USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 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 893 HIS HD1 : A 893 HIS ND1 : A 941 ZNZN :(H bumps) USER MOD Set 1.1: A 853 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 866 GLN : amide:sc= 0.608 K(o=0.61,f=-2.9!) USER MOD Set 2.1: A 857 TYR OH : rot -137:sc= 0.548 USER MOD Set 2.2: A 874 ASN : amide:sc= 0.344 X(o=0.89,f=1) USER MOD Set 3.1: A 851 SER OG : rot 180:sc= 0.0208 USER MOD Set 3.2: A 852 HIS : no HD1:sc= 0 X(o=0.021,f=0.013) USER MOD Single : A 855 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 865 ASN : amide:sc= -0.781 K(o=-0.78,f=-2.7!) USER MOD Single : A 875 LYS NZ :NH3+ -154:sc= -0.902 (180deg=-2.14!) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 882 MET CE :methyl -114:sc= -0.121 (180deg=-1.15) USER MOD Single : A 892 TYR OH : rot 84:sc= 1.34 USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 158:sc= -0.232 (180deg=-0.851) USER MOD Single : A 908 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.41) USER MOD Single : A 913 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 917 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 919 LYS NZ :NH3+ -162:sc= -0.0345 (180deg=-0.372) USER MOD Single : A 920 LYS NZ :NH3+ -161:sc= -0.108 (180deg=-0.411) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 924 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 850 14.770 10.247 2.217 1.00 0.00 N ATOM 2 CA GLY A 850 15.893 10.845 2.957 1.00 0.00 C ATOM 3 C GLY A 850 16.443 9.848 3.937 1.00 0.00 C ATOM 4 O GLY A 850 16.726 8.704 3.565 1.00 0.00 O ATOM 0 HA2 GLY A 850 16.674 11.156 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 850 15.559 11.740 3.483 1.00 0.00 H new ATOM 10 N SER A 851 16.598 10.251 5.182 1.00 0.00 N ATOM 11 CA SER A 851 16.987 9.334 6.228 1.00 0.00 C ATOM 12 C SER A 851 15.843 8.342 6.424 1.00 0.00 C ATOM 13 O SER A 851 16.040 7.131 6.556 1.00 0.00 O ATOM 14 CB SER A 851 17.277 10.127 7.492 1.00 0.00 C ATOM 15 OG SER A 851 16.232 11.067 7.734 1.00 0.00 O ATOM 0 H SER A 851 16.459 11.213 5.492 1.00 0.00 H new ATOM 0 HA SER A 851 17.890 8.781 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 851 17.371 9.450 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 851 18.229 10.648 7.393 1.00 0.00 H new ATOM 0 HG SER A 851 16.428 11.571 8.551 1.00 0.00 H new ATOM 21 N HIS A 852 14.650 8.872 6.396 1.00 0.00 N ATOM 22 CA HIS A 852 13.465 8.082 6.400 1.00 0.00 C ATOM 23 C HIS A 852 12.914 8.134 5.009 1.00 0.00 C ATOM 24 O HIS A 852 13.263 9.062 4.245 1.00 0.00 O ATOM 25 CB HIS A 852 12.443 8.590 7.414 1.00 0.00 C ATOM 26 CG HIS A 852 12.891 8.475 8.840 1.00 0.00 C ATOM 27 ND1 HIS A 852 12.408 7.491 9.665 1.00 0.00 N ATOM 28 CD2 HIS A 852 13.750 9.252 9.534 1.00 0.00 C ATOM 29 CE1 HIS A 852 12.982 7.692 10.839 1.00 0.00 C ATOM 30 NE2 HIS A 852 13.800 8.746 10.803 1.00 0.00 N ATOM 0 H HIS A 852 14.480 9.877 6.370 1.00 0.00 H new ATOM 0 HA HIS A 852 13.693 7.058 6.697 1.00 0.00 H new ATOM 0 HB2 HIS A 852 12.219 9.635 7.197 1.00 0.00 H new ATOM 0 HB3 HIS A 852 11.515 8.033 7.289 1.00 0.00 H new ATOM 0 HD2 HIS A 852 14.292 10.107 