USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1094 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 830 HIS : no HE2:sc= -8.98! C(o=-9.1!,f=-9.2!) USER MOD Set 1.2: A 879 TYR OH : rot -164:sc= -0.164 USER MOD Set 2.1: A 812 LYS NZ :NH3+ -177:sc= 0.732 (180deg=0) USER MOD Set 2.2: A 868 ASN : amide:sc= -0.653 X(o=-9.5,f=-9.1) USER MOD Set 2.3: A 871 HIS : no HD1:sc= -9.6! C(o=-9.5!,f=-10!) USER MOD Set 3.1: A 807 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 819 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 806 LYS NZ :NH3+ 147:sc= 1.36 (180deg=-0.561) USER MOD Set 4.2: A 912 HIS : no HD1:sc= 0.00204 K(o=1.4,f=-8.2!) USER MOD Single : A 793 SER OG : rot 180:sc= 0 USER MOD Single : A 794 GLN : amide:sc= -0.0173 K(o=-0.017,f=-1.6!) USER MOD Single : A 796 LYS NZ :NH3+ 147:sc= 0.186 (180deg=-1.9!) USER MOD Single : A 798 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 803 LYS NZ :NH3+ -157:sc= -0.116 (180deg=-0.665) USER MOD Single : A 805 ASN : amide:sc= -5! C(o=-5!,f=-2.5!) USER MOD Single : A 810 CYS SG : rot 150:sc= -1.74! USER MOD Single : A 813 CYS SG : rot 180:sc= 0.00756 USER MOD Single : A 814 LYS NZ :NH3+ -162:sc= -0.0117 (180deg=-0.247) USER MOD Single : A 818 CYS SG : rot 180:sc= -0.152 USER MOD Single : A 820 THR OG1 : rot 128:sc= 1.16 USER MOD Single : A 829 CYS SG : rot -25:sc= 0.136 USER MOD Single : A 831 TYR OH : rot 44:sc= -2.78! USER MOD Single : A 832 THR OG1 : rot 180:sc= 0 USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 CYS SG : rot 82:sc= 0.0513 USER MOD Single : A 844 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 847 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 849 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 851 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 852 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.59) USER MOD Single : A 854 SER OG : rot 180:sc= 0.116 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 858 LYS NZ :NH3+ 137:sc= -8.42! (180deg=-10.7!) USER MOD Single : A 861 LYS NZ :NH3+ -142:sc= -2.28! (180deg=-4.7!) USER MOD Single : A 864 CYS SG : rot 14:sc= -1.5 USER MOD Single : A 867 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.9!) USER MOD Single : A 869 CYS SG : rot 180:sc= 0 USER MOD Single : A 870 SER OG : rot 180:sc= 0 USER MOD Single : A 876 HIS : no HE2:sc= -4.56! C(o=-4.6!,f=-4.3!) USER MOD Single : A 878 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.692) USER MOD Single : A 880 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.252) USER MOD Single : A 881 THR OG1 : rot 180:sc= 0 USER MOD Single : A 888 LYS NZ :NH3+ 160:sc= 1.15 (180deg=0.966) USER MOD Single : A 891 SER OG : rot 130:sc= -0.0893 USER MOD Single : A 899 THR OG1 : rot -154:sc= -7.98! USER MOD Single : A 902 GLN : amide:sc= -3.96! K(o=-4!,f=-0.13) USER MOD Single : A 903 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 905 TYR OH : rot 30:sc= -0.115 USER MOD Single : A 906 SER OG : rot 180:sc= 0 USER MOD Single : A 907 LYS NZ :NH3+ -113:sc= -0.217 (180deg=-0.512) 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 -169:sc= -10.7! (180deg=-11.3!) USER MOD Single : A 924 SER OG : rot 180:sc= -0.0119 USER MOD Single : A 925 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0404) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 792 -14.884 1.352 0.830 1.00 23.00 N ATOM 2 CA ASP A 792 -14.380 0.491 -0.226 1.00 62.32 C ATOM 3 C ASP A 792 -12.851 0.551 -0.242 1.00 31.25 C ATOM 4 O ASP A 792 -12.268 1.631 -0.163 1.00 20.11 O ATOM 5 CB ASP A 792 -14.885 0.947 -1.597 1.00 23.45 C ATOM 6 CG ASP A 792 -15.144 2.449 -1.723 1.00 11.21 C ATOM 7 OD1 ASP A 792 -16.231 2.940 -1.385 1.00 14.23 O ATOM 8 OD2 ASP A 792 -14.160 3.134 -2.198 1.00 42.31 O ATOM 0 HA ASP A 792 -14.731 -0.522 -0.031 1.00 62.32 H new ATOM 0 HB2 ASP A 792 -14.155 0.655 -2.352 1.00 23.45 H new ATOM 0 HB3 ASP A 792 -15.808 0.414 -1.823 1.00 23.45 H new ATOM 14 N SER A 793 -12.246 -0.623 -0.343 1.00 64.24 N ATOM 15 CA SER A 793 -10.796 -0.718 -0.370 1.00 42.21 C ATOM 16 C SER A 793 -10.319 -1.055 -1.784 1.00 54.14 C ATOM 17 O SER A 793 -9.180 -0.765 -2.145 1.00 24.31 O ATOM 18 CB SER A 793 -10.294 -1.768 0.623 1.00 10.54 C ATOM 19 OG SER A 793 -10.448 -1.341 1.974 1.00 14.13 O ATOM 0 H SER A 793 -12.733 -1.517 -0.407 1.00 64.24 H new ATOM 0 HA SER A 793 -10.385 0.248 -0.075 1.00 42.21 H new ATOM 0 HB2 SER A 793 -10.840 -2.699 0.473 1.00 10.54 H new ATOM 0 HB3 SER A 793 -9.243 -1.979 0.427 1.00 10.54 H new ATOM 0 HG SER A 793 -10.118 -2.039 2.577 1.00 14.13 H new ATOM 25 N GLN A 794 -11.216 -1.662 -2.547 1.00 72.43 N ATOM 26 CA GLN A 794 -10.902 -2.042 -3.914 1.00 62.12 C ATOM 27 C GLN A 794 -9.948 -3.239 -3.927 1.00 13.32 C ATOM 28 O GLN A 794 -9.071 -3.329 -4.784 1.00 42.40 O ATOM 29 CB GLN A 794 -10.311 -0.862 -4.689 1.00 33.40 C ATOM 30 CG GLN A 794 -11.078 0.428 -4.391 1.00 70.25 C ATOM 31 CD GLN A 794 -10.780 1.498 -5.444 1.00 20.31 C ATOM 32 OE1 GLN A 794 -10.068 1.274 -6.409 1.00 55.25 O ATOM 33 NE2 GLN A 794 -11.362 2.669 -5.204 1.00 53.23 N ATOM 0 H GLN A 794 -12.161 -1.900 -2.244 1.00 72.43 H new ATOM 0 HA GLN A 794 -11.827 -2.334 -4.411 1.00 62.12 H new ATOM 0 HB2 GLN A 794 -9.262 -0.736 -4.422 1.00 33.40 H new ATOM 0 HB3 GLN A 794 -10.345 -1.071 -5.758 1.00 33.40 H new ATOM 0 HG2 GLN A 794 -12.148 0.222 -4.369 1.00 70.25 H new ATOM 0 HG3 GLN A 794 -10.804 0.798 -3.403 1.00 70.25 H new ATOM 0 HE21 GLN A 794 -11.946 2.788 -4.376 1.00 53.23 H new ATOM 0 HE22 GLN A 794 -11.224 3.448 -5.848 1.00 53.23 H new ATOM 42 N GLU A 795 -10.153 -4.128 -2.966 1.00 3.30 N ATOM 43 CA GLU A 795 -9.322 -5.315 -2.856 1.00 11.13 C ATOM 44 C GLU A 795 -9.960 -6.481 -3.614 1.00 22.04 C ATOM 45 O GLU A 795 -11.183 -6.611 -3.645 1.00 45.03 O ATOM 46 CB GLU A 795 -9.080 -5.681 -1.390 1.00 11.50 C ATOM 47 CG GLU A 795 -8.088 -6.839 -1.271 1.00 31.35 C ATOM 48 CD GLU A 795 -7.708 -7.087 0.191 1.00 61.13 C ATOM 49 OE1 GLU A 795 -6.965 -6.289 0.782 1.00 73.21 O ATOM 50 OE2 GLU A 795 -8.214 -8.153 0.713 1.00 52.44 O ATOM 0 H GLU A 795 -10.882 -4.050 -2.257 1.00 3.30 H new ATOM 0 HA GLU A 795 -8.353 -5.100 -3.307 1.00 11.13 H new ATOM 0 HB2 GLU A 795 -8.697 -4.813 -0.853 1.00 11.50 H new ATOM 0 HB3 GLU A 795 -10.024 -5.956 -0.920 1.00 11.50 H new ATOM 0 HG2 GLU A 795 -8.526 -7.743 -1.695 1.00 31.35 H new ATOM 0 HG3 GLU A 795 -7.192 -6.616 -1.851 1.00 31.35 H new ATOM 58 N LYS A 796 -9.103 -7.300 -4.206 1.00 4.35 N ATOM 59 CA LYS A 796 -9.567 -8.451 -4.961 1.00 41.32 C ATOM 60 C LYS A 796 -8.815 -9.699 -4.494 1.00 51.23 C ATOM 61 O LYS A 796 -7.744 -9.596 -3.899 1.00 63.20 O ATOM 62 CB LYS A 796 -9.449 -8.188 -6.464 1.00 32.11 C ATOM 63 CG LYS A 796 -10.597 -7.305 -6.958 1.00 32.33 C ATOM 64 CD LYS A 796 -11.793 -8.154 -7.394 1.00 31.22 C ATOM 65 CE LYS A 796 -12.874 -8.176 -6.311 1.00 22.20 C ATOM 66 NZ LYS A 796 -13.177 -6.802 -5.853 1.00 44.31 N ATOM 0 H LYS A 796 -8.089 -7.189 -4.178 1.00 4.35 H new ATOM 0 HA LYS A 796 -10.626 -8.628 -4.774 1.00 41.32 H new ATOM 0 HB2 LYS A 796 -8.496 -7.705 -6.679 1.00 32.11 H new ATOM 0 HB3 LYS A 796 -9.455 -9.135 -7.004 1.00 32.11 H new ATOM 0 HG2 LYS A 796 -10.901 -6.621 -6.166 1.00 32.33 H new ATOM 0 HG3 LYS A 796 -10.257 -6.693 -7.794 1.00 32.33 H new ATOM 0 HD2 LYS A 796 -12.208 -7.755 -8.319 1.00 31.22 H new ATOM 0 HD3 LYS A 796 -11.464 -9.171 -7.605 1.00 31.22 H new ATOM 0 HE2 LYS A 796 -13.778 -8.643 -6.701 1.00 22.20 H new ATOM 0 HE3 LYS A 796 -12.540 -8.781 -5.468 1.00 22.20 H new ATOM 0 HZ1 LYS A 796 -14.182 -6.736 -5.595 1.00 44.31 H new ATOM 0 HZ2 LYS A 796 -12.591 -6.575 -5.024 1.00 44.31 H new ATOM 0 HZ3 LYS A 796 -12.971 -6.128 -6.618 1.00 44.31 H new ATOM 79 N PRO A 797 -9.422 -10.879 -4.790 1.00 31.53 N ATOM 80 CA PRO A 797 -8.822 -12.146 -4.407 1.00 22.01 C ATOM 81 C PRO A 797 -7.638 -12.488 -5.314 1.00 22.04 C ATOM 82 O PRO A 797 -7.409 -11.820 -6.321 1.00 35.01 O ATOM 83 CB PRO A 797 -9.951 -13.160 -4.496 1.00 41.44 C ATOM 84 CG PRO A 797 -11.019 -12.518 -5.368 1.00 25.31 C ATOM 85 CD PRO A 797 -10.691 -11.039 -5.493 1.00 72.35 C ATOM 0 HA PRO A 797 -8.402 -12.125 -3.401 1.00 22.01 H new ATOM 0 HB2 PRO A 797 -9.602 -14.096 -4.931 1.00 41.44 H new ATOM 0 HB3 PRO A 797 -10.344 -13.395 -3.507 1.00 41.44 H new ATOM 0 HG2 PRO A 797 -11.043 -12.988 -6.351 1.00 25.31 H new ATOM 0 HG3 PRO A 797 -12.006 -12.654 -4.926 1.00 25.31 H new ATOM 0 HD2 PRO A 797 -10.605 -10.740 -6.538 1.00 72.35 H new ATOM 0 HD3 PRO A 797 -11.471 -10.422 -5.047 1.00 72.35 H new ATOM 93 N LYS A 798 -6.916 -13.528 -4.924 1.00 20.35 N ATOM 94 CA LYS A 798 -5.761 -13.967 -5.689 1.00 33.33 C ATOM 95 C LYS A 798 -5.904 -15.456 -6.010 1.00 71.32 C ATOM 96 O LYS A 798 -6.706 -16.154 -5.392 1.00 73.31 O ATOM 97 CB LYS A 798 -4.466 -13.618 -4.952 1.00 74.52 C ATOM 98 CG LYS A 798 -4.075 -14.729 -3.976 1.00 21.44 C ATOM 99 CD LYS A 798 -5.057 -14.801 -2.804 1.00 62.04 C ATOM 100 CE LYS A 798 -4.369 -15.329 -1.544 1.00 31.40 C ATOM 101 NZ LYS A 798 -5.364 -15.578 -0.476 1.00 44.24 N ATOM 0 H LYS A 798 -7.108 -14.080 -4.088 1.00 20.35 H new ATOM 0 HA LYS A 798 -5.711 -13.438 -6.641 1.00 33.33 H new ATOM 0 HB2 LYS A 798 -3.663 -13.463 -5.673 1.00 74.52 H new ATOM 0 HB3 LYS A 798 -4.593 -12.681 -4.410 1.00 74.52 H new ATOM 0 HG2 LYS A 798 -4.055 -15.686 -4.498 1.00 21.44 H new ATOM 0 HG3 LYS A 798 -3.068 -14.550 -3.600 1.00 21.44 H new ATOM 0 HD2 LYS A 798 -5.470 -13.811 -2.610 1.00 62.04 H new ATOM 0 HD3 LYS A 798 -5.893 -15.450 -3.065 1.00 62.04 H new ATOM 0 HE2 LYS A 798 -3.835 -16.251 -1.773 1.00 31.40 H new ATOM 0 HE3 LYS A 798 -3.628 -14.608 -1.198 1.00 31.40 H new ATOM 0 HZ1 LYS A 798 -4.880 -15.936 0.372 1.00 44.24 H new ATOM 0 HZ2 LYS A 798 -5.856 -14.691 -0.246 1.00 44.24 H new ATOM 0 HZ3 LYS A 798 -6.056 -16.282 -0.803 1.00 44.24 H new ATOM 114 N PRO A 799 -5.092 -15.910 -7.002 1.00 75.45 N ATOM 115 CA PRO A 799 -5.121 -17.304 -7.414 1.00 4.34 C ATOM 116 C PRO A 799 -4.419 -18.193 -6.385 1.00 62.12 C ATOM 117 O PRO A 799 -3.955 -17.709 -5.354 1.00 44.23 O ATOM 118 CB PRO A 799 -4.447 -17.326 -8.776 1.00 11.40 C ATOM 119 CG PRO A 799 -3.656 -16.031 -8.871 1.00 23.34 C ATOM 120 CD PRO A 799 -4.130 -15.112 -7.757 1.00 31.54 C ATOM 0 HA PRO A 799 -6.133 -17.703 -7.479 1.00 4.34 H new ATOM 0 HB2 PRO A 799 -3.792 -18.192 -8.874 1.00 11.40 H new ATOM 0 HB3 PRO A 799 -5.185 -17.393 -9.576 1.00 11.40 H new ATOM 0 HG2 PRO A 799 -2.588 -16.228 -8.775 1.00 23.34 H new ATOM 0 HG3 PRO A 799 -3.807 -15.562 -9.843 1.00 23.34 H new ATOM 0 HD2 PRO A 799 -3.300 -14.792 -7.127 1.00 31.54 H new ATOM 0 HD3 PRO A 799 -4.592 -14.210 -8.158 1.00 31.54 H new ATOM 128 N VAL A 800 -4.363 -19.478 -6.702 1.00 35.53 N ATOM 129 CA VAL A 800 -3.726 -20.440 -5.818 1.00 50.02 C ATOM 130 C VAL A 800 -2.285 -20.671 -6.278 1.00 31.22 C ATOM 131 O VAL A 800 -2.024 -20.803 -7.473 1.00 14.34 O ATOM 132 CB VAL A 800 -4.550 -21.728 -5.764 1.00 53.13 C ATOM 133 CG1 VAL A 800 -3.671 -22.927 -5.403 1.00 12.32 C ATOM 134 CG2 VAL A 800 -5.719 -21.590 -4.787 1.00 32.23 C ATOM 0 H VAL A 800 -4.748 -19.876 -7.559 1.00 35.53 H new ATOM 0 HA VAL A 800 -3.685 -20.054 -4.799 1.00 50.02 H new ATOM 0 HB VAL A 800 -4.963 -21.904 -6.757 1.00 53.13 H new ATOM 0 HG11 VAL A 800 -4.282 -23.829 -5.371 1.00 12.32 H new ATOM 0 HG12 VAL A 800 -2.889 -23.044 -6.153 1.00 12.32 H new ATOM 0 HG13 VAL A 800 -3.215 -22.763 -4.427 1.00 12.32 H new ATOM 0 HG21 VAL A 800 -6.289 -22.519 -4.768 1.00 32.23 H new ATOM 0 HG22 VAL A 800 -5.336 -21.378 -3.789 1.00 32.23 H new ATOM 0 HG23 VAL A 800 -6.367 -20.774 -5.108 1.00 32.23 H new ATOM 144 N PRO A 801 -1.363 -20.715 -5.279 1.00 13.11 N ATOM 145 CA PRO A 801 0.045 -20.928 -5.568 1.00 55.15 C ATOM 146 C PRO A 801 0.315 -22.390 -5.929 1.00 61.10 C ATOM 147 O PRO A 801 0.326 -22.751 -7.105 1.00 31.43 O ATOM 148 CB PRO A 801 0.776 -20.480 -4.314 1.00 24.32 C ATOM 149 CG PRO A 801 -0.263 -20.472 -3.205 1.00 75.12 C ATOM 150 CD PRO A 801 -1.636 -20.563 -3.853 1.00 24.24 C ATOM 0 HA PRO A 801 0.387 -20.363 -6.435 1.00 55.15 H new ATOM 0 HB2 PRO A 801 1.595 -21.158 -4.076 1.00 24.32 H new ATOM 0 HB3 PRO A 801 1.211 -19.490 -4.449 1.00 24.32 H new ATOM 0 HG2 PRO A 801 -0.104 -21.311 -2.527 1.00 75.12 H new ATOM 0 HG3 PRO A 801 -0.181 -19.562 -2.611 1.00 75.12 H new ATOM 0 HD2 PRO A 801 -2.201 -21.410 -3.465 1.00 24.24 H new ATOM 0 HD3 PRO A 801 -2.227 -19.669 -3.656 1.00 24.24 H new ATOM 158 N ASP A 802 0.527 -23.192 -4.896 1.00 14.34 N ATOM 159 CA ASP A 802 0.796 -24.606 -5.089 1.00 22.43 C ATOM 160 C ASP A 802 -0.528 -25.358 -5.233 1.00 34.52 C ATOM 161 O ASP A 802 -1.597 -24.749 -5.222 1.00 23.13 O ATOM 162 CB ASP A 802 1.545 -25.193 -3.890 1.00 51.13 C ATOM 163 CG ASP A 802 3.013 -24.776 -3.778 1.00 14.24 C ATOM 164 OD1 ASP A 802 3.337 -23.731 -3.193 1.00 73.15 O ATOM 165 OD2 ASP A 802 3.853 -25.585 -4.328 1.00 41.13 O ATOM 0 H ASP A 802 0.518 -22.889 -3.922 1.00 14.34 H new ATOM 0 HA ASP A 802 1.408 -24.713 -5.985 1.00 22.43 H new ATOM 0 HB2 ASP A 802 1.028 -24.897 -2.977 1.00 51.13 H new ATOM 0 HB3 ASP A 802 1.495 -26.280 -3.946 1.00 51.13 H new ATOM 171 N LYS A 803 -0.415 -26.672 -5.365 1.00 0.12 N ATOM 172 CA LYS A 803 -1.590 -27.514 -5.511 1.00 13.40 C ATOM 173 C LYS A 803 -1.618 -28.544 -4.380 1.00 15.31 C ATOM 174 O LYS A 803 -0.577 -29.062 -3.981 1.00 45.41 O ATOM 175 CB LYS A 803 -1.635 -28.134 -6.909 1.00 4.11 C ATOM 176 CG LYS A 803 -0.933 -29.494 -6.928 1.00 13.41 C ATOM 177 CD LYS A 803 -0.191 -29.709 -8.248 1.00 73.44 C ATOM 178 CE LYS A 803 -1.169 -30.030 -9.381 1.00 12.33 C ATOM 179 NZ LYS A 803 -1.875 -31.302 -9.111 1.00 71.34 N ATOM 0 H LYS A 803 0.473 -27.174 -5.374 1.00 0.12 H new ATOM 0 HA LYS A 803 -2.499 -26.918 -5.423 1.00 13.40 H new ATOM 0 HB2 LYS A 803 -2.671 -28.251 -7.226 1.00 4.11 H new ATOM 0 HB3 LYS A 803 -1.157 -27.464 -7.624 1.00 4.11 H new ATOM 0 HG2 LYS A 803 -0.230 -29.556 -6.097 1.00 13.41 H new ATOM 0 HG3 LYS A 803 -1.666 -30.288 -6.785 1.00 13.41 H new ATOM 0 HD2 LYS A 803 0.380 -28.815 -8.498 1.00 73.44 H new ATOM 0 HD3 LYS A 803 0.525 -30.524 -8.139 1.00 73.44 H new ATOM 0 HE2 LYS A 803 -1.892 -29.221 -9.485 1.00 12.33 H new ATOM 0 HE3 LYS A 803 -0.630 -30.100 -10.326 1.00 12.33 H new ATOM 0 HZ1 LYS A 803 -2.219 -31.705 -10.006 1.00 71.34 H new ATOM 0 HZ2 LYS A 803 -1.221 -31.973 -8.658 1.00 71.34 H new ATOM 0 HZ3 LYS A 803 -2.681 -31.124 -8.479 1.00 71.34 H new ATOM 192 N GLU A 804 -2.822 -28.810 -3.895 1.00 54.00 N ATOM 193 CA GLU A 804 -3.000 -29.769 -2.818 1.00 0.22 C ATOM 194 C GLU A 804 -2.191 -29.344 -1.590 1.00 73.14 C ATOM 195 O GLU A 804 -1.693 -30.189 -0.848 1.00 41.03 O ATOM 196 CB GLU A 804 -2.612 -31.178 -3.269 1.00 32.40 C ATOM 197 CG GLU A 804 -3.165 -31.479 -4.664 1.00 24.23 C ATOM 198 CD GLU A 804 -4.655 -31.820 -4.601 1.00 40.33 C ATOM 199 OE1 GLU A 804 -5.469 -30.969 -4.213 1.00 35.32 O ATOM 200 OE2 GLU A 804 -4.957 -33.017 -4.976 1.00 1.23 O ATOM 0 H GLU A 804 -3.684 -28.378 -4.228 1.00 54.00 H new ATOM 0 HA GLU A 804 -4.055 -29.788 -2.545 1.00 0.22 H new ATOM 0 HB2 GLU A 804 -1.526 -31.276 -3.275 1.00 32.40 H new ATOM 0 HB3 GLU A 804 -2.994 -31.910 -2.557 1.00 32.40 H new ATOM 0 HG2 GLU A 804 -3.013 -30.617 -5.313 1.00 24.23 H new ATOM 0 HG3 GLU A 804 -2.616 -32.311 -5.105 1.00 24.23 H new ATOM 208 N ASN A 805 -2.086 -28.035 -1.415 1.00 33.14 N ATOM 209 CA ASN A 805 -1.347 -27.488 -0.290 1.00 23.02 C ATOM 210 C ASN A 805 -2.234 -26.495 0.464 1.00 62.21 C ATOM 211 O ASN A 805 -3.057 -25.810 -0.141 1.00 33.14 O ATOM 212 CB ASN A 805 -0.098 -26.742 -0.763 1.00 3.33 C ATOM 213 CG ASN A 805 0.399 -25.770 0.309 1.00 2.25 C ATOM 214 OD1 ASN A 805 0.600 -24.591 0.070 1.00 3.51 O ATOM 215 ND2 ASN A 805 0.585 -26.329 1.502 1.00 42.22 N ATOM 0 H ASN A 805 -2.500 -27.337 -2.033 1.00 33.14 H new ATOM 0 HA ASN A 805 -1.051 -28.316 0.354 1.00 23.02 H new ATOM 0 HB2 ASN A 805 0.688 -27.458 -1.003 1.00 3.33 H new ATOM 0 HB3 ASN A 805 -0.322 -26.195 -1.679 1.00 3.33 H new ATOM 0 HD21 ASN A 805 0.915 -25.764 2.284 1.00 42.22 H new ATOM 0 HD22 ASN A 805 0.398 -27.323 1.634 1.00 42.22 H new ATOM 222 N LYS A 806 -2.035 -26.449 1.773 1.00 14.00 N ATOM 223 CA LYS A 806 -2.807 -25.551 2.616 1.00 71.33 C ATOM 224 C LYS A 806 -1.852 -24.694 3.449 1.00 33.20 C ATOM 225 O LYS A 806 -0.739 -25.118 3.755 1.00 0.14 O ATOM 226 CB LYS A 806 -3.817 -26.338 3.453 1.00 20.53 C ATOM 227 CG LYS A 806 -4.235 -25.547 4.694 1.00 34.01 C ATOM 228 CD LYS A 806 -5.585 -26.034 5.226 1.00 51.25 C ATOM 229 CE LYS