USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 689 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 NoAdj-H: A 855 ARGHH11 : A 855 ARG NH1 : A 889 THR OG1 :(H bumps) USER MOD Single : A 840 THR OG1 : rot 180:sc= 0 USER MOD Single : A 842 CYS SG : rot 180:sc= 0 USER MOD Single : A 843 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ -168:sc= -1.95! (180deg=-2.76!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.596 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -100:sc= -1.69! USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 881 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.71) USER MOD Single : A 885 MET CE :methyl 142:sc= -15.3! (180deg=-23.1!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -15.5! C(o=-15!,f=-20!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 140:sc= -9.42! (180deg=-16.6!) USER MOD Single : A 898 ASN : amide:sc= -17.1! C(o=-17!,f=-22!) USER MOD Single : A 902 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.82) USER MOD Single : A 903 GLN : amide:sc= -13.1! C(o=-13!,f=-18!) USER MOD Single : A 905 SER OG : rot 180:sc= -2.97! USER MOD Single : A 912 CYS SG : rot -168:sc= -11.6! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot 77:sc= 0.00319 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 837 -9.931 -2.786 6.830 1.00 0.00 N ATOM 20 CA ALA A 837 -9.848 -3.725 5.730 1.00 0.00 C ATOM 21 C ALA A 837 -11.206 -4.374 5.502 1.00 0.00 C ATOM 22 O ALA A 837 -11.930 -3.996 4.584 1.00 0.00 O ATOM 23 CB ALA A 837 -8.791 -4.780 6.043 1.00 0.00 C ATOM 0 HA ALA A 837 -9.561 -3.200 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.727 -5.488 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -7.824 -4.296 6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -9.066 -5.311 6.955 1.00 0.00 H new ATOM 29 N ASP A 838 -11.550 -5.353 6.341 1.00 0.00 N ATOM 30 CA ASP A 838 -12.817 -6.048 6.226 1.00 0.00 C ATOM 31 C ASP A 838 -13.911 -5.064 5.838 1.00 0.00 C ATOM 32 O ASP A 838 -14.763 -5.376 5.009 1.00 0.00 O ATOM 33 CB ASP A 838 -13.146 -6.728 7.552 1.00 0.00 C ATOM 34 CG ASP A 838 -13.601 -8.163 7.330 1.00 0.00 C ATOM 35 OD1 ASP A 838 -12.809 -8.924 6.734 1.00 0.00 O ATOM 36 OD2 ASP A 838 -14.733 -8.472 7.760 1.00 0.00 O ATOM 0 H ASP A 838 -10.961 -5.678 7.108 1.00 0.00 H new ATOM 0 HA ASP A 838 -12.749 -6.810 5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -12.268 -6.717 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -13.928 -6.170 8.067 1.00 0.00 H new ATOM 41 N GLU A 839 -13.887 -3.873 6.440 1.00 0.00 N ATOM 42 CA GLU A 839 -14.875 -2.853 6.152 1.00 0.00 C ATOM 43 C GLU A 839 -14.615 -2.250 4.779 1.00 0.00 C ATOM 44 O GLU A 839 -15.547 -1.842 4.090 1.00 0.00 O ATOM 45 CB GLU A 839 -14.825 -1.778 7.234 1.00 0.00 C ATOM 46 CG GLU A 839 -16.123 -1.802 8.036 1.00 0.00 C ATOM 47 CD GLU A 839 -16.972 -0.576 7.733 1.00 0.00 C ATOM 48 OE1 GLU A 839 -16.970 -0.161 6.553 1.00 0.00 O ATOM 49 OE2 GLU A 839 -17.608 -0.076 8.686 1.00 0.00 O ATOM 0 H GLU A 839 -13.188 -3.599 7.131 1.00 0.00 H new ATOM 0 HA GLU A 839 -15.870 -3.299 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -13.974 -1.950 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -14.683 -0.797 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -16.685 -2.706 7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -15.896 -1.838 9.102 1.00 0.00 H new ATOM 56 N THR A 840 -13.342 -2.195 4.381 1.00 0.00 N ATOM 57 CA THR A 840 -12.969 -1.644 3.094 1.00 0.00 C ATOM 58 C THR A 840 -13.115 -2.706 2.013 1.00 0.00 C ATOM 59 O THR A 840 -13.782 -2.482 1.005 1.00 0.00 O ATOM 60 CB THR A 840 -11.533 -1.132 3.157 1.00 0.00 C ATOM 61 OG1 THR A 840 -11.304 -0.529 4.411 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.310 -0.104 2.051 1.00 0.00 C ATOM 0 H THR A 840 -12.556 -2.529 4.940 1.00 0.00 H new ATOM 0 HA THR A 840 -13.628 -0.812 2.848 1.00 0.00 H new ATOM 0 HB THR A 840 -10.844 -1.966 3.023 1.00 0.00 H new ATOM 0 HG1 THR A 840 -10.381 -0.201 4.453 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.284 0.262 2.096 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.487 -0.569 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 840 -11.999 0.730 2.185 1.00 0.00 H new ATOM 70 N LEU A 841 -12.489 -3.865 2.226 1.00 0.00 N ATOM 71 CA LEU A 841 -12.551 -4.955 1.273 1.00 0.00 C ATOM 72 C LEU A 841 -13.987 -5.442 1.138 1.00 0.00 C ATOM 73 O LEU A 841 -14.276 -6.311 0.318 1.00 0.00 O ATOM 74 CB LEU A 841 -11.638 -6.087 1.734 1.00 0.00 C ATOM 75 CG LEU A 841 -10.245 -5.888 1.144 1.00 0.00 C ATOM 76 CD1 LEU A 841 -9.780 -7.186 0.489 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.289 -4.778 0.098 1.00 0.00 C ATOM 0 H LEU A 841 -11.933 -4.065 3.057 1.00 0.00 H new ATOM 0 HA LEU A 841 -12.212 -4.608 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -11.585 -6.105 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -12.044 -7.048 1.419 1.00 0.00 H new ATOM 0 HG LEU A 841 -9.551 -5.612 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -8.785 -7.045 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -9.748 -7.979 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -10.474 -7.462 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -9.294 -4.636 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -10.983 -5.053 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.621 -3.851 0.565 1.00 0.00 H new ATOM 89 N CYS A 842 -14.887 -4.878 1.947 1.00 0.00 N ATOM 90 CA CYS A 842 -16.287 -5.251 1.919 1.00 0.00 C ATOM 91 C CYS A 842 -16.818 -5.132 0.497 1.00 0.00 C ATOM 92 O CYS A 842 -17.927 -5.576 0.209 1.00 0.00 O ATOM 93 CB CYS A 842 -17.073 -4.351 2.868 1.00 0.00 C ATOM 94 SG CYS A 842 -18.536 -5.249 3.442 1.00 0.00 S ATOM 0 H CYS A 842 -14.660 -4.157 2.631 1.00 0.00 H new ATOM 0 HA CYS A 842 -16.401 -6.285 2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -16.451 -4.061 3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -17.368 -3.433 2.360 1.00 0.00 H new ATOM 0 HG CYS A 842 -19.216 -4.496 4.254 1.00 0.00 H new ATOM 100 N GLN A 843 -16.023 -4.532 -0.392 1.00 0.00 N ATOM 101 CA GLN A 843 -16.419 -4.358 -1.775 1.00 0.00 C ATOM 102 C GLN A 843 -15.494 -5.158 -2.682 1.00 0.00 C ATOM 103 O GLN A 843 -14.625 -4.592 -3.341 1.00 0.00 O ATOM 104 CB GLN A 843 -16.375 -2.875 -2.133 1.00 0.00 C ATOM 105 CG GLN A 843 -16.828 -2.048 -0.933 1.00 0.00 C ATOM 106 CD GLN A 843 -18.094 -1.269 -1.257 1.00 0.00 C ATOM 107 OE1 GLN A 843 -18.109 -0.463 -2.185 1.00 0.00 O ATOM 108 NE2 GLN A 843 -19.159 -1.510 -0.489 1.00 0.00 N ATOM 0 H GLN A 843 -15.100 -4.160 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 843 -17.437 -4.723 -1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.364 -2.590 -2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -17.020 -2.677 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -17.008 -2.704 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -16.036 -1.358 -0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -19.097 -2.189 0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -20.034 -1.015 -0.661 1.00 0.00 H new ATOM 117 N THR A 844 -15.683 -6.480 -2.714 1.00 0.00 N ATOM 118 CA THR A 844 -14.866 -7.345 -3.540 1.00 0.00 C ATOM 119 C THR A 844 -13.408 -7.243 -3.114 1.00 0.00 C ATOM 120 O THR A 844 -12.866 -8.171 -2.516 1.00 0.00 O ATOM 121 CB THR A 844 -15.030 -6.952 -5.005 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.507 -8.058 -5.738 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.681 -6.512 -5.568 1.00 0.00 C ATOM 0 H THR A 844 -16.398 -6.966 -2.173 1.00 0.00 H new ATOM 0 HA THR A 844 -15.187 -8.379 -3.416 1.00 0.00 H new ATOM 0 HB THR A 844 -15.742 -6.130 -5.083 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.614 -7.805 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 844 -13.798 -6.231 -6.615 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.312 -5.657 -5.002 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.969 -7.333 -5.490 1.00 0.00 H new ATOM 131 N LYS A 845 -12.772 -6.111 -3.424 1.00 0.00 N ATOM 132 CA LYS A 845 -11.383 -5.895 -3.073 1.00 0.00 C ATOM 133 C LYS A 845 -11.101 -4.402 -2.972 1.00 0.00 C ATOM 134 O LYS A 845 -9.980 -4.000 -2.670 1.00 0.00 O ATOM 135 CB LYS A 845 -10.487 -6.545 -4.123 1.00 0.00 C ATOM 136 CG LYS A 845 -9.626 -7.618 -3.462 1.00 0.00 C ATOM 137 CD LYS A 845 -10.478 -8.852 -3.180 1.00 0.00 C ATOM 138 CE LYS A 845 -10.860 -8.881 -1.703 1.00 0.00 C ATOM 139 NZ LYS A 845 -11.821 -9.960 -1.427 1.00 0.00 N ATOM 0 H LYS A 845 -13.206 -5.332 -3.919 1.00 0.00 H new ATOM 0 HA LYS A 845 -11.174 -6.349 -2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -11.095 -6.987 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -9.853 -5.793 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -8.791 -7.880 -4.112 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -9.200 -7.237 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -11.376 -8.836 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -9.927 -9.755 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -9.966 -9.021 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -11.292 -7.922 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -12.218 -9.836 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -12.588 -9.930 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -11.337 -10.879 -1.483 1.00 0.00 H new ATOM 153 N VAL A 846 -12.123 -3.582 -3.227 1.00 0.00 N ATOM 154 CA VAL A 846 -11.981 -2.141 -3.164 1.00 0.00 C ATOM 155 C VAL A 846 -10.635 -1.731 -3.745 1.00 0.00 C ATOM 156 O VAL A 846 -9.592 -2.177 -3.273 1.00 0.00 O ATOM 157 CB VAL A 846 -12.108 -1.681 -1.715 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.566 -1.342 -1.415 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.643 -2.797 -0.784 1.00 0.00 C ATOM 0 H VAL A 846 -13.058 -3.901 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 846 -12.768 -1.667 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.490 -0.797 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -13.658 -1.013 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.898 -0.545 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -14.185 -2.226 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.734 -2.469 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -12.261 -3.682 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -10.602 -3.039 -0.998 1.00 0.00 H new ATOM 169 N LEU A 847 -10.661 -0.878 -4.772 1.00 0.00 N ATOM 170 CA LEU A 847 -9.446 -0.412 -5.410 1.00 0.00 C ATOM 171 C LEU A 847 -9.659 0.988 -5.967 1.00 0.00 C ATOM 172 O LEU A 847 -9.948 1.150 -7.150 1.00 0.00 O ATOM 173 CB LEU A 847 -9.051 -1.382 -6.520 1.00 0.00 C ATOM 174 CG LEU A 847 -9.275 -2.815 -6.048 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.246 -3.164 -4.976 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.680 -2.945 -5.466 1.00 0.00 C ATOM 0 H LEU A 847 -11.518 -0.500 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.640 -0.370 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.641 -1.186 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -8.005 -1.236 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 847 -9.167 -3.497 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.406 -4.188 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.242 -3.071 -5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.354 -2.483 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.841 -3.969 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -10.789 -2.264 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.415 -2.696 -6.231 1.00 0.00 H new ATOM 188 N LEU A 848 -9.516 2.001 -5.109 1.00 0.00 N ATOM 189 CA LEU A 848 -9.692 3.380 -5.518 1.00 0.00 C ATOM 190 C LEU A 848 -8.346 3.985 -5.892 1.00 0.00 C ATOM 191 O LEU A 848 -7.312 3.335 -5.756 1.00 0.00 O ATOM 192 CB LEU A 848 -10.342 4.168 -4.384 1.00 0.00 C ATOM 193 CG LEU A 848 -11.843 4.275 -4.635 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.575 4.396 -3.301 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.129 5.509 -5.486 1.00 0.00 C ATOM 0 H LEU A 848 -9.278 1.882 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.342 3.423 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -10.156 3.674 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.901 5.163 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 848 -12.188 3.384 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.647 4.472 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.371 3.515 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.230 5.287 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.201 5.586 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -11.784 6.400 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.607 5.423 -6.439 1.00 0.00 H new ATOM 207 N ASP A 849 -8.361 5.234 -6.364 1.00 0.00 N ATOM 208 CA ASP A 849 -7.145 5.918 -6.755 1.00 0.00 C ATOM 209 C ASP A 849 -6.396 6.384 -5.515 1.00 0.00 C ATOM 210 O ASP A 849 -5.889 7.503 -5.478 1.00 0.00 O ATOM 211 CB ASP A 849 -7.494 7.101 -7.653 1.00 0.00 C ATOM 212 CG ASP A 849 -8.399 8.086 -6.927 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.215 7.610 -6.109 1.00 0.00 O ATOM 214 OD2 ASP A 849 -8.257 9.297 -7.204 1.00 0.00 O ATOM 0 H ASP A 849 -9.210 5.787 -6.482 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.501 5.236 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -6.580 7.605 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.989 6.744 -8.556 1.00 0.00 H new ATOM 219 N ILE A 850 -6.326 5.522 -4.497 1.00 0.00 N ATOM 220 CA ILE A 850 -5.640 5.847 -3.263 1.00 0.00 C ATOM 221 C ILE A 850 -4.147 5.982 -3.525 1.00 0.00 C ATOM 222 O ILE A 850 -3.662 7.073 -3.819 1.00 0.00 O ATOM 223 CB ILE A 850 -5.913 4.759 -2.228 1.00 0.00 C ATOM 224 CG1 ILE A 850 -7.038 3.855 -2.724 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.323 5.405 -0.908 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.385 4.492 -2.395 1.00 0.00 C ATOM 0 H ILE A 850 -6.742 4.591 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 850 -6.008 6.797 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 850 -5.011 4.166 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.949 3.702 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -6.964 2.874 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.518 4.629 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.519 6.050 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.225 5.998 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.189 3.847 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.472 4.622 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.457 5.463 -2.884 1.00 0.00 H new ATOM 238 N PHE A 851 -3.416 4.870 -3.417 1.00 0.00 N ATOM 239 CA PHE A 851 -1.985 4.873 -3.643 1.00 0.00 C ATOM 240 C PHE A 851 -1.689 5.290 -5.077 1.00 0.00 C ATOM 241 O PHE A 851 -0.706 4.844 -5.665 1.00 0.00 O ATOM 242 CB PHE A 851 -1.424 3.482 -3.357 1.00 0.00 C ATOM 243 CG PHE A 851 -2.041 2.820 -2.149 1.00 0.00 C ATOM 244 CD1 PHE A 851 -2.046 3.480 -0.915 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.607 1.544 -2.263 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.616 2.865 0.206 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.178 0.929 -1.142 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.183 1.590 0.092 1.00 0.00 C ATOM 0 H PHE A 851 -3.801 3.958 -3.173 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.508 5.588 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.583 2.848 -4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.347 3.557 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.610 4.464 -0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.603 1.034 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.618 3.374 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.614 -0.055 -1.229 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.624 1.116 0.956 1.00 0.00 H new ATOM 258 N THR A 852 -2.542 6.149 -5.639 1.00 0.00 N ATOM 259 CA THR A 852 -2.363 6.619 -6.998 1.00 0.00 C ATOM 260 C THR A 852 -0.889 6.883 -7.266 1.00 0.00 C ATOM 261 O THR A 852 -0.350 7.903 -6.840 1.00 0.00 O ATOM 262 CB THR A 852 -3.187 7.887 -7.209 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.769 7.861 -8.493 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.281 9.108 -7.086 1.00 0.00 C ATOM 0 H THR A 852 -3.362 6.529 -5.166 1.00 0.00 H new ATOM 0 HA THR A 852 -2.706 5.857 -7.697 1.00 0.00 H new ATOM 0 HB THR A 852 -3.972 7.940 -6.455 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.299 8.674 -8.628 1.00 0.00 H new ATOM 0 HG21 THR A 852 -2.869 10.014 -7.237 1.00 0.00 H new ATOM 0 HG22 THR A 852 -1.831 9.128 -6.094 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.495 9.056 -7.840 1.00 0.00 H new ATOM 272 N GLY A 853 -0.235 5.961 -7.976 1.00 0.00 N ATOM 273 CA GLY A 853 1.172 6.103 -8.295 1.00 0.00 C ATOM 274 C GLY A 853 2.019 5.888 -7.049 1.00 0.00 C ATOM 275 O GLY A 853 3.242 6.008 -7.098 1.00 0.00 O ATOM 0 H GLY A 853 -0.665 5.110 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.453 5.382 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.361 7.095 -8.705 1.00 0.00 H new ATOM 279 N VAL A 854 1.366 5.571 -5.929 1.00 0.00 N ATOM 280 CA VAL A 854 2.059 5.342 -4.677 1.00 0.00 C ATOM 281 C VAL A 854 2.755 3.989 -4.714 1.00 0.00 C ATOM 282 O VAL A 854 2.097 2.951 -4.733 1.00 0.00 O ATOM 283 CB VAL A 854 1.061 5.406 -3.525 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.534 4.501 -2.391 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.958 6.842 -3.020 1.00 0.00 C ATOM 0 H VAL A 854 0.353 5.469 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 854 2.815 6.113 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 854 0.083 5.072 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 854 0.821 4.547 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 854 1.608 3.475 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.512 4.834 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.245 6.888 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.935 7.176 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.620 7.489 -3.829 1.00 0.00 H new ATOM 295 N ARG A 855 4.090 4.003 -4.725 1.00 0.00 N ATOM 296 CA ARG A 855 4.867 2.781 -4.760 1.00 0.00 C ATOM 297 C ARG A 855 5.384 2.458 -3.366 1.00 0.00 C ATOM 298 O ARG A 855 6.544 2.722 -3.055 1.00 0.00 O ATOM 299 CB ARG A 855 6.024 2.943 -5.742 1.00 0.00 C ATOM 300 CG ARG A 855 7.148 3.733 -5.077 1.00 0.00 C ATOM 301 CD ARG A 855 8.001 4.405 -6.149 1.00 0.00 C ATOM 302 NE ARG A 855 7.170 5.173 -7.076 1.00 0.00 N ATOM 303 CZ ARG A 855 7.119 6.512 -7.068 1.00 0.00 C ATOM 304 NH1 ARG A 855 7.851 7.205 -6.184 1.00 0.00 N ATOM 305 NH2 ARG A 855 6.337 7.159 -7.942 1.00 0.00 N ATOM 0 H ARG A 855 4.649 4.856 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 855 4.238 1.955 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.389 1.965 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.684 3.459 -6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.731 4.484 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.764 3.069 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG A 855 8.731 5.064 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 855 8.562 3.649 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 855 6.605 4.667 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 855 7.812 8.224 -6.178 1.00 0.00 H new ATOM 0 HH21 ARG A 855 5.780 6.632 -8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 855 6.299 8.178 -7.935 1.00 0.00 H new ATOM 319 N LEU A 856 4.521 1.884 -2.525 1.00 0.00 N ATOM 320 CA LEU A 856 4.894 1.528 -1.170 1.00 0.00 C ATOM 321 C LEU A 856 5.327 0.070 -1.120 1.00 0.00 C ATOM 322 O LEU A 856 4.589 -0.815 -1.548 1.00 0.00 O ATOM 323 CB LEU A 856 3.712 1.773 -0.237 1.00 0.00 C ATOM 324 CG LEU A 856 3.325 0.465 0.448 1.00 0.00 C ATOM 325 CD1 LEU A 856 2.799 -0.519 -0.593 1.00 0.00 C ATOM 326 CD2 LEU A 856 4.550 -0.129 1.137 1.00 0.00 C ATOM 0 H LEU A 856 3.556 1.658 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 856 5.731 2.146 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 856 3.973 2.523 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 856 2.865 2.165 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 856 2.549 0.658 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 856 2.523 -1.453 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 856 1.924 -0.095 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 856 3.574 -0.713 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 856 4.275 -1.063 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 856 5.326 -0.322 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 856 4.925 0.574 1.881 1.00 0.00 H new ATOM 338 N TYR A 857 6.528 -0.180 -0.594 1.00 0.00 N ATOM 339 CA TYR A 857 7.052 -1.527 -0.493 1.00 0.00 C ATOM 340 C TYR A 857 6.189 -2.346 0.456 1.00 0.00 C ATOM 341 O TYR A 857 6.203 -2.119 1.664 1.00 0.00 O ATOM 342 CB TYR A 857 8.496 -1.475 -0.003 1.00 0.00 C ATOM 343 CG TYR A 857 8.852 -2.595 0.945 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.437 -3.904 0.670 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.596 -2.325 2.100 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.766 -4.942 1.549 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.925 -3.364 2.979 1.00 0.00 C ATOM 348 CZ TYR A 857 9.511 -4.672 2.704 1.00 0.00 C ATOM 349 OH TYR A 857 9.831 -5.684 3.561 1.00 0.00 O ATOM 0 H TYR A 857 7.152 0.542 -0.233 1.00 0.00 H new ATOM 0 HA TYR A 857 7.032 -2.004 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.165 -1.512 -0.863 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.668 -0.520 0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 857 7.863 -4.112 -0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.916 -1.316 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.445 -5.951 1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.499 -3.156 3.870 1.00 0.00 H new ATOM 0 HH TYR A 857 10.351 -5.326 4.311 1.00 0.00 H new ATOM 359 N LEU A 858 5.436 -3.303 -0.093 1.00 0.00 N ATOM 360 CA LEU A 858 4.573 -4.150 0.706 1.00 0.00 C ATOM 361 C LEU A 858 5.321 -5.410 1.116 1.00 0.00 C ATOM 362 O LEU A 858 5.625 -6.255 0.277 1.00 0.00 O ATOM 363 CB LEU A 858 3.323 -4.500 -0.096 1.00 0.00 C ATOM 364 CG LEU A 858 2.367 -5.305 0.779 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.712 -5.082 2.249 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.933 -4.851 0.518 1.00 0.00 C ATOM 0 H LEU A 858 5.413 -3.504 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 858 4.273 -3.620 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.835 -3.590 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.595 -5.075 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 858 2.462 -6.364 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 858 2.029 -5.657 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.736 -5.407 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.618 -4.023 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.250 -5.426 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.838 -3.792 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.686 -5.011 -0.532 1.00 0.00 H new ATOM 378 N PRO A 859 5.618 -5.534 2.412 1.00 0.00 N ATOM 379 CA PRO A 859 6.322 -6.662 2.983 1.00 0.00 C ATOM 380 C PRO A 859 5.406 -7.878 3.003 1.00 0.00 C ATOM 381 O PRO A 859 4.195 -7.743 3.162 1.00 0.00 O ATOM 382 CB PRO A 859 6.680 -6.223 4.401 1.00 0.00 C ATOM 383 CG PRO A 859 5.546 -5.262 4.754 1.00 0.00 C ATOM 384 CD PRO A 859 5.276 -4.560 3.425 1.00 0.00 C ATOM 0 HA PRO A 859 7.209 -6.941 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.722 -7.068 5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.653 -5.732 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.666 -5.791 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.840 -4.557 5.532 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.232 -4.256 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.880 -3.658 3.325 1.00 0.00 H new ATOM 392 N PRO A 860 5.989 -9.068 2.839 1.00 0.00 N ATOM 393 CA PRO A 860 5.279 -10.329 2.831 1.00 0.00 C ATOM 394 C PRO A 860 4.822 -10.668 4.242 1.00 0.00 C ATOM 395 O PRO A 860 3.918 -11.480 4.427 1.00 0.00 O ATOM 396 CB PRO A 860 6.298 -11.349 2.326 1.00 0.00 C ATOM 397 CG PRO A 860 7.626 -10.767 2.808 1.00 0.00 C ATOM 398 CD PRO A 860 7.410 -9.263 2.650 1.00 0.00 C ATOM 0 HA PRO A 860 4.387 -10.309 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 860 6.117 -12.341 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 860 6.269 -11.447 1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.836 -11.040 3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.465 -11.121 2.208 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.987 -8.702 3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.728 -8.920 1.666 1.00 0.00 H new ATOM 406 N SER A 861 5.450 -10.043 5.241 1.00 0.00 N ATOM 407 CA SER A 861 5.105 -10.282 6.628 1.00 0.00 C ATOM 408 C SER A 861 3.914 -9.419 7.020 1.00 0.00 C ATOM 409 O SER A 861 3.269 -9.672 8.035 1.00 0.00 O ATOM 410 CB SER A 861 6.311 -9.973 7.511 1.00 0.00 C ATOM 411 OG SER A 861 6.726 -11.149 8.168 1.00 0.00 O ATOM 0 H SER A 861 6.202 -9.367 5.105 1.00 0.00 H new ATOM 0 HA SER A 861 4.830 -11.328 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 861 7.126 -9.575 6.906 1.00 0.00 H new ATOM 0 HB3 SER A 861 6.053 -9.207 8.242 1.00 0.00 H new ATOM 0 HG SER A 861 7.501 -10.951 8.734 1.00 0.00 H new ATOM 417 N THR A 862 3.622 -8.398 6.211 1.00 0.00 N ATOM 418 CA THR A 862 2.510 -7.509 6.480 1.00 0.00 C ATOM 419 C THR A 862 1.203 -8.287 6.443 1.00 0.00 C ATOM 420 O THR A 862 1.029 -9.176 5.612 1.00 0.00 O ATOM 421 CB THR A 862 2.498 -6.385 5.448 1.00 0.00 C ATOM 422 OG1 THR A 862 2.915 -5.183 6.057 1.00 0.00 O ATOM 423 CG2 THR A 862 1.085 -6.213 4.898 1.00 0.00 C ATOM 0 H THR A 862 4.146 -8.173 5.365 1.00 0.00 H new ATOM 0 HA THR A 862 2.621 -7.074 7.473 1.00 0.00 H new ATOM 0 HB THR A 862 3.177 -6.634 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 862 2.131 -4.637 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 862 1.077 -5.410 4.161 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.762 -7.141 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.405 -5.964 5.713 1.00 0.00 H new ATOM 431 N PRO A 863 0.281 -7.950 7.349 1.00 0.00 N ATOM 432 CA PRO A 863 -1.018 -8.578 7.463 1.00 0.00 C ATOM 433 C PRO A 863 -1.899 -8.143 6.301 1.00 0.00 C ATOM 434 O PRO A 863 -1.856 -6.987 5.886 1.00 0.00 O ATOM 435 CB PRO A 863 -1.578 -8.077 8.793 1.00 0.00 C ATOM 436 CG PRO A 863 -0.939 -6.696 8.931 1.00 0.00 C ATOM 437 CD PRO A 863 0.453 -6.911 8.340 1.00 0.00 C ATOM 0 HA PRO A 863 -0.968 -9.666 7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.666 -8.019 8.777 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.305 -8.733 9.620 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.497 -5.935 8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -0.892 -6.373 9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.837 -5.995 7.890 1.00 0.00 H new ATOM 0 HD3 PRO A 863 1.166 -7.212 9.108 1.00 0.00 H new ATOM 445 N ASP A 864 -2.699 -9.073 5.776 1.00 0.00 N ATOM 446 CA ASP A 864 -3.583 -8.782 4.665 1.00 0.00 C ATOM 447 C ASP A 864 -2.771 -8.634 3.386 1.00 0.00 C ATOM 448 O ASP A 864 -3.280 -8.152 2.378 1.00 0.00 O ATOM 449 CB ASP A 864 -4.366 -7.506 4.959 1.00 0.00 C ATOM 450 CG ASP A 864 -5.862 -7.783 4.999 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.432 -7.975 3.903 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.407 -7.797 6.123 1.00 0.00 O ATOM 0 H ASP A 864 -2.747 -10.036 6.110 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.288 -9.602 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.044 -7.089 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.151 -6.759 4.195 1.00 0.00 H new ATOM 457 N PHE A 865 -1.503 -9.050 3.430 1.00 0.00 N ATOM 458 CA PHE A 865 -0.630 -8.960 2.276 1.00 0.00 C ATOM 459 C PHE A 865 -1.382 -9.394 1.026 1.00 0.00 C ATOM 460 O PHE A 865 -1.371 -8.691 0.018 1.00 0.00 O ATOM 461 CB PHE A 865 0.599 -9.837 2.501 1.00 0.00 C ATOM 462 CG PHE A 865 1.729 -9.546 1.542 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.344 -8.288 1.546 1.00 0.00 C ATOM 464 CD2 PHE A 865 2.161 -10.533 0.649 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.390 -8.018 0.656 1.00 0.00 C ATOM 466 CE2 PHE A 865 3.207 -10.263 -0.241 1.00 0.00 C ATOM 467 CZ PHE A 865 3.822 -9.005 -0.237 1.00 0.00 C ATOM 0 H PHE A 865 -1.065 -9.452 4.259 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.304 -7.929 2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.954 -9.697 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.311 -10.884 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 865 2.011 -7.526 2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.687 -11.503 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.864 -7.048 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 865 3.540 -11.025 -0.931 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.630 -8.797 -0.923 1.00 0.00 H new ATOM 477 N SER A 866 -2.036 -10.556 1.093 1.00 0.00 N ATOM 478 CA SER A 866 -2.788 -11.075 -0.031 1.00 0.00 C ATOM 479 C SER A 866 -3.269 -9.926 -0.905 1.00 0.00 C ATOM 480 O SER A 866 -2.675 -9.641 -1.943 1.00 0.00 O ATOM 481 CB SER A 866 -3.969 -11.894 0.483 1.00 0.00 C ATOM 482 OG SER A 866 -4.690 -12.416 -0.611 1.00 0.00 O ATOM 0 H SER A 866 -2.054 -11.151 1.921 1.00 0.00 H new ATOM 0 HA SER A 866 -2.149 -11.721 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 866 -3.614 -12.705 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.619 -11.270 1.096 1.00 0.00 H new ATOM 0 HG SER A 866 -5.448 -12.943 -0.282 1.00 0.00 H new ATOM 488 N ARG A 867 -4.349 -9.264 -0.483 1.00 0.00 N ATOM 489 CA ARG A 867 -4.904 -8.151 -1.226 1.00 0.00 C ATOM 490 C ARG A 867 -3.934 -6.978 -1.199 1.00 0.00 C ATOM 491 O ARG A 867 -3.738 -6.309 -2.211 1.00 0.00 O ATOM 492 CB ARG A 867 -6.247 -7.755 -0.621 1.00 0.00 C ATOM 493 CG ARG A 867 -7.060 -9.012 -0.321 1.00 0.00 C ATOM 494 CD ARG A 867 -7.487 -9.004 1.144 1.00 0.00 C ATOM 495 NE ARG A 867 -8.930 -9.206 1.271 1.00 0.00 N ATOM 496 CZ ARG A 867 -9.527 -10.374 0.996 1.00 0.00 C ATOM 497 NH1 ARG A 867 -8.795 -11.420 0.587 1.00 0.00 N ATOM 498 NH2 ARG A 867 -10.854 -10.497 1.131 1.00 0.00 N ATOM 0 H ARG A 867 -4.853 -9.488 0.375 1.00 0.00 H new ATOM 0 HA ARG A 867 -5.060 -8.444 -2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -6.091 -7.183 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.793 -7.112 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -7.937 -9.053 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -6.466 -9.901 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -6.958 -9.788 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.207 -8.056 1.603 1.00 0.00 H new ATOM 0 HE ARG A 867 -9.507 -8.424 1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.784 -11.327 0.485 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -9.249 -12.309 0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -11.411 -9.701 1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -11.308 -11.386 0.922 1.00 0.00 H new ATOM 512 N LEU A 868 -3.326 -6.730 -0.036 1.00 0.00 N ATOM 513 CA LEU A 868 -2.382 -5.642 0.116 1.00 0.00 C ATOM 514 C LEU A 868 -1.572 -5.478 -1.162 1.00 0.00 C ATOM 515 O LEU A 868 -1.438 -4.370 -1.677 1.00 0.00 O ATOM 516 CB LEU A 868 -1.466 -5.926 1.304 1.00 0.00 C ATOM 517 CG LEU A 868 -2.004 -5.216 2.542 1.00 0.00 C ATOM 518 CD1 LEU A 868 -0.902 -4.355 3.154 1.00 0.00 C ATOM 519 CD2 LEU A 868 -3.183 -4.330 2.149 1.00 0.00 C ATOM 0 H LEU A 868 -3.478 -7.276 0.812 1.00 0.00 H new ATOM 0 HA LEU A 868 -2.920 -4.713 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.408 -7.000 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.454 -5.584 1.087 1.00 0.00 H new ATOM 0 HG LEU A 868 -2.334 -5.957 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -1.286 -3.847 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -0.060 -4.988 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.572 -3.614 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.568 -3.823 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -2.854 -3.589 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.970 -4.945 1.712 1.00 0.00 H new ATOM 531 N ARG A 869 -1.030 -6.586 -1.673 1.00 0.00 N ATOM 532 CA ARG A 869 -0.237 -6.560 -2.885 1.00 0.00 C ATOM 533 C ARG A 869 -1.110 -6.158 -4.065 1.00 0.00 C ATOM 534 O ARG A 869 -1.103 -5.000 -4.479 1.00 0.00 O ATOM 535 CB ARG A 869 0.382 -7.935 -3.116 1.00 0.00 C ATOM 536 CG ARG A 869 1.516 -7.819 -4.131 1.00 0.00 C ATOM 537 CD ARG A 869 2.857 -7.891 -3.406 1.00 0.00 C ATOM 538 NE ARG A 869 3.223 -9.277 -3.114 1.00 0.00 N ATOM 539 CZ ARG A 869 3.855 -10.062 -3.998 1.00 0.00 C ATOM 540 NH1 ARG A 869 4.179 -9.584 -5.207 1.00 0.00 N ATOM 541 NH2 ARG A 869 4.163 -11.325 -3.672 1.00 0.00 N ATOM 0 H ARG A 869 -1.132 -7.512 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 869 0.563 -5.827 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.760 -8.338 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 869 -0.375 -8.630 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 869 1.444 -8.621 -4.866 1.00 0.00 H new ATOM 0 HG3 ARG A 869 1.435 -6.879 -4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 869 3.631 -7.428 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 869 2.803 -7.322 -2.478 1.00 0.00 H new ATOM 0 HE ARG A 869 2.987 -9.662 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 869 3.945 -8.623 -5.455 1.00 0.00 H new ATOM 0 HH12 ARG A 869 4.660 -10.181 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 869 3.917 -11.689 -2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 869 4.644 -11.922 -4.344 1.00 0.00 H new ATOM 555 N ARG A 870 -1.865 -7.117 -4.606 1.00 0.00 N ATOM 556 CA ARG A 870 -2.738 -6.859 -5.733 1.00 0.00 C ATOM 557 C ARG A 870 -3.474 -5.544 -5.525 1.00 0.00 C ATOM 558 O ARG A 870 -3.345 -4.624 -6.330 1.00 0.00 O ATOM 559 CB ARG A 870 -3.725 -8.013 -5.885 1.00 0.00 C ATOM 560 CG ARG A 870 -4.551 -7.812 -7.152 1.00 0.00 C ATOM 561 CD ARG A 870 -6.034 -7.774 -6.793 1.00 0.00 C ATOM 562 NE ARG A 870 -6.855 -7.527 -7.978 1.00 0.00 N ATOM 563 CZ ARG A 870 -7.270 -8.507 -8.791 1.00 0.00 C ATOM 564 NH1 ARG A 870 -6.935 -9.779 -8.533 1.00 0.00 N ATOM 565 NH2 ARG A 870 -8.021 -8.217 -9.863 1.00 0.00 N ATOM 0 H ARG A 870 -1.883 -8.081 -4.273 1.00 0.00 H new ATOM 0 HA ARG A 870 -2.147 -6.781 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -3.188 -8.960 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.380 -8.063 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -4.261 -6.884 -7.644 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -4.357 -8.620 -7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -6.325 -8.719 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -6.213 -6.993 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 870 -7.123 -6.567 -8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -6.364 -10.001 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -7.251 -10.525 -9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -8.277 -7.249 -10.060 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -8.337 -8.964 -10.482 1.00 0.00 H new ATOM 579 N TYR A 871 -4.248 -5.455 -4.441 1.00 0.00 N ATOM 580 CA TYR A 871 -4.999 -4.255 -4.135 1.00 0.00 C ATOM 581 C TYR A 871 -4.167 -3.025 -4.471 1.00 0.00 C ATOM 582 O TYR A 871 -4.528 -2.252 -5.355 1.00 0.00 O ATOM 583 CB TYR A 871 -5.386 -4.260 -2.659 1.00 0.00 C ATOM 584 CG TYR A 871 -6.430 -3.229 -2.306 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.570 -3.084 -3.106 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.260 -2.417 -1.177 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.539 -2.128 -2.778 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.229 -1.461 -0.850 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.368 -1.317 -1.650 1.00 0.00 C ATOM 590 OH TYR A 871 -9.313 -0.386 -1.330 1.00 0.00 O ATOM 0 H TYR A 871 -4.365 -6.208 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.909 -4.228 -4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.759 -5.249 -2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.494 -4.083 -2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.702 -3.710 -3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.381 -2.529 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.418 -2.016 -3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.097 -0.835 0.020 1.00 0.00 H new ATOM 600 N PHE A 872 -3.050 -2.846 -3.762 1.00 0.00 N ATOM 601 CA PHE A 872 -2.176 -1.713 -3.990 1.00 0.00 C ATOM 602 C PHE A 872 -1.868 -1.589 -5.476 1.00 0.00 C ATOM 603 O PHE A 872 -2.628 -0.973 -6.220 1.00 0.00 O ATOM 604 CB PHE A 872 -0.892 -1.893 -3.184 1.00 0.00 C ATOM 605 CG PHE A 872 -0.104 -0.617 -3.014 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.359 0.076 -4.139 1.00 0.00 C ATOM 607 CD2 PHE A 872 0.166 -0.127 -1.730 1.00 0.00 C ATOM 608 CE1 PHE A 872 1.092 1.258 -3.981 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.899 1.056 -1.572 1.00 0.00 C ATOM 610 CZ PHE A 872 1.362 1.748 -2.698 1.00 0.00 C ATOM 0 H PHE A 872 -2.736 -3.478 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.669 -0.797 -3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.143 -2.290 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.264 -2.635 -3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.151 -0.302 -5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.191 -0.661 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.449 1.792 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 872 1.107 1.434 -0.582 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.928 2.660 -2.576 1.00 0.00 H new ATOM 620 N VAL A 873 -0.749 -2.177 -5.906 1.00 0.00 N ATOM 621 CA VAL A 873 -0.347 -2.130 -7.297 1.00 0.00 C ATOM 622 C VAL A 873 -1.579 -2.053 -8.187 1.00 0.00 C ATOM 623 O VAL A 873 -1.557 -1.398 -9.227 1.00 0.00 O ATOM 624 CB VAL A 873 0.483 -3.367 -7.628 1.00 0.00 C ATOM 625 CG1 VAL A 873 0.121 -4.495 -6.667 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.192 -3.806 -9.061 1.00 0.00 C ATOM 0 H VAL A 873 -0.109 -2.691 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 873 0.261 -1.243 -7.474 1.00 0.00 H new ATOM 0 HB VAL A 873 1.542 -3.131 -7.528 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.714 -5.379 -6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.328 -4.182 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -0.938 -4.732 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 873 0.785 -4.690 -9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.867 -4.042 -9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.451 -3.000 -9.748 1.00 0.00 H new ATOM 636 N ALA A 874 -2.657 -2.725 -7.776 1.00 0.00 N ATOM 637 CA ALA A 874 -3.891 -2.730 -8.536 1.00 0.00 C ATOM 638 C ALA A 874 -4.388 -1.303 -8.722 1.00 0.00 C ATOM 639 O ALA A 874 -4.599 -0.859 -9.848 1.00 0.00 O ATOM 640 CB ALA A 874 -4.932 -3.575 -7.809 1.00 0.00 C ATOM 0 H ALA A 874 -2.691 -3.272 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.715 -3.163 -9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.860 -3.579 -8.380 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.565 -4.596 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -5.116 -3.154 -6.820 1.00 0.00 H new ATOM 646 N PHE A 875 -4.575 -0.585 -7.612 1.00 0.00 N ATOM 647 CA PHE A 875 -5.046 0.784 -7.660 1.00 0.00 C ATOM 648 C PHE A 875 -4.408 1.509 -8.837 1.00 0.00 C ATOM 649 O PHE A 875 -5.083 2.238 -9.560 1.00 0.00 O ATOM 650 CB PHE A 875 -4.707 1.484 -6.347 1.00 0.00 C ATOM 651 CG PHE A 875 -5.244 0.770 -5.129 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.954 -0.428 -5.275 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.034 1.308 -3.853 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.453 -1.088 -4.146 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.533 0.647 -2.724 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.243 -0.551 -2.871 1.00 0.00 C ATOM 0 H PHE A 875 -4.404 -0.938 -6.671 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.128 0.795 -7.795 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.624 1.571 -6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.107 2.498 -6.371 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -6.117 -0.843 -6.259 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.487 2.233 -3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -7.000 -2.012 -4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.370 1.061 -1.740 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.629 -1.061 -2.000 1.00 0.00 H new ATOM 666 N ASP A 876 -3.102 1.306 -9.029 1.00 0.00 N ATOM 667 CA ASP A 876 -2.381 1.940 -10.114 1.00 0.00 C ATOM 668 C ASP A 876 -0.981 2.315 -9.652 1.00 0.00 C ATOM 669 O ASP A 876 -0.291 3.083 -10.319 1.00 0.00 O ATOM 670 CB ASP A 876 -3.147 3.175 -10.580 1.00 0.00 C ATOM 671 CG ASP A 876 -4.109 2.826 -11.707 1.00 0.00 C ATOM 672 OD1 ASP A 876 -3.757 1.919 -12.492 1.00 0.00 O ATOM 673 OD2 ASP A 876 -5.177 3.472 -11.762 1.00 0.00 O ATOM 0 H ASP A 876 -2.528 0.703 -8.439 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.292 1.248 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -3.700 3.601 -9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -2.445 3.937 -10.919 1.00 0.00 H new ATOM 678 N GLY A 877 -0.561 1.773 -8.507 1.00 0.00 N ATOM 679 CA GLY A 877 0.754 2.057 -7.967 1.00 0.00 C ATOM 680 C GLY A 877 1.726 0.944 -8.333 1.00 0.00 C ATOM 681 O GLY A 877 1.669 0.404 -9.435 1.00 0.00 O ATOM 0 H GLY A 877 -1.120 1.135 -7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 877 1.117 3.009 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.696 2.157 -6.883 1.00 0.00 H new ATOM 685 N ASP A 878 2.622 0.604 -7.404 1.00 0.00 N ATOM 686 CA ASP A 878 3.601 -0.440 -7.632 1.00 0.00 C ATOM 687 C ASP A 878 4.156 -0.925 -6.301 1.00 0.00 C ATOM 688 O ASP A 878 4.052 -0.231 -5.293 1.00 0.00 O ATOM 689 CB ASP A 878 4.719 0.099 -8.521 1.00 0.00 C ATOM 690 CG ASP A 878 4.634 -0.492 -9.920 1.00 0.00 C ATOM 691 OD1 ASP A 878 4.114 -1.624 -10.028 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.092 0.198 -10.857 1.00 0.00 O ATOM 0 H ASP A 878 2.683 1.044 -6.486 1.00 0.00 H new ATOM 0 HA ASP A 878 3.129 -1.284 -8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.653 1.186 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.687 -0.139 -8.080 1.00 0.00 H new ATOM 697 N LEU A 879 4.748 -2.123 -6.300 1.00 0.00 N ATOM 698 CA LEU A 879 5.315 -2.694 -5.095 1.00 0.00 C ATOM 699 C LEU A 879 6.707 -3.237 -5.386 1.00 0.00 C ATOM 700 O LEU A 879 6.872 -4.096 -6.250 1.00 0.00 O ATOM 701 CB LEU A 879 4.401 -3.800 -4.578 1.00 0.00 C ATOM 702 CG LEU A 879 2.946 -3.353 -4.692 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.053 -4.324 -3.925 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.798 -1.952 -4.104 1.00 0.00 C ATOM 0 H LEU A 879 4.843 -2.711 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 879 5.400 -1.923 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 879 4.558 -4.714 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.642 -4.030 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 879 2.651 -3.341 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 879 1.014 -4.005 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 879 2.159 -5.325 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.347 -4.337 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.759 -1.631 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 879 3.093 -1.965 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 879 3.435 -1.258 -4.652 1.00 0.00 H new ATOM 716 N VAL A 880 7.709 -2.734 -4.662 1.00 0.00 N ATOM 717 CA VAL A 880 9.079 -3.169 -4.845 1.00 0.00 C ATOM 718 C VAL A 880 9.473 -4.115 -3.720 1.00 0.00 C ATOM 719 O VAL A 880 9.156 -3.868 -2.559 1.00 0.00 O ATOM 720 CB VAL A 880 9.999 -1.952 -4.876 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.891 -2.019 -6.112 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.158 -0.680 -4.925 1.00 0.00 C ATOM 0 H VAL A 880 7.587 -2.022 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 880 9.173 -3.702 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 880 10.620 -1.944 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.548 -1.150 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.492 -2.928 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.271 -2.028 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.815 0.190 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.537 -0.689 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.521 -0.631 -4.042 1.00 0.00 H new ATOM 732 N GLN A 881 10.167 -5.202 -4.067 1.00 0.00 N ATOM 733 CA GLN A 881 10.599 -6.178 -3.087 1.00 0.00 C ATOM 734 C GLN A 881 11.573 -5.533 -2.111 1.00 0.00 C ATOM 735 O GLN A 881 12.506 -4.847 -2.523 1.00 0.00 O ATOM 736 CB GLN A 881 11.251 -7.359 -3.800 1.00 0.00 C ATOM 737 CG GLN A 881 10.364 -7.808 -4.957 1.00 0.00 C ATOM 738 CD GLN A 881 11.163 -7.902 -6.249 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.486 -6.884 -6.857 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.480 -9.129 -6.669 1.00 0.00 N ATOM 0 H GLN A 881 10.438 -5.421 -5.026 1.00 0.00 H new ATOM 0 HA GLN A 881 9.738 -6.540 -2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.235 -7.075 -4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.400 -8.182 -3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.922 -8.777 -4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.541 -7.105 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 881 11.189 -9.944 -6.129 1.00 0.00 H new ATOM 0 HE22 GLN A 881 12.013 -9.251 -7.530 1.00 0.00 H new ATOM 749 N GLU A 882 11.355 -5.755 -0.812 1.00 0.00 N ATOM 750 CA GLU A 882 12.215 -5.196 0.211 1.00 0.00 C ATOM 751 C GLU A 882 13.617 -4.987 -0.345 1.00 0.00 C ATOM 752 O GLU A 882 14.040 -3.853 -0.559 1.00 0.00 O ATOM 753 CB GLU A 882 12.245 -6.132 1.416 1.00 0.00 C ATOM 754 CG GLU A 882 13.040 -5.483 2.545 1.00 0.00 C ATOM 755 CD GLU A 882 13.740 -6.536 3.392 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.093 -7.587 2.813 1.00 0.00 O ATOM 757 OE2 GLU A 882 13.911 -6.271 4.601 1.00 0.00 O ATOM 0 H GLU A 882 10.586 -6.321 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 882 11.826 -4.228 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.229 -6.346 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.697 -7.084 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.777 -4.797 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.373 -4.891 3.172 1.00 0.00 H new ATOM 764 N PHE A 883 14.337 -6.086 -0.579 1.00 0.00 N ATOM 765 CA PHE A 883 15.684 -6.017 -1.109 1.00 0.00 C ATOM 766 C PHE A 883 15.665 -5.369 -2.486 1.00 0.00 C ATOM 767 O PHE A 883 16.680 -5.346 -3.178 1.00 0.00 O ATOM 768 CB PHE A 883 16.274 -7.423 -1.180 1.00 0.00 C ATOM 769 CG PHE A 883 15.701 -8.261 -2.297 1.00 0.00 C ATOM 770 CD1 PHE A 883 16.288 -8.230 -3.568 1.00 0.00 C ATOM 771 CD2 PHE A 883 14.581 -9.068 -2.064 1.00 0.00 C ATOM 772 CE1 PHE A 883 15.756 -9.006 -4.604 1.00 0.00 C ATOM 773 CE2 PHE A 883 14.048 -9.843 -3.100 1.00 0.00 C ATOM 774 CZ PHE A 883 14.636 -9.813 -4.370 1.00 0.00 C ATOM 0 H PHE A 883 14.001 -7.033 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 883 16.306 -5.409 -0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.354 -7.349 -1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.100 -7.930 -0.231 1.00 0.00 H new ATOM 0 HD1 PHE A 883 17.152 -7.607 -3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 883 14.128 -9.092 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 883 16.209 -8.982 -5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 883 13.183 -10.464 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.226 -10.412 -5.169 1.00 0.00 H new ATOM 784 N ASP A 884 14.504 -4.842 -2.884 1.00 0.00 N ATOM 785 CA ASP A 884 14.359 -4.199 -4.174 1.00 0.00 C ATOM 786 C ASP A 884 13.508 -2.945 -4.031 1.00 0.00 C ATOM 787 O ASP A 884 12.282 -3.022 -4.035 1.00 0.00 O ATOM 788 CB ASP A 884 13.723 -5.175 -5.159 1.00 0.00 C ATOM 789 CG ASP A 884 14.618 -6.387 -5.379 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.834 -6.248 -5.124 1.00 0.00 O ATOM 791 OD2 ASP A 884 14.069 -7.429 -5.797 1.00 0.00 O ATOM 0 H ASP A 884 13.653 -4.853 -2.322 1.00 0.00 H new ATOM 0 HA ASP A 884 15.339 -3.908 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.753 -5.498 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.544 -4.673 -6.110 1.00 0.00 H new ATOM 796 N MET A 885 14.162 -1.788 -3.905 1.00 0.00 N ATOM 797 CA MET A 885 13.461 -0.528 -3.760 1.00 0.00 C ATOM 798 C MET A 885 14.278 0.594 -4.384 1.00 0.00 C ATOM 799 O MET A 885 13.720 1.528 -4.956 1.00 0.00 O ATOM 800 CB MET A 885 13.209 -0.254 -2.280 1.00 0.00 C ATOM 801 CG MET A 885 14.230 -1.018 -1.441 1.00 0.00 C ATOM 802 SD MET A 885 13.779 -1.170 0.305 1.00 0.00 S ATOM 803 CE MET A 885 12.361 -2.283 0.142 1.00 0.00 C ATOM 0 H MET A 885 15.179 -1.707 -3.901 1.00 0.00 H new ATOM 0 HA MET A 885 12.502 -0.581 -4.275 1.00 0.00 H new ATOM 0 HB2 MET A 885 13.284 0.815 -2.079 1.00 0.00 H new ATOM 0 HB3 MET A 885 12.198 -0.559 -2.009 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.357 -2.016 -1.861 1.00 0.00 H new ATOM 0 HG3 MET A 885 15.195 -0.516 -1.514 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.359 -2.994 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.439 -1.702 0.161 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.430 -2.824 -0.802 1.00 0.00 H new ATOM 813 N THR A 886 15.605 0.502 -4.272 1.00 0.00 N ATOM 814 CA THR A 886 16.487 1.509 -4.827 1.00 0.00 C ATOM 815 C THR A 886 15.706 2.433 -5.749 1.00 0.00 C ATOM 816 O THR A 886 15.737 3.650 -5.585 1.00 0.00 O ATOM 817 CB THR A 886 17.624 0.827 -5.582 1.00 0.00 C ATOM 818 OG1 THR A 886 17.153 0.374 -6.832 1.00 0.00 O ATOM 819 CG2 THR A 886 18.134 -0.361 -4.770 1.00 0.00 C ATOM 0 H THR A 886 16.085 -0.264 -3.800 1.00 0.00 H new ATOM 0 HA THR A 886 16.910 2.109 -4.021 1.00 0.00 H new ATOM 0 HB THR A 886 18.436 1.538 -5.735 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.883 -0.063 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.946 -0.848 -5.309 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.498 -0.012 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 886 17.322 -1.072 -4.617 1.00 0.00 H new ATOM 827 N SER A 887 15.002 1.850 -6.722 1.00 0.00 N ATOM 828 CA SER A 887 14.216 2.622 -7.664 1.00 0.00 C ATOM 829 C SER A 887 12.787 2.757 -7.155 1.00 0.00 C ATOM 830 O SER A 887 12.027 3.588 -7.647 1.00 0.00 O ATOM 831 CB SER A 887 14.242 1.939 -9.028 1.00 0.00 C ATOM 832 OG SER A 887 15.175 2.590 -9.861 1.00 0.00 O ATOM 0 H SER A 887 14.966 0.842 -6.871 1.00 0.00 H new ATOM 0 HA SER A 887 14.641 3.621 -7.765 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.510 0.888 -8.916 1.00 0.00 H new ATOM 0 HB3 SER A 887 13.251 1.969 -9.481 1.00 0.00 H new ATOM 0 HG SER A 887 15.194 2.151 -10.737 1.00 0.00 H new ATOM 838 N ALA A 888 12.424 1.936 -6.167 1.00 0.00 N ATOM 839 CA ALA A 888 11.092 1.967 -5.598 1.00 0.00 C ATOM 840 C ALA A 888 10.718 3.398 -5.240 1.00 0.00 C ATOM 841 O ALA A 888 11.481 4.325 -5.501 1.00 0.00 O ATOM 842 CB ALA A 888 11.046 1.070 -4.364 1.00 0.00 C ATOM 0 H ALA A 888 13.043 1.242 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 888 10.371 1.596 -6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 888 10.044 1.093 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.296 0.048 -4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.765 1.428 -3.627 1.00 0.00 H new ATOM 848 N THR A 889 9.539 3.577 -4.640 1.00 0.00 N ATOM 849 CA THR A 889 9.075 4.894 -4.251 1.00 0.00 C ATOM 850 C THR A 889 8.528 4.853 -2.831 1.00 0.00 C ATOM 851 O THR A 889 8.793 5.750 -2.034 1.00 0.00 O ATOM 852 CB THR A 889 8.002 5.364 -5.230 1.00 0.00 C ATOM 853 OG1 THR A 889 8.179 6.737 -5.496 1.00 0.00 O ATOM 854 CG2 THR A 889 6.622 5.137 -4.619 1.00 0.00 C ATOM 0 H THR A 889 8.893 2.820 -4.416 1.00 0.00 H new ATOM 0 HA THR A 889 9.907 5.598 -4.277 1.00 0.00 H new ATOM 0 HB THR A 889 8.085 4.800 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.855 5.472 -5.317 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.486 4.075 -4.413 1.00 0.00 H new ATOM 0 HG23 THR A 889 6.538 5.701 -3.690 1.00 0.00 H new ATOM 862 N HIS A 890 7.762 3.806 -2.514 1.00 0.00 N ATOM 863 CA HIS A 890 7.183 3.658 -1.194 1.00 0.00 C ATOM 864 C HIS A 890 7.652 2.354 -0.564 1.00 0.00 C ATOM 865 O HIS A 890 8.118 1.456 -1.263 1.00 0.00 O ATOM 866 CB HIS A 890 5.661 3.688 -1.301 1.00 0.00 C ATOM 867 CG HIS A 890 5.116 5.085 -1.424 1.00 0.00 C ATOM 868 ND1 HIS A 890 4.899 5.771 -2.597 1.00 0.00 N ATOM 869 CD2 HIS A 890 4.747 5.901 -0.389 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.407 6.980 -2.268 1.00 0.00 C ATOM 871 NE2 HIS A 890 4.297 7.106 -0.935 1.00 0.00 N ATOM 0 H HIS A 890 7.533 3.052 -3.161 1.00 0.00 H new ATOM 0 HA HIS A 890 7.508 4.482 -0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 890 5.350 3.103 -2.167 1.00 0.00 H new ATOM 0 HB3 HIS A 890 5.229 3.210 -0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 890 4.795 5.657 0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.137 7.746 -2.980 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.954 7.919 -0.424 1.00 0.00 H new ATOM 879 N VAL A 891 7.529 2.252 0.761 1.00 0.00 N ATOM 880 CA VAL A 891 7.940 1.062 1.478 1.00 0.00 C ATOM 881 C VAL A 891 7.040 0.853 2.688 1.00 0.00 C ATOM 882 O VAL A 891 6.805 1.782 3.457 1.00 0.00 