A 925 23.600 -26.706 1.696 1.00 30.21 H new ATOM 0 HE2 LYS A 925 25.918 -26.304 2.012 1.00 63.21 H new ATOM 0 HE3 LYS A 925 25.662 -27.851 2.795 1.00 63.21 H new ATOM 0 HZ1 LYS A 925 27.599 -27.902 1.366 1.00 34.24 H new ATOM 0 HZ2 LYS A 925 26.412 -28.965 0.777 1.00 34.24 H new ATOM 0 HZ3 LYS A 925 26.661 -27.466 0.019 1.00 34.24 H new TER 2194 LYS A 925