A 806 -5.640 -27.562 5.265 1.00 61.34 C ATOM 230 NZ LYS A 806 -6.836 -28.019 6.006 1.00 33.24 N ATOM 0 H LYS A 806 -1.351 -27.019 2.271 1.00 14.00 H new ATOM 0 HA LYS A 806 -3.398 -24.868 2.005 1.00 71.33 H new ATOM 0 HB2 LYS A 806 -4.696 -26.566 2.850 1.00 20.53 H new ATOM 0 HB3 LYS A 806 -3.381 -27.291 3.754 1.00 20.53 H new ATOM 0 HG2 LYS A 806 -3.476 -25.651 5.469 1.00 34.01 H new ATOM 0 HG3 LYS A 806 -4.297 -24.487 4.450 1.00 34.01 H new ATOM 0 HD2 LYS A 806 -5.751 -25.635 6.227 1.00 51.25 H new ATOM 0 HD3 LYS A 806 -6.388 -25.654 4.594 1.00 51.25 H new ATOM 0 HE2 LYS A 806 -5.661 -27.957 4.249 1.00 61.34 H new ATOM 0 HE3 LYS A 806 -4.740 -27.952 5.740 1.00 61.34 H new ATOM 0 HZ1 LYS A 806 -7.180 -28.910 5.594 1.00 33.24 H new ATOM 0 HZ2 LYS A 806 -6.588 -28.172 7.004 1.00 33.24 H new ATOM 0 HZ3 LYS A 806 -7.581 -27.297 5.941 1.00 33.24 H new ATOM 243 N LYS A 807 -2.323 -23.504 3.792 1.00 21.11 N ATOM 244 CA LYS A 807 -1.525 -22.584 4.584 1.00 2.41 C ATOM 245 C LYS A 807 -1.913 -22.716 6.058 1.00 74.41 C ATOM 246 O LYS A 807 -2.999 -23.200 6.376 1.00 1.42 O ATOM 247 CB LYS A 807 -1.653 -21.159 4.040 1.00 25.33 C ATOM 248 CG LYS A 807 -1.094 -20.140 5.035 1.00 23.34 C ATOM 249 CD LYS A 807 -1.165 -18.722 4.466 1.00 2.11 C ATOM 250 CE LYS A 807 -0.678 -18.688 3.016 1.00 75.32 C ATOM 251 NZ LYS A 807 -0.319 -17.308 2.622 1.00 53.35 N ATOM 0 H LYS A 807 -3.247 -23.156 3.536 1.00 21.11 H new ATOM 0 HA LYS A 807 -0.467 -22.836 4.509 1.00 2.41 H new ATOM 0 HB2 LYS A 807 -1.120 -21.078 3.093 1.00 25.33 H new ATOM 0 HB3 LYS A 807 -2.700 -20.937 3.836 1.00 25.33 H new ATOM 0 HG2 LYS A 807 -1.657 -20.190 5.967 1.00 23.34 H new ATOM 0 HG3 LYS A 807 -0.060 -20.389 5.273 1.00 23.34 H new ATOM 0 HD2 LYS A 807 -2.191 -18.357 4.518 1.00 2.11 H new ATOM 0 HD3 LYS A 807 -0.557 -18.052 5.073 1.00 2.11 H new ATOM 0 HE2 LYS A 807 0.187 -19.342 2.901 1.00 75.32 H new ATOM 0 HE3 LYS A 807 -1.457 -19.070 2.356 1.00 75.32 H new ATOM 0 HZ1 LYS A 807 0.009 -17.303 1.635 1.00 53.35 H new ATOM 0 HZ2 LYS A 807 -1.153 -16.693 2.712 1.00 53.35 H new ATOM 0 HZ3 LYS A 807 0.439 -16.956 3.241 1.00 53.35 H new ATOM 264 N LEU A 808 -1.006 -22.279 6.918 1.00 44.10 N ATOM 265 CA LEU A 808 -1.240 -22.343 8.351 1.00 42.34 C ATOM 266 C LEU A 808 -0.962 -20.972 8.970 1.00 11.40 C ATOM 267 O LEU A 808 -0.089 -20.241 8.504 1.00 71.22 O ATOM 268 CB LEU A 808 -0.425 -23.477 8.977 1.00 55.34 C ATOM 269 CG LEU A 808 -0.887 -24.897 8.643 1.00 3.01 C ATOM 270 CD1 LEU A 808 -0.180 -25.424 7.393 1.00 42.43 C ATOM 271 CD2 LEU A 808 -0.701 -25.829 9.842 1.00 72.41 C ATOM 0 H LEU A 808 -0.107 -21.879 6.650 1.00 44.10 H new ATOM 0 HA LEU A 808 -2.284 -22.581 8.556 1.00 42.34 H new ATOM 0 HB2 LEU A 808 0.613 -23.370 8.661 1.00 55.34 H new ATOM 0 HB3 LEU A 808 -0.442 -23.356 10.060 1.00 55.34 H new ATOM 0 HG LEU A 808 -1.954 -24.866 8.420 1.00 3.01 H new ATOM 0 HD11 LEU A 808 -0.527 -26.435 7.178 1.00 42.43 H new ATOM 0 HD12 LEU A 808 -0.406 -24.775 6.547 1.00 42.43 H new ATOM 0 HD13 LEU A 808 0.897 -25.438 7.563 1.00 42.43 H new ATOM 0 HD21 LEU A 808 -1.037 -26.832 9.579 1.00 72.41 H new ATOM 0 HD22 LEU A 808 0.353 -25.860 10.119 1.00 72.41 H new ATOM 0 HD23 LEU A 808 -1.286 -25.460 10.684 1.00 72.41 H new ATOM 283 N LEU A 809 -1.721 -20.663 10.011 1.00 31.53 N ATOM 284 CA LEU A 809 -1.568 -19.393 10.699 1.00 3.15 C ATOM 285 C LEU A 809 -1.385 -19.648 12.197 1.00 13.30 C ATOM 286 O LEU A 809 -1.684 -20.736 12.686 1.00 22.20 O ATOM 287 CB LEU A 809 -2.737 -18.462 10.372 1.00 44.30 C ATOM 288 CG LEU A 809 -2.530 -17.517 9.186 1.00 22.21 C ATOM 289 CD1 LEU A 809 -2.684 -18.262 7.859 1.00 41.03 C ATOM 290 CD2 LEU A 809 -3.465 -16.309 9.278 1.00 64.44 C ATOM 0 H LEU A 809 -2.444 -21.271 10.395 1.00 31.53 H new ATOM 0 HA LEU A 809 -0.673 -18.877 10.351 1.00 3.15 H new ATOM 0 HB2 LEU A 809 -3.618 -19.073 10.175 1.00 44.30 H new ATOM 0 HB3 LEU A 809 -2.956 -17.862 11.255 1.00 44.30 H new ATOM 0 HG LEU A 809 -1.509 -17.137 9.225 1.00 22.21 H new ATOM 0 HD11 LEU A 809 -2.532 -17.568 7.032 1.00 41.03 H new ATOM 0 HD12 LEU A 809 -1.945 -19.061 7.802 1.00 41.03 H new ATOM 0 HD13 LEU A 809 -3.685 -18.689 7.795 1.00 41.03 H new ATOM 0 HD21 LEU A 809 -3.298 -15.653 8.423 1.00 64.44 H new ATOM 0 HD22 LEU A 809 -4.500 -16.649 9.277 1.00 64.44 H new ATOM 0 HD23 LEU A 809 -3.264 -15.762 10.199 1.00 64.44 H new ATOM 302 N CYS A 810 -0.896 -18.626 12.883 1.00 0.54 N ATOM 303 CA CYS A 810 -0.670 -18.725 14.315 1.00 33.14 C ATOM 304 C CYS A 810 -1.801 -17.985 15.032 1.00 33.35 C ATOM 305 O CYS A 810 -1.900 -16.762 14.946 1.00 33.35 O ATOM 306 CB CYS A 810 0.706 -18.185 14.710 1.00 54.40 C ATOM 307 SG CYS A 810 1.339 -19.090 16.169 1.00 15.42 S ATOM 0 H CYS A 810 -0.650 -17.725 12.474 1.00 0.54 H new ATOM 0 HA CYS A 810 -0.675 -19.773 14.615 1.00 33.14 H new ATOM 0 HB2 CYS A 810 1.400 -18.291 13.877 1.00 54.40 H new ATOM 0 HB3 CYS A 810 0.637 -17.120 14.934 1.00 54.40 H new ATOM 0 HG CYS A 810 2.638 -19.132 16.124 1.00 15.42 H new ATOM 313 N ARG A 811 -2.626 -18.758 15.724 1.00 61.11 N ATOM 314 CA ARG A 811 -3.746 -18.191 16.456 1.00 71.45 C ATOM 315 C ARG A 811 -3.307 -16.933 17.207 1.00 52.22 C ATOM 316 O ARG A 811 -4.121 -16.050 17.475 1.00 62.14 O ATOM 317 CB ARG A 811 -4.318 -19.199 17.454 1.00 34.50 C ATOM 318 CG ARG A 811 -5.451 -18.577 18.273 1.00 72.40 C ATOM 319 CD ARG A 811 -6.208 -19.647 19.063 1.00 74.14 C ATOM 320 NE ARG A 811 -6.847 -19.041 20.252 1.00 52.20 N ATOM 321 CZ ARG A 811 -6.169 -18.596 21.331 1.00 30.23 C ATOM 322 NH1 ARG A 811 -4.823 -18.687 21.380 1.00 41.52 N ATOM 323 NH2 ARG A 811 -6.842 -18.072 22.339 1.00 40.24 N ATOM 0 H ARG A 811 -2.541 -19.772 15.793 1.00 61.11 H new ATOM 0 HA ARG A 811 -4.520 -17.934 15.732 1.00 71.45 H new ATOM 0 HB2 ARG A 811 -4.688 -20.074 16.920 1.00 34.50 H new ATOM 0 HB3 ARG A 811 -3.528 -19.543 18.122 1.00 34.50 H new ATOM 0 HG2 ARG A 811 -5.043 -17.834 18.959 1.00 72.40 H new ATOM 0 HG3 ARG A 811 -6.140 -18.054 17.609 1.00 72.40 H new ATOM 0 HD2 ARG A 811 -6.965 -20.111 18.430 1.00 74.14 H new ATOM 0 HD3 ARG A 811 -5.522 -20.436 19.371 1.00 74.14 H new ATOM 0 HE ARG A 811 -7.863 -18.954 20.257 1.00 52.20 H new ATOM 0 HH11 ARG A 811 -4.311 -19.094 20.598 1.00 41.52 H new ATOM 0 HH12 ARG A 811 -4.318 -18.348 22.199 1.00 41.52 H new ATOM 0 HH21 ARG A 811 -7.859 -18.008 22.295 1.00 40.24 H new ATOM 0 HH22 ARG A 811 -6.345 -17.731 23.162 1.00 40.24 H new ATOM 336 N LYS A 812 -2.022 -16.891 17.526 1.00 41.44 N ATOM 337 CA LYS A 812 -1.465 -15.755 18.241 1.00 52.23 C ATOM 338 C LYS A 812 -2.066 -14.463 17.683 1.00 4.43 C ATOM 339 O LYS A 812 -2.918 -13.845 18.320 1.00 72.24 O ATOM 340 CB LYS A 812 0.064 -15.791 18.197 1.00 72.30 C ATOM 341 CG LYS A 812 0.630 -16.521 19.417 1.00 51.20 C ATOM 342 CD LYS A 812 0.724 -15.583 20.622 1.00 50.31 C ATOM 343 CE LYS A 812 -0.537 -15.670 21.484 1.00 3.14 C ATOM 344 NZ LYS A 812 -0.208 -15.433 22.908 1.00 71.30 N ATOM 0 H LYS A 812 -1.350 -17.625 17.303 1.00 41.44 H new ATOM 0 HA LYS A 812 -1.731 -15.802 19.297 1.00 52.23 H new ATOM 0 HB2 LYS A 812 0.394 -16.289 17.285 1.00 72.30 H new ATOM 0 HB3 LYS A 812 0.455 -14.774 18.164 1.00 72.30 H new ATOM 0 HG2 LYS A 812 -0.005 -17.372 19.663 1.00 51.20 H new ATOM 0 HG3 LYS A 812 1.618 -16.917 19.182 1.00 51.20 H new ATOM 0 HD2 LYS A 812 1.597 -15.841 21.221 1.00 50.31 H new ATOM 0 HD3 LYS A 812 0.865 -14.558 20.279 1.00 50.31 H new ATOM 0 HE2 LYS A 812 -1.267 -14.935 21.146 1.00 3.14 H new ATOM 0 HE3 LYS A 812 -0.996 -16.652 21.369 1.00 3.14 H new ATOM 0 HZ1 LYS A 812 -1.065 -15.546 23.486 1.00 71.30 H new ATOM 0 HZ2 LYS A 812 0.510 -16.119 23.217 1.00 71.30 H new ATOM 0 HZ3 LYS A 812 0.162 -14.468 23.023 1.00 71.30 H new ATOM 357 N CYS A 813 -1.597 -14.092 16.501 1.00 40.12 N ATOM 358 CA CYS A 813 -2.077 -12.884 15.851 1.00 70.44 C ATOM 359 C CYS A 813 -2.612 -13.263 14.468 1.00 35.44 C ATOM 360 O CYS A 813 -2.716 -12.414 13.585 1.00 71.23 O ATOM 361 CB CYS A 813 -0.986 -11.815 15.766 1.00 22.34 C ATOM 362 SG CYS A 813 0.498 -12.499 14.943 1.00 63.41 S ATOM 0 H CYS A 813 -0.890 -14.606 15.976 1.00 40.12 H new ATOM 0 HA CYS A 813 -2.880 -12.444 16.443 1.00 70.44 H new ATOM 0 HB2 CYS A 813 -1.354 -10.952 15.212 1.00 22.34 H new ATOM 0 HB3 CYS A 813 -0.729 -11.466 16.766 1.00 22.34 H new ATOM 0 HG CYS A 813 1.417 -11.582 14.874 1.00 63.41 H new ATOM 368 N LYS A 814 -2.939 -14.540 14.325 1.00 43.50 N ATOM 369 CA LYS A 814 -3.461 -15.041 13.065 1.00 21.43 C ATOM 370 C LYS A 814 -2.524 -14.627 11.929 1.00 54.04 C ATOM 371 O LYS A 814 -2.906 -13.846 11.058 1.00 34.13 O ATOM 372 CB LYS A 814 -4.908 -14.587 12.866 1.00 33.13 C ATOM 373 CG LYS A 814 -5.596 -14.343 14.211 1.00 32.10 C ATOM 374 CD LYS A 814 -5.569 -15.604 15.078 1.00 44.43 C ATOM 375 CE LYS A 814 -6.668 -16.581 14.658 1.00 31.43 C ATOM 376 NZ LYS A 814 -7.996 -16.076 15.072 1.00 54.05 N ATOM 0 H LYS A 814 -2.852 -15.241 15.060 1.00 43.50 H new ATOM 0 HA LYS A 814 -3.492 -16.131 13.072 1.00 21.43 H new ATOM 0 HB2 LYS A 814 -4.928 -13.673 12.272 1.00 33.13 H new ATOM 0 HB3 LYS A 814 -5.456 -15.344 12.305 1.00 33.13 H new ATOM 0 HG2 LYS A 814 -5.099 -13.527 14.735 1.00 32.10 H new ATOM 0 HG3 LYS A 814 -6.628 -14.034 14.045 1.00 32.10 H new ATOM 0 HD2 LYS A 814 -4.596 -16.087 14.993 1.00 44.43 H new ATOM 0 HD3 LYS A 814 -5.700 -15.332 16.126 1.00 44.43 H new ATOM 0 HE2 LYS A 814 -6.646 -16.720 13.577 1.00 31.43 H new ATOM 0 HE3 LYS A 814 -6.487 -17.557 15.108 1.00 31.43 H new ATOM 0 HZ1 LYS A 814 -8.683 -16.857 15.063 1.00 54.05 H new ATOM 0 HZ2 LYS A 814 -7.933 -15.681 16.032 1.00 54.05 H new ATOM 0 HZ3 LYS A 814 -8.307 -15.335 14.412 1.00 54.05 H new ATOM 389 N ALA A 815 -1.316 -15.168 11.973 1.00 30.41 N ATOM 390 CA ALA A 815 -0.322 -14.865 10.958 1.00 41.42 C ATOM 391 C ALA A 815 0.300 -16.168 10.453 1.00 74.24 C ATOM 392 O ALA A 815 0.458 -17.121 11.215 1.00 53.24 O ATOM 393 CB ALA A 815 0.722 -13.906 11.535 1.00 33.54 C ATOM 0 H ALA A 815 -1.003 -15.815 12.697 1.00 30.41 H new ATOM 0 HA ALA A 815 -0.785 -14.369 10.105 1.00 41.42 H new ATOM 0 HB1 ALA A 815 1.468 -13.679 10.773 1.00 33.54 H new ATOM 0 HB2 ALA A 815 0.234 -12.984 11.851 1.00 33.54 H new ATOM 0 HB3 ALA A 815 1.209 -14.371 12.392 1.00 33.54 H new ATOM 399 N LEU A 816 0.635 -16.169 9.171 1.00 43.30 N ATOM 400 CA LEU A 816 1.236 -17.340 8.555 1.00 1.41 C ATOM 401 C LEU A 816 2.238 -17.965 9.528 1.00 34.11 C ATOM 402 O LEU A 816 3.002 -17.255 10.179 1.00 0.14 O ATOM 403 CB LEU A 816 1.841 -16.980 7.197 1.00 41.43 C ATOM 404 CG LEU A 816 2.717 -18.053 6.547 1.00 54.13 C ATOM 405 CD1 LEU A 816 4.034 -18.220 7.307 1.00 71.14 C ATOM 406 CD2 LEU A 816 1.958 -19.375 6.417 1.00 32.23 C ATOM 0 H LEU A 816 0.502 -15.377 8.542 1.00 43.30 H new ATOM 0 HA LEU A 816 0.477 -18.095 8.350 1.00 1.41 H new ATOM 0 HB2 LEU A 816 1.028 -16.739 6.512 1.00 41.43 H new ATOM 0 HB3 LEU A 816 2.437 -16.075 7.316 1.00 41.43 H new ATOM 0 HG LEU A 816 2.967 -17.725 5.538 1.00 54.13 H new ATOM 0 HD11 LEU A 816 4.638 -18.988 6.824 1.00 71.14 H new ATOM 0 HD12 LEU A 816 4.578 -17.276 7.304 1.00 71.14 H new ATOM 0 HD13 LEU A 816 3.826 -18.515 8.335 1.00 71.14 H new ATOM 0 HD21 LEU A 816 2.603 -20.121 5.952 1.00 32.23 H new ATOM 0 HD22 LEU A 816 1.658 -19.721 7.406 1.00 32.23 H new ATOM 0 HD23 LEU A 816 1.072 -19.227 5.800 1.00 32.23 H new ATOM 418 N ALA A 817 2.201 -19.288 9.596 1.00 10.30 N ATOM 419 CA ALA A 817 3.096 -20.017 10.479 1.00 51.24 C ATOM 420 C ALA A 817 3.910 -21.019 9.658 1.00 50.03 C ATOM 421 O ALA A 817 5.119 -21.145 9.847 1.00 51.35 O ATOM 422 CB ALA A 817 2.283 -20.693 11.585 1.00 44.22 C ATOM 0 H ALA A 817 1.566 -19.874 9.054 1.00 10.30 H new ATOM 0 HA ALA A 817 3.799 -19.337 10.960 1.00 51.24 H new ATOM 0 HB1 ALA A 817 2.954 -21.240 12.247 1.00 44.22 H new ATOM 0 HB2 ALA A 817 1.746 -19.936 12.157 1.00 44.22 H new ATOM 0 HB3 ALA A 817 1.569 -21.386 11.140 1.00 44.22 H new ATOM 428 N CYS A 818 3.215 -21.707 8.764 1.00 54.52 N ATOM 429 CA CYS A 818 3.858 -22.694 7.913 1.00 12.44 C ATOM 430 C CYS A 818 2.822 -23.216 6.915 1.00 3.24 C ATOM 431 O CYS A 818 1.701 -22.714 6.860 1.00 53.03 O ATOM 432 CB CYS A 818 4.482 -23.825 8.732 1.00 22.15 C ATOM 433 SG CYS A 818 3.391 -24.258 10.136 1.00 15.41 S ATOM 0 H CYS A 818 2.212 -21.600 8.610 1.00 54.52 H new ATOM 0 HA CYS A 818 4.681 -22.229 7.370 1.00 12.44 H new ATOM 0 HB2 CYS A 818 4.639 -24.699 8.100 1.00 22.15 H new ATOM 0 HB3 CYS A 818 5.461 -23.520 9.102 1.00 22.15 H new ATOM 0 HG CYS A 818 3.930 -25.221 10.823 1.00 15.41 H new ATOM 439 N TYR A 819 3.235 -24.217 6.152 1.00 44.30 N ATOM 440 CA TYR A 819 2.358 -24.812 5.159 1.00 35.30 C ATOM 441 C TYR A 819 2.204 -26.316 5.395 1.00 74.22 C ATOM 442 O TYR A 819 3.054 -26.939 6.028 1.00 65.21 O ATOM 443 CB TYR A 819 3.037 -24.587 3.807 1.00 75.14 C ATOM 444 CG TYR A 819 2.906 -23.158 3.275 1.00 21.41 C ATOM 445 CD1 TYR A 819 3.729 -22.163 3.762 1.00 61.22 C ATOM 446 CD2 TYR A 819 1.965 -22.865 2.309 1.00 42.31 C ATOM 447 CE1 TYR A 819 3.606 -20.818 3.262 1.00 63.55 C ATOM 448 CE2 TYR A 819 1.842 -21.520 1.809 1.00 44.13 C ATOM 449 CZ TYR A 819 2.669 -20.563 2.310 1.00 70.23 C ATOM 450 OH TYR A 819 2.553 -19.293 1.837 1.00 20.23 O ATOM 0 H TYR A 819 4.166 -24.631 6.202 1.00 44.30 H new ATOM 0 HA TYR A 819 1.365 -24.365 5.207 1.00 35.30 H new ATOM 0 HB2 TYR A 819 4.095 -24.835 3.897 1.00 75.14 H new ATOM 0 HB3 TYR A 819 2.610 -25.276 3.078 1.00 75.14 H new ATOM 0 HD1 TYR A 819 4.465 -22.393 4.518 1.00 61.22 H new ATOM 0 HD2 TYR A 819 1.321 -23.644 1.928 1.00 42.31 H new ATOM 0 HE1 TYR A 819 4.243 -20.030 3.635 1.00 63.55 H new ATOM 0 HE2 TYR A 819 1.110 -21.277 1.053 1.00 44.13 H new ATOM 0 HH TYR A 819 1.844 -19.259 1.161 1.00 20.23 H new ATOM 460 N THR A 820 1.112 -26.856 4.873 1.00 50.12 N ATOM 461 CA THR A 820 0.836 -28.275 5.019 1.00 54.04 C ATOM 462 C THR A 820 1.655 -29.084 4.011 1.00 30.03 C ATOM 463 O THR A 820 1.751 -30.305 4.122 1.00 20.30 O ATOM 464 CB THR A 820 -0.674 -28.479 4.878 1.00 71.53 C ATOM 465 OG1 THR A 820 -0.967 -29.538 5.786 1.00 53.23 O ATOM 466 CG2 THR A 820 -1.064 -29.044 3.510 1.00 45.42 C ATOM 0 H THR A 820 0.408 -26.336 4.349 1.00 50.12 H new ATOM 0 HA THR A 820 1.138 -28.638 6.001 1.00 54.04 H new ATOM 0 HB THR A 820 -1.185 -27.529 5.038 1.00 71.53 H new ATOM 0 HG1 THR A 820 -1.693 -29.264 6.385 1.00 53.23 H new ATOM 0 HG21 THR A 820 -2.146 -29.169 3.463 1.00 45.42 H new ATOM 0 HG22 THR A 820 -0.744 -28.356 2.728 1.00 45.42 H new ATOM 0 HG23 THR A 820 -0.580 -30.010 3.364 1.00 45.42 H new ATOM 474 N ALA A 821 2.225 -28.370 3.051 1.00 31.54 N ATOM 475 CA ALA A 821 3.033 -29.007 2.025 1.00 0.21 C ATOM 476 C ALA A 821 4.404 -29.359 2.607 1.00 75.21 C ATOM 477 O ALA A 821 5.200 -30.038 1.961 1.00 44.45 O ATOM 478 CB ALA A 821 3.136 -28.083 0.810 1.00 55.11 C ATOM 0 H ALA A 821 2.143 -27.357 2.962 1.00 31.54 H new ATOM 0 HA ALA A 821 2.568 -29.935 1.691 1.00 0.21 H new ATOM 0 HB1 ALA A 821 3.742 -28.560 0.040 1.00 55.11 H new ATOM 0 HB2 ALA A 821 2.139 -27.887 0.417 1.00 55.11 H new ATOM 0 HB3 ALA A 821 3.601 -27.143 1.106 1.00 55.11 H new ATOM 484 N ASP A 822 4.636 -28.883 3.821 1.00 13.40 N ATOM 485 CA ASP A 822 5.896 -29.139 4.497 1.00 1.22 C ATOM 486 C ASP A 822 5.620 -29.805 5.847 1.00 53.52 C ATOM 487 O ASP A 822 6.549 -30.127 6.586 1.00 53.13 O ATOM 488 CB ASP A 822 6.655 -27.837 4.759 1.00 3.41 C ATOM 489 CG ASP A 822 7.287 -27.197 3.521 1.00 5.55 C ATOM 490 OD1 ASP A 822 7.135 -27.695 2.396 1.00 0.13 O ATOM 491 OD2 ASP A 822 7.971 -26.126 3.750 1.00 73.40 O ATOM 0 H ASP A 822 3.972 -28.321 4.354 1.00 13.40 H new ATOM 0 HA ASP A 822 6.497 -29.784 3.856 1.00 1.22 H new ATOM 0 HB2 ASP A 822 5.970 -27.119 5.211 1.00 3.41 H new ATOM 0 HB3 ASP A 822 7.440 -28.032 5.490 1.00 3.41 H new ATOM 497 N VAL A 823 4.338 -29.991 6.127 1.00 3.43 N ATOM 498 CA VAL A 823 3.928 -30.612 7.375 1.00 30.10 C ATOM 499 C VAL A 823 3.787 -32.121 7.166 1.00 62.21 C ATOM 500 O VAL A 823 3.019 -32.564 6.314 1.00 60.44 O ATOM 501 CB VAL A 823 2.644 -29.957 7.888 1.00 31.33 C ATOM 502 CG1 VAL A 823 1.408 -30.622 7.279 1.00 20.40 C ATOM 503 CG2 VAL A 823 2.586 -29.988 9.417 1.00 71.22 C ATOM 0 H VAL A 823 3.570 -29.723 5.511 1.00 3.43 H new ATOM 0 HA VAL A 823 4.685 -30.460 8.145 1.00 30.10 H new ATOM 0 HB VAL A 823 2.652 -28.913 7.574 1.00 31.33 H new ATOM 0 HG11 VAL A 823 0.509 -30.138 7.660 1.00 20.40 H new ATOM 0 HG12 VAL A 823 1.440 -30.525 6.194 1.00 20.40 H new ATOM 0 HG13 VAL A 823 1.393 -31.678 7.548 1.00 20.40 