O ATOM 883 CB VAL A 891 9.398 1.205 1.907 1.00 0.00 C ATOM 884 CG1 VAL A 891 10.309 0.916 0.718 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.644 2.627 2.403 1.00 0.00 C ATOM 0 H VAL A 891 7.145 2.988 1.354 1.00 0.00 H new ATOM 0 HA VAL A 891 7.850 0.192 0.828 1.00 0.00 H new ATOM 0 HB VAL A 891 9.612 0.498 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 891 11.350 1.018 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 891 10.133 -0.099 0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 891 10.096 1.623 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.685 2.730 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.430 3.334 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.993 2.834 3.253 1.00 0.00 H new ATOM 895 N LEU A 892 6.536 -0.373 2.854 1.00 0.00 N ATOM 896 CA LEU A 892 5.666 -0.697 3.967 1.00 0.00 C ATOM 897 C LEU A 892 6.495 -1.203 5.140 1.00 0.00 C ATOM 898 O LEU A 892 7.231 -2.178 5.008 1.00 0.00 O ATOM 899 CB LEU A 892 4.652 -1.750 3.529 1.00 0.00 C ATOM 900 CG LEU A 892 3.246 -1.284 3.896 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.301 -1.547 2.727 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.761 -2.049 5.124 1.00 0.00 C ATOM 0 H LEU A 892 6.722 -1.154 2.225 1.00 0.00 H new ATOM 0 HA LEU A 892 5.129 0.196 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.723 -1.914 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.869 -2.703 4.012 1.00 0.00 H new ATOM 0 HG LEU A 892 3.263 -0.217 4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.297 -1.214 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.647 -1.001 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 892 2.283 -2.614 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.757 -1.716 5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.744 -3.117 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.435 -1.861 5.959 1.00 0.00 H new ATOM 914 N GLY A 893 6.373 -0.537 6.291 1.00 0.00 N ATOM 915 CA GLY A 893 7.111 -0.926 7.476 1.00 0.00 C ATOM 916 C GLY A 893 8.205 0.090 7.772 1.00 0.00 C ATOM 917 O GLY A 893 8.086 0.881 8.705 1.00 0.00 O ATOM 0 H GLY A 893 5.767 0.274 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.434 -1.000 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 893 7.551 -1.913 7.332 1.00 0.00 H new ATOM 921 N SER A 894 9.275 0.066 6.974 1.00 0.00 N ATOM 922 CA SER A 894 10.383 0.983 7.153 1.00 0.00 C ATOM 923 C SER A 894 10.869 1.478 5.799 1.00 0.00 C ATOM 924 O SER A 894 10.177 1.324 4.794 1.00 0.00 O ATOM 925 CB SER A 894 11.508 0.279 7.907 1.00 0.00 C ATOM 926 OG SER A 894 11.174 0.191 9.274 1.00 0.00 O ATOM 0 H SER A 894 9.390 -0.585 6.197 1.00 0.00 H new ATOM 0 HA SER A 894 10.056 1.844 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 894 11.668 -0.718 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.442 0.828 7.784 1.00 0.00 H new ATOM 0 HG SER A 894 11.895 -0.262 9.758 1.00 0.00 H new ATOM 932 N ARG A 895 12.063 2.073 5.773 1.00 0.00 N ATOM 933 CA ARG A 895 12.635 2.587 4.545 1.00 0.00 C ATOM 934 C ARG A 895 14.027 2.006 4.341 1.00 0.00 C ATOM 935 O ARG A 895 14.447 1.779 3.209 1.00 0.00 O ATOM 936 CB ARG A 895 12.690 4.111 4.609 1.00 0.00 C ATOM 937 CG ARG A 895 13.423 4.541 5.877 1.00 0.00 C ATOM 938 CD ARG A 895 13.616 6.054 5.865 1.00 0.00 C ATOM 939 NE ARG A 895 13.569 6.601 7.221 1.00 0.00 N ATOM 940 CZ ARG A 895 14.645 6.661 8.017 1.00 0.00 C ATOM 941 NH1 ARG A 895 15.829 6.210 7.579 1.00 0.00 N ATOM 942 NH2 ARG A 895 14.539 7.172 9.251 1.00 0.00 N ATOM 0 H ARG A 895 12.649 2.207 6.597 1.00 0.00 H new ATOM 0 HA ARG A 895 12.013 2.294 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 895 13.201 4.504 3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.681 4.523 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.854 4.243 6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.390 4.041 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 895 14.573 6.298 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 895 12.841 6.518 5.255 1.00 0.00 H new ATOM 0 HE ARG A 895 12.679 6.952 7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 895 15.911 5.821 6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 895 16.648 6.256 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 895 13.639 7.516 9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 895 15.359 7.217 9.856 1.00 0.00 H new ATOM 956 N ASP A 896 14.742 1.766 5.442 1.00 0.00 N ATOM 957 CA ASP A 896 16.081 1.215 5.379 1.00 0.00 C ATOM 958 C ASP A 896 16.353 0.683 3.979 1.00 0.00 C ATOM 959 O ASP A 896 16.977 1.362 3.166 1.00 0.00 O ATOM 960 CB ASP A 896 16.222 0.104 6.416 1.00 0.00 C ATOM 961 CG ASP A 896 17.378 -0.823 6.066 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.512 -0.305 5.974 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.106 -2.031 5.898 1.00 0.00 O ATOM 0 H ASP A 896 14.407 1.948 6.388 1.00 0.00 H new ATOM 0 HA ASP A 896 16.811 1.994 5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.386 0.540 7.402 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.296 -0.468 6.470 1.00 0.00 H new ATOM 968 N LYS A 897 15.883 -0.534 3.698 1.00 0.00 N ATOM 969 CA LYS A 897 16.079 -1.147 2.399 1.00 0.00 C ATOM 970 C LYS A 897 16.107 -0.075 1.320 1.00 0.00 C ATOM 971 O LYS A 897 16.807 -0.215 0.320 1.00 0.00 O ATOM 972 CB LYS A 897 14.959 -2.149 2.137 1.00 0.00 C ATOM 973 CG LYS A 897 13.927 -2.064 3.258 1.00 0.00 C ATOM 974 CD LYS A 897 13.015 -0.865 3.020 1.00 0.00 C ATOM 975 CE LYS A 897 12.380 -0.438 4.340 1.00 0.00 C ATOM 976 NZ LYS A 897 10.912 -0.483 4.259 1.00 0.00 N ATOM 0 H LYS A 897 15.363 -1.110 4.360 1.00 0.00 H new ATOM 0 HA LYS A 897 17.033 -1.674 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.487 -1.940 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 897 15.366 -3.158 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.338 -2.981 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.428 -1.968 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.586 -0.039 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 897 12.240 -1.122 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.724 -1.092 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.703 0.572 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.527 -0.858 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.544 0.476 4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.627 -1.099 3.471 1.00 0.00 H new ATOM 990 N ASN A 898 15.341 1.000 1.523 1.00 0.00 N ATOM 991 CA ASN A 898 15.283 2.088 0.568 1.00 0.00 C ATOM 992 C ASN A 898 14.812 3.360 1.259 1.00 0.00 C ATOM 993 O ASN A 898 13.615 3.557 1.453 1.00 0.00 O ATOM 994 CB ASN A 898 14.341 1.712 -0.572 1.00 0.00 C ATOM 995 CG ASN A 898 14.960 2.048 -1.921 1.00 0.00 C ATOM 996 OD1 ASN A 898 16.141 1.794 -2.145 1.00 0.00 O ATOM 997 ND2 ASN A 898 14.158 2.621 -2.822 1.00 0.00 N ATOM 0 H ASN A 898 14.754 1.132 2.346 1.00 0.00 H new ATOM 0 HA ASN A 898 16.277 2.269 0.158 1.00 0.00 H new ATOM 0 HB2 ASN A 898 14.115 0.647 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 898 13.396 2.243 -0.459 1.00 0.00 H new ATOM 0 HD21 ASN A 898 14.520 2.867 -3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 898 13.184 2.812 -2.589 1.00 0.00 H new ATOM 1004 N PRO A 899 15.760 4.225 1.629 1.00 0.00 N ATOM 1005 CA PRO A 899 15.501 5.484 2.293 1.00 0.00 C ATOM 1006 C PRO A 899 14.890 6.467 1.305 1.00 0.00 C ATOM 1007 O PRO A 899 14.470 7.556 1.688 1.00 0.00 O ATOM 1008 CB PRO A 899 16.870 5.965 2.768 1.00 0.00 C ATOM 1009 CG PRO A 899 17.817 5.376 1.723 1.00 0.00 C ATOM 1010 CD PRO A 899 17.177 4.024 1.415 1.00 0.00 C ATOM 0 HA PRO A 899 14.800 5.390 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.928 7.053 2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 899 17.100 5.605 3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.882 6.005 0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.830 5.266 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 899 17.382 3.714 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.568 3.244 2.068 1.00 0.00 H new ATOM 1018 N ALA A 900 14.844 6.080 0.028 1.00 0.00 N ATOM 1019 CA ALA A 900 14.289 6.928 -1.008 1.00 0.00 C ATOM 1020 C ALA A 900 12.808 6.624 -1.185 1.00 0.00 C ATOM 1021 O ALA A 900 12.135 7.256 -1.996 1.00 0.00 O ATOM 1022 CB ALA A 900 15.047 6.699 -2.312 1.00 0.00 C ATOM 0 H ALA A 900 15.188 5.180 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 900 14.393 7.974 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.630 7.336 -3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 900 16.100 6.942 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.953 5.654 -2.609 1.00 0.00 H new ATOM 1028 N ALA A 901 12.302 5.652 -0.423 1.00 0.00 N ATOM 1029 CA ALA A 901 10.906 5.269 -0.499 1.00 0.00 C ATOM 1030 C ALA A 901 10.126 5.935 0.625 1.00 0.00 C ATOM 1031 O ALA A 901 10.584 6.919 1.202 1.00 0.00 O ATOM 1032 CB ALA A 901 10.791 3.750 -0.411 1.00 0.00 C ATOM 0 H ALA A 901 12.848 5.119 0.254 1.00 0.00 H new ATOM 0 HA ALA A 901 10.486 5.598 -1.450 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.742 3.461 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.338 3.295 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 901 11.211 3.408 0.535 1.00 0.00 H new ATOM 1038 N GLN A 902 8.944 5.398 0.934 1.00 0.00 N ATOM 1039 CA GLN A 902 8.108 5.943 1.984 1.00 0.00 C ATOM 1040 C GLN A 902 7.781 4.859 3.001 1.00 0.00 C ATOM 1041 O GLN A 902 7.384 3.756 2.630 1.00 0.00 O ATOM 1042 CB GLN A 902 6.831 6.512 1.371 1.00 0.00 C ATOM 1043 CG GLN A 902 7.020 8.000 1.089 1.00 0.00 C ATOM 1044 CD GLN A 902 7.533 8.726 2.323 1.00 0.00 C ATOM 1045 OE1 GLN A 902 8.405 9.586 2.223 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.989 8.377 3.492 1.00 0.00 N ATOM 0 H GLN A 902 8.550 4.583 0.464 1.00 0.00 H new ATOM 0 HA GLN A 902 8.639 6.745 2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.591 5.984 0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.992 6.364 2.050 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.723 8.132 0.266 1.00 0.00 H new ATOM 0 HG3 GLN A 902 6.073 8.437 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 902 6.267 7.657 3.524 1.00 0.00 H new ATOM 0 HE22 GLN A 902 7.295 8.831 4.353 1.00 0.00 H new ATOM 1055 N GLN A 903 7.950 5.174 4.287 1.00 0.00 N ATOM 1056 CA GLN A 903 7.674 4.226 5.348 1.00 0.00 C ATOM 1057 C GLN A 903 6.201 4.290 5.727 1.00 0.00 C ATOM 1058 O GLN A 903 5.856 4.760 6.809 1.00 0.00 O ATOM 1059 CB GLN A 903 8.556 4.542 6.552 1.00 0.00 C ATOM 1060 CG GLN A 903 10.024 4.427 6.153 1.00 0.00 C ATOM 1061 CD GLN A 903 10.684 5.797 6.109 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.317 6.215 7.077 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.535 