9.159 1.00 0.00 H new ATOM 0 HE1 HIS A 852 12.811 7.082 11.714 1.00 0.00 H new ATOM 0 HE2 HIS A 852 14.358 9.106 11.577 1.00 0.00 H new ATOM 38 N MET A 853 12.100 7.153 4.662 1.00 0.00 N ATOM 39 CA MET A 853 11.553 6.991 3.317 1.00 0.00 C ATOM 40 C MET A 853 12.670 6.605 2.357 1.00 0.00 C ATOM 41 O MET A 853 13.839 6.465 2.760 1.00 0.00 O ATOM 42 CB MET A 853 10.803 8.254 2.817 1.00 0.00 C ATOM 43 CG MET A 853 9.592 8.636 3.648 1.00 0.00 C ATOM 44 SD MET A 853 8.807 10.148 3.056 1.00 0.00 S ATOM 45 CE MET A 853 7.460 10.305 4.230 1.00 0.00 C ATOM 0 H MET A 853 11.792 6.432 5.314 1.00 0.00 H new ATOM 0 HA MET A 853 10.811 6.194 3.355 1.00 0.00 H new ATOM 0 HB2 MET A 853 11.499 9.093 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 853 10.484 8.088 1.788 1.00 0.00 H new ATOM 0 HG2 MET A 853 8.868 7.821 3.628 1.00 0.00 H new ATOM 0 HG3 MET A 853 9.894 8.768 4.687 1.00 0.00 H new ATOM 0 HE1 MET A 853 6.877 11.196 3.998 1.00 0.00 H new ATOM 0 HE2 MET A 853 6.819 9.426 4.168 1.00 0.00 H new ATOM 0 HE3 MET A 853 7.864 10.388 5.239 1.00 0.00 H new ATOM 55 N ALA A 854 12.335 6.408 1.131 1.00 0.00 N ATOM 56 CA ALA A 854 13.306 6.047 0.140 1.00 0.00 C ATOM 57 C ALA A 854 13.893 7.314 -0.503 1.00 0.00 C ATOM 58 O ALA A 854 13.763 8.419 0.048 1.00 0.00 O ATOM 59 CB ALA A 854 12.644 5.152 -0.887 1.00 0.00 C ATOM 0 H ALA A 854 11.381 6.491 0.779 1.00 0.00 H new ATOM 0 HA ALA A 854 14.131 5.501 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 854 13.372 4.870 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 854 12.265 4.255 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 854 11.818 5.686 -1.356 1.00 0.00 H new ATOM 65 N MET A 855 14.558 7.161 -1.648 1.00 0.00 N ATOM 66 CA MET A 855 15.109 8.302 -2.383 1.00 0.00 C ATOM 67 C MET A 855 13.989 9.078 -3.027 1.00 0.00 C ATOM 68 O MET A 855 14.131 10.273 -3.338 1.00 0.00 O ATOM 69 CB MET A 855 16.122 7.855 -3.450 1.00 0.00 C ATOM 70 CG MET A 855 17.442 7.353 -2.889 1.00 0.00 C ATOM 71 SD MET A 855 18.366 8.659 -2.045 1.00 0.00 S ATOM 72 CE MET A 855 19.811 7.745 -1.491 1.00 0.00 C ATOM 0 H MET A 855 14.729 6.257 -2.088 1.00 0.00 H new ATOM 0 HA MET A 855 15.637 8.938 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 855 15.673 7.065 -4.052 1.00 0.00 H new ATOM 0 HB3 MET A 855 16.320 8.692 -4.119 1.00 0.00 H new ATOM 0 HG2 MET A 855 17.252 6.536 -2.192 1.00 0.00 H new ATOM 0 HG3 MET A 855 18.048 6.947 -3.699 1.00 0.00 H new ATOM 0 HE1 MET A 855 20.480 8.415 -0.951 1.00 0.00 H new ATOM 0 HE2 MET A 855 19.499 6.935 -0.832 1.00 0.00 H new ATOM 0 HE3 MET A 855 20.332 7.330 -2.354 1.00 0.00 H new ATOM 82 N ALA A 856 12.881 8.392 -3.233 1.00 0.00 N ATOM 83 CA ALA A 856 11.690 8.962 -3.784 1.00 0.00 C ATOM 84 C ALA A 856 10.549 7.984 -3.653 1.00 0.00 C ATOM 85 O ALA A 856 10.556 7.158 -2.731 1.00 0.00 O ATOM 86 CB ALA A 856 11.878 9.347 -5.213 1.00 0.00 C ATOM 0 H ALA A 856 12.793 7.400 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 856 11.458 9.869 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 856 10.953 9.776 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 856 12.679 10.082 