H new ATOM 0 HG21 VAL A 823 1.664 -29.516 9.756 1.00 71.22 H new ATOM 0 HG22 VAL A 823 2.612 -31.022 9.761 1.00 71.22 H new ATOM 0 HG23 VAL A 823 3.441 -29.448 9.825 1.00 71.22 H new ATOM 513 N ARG A 824 4.541 -32.869 7.958 1.00 10.04 N ATOM 514 CA ARG A 824 4.510 -34.319 7.871 1.00 71.02 C ATOM 515 C ARG A 824 4.574 -34.937 9.269 1.00 11.32 C ATOM 516 O ARG A 824 5.557 -34.758 9.986 1.00 10.34 O ATOM 517 CB ARG A 824 5.678 -34.845 7.034 1.00 31.44 C ATOM 518 CG ARG A 824 5.848 -34.026 5.753 1.00 32.33 C ATOM 519 CD ARG A 824 6.722 -34.768 4.740 1.00 75.41 C ATOM 520 NE ARG A 824 6.437 -34.280 3.372 1.00 13.43 N ATOM 521 CZ ARG A 824 7.116 -34.669 2.273 1.00 73.55 C ATOM 522 NH1 ARG A 824 8.127 -35.559 2.371 1.00 53.31 N ATOM 523 NH2 ARG A 824 6.776 -34.168 1.100 1.00 62.14 N ATOM 0 H ARG A 824 5.177 -32.498 8.663 1.00 10.04 H new ATOM 0 HA ARG A 824 3.575 -34.602 7.388 1.00 71.02 H new ATOM 0 HB2 ARG A 824 6.596 -34.805 7.620 1.00 31.44 H new ATOM 0 HB3 ARG A 824 5.506 -35.891 6.781 1.00 31.44 H new ATOM 0 HG2 ARG A 824 4.871 -33.822 5.315 1.00 32.33 H new ATOM 0 HG3 ARG A 824 6.298 -33.062 5.990 1.00 32.33 H new ATOM 0 HD2 ARG A 824 7.775 -34.617 4.977 1.00 75.41 H new ATOM 0 HD3 ARG A 824 6.532 -35.840 4.800 1.00 75.41 H new ATOM 0 HE ARG A 824 5.680 -33.607 3.253 1.00 13.43 H new ATOM 0 HH11 ARG A 824 8.382 -35.943 3.281 1.00 53.31 H new ATOM 0 HH12 ARG A 824 8.635 -35.848 1.535 1.00 53.31 H new ATOM 0 HH21 ARG A 824 6.010 -33.497 1.034 1.00 62.14 H new ATOM 0 HH22 ARG A 824 7.279 -34.451 0.259 1.00 62.14 H new ATOM 536 N VAL A 825 3.513 -35.651 9.615 1.00 70.22 N ATOM 537 CA VAL A 825 3.436 -36.296 10.914 1.00 22.35 C ATOM 538 C VAL A 825 4.266 -37.582 10.891 1.00 54.23 C ATOM 539 O VAL A 825 4.290 -38.290 9.886 1.00 63.34 O ATOM 540 CB VAL A 825 1.974 -36.536 11.294 1.00 15.54 C ATOM 541 CG1 VAL A 825 1.295 -35.230 11.713 1.00 3.33 C ATOM 542 CG2 VAL A 825 1.212 -37.206 10.149 1.00 22.11 C ATOM 0 H VAL A 825 2.699 -35.797 9.018 1.00 70.22 H new ATOM 0 HA VAL A 825 3.857 -35.651 11.685 1.00 22.35 H new ATOM 0 HB VAL A 825 1.957 -37.212 12.149 1.00 15.54 H new ATOM 0 HG11 VAL A 825 0.257 -35.429 11.978 1.00 3.33 H new ATOM 0 HG12 VAL A 825 1.815 -34.809 12.574 1.00 3.33 H new ATOM 0 HG13 VAL A 825 1.329 -34.521 10.886 1.00 3.33 H new ATOM 0 HG21 VAL A 825 0.175 -37.365 10.446 1.00 22.11 H new ATOM 0 HG22 VAL A 825 1.243 -36.566 9.268 1.00 22.11 H new ATOM 0 HG23 VAL A 825 1.674 -38.165 9.917 1.00 22.11 H new ATOM 552 N ILE A 826 4.925 -37.844 12.010 1.00 54.31 N ATOM 553 CA ILE A 826 5.753 -39.031 12.130 1.00 31.51 C ATOM 554 C ILE A 826 4.882 -40.214 12.561 1.00 4.41 C ATOM 555 O ILE A 826 4.814 -40.539 13.745 1.00 32.42 O ATOM 556 CB ILE A 826 6.937 -38.767 13.063 1.00 75.01 C ATOM 557 CG1 ILE A 826 8.045 -38.001 12.338 1.00 0.44 C ATOM 558 CG2 ILE A 826 7.450 -40.069 13.680 1.00 35.55 C ATOM 559 CD1 ILE A 826 8.575 -36.855 13.203 1.00 55.30 C ATOM 0 H ILE A 826 4.902 -37.254 12.842 1.00 54.31 H new ATOM 0 HA ILE A 826 6.189 -39.290 11.165 1.00 31.51 H new ATOM 0 HB ILE A 826 6.592 -38.137 13.883 1.00 75.01 H new ATOM 0 HG12 ILE A 826 8.860 -38.681 12.090 1.00 0.44 H new ATOM 0 HG13 ILE A 826 7.663 -37.605 11.397 1.00 0.44 H new ATOM 0 HG21 ILE A 826 8.291 -39.853 14.339 1.00 35.55 H new ATOM 0 HG22 ILE A 826 6.651 -40.539 14.254 1.00 35.55 H new ATOM 0 HG23 ILE A 826 7.774 -40.744 12.888 1.00 35.55 H new ATOM 0 HD11 ILE A 826 9.362 -36.326 12.665 1.00 55.30 H new ATOM 0 HD12 ILE A 826 7.763 -36.164 13.429 1.00 55.30 H new ATOM 0 HD13 ILE A 826 8.979 -37.257 14.132 1.00 55.30 H new ATOM 571 N GLU A 827 4.239 -40.824 11.576 1.00 2.54 N ATOM 572 CA GLU A 827 3.376 -41.962 11.839 1.00 71.51 C ATOM 573 C GLU A 827 2.080 -41.503 12.510 1.00 51.33 C ATOM 574 O GLU A 827 1.383 -42.301 13.134 1.00 20.03 O ATOM 575 CB GLU A 827 4.094 -43.009 12.693 1.00 32.30 C ATOM 576 CG GLU A 827 5.482 -43.319 12.129 1.00 73.55 C ATOM 577 CD GLU A 827 6.006 -44.653 12.665 1.00 4.32 C ATOM 578 OE1 GLU A 827 5.510 -45.718 12.271 1.00 33.31 O ATOM 579 OE2 GLU A 827 6.966 -44.556 13.521 1.00 5.14 O ATOM 0 H GLU A 827 4.299 -40.551 10.595 1.00 2.54 H new ATOM 0 HA GLU A 827 3.123 -42.428 10.887 1.00 71.51 H new ATOM 0 HB2 GLU A 827 4.186 -42.647 13.717 1.00 32.30 H new ATOM 0 HB3 GLU A 827 3.500 -43.922 12.730 1.00 32.30 H new ATOM 0 HG2 GLU A 827 5.437 -43.353 11.040 1.00 73.55 H new ATOM 0 HG3 GLU A 827 6.173 -42.519 12.395 1.00 73.55 H new ATOM 587 N GLU A 828 1.796 -40.218 12.358 1.00 51.45 N ATOM 588 CA GLU A 828 0.596 -39.642 12.941 1.00 71.13 C ATOM 589 C GLU A 828 0.680 -39.675 14.468 1.00 11.41 C ATOM 590 O GLU A 828 -0.334 -39.838 15.146 1.00 44.13 O ATOM 591 CB GLU A 828 -0.657 -40.367 12.445 1.00 23.30 C ATOM 592 CG GLU A 828 -0.557 -40.674 10.949 1.00 10.13 C ATOM 593 CD GLU A 828 -1.793 -41.433 10.462 1.00 64.32 C ATOM 594 OE1 GLU A 828 -2.560 -40.907 9.642 1.00 61.52 O ATOM 595 OE2 GLU A 828 -1.942 -42.612 10.965 1.00 40.32 O ATOM 0 H GLU A 828 2.377 -39.559 11.839 1.00 51.45 H new ATOM 0 HA GLU A 828 0.524 -38.602 12.623 1.00 71.13 H new ATOM 0 HB2 GLU A 828 -0.789 -41.294 13.002 1.00 23.30 H new ATOM 0 HB3 GLU A 828 -1.537 -39.752 12.636 1.00 23.30 H new ATOM 0 HG2 GLU A 828 -0.453 -39.744 10.389 1.00 10.13 H new ATOM 0 HG3 GLU A 828 0.338 -41.265 10.754 1.00 10.13 H new ATOM 603 N CYS A 829 1.898 -39.517 14.965 1.00 13.44 N ATOM 604 CA CYS A 829 2.127 -39.526 16.400 1.00 2.32 C ATOM 605 C CYS A 829 2.482 -38.104 16.839 1.00 4.20 C ATOM 606 O CYS A 829 2.236 -37.724 17.983 1.00 44.44 O ATOM 607 CB CYS A 829 3.211 -40.532 16.793 1.00 12.23 C ATOM 608 SG CYS A 829 3.394 -40.575 18.614 1.00 74.44 S ATOM 0 H CYS A 829 2.736 -39.382 14.400 1.00 13.44 H new ATOM 0 HA CYS A 829 1.221 -39.848 16.914 1.00 2.32 H new ATOM 0 HB2 CYS A 829 2.951 -41.523 16.422 1.00 12.23 H new ATOM 0 HB3 CYS A 829 4.159 -40.257 16.330 1.00 12.23 H new ATOM 0 HG CYS A 829 3.004 -39.441 19.116 1.00 74.44 H new ATOM 614 N HIS A 830 3.055 -37.357 15.907 1.00 43.22 N ATOM 615 CA HIS A 830 3.447 -35.985 16.183 1.00 11.00 C ATOM 616 C HIS A 830 3.213 -35.124 14.940 1.00 62.32 C ATOM 617 O HIS A 830 3.036 -35.649 13.841 1.00 11.14 O ATOM 618 CB HIS A 830 4.891 -35.923 16.684 1.00 10.34 C ATOM 619 CG HIS A 830 5.538 -37.276 16.863 1.00 12.44 C ATOM 620 ND1 HIS A 830 6.288 -37.606 17.978 1.00 31.35 N ATOM 621 CD2 HIS A 830 5.538 -38.377 16.059 1.00 52.13 C ATOM 622 CE1 HIS A 830 6.716 -38.852 17.840 1.00 60.40 C ATOM 623 NE2 HIS A 830 6.251 -39.328 16.649 1.00 34.14 N ATOM 0 H HIS A 830 3.257 -37.676 14.959 1.00 43.22 H new ATOM 0 HA HIS A 830 2.828 -35.580 16.984 1.00 11.00 H new ATOM 0 HB2 HIS A 830 5.484 -35.338 15.981 1.00 10.34 H new ATOM 0 HB3 HIS A 830 4.912 -35.393 17.636 1.00 10.34 H new ATOM 0 HD1 HIS A 830 6.479 -36.994 18.771 1.00 31.35 H new ATOM 0 HD2 HIS A 830 5.042 -38.461 15.103 1.00 52.13 H new ATOM 0 HE1 HIS A 830 7.326 -39.396 18.546 1.00 60.40 H new ATOM 631 N TYR A 831 3.221 -33.817 15.155 1.00 53.05 N ATOM 632 CA TYR A 831 3.012 -32.878 14.065 1.00 32.42 C ATOM 633 C TYR A 831 4.229 -31.970 13.883 1.00 2.44 C ATOM 634 O TYR A 831 4.446 -31.051 14.673 1.00 63.53 O ATOM 635 CB TYR A 831 1.809 -32.024 14.469 1.00 35.34 C ATOM 636 CG TYR A 831 0.462 -32.596 14.023 1.00 75.03 C ATOM 637 CD1 TYR A 831 0.213 -32.809 12.682 1.00 33.11 C ATOM 638 CD2 TYR A 831 -0.505 -32.899 14.961 1.00 41.35 C ATOM 639 CE1 TYR A 831 -1.055 -33.347 12.262 1.00 71.23 C ATOM 640 CE2 TYR A 831 -1.773 -33.437 14.540 1.00 3.22 C ATOM 641 CZ TYR A 831 -1.985 -33.634 13.212 1.00 72.45 C ATOM 642 OH TYR A 831 -3.183 -34.143 12.815 1.00 44.35 O ATOM 0 H TYR A 831 3.369 -33.386 16.067 1.00 53.05 H new ATOM 0 HA TYR A 831 2.851 -33.409 13.127 1.00 32.42 H new ATOM 0 HB2 TYR A 831 1.804 -31.912 15.553 1.00 35.34 H new ATOM 0 HB3 TYR A 831 1.926 -31.026 14.046 1.00 35.34 H new ATOM 0 HD1 TYR A 831 0.969 -32.572 11.948 1.00 33.11 H new ATOM 0 HD2 TYR A 831 -0.311 -32.733 16.010 1.00 41.35 H new ATOM 0 HE1 TYR A 831 -1.263 -33.519 11.216 1.00 71.23 H new ATOM 0 HE2 TYR A 831 -2.538 -33.678 15.263 1.00 3.22 H new ATOM 0 HH TYR A 831 -3.036 -34.834 12.135 1.00 44.35 H new ATOM 652 N THR A 832 4.991 -32.257 12.839 1.00 65.04 N ATOM 653 CA THR A 832 6.181 -31.477 12.543 1.00 24.11 C ATOM 654 C THR A 832 6.252 -31.158 11.049 1.00 64.25 C ATOM 655 O THR A 832 5.549 -31.770 10.245 1.00 4.35 O ATOM 656 CB THR A 832 7.395 -32.254 13.057 1.00 3.41 C ATOM 657 OG1 THR A 832 7.602 -33.265 12.074 1.00 3.55 O ATOM 658 CG2 THR A 832 7.092 -33.035 14.337 1.00 14.22 C ATOM 0 H THR A 832 4.808 -33.019 12.187 1.00 65.04 H new ATOM 0 HA THR A 832 6.157 -30.511 13.048 1.00 24.11 H new ATOM 0 HB THR A 832 8.217 -31.562 13.240 1.00 3.41 H new ATOM 0 HG1 THR A 832 8.372 -33.815 12.328 1.00 3.55 H new ATOM 0 HG21 THR A 832 7.987 -33.568 14.658 1.00 14.22 H new ATOM 0 HG22 THR A 832 6.781 -32.344 15.120 1.00 14.22 H new ATOM 0 HG23 THR A 832 6.292 -33.751 14.146 1.00 14.22 H new ATOM 666 N VAL A 833 7.108 -30.201 10.720 1.00 33.03 N ATOM 667 CA VAL A 833 7.280 -29.793 9.336 1.00 33.43 C ATOM 668 C VAL A 833 8.773 -29.655 9.032 1.00 53.32 C ATOM 669 O VAL A 833 9.596 -29.624 9.945 1.00 31.13 O ATOM 670 CB VAL A 833 6.493 -28.509 9.067 1.00 11.03 C ATOM 671 CG1 VAL A 833 5.213 -28.465 9.904 1.00 74.13 C ATOM 672 CG2 VAL A 833 7.358 -27.273 9.323 1.00 55.23 C ATOM 0 H VAL A 833 7.690 -29.696 11.389 1.00 33.03 H new ATOM 0 HA VAL A 833 6.880 -30.550 8.662 1.00 33.43 H new ATOM 0 HB VAL A 833 6.206 -28.506 8.016 1.00 11.03 H new ATOM 0 HG11 VAL A 833 4.672 -27.542 9.694 1.00 74.13 H new ATOM 0 HG12 VAL A 833 4.584 -29.319 9.653 1.00 74.13 H new ATOM 0 HG13 VAL A 833 5.469 -28.502 10.963 1.00 74.13 H new ATOM 0 HG21 VAL A 833 6.775 -26.374 9.125 1.00 55.23 H new ATOM 0 HG22 VAL A 833 7.689 -27.269 10.362 1.00 55.23 H new ATOM 0 HG23 VAL A 833 8.227 -27.295 8.665 1.00 55.23 H new ATOM 682 N LEU A 834 9.077 -29.575 7.745 1.00 54.43 N ATOM 683 CA LEU A 834 10.456 -29.440 7.308 1.00 0.14 C ATOM 684 C LEU A 834 10.602 -28.161 6.482 1.00 43.32 C ATOM 685 O LEU A 834 9.607 -27.544 6.104 1.00 62.42 O ATOM 686 CB LEU A 834 10.911 -30.702 6.574 1.00 63.33 C ATOM 687 CG LEU A 834 10.399 -32.029 7.138 1.00 13.35 C ATOM 688 CD1 LEU A 834 8.949 -32.279 6.719 1.00 32.22 C ATOM 689 CD2 LEU A 834 11.318 -33.185 6.742 1.00 61.53 C ATOM 0 H LEU A 834 8.391 -29.601 6.990 1.00 54.43 H new ATOM 0 HA LEU A 834 11.120 -29.342 8.167 1.00 0.14 H new ATOM 0 HB2 LEU A 834 10.595 -30.627 5.533 1.00 63.33 H new ATOM 0 HB3 LEU A 834 12.001 -30.726 6.576 1.00 63.33 H new ATOM 0 HG LEU A 834 10.414 -31.966 8.226 1.00 13.35 H new ATOM 0 HD11 LEU A 834 8.609 -33.228 7.133 1.00 32.22 H new ATOM 0 HD12 LEU A 834 8.318 -31.473 7.094 1.00 32.22 H new ATOM 0 HD13 LEU A 834 8.885 -32.314 5.631 1.00 32.22 H new ATOM 0 HD21 LEU A 834 10.931 -34.116 7.156 1.00 61.53 H new ATOM 0 HD22 LEU A 834 11.360 -33.261 5.655 1.00 61.53 H new ATOM 0 HD23 LEU A 834 12.320 -33.004 7.132 1.00 61.53 H new ATOM 701 N GLY A 835 11.851 -27.800 6.225 1.00 0.54 N ATOM 702 CA GLY A 835 12.140 -26.605 5.450 1.00 4.15 C ATOM 703 C GLY A 835 12.576 -25.454 6.359 1.00 3.14 C ATOM 704 O GLY A 835 12.091 -25.327 7.483 1.00 70.24 O ATOM 0 H GLY A 835 12.674 -28.314 6.540 1.00 0.54 H new ATOM 0 HA2 GLY A 835 12.926 -26.818 4.725 1.00 4.15 H new ATOM 0 HA3 GLY A 835 11.256 -26.311 4.884 1.00 4.15 H new ATOM 708 N ASP A 836 13.487 -24.644 5.840 1.00 61.12 N ATOM 709 CA ASP A 836 13.994 -23.508 6.590 1.00 12.15 C ATOM 710 C ASP A 836 12.992 -22.355 6.501 1.00 35.44 C ATOM 711 O ASP A 836 13.104 -21.372 7.232 1.00 30.31 O ATOM 712 CB ASP A 836 15.327 -23.020 6.019 1.00 33.51 C ATOM 713 CG ASP A 836 15.280 -22.580 4.554 1.00 21.25 C ATOM 714 OD1 ASP A 836 15.226 -23.414 3.638 1.00 34.14 O ATOM 715 OD2 ASP A 836 15.302 -21.304 4.368 1.00 40.10 O ATOM 0 H ASP A 836 13.887 -24.752 4.908 1.00 61.12 H new ATOM 0 HA ASP A 836 14.139 -23.825 7.623 1.00 12.15 H new ATOM 0 HB2 ASP A 836 15.680 -22.184 6.623 1.00 33.51 H new ATOM 0 HB3 ASP A 836 16.062 -23.818 6.120 1.00 33.51 H new ATOM 721 N ALA A 837 12.034 -22.515 5.600 1.00 51.43 N ATOM 722 CA ALA A 837 11.012 -21.500 5.406 1.00 45.54 C ATOM 723 C ALA A 837 10.286 -21.254 6.729 1.00 13.23 C ATOM 724 O ALA A 837 9.987 -20.112 7.075 1.00 51.21 O ATOM 725 CB ALA A 837 10.061 -21.939 4.291 1.00 61.11 C ATOM 0 H ALA A 837 11.944 -23.332 4.996 1.00 51.43 H new ATOM 0 HA ALA A 837 11.462 -20.557 5.097 1.00 45.54 H new ATOM 0 HB1 ALA A 837 9.295 -21.178 4.146 1.00 61.11 H new ATOM 0 HB2 ALA A 837 10.622 -22.071 3.366 1.00 61.11 H new ATOM 0 HB3 ALA A 837 9.588 -22.882 4.566 1.00 61.11 H new ATOM 731 N PHE A 838 10.022 -22.344 7.434 1.00 22.32 N ATOM 732 CA PHE A 838 9.336 -22.262 8.712 1.00 1.44 C ATOM 733 C PHE A 838 10.327 -22.017 9.852 1.00 43.00 C ATOM 734 O PHE A 838 9.950 -21.517 10.911 1.00 44.55 O ATOM 735 CB PHE A 838 8.643 -23.607 8.936 1.00 54.04 C ATOM 736 CG PHE A 838 9.522 -24.654 9.623 1.00 14.44 C ATOM 737 CD1 PHE A 838 9.810 -24.536 10.947 1.00 13.43 C ATOM 738 CD2 PHE A 838 10.015 -25.702 8.911 1.00 53.31 C ATOM 739 CE1 PHE A 838 10.626 -25.507 11.586 1.00 55.14 C ATOM 740 CE2 PHE A 838 10.831 -26.673 9.549 1.00 34.02 C ATOM 741 CZ PHE A 838 11.119 -26.555 10.873 1.00 32.01 C ATOM 0 H PHE A 838 10.271 -23.290 7.144 1.00 22.32 H new ATOM 0 HA PHE A 838 8.626 -21.435 8.699 1.00 1.44 H new ATOM 0 HB2 PHE A 838 7.748 -23.447 9.538 1.00 54.04 H new ATOM 0 HB3 PHE A 838 8.314 -23.999 7.974 1.00 54.04 H new ATOM 0 HD1 PHE A 838 9.418 -23.704 11.513 1.00 13.43 H new ATOM 0 HD2 PHE A 838 9.786 -25.796 7.860 1.00 53.31 H new ATOM 0 HE1 PHE A 838 10.855 -25.413 12.637 1.00 55.14 H new ATOM 0 HE2 PHE A 838 11.223 -27.505 8.983 1.00 34.02 H new ATOM 0 HZ PHE A 838 11.739 -27.294 11.358 1.00 32.01 H new ATOM 751 N LYS A 839 11.575 -22.381 9.597 1.00 62.35 N ATOM 752 CA LYS A 839 12.623 -22.208 10.588 1.00 44.42 C ATOM 753 C LYS A 839 12.745 -20.724 10.940 1.00 2.23 C ATOM 754 O LYS A 839 13.219 -20.376 12.020 1.00 4.45 O ATOM 755 CB LYS A 839 13.932 -22.833 10.099 1.00 35.15 C ATOM 756 CG LYS A 839 13.867 -24.360 10.164 1.00 33.41 C ATOM 757 CD LYS A 839 15.264 -24.962 10.324 1.00 22.22 C ATOM 758 CE LYS A 839 16.291 -24.193 9.491 1.00 2.21 C ATOM 759 NZ LYS A 839 17.575 -24.927 9.444 1.00 63.30 N ATOM 0 H LYS A 839 11.884 -22.795 8.718 1.00 62.35 H new ATOM 0 HA LYS A 839 12.369 -22.735 11.507 1.00 44.42 H new ATOM 0 HB2 LYS A 839 14.130 -22.517 9.075 1.00 35.15 H new ATOM 0 HB3 LYS A 839 14.761 -22.474 10.709 1.00 35.15 H new ATOM 0 HG2 LYS A 839 13.238 -24.665 11.000 1.00 33.41 H new ATOM 0 HG3 LYS A 839 13.402 -24.747 9.257 1.00 33.41 H new ATOM 0 HD2 LYS A 839 15.554 -24.942 11.374 1.00 22.22 H new ATOM 0 HD3 LYS A 839 15.251 -26.008 10.017 1.00 22.22 H new ATOM 0 HE2 LYS A 839 15.912 -24.047 8.480 1.00 2.21 H new ATOM 0 HE3 LYS A 839 16.447 -23.203 9.919 1.00 2.21 H new ATOM 0 HZ1 LYS A 839 18.261 -24.391 8.875 1.00 63.30 H new ATOM 0 HZ2 LYS A 839 17.943 -25.044 10.409 1.00 63.30 H new ATOM 0 HZ3 LYS A 839 17.425 -25.862 9.015 1.00 63.30 H new ATOM 772 N GLU A 840 12.309 -19.889 10.008 1.00 33.24 N ATOM 773 CA GLU A 840 12.363 -18.451 10.207 1.00 11.21 C ATOM 774 C GLU A 840 11.055 -17.951 10.824 1.00 50.54 C ATOM 775 O GLU A 840 10.974 -16.809 11.274 1.00 12.11 O ATOM 776 CB GLU A 840 12.662 -17.727 8.893 1.00 11.30 C ATOM 777 CG GLU A 840 11.741 -18.218 7.774 1.00 21.13 C ATOM 778 CD GLU A 840 11.714 -17.225 6.611 1.00 70.14 C ATOM 779 OE1 GLU A 840 12.593 -16.355 6.517 1.00 35.05 O ATOM 780 OE2 GLU A 840 10.737 -17.381 5.783 1.00 35.23 O ATOM 0 H GLU A 840 11.917 -20.181 9.113 1.00 33.24 H new ATOM 0 HA GLU A 840 13.176 -18.229 10.899 1.00 11.21 H new ATOM 0 HB2 GLU A 840 12.535 -16.653 9.028 1.00 11.30 H new ATOM 0 HB3 GLU A 840 13.702 -17.892 8.611 1.00 11.30 H new ATOM 0 HG2 GLU A 840 12.081 -19.191 7.419 1.00 21.13 H new ATOM 0 HG3 GLU A 840 10.732 -18.356 8.163 1.00 21.13 H new ATOM 788 N CYS A 841 10.064 -18.830 10.824 1.00 53.43 N ATOM 789 CA CYS A 841 8.764 -18.491 11.377 1.00 34.44 C ATOM 790 C CYS A 841 8.775 -18.827 12.870 1.00 1.11 C ATOM 791 O CYS A 841 7.965 -18.304 13.634 1.00 74.44 O ATOM 792 CB CYS A 841 7.631 -19.208 10.640 1.00 31.50 C ATOM 793 SG CYS A 841 7.427 -18.500 8.965 1.00 1.43 S ATOM 0 H CYS A 841 10.135 -19.776 10.450 1.00 53.43 H new ATOM 0 HA CYS A 841 8.577 -17.425 11.246 1.00 34.44 H new ATOM 0 HB2 CYS A 841 7.849 -20.274 10.569 1.00 31.50 H new ATOM 0 HB3 CYS