6.498 4.982 1.00 0.00 N ATOM 0 H GLN A 903 8.278 6.084 4.611 1.00 0.00 H new ATOM 0 HA GLN A 903 7.897 3.215 5.006 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.345 5.547 6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 903 8.335 3.854 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.549 3.789 6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 903 10.103 3.949 5.176 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.000 6.108 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 903 10.956 7.423 4.897 1.00 0.00 H new ATOM 1072 N VAL A 904 5.332 3.814 4.832 1.00 0.00 N ATOM 1073 CA VAL A 904 3.903 3.818 5.076 1.00 0.00 C ATOM 1074 C VAL A 904 3.498 2.535 5.787 1.00 0.00 C ATOM 1075 O VAL A 904 4.307 1.620 5.928 1.00 0.00 O ATOM 1076 CB VAL A 904 3.162 3.959 3.750 1.00 0.00 C ATOM 1077 CG1 VAL A 904 4.135 4.423 2.670 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.568 2.610 3.354 1.00 0.00 C ATOM 0 H VAL A 904 5.603 3.421 3.931 1.00 0.00 H new ATOM 0 HA VAL A 904 3.641 4.662 5.715 1.00 0.00 H new ATOM 0 HB VAL A 904 2.362 4.692 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.606 4.524 1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.560 5.386 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.935 3.691 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 904 2.038 2.710 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.368 1.877 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.873 2.278 4.125 1.00 0.00 H new ATOM 1088 N SER A 905 2.242 2.469 6.235 1.00 0.00 N ATOM 1089 CA SER A 905 1.739 1.299 6.926 1.00 0.00 C ATOM 1090 C SER A 905 0.444 0.832 6.275 1.00 0.00 C ATOM 1091 O SER A 905 0.071 1.320 5.210 1.00 0.00 O ATOM 1092 CB SER A 905 1.513 1.637 8.397 1.00 0.00 C ATOM 1093 OG SER A 905 2.134 0.660 9.203 1.00 0.00 O ATOM 0 H SER A 905 1.560 3.219 6.127 1.00 0.00 H new ATOM 0 HA SER A 905 2.468 0.491 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.921 2.623 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.445 1.677 8.612 1.00 0.00 H new ATOM 0 HG SER A 905 1.991 0.877 10.148 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.241 -0.115 6.919 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.490 -0.678 6.453 1.00 0.00 C ATOM 1101 C PRO A 906 -2.605 0.344 6.625 1.00 0.00 C ATOM 1102 O PRO A 906 -3.588 0.323 5.887 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.725 -1.898 7.341 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.047 -1.499 8.651 1.00 0.00 C ATOM 1105 CD PRO A 906 0.169 -0.711 8.172 1.00 0.00 C ATOM 0 HA PRO A 906 -1.466 -0.950 5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.787 -2.098 7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.284 -2.799 6.915 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.701 -0.893 9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.759 -2.370 9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.456 0.051 8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.033 -1.362 8.036 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.452 1.240 7.602 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.446 2.262 7.862 1.00 0.00 C ATOM 1115 C GLU A 907 -3.434 3.295 6.745 1.00 0.00 C ATOM 1116 O GLU A 907 -4.466 3.883 6.428 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.158 2.919 9.209 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.880 2.153 10.314 1.00 0.00 C ATOM 1119 CD GLU A 907 -3.070 0.943 10.756 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -3.022 -0.026 9.968 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -2.513 1.010 11.873 1.00 0.00 O ATOM 0 H GLU A 907 -1.644 1.272 8.223 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.436 1.808 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.085 2.928 9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.488 3.958 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.052 2.811 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.858 1.830 9.958 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.261 3.516 6.146 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.126 4.474 5.067 1.00 0.00 C ATOM 1130 C TRP A 908 -2.881 3.984 3.840 1.00 0.00 C ATOM 1131 O TRP A 908 -3.624 4.742 3.221 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.647 4.673 4.748 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.370 5.535 3.558 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.315 6.885 3.568 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.109 5.136 2.178 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.040 7.345 2.298 1.00 0.00 N ATOM 1137 CE2 TRP A 908 0.097 6.307 1.400 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.025 3.904 1.505 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.370 6.260 0.030 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 0.249 3.846 0.131 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.446 5.019 -0.608 1.00 0.00 C ATOM 0 H TRP A 908 -1.395 3.039 6.397 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.552 5.430 5.371 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.159 5.112 5.618 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.191 3.697 4.585 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.464 7.508 4.438 1.00 0.00 H new ATOM 0 HE1 TRP A 908 0.051 8.331 2.053 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.174 2.987 2.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.520 7.172 -0.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 0.309 2.887 -0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.656 4.965 -1.666 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.690 2.710 3.490 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.352 2.122 2.343 1.00 0.00 C ATOM 1154 C ILE A 909 -4.858 2.306 2.468 1.00 0.00 C ATOM 1155 O ILE A 909 -5.507 2.775 1.536 1.00 0.00 O ATOM 1156 CB ILE A 909 -2.992 0.642 2.251 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -1.767 0.470 1.358 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.167 -0.131 1.658 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -0.690 -0.301 2.116 1.00 0.00 C ATOM 0 H ILE A 909 -2.077 2.069 3.994 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.020 2.619 1.431 1.00 0.00 H new ATOM 0 HB ILE A 909 -2.771 0.259 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.039 -0.064 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.386 1.445 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -3.911 -1.188 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.042 -0.009 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.389 0.252 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 909 0.186 -0.424 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.411 0.251 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.075 -1.281 2.398 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.414 1.934 3.624 1.00 0.00 N ATOM 1172 CA TRP A 910 -6.838 2.063 3.859 1.00 0.00 C ATOM 1173 C TRP A 910 -7.252 3.524 3.747 1.00 0.00 C ATOM 1174 O TRP A 910 -8.048 3.881 2.882 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.176 1.510 5.241 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.653 0.136 5.514 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -5.857 -0.204 6.551 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.870 -1.094 4.758 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.569 -1.551 6.490 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -6.169 -2.150 5.401 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.587 -1.426 3.595 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -6.179 -3.462 4.919 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -7.603 -2.739 3.102 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.902 -3.757 3.760 1.00 0.00 C ATOM 0 H TRP A 910 -4.891 1.542 4.407 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.386 1.494 3.109 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -6.780 2.190 5.995 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.260 1.500 5.357 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.501 0.475 7.311 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -4.985 -2.044 7.166 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -8.135 -0.656 3.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.635 -4.238 5.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -8.161 -2.967 2.206 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.920 -4.765 3.374 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.708 4.368 4.627 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.023 5.783 4.624 1.00 0.00 C ATOM 1197 C ALA A 911 -6.803 6.356 3.231 1.00 0.00 C ATOM 1198 O ALA A 911 -7.503 7.280 2.821 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.148 6.500 5.648 1.00 0.00 C ATOM 0 H ALA A 911 -6.046 4.086 5.350 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.069 5.928 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.384 7.564 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.336 6.088 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.098 6.361 5.390 1.00 0.00 H new ATOM 1205 N CYS A 912 -5.828 5.806 2.505 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.518 6.260 1.164 1.00 0.00 C ATOM 1207 C CYS A 912 -6.634 5.846 0.215 1.00 0.00 C ATOM 1208 O CYS A 912 -7.466 6.668 -0.161 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.183 5.667 0.722 1.00 0.00 C ATOM 1210 SG CYS A 912 -2.856 6.452 1.671 1.00 0.00 S ATOM 0 H CYS A 912 -5.240 5.040 2.834 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.437 7.347 1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.176 4.589 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.032 5.830 -0.345 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.707 6.143 1.147 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.649 4.568 -0.173 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.660 4.052 -1.073 1.00 0.00 C ATOM 1218 C ILE A 913 -9.026 4.599 -0.681 1.00 0.00 C ATOM 1219 O ILE A 913 -9.827 4.950 -1.544 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.653 2.527 -1.025 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -8.863 1.988 -1.783 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -7.715 2.064 0.428 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.812 0.463 -1.803 1.00 0.00 C ATOM 0 H ILE A 913 -5.964 3.875 0.129 1.00 0.00 H new ATOM 0 HA ILE A 913 -7.442 4.370 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.739 2.153 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -9.784 2.326 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -8.870 2.376 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -7.710 0.975 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -6.851 