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 856 12.139 8.464 -5.796 1.00 0.00 H new ATOM 92 N TYR A 857 9.588 8.066 -4.601 1.00 0.00 N ATOM 93 CA TYR A 857 8.317 7.339 -4.564 1.00 0.00 C ATOM 94 C TYR A 857 7.412 8.034 -3.600 1.00 0.00 C ATOM 95 O TYR A 857 6.404 7.503 -3.115 1.00 0.00 O ATOM 96 CB TYR A 857 8.475 5.819 -4.326 1.00 0.00 C ATOM 97 CG TYR A 857 8.909 5.073 -5.579 1.00 0.00 C ATOM 98 CD1 TYR A 857 9.996 5.495 -6.333 1.00 0.00 C ATOM 99 CD2 TYR A 857 8.198 3.981 -6.033 1.00 0.00 C ATOM 100 CE1 TYR A 857 10.358 4.846 -7.487 1.00 0.00 C ATOM 101 CE2 TYR A 857 8.549 3.329 -7.191 1.00 0.00 C ATOM 102 CZ TYR A 857 9.632 3.767 -7.915 1.00 0.00 C ATOM 103 OH TYR A 857 9.983 3.130 -9.078 1.00 0.00 O ATOM 0 H TYR A 857 9.685 8.655 -5.428 1.00 0.00 H new ATOM 0 HA TYR A 857 7.853 7.366 -5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.208 5.653 -3.536 1.00 0.00 H new ATOM 0 HB3 TYR A 857 7.528 5.410 -3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 857 10.568 6.351 -6.005 1.00 0.00 H new ATOM 0 HD2 TYR A 857 7.348 3.631 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 857 11.212 5.185 -8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 857 7.977 2.478 -7.530 1.00 0.00 H new ATOM 0 HH TYR A 857 9.177 2.931 -9.598 1.00 0.00 H new ATOM 113 N VAL A 858 7.767 9.287 -3.424 1.00 0.00 N ATOM 114 CA VAL A 858 7.118 10.205 -2.595 1.00 0.00 C ATOM 115 C VAL A 858 7.222 11.571 -3.286 1.00 0.00 C ATOM 116 O VAL A 858 8.305 12.147 -3.461 1.00 0.00 O ATOM 117 CB VAL A 858 7.739 10.190 -1.154 1.00 0.00 C ATOM 118 CG1 VAL A 858 9.145 10.793 -1.040 1.00 0.00 C ATOM 119 CG2 VAL A 858 6.780 10.712 -0.096 1.00 0.00 C ATOM 0 H VAL A 858 8.573 9.691 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 858 6.067 9.952 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 858 7.895 9.132 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 858 9.483 10.734 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 858 9.832 10.238 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 858 9.120 11.836 -1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 858 7.263 10.679 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 858 6.505 11.740 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 858 5.884 10.092 -0.079 1.00 0.00 H new ATOM 129 N ILE A 859 6.135 12.009 -3.784 1.00 0.00 N ATOM 130 CA ILE A 859 6.089 13.246 -4.516 1.00 0.00 C ATOM 131 C ILE A 859 5.172 14.171 -3.750 1.00 0.00 C ATOM 132 O ILE A 859 4.340 13.710 -2.991 1.00 0.00 O ATOM 133 CB ILE A 859 5.527 13.023 -5.969 1.00 0.00 C ATOM 134 CG1 ILE A 859 6.244 11.835 -6.651 1.00 0.00 C ATOM 135 CG2 ILE A 859 5.693 14.289 -6.816 1.00 0.00 C ATOM 136 CD1 ILE A 859 5.687 11.469 -8.014 1.00 0.00 C ATOM 0 H ILE A 859 5.238 11.531 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 859 7.090 13.665 -4.616 1.00 0.00 H new ATOM 0 HB ILE A 859 4.464 12.795 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 859 7.302 12.076 -6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 859 6.179 10.964 -5.999 1.00 0.00 H new ATOM 0 HG21 ILE A 859 5.298 14.112 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 