A 841 6.702 -19.110 11.201 1.00 31.50 H new ATOM 0 HG CYS A 841 8.302 -19.027 8.161 1.00 1.43 H new ATOM 799 N PHE A 842 9.703 -19.697 13.241 1.00 0.34 N ATOM 800 CA PHE A 842 9.831 -20.108 14.629 1.00 12.01 C ATOM 801 C PHE A 842 11.249 -19.860 15.146 1.00 24.31 C ATOM 802 O PHE A 842 12.068 -19.253 14.457 1.00 32.12 O ATOM 803 CB PHE A 842 9.537 -21.609 14.680 1.00 41.44 C ATOM 804 CG PHE A 842 10.789 -22.488 14.682 1.00 2.01 C ATOM 805 CD1 PHE A 842 11.738 -22.324 13.721 1.00 15.41 C ATOM 806 CD2 PHE A 842 10.954 -23.434 15.645 1.00 11.12 C ATOM 807 CE1 PHE A 842 12.899 -23.140 13.723 1.00 5.34 C ATOM 808 CE2 PHE A 842 12.116 -24.250 15.647 1.00 30.15 C ATOM 809 CZ PHE A 842 13.064 -24.086 14.686 1.00 2.25 C ATOM 0 H PHE A 842 10.373 -20.129 12.605 1.00 0.34 H new ATOM 0 HA PHE A 842 9.142 -19.537 15.251 1.00 12.01 H new ATOM 0 HB2 PHE A 842 8.953 -21.824 15.575 1.00 41.44 H new ATOM 0 HB3 PHE A 842 8.919 -21.877 13.823 1.00 41.44 H new ATOM 0 HD1 PHE A 842 11.608 -21.573 12.956 1.00 15.41 H new ATOM 0 HD2 PHE A 842 10.201 -23.565 16.408 1.00 11.12 H new ATOM 0 HE1 PHE A 842 13.652 -23.010 12.960 1.00 5.34 H new ATOM 0 HE2 PHE A 842 12.247 -25.001 16.412 1.00 30.15 H new ATOM 0 HZ PHE A 842 13.948 -24.707 14.688 1.00 2.25 H new ATOM 819 N VAL A 843 11.497 -20.343 16.355 1.00 61.02 N ATOM 820 CA VAL A 843 12.803 -20.182 16.972 1.00 14.40 C ATOM 821 C VAL A 843 13.047 -21.335 17.947 1.00 61.10 C ATOM 822 O VAL A 843 12.123 -22.074 18.284 1.00 64.21 O ATOM 823 CB VAL A 843 12.901 -18.807 17.636 1.00 42.41 C ATOM 824 CG1 VAL A 843 12.488 -17.698 16.665 1.00 23.43 C ATOM 825 CG2 VAL A 843 12.065 -18.755 18.916 1.00 55.42 C ATOM 0 H VAL A 843 10.816 -20.846 16.924 1.00 61.02 H new ATOM 0 HA VAL A 843 13.589 -20.222 16.218 1.00 14.40 H new ATOM 0 HB VAL A 843 13.943 -18.641 17.910 1.00 42.41 H new ATOM 0 HG11 VAL A 843 12.567 -16.731 17.162 1.00 23.43 H new ATOM 0 HG12 VAL A 843 13.144 -17.713 15.795 1.00 23.43 H new ATOM 0 HG13 VAL A 843 11.458 -17.859 16.346 1.00 23.43 H new ATOM 0 HG21 VAL A 843 12.152 -17.767 19.368 1.00 55.42 H new ATOM 0 HG22 VAL A 843 11.020 -18.953 18.677 1.00 55.42 H new ATOM 0 HG23 VAL A 843 12.426 -19.508 19.617 1.00 55.42 H new ATOM 835 N SER A 844 14.296 -21.453 18.373 1.00 61.22 N ATOM 836 CA SER A 844 14.674 -22.504 19.302 1.00 32.24 C ATOM 837 C SER A 844 15.567 -21.932 20.405 1.00 50.42 C ATOM 838 O SER A 844 16.671 -21.462 20.133 1.00 12.20 O ATOM 839 CB SER A 844 15.389 -23.648 18.580 1.00 41.50 C ATOM 840 OG SER A 844 16.611 -24.003 19.222 1.00 35.40 O ATOM 0 H SER A 844 15.059 -20.838 18.092 1.00 61.22 H new ATOM 0 HA SER A 844 13.765 -22.906 19.751 1.00 32.24 H new ATOM 0 HB2 SER A 844 14.734 -24.518 18.541 1.00 41.50 H new ATOM 0 HB3 SER A 844 15.592 -23.356 17.550 1.00 41.50 H new ATOM 0 HG SER A 844 17.037 -24.737 18.732 1.00 35.40 H new ATOM 846 N ARG A 845 15.056 -21.990 21.626 1.00 41.31 N ATOM 847 CA ARG A 845 15.794 -21.483 22.771 1.00 54.24 C ATOM 848 C ARG A 845 15.897 -22.558 23.854 1.00 63.42 C ATOM 849 O ARG A 845 14.942 -22.795 24.592 1.00 63.32 O ATOM 850 CB ARG A 845 15.117 -20.242 23.357 1.00 74.34 C ATOM 851 CG ARG A 845 14.219 -19.565 22.318 1.00 24.43 C ATOM 852 CD ARG A 845 15.055 -18.896 21.225 1.00 75.43 C ATOM 853 NE ARG A 845 15.717 -17.687 21.762 1.00 15.22 N ATOM 854 CZ ARG A 845 15.091 -16.507 21.962 1.00 30.44 C ATOM 855 NH1 ARG A 845 13.780 -16.369 21.671 1.00 41.23 N ATOM 856 NH2 ARG A 845 15.780 -15.492 22.448 1.00 43.54 N ATOM 0 H ARG A 845 14.140 -22.380 21.848 1.00 41.31 H new ATOM 0 HA ARG A 845 16.792 -21.211 22.428 1.00 54.24 H new ATOM 0 HB2 ARG A 845 14.524 -20.524 24.227 1.00 74.34 H new ATOM 0 HB3 ARG A 845 15.875 -19.538 23.702 1.00 74.34 H new ATOM 0 HG2 ARG A 845 13.553 -20.303 21.871 1.00 24.43 H new ATOM 0 HG3 ARG A 845 13.589 -18.821 22.806 1.00 24.43 H new ATOM 0 HD2 ARG A 845 15.803 -19.594 20.850 1.00 75.43 H new ATOM 0 HD3 ARG A 845 14.418 -18.628 20.382 1.00 75.43 H new ATOM 0 HE ARG A 845 16.708 -17.748 21.996 1.00 15.22 H new ATOM 0 HH11 ARG A 845 13.255 -17.159 21.297 1.00 41.23 H new ATOM 0 HH12 ARG A 845 13.315 -15.474 21.825 1.00 41.23 H new ATOM 0 HH21 ARG A 845 16.770 -15.606 22.667 1.00 43.54 H new ATOM 0 HH22 ARG A 845 15.323 -14.594 22.605 1.00 43.54 H new ATOM 869 N PRO A 846 17.096 -23.197 23.917 1.00 63.34 N ATOM 870 CA PRO A 846 17.337 -24.242 24.897 1.00 22.02 C ATOM 871 C PRO A 846 17.542 -23.648 26.292 1.00 35.03 C ATOM 872 O PRO A 846 17.148 -24.249 27.291 1.00 64.43 O ATOM 873 CB PRO A 846 18.558 -24.989 24.385 1.00 51.32 C ATOM 874 CG PRO A 846 19.231 -24.055 23.392 1.00 61.11 C ATOM 875 CD PRO A 846 18.250 -22.943 23.059 1.00 40.02 C ATOM 0 HA PRO A 846 16.490 -24.919 25.006 1.00 22.02 H new ATOM 0 HB2 PRO A 846 19.233 -25.242 25.203 1.00 51.32 H new ATOM 0 HB3 PRO A 846 18.271 -25.926 23.908 1.00 51.32 H new ATOM 0 HG2 PRO A 846 20.146 -23.642 23.816 1.00 61.11 H new ATOM 0 HG3 PRO A 846 19.514 -24.597 22.490 1.00 61.11 H new ATOM 0 HD2 PRO A 846 18.682 -21.962 23.256 1.00 40.02 H new ATOM 0 HD3 PRO A 846 17.972 -22.963 22.005 1.00 40.02 H new ATOM 883 N HIS A 847 18.156 -22.475 26.317 1.00 42.43 N ATOM 884 CA HIS A 847 18.417 -21.792 27.573 1.00 64.52 C ATOM 885 C HIS A 847 17.218 -21.962 28.508 1.00 24.30 C ATOM 886 O HIS A 847 17.344 -22.543 29.585 1.00 12.00 O ATOM 887 CB HIS A 847 18.777 -20.325 27.330 1.00 74.32 C ATOM 888 CG HIS A 847 20.216 -19.987 27.635 1.00 45.04 C ATOM 889 ND1 HIS A 847 20.772 -20.138 28.893 1.00 12.12 N ATOM 890 CD2 HIS A 847 21.208 -19.505 26.831 1.00 20.24 C ATOM 891 CE1 HIS A 847 22.040 -19.760 28.839 1.00 65.13 C ATOM 892 NE2 HIS A 847 22.309 -19.368 27.560 1.00 12.11 N ATOM 0 H HIS A 847 18.481 -21.979 25.487 1.00 42.43 H new ATOM 0 HA HIS A 847 19.282 -22.241 28.062 1.00 64.52 H new ATOM 0 HB2 HIS A 847 18.570 -20.078 26.289 1.00 74.32 H new ATOM 0 HB3 HIS A 847 18.129 -19.697 27.942 1.00 74.32 H new ATOM 0 HD2 HIS A 847 21.113 -19.274 25.780 1.00 20.24 H new ATOM 0 HE1 HIS A 847 22.739 -19.762 29.663 1.00 65.13 H new ATOM 0 HE2 HIS A 847 23.208 -19.026 27.220 1.00 12.11 H new ATOM 900 N PRO A 848 16.053 -21.431 28.050 1.00 20.24 N ATOM 901 CA PRO A 848 14.832 -21.518 28.834 1.00 64.23 C ATOM 902 C PRO A 848 14.248 -22.931 28.784 1.00 62.53 C ATOM 903 O PRO A 848 14.294 -23.589 27.745 1.00 32.55 O ATOM 904 CB PRO A 848 13.906 -20.471 28.237 1.00 63.24 C ATOM 905 CG PRO A 848 14.462 -20.162 26.856 1.00 2.31 C ATOM 906 CD PRO A 848 15.867 -20.737 26.780 1.00 42.52 C ATOM 0 HA PRO A 848 14.998 -21.326 29.894 1.00 64.23 H new ATOM 0 HB2 PRO A 848 12.884 -20.845 28.172 1.00 63.24 H new ATOM 0 HB3 PRO A 848 13.879 -19.575 28.857 1.00 63.24 H new ATOM 0 HG2 PRO A 848 13.829 -20.598 26.083 1.00 2.31 H new ATOM 0 HG3 PRO A 848 14.480 -19.086 26.684 1.00 2.31 H new ATOM 0 HD2 PRO A 848 15.970 -21.420 25.937 1.00 42.52 H new ATOM 0 HD3 PRO A 848 16.610 -19.951 26.646 1.00 42.52 H new ATOM 914 N LYS A 849 13.713 -23.356 29.919 1.00 73.44 N ATOM 915 CA LYS A 849 13.120 -24.679 30.017 1.00 21.53 C ATOM 916 C LYS A 849 11.853 -24.604 30.871 1.00 53.50 C ATOM 917 O LYS A 849 11.928 -24.437 32.087 1.00 3.13 O ATOM 918 CB LYS A 849 14.148 -25.690 30.531 1.00 51.12 C ATOM 919 CG LYS A 849 15.140 -26.070 29.430 1.00 61.40 C ATOM 920 CD LYS A 849 15.903 -27.345 29.796 1.00 1.12 C ATOM 921 CE LYS A 849 16.467 -27.258 31.216 1.00 54.20 C ATOM 922 NZ LYS A 849 17.557 -28.242 31.402 1.00 15.53 N ATOM 0 H LYS A 849 13.678 -22.808 30.778 1.00 73.44 H new ATOM 0 HA LYS A 849 12.820 -25.035 29.032 1.00 21.53 H new ATOM 0 HB2 LYS A 849 14.686 -25.268 31.380 1.00 51.12 H new ATOM 0 HB3 LYS A 849 13.637 -26.584 30.889 1.00 51.12 H new ATOM 0 HG2 LYS A 849 14.607 -26.218 28.491 1.00 61.40 H new ATOM 0 HG3 LYS A 849 15.844 -25.253 29.272 1.00 61.40 H new ATOM 0 HD2 LYS A 849 15.239 -28.206 29.717 1.00 1.12 H new ATOM 0 HD3 LYS A 849 16.716 -27.503 29.087 1.00 1.12 H new ATOM 0 HE2 LYS A 849 16.842 -26.252 31.404 1.00 54.20 H new ATOM 0 HE3 LYS A 849 15.674 -27.443 31.941 1.00 54.20 H new ATOM 0 HZ1 LYS A 849 17.928 -28.170 32.371 1.00 15.53 H new ATOM 0 HZ2 LYS A 849 17.189 -29.202 31.243 1.00 15.53 H new ATOM 0 HZ3 LYS A 849 18.320 -28.047 30.723 1.00 15.53 H new ATOM 935 N PRO A 850 10.687 -24.733 30.182 1.00 2.32 N ATOM 936 CA PRO A 850 9.405 -24.680 30.864 1.00 62.40 C ATOM 937 C PRO A 850 9.137 -25.978 31.629 1.00 64.43 C ATOM 938 O PRO A 850 10.058 -26.752 31.886 1.00 30.53 O ATOM 939 CB PRO A 850 8.387 -24.416 29.767 1.00 33.31 C ATOM 940 CG PRO A 850 9.072 -24.792 28.463 1.00 13.11 C ATOM 941 CD PRO A 850 10.559 -24.931 28.741 1.00 24.34 C ATOM 0 HA PRO A 850 9.364 -23.899 31.623 1.00 62.40 H new ATOM 0 HB2 PRO A 850 7.486 -25.009 29.920 1.00 33.31 H new ATOM 0 HB3 PRO A 850 8.082 -23.369 29.761 1.00 33.31 H new ATOM 0 HG2 PRO A 850 8.667 -25.727 28.075 1.00 13.11 H new ATOM 0 HG3 PRO A 850 8.895 -24.029 27.705 1.00 13.11 H new ATOM 0 HD2 PRO A 850 10.928 -25.912 28.442 1.00 24.34 H new ATOM 0 HD3 PRO A 850 11.136 -24.191 28.187 1.00 24.34 H new ATOM 949 N LYS A 851 7.873 -26.176 31.970 1.00 33.31 N ATOM 950 CA LYS A 851 7.472 -27.367 32.700 1.00 61.20 C ATOM 951 C LYS A 851 6.460 -28.155 31.866 1.00 53.20 C ATOM 952 O LYS A 851 5.908 -27.633 30.898 1.00 32.52 O ATOM 953 CB LYS A 851 6.964 -26.995 34.094 1.00 34.33 C ATOM 954 CG LYS A 851 6.262 -25.636 34.077 1.00 2.45 C ATOM 955 CD LYS A 851 4.969 -25.696 33.263 1.00 55.01 C ATOM 956 CE LYS A 851 3.942 -26.612 33.932 1.00 54.21 C ATOM 957 NZ LYS A 851 2.640 -26.529 33.233 1.00 52.33 N ATOM 0 H LYS A 851 7.112 -25.532 31.754 1.00 33.31 H new ATOM 0 HA LYS A 851 8.329 -28.021 32.862 1.00 61.20 H new ATOM 0 HB2 LYS A 851 6.274 -27.760 34.450 1.00 34.33 H new ATOM 0 HB3 LYS A 851 7.799 -26.968 34.794 1.00 34.33 H new ATOM 0 HG2 LYS A 851 6.039 -25.325 35.098 1.00 2.45 H new ATOM 0 HG3 LYS A 851 6.928 -24.884 33.653 1.00 2.45 H new ATOM 0 HD2 LYS A 851 4.554 -24.694 33.159 1.00 55.01 H new ATOM 0 HD3 LYS A 851 5.184 -26.058 32.258 1.00 55.01 H new ATOM 0 HE2 LYS A 851 4.302 -27.641 33.921 1.00 54.21 H new ATOM 0 HE3 LYS A 851 3.819 -26.328 34.977 1.00 54.21 H new ATOM 0 HZ1 LYS A 851 1.955 -27.157 33.700 1.00 52.33 H new ATOM 0 HZ2 LYS A 851 2.291 -25.550 33.265 1.00 52.33 H new ATOM 0 HZ3 LYS A 851 2.759 -26.822 32.242 1.00 52.33 H new ATOM 970 N GLN A 852 6.246 -29.398 32.272 1.00 45.13 N ATOM 971 CA GLN A 852 5.310 -30.263 31.574 1.00 41.31 C ATOM 972 C GLN A 852 5.900 -30.713 30.236 1.00 74.22 C ATOM 973 O GLN A 852 5.367 -30.385 29.177 1.00 73.22 O ATOM 974 CB GLN A 852 3.964 -29.564 31.373 1.00 40.05 C ATOM 975 CG GLN A 852 2.825 -30.582 31.291 1.00 14.15 C ATOM 976 CD GLN A 852 2.698 -31.368 32.598 1.00 61.42 C ATOM 977 OE1 GLN A 852 2.741 -30.822 33.688 1.00 64.30 O ATOM 978 NE2 GLN A 852 2.540 -32.678 32.428 1.00 52.14 N ATOM 0 H GLN A 852 6.705 -29.827 33.076 1.00 45.13 H new ATOM 0 HA GLN A 852 5.135 -31.147 32.187 1.00 41.31 H new ATOM 0 HB2 GLN A 852 3.782 -28.874 32.197 1.00 40.05 H new ATOM 0 HB3 GLN A 852 3.992 -28.969 30.460 1.00 40.05 H new ATOM 0 HG2 GLN A 852 1.887 -30.068 31.079 1.00 14.15 H new ATOM 0 HG3 GLN A 852 3.006 -31.270 30.465 1.00 14.15 H new ATOM 0 HE21 GLN A 852 2.513 -33.071 31.487 1.00 52.14 H new ATOM 0 HE22 GLN A 852 2.446 -33.290 33.239 1.00 52.14 H new ATOM 987 N PHE A 853 6.992 -31.458 30.327 1.00 14.13 N ATOM 988 CA PHE A 853 7.659 -31.957 29.137 1.00 42.30 C ATOM 989 C PHE A 853 6.808 -33.016 28.434 1.00 54.53 C ATOM 990 O PHE A 853 5.683 -33.290 28.850 1.00 23.13 O ATOM 991 CB PHE A 853 8.971 -32.596 29.595 1.00 23.40 C ATOM 992 CG PHE A 853 8.816 -33.557 30.775 1.00 22.45 C ATOM 993 CD1 PHE A 853 8.156 -34.735 30.611 1.00 14.14 C ATOM 994 CD2 PHE A 853 9.339 -33.234 31.989 1.00 72.23 C ATOM 995 CE1 PHE A 853 8.012 -35.627 31.707 1.00 53.20 C ATOM 996 CE2 PHE A 853 9.195 -34.126 33.084 1.00 32.13 C ATOM 997 CZ PHE A 853 8.534 -35.304 32.920 1.00 2.43 C ATOM 0 H PHE A 853 7.431 -31.728 31.207 1.00 14.13 H new ATOM 0 HA PHE A 853 7.827 -31.140 28.435 1.00 42.30 H new ATOM 0 HB2 PHE A 853 9.413 -33.134 28.757 1.00 23.40 H new ATOM 0 HB3 PHE A 853 9.670 -31.807 29.872 1.00 23.40 H new ATOM 0 HD1 PHE A 853 7.741 -34.992 29.647 1.00 14.14 H new ATOM 0 HD2 PHE A 853 9.864 -32.299 32.120 1.00 72.23 H new ATOM 0 HE1 PHE A 853 7.488 -36.562 31.577 1.00 53.20 H new ATOM 0 HE2 PHE A 853 9.610 -33.870 34.047 1.00 32.13 H new ATOM 0 HZ PHE A 853 8.424 -35.982 33.753 1.00 2.43 H new ATOM 1007 N SER A 854 7.376 -33.581 27.379 1.00 20.42 N ATOM 1008 CA SER A 854 6.683 -34.604 26.614 1.00 20.01 C ATOM 1009 C SER A 854 7.457 -35.922 26.681 1.00 63.04 C ATOM 1010 O SER A 854 8.451 -36.027 27.397 1.00 3.35 O ATOM 1011 CB SER A 854 6.496 -34.171 25.159 1.00 62.14 C ATOM 1012 OG SER A 854 5.432 -34.875 24.525 1.00 54.13 O ATOM 0 H SER A 854 8.308 -33.350 27.036 1.00 20.42 H new ATOM 0 HA SER A 854 5.695 -34.748 27.051 1.00 20.01 H new ATOM 0 HB2 SER A 854 6.295 -33.100 25.122 1.00 62.14 H new ATOM 0 HB3 SER A 854 7.421 -34.340 24.609 1.00 62.14 H new ATOM 0 HG SER A 854 5.344 -34.569 23.598 1.00 54.13 H new ATOM 1018 N SER A 855 6.972 -36.895 25.923 1.00 22.15 N ATOM 1019 CA SER A 855 7.606 -38.202 25.887 1.00 22.04 C ATOM 1020 C SER A 855 8.767 -38.193 24.891 1.00 4.02 C ATOM 1021 O SER A 855 8.685 -38.810 23.830 1.00 13.03 O ATOM 1022 CB SER A 855 6.599 -39.293 25.518 1.00 11.25 C ATOM 1023 OG SER A 855 5.286 -38.984 25.978 1.00 74.12 O ATOM 0 H SER A 855 6.148 -36.804 25.329 1.00 22.15 H new ATOM 0 HA SER A 855 7.991 -38.423 26.883 1.00 22.04 H new ATOM 0 HB2 SER A 855 6.583 -39.421 24.436 1.00 11.25 H new ATOM 0 HB3 SER A 855 6.919 -40.242 25.947 1.00 11.25 H new ATOM 0 HG SER A 855 4.672 -39.703 25.722 1.00 74.12 H new ATOM 1029 N PHE A 856 9.823 -37.486 25.268 1.00 31.40 N ATOM 1030 CA PHE A 856 11.000 -37.389 24.421 1.00 55.20 C ATOM 1031 C PHE A 856 12.129 -36.644 25.135 1.00 2.02 C ATOM 1032 O PHE A 856 12.007 -36.305 26.311 1.00 4.42 O ATOM 1033 CB PHE A 856 10.590 -36.598 23.177 1.00 64.44 C ATOM 1034 CG PHE A 856 10.319 -37.469 21.948 1.00 40.22 C ATOM 1035 CD1 PHE A 856 11.123 -38.532 21.677 1.00 52.13 C ATOM 1036 CD2 PHE A 856 9.274 -37.179 21.127 1.00 62.52 C ATOM 1037 CE1 PHE A 856 10.871 -39.340 20.536 1.00 0.34 C ATOM 1038 CE2 PHE A 856 9.022 -37.987 19.986 1.00 24.24 C ATOM 1039 CZ PHE A 856 9.826 -39.050 19.715 1.00 22.32 C ATOM 0 H PHE A 856 9.888 -36.975 26.148 1.00 31.40 H new ATOM 0 HA PHE A 856 11.361 -38.386 24.169 1.00 55.20 H new ATOM 0 HB2 PHE A 856 9.694 -36.020 23.405 1.00 64.44 H new ATOM 0 HB3 PHE A 856 11.378 -35.884 22.937 1.00 64.44 H new ATOM 0 HD1 PHE A 856 11.953 -38.762 22.329 1.00 52.13 H new ATOM 0 HD2 PHE A 856 8.636 -36.335 21.342 1.00 62.52 H new ATOM 0 HE1 PHE A 856 11.509 -40.184 20.321 1.00 0.34 H new ATOM 0 HE2 PHE A 856 8.192 -37.757 19.334 1.00 24.24 H new ATOM 0 HZ PHE A 856 9.635 -39.664 18.847 1.00 22.32 H new ATOM 1049 N GLU A 857 13.203 -36.412 24.394 1.00 13.44 N ATOM 1050 CA GLU A 857 14.353 -35.713 24.942 1.00 21.21 C ATOM 1051 C GLU A 857 14.399 -34.276 24.421 1.00 41.53 C ATOM 1052 O GLU A 857 14.927 -34.020 23.340 1.00 62.25 O ATOM 1053 CB GLU A 857 15.651 -36.456 24.618 1.00 51.22 C ATOM 1054 CG GLU A 857 15.525 -37.946 24.940 1.00 71.33 C ATOM 1055 CD GLU A 857 16.896 -38.564 25.223 1.00 13.35 C ATOM 1056 OE1 GLU A 857 17.230 -39.616 24.659 1.00 5.04 O ATOM 1057 OE2 GLU A 857 17.625 -37.910 26.063 1.00 50.20 O ATOM 0 H GLU A 857 13.301 -36.696 23.419 1.00 13.44 H new ATOM 0 HA GLU A 857 14.252 -35.682 26.027 1.00 21.21 H new ATOM 0 HB2 GLU A 857 15.894 -36.328 23.563 1.00 51.22 H new ATOM 0 HB3 GLU A 857 16.473 -36.025 25.189 1.00 51.22 H new ATOM 0 HG2 GLU A 857 14.876 -38.081 25.805 1.00 71.33 H new ATOM 0 HG3 GLU A 857 15.054 -38.464 24.104 1.00 71.33 H new ATOM 1065 N LYS A 858 13.839 -33.374 25.214 1.00 71.04 N ATOM 1066 CA LYS A 858 13.809 -31.969 24.846 1.00 43.35 C ATOM 1067 C LYS A 858 15.187 -31.352 25.094 1.00 43.13 C ATOM 1068 O LYS A 858 15.536 -31.040 26.231 1.00 11.52 O ATOM 1069 CB LYS A 858 12.673 -31.248 25.573 1.00 12.04 C ATOM 1070 CG LYS A 858 11.505 -32.199 25.844 1.00 2.15 C ATOM 1071 CD LYS A 858 10.175 -31.443 25.862 1.00 2.04 C ATOM 1072 CE LYS A 858 10.085 -30.520 27.080 1.00 63.44 C ATOM 1073 NZ LYS A 858 8.895 -29.646 26.981 1.00 61.34 N ATOM 0 H LYS A 858 13.402 -33.589 26.110 1.00 71.04 H new ATOM 0 HA LYS A 858 13.596 -31.859 23.783 1.00 43.35 H new ATOM 0 HB2 LYS A 858 13.040 -30.840 26.515 