2.449 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -8.629 2.438 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.676 0.077 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.898 0.136 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -8.826 0.085 -0.781 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.289 4.670 0.626 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.554 5.171 1.125 1.00 0.00 C ATOM 1237 C ARG A 914 -10.661 6.665 0.851 1.00 0.00 C ATOM 1238 O ARG A 914 -11.758 7.188 0.674 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.658 4.887 2.621 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.112 5.022 3.064 1.00 0.00 C ATOM 1241 CD ARG A 914 -12.181 5.864 4.335 1.00 0.00 C ATOM 1242 NE ARG A 914 -12.616 5.059 5.476 1.00 0.00 N ATOM 1243 CZ ARG A 914 -12.400 5.425 6.747 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -11.762 6.572 7.014 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -12.821 4.643 7.750 1.00 0.00 N ATOM 0 H ARG A 914 -8.634 4.383 1.354 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.376 4.668 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.292 3.883 2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.031 5.582 3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.702 5.487 2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.541 4.036 3.244 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -11.202 6.296 4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -12.871 6.695 4.188 1.00 0.00 H new ATOM 0 HE ARG A 914 -13.105 4.182 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -11.441 7.167 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -11.597 6.851 7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -13.306 3.769 7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -12.657 4.922 8.717 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.516 7.351 0.818 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.489 8.777 0.566 1.00 0.00 C ATOM 1261 C LYS A 915 -9.424 9.038 -0.932 1.00 0.00 C ATOM 1262 O LYS A 915 -9.604 10.170 -1.377 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.286 9.395 1.274 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.588 9.529 2.764 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.538 10.702 2.988 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.167 10.589 4.374 1.00 0.00 C ATOM 1267 NZ LYS A 915 -10.358 11.918 4.976 1.00 0.00 N ATOM 0 H LYS A 915 -8.598 6.932 0.964 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.399 9.234 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.403 8.773 1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.062 10.373 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.035 8.609 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.664 9.684 3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -8.997 11.644 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.315 10.706 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.127 10.077 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -9.530 9.982 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -10.787 11.814 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -9.438 12.394 5.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -10.985 12.486 4.371 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.165 7.985 -1.712 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.077 8.104 -3.153 1.00 0.00 C ATOM 1283 C ARG A 916 -7.860 8.939 -3.528 1.00 0.00 C ATOM 1284 O ARG A 916 -7.574 9.127 -4.708 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.355 8.741 -3.689 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.402 7.657 -3.928 1.00 0.00 C ATOM 1287 CD ARG A 916 -11.854 7.082 -2.589 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.501 8.107 -1.768 1.00 0.00 N ATOM 1289 CZ ARG A 916 -13.424 7.818 -0.841 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -13.789 6.546 -0.633 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -13.981 8.802 -0.121 1.00 0.00 N ATOM 0 H ARG A 916 -9.013 7.040 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 916 -8.966 7.115 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -10.733 9.476 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.147 9.272 -4.618 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -12.255 8.073 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -10.987 6.867 -4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -12.546 6.257 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -10.995 6.673 -2.056 1.00 0.00 H new ATOM 0 HE ARG A 916 -12.238 9.083 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -13.364 5.797 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -14.492 6.326 0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -13.702 9.770 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -14.684 8.582 0.585 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.143 9.438 -2.519 1.00 0.00 N ATOM 1306 CA ARG A 917 -5.964 10.249 -2.746 1.00 0.00 C ATOM 1307 C ARG A 917 -4.910 9.932 -1.695 1.00 0.00 C ATOM 1308 O ARG A 917 -5.129 10.157 -0.507 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.347 11.726 -2.700 1.00 0.00 C ATOM 1310 CG ARG A 917 -7.706 11.878 -2.024 1.00 0.00 C ATOM 1311 CD ARG A 917 -8.808 11.813 -3.078 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.058 12.377 -2.566 1.00 0.00 N ATOM 1313 CZ ARG A 917 -11.085 12.706 -3.362 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -10.993 12.521 -4.686 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -12.204 13.220 -2.833 1.00 0.00 N ATOM 0 H ARG A 917 -7.367 9.289 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.548 10.026 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.592 12.292 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.383 12.135 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -7.847 11.089 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -7.754 12.827 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -8.497 12.359 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -8.968 10.778 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 917 -10.151 12.526 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.141 12.130 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -11.775 12.771 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.274 13.361 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -12.986 13.471 -3.438 1.00 0.00 H new ATOM 1329 N LEU A 918 -3.763 9.410 -2.135 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.682 9.066 -1.233 1.00 0.00 C ATOM 1331 C LEU A 918 -2.629 10.066 -0.086 1.00 0.00 C ATOM 1332 O LEU A 918 -2.514 11.268 -0.313 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.364 9.053 -2.001 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.194 7.707 -2.698 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.327 6.772 -2.283 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.230 7.910 -4.210 1.00 0.00 C ATOM 0 H LEU A 918 -3.566 9.219 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 918 -2.853 8.074 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.351 9.859 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.532 9.229 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.238 7.268 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.206 5.810 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.302 6.627 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.283 7.210 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.109 6.949 -4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.186 8.349 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.421 8.578 -4.507 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.713 9.565 1.148 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.674 10.414 2.322 1.00 0.00 C ATOM 1350 C VAL A 919 -1.258 10.460 2.877 1.00 0.00 C ATOM 1351 O VAL A 919 -0.315 10.035 2.213 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.647 9.878 3.369 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -4.815 9.187 2.671 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -2.927 8.877 4.268 1.00 0.00 C ATOM 0 H VAL A 919 -2.809 8.570 1.352 1.00 0.00 H new ATOM 0 HA VAL A 919 -2.972 11.427 2.053 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.022 10.704 3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.510 8.804 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.330 9.902 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.440 8.361 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.622 8.494 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.552 8.051 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.093 9.370 4.767 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.110 10.979 4.098 1.00 0.00 N ATOM 1365 CA ALA A 920 0.189 11.079 4.734 1.00 0.00 C ATOM 1366 C ALA A 920 0.715 9.687 5.053 1.00 0.00 C ATOM 1367 O ALA A 920 0.144 8.979 5.879 1.00 0.00 O ATOM 1368 CB ALA A 920 0.068 11.915 6.005 1.00 0.00 C ATOM 0 H ALA A 920 -1.882 11.336 4.661 1.00 0.00 H new ATOM 0 HA ALA A 920 0.893 11.566 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 920 1.044 11.991 6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.291 12.913 5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -0.636 11.439 6.688 1.00 0.00 H new ATOM 1374 N PRO A 921 1.808 9.295 4.393 1.00 0.00 N ATOM 1375 CA PRO A 921 2.448 8.009 4.567 1.00 0.00 C ATOM 1376 C PRO A 921 3.160 7.971 5.912 1.00 0.00 C ATOM 1377 O PRO A 921 3.911 8.884 6.245 1.00 0.00 O ATOM 1378 CB PRO A 921 3.447 7.910 3.416 1.00 0.00 C ATOM 1379 CG PRO A 921 3.822 9.370 3.168 1.00 0.00 C ATOM 1380 CD PRO A 921 2.505 10.101 3.415 1.00 0.00 C ATOM 0 HA PRO A 921 1.742 7.179 4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 921 4.316 7.309 3.685 1.00 0.00 H new ATOM 0 HB3 PRO A 921 3.003 7.451 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.606 9.708 3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 921 4.188 9.527 2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.678 11.111 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.927 10.194 2.496 1.00 0.00 H new ATOM 1388 N CYS A 922 2.919 6.909 6.685 1.00 0.00 N ATOM 1389 CA CYS A 922 3.533 6.753 7.989 1.00 0.00 C ATOM 1390 C CYS A 922 2.599 7.296 9.061 1.00 0.00 C ATOM 1391 O CYS A 922 1.898 6.532 9.719 1.00 0.00 O ATOM 1392 CB CYS A 922 4.871 7.486 8.012 1.00 0.00 C ATOM 1393 SG CYS A 922 5.893 6.788 9.333 1.00 0.00 S ATOM 0 H CYS A 922 2.298 6.145 6.420 1.00 0.00 H new ATOM 0 HA CYS A 922 3.712 5.697 8.190 1.00 0.00 H new ATOM 0 HB2 CYS A 922 5.374 7.384 7.051 1.00 0.00 H new ATOM 0 HB3 CYS A 922 4.715 8.552 8.178 1.00 0.00 H new ATOM 0 HG CYS A 922 6.383 5.648 8.946 1.00 0.00 H new