1.00 12.04 H new ATOM 0 HB3 LYS A 858 12.329 -30.406 24.973 1.00 12.04 H new ATOM 0 HG2 LYS A 858 11.477 -32.974 25.078 1.00 2.15 H new ATOM 0 HG3 LYS A 858 11.655 -32.701 26.800 1.00 2.15 H new ATOM 0 HD2 LYS A 858 10.073 -30.857 24.949 1.00 2.04 H new ATOM 0 HD3 LYS A 858 9.349 -32.154 25.878 1.00 2.04 H new ATOM 0 HE2 LYS A 858 10.032 -31.115 27.992 1.00 63.44 H new ATOM 0 HE3 LYS A 858 10.986 -29.911 27.149 1.00 63.44 H new ATOM 0 HZ1 LYS A 858 8.422 -29.597 27.906 1.00 61.34 H new ATOM 0 HZ2 LYS A 858 9.189 -28.691 26.691 1.00 61.34 H new ATOM 0 HZ3 LYS A 858 8.237 -30.034 26.276 1.00 61.34 H new ATOM 1086 N ARG A 859 15.934 -31.195 24.010 1.00 12.24 N ATOM 1087 CA ARG A 859 17.266 -30.621 24.096 1.00 11.12 C ATOM 1088 C ARG A 859 17.221 -29.126 23.775 1.00 4.31 C ATOM 1089 O ARG A 859 18.256 -28.460 23.758 1.00 55.22 O ATOM 1090 CB ARG A 859 18.228 -31.315 23.130 1.00 52.35 C ATOM 1091 CG ARG A 859 19.657 -31.303 23.675 1.00 1.34 C ATOM 1092 CD ARG A 859 20.672 -31.557 22.559 1.00 23.23 C ATOM 1093 NE ARG A 859 22.029 -31.177 23.013 1.00 52.44 N ATOM 1094 CZ ARG A 859 23.119 -31.172 22.217 1.00 63.31 C ATOM 1095 NH1 ARG A 859 23.021 -31.529 20.919 1.00 45.15 N ATOM 1096 NH2 ARG A 859 24.283 -30.814 22.727 1.00 32.34 N ATOM 0 H ARG A 859 15.642 -31.455 23.068 1.00 12.24 H new ATOM 0 HA ARG A 859 17.625 -30.766 25.115 1.00 11.12 H new ATOM 0 HB2 ARG A 859 17.906 -32.344 22.967 1.00 52.35 H new ATOM 0 HB3 ARG A 859 18.200 -30.815 22.162 1.00 52.35 H new ATOM 0 HG2 ARG A 859 19.862 -30.342 24.146 1.00 1.34 H new ATOM 0 HG3 ARG A 859 19.762 -32.065 24.447 1.00 1.34 H new ATOM 0 HD2 ARG A 859 20.656 -32.609 22.274 1.00 23.23 H new ATOM 0 HD3 ARG A 859 20.402 -30.983 21.673 1.00 23.23 H new ATOM 0 HE ARG A 859 22.148 -30.902 23.988 1.00 52.44 H new ATOM 0 HH11 ARG A 859 22.118 -31.805 20.533 1.00 45.15 H new ATOM 0 HH12 ARG A 859 23.850 -31.522 20.324 1.00 45.15 H new ATOM 0 HH21 ARG A 859 24.349 -30.547 23.709 1.00 32.34 H new ATOM 0 HH22 ARG A 859 25.116 -30.805 22.139 1.00 32.34 H new ATOM 1109 N ALA A 860 16.013 -28.642 23.529 1.00 50.52 N ATOM 1110 CA ALA A 860 15.820 -27.237 23.209 1.00 22.22 C ATOM 1111 C ALA A 860 14.329 -26.966 23.002 1.00 72.04 C ATOM 1112 O ALA A 860 13.611 -27.806 22.460 1.00 10.53 O ATOM 1113 CB ALA A 860 16.656 -26.874 21.980 1.00 15.10 C ATOM 0 H ALA A 860 15.158 -29.197 23.545 1.00 50.52 H new ATOM 0 HA ALA A 860 16.158 -26.606 24.031 1.00 22.22 H new ATOM 0 HB1 ALA A 860 16.511 -25.821 21.740 1.00 15.10 H new ATOM 0 HB2 ALA A 860 17.710 -27.057 22.190 1.00 15.10 H new ATOM 0 HB3 ALA A 860 16.343 -27.485 21.134 1.00 15.10 H new ATOM 1119 N LYS A 861 13.907 -25.790 23.443 1.00 72.21 N ATOM 1120 CA LYS A 861 12.514 -25.398 23.312 1.00 12.23 C ATOM 1121 C LYS A 861 12.353 -24.506 22.079 1.00 21.14 C ATOM 1122 O LYS A 861 13.329 -23.944 21.584 1.00 73.31 O ATOM 1123 CB LYS A 861 12.015 -24.753 24.607 1.00 41.10 C ATOM 1124 CG LYS A 861 11.655 -25.817 25.646 1.00 54.30 C ATOM 1125 CD LYS A 861 12.908 -26.346 26.347 1.00 53.35 C ATOM 1126 CE LYS A 861 12.693 -27.775 26.849 1.00 12.32 C ATOM 1127 NZ LYS A 861 12.274 -27.767 28.269 1.00 62.33 N ATOM 0 H LYS A 861 14.505 -25.096 23.891 1.00 72.21 H new ATOM 0 HA LYS A 861 11.885 -26.274 23.156 1.00 12.23 H new ATOM 0 HB2 LYS A 861 12.784 -24.093 25.009 1.00 41.10 H new ATOM 0 HB3 LYS A 861 11.142 -24.135 24.397 1.00 41.10 H new ATOM 0 HG2 LYS A 861 10.973 -25.394 26.383 1.00 54.30 H new ATOM 0 HG3 LYS A 861 11.130 -26.640 25.162 1.00 54.30 H new ATOM 0 HD2 LYS A 861 13.752 -26.322 25.658 1.00 53.35 H new ATOM 0 HD3 LYS A 861 13.162 -25.697 27.185 1.00 53.35 H new ATOM 0 HE2 LYS A 861 11.934 -28.270 26.242 1.00 12.32 H new ATOM 0 HE3 LYS A 861 13.613 -28.348 26.738 1.00 12.32 H new ATOM 0 HZ1 LYS A 861 12.720 -28.564 28.767 1.00 62.33 H new ATOM 0 HZ2 LYS A 861 12.568 -26.873 28.713 1.00 62.33 H new ATOM 0 HZ3 LYS A 861 11.240 -27.858 28.326 1.00 62.33 H new ATOM 1140 N ILE A 862 11.115 -24.404 21.620 1.00 73.12 N ATOM 1141 CA ILE A 862 10.814 -23.590 20.454 1.00 33.23 C ATOM 1142 C ILE A 862 9.718 -22.583 20.810 1.00 23.10 C ATOM 1143 O ILE A 862 8.898 -22.838 21.690 1.00 11.14 O ATOM 1144 CB ILE A 862 10.468 -24.477 19.256 1.00 3.03 C ATOM 1145 CG1 ILE A 862 9.016 -24.953 19.327 1.00 30.12 C ATOM 1146 CG2 ILE A 862 11.449 -25.645 19.138 1.00 64.11 C ATOM 1147 CD1 ILE A 862 8.115 -24.102 18.430 1.00 44.31 C ATOM 0 H ILE A 862 10.308 -24.871 22.034 1.00 73.12 H new ATOM 0 HA ILE A 862 11.690 -23.016 20.154 1.00 33.23 H new ATOM 0 HB ILE A 862 10.567 -23.880 18.349 1.00 3.03 H new ATOM 0 HG12 ILE A 862 8.957 -25.998 19.022 1.00 30.12 H new ATOM 0 HG13 ILE A 862 8.663 -24.902 20.357 1.00 30.12 H new ATOM 0 HG21 ILE A 862 11.181 -26.260 18.279 1.00 64.11 H new ATOM 0 HG22 ILE A 862 12.460 -25.259 19.007 1.00 64.11 H new ATOM 0 HG23 ILE A 862 11.406 -26.249 20.044 1.00 64.11 H new ATOM 0 HD11 ILE A 862 7.088 -24.462 18.499 1.00 44.31 H new ATOM 0 HD12 ILE A 862 8.158 -23.062 18.753 1.00 44.31 H new ATOM 0 HD13 ILE A 862 8.456 -24.175 17.397 1.00 44.31 H new ATOM 1159 N PHE A 863 9.740 -21.460 20.107 1.00 24.13 N ATOM 1160 CA PHE A 863 8.759 -20.413 20.338 1.00 63.41 C ATOM 1161 C PHE A 863 8.496 -19.617 19.058 1.00 32.22 C ATOM 1162 O PHE A 863 9.123 -19.864 18.029 1.00 11.12 O ATOM 1163 CB PHE A 863 9.345 -19.476 21.396 1.00 62.41 C ATOM 1164 CG PHE A 863 10.048 -20.199 22.546 1.00 25.45 C ATOM 1165 CD1 PHE A 863 11.242 -20.815 22.334 1.00 23.12 C ATOM 1166 CD2 PHE A 863 9.480 -20.226 23.782 1.00 74.24 C ATOM 1167 CE1 PHE A 863 11.895 -21.486 23.402 1.00 21.00 C ATOM 1168 CE2 PHE A 863 10.132 -20.897 24.849 1.00 23.04 C ATOM 1169 CZ PHE A 863 11.326 -21.513 24.637 1.00 2.21 C ATOM 0 H PHE A 863 10.422 -21.252 19.377 1.00 24.13 H new ATOM 0 HA PHE A 863 7.815 -20.852 20.662 1.00 63.41 H new ATOM 0 HB2 PHE A 863 10.055 -18.802 20.916 1.00 62.41 H new ATOM 0 HB3 PHE A 863 8.544 -18.859 21.804 1.00 62.41 H new ATOM 0 HD1 PHE A 863 11.694 -20.794 21.353 1.00 23.12 H new ATOM 0 HD2 PHE A 863 8.532 -19.736 23.951 1.00 74.24 H new ATOM 0 HE1 PHE A 863 12.843 -21.975 23.233 1.00 21.00 H new ATOM 0 HE2 PHE A 863 9.680 -20.919 25.830 1.00 23.04 H new ATOM 0 HZ PHE A 863 11.822 -22.023 25.449 1.00 2.21 H new ATOM 1179 N CYS A 864 7.567 -18.678 19.164 1.00 22.22 N ATOM 1180 CA CYS A 864 7.213 -17.844 18.028 1.00 20.22 C ATOM 1181 C CYS A 864 8.345 -16.842 17.797 1.00 42.51 C ATOM 1182 O CYS A 864 8.751 -16.135 18.718 1.00 23.03 O ATOM 1183 CB CYS A 864 5.867 -17.147 18.236 1.00 71.30 C ATOM 1184 SG CYS A 864 6.058 -15.755 19.408 1.00 15.11 S ATOM 0 H CYS A 864 7.049 -18.476 20.019 1.00 22.22 H new ATOM 0 HA CYS A 864 7.093 -18.465 17.141 1.00 20.22 H new ATOM 0 HB2 CYS A 864 5.487 -16.781 17.282 1.00 71.30 H new ATOM 0 HB3 CYS A 864 5.135 -17.858 18.619 1.00 71.30 H new ATOM 0 HG CYS A 864 7.321 -15.490 19.564 1.00 15.11 H new ATOM 1190 N ALA A 865 8.823 -16.811 16.562 1.00 71.45 N ATOM 1191 CA ALA A 865 9.900 -15.907 16.198 1.00 43.15 C ATOM 1192 C ALA A 865 9.393 -14.465 16.260 1.00 11.13 C ATOM 1193 O ALA A 865 10.183 -13.523 16.228 1.00 23.03 O ATOM 1194 CB ALA A 865 10.432 -16.278 14.812 1.00 64.01 C ATOM 0 H ALA A 865 8.484 -17.398 15.800 1.00 71.45 H new ATOM 0 HA ALA A 865 10.729 -15.996 16.900 1.00 43.15 H new ATOM 0 HB1 ALA A 865 11.240 -15.600 14.539 1.00 64.01 H new ATOM 0 HB2 ALA A 865 10.807 -17.301 14.828 1.00 64.01 H new ATOM 0 HB3 ALA A 865 9.628 -16.198 14.080 1.00 64.01 H new ATOM 1200 N ARG A 866 8.077 -14.338 16.349 1.00 41.34 N ATOM 1201 CA ARG A 866 7.455 -13.026 16.416 1.00 32.41 C ATOM 1202 C ARG A 866 7.911 -12.286 17.675 1.00 23.41 C ATOM 1203 O ARG A 866 8.760 -12.780 18.416 1.00 45.32 O ATOM 1204 CB ARG A 866 5.929 -13.141 16.425 1.00 42.51 C ATOM 1205 CG ARG A 866 5.418 -13.751 15.119 1.00 75.14 C ATOM 1206 CD ARG A 866 5.948 -12.980 13.908 1.00 11.12 C ATOM 1207 NE ARG A 866 7.229 -13.567 13.456 1.00 41.30 N ATOM 1208 CZ ARG A 866 7.755 -13.381 12.227 1.00 53.55 C ATOM 1209 NH1 ARG A 866 7.112 -12.620 11.315 1.00 70.55 N ATOM 1210 NH2 ARG A 866 8.906 -13.953 11.929 1.00 4.14 N ATOM 0 H ARG A 866 7.424 -15.122 16.376 1.00 41.34 H new ATOM 0 HA ARG A 866 7.761 -12.468 15.531 1.00 32.41 H new ATOM 0 HB2 ARG A 866 5.612 -13.757 17.267 1.00 42.51 H new ATOM 0 HB3 ARG A 866 5.487 -12.155 16.567 1.00 42.51 H new ATOM 0 HG2 ARG A 866 5.729 -14.794 15.055 1.00 75.14 H new ATOM 0 HG3 ARG A 866 4.328 -13.742 15.111 1.00 75.14 H new ATOM 0 HD2 ARG A 866 5.218 -13.011 13.099 1.00 11.12 H new ATOM 0 HD3 ARG A 866 6.091 -11.931 14.168 1.00 11.12 H new ATOM 0 HE ARG A 866 7.747 -14.149 14.115 1.00 41.30 H new ATOM 0 HH11 ARG A 866 6.223 -12.181 11.553 1.00 70.55 H new ATOM 0 HH12 ARG A 866 7.516 -12.484 10.388 1.00 70.55 H new ATOM 0 HH21 ARG A 866 9.385 -14.526 12.623 1.00 4.14 H new ATOM 0 HH22 ARG A 866 9.316 -13.822 11.004 1.00 4.14 H new ATOM 1223 N GLN A 867 7.327 -11.115 17.879 1.00 43.33 N ATOM 1224 CA GLN A 867 7.663 -10.302 19.035 1.00 5.13 C ATOM 1225 C GLN A 867 7.460 -11.102 20.323 1.00 23.05 C ATOM 1226 O GLN A 867 8.360 -11.180 21.158 1.00 1.15 O ATOM 1227 CB GLN A 867 6.842 -9.011 19.056 1.00 31.50 C ATOM 1228 CG GLN A 867 7.537 -7.932 19.889 1.00 72.33 C ATOM 1229 CD GLN A 867 8.537 -7.145 19.040 1.00 2.43 C ATOM 1230 OE1 GLN A 867 8.455 -7.095 17.824 1.00 2.41 O ATOM 1231 NE2 GLN A 867 9.484 -6.534 19.748 1.00 54.14 N ATOM 0 H GLN A 867 6.623 -10.709 17.263 1.00 43.33 H new ATOM 0 HA GLN A 867 8.714 -10.023 18.965 1.00 5.13 H new ATOM 0 HB2 GLN A 867 6.697 -8.652 18.037 1.00 31.50 H new ATOM 0 HB3 GLN A 867 5.853 -9.212 19.467 1.00 31.50 H new ATOM 0 HG2 GLN A 867 6.793 -7.252 20.305 1.00 72.33 H new ATOM 0 HG3 GLN A 867 8.053 -8.393 20.731 1.00 72.33 H new ATOM 0 HE21 GLN A 867 9.494 -6.617 20.765 1.00 54.14 H new ATOM 0 HE22 GLN A 867 10.199 -5.983 19.274 1.00 54.14 H new ATOM 1240 N ASN A 868 6.273 -11.676 20.444 1.00 35.54 N ATOM 1241 CA ASN A 868 5.940 -12.468 21.617 1.00 52.22 C ATOM 1242 C ASN A 868 7.131 -13.356 21.982 1.00 32.00 C ATOM 1243 O ASN A 868 7.559 -14.186 21.182 1.00 62.03 O ATOM 1244 CB ASN A 868 4.739 -13.376 21.346 1.00 55.43 C ATOM 1245 CG ASN A 868 3.428 -12.673 21.705 1.00 51.44 C ATOM 1246 OD1 ASN A 868 3.280 -11.470 21.564 1.00 54.13 O ATOM 1247 ND2 ASN A 868 2.488 -13.488 22.175 1.00 1.41 N ATOM 0 H ASN A 868 5.529 -11.609 19.749 1.00 35.54 H new ATOM 0 HA ASN A 868 5.698 -11.782 22.429 1.00 52.22 H new ATOM 0 HB2 ASN A 868 4.726 -13.663 20.295 1.00 55.43 H new ATOM 0 HB3 ASN A 868 4.834 -14.294 21.926 1.00 55.43 H new ATOM 0 HD21 ASN A 868 1.577 -13.115 22.443 1.00 1.41 H new ATOM 0 HD22 ASN A 868 2.678 -14.486 22.268 1.00 1.41 H new ATOM 1254 N CYS A 869 7.632 -13.151 23.191 1.00 31.33 N ATOM 1255 CA CYS A 869 8.765 -13.923 23.672 1.00 20.24 C ATOM 1256 C CYS A 869 8.265 -14.893 24.745 1.00 70.45 C ATOM 1257 O CYS A 869 8.911 -15.902 25.024 1.00 3.12 O ATOM 1258 CB CYS A 869 9.883 -13.020 24.197 1.00 40.12 C ATOM 1259 SG CYS A 869 11.493 -13.880 24.071 1.00 45.24 S ATOM 0 H CYS A 869 7.274 -12.461 23.852 1.00 31.33 H new ATOM 0 HA CYS A 869 9.200 -14.487 22.847 1.00 20.24 H new ATOM 0 HB2 CYS A 869 9.911 -12.092 23.625 1.00 40.12 H new ATOM 0 HB3 CYS A 869 9.686 -12.749 25.234 1.00 40.12 H new ATOM 0 HG CYS A 869 12.436 -13.104 24.517 1.00 45.24 H new ATOM 1265 N SER A 870 7.119 -14.554 25.316 1.00 74.43 N ATOM 1266 CA SER A 870 6.524 -15.383 26.351 1.00 44.01 C ATOM 1267 C SER A 870 5.465 -16.303 25.741 1.00 65.51 C ATOM 1268 O SER A 870 4.454 -16.599 26.376 1.00 42.32 O ATOM 1269 CB SER A 870 5.908 -14.525 27.457 1.00 12.51 C ATOM 1270 OG SER A 870 5.067 -13.501 26.932 1.00 13.12 O ATOM 0 H SER A 870 6.586 -13.716 25.082 1.00 74.43 H new ATOM 0 HA SER A 870 7.311 -15.991 26.796 1.00 44.01 H new ATOM 0 HB2 SER A 870 5.330 -15.160 28.129 1.00 12.51 H new ATOM 0 HB3 SER A 870 6.703 -14.073 28.050 1.00 12.51 H new ATOM 0 HG SER A 870 4.691 -12.976 27.669 1.00 13.12 H new ATOM 1276 N HIS A 871 5.734 -16.731 24.516 1.00 22.51 N ATOM 1277 CA HIS A 871 4.817 -17.612 23.813 1.00 21.51 C ATOM 1278 C HIS A 871 5.564 -18.863 23.344 1.00 4.52 C ATOM 1279 O HIS A 871 6.422 -18.785 22.466 1.00 4.33 O ATOM 1280 CB HIS A 871 4.123 -16.872 22.668 1.00 30.22 C ATOM 1281 CG HIS A 871 2.966 -17.628 22.061 1.00 75.14 C ATOM 1282 ND1 HIS A 871 1.731 -17.732 22.678 1.00 23.20 N ATOM 1283 CD2 HIS A 871 2.868 -18.314 20.886 1.00 75.13 C ATOM 1284 CE1 HIS A 871 0.934 -18.451 21.901 1.00 25.44 C ATOM 1285 NE2 HIS A 871 1.641 -18.812 20.791 1.00 14.44 N ATOM 0 H HIS A 871 6.574 -16.484 23.993 1.00 22.51 H new ATOM 0 HA HIS A 871 4.027 -17.936 24.491 1.00 21.51 H new ATOM 0 HB2 HIS A 871 3.763 -15.911 23.035 1.00 30.22 H new ATOM 0 HB3 HIS A 871 4.855 -16.661 21.888 1.00 30.22 H new ATOM 0 HD2 HIS A 871 3.655 -18.432 20.156 1.00 75.13 H new ATOM 0 HE1 HIS A 871 -0.094 -18.706 22.110 1.00 25.44 H new ATOM 0 HE2 HIS A 871 1.285 -19.372 20.016 1.00 14.44 H new ATOM 1293 N ASP A 872 5.211 -19.986 23.951 1.00 70.34 N ATOM 1294 CA ASP A 872 5.837 -21.251 23.606 1.00 23.43 C ATOM 1295 C ASP A 872 4.908 -22.041 22.682 1.00 40.30 C ATOM 1296 O ASP A 872 3.799 -22.403 23.073 1.00 44.04 O ATOM 1297 CB ASP A 872 6.092 -22.098 24.855 1.00 3.41 C ATOM 1298 CG ASP A 872 4.833 -22.595 25.568 1.00 52.24 C ATOM 1299 OD1 ASP A 872 4.119 -21.818 26.220 1.00 65.21 O ATOM 1300 OD2 ASP A 872 4.591 -23.854 25.431 1.00 75.40 O ATOM 0 H ASP A 872 4.500 -20.047 24.680 1.00 70.34 H new ATOM 0 HA ASP A 872 6.786 -21.034 23.116 1.00 23.43 H new ATOM 0 HB2 ASP A 872 6.696 -22.960 24.573 1.00 3.41 H new ATOM 0 HB3 ASP A 872 6.682 -21.511 25.559 1.00 3.41 H new ATOM 1306 N TRP A 873 5.394 -22.284 21.474 1.00 45.12 N ATOM 1307 CA TRP A 873 4.621 -23.024 20.491 1.00 43.33 C ATOM 1308 C TRP A 873 4.649 -24.502 20.883 1.00 62.43 C ATOM 1309 O TRP A 873 3.602 -25.111 21.096 1.00 21.53 O ATOM 1310 CB TRP A 873 5.147 -22.770 19.076 1.00 33.14 C ATOM 1311 CG TRP A 873 4.628 -21.478 18.442 1.00 2.23 C ATOM 1312 CD1 TRP A 873 3.859 -20.535 19.003 1.00 54.22 C ATOM 1313 CD2 TRP A 873 4.875 -21.022 17.095 1.00 13.14 C ATOM 1314 NE1 TRP A 873 3.592 -19.509 18.119 1.00 0.53 N ATOM 1315 CE2 TRP A 873 4.230 -19.814 16.923 1.00 73.24 C ATOM 1316 CE3 TRP A 873 5.618 -21.610 16.057 1.00 23.44 C ATOM 1317 CZ2 TRP A 873 4.263 -19.092 15.724 1.00 71.03 C ATOM 1318 CZ3 TRP A 873 5.642 -20.876 14.866 1.00 74.15 C ATOM 1319 CH2 TRP A 873 4.998 -19.659 14.676 1.00 75.14 C ATOM 0 H TRP A 873 6.314 -21.982 21.153 1.00 45.12 H new ATOM 0 HA TRP A 873 3.585 -22.686 20.481 1.00 43.33 H new ATOM 0 HB2 TRP A 873 6.236 -22.737 19.105 1.00 33.14 H new ATOM 0 HB3 TRP A 873 4.871 -23.611 18.440 1.00 33.14 H new ATOM 0 HD1 TRP A 873 3.494 -20.573 20.019 1.00 54.22 H new ATOM 0 HE1 TRP A 873 3.030 -18.679 18.309 1.00 0.53 H new ATOM 0 HE3 TRP A 873 6.130 -22.554 16.170 1.00 23.44 H new ATOM 0 HZ2 TRP A 873 3.749 -18.149 15.613 1.00 71.03 H new ATOM 0 HZ3 TRP A 873 6.200 -21.284 14.036 1.00 74.15 H new ATOM 0 HH2 TRP A 873 5.064 -19.153 13.724 1.00 75.14 H new ATOM 1330 N GLY A 874 5.859 -25.037 20.965 1.00 34.02 N ATOM 1331 CA GLY A 874 6.037 -26.433 21.328 1.00 54.23 C ATOM 1332 C GLY A 874 7.399 -26.659 21.986 1.00 1.23 C ATOM 1333 O GLY A 874 7.810 -25.887 22.852 1.00 72.33 O ATOM 0 H GLY A 874 6.725 -24.529 20.786 1.00 34.02 H new ATOM 0 HA2 GLY A 874 5.244 -26.739 22.011 1.00 54.23 H new ATOM 0 HA3 GLY A 874 5.951 -27.058 20.439 1.00 54.23 H new ATOM 1337 N ILE A 875 8.062 -27.720 21.551 1.00 22.12 N ATOM 1338 CA ILE A 875 9.370 -28.057 22.088 1.00 72.44 C ATOM 1339 C ILE A 875 10.195 -28.757 21.006 1.00 43.43 C ATOM 1340 O ILE A 875 9.640 -29.329 20.069 1.00 21.33 O ATOM 1341 CB ILE A 875 9.227 -28.872 23.375 1.00 71.12 C ATOM 1342 CG1 ILE A 875 8.007 -29.794 23.308 1.00 45.12 C ATOM 1343 CG2 ILE A 875 9.188 -27.958 24.601 1.00 54.31 C ATOM 1344 CD1 ILE A 875 8.183 -30.857 22.222 1.00 60.32 C ATOM 0 H ILE A 875 7.718 -28.358 20.833 1.00 22.12 H new ATOM 0 HA ILE A 875 9.911 -27.153 22.369 1.00 72.44 H new ATOM 0 HB ILE A 875 10.106 -29.508 23.476 1.00 71.12 H new ATOM 0 HG12 ILE A 875 7.858 -30.277 24.274 1.00 45.12 H new ATOM 0 HG13 ILE A 875 7.112 -29.205 23.104 1.00 45.12 H new ATOM 0 HG21 ILE A 875 9.086 -28.562 25.502 1.00 54.31 H new ATOM 0 HG22 ILE A 875 10.111 -27.381 24.654 1.00 54.31 H new ATOM 0 HG23 ILE A 875 8.339 -27.279 24.522 1.00 54.31 H new ATOM 0 HD11 ILE A 875 7.303 -31.499 22.195 1.00 60.32 H new ATOM 0 HD12 ILE A 875 8.308 -30.371 21.254 1.00 60.32 H new ATOM 0 HD13 ILE A 875 9.065 -31.459 22.442 1.00 60.32 H new ATOM 1356 N HIS A 876 11.508 -28.687 21.170 1.00 0.24 N ATOM 1357 CA HIS A 876 12.416 -29.306 20.219 1.00 14.14 C ATOM 1358 C HIS A 876 13.035 -30.559 20.842 1.00 2.42 C ATOM 1359 O HIS A 876 13.880 -30.462 21.731 1.00 12.31 O ATOM 1360 CB HIS A 876 13.465 -28.302 19.738 1.00 70.35 C ATOM 1361 CG HIS A 876 13.934 -28.536 18.321 1.00 32.42 C ATOM 1362 ND1 HIS A 876 14.494 -29.732 17.905 1.00 51.42 N ATOM 1363 CD2 HIS A 876 13.919 -27.717 17.231 1.00 61.44 C ATOM 1364 CE1 HIS A 876 14.800 -29.625 16.620 1.00 34.02 C ATOM 1365 NE2 HIS A 876 14.443 -28.376 16.204 1.00 1.13 N ATOM 0 H HIS A 876 11.965 -28.211 21.948 1.00 0.24 H new ATOM 0 HA HIS A 876 11.864 -29.618 19.333 1.00 14.14 H new ATOM 0 HB2 HIS A 876 13.051 -27.296 19.812 1.00 70.35 H new ATOM 0 HB3 HIS A 876 14.325 -28.343 20.406 1.00 70.35 H new ATOM 0 HD1 HIS A 876 14.645 -30.555 18.488 1.00 51.42 H new ATOM 0 HD2 HIS A 876 13.545 -26.704 17.207 1.00 61.44 H new ATOM 0 HE1 HIS A 876 15.253 -30.392 16.009 1.00 34.02 H new ATOM 1373 N VAL A 877 12.591 -31.706 20.351 1.00 62.12 N ATOM 1374 CA VAL A 877 13.091 -32.977 20.848 1.00 44.42 C ATOM 1375 C VAL A 877 14.078 -33.563 19.836 1.00 54.35 C ATOM 1376 O VAL A 877 14.464 -32.892 18.880 1.00 53.34 O ATOM 1377 CB VAL A 877 11.923 -33.915 21.156 1.00 54.31 C ATOM 1378 CG1 VAL A 877 11.110 -33.405 22.347 1.00 14.34 C ATOM 1379 CG2 VAL A 877 11.033 -34.104 19.926 1.00 71.43 C ATOM 0 H VAL A 877 11.890 -31.782 19.614 1.00 62.12 H new ATOM 0 HA VAL A 877 13.631 -32.835 21.784 1.00 44.42 H new ATOM 0 HB VAL A 877 12.336 -34.888 21.424 1.00 54.31 H new ATOM 0 HG11 VAL A 877 10.286 -34.090 22.545 1.00 14.34 H new ATOM 0 HG12 VAL A 877 11.751 -33.345 23.226 1.00 14.34 H new ATOM 0 HG13 VAL A 877 10.713 -32.416 22.120 1.00 14.34 H new ATOM 0 HG21 VAL A 877 10.210 -34.775 20.172 1.00 71.43 H new ATOM 0 HG22 VAL A 877 10.633 -33.139 19.614 1.00 71.43 H new ATOM 0 HG23 VAL A 877 11.621 -34.533 19.114 1.00 71.43 H new ATOM 1389 N LYS A 878 14.457 -34.808 20.080 1.00 20.31 N ATOM 1390 CA LYS A 878 15.391 -35.492 19.202 1.00 71.32 C ATOM 1391 C LYS A 878 15.030 -36.978 19.138 1.00 55.32 C ATOM 1392 O LYS A 878 14.863 -37.625 20.171 1.00 51.34 O ATOM 1393 CB LYS A 878 16.832 -35.228 19.642 1.00 21.43 C ATOM 1394 CG LYS A 878 17.795 -36.224 18.992 1.00 42.42 C ATOM 1395 CD LYS A 878 18.082 -37.400 19.927 1.00 70.22 C ATOM 1396 CE LYS A 878 19.219 -38.268 19.384 1.00 42.35 C ATOM 1397 NZ LYS A 878 19.294 -39.547 20.123 1.00 32.34 N ATOM 0 H LYS A 878 14.134 -35.362 20.874 1.00 20.31 H new ATOM 0 HA LYS A 878 15.315 -35.101 18.187 1.00 71.32 H new ATOM 0 HB2 LYS A 878 17.118 -34.211 19.372 1.00 21.43 H new ATOM 0 HB3 LYS A 878 16.904 -35.302 20.727 1.00 21.43 H new ATOM 0 HG2 LYS A 878 17.368 -36.592 18.059 1.00 42.42 H new ATOM 0 HG3 LYS A 878 18.728 -35.721 18.738 1.00 42.42 H new ATOM 0 HD2 LYS A 878 18.346 -37.026 20.916 1.00 70.22 H new ATOM 0 HD3 LYS A 878 17.182 -38.004 20.044 1.00 70.22 H new ATOM 0 HE2 LYS A 878 19.061 -38.463 18.323 1.00 42.35 H new ATOM 0 HE3 LYS A 878 20.165 -37.734 19.472 1.00 42.35 H new ATOM 0 HZ1 LYS A 878 20.288 -39.771 20.329 1.00 32.34 H new ATOM 0 HZ2 LYS A 878 18.766 -39.464 21.015 1.00 32.34 H new ATOM 0 HZ3 LYS A 878 18.880 -40.306 19.545 1.00 32.34 H new ATOM 1410 N TYR A 879 14.919 -37.475 17.915 1.00 41.12 N ATOM 1411 CA TYR A 879 14.581 -38.872 17.703 1.00 55.14 C ATOM 1412 C TYR A 879 15.824 -39.690 17.349 1.00 3.12 C ATOM 1413 O TYR A 879 16.865 -39.129 17.012 1.00 45.34 O ATOM 1414 CB TYR A 879 13.615 -38.896 16.516 1.00 33.32 C ATOM 1415 CG TYR A 879 12.299 -38.158 16.770 1.00 50.22 C ATOM 1416 CD1 TYR A 879 12.302 -36.793 16.973 1.00 53.35 C ATOM 1417 CD2 TYR A 879 11.109 -38.857 16.796 1.00 41.12 C ATOM 1418 CE1 TYR A 879 11.063 -36.098 17.211 1.00 3.22 C ATOM 1419 CE2 TYR A 879 9.871 -38.162 17.034 1.00 12.15 C ATOM 1420 CZ TYR A 879 9.909 -36.817 17.230 1.00 10.45 C ATOM 1421 OH TYR A 879 8.739 -36.160 17.456 1.00 64.31 O ATOM 0 H TYR A 879 15.057 -36.935 17.061 1.00 41.12 H new ATOM 0 HA TYR A 879 14.147 -39.303 18.605 1.00 55.14 H new ATOM 0 HB2 TYR A 879 14.108 -38.452 15.651 1.00 33.32 H new ATOM 0 HB3 TYR A 879 13.395 -39.933 16.261 1.00 33.32 H new ATOM 0 HD1 TYR A 879 13.233 -36.246 16.953 1.00 53.35 H new ATOM 0 HD2 TYR A 879 11.107 -39.925 16.638 1.00 41.12 H new ATOM 0 HE1 TYR A 879 11.051 -35.030 17.371 1.00 3.22 H new ATOM 0 HE2 TYR A 879 8.933 -38.697 17.056 1.00 12.15 H new ATOM 0 HH TYR A 879 8.040 -36.807 17.687 1.00 64.31 H new ATOM 1431 N LYS A 880 15.675 -41.003 17.439 1.00 72.31 N ATOM 1432 CA LYS A 880 16.773 -41.904 17.133 1.00 60.21 C ATOM 1433 C LYS A 880 16.977 -41.956 15.617 1.00 22.15 C ATOM 1434 O LYS A 880 17.880 -42.636 15.132 1.00 32.30 O ATOM 1435 CB LYS A 880 16.534 -43.275 17.769 1.00 63.35 C ATOM 1436 CG LYS A 880 16.968 -43.282 19.236 1.00 73.31 C ATOM 1437 CD LYS A 880 16.351 -42.106 19.995 1.00 0.14 C ATOM 1438 CE LYS A 880 16.317 -42.382 21.500 1.00 43.21 C ATOM 1439 NZ LYS A 880 17.658 -42.780 21.984 1.00 2.50 N ATOM 0 H LYS A 880 14.810 -41.465 17.720 1.00 72.31 H new ATOM 0 HA LYS A 880 17.702 -41.534 17.567 1.00 60.21 H new ATOM 0 HB2 LYS A 880 15.478 -43.534 17.697 1.00 63.35 H new ATOM 0 HB3 LYS A 880 17.087 -44.036 17.219 1.00 63.35 H new ATOM 0 HG2 LYS A 880 16.667 -44.219 19.704 1.00 73.31 H new ATOM 0 HG3 LYS A 880 18.055 -43.229 19.298 1.00 73.31 H new ATOM 0 HD2 LYS A 880 16.926 -41.201 19.801 1.00 0.14 H new ATOM 0 HD3 LYS A 880 15.339 -41.925 19.632 1.00 0.14 H new ATOM 0 HE2 LYS A 880 15.981 -41.492 22.032 1.00 43.21 H new ATOM 0 HE3 LYS A 880 15.597 -43.172 21.715 1.00 43.21 H new ATOM 0 HZ1 LYS A 880 17.701 -42.669 23.017 1.00 2.50 H new ATOM 0 HZ2 LYS A 880 17.836 -43.774 21.735 1.00 2.50 H new ATOM 0 HZ3 LYS A 880 18.380 -42.177 21.540 1.00 2.50 H new ATOM 1452 N THR A 881 16.124 -41.228 14.912 1.00 33.33 N ATOM 1453 CA THR A 881 16.199 -41.183 13.462 1.00 41.21 C ATOM 1454 C THR A 881 16.694 -39.812 12.996 1.00 15.14 C ATOM 1455 O THR A 881 17.608 -39.723 12.179 1.00 4.41 O ATOM 1456 CB THR A 881 14.823 -41.554 12.905 1.00 2.11 C ATOM 1457 OG1 THR A 881 14.717 -40.791 11.706 1.00 33.12 O ATOM 1458 CG2 THR A 881 13.679 -41.036 13.779 1.00 71.31 C ATOM 0 H THR A 881 15.377 -40.664 15.318 1.00 33.33 H new ATOM 0 HA THR A 881 16.924 -41.902 13.081 1.00 41.21 H new ATOM 0 HB THR A 881 14.748 -42.638 12.814 1.00 2.11 H new ATOM 0 HG1 THR A 881 13.854 -40.972 11.278 1.00 33.12 H new ATOM 0 HG21 THR A 881 12.725 -41.326 13.339 1.00 71.31 H new ATOM 0 HG22 THR A 881 13.763 -41.463 14.778 1.00 71.31 H new ATOM 0 HG23 THR A 881 13.733 -39.949 13.843 1.00 71.31 H new ATOM 1466 N PHE A 882 16.066 -38.777 13.537 1.00 63.52 N ATOM 1467 CA PHE A 882 16.431 -37.415 13.187 1.00 20.10 C ATOM 1468 C PHE A 882 16.140 -36.456 14.343 1.00 54.43 C ATOM 1469 O PHE A 882 15.561 -36.853 15.353 1.00 51.41 O ATOM 1470 CB PHE A 882 15.575 -37.018 11.982 1.00 25.43 C ATOM 1471 CG PHE A 882 16.241 -37.286 10.631 1.00 24.10 C ATOM 1472 CD1 PHE A 882 17.387 -36.634 10.296 1.00 13.42 C ATOM 1473 CD2 PHE A 882 15.688 -38.177 9.765 1.00 51.42 C ATOM 1474 CE1 PHE A 882 18.005 -36.882 9.042 1.00 33.11 C ATOM 1475 CE2 PHE A 882 16.306 -38.425 8.511 1.00 70.12 C ATOM 1476 CZ PHE A 882 17.451 -37.773 8.176 1.00 43.41 C ATOM 0 H PHE A 882 15.307 -38.855 14.214 1.00 63.52 H new ATOM 0 HA PHE A 882 17.497 -37.360 12.964 1.00 20.10 H new ATOM 0 HB2 PHE A 882 14.631 -37.562 12.025 1.00 25.43 H new ATOM 0 HB3 PHE A 882 15.335 -35.957 12.053 1.00 25.43 H new ATOM 0 HD1 PHE A 882 17.827 -35.927 10.984 1.00 13.42 H new ATOM 0 HD2 PHE A 882 14.779 -38.696 10.031 1.00 51.42 H new ATOM 0 HE1 PHE A 882 18.914 -36.364 8.776 1.00 33.11 H new ATOM 0 HE2 PHE A 882 15.866 -39.132 7.823 1.00 70.12 H new ATOM 0 HZ PHE A 882 17.921 -37.962 7.222 1.00 43.41 H new ATOM 1486 N GLU A 883 16.554 -35.211 14.155 1.00 31.23 N ATOM 1487 CA GLU A 883 16.345 -34.192 15.170 1.00 54.05 C ATOM 1488 C GLU A 883 15.538 -33.027 14.593 1.00 43.34 C ATOM 1489 O GLU A 883 16.015 -32.313 13.712 1.00 63.14 O ATOM 1490 CB GLU A 883 17.678 -33.706 15.742 1.00 53.02 C ATOM 1491 CG GLU A 883 18.740 -33.603 14.646 1.00 61.14 C ATOM 1492 CD GLU A 883 20.024 -32.969 15.184 1.00 0.32 C ATOM 1493 OE1 GLU A 883 20.970 -33.688 15.538 1.00 60.34 O ATOM 1494 OE2 GLU A 883 20.018 -31.679 15.228 1.00 64.50 O ATOM 0 H GLU A 883 17.033 -34.885 13.315 1.00 31.23 H new ATOM 0 HA GLU A 883 15.776 -34.633 15.988 1.00 54.05 H new ATOM 0 HB2 GLU A 883 17.542 -32.733 16.214 1.00 53.02 H new ATOM 0 HB3 GLU A 883 18.017 -34.392 16.518 1.00 53.02 H new ATOM 0 HG2 GLU A 883 18.958 -34.595 14.252 1.00 61.14 H new ATOM 0 HG3 GLU A 883 18.356 -33.008 13.817 1.00 61.14 H new ATOM 1502 N ILE A 884 14.330 -32.870 15.113 1.00 71.01 N ATOM 1503 CA ILE A 884 13.453 -31.804 14.660 1.00 12.54 C ATOM 1504 C ILE A 884 12.438 -31.483 15.760 1.00 43.52 C ATOM 1505 O ILE A 884 12.214 -32.292 16.658 1.00 4.04 O ATOM 1506 CB ILE A 884 12.812 -32.169 13.320 1.00 20.20 C ATOM 1507 CG1 ILE A 884 12.582 -33.678 13.216 1.00 72.21 C ATOM 1508 CG2 ILE A 884 13.642 -31.634 12.151 1.00 0.05 C ATOM 1509 CD1 ILE A 884 11.804 -34.199 14.426 1.00 11.01 C ATOM 0 H ILE A 884 13.938 -33.463 15.844 1.00 71.01 H new ATOM 0 HA ILE A 884 14.024 -30.894 14.476 1.00 12.54 H new ATOM 0 HB ILE A 884 11.835 -31.689 13.267 1.00 20.20 H new ATOM 0 HG12 ILE A 884 12.033 -33.904 12.302 1.00 72.21 H new ATOM 0 HG13 ILE A 884 13.541 -34.192 13.147 1.00 72.21 H new ATOM 0 HG21 ILE A 884 13.164 -31.907 11.210 1.00 0.05 H new ATOM 0 HG22 ILE A 884 13.711 -30.548 12.221 1.00 0.05 H new ATOM 0 HG23 ILE A 884 14.643 -32.065 12.188 1.00 0.05 H new ATOM 0 HD11 ILE A 884 11.654 -35.274 14.327 1.00 11.01 H new ATOM 0 HD12 ILE A 884 12.367 -33.994 15.336 1.00 11.01 H new ATOM 0 HD13 ILE A 884 10.836 -33.701 14.478 1.00 11.01 H new ATOM 1521 N PRO A 885 11.836 -30.268 15.649 1.00 22.15 N ATOM 1522 CA PRO A 885 10.851 -29.830 16.623 1.00 32.03 C ATOM 1523 C PRO A 885 9.517 -30.549 16.415 1.00 75.12 C ATOM 1524 O PRO A 885 9.289 -31.152 15.367 1.00 40.42 O ATOM 1525 CB PRO A 885 10.751 -28.325 16.432 1.00 31.43 C ATOM 1526 CG PRO A 885 11.332 -28.040 15.057 1.00 73.32 C ATOM 1527 CD PRO A 885 12.077 -29.283 14.599 1.00 74.44 C ATOM 0 HA PRO A 885 11.137 -30.070 17.647 1.00 32.03 H new ATOM 0 HB2 PRO A 885 9.715 -27.991 16.495 1.00 31.43 H new ATOM 0 HB3 PRO A 885 11.304 -27.795 17.207 1.00 31.43 H new ATOM 0 HG2 PRO A 885 10.539 -27.789 14.352 1.00 73.32 H new ATOM 0 HG3 PRO A 885 12.006 -27.184 15.097 1.00 73.32 H new ATOM 0 HD2 PRO A 885 11.708 -29.633 13.635 1.00 74.44 H new ATOM 0 HD3 PRO A 885 13.142 -29.085 14.479 1.00 74.44 H new ATOM 1535 N VAL A 886 8.669 -30.462 17.429 1.00 20.14 N ATOM 1536 CA VAL A 886 7.363 -31.097 17.370 1.00 3.25 C ATOM 1537 C VAL A 886 6.301 -30.115 17.869 1.00 31.24 C ATOM 1538 O VAL A 886 6.492 -29.453 18.888 1.00 32.45 O ATOM 1539 CB VAL A 886 7.383 -32.408 18.159 1.00 72.14 C ATOM 1540 CG1 VAL A 886 6.108 -33.217 17.909 1.00 2.31 C ATOM 1541 CG2 VAL A 886 8.629 -33.231 17.823 1.00 15.34 C ATOM 0 H VAL A 886 8.861 -29.961 18.297 1.00 20.14 H new ATOM 0 HA VAL A 886 7.109 -31.356 16.342 1.00 3.25 H new ATOM 0 HB VAL A 886 7.421 -32.161 19.220 1.00 72.14 H new ATOM 0 HG11 VAL A 886 6.147 -34.144 18.481 1.00 2.31 H new ATOM 0 HG12 VAL A 886 5.241 -32.635 18.220 1.00 2.31 H new ATOM 0 HG13 VAL A 886 6.027 -33.449 16.847 1.00 2.31 H new ATOM 0 HG21 VAL A 886 8.619 -34.158 18.397 1.00 15.34 H new ATOM 0 HG22 VAL A 886 8.635 -33.464 16.758 1.00 15.34 H new ATOM 0 HG23 VAL A 886 9.522 -32.658 18.074 1.00 15.34 H new ATOM 1551 N ILE A 887 5.205 -30.052 17.128 1.00 73.10 N ATOM 1552 CA ILE A 887 4.112 -29.163 17.482 1.00 12.53 C ATOM 1553 C ILE A 887 2.823 -29.975 17.620 1.00 73.10 C ATOM 1554 O ILE A 887 2.828 -31.191 17.433 1.00 1.21 O ATOM 1555 CB ILE A 887 4.010 -28.013 16.478 1.00 53.20 C ATOM 1556 CG1 ILE A 887 5.387 -27.649 15.919 1.00 32.20 C ATOM 1557 CG2 ILE A 887 3.305 -26.804 17.098 1.00 64.21 C ATOM 1558 CD1 ILE A 887 6.294 -27.089 17.017 1.00 72.53 C ATOM 0 H ILE A 887 5.050 -30.603 16.283 1.00 73.10 H new ATOM 0 HA ILE A 887 4.299 -28.696 18.449 1.00 12.53 H new ATOM 0 HB ILE A 887 3.400 -28.346 15.639 1.00 53.20 H new ATOM 0 HG12 ILE A 887 5.849 -28.532 15.476 1.00 32.20 H new ATOM 0 HG13 ILE A 887 5.277 -26.913 15.123 1.00 32.20 H new ATOM 0 HG21 ILE A 887 3.246 -26.001 16.363 1.00 64.21 H new ATOM 0 HG22 ILE A 887 2.299 -27.088 17.407 1.00 64.21 H new ATOM 0 HG23 ILE A 887 3.867 -26.461 17.966 1.00 64.21 H new ATOM 0 HD11 ILE A 887 7.266 -26.838 16.593 1.00 72.53 H new ATOM 0 HD12 ILE A 887 5.841 -26.193 17.441 1.00 72.53 H new ATOM 0 HD13 ILE A 887 6.421 -27.836 17.800 1.00 72.53 H new ATOM 1570 N LYS A 888 1.749 -29.271 17.946 1.00 51.43 N ATOM 1571 CA LYS A 888 0.455 -29.911 18.111 1.00 62.35 C ATOM 1572 C LYS A 888 -0.459 -29.510 16.951 1.00 31.22 C ATOM 1573 O LYS A 888 -0.009 -28.899 15.984 1.00 42.33 O ATOM 1574 CB LYS A 888 -0.127 -29.596 19.490 1.00 23.41 C ATOM 1575 CG LYS A 888 0.964 -29.617 20.563 1.00 32.50 C ATOM 1576 CD LYS A 888 1.561 -28.223 20.765 1.00 20.43 C ATOM 1577 CE LYS A 888 2.167 -28.084 22.163 1.00 21.22 C ATOM 1578 NZ LYS A 888 2.205 -26.662 22.572 1.00 23.33 N ATOM 0 H LYS A 888 1.749 -28.263 18.100 1.00 51.43 H new ATOM 0 HA LYS A 888 0.559 -30.995 18.075 1.00 62.35 H new ATOM 0 HB2 LYS A 888 -0.605 -28.617 19.472 1.00 23.41 H new ATOM 0 HB3 LYS A 888 -0.900 -30.324 19.738 1.00 23.41 H new ATOM 0 HG2 LYS A 888 0.547 -29.978 21.503 1.00 32.50 H new ATOM 0 HG3 LYS A 888 1.750 -30.315 20.274 1.00 32.50 H new ATOM 0 HD2 LYS A 888 2.328 -28.039 20.012 1.00 20.43 H new ATOM 0 HD3 LYS A 888 0.788 -27.468 20.623 1.00 20.43 H new ATOM 0 HE2 LYS A 888 1.580 -28.659 22.879 1.00 21.22 H new ATOM 0 HE3 LYS A 888 3.175 -28.498 22.172 1.00 21.22 H new ATOM 0 HZ1 LYS A 888 2.289 -26.601 23.607 1.00 23.33 H new ATOM 0 HZ2 LYS A 888 3.022 -26.195 22.130 1.00 23.33 H new ATOM 0 HZ3 LYS A 888 1.330 -26.190 22.267 1.00 23.33 H new ATOM 1591 N ILE A 889 -1.727 -29.871 17.087 1.00 3.12 N ATOM 1592 CA ILE A 889 -2.708 -29.556 16.063 1.00 34.31 C ATOM 1593 C ILE A 889 -3.453 -28.278 16.452 1.00 13.14 C ATOM 1594 O ILE A 889 -3.889 -27.521 15.586 1.00 2.23 O ATOM 1595 CB ILE A 889 -3.629 -30.754 15.817 1.00 4.31 C ATOM 1596 CG1 ILE A 889 -4.139 -30.766 14.375 1.00 44.04 C ATOM 1597 CG2 ILE A 889 -4.774 -30.782 16.831 1.00 55.24 C ATOM 1598 CD1 ILE A 889 -5.421 -29.943 14.240 1.00 75.23 C ATOM 0 H ILE A 889 -2.097 -30.378 17.891 1.00 3.12 H new ATOM 0 HA ILE A 889 -2.215 -29.361 15.111 1.00 34.31 H new ATOM 0 HB ILE A 889 -3.050 -31.666 15.961 1.00 4.31 H new ATOM 0 HG12 ILE A 889 -3.373 -30.364 13.711 1.00 44.04 H new ATOM 0 HG13 ILE A 889 -4.327 -31.793 14.060 1.00 44.04 H new ATOM 0 HG21 ILE A 889 -5.413 -31.643 16.634 1.00 55.24 H new ATOM 0 HG22 ILE A 889 -4.366 -30.856 17.839 1.00 55.24 H new ATOM 0 HG23 ILE A 889 -5.360 -29.867 16.743 1.00 55.24 H new ATOM 0 HD11 ILE A 889 -5.762 -29.968 13.205 1.00 75.23 H new ATOM 0 HD12 ILE A 889 -6.192 -30.362 14.887 1.00 75.23 H new ATOM 0 HD13 ILE A 889 -5.224 -28.912 14.532 1.00 75.23 H new ATOM 1610 N GLU A 890 -3.577 -28.077 17.756 1.00 0.11 N ATOM 1611 CA GLU A 890 -4.262 -26.903 18.271 1.00 62.22 C ATOM 1612 C GLU A 890 -3.259 -25.780 18.542 1.00 21.14 C ATOM 1613 O GLU A 890 -3.620 -24.740 19.090 1.00 12.40 O ATOM 1614 CB GLU A 890 -5.060 -27.243 19.531 1.00 4.43 C ATOM 1615 CG GLU A 890 -4.157 -27.247 20.767 1.00 70.22 C ATOM 1616 CD GLU A 890 -4.840 -27.950 21.942 1.00 63.11 C ATOM 1617 OE1 GLU A 890 -6.063 -27.832 22.109 1.00 23.12 O ATOM 1618 OE2 GLU A 890 -4.053 -28.640 22.696 1.00 21.12 O ATOM 0 H GLU A 890 -3.215 -28.707 18.471 1.00 0.11 H new ATOM 0 HA GLU A 890 -4.969 -26.558 17.516 1.00 62.22 H new ATOM 0 HB2 GLU A 890 -5.862 -26.517 19.665 1.00 4.43 H new ATOM 0 HB3 GLU A 890 -5.530 -28.220 19.416 1.00 4.43 H new ATOM 0 HG2 GLU A 890 -3.218 -27.749 20.534 1.00 70.22 H new ATOM 0 HG3 GLU A 890 -3.910 -26.222 21.045 1.00 70.22 H new ATOM 1626 N SER A 891 -2.019 -26.029 18.147 1.00 11.30 N ATOM 1627 CA SER A 891 -0.962 -25.051 18.341 1.00 25.30 C ATOM 1628 C SER A 891 -1.148 -23.880 17.375 1.00 13.51 C ATOM 1629 O SER A 891 -0.883 -22.731 17.728 1.00 75.31 O ATOM 1630 CB SER A 891 0.417 -25.685 18.146 1.00 60.52 C ATOM 1631 OG SER A 891 1.467 -24.730 18.269 1.00 13.44 O ATOM 0 H SER A 891 -1.723 -26.893 17.694 1.00 11.30 H new ATOM 0 HA SER A 891 -1.022 -24.682 19.365 1.00 25.30 H new ATOM 0 HB2 SER A 891 0.559 -26.477 18.882 1.00 60.52 H new ATOM 0 HB3 SER A 891 0.465 -26.152 17.162 1.00 60.52 H new ATOM 0 HG SER A 891 2.145 -25.068 18.890 1.00 13.44 H new ATOM 1637 N PHE A 892 -1.603 -24.210 16.175 1.00 12.14 N ATOM 1638 CA PHE A 892 -1.829 -23.199 15.156 1.00 25.30 C ATOM 1639 C PHE A 892 -3.086 -23.512 14.342 1.00 63.30 C ATOM 1640 O PHE A 892 -3.643 -24.604 14.449 1.00 43.24 O ATOM 1641 CB PHE A 892 -0.614 -23.224 14.226 1.00 40.50 C ATOM 1642 CG PHE A 892 -0.015 -24.616 14.021 1.00 21.40 C ATOM 1643 CD1 PHE A 892 -0.749 -25.591 13.421 1.00 54.02 C ATOM 1644 CD2 PHE A 892 1.252 -24.880 14.439 1.00 2.11 C ATOM 1645 CE1 PHE A 892 -0.193 -26.884 13.230 1.00 14.34 C ATOM 1646 CE2 PHE A 892 1.808 -26.173 14.249 1.00 42.42 C ATOM 1647 CZ PHE A 892 1.074 -27.147 13.649 1.00 73.25 C ATOM 0 H PHE A 892 -1.821 -25.163 15.886 1.00 12.14 H new ATOM 0 HA PHE A 892 -1.965 -22.223 15.623 1.00 25.30 H new ATOM 0 HB2 PHE A 892 -0.903 -22.818 13.257 1.00 40.50 H new ATOM 0 HB3 PHE A 892 0.154 -22.565 14.631 1.00 40.50 H new ATOM 0 HD1 PHE A 892 -1.755 -25.382 13.089 1.00 54.02 H new ATOM 0 HD2 PHE A 892 1.835 -24.106 14.916 1.00 2.11 H new ATOM 0 HE1 PHE A 892 -0.776 -27.658 12.752 1.00 14.34 H new ATOM 0 HE2 PHE A 892 2.814 -26.382 14.581 1.00 42.42 H new ATOM 0 HZ PHE A 892 1.497 -28.130 13.505 1.00 73.25 H new ATOM 1657 N VAL A 893 -3.496 -22.535 13.547 1.00 63.01 N ATOM 1658 CA VAL A 893 -4.677 -22.693 12.715 1.00 3.52 C ATOM 1659 C VAL A 893 -4.253 -23.139 11.315 1.00 61.05 C ATOM 1660 O VAL A 893 -3.080 -23.040 10.956 1.00 75.31 O ATOM 1661 CB VAL A 893 -5.489 -21.396 12.709 1.00 32.11 C ATOM 1662 CG1 VAL A 893 -5.436 -20.710 14.075 1.00 14.44 C ATOM 1663 CG2 VAL A 893 -5.010 -20.454 11.603 1.00 2.10 C ATOM 0 H VAL A 893 -3.032 -21.631 13.461 1.00 63.01 H new ATOM 0 HA VAL A 893 -5.329 -23.468 13.119 1.00 3.52 H new ATOM 0 HB VAL A 893 -6.528 -21.652 12.503 1.00 32.11 H new ATOM 0 HG11 VAL A 893 -6.021 -19.791 14.043 1.00 14.44 H new ATOM 0 HG12 VAL A 893 -5.848 -21.376 14.833 1.00 14.44 H new ATOM 0 HG13 VAL A 893 -4.401 -20.473 14.323 1.00 14.44 H new ATOM 0 HG21 VAL A 893 -5.604 -19.540 11.621 1.00 2.10 H new ATOM 0 HG22 VAL A 893 -3.960 -20.208 11.764 1.00 2.10 H new ATOM 0 HG23 VAL A 893 -5.124 -20.942 10.635 1.00 2.10 H new ATOM 1673 N VAL A 894 -5.230 -23.621 10.561 1.00 52.32 N ATOM 1674 CA VAL A 894 -4.973 -24.083 9.207 1.00 12.33 C ATOM 1675 C VAL A 894 -5.829 -23.278 8.227 1.00 1.31 C ATOM 1676 O VAL A 894 -7.052 -23.410 8.212 1.00 43.50 O ATOM 1677 CB VAL A 894 -5.216 -25.591 9.114 1.00 1.51 C ATOM 1678 CG1 VAL A 894 -6.689 -25.892 8.834 1.00 74.31 C ATOM 1679 CG2 VAL A 894 -4.315 -26.226 8.054 1.00 64.32 C ATOM 0 H VAL A 894 -6.201 -23.702 10.862 1.00 52.32 H new ATOM 0 HA VAL A 894 -3.930 -23.918 8.939 1.00 12.33 H new ATOM 0 HB VAL A 894 -4.962 -26.032 10.078 1.00 1.51 H new ATOM 0 HG11 VAL A 894 -6.835 -26.970 8.773 1.00 74.31 H new ATOM 0 HG12 VAL A 894 -7.302 -25.488 9.640 1.00 74.31 H new ATOM 0 HG13 VAL A 894 -6.981 -25.432 7.890 1.00 74.31 H new ATOM 0 HG21 VAL A 894 -4.507 -27.298 8.008 1.00 64.32 H new ATOM 0 HG22 VAL A 894 -4.524 -25.778 7.083 1.00 64.32 H new ATOM 0 HG23 VAL A 894 -3.270 -26.056 8.315 1.00 64.32 H new ATOM 1689 N GLU A 895 -5.152 -22.462 7.433 1.00 51.35 N ATOM 1690 CA GLU A 895 -5.835 -21.635 6.452 1.00 70.44 C ATOM 1691 C GLU A 895 -5.516 -22.119 5.036 1.00 62.14 C ATOM 1692 O GLU A 895 -4.356 -22.132 4.627 1.00 23.52 O ATOM 1693 CB GLU A 895 -5.465 -20.161 6.624 1.00 41.13 C ATOM 1694 CG GLU A 895 -6.352 -19.268 5.754 1.00 44.23 C ATOM 1695 CD GLU A 895 -5.842 -17.825 5.751 1.00 21.10 C ATOM 1696 OE1 GLU A 895 -4.665 -17.584 5.443 1.00 53.12 O ATOM 1697 OE2 GLU A 895 -6.717 -16.937 6.083 1.00 23.23 O ATOM 0 H GLU A 895 -4.138 -22.356 7.449 1.00 51.35 H new ATOM 0 HA GLU A 895 -6.909 -21.727 6.613 1.00 70.44 H new ATOM 0 HB2 GLU A 895 -5.571 -19.876 7.671 1.00 41.13 H new ATOM 0 HB3 GLU A 895 -4.419 -20.011 6.357 1.00 41.13 H new ATOM 0 HG2 GLU A 895 -6.372 -19.652 4.734 1.00 44.23 H new ATOM 0 HG3 GLU A 895 -7.376 -19.295 6.125 1.00 44.23 H new ATOM 1705 N ASP A 896 -6.566 -22.505 4.326 1.00 41.45 N ATOM 1706 CA ASP A 896 -6.412 -22.988 2.964 1.00 40.11 C ATOM 1707 C ASP A 896 -6.167 -21.800 2.031 1.00 70.54 C ATOM 1708 O ASP A 896 -6.765 -20.739 2.200 1.00 34.31 O ATOM 1709 CB ASP A 896 -7.675 -23.709 2.489 1.00 21.45 C ATOM 1710 CG ASP A 896 -7.622 -25.235 2.585 1.00 34.52 C ATOM 1711 OD1 ASP A 896 -6.939 -25.902 1.794 1.00 52.15 O ATOM 1712 OD2 ASP A 896 -8.331 -25.747 3.534 1.00 11.10 O ATOM 0 H ASP A 896 -7.527 -22.493 4.668 1.00 41.45 H new ATOM 0 HA ASP A 896 -5.572 -23.682 2.945 1.00 40.11 H new ATOM 0 HB2 ASP A 896 -8.522 -23.352 3.076 1.00 21.45 H new ATOM 0 HB3 ASP A 896 -7.866 -23.431 1.452 1.00 21.45 H new ATOM 1718 N ILE A 897 -5.286 -22.019 1.065 1.00 31.44 N ATOM 1719 CA ILE A 897 -4.955 -20.981 0.105 1.00 4.40 C ATOM 1720 C ILE A 897 -5.912 -21.068 -1.085 1.00 61.23 C ATOM 1721 O ILE A 897 -5.894 -20.209 -1.965 1.00 61.25 O ATOM 1722 CB ILE A 897 -3.478 -21.064 -0.286 1.00 42.01 C ATOM 1723 CG1 ILE A 897 -2.638 -21.631 0.861 1.00 51.25 C ATOM 1724 CG2 ILE A 897 -2.958 -19.705 -0.759 1.00 54.15 C ATOM 1725 CD1 ILE A 897 -2.218 -23.073 0.571 1.00 23.23 C ATOM 0 H ILE A 897 -4.792 -22.901 0.927 1.00 31.44 H new ATOM 0 HA ILE A 897 -5.088 -19.995 0.550 1.00 4.40 H new ATOM 0 HB ILE A 897 -3.386 -21.754 -1.125 1.00 42.01 H new ATOM 0 HG12 ILE A 897 -1.752 -21.013 1.008 1.00 51.25 H new ATOM 0 HG13 ILE A 897 -3.210 -21.594 1.788 1.00 51.25 H new ATOM 0 HG21 ILE A 897 -1.906 -19.792 -1.031 1.00 54.15 H new ATOM 0 HG22 ILE A 897 -3.531 -19.378 -1.627 1.00 54.15 H new ATOM 0 HG23 ILE A 897 -3.066 -18.975 0.043 1.00 54.15 H new ATOM 0 HD11 ILE A 897 -1.622 -23.452 1.401 1.00 23.23 H new ATOM 0 HD12 ILE A 897 -3.106 -23.693 0.448 1.00 23.23 H new ATOM 0 HD13 ILE A 897 -1.626 -23.103 -0.344 1.00 23.23 H new ATOM 1737 N ALA A 898 -6.725 -22.114 -1.074 1.00 33.12 N ATOM 1738 CA ALA A 898 -7.688 -22.325 -2.141 1.00 70.15 C ATOM 1739 C ALA A 898 -9.060 -21.817 -1.693 1.00 42.12 C ATOM 1740 O ALA A 898 -9.895 -21.460 -2.523 1.00 31.43 O ATOM 1741 CB ALA A 898 -7.711 -23.807 -2.523 1.00 12.33 C ATOM 0 H ALA A 898 -6.737 -22.825 -0.343 1.00 33.12 H new ATOM 0 HA ALA A 898 -7.403 -21.763 -3.031 1.00 70.15 H new ATOM 0 HB1 ALA A 898 -8.434 -23.965 -3.324 1.00 12.33 H new ATOM 0 HB2 ALA A 898 -6.721 -24.111 -2.863 1.00 12.33 H new ATOM 0 HB3 ALA A 898 -7.995 -24.402 -1.655 1.00 12.33 H new ATOM 1747 N THR A 899 -9.249 -21.800 -0.382 1.00 55.11 N ATOM 1748 CA THR A 899 -10.506 -21.341 0.186 1.00 24.35 C ATOM 1749 C THR A 899 -10.288 -20.062 0.997 1.00 34.45 C ATOM 1750 O THR A 899 -11.190 -19.233 1.109 1.00 31.33 O ATOM 1751 CB THR A 899 -11.100 -22.488 1.007 1.00 4.22 C ATOM 1752 OG1 THR A 899 -10.315 -22.506 2.197 1.00 52.13 O ATOM 1753 CG2 THR A 899 -10.845 -23.856 0.372 1.00 64.21 C ATOM 0 H THR A 899 -8.554 -22.096 0.303 1.00 55.11 H new ATOM 0 HA THR A 899 -11.220 -21.076 -0.594 1.00 24.35 H new ATOM 0 HB THR A 899 -12.173 -22.335 1.120 1.00 4.22 H new ATOM 0 HG1 THR A 899 -10.325 -23.407 2.582 1.00 52.13 H new ATOM 0 HG21 THR A 899 -11.287 -24.634 0.994 1.00 64.21 H new ATOM 0 HG22 THR A 899 -11.295 -23.886 -0.620 1.00 64.21 H new ATOM 0 HG23 THR A 899 -9.771 -24.024 0.289 1.00 64.21 H new ATOM 1761 N GLY A 900 -9.087 -19.942 1.543 1.00 62.44 N ATOM 1762 CA GLY A 900 -8.740 -18.778 2.340 1.00 24.40 C ATOM 1763 C GLY A 900 -9.516 -18.765 3.658 1.00 34.21 C ATOM 1764 O GLY A 900 -9.767 -17.702 4.225 1.00 65.52 O ATOM 0 H GLY A 900 -8.342 -20.632 1.449 1.00 62.44 H new ATOM 0 HA2 GLY A 900 -7.669 -18.779 2.544 1.00 24.40 H new ATOM 0 HA3 GLY A 900 -8.957 -17.870 1.777 1.00 24.40 H new ATOM 1768 N VAL A 901 -9.877 -19.958 4.108 1.00 65.32 N ATOM 1769 CA VAL A 901 -10.620 -20.097 5.349 1.00 62.44 C ATOM 1770 C VAL A 901 -9.730 -20.766 6.399 1.00 53.13 C ATOM 1771 O VAL A 901 -9.179 -21.839 6.158 1.00 33.05 O ATOM 1772 CB VAL A 901 -11.922 -20.859 5.096 1.00 73.53 C ATOM 1773 CG1 VAL A 901 -11.647 -22.209 4.430 1.00 73.13 C ATOM 1774 CG2 VAL A 901 -12.713 -21.039 6.393 1.00 30.11 C ATOM 0 H VAL A 901 -9.669 -20.837 3.635 1.00 65.32 H new ATOM 0 HA VAL A 901 -10.902 -19.118 5.738 1.00 62.44 H new ATOM 0 HB VAL A 901 -12.530 -20.266 4.413 1.00 73.53 H new ATOM 0 HG11 VAL A 901 -12.589 -22.730 4.261 1.00 73.13 H new ATOM 0 HG12 VAL A 901 -11.145 -22.048 3.476 1.00 73.13 H new ATOM 0 HG13 VAL A 901 -11.010 -22.811 5.078 1.00 73.13 H new ATOM 0 HG21 VAL A 901 -13.634 -21.584 6.185 1.00 30.11 H new ATOM 0 HG22 VAL A 901 -12.114 -21.600 7.110 1.00 30.11 H new ATOM 0 HG23 VAL A 901 -12.956 -20.062 6.810 1.00 30.11 H new ATOM 1784 N GLN A 902 -9.618 -20.104 7.541 1.00 42.43 N ATOM 1785 CA GLN A 902 -8.805 -20.620 8.628 1.00 25.24 C ATOM 1786 C GLN A 902 -9.680 -21.368 9.637 1.00 45.14 C ATOM 1787 O GLN A 902 -10.851 -21.036 9.814 1.00 45.20 O ATOM 1788 CB GLN A 902 -8.022 -19.496 9.310 1.00 43.05 C ATOM 1789 CG GLN A 902 -8.964 -18.533 10.035 1.00 21.42 C ATOM 1790 CD GLN A 902 -8.201 -17.321 10.574 1.00 71.33 C ATOM 1791 OE1 GLN A 902 -8.587 -16.179 10.387 1.00 71.15 O ATOM 1792 NE2 GLN A 902 -7.100 -17.632 11.251 1.00 23.52 N ATOM 0 H GLN A 902 -10.077 -19.214 7.737 1.00 42.43 H new ATOM 0 HA GLN A 902 -8.082 -21.322 8.212 1.00 25.24 H new ATOM 0 HB2 GLN A 902 -7.313 -19.921 10.021 1.00 43.05 H new ATOM 0 HB3 GLN A 902 -7.440 -18.951 8.567 1.00 43.05 H new ATOM 0 HG2 GLN A 902 -9.746 -18.201 9.352 1.00 21.42 H new ATOM 0 HG3 GLN A 902 -9.458 -19.051 10.857 1.00 21.42 H new ATOM 0 HE21 GLN A 902 -6.834 -18.609 11.371 1.00 23.52 H new ATOM 0 HE22 GLN A 902 -6.521 -16.893 11.651 1.00 23.52 H new ATOM 1801 N THR A 903 -9.078 -22.363 10.271 1.00 65.34 N ATOM 1802 CA THR A 903 -9.787 -23.161 11.256 1.00 13.24 C ATOM 1803 C THR A 903 -8.805 -23.758 12.266 1.00 15.13 C ATOM 1804 O THR A 903 -7.703 -24.162 11.901 1.00 22.40 O ATOM 1805 CB THR A 903 -10.607 -24.215 10.510 1.00 54.10 C ATOM 1806 OG1 THR A 903 -11.084 -23.530 9.355 1.00 52.01 O ATOM 1807 CG2 THR A 903 -11.881 -24.607 11.263 1.00 64.15 C ATOM 0 H THR A 903 -8.106 -22.635 10.122 1.00 65.34 H new ATOM 0 HA THR A 903 -10.474 -22.549 11.841 1.00 13.24 H new ATOM 0 HB THR A 903 -9.995 -25.102 10.346 1.00 54.10 H new ATOM 0 HG1 THR A 903 -11.625 -24.141 8.813 1.00 52.01 H new ATOM 0 HG21 THR A 903 -12.426 -25.357 10.690 1.00 64.15 H new ATOM 0 HG22 THR A 903 -11.616 -25.016 12.238 1.00 64.15 H new ATOM 0 HG23 THR A 903 -12.509 -23.727 11.398 1.00 64.15 H new ATOM 1815 N LEU A 904 -9.242 -23.794 13.517 1.00 64.21 N ATOM 1816 CA LEU A 904 -8.415 -24.335 14.582 1.00 22.14 C ATOM 1817 C LEU A 904 -9.149 -25.500 15.250 1.00 3.32 C ATOM 1818 O LEU A 904 -10.311 -25.369 15.630 1.00 32.34 O ATOM 1819 CB LEU A 904 -8.003 -23.229 15.556 1.00 53.55 C ATOM 1820 CG LEU A 904 -8.962 -22.041 15.665 1.00 32.25 C ATOM 1821 CD1 LEU A 904 -10.168 -22.390 16.539 1.00 15.15 C ATOM 1822 CD2 LEU A 904 -8.233 -20.793 16.166 1.00 15.50 C ATOM 0 H LEU A 904 -10.157 -23.458 13.816 1.00 64.21 H new ATOM 0 HA LEU A 904 -7.485 -24.733 14.176 1.00 22.14 H new ATOM 0 HB2 LEU A 904 -7.887 -23.669 16.546 1.00 53.55 H new ATOM 0 HB3 LEU A 904 -7.024 -22.854 15.257 1.00 53.55 H new ATOM 0 HG LEU A 904 -9.341 -21.814 14.668 1.00 32.25 H new ATOM 0 HD11 LEU A 904 -10.834 -21.529 16.600 1.00 15.15 H new ATOM 0 HD12 LEU A 904 -10.703 -23.232 16.101 1.00 15.15 H new ATOM 0 HD13 LEU A 904 -9.827 -22.657 17.539 1.00 15.15 H new ATOM 0 HD21 LEU A 904 -8.937 -19.963 16.234 1.00 15.50 H new ATOM 0 HD22 LEU A 904 -7.808 -20.990 17.150 1.00 15.50 H new ATOM 0 HD23 LEU A 904 -7.434 -20.535 15.471 1.00 15.50 H new ATOM 1834 N TYR A 905 -8.440 -26.612 15.372 1.00 25.14 N ATOM 1835 CA TYR A 905 -9.009 -27.799 15.988 1.00 40.13 C ATOM 1836 C TYR A 905 -8.458 -28.002 17.400 1.00 21.35 C ATOM 1837 O TYR A 905 -7.773 -27.131 17.935 1.00 71.32 O ATOM 1838 CB TYR A 905 -8.578 -28.976 15.111 1.00 73.42 C ATOM 1839 CG TYR A 905 -8.678 -28.703 13.609 1.00 52.12 C ATOM 1840 CD1 TYR A 905 -9.848 -28.985 12.932 1.00 5.13 C ATOM 1841 CD2 TYR A 905 -7.599 -28.174 12.930 1.00 22.04 C ATOM 1842 CE1 TYR A 905 -9.941 -28.727 11.519 1.00 75.54 C ATOM 1843 CE2 TYR A 905 -7.693 -27.917 11.517 1.00 42.43 C ATOM 1844 CZ TYR A 905 -8.859 -28.206 10.881 1.00 75.04 C ATOM 1845 OH TYR A 905 -8.948 -27.963 9.545 1.00 12.14 O ATOM 0 H TYR A 905 -7.476 -26.717 15.055 1.00 25.14 H new ATOM 0 HA TYR A 905 -10.093 -27.709 16.065 1.00 40.13 H new ATOM 0 HB2 TYR A 905 -7.549 -29.239 15.354 1.00 73.42 H new ATOM 0 HB3 TYR A 905 -9.194 -29.842 15.354 1.00 73.42 H new ATOM 0 HD1 TYR A 905 -10.693 -29.399 13.462 1.00 5.13 H new ATOM 0 HD2 TYR A 905 -6.684 -27.953 13.459 1.00 22.04 H new ATOM 0 HE1 TYR A 905 -10.850 -28.942 10.977 1.00 75.54 H new ATOM 0 HE2 TYR A 905 -6.856 -27.504 10.974 1.00 42.43 H new ATOM 0 HH TYR A 905 -9.876 -27.750 9.312 1.00 12.14 H new ATOM 1855 N SER A 906 -8.777 -29.157 17.965 1.00 33.52 N ATOM 1856 CA SER A 906 -8.323 -29.486 19.306 1.00 63.34 C ATOM 1857 C SER A 906 -7.633 -30.852 19.304 1.00 73.10 C ATOM 1858 O SER A 906 -6.502 -30.981 19.769 1.00 21.01 O ATOM 1859 CB SER A 906 -9.486 -29.480 20.299 1.00 75.33 C ATOM 1860 OG SER A 906 -9.140 -30.106 21.531 1.00 21.40 O ATOM 0 H SER A 906 -9.345 -29.877 17.519 1.00 33.52 H new ATOM 0 HA SER A 906 -7.609 -28.725 19.621 1.00 63.34 H new ATOM 0 HB2 SER A 906 -9.795 -28.452 20.489 1.00 75.33 H new ATOM 0 HB3 SER A 906 -10.341 -29.994 19.859 1.00 75.33 H new ATOM 0 HG SER A 906 -9.909 -30.080 22.138 1.00 21.40 H new ATOM 1866 N LYS A 907 -8.344 -31.837 18.776 1.00 71.54 N ATOM 1867 CA LYS A 907 -7.815 -33.189 18.707 1.00 1.02 C ATOM 1868 C LYS A 907 -7.102 -33.386 17.368 1.00 40.21 C ATOM 1869 O LYS A 907 -7.346 -32.646 16.416 1.00 0.31 O ATOM 1870 CB LYS A 907 -8.922 -34.212 18.971 1.00 42.22 C ATOM 1871 CG LYS A 907 -8.341 -35.522 19.506 1.00 32.33 C ATOM 1872 CD LYS A 907 -7.569 -35.289 20.807 1.00 73.14 C ATOM 1873 CE LYS A 907 -8.307 -34.301 21.712 1.00 21.25 C ATOM 1874 NZ LYS A 907 -9.656 -34.811 22.045 1.00 51.31 N ATOM 0 H LYS A 907 -9.282 -31.726 18.392 1.00 71.54 H new ATOM 0 HA LYS A 907 -7.073 -33.348 19.490 1.00 1.02 H new ATOM 0 HB2 LYS A 907 -9.634 -33.806 19.689 1.00 42.22 H new ATOM 0 HB3 LYS A 907 -9.473 -34.403 18.050 1.00 42.22 H new ATOM 0 HG2 LYS A 907 -9.145 -36.237 19.679 1.00 32.33 H new ATOM 0 HG3 LYS A 907 -7.679 -35.962 18.760 1.00 32.33 H new ATOM 0 HD2 LYS A 907 -7.435 -36.236 21.329 1.00 73.14 H new ATOM 0 HD3 LYS A 907 -6.574 -34.907 20.580 1.00 73.14 H new ATOM 0 HE2 LYS A 907 -7.736 -34.141 22.627 1.00 21.25 H new ATOM 0 HE3 LYS A 907 -8.390 -33.335 21.214 1.00 21.25 H new ATOM 0 HZ1 LYS A 907 -10.376 -34.202 21.605 1.00 51.31 H new ATOM 0 HZ2 LYS A 907 -9.758 -35.782 21.687 1.00 51.31 H new ATOM 0 HZ3 LYS A 907 -9.783 -34.808 23.077 1.00 51.31 H new ATOM 1887 N TRP A 908 -6.235 -34.387 17.337 1.00 71.22 N ATOM 1888 CA TRP A 908 -5.485 -34.691 16.130 1.00 50.31 C ATOM 1889 C TRP A 908 -6.450 -35.310 15.117 1.00 40.23 C ATOM 1890 O TRP A 908 -6.242 -35.201 13.909 1.00 12.43 O ATOM 1891 CB TRP A 908 -4.287 -35.589 16.441 1.00 64.54 C ATOM 1892 CG TRP A 908 -3.297 -34.985 17.439 1.00 53.33 C ATOM 1893 CD1 TRP A 908 -3.157 -33.698 17.784 1.00 10.44 C ATOM 1894 CD2 TRP A 908 -2.310 -35.700 18.211 1.00 3.40 C ATOM 1895 NE1 TRP A 908 -2.155 -33.531 18.719 1.00 34.22 N ATOM 1896 CE2 TRP A 908 -1.624 -34.787 18.987 1.00 61.51 C ATOM 1897 CE3 TRP A 908 -2.006 -37.072 18.253 1.00 51.22 C ATOM 1898 CZ2 TRP A 908 -0.591 -35.147 19.861 1.00 61.54 C ATOM 1899 CZ3 TRP A 908 -0.971 -37.415 19.131 1.00 72.31 C ATOM 1900 CH2 TRP A 908 -0.271 -36.509 19.919 1.00 70.14 C ATOM 0 H TRP A 908 -6.035 -34.998 18.129 1.00 71.22 H new ATOM 0 HA TRP A 908 -5.063 -33.783 15.699 1.00 50.31 H new ATOM 0 HB2 TRP A 908 -4.650 -36.538 16.835 1.00 64.54 H new ATOM 0 HB3 TRP A 908 -3.761 -35.810 15.512 1.00 64.54 H new ATOM 0 HD1 TRP A 908 -3.753 -32.892 17.381 1.00 10.44 H new ATOM 0 HE1 TRP A 908 -1.859 -32.649 19.136 1.00 34.22 H new ATOM 0 HE3 TRP A 908 -2.530 -37.803 17.655 1.00 51.22 H new ATOM 0 HZ2 TRP A 908 -0.069 -34.414 20.458 1.00 61.54 H new ATOM 0 HZ3 TRP A 908 -0.697 -38.457 19.201 1.00 72.31 H new ATOM 0 HH2 TRP A 908 0.516 -36.854 20.573 1.00 70.14 H new ATOM 1911 N LYS A 909 -7.485 -35.946 15.646 1.00 64.44 N ATOM 1912 CA LYS A 909 -8.482 -36.583 14.803 1.00 72.05 C ATOM 1913 C LYS A 909 -9.290 -35.507 14.075 1.00 54.03 C ATOM 1914 O LYS A 909 -9.981 -35.798 13.099 1.00 13.24 O ATOM 1915 CB LYS A 909 -9.341 -37.547 15.623 1.00 20.24 C ATOM 1916 CG LYS A 909 -10.536 -36.823 16.246 1.00 1.44 C ATOM 1917 CD LYS A 909 -11.329 -37.759 17.161 1.00 42.52 C ATOM 1918 CE LYS A 909 -10.392 -38.580 18.050 1.00 54.35 C ATOM 1919 NZ LYS A 909 -11.101 -39.036 19.266 1.00 23.13 N ATOM 0 H LYS A 909 -7.655 -36.034 16.648 1.00 64.44 H new ATOM 0 HA LYS A 909 -8.001 -37.193 14.039 1.00 72.05 H new ATOM 0 HB2 LYS A 909 -9.694 -38.357 14.985 1.00 20.24 H new ATOM 0 HB3 LYS A 909 -8.736 -38.000 16.408 1.00 20.24 H new ATOM 0 HG2 LYS A 909 -10.187 -35.962 16.816 1.00 1.44 H new ATOM 0 HG3 LYS A 909 -11.186 -36.442 15.458 1.00 1.44 H new ATOM 0 HD2 LYS A 909 -12.008 -37.176 17.783 1.00 42.52 H new ATOM 0 HD3 LYS A 909 -11.943 -38.428 16.558 1.00 42.52 H new ATOM 0 HE2 LYS A 909 -10.017 -39.441 17.496 1.00 54.35 H new ATOM 0 HE3 LYS A 909 -9.527 -37.979 18.330 1.00 54.35 H new ATOM 0 HZ1 LYS A 909 -10.452 -39.592 19.859 1.00 23.13 H new ATOM 0 HZ2 LYS A 909 -11.438 -38.211 19.801 1.00 23.13 H new ATOM 0 HZ3 LYS A 909 -11.912 -39.627 18.994 1.00 23.13 H new ATOM 1932 N ASP A 910 -9.177 -34.286 14.577 1.00 70.12 N ATOM 1933 CA ASP A 910 -9.889 -33.165 13.987 1.00 64.14 C ATOM 1934 C ASP A 910 -9.052 -32.579 12.848 1.00 53.55 C ATOM 1935 O ASP A 910 -9.532 -31.737 12.090 1.00 54.30 O ATOM 1936 CB ASP A 910 -10.126 -32.059 15.017 1.00 62.31 C ATOM 1937 CG ASP A 910 -11.171 -32.385 16.085 1.00 15.45 C ATOM 1938 OD1 ASP A 910 -11.245 -33.518 16.583 1.00 1.11 O ATOM 1939 OD2 ASP A 910 -11.943 -31.403 16.409 1.00 34.14 O ATOM 0 H ASP A 910 -8.603 -34.048 15.386 1.00 70.12 H new ATOM 0 HA ASP A 910 -10.849 -33.529 13.622 1.00 64.14 H new ATOM 0 HB2 ASP A 910 -9.181 -31.835 15.511 1.00 62.31 H new ATOM 0 HB3 ASP A 910 -10.434 -31.154 14.493 1.00 62.31 H new ATOM 1945 N PHE A 911 -7.816 -33.046 12.762 1.00 23.44 N ATOM 1946 CA PHE A 911 -6.908 -32.579 11.729 1.00 51.34 C ATOM 1947 C PHE A 911 -7.439 -32.924 10.336 1.00 63.33 C ATOM 1948 O PHE A 911 -8.235 -33.849 10.183 1.00 53.02 O ATOM 1949 CB PHE A 911 -5.575 -33.297 11.946 1.00 44.41 C ATOM 1950 CG PHE A 911 -5.511 -34.693 11.324 1.00 33.33 C ATOM 1951 CD1 PHE A 911 -6.587 -35.522 11.404 1.00 63.25 C ATOM 1952 CD2 PHE A 911 -4.380 -35.106 10.693 1.00 42.12 C ATOM 1953 CE1 PHE A 911 -6.528 -36.818 10.827 1.00 61.42 C ATOM 1954 CE2 PHE A 911 -4.321 -36.402 10.116 1.00 20.20 C ATOM 1955 CZ PHE A 911 -5.396 -37.231 10.195 1.00 34.12 C ATOM 0 H PHE A 911 -7.421 -33.744 13.392 1.00 23.44 H new ATOM 0 HA PHE A 911 -6.801 -31.496 11.790 1.00 51.34 H new ATOM 0 HB2 PHE A 911 -4.774 -32.687 11.528 1.00 44.41 H new ATOM 0 HB3 PHE A 911 -5.388 -33.379 13.017 1.00 44.41 H new ATOM 0 HD1 PHE A 911 -7.485 -35.194 11.906 1.00 63.25 H new ATOM 0 HD2 PHE A 911 -3.526 -34.448 10.631 1.00 42.12 H new ATOM 0 HE1 PHE A 911 -7.382 -37.476 10.890 1.00 61.42 H new ATOM 0 HE2 PHE A 911 -3.422 -36.729 9.614 1.00 20.20 H new ATOM 0 HZ PHE A 911 -5.351 -38.217 9.756 1.00 34.12 H new ATOM 1965 N HIS A 912 -6.976 -32.163 9.355 1.00 3.13 N ATOM 1966 CA HIS A 912 -7.394 -32.377 7.980 1.00 3.02 C ATOM 1967 C HIS A 912 -6.169 -32.667 7.111 1.00 63.32 C ATOM 1968 O HIS A 912 -6.189 -32.430 5.904 1.00 72.31 O ATOM 1969 CB HIS A 912 -8.215 -31.190 7.471 1.00 25.50 C ATOM 1970 CG HIS A 912 -8.583 -31.281 6.009 1.00 3.33 C ATOM 1971 ND1 HIS A 912 -7.961 -30.524 5.031 1.00 24.34 N ATOM 1972 CD2 HIS A 912 -9.514 -32.046 5.370 1.00 2.33 C ATOM 1973 CE1 HIS A 912 -8.501 -30.828 3.861 1.00 55.24 C ATOM 1974 NE2 HIS A 912 -9.464 -31.770 4.073 1.00 72.42 N ATOM 0 H HIS A 912 -6.315 -31.397 9.485 1.00 3.13 H new ATOM 0 HA HIS A 912 -8.049 -33.247 7.926 1.00 3.02 H new ATOM 0 HB2 HIS A 912 -9.128 -31.113 8.061 1.00 25.50 H new ATOM 0 HB3 HIS A 912 -7.650 -30.273 7.637 1.00 25.50 H new ATOM 0 HD2 HIS A 912 -10.179 -32.756 5.840 1.00 2.33 H new ATOM 0 HE1 HIS A 912 -8.227 -30.404 2.906 1.00 55.24 H new ATOM 0 HE2 HIS A 912 -10.050 -32.193 3.353 1.00 72.42 H new ATOM 1982 N PHE A 913 -5.131 -33.176 7.758 1.00 22.31 N ATOM 1983 CA PHE A 913 -3.899 -33.502 7.059 1.00 11.42 C ATOM 1984 C PHE A 913 -3.818 -35.000 6.759 1.00 11.22 C ATOM 1985 O PHE A 913 -4.800 -35.723 6.921 1.00 1.10 O ATOM 1986 CB PHE A 913 -2.744 -33.116 7.985 1.00 11.14 C ATOM 1987 CG PHE A 913 -2.847 -31.698 8.552 1.00 74.24 C ATOM 1988 CD1 PHE A 913 -2.842 -30.628 7.712 1.00 60.51 C ATOM 1989 CD2 PHE A 913 -2.945 -31.508 9.895 1.00 42.22 C ATOM 1990 CE1 PHE A 913 -2.938 -29.313 8.237 1.00 0.24 C ATOM 1991 CE2 PHE A 913 -3.041 -30.192 10.420 1.00 22.22 C ATOM 1992 CZ PHE A 913 -3.035 -29.122 9.581 1.00 74.45 C ATOM 0 H PHE A 913 -5.118 -33.371 8.759 1.00 22.31 H new ATOM 0 HA PHE A 913 -3.857 -32.966 6.111 1.00 11.42 H new ATOM 0 HB2 PHE A 913 -2.703 -33.825 8.812 1.00 11.14 H new ATOM 0 HB3 PHE A 913 -1.806 -33.210 7.438 1.00 11.14 H new ATOM 0 HD1 PHE A 913 -2.765 -30.779 6.645 1.00 60.51 H new ATOM 0 HD2 PHE A 913 -2.950 -32.357 10.562 1.00 42.22 H new ATOM 0 HE1 PHE A 913 -2.934 -28.464 7.570 1.00 0.24 H new ATOM 0 HE2 PHE A 913 -3.119 -30.041 11.487 1.00 22.22 H new ATOM 0 HZ PHE A 913 -3.107 -28.121 9.981 1.00 74.45 H new ATOM 2002 N GLU A 914 -2.639 -35.421 6.327 1.00 24.33 N ATOM 2003 CA GLU A 914 -2.417 -36.820 6.003 1.00 24.32 C ATOM 2004 C GLU A 914 -1.079 -37.292 6.576 1.00 22.13 C ATOM 2005 O GLU A 914 -0.240 -36.477 6.955 1.00 5.40 O ATOM 2006 CB GLU A 914 -2.477 -37.049 4.492 1.00 62.14 C ATOM 2007 CG GLU A 914 -1.139 -36.709 3.832 1.00 40.41 C ATOM 2008 CD GLU A 914 -1.291 -36.590 2.314 1.00 42.20 C ATOM 2009 OE1 GLU A 914 -1.273 -35.473 1.775 1.00 64.54 O ATOM 2010 OE2 GLU A 914 -1.430 -37.711 1.691 1.00 54.43 O ATOM 0 H GLU A 914 -1.827 -34.818 6.194 1.00 24.33 H new ATOM 0 HA GLU A 914 -3.213 -37.409 6.459 1.00 24.32 H new ATOM 0 HB2 GLU A 914 -2.733 -38.089 4.288 1.00 62.14 H new ATOM 0 HB3 GLU A 914 -3.267 -36.435 4.059 1.00 62.14 H new ATOM 0 HG2 GLU A 914 -0.757 -35.772 4.237 1.00 40.41 H new ATOM 0 HG3 GLU A 914 -0.406 -37.481 4.068 1.00 40.41 H new ATOM 2018 N LYS A 915 -0.922 -38.607 6.622 1.00 3.10 N ATOM 2019 CA LYS A 915 0.300 -39.197 7.143 1.00 51.04 C ATOM 2020 C LYS A 915 1.376 -39.175 6.055 1.00 75.22 C ATOM 2021 O LYS A 915 1.151 -39.655 4.945 1.00 53.02 O ATOM 2022 CB LYS A 915 0.023 -40.592 7.706 1.00 61.31 C ATOM 2023 CG LYS A 915 -0.589 -41.503 6.639 1.00 1.33 C ATOM 2024 CD LYS A 915 -0.171 -42.959 6.856 1.00 53.42 C ATOM 2025 CE LYS A 915 -1.201 -43.704 7.707 1.00 14.30 C ATOM 2026 NZ LYS A 915 -2.338 -44.151 6.871 1.00 22.43 N ATOM 0 H LYS A 915 -1.620 -39.280 6.307 1.00 3.10 H new ATOM 0 HA LYS A 915 0.680 -38.611 7.979 1.00 51.04 H new ATOM 0 HB2 LYS A 915 0.951 -41.030 8.075 1.00 61.31 H new ATOM 0 HB3 LYS A 915 -0.654 -40.517 8.557 1.00 61.31 H new ATOM 0 HG2 LYS A 915 -1.676 -41.425 6.669 1.00 1.33 H new ATOM 0 HG3 LYS A 915 -0.272 -41.174 5.649 1.00 1.33 H new ATOM 0 HD2 LYS A 915 -0.061 -43.457 5.893 1.00 53.42 H new ATOM 0 HD3 LYS A 915 0.803 -42.993 7.345 1.00 53.42 H new ATOM 0 HE2 LYS A 915 -0.733 -44.565 8.185 1.00 14.30 H new ATOM 0 HE3 LYS A 915 -1.562 -43.054 8.504 1.00 14.30 H new ATOM 0 HZ1 LYS A 915 -3.028 -44.655 7.464 1.00 22.43 H new ATOM 0 HZ2 LYS A 915 -2.794 -43.324 6.435 1.00 22.43 H new ATOM 0 HZ3 LYS A 915 -1.991 -44.788 6.126 1.00 22.43 H new ATOM 2039 N ILE A 916 2.521 -38.613 6.411 1.00 22.55 N ATOM 2040 CA ILE A 916 3.632 -38.523 5.480 1.00 44.25 C ATOM 2041 C ILE A 916 4.927 -38.912 6.197 1.00 52.15 C ATOM 2042 O ILE A 916 5.178 -38.468 7.316 1.00 62.03 O ATOM 2043 CB ILE A 916 3.679 -37.136 4.835 1.00 3.00 C ATOM 2044 CG1 ILE A 916 2.302 -36.729 4.308 1.00 34.32 C ATOM 2045 CG2 ILE A 916 4.751 -37.074 3.745 1.00 61.02 C ATOM 2046 CD1 ILE A 916 2.236 -35.223 4.049 1.00 4.23 C ATOM 0 H ILE A 916 2.703 -38.215 7.332 1.00 22.55 H new ATOM 0 HA ILE A 916 3.499 -39.227 4.659 1.00 44.25 H new ATOM 0 HB ILE A 916 3.957 -36.413 5.602 1.00 3.00 H new ATOM 0 HG12 ILE A 916 2.087 -37.270 3.386 1.00 34.32 H new ATOM 0 HG13 ILE A 916 1.535 -37.011 5.029 1.00 34.32 H new ATOM 0 HG21 ILE A 916 4.763 -36.078 3.303 1.00 61.02 H new ATOM 0 HG22 ILE A 916 5.726 -37.289 4.181 1.00 61.02 H new ATOM 0 HG23 ILE A 916 4.528 -37.811 2.973 1.00 61.02 H new ATOM 0 HD11 ILE A 916 1.246 -34.961 3.675 1.00 4.23 H new ATOM 0 HD12 ILE A 916 2.427 -34.685 4.978 1.00 4.23 H new ATOM 0 HD13 ILE A 916 2.988 -34.948 3.309 1.00 4.23 H new ATOM 2058 N PRO A 917 5.735 -39.759 5.504 1.00 11.04 N ATOM 2059 CA PRO A 917 6.997 -40.213 6.063 1.00 0.20 C ATOM 2060 C PRO A 917 8.051 -39.106 6.007 1.00 44.53 C ATOM 2061 O PRO A 917 8.473 -38.699 4.925 1.00 53.01 O ATOM 2062 CB PRO A 917 7.374 -41.435 5.241 1.00 3.43 C ATOM 2063 CG PRO A 917 6.556 -41.346 3.963 1.00 31.33 C ATOM 2064 CD PRO A 917 5.469 -40.305 4.177 1.00 64.03 C ATOM 0 HA PRO A 917 6.922 -40.468 7.120 1.00 0.20 H new ATOM 0 HB2 PRO A 917 8.442 -41.444 5.022 1.00 3.43 H new ATOM 0 HB3 PRO A 917 7.152 -42.354 5.783 1.00 3.43 H new ATOM 0 HG2 PRO A 917 7.191 -41.068 3.122 1.00 31.33 H new ATOM 0 HG3 PRO A 917 6.116 -42.314 3.723 1.00 31.33 H new ATOM 0 HD2 PRO A 917 5.509 -39.528 3.414 1.00 64.03 H new ATOM 0 HD3 PRO A 917 4.476 -40.752 4.125 1.00 64.03 H new ATOM 2072 N PHE A 918 8.448 -38.649 7.186 1.00 74.13 N ATOM 2073 CA PHE A 918 9.445 -37.597 7.284 1.00 12.14 C ATOM 2074 C PHE A 918 10.580 -37.822 6.283 1.00 12.42 C ATOM 2075 O PHE A 918 11.473 -38.633 6.523 1.00 12.44 O ATOM 2076 CB PHE A 918 10.014 -37.652 8.703 1.00 1.14 C ATOM 2077 CG PHE A 918 10.703 -36.360 9.148 1.00 14.12 C ATOM 2078 CD1 PHE A 918 11.957 -36.072 8.710 1.00 65.41 C ATOM 2079 CD2 PHE A 918 10.059 -35.499 9.982 1.00 44.13 C ATOM 2080 CE1 PHE A 918 12.596 -34.873 9.123 1.00 63.33 C ATOM 2081 CE2 PHE A 918 10.698 -34.300 10.394 1.00 3.14 C ATOM 2082 CZ PHE A 918 11.953 -34.012 9.956 1.00 22.32 C ATOM 0 H PHE A 918 8.097 -38.988 8.081 1.00 74.13 H new ATOM 0 HA PHE A 918 8.990 -36.631 7.065 1.00 12.14 H new ATOM 0 HB2 PHE A 918 9.206 -37.879 9.399 1.00 1.14 H new ATOM 0 HB3 PHE A 918 10.729 -38.473 8.765 1.00 1.14 H new ATOM 0 HD1 PHE A 918 12.468 -36.755 8.048 1.00 65.41 H new ATOM 0 HD2 PHE A 918 9.063 -35.728 10.330 1.00 44.13 H new ATOM 0 HE1 PHE A 918 13.593 -34.645 8.775 1.00 63.33 H new ATOM 0 HE2 PHE A 918 10.187 -33.616 11.056 1.00 3.14 H new ATOM 0 HZ PHE A 918 12.439 -33.100 10.270 1.00 22.32 H new ATOM 2092 N ASP A 919 10.508 -37.089 5.182 1.00 41.33 N ATOM 2093 CA ASP A 919 11.518 -37.198 4.143 1.00 4.31 C ATOM 2094 C ASP A 919 12.790 -36.479 4.598 1.00 65.43 C ATOM 2095 O ASP A 919 12.741 -35.320 5.006 1.00 31.31 O ATOM 2096 CB ASP A 919 11.045 -36.544 2.843 1.00 10.05 C ATOM 2097 CG ASP A 919 10.286 -37.471 1.892 1.00 21.32 C ATOM 2098 OD1 ASP A 919 10.130 -37.173 0.699 1.00 65.34 O ATOM 2099 OD2 ASP A 919 9.838 -38.555 2.429 1.00 24.43 O ATOM 0 H ASP A 919 9.766 -36.417 4.987 1.00 41.33 H new ATOM 0 HA ASP A 919 11.706 -38.257 3.966 1.00 4.31 H new ATOM 0 HB2 ASP A 919 10.403 -35.699 3.092 1.00 10.05 H new ATOM 0 HB3 ASP A 919 11.913 -36.142 2.319 1.00 10.05 H new ATOM 2105 N PRO A 920 13.930 -37.217 4.509 1.00 12.31 N ATOM 2106 CA PRO A 920 15.213 -36.662 4.906 1.00 32.44 C ATOM 2107 C PRO A 920 15.730 -35.673 3.860 1.00 24.23 C ATOM 2108 O PRO A 920 16.607 -34.860 4.150 1.00 72.13 O ATOM 2109 CB PRO A 920 16.123 -37.867 5.087 1.00 54.51 C ATOM 2110 CG PRO A 920 15.455 -39.009 4.339 1.00 62.11 C ATOM 2111 CD PRO A 920 14.026 -38.593 4.030 1.00 5.51 C ATOM 0 HA PRO A 920 15.154 -36.082 5.827 1.00 32.44 H new ATOM 0 HB2 PRO A 920 17.118 -37.668 4.689 1.00 54.51 H new ATOM 0 HB3 PRO A 920 16.245 -38.110 6.143 1.00 54.51 H new ATOM 0 HG2 PRO A 920 15.995 -39.230 3.419 1.00 62.11 H new ATOM 0 HG3 PRO A 920 15.466 -39.918 4.941 1.00 62.11 H new ATOM 0 HD2 PRO A 920 13.817 -38.656 2.962 1.00 5.51 H new ATOM 0 HD3 PRO A 920 13.307 -39.239 4.534 1.00 5.51 H new ATOM 2119 N ALA A 921 15.166 -35.775 2.666 1.00 61.11 N ATOM 2120 CA ALA A 921 15.560 -34.899 1.575 1.00 35.41 C ATOM 2121 C ALA A 921 15.196 -33.456 1.929 1.00 4.03 C ATOM 2122 O ALA A 921 15.807 -32.516 1.422 1.00 74.20 O ATOM 2123 CB ALA A 921 14.894 -35.367 0.279 1.00 12.03 C ATOM 0 H ALA A 921 14.439 -36.451 2.430 1.00 61.11 H new ATOM 0 HA ALA A 921 16.638 -34.939 1.421 1.00 35.41 H new ATOM 0 HB1 ALA A 921 15.189 -34.710 -0.539 1.00 12.03 H new ATOM 0 HB2 ALA A 921 15.207 -36.387 0.057 1.00 12.03 H new ATOM 0 HB3 ALA A 921 13.811 -35.337 0.395 1.00 12.03 H new ATOM 2129 N GLU A 922 14.204 -33.325 2.797 1.00 21.25 N ATOM 2130 CA GLU A 922 13.752 -32.012 3.225 1.00 24.15 C ATOM 2131 C GLU A 922 14.646 -31.484 4.350 1.00 53.24 C ATOM 2132 O GLU A 922 14.855 -30.277 4.466 1.00 62.33 O ATOM 2133 CB GLU A 922 12.287 -32.052 3.663 1.00 72.22 C ATOM 2134 CG GLU A 922 11.516 -33.131 2.899 1.00 10.02 C ATOM 2135 CD GLU A 922 10.042 -32.750 2.750 1.00 13.42 C ATOM 2136 OE1 GLU A 922 9.533 -32.670 1.622 1.00 0.11 O ATOM 2137 OE2 GLU A 922 9.420 -32.533 3.859 1.00 34.54 O ATOM 0 H GLU A 922 13.700 -34.107 3.216 1.00 21.25 H new ATOM 0 HA GLU A 922 13.825 -31.330 2.378 1.00 24.15 H new ATOM 0 HB2 GLU A 922 12.229 -32.248 4.734 1.00 72.22 H new ATOM 0 HB3 GLU A 922 11.826 -31.080 3.491 1.00 72.22 H new ATOM 0 HG2 GLU A 922 11.960 -33.272 1.914 1.00 10.02 H new ATOM 0 HG3 GLU A 922 11.598 -34.082 3.424 1.00 10.02 H new ATOM 2145 N MET A 923 15.148 -32.413 5.149 1.00 24.01 N ATOM 2146 CA MET A 923 16.014 -32.056 6.260 1.00 44.01 C ATOM 2147 C MET A 923 17.244 -31.287 5.772 1.00 70.45 C ATOM 2148 O MET A 923 17.437 -30.126 6.128 1.00 33.23 O ATOM 2149 CB MET A 923 16.461 -33.325 6.987 1.00 24.55 C ATOM 2150 CG MET A 923 17.035 -32.994 8.367 1.00 40.24 C ATOM 2151 SD MET A 923 15.710 -32.761 9.539 1.00 34.43 S ATOM 2152 CE MET A 923 15.627 -34.400 10.242 1.00 33.02 C ATOM 0 H MET A 923 14.972 -33.413 5.050 1.00 24.01 H new ATOM 0 HA MET A 923 15.454 -31.415 6.941 1.00 44.01 H new ATOM 0 HB2 MET A 923 15.615 -34.004 7.094 1.00 24.55 H new ATOM 0 HB3 MET A 923 17.212 -33.844 6.392 1.00 24.55 H new ATOM 0 HG2 MET A 923 17.689 -33.799 8.701 1.00 40.24 H new ATOM 0 HG3 MET A 923 17.644 -32.092 8.310 1.00 40.24 H new ATOM 0 HE1 MET A 923 14.727 -34.490 10.851 1.00 33.02 H new ATOM 0 HE2 MET A 923 15.598 -35.138 9.441 1.00 33.02 H new ATOM 0 HE3 MET A 923 16.505 -34.574 10.864 1.00 33.02 H new ATOM 2162 N SER A 924 18.044 -31.967 4.963 1.00 50.42 N ATOM 2163 CA SER A 924 19.250 -31.362 4.422 1.00 74.32 C ATOM 2164 C SER A 924 19.490 -31.861 2.996 1.00 65.33 C ATOM 2165 O SER A 924 18.975 -32.908 2.605 1.00 43.30 O ATOM 2166 CB SER A 924 20.462 -31.668 5.303 1.00 22.21 C ATOM 2167 OG SER A 924 20.148 -31.587 6.691 1.00 73.33 O ATOM 0 H SER A 924 17.881 -32.930 4.669 1.00 50.42 H new ATOM 0 HA SER A 924 19.113 -30.281 4.404 1.00 74.32 H new ATOM 0 HB2 SER A 924 20.834 -32.666 5.073 1.00 22.21 H new ATOM 0 HB3 SER A 924 21.264 -30.968 5.071 1.00 22.21 H new ATOM 0 HG SER A 924 20.948 -31.791 7.220 1.00 73.33 H new ATOM 2173 N LYS A 925 20.274 -31.089 2.257 1.00 13.01 N ATOM 2174 CA LYS A 925 20.589 -31.439 0.883 1.00 62.43 C ATOM 2175 C LYS A 925 21.226 -32.830 0.849 1.00 73.32 C ATOM 2176 O LYS A 925 22.288 -33.045 1.430 1.00 45.13 O ATOM 2177 CB LYS A 925 21.451 -30.353 0.237 1.00 3.31 C ATOM 2178 CG LYS A 925 21.639 -30.618 -1.258 1.00 62.20 C ATOM 2179 CD LYS A 925 22.694 -29.682 -1.853 1.00 35.33 C ATOM 2180 CE LYS A 925 24.104 -30.129 -1.464 1.00 4.50 C ATOM 2181 NZ LYS A 925 24.524 -31.290 -2.280 1.00 31.03 N ATOM 0 H LYS A 925 20.700 -30.222 2.585 1.00 13.01 H new ATOM 0 HA LYS A 925 19.679 -31.489 0.285 1.00 62.43 H new ATOM 0 HB2 LYS A 925 20.983 -29.379 0.381 1.00 3.31 H new ATOM 0 HB3 LYS A 925 22.423 -30.316 0.728 1.00 3.31 H new ATOM 0 HG2 LYS A 925 21.939 -31.655 -1.412 1.00 62.20 H new ATOM 0 HG3 LYS A 925 20.691 -30.480 -1.777 1.00 62.20 H new ATOM 0 HD2 LYS A 925 22.600 -29.666 -2.939 1.00 35.33 H new ATOM 0 HD3 LYS A 925 22.522 -28.664 -1.503 1.00 35.33 H new ATOM 0 HE2 LYS A 925 24.804 -29.306 -1.605 1.00 4.50 H new ATOM 0 HE3 LYS A 925 24.130 -30.392 -0.407 1.00 4.50 H new ATOM 0 HZ1 LYS A 925 25.536 -31.475 -2.126 1.00 31.03 H new ATOM 0 HZ2 LYS A 925 23.973 -32.127 -2.002 1.00 31.03 H new ATOM 0 HZ3 LYS A 925 24.358 -31.085 -3.286 1.00 31.03 H new TER 2194 LYS A 925