859 5.149 15.112 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 859 6.750 14.545 -6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 859 6.246 10.627 -8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 859 4.637 11.194 -7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 859 5.777 12.323 -8.685 1.00 0.00 H new ATOM 148 N ARG A 860 5.334 15.440 -3.881 1.00 0.00 N ATOM 149 CA ARG A 860 4.433 16.328 -3.239 1.00 0.00 C ATOM 150 C ARG A 860 3.436 16.833 -4.237 1.00 0.00 C ATOM 151 O ARG A 860 3.773 17.110 -5.389 1.00 0.00 O ATOM 152 CB ARG A 860 5.144 17.476 -2.549 1.00 0.00 C ATOM 153 CG ARG A 860 6.070 17.046 -1.425 1.00 0.00 C ATOM 154 CD ARG A 860 6.700 18.252 -0.767 1.00 0.00 C ATOM 155 NE ARG A 860 7.404 19.101 -1.734 1.00 0.00 N ATOM 156 CZ ARG A 860 7.313 20.438 -1.779 1.00 0.00 C ATOM 157 NH1 ARG A 860 6.628 21.097 -0.830 1.00 0.00 N ATOM 158 NH2 ARG A 860 7.940 21.119 -2.734 1.00 0.00 N ATOM 0 H ARG A 860 6.076 15.884 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 860 3.915 15.775 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 860 5.722 18.029 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 860 4.398 18.163 -2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 860 5.512 16.471 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 860 6.848 16.391 -1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 860 5.928 18.836 -0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 860 7.399 17.922 0.002 1.00 0.00 H new ATOM 0 HE ARG A 860 8.004 18.643 -2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 860 6.177 20.580 -0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 860 6.559 22.114 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 860 8.492 20.624 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 860 7.869 22.136 -2.766 1.00 0.00 H new ATOM 172 N ASP A 861 2.221 16.876 -3.820 1.00 0.00 N ATOM 173 CA ASP A 861 1.129 17.393 -4.616 1.00 0.00 C ATOM 174 C ASP A 861 1.176 18.928 -4.581 1.00 0.00 C ATOM 175 O ASP A 861 2.032 19.503 -3.894 1.00 0.00 O ATOM 176 CB ASP A 861 -0.200 16.863 -4.047 1.00 0.00 C ATOM 177 CG ASP A 861 -1.408 17.293 -4.829 1.00 0.00 C ATOM 178 OD1 ASP A 861 -1.651 16.746 -5.906 1.00 0.00 O ATOM 179 OD2 ASP A 861 -2.082 18.244 -4.399 1.00 0.00 O ATOM 0 H ASP A 861 1.936 16.549 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 861 1.215 17.066 -5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -0.165 15.774 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -0.305 17.204 -3.017 1.00 0.00 H new ATOM 184 N GLU A 862 0.264 19.578 -5.263 1.00 0.00 N ATOM 185 CA GLU A 862 0.222 21.021 -5.316 1.00 0.00 C ATOM 186 C GLU A 862 -0.228 21.586 -3.973 1.00 0.00 C ATOM 187 O GLU A 862 0.177 22.676 -3.579 1.00 0.00 O ATOM 188 CB GLU A 862 -0.683 21.510 -6.446 1.00 0.00 C ATOM 189 CG GLU A 862 -2.115 21.018 -6.373 1.00 0.00 C ATOM 190 CD GLU A 862 -2.978 21.648 -7.421 1.00 0.00 C ATOM 191 OE1 GLU A 862 -3.484 22.776 -7.194 1.00 0.00 O ATOM 192 OE2 GLU A 862 -3.170 21.044 -8.492 1.00 0.00 O ATOM 0 H GLU A 862 -0.473 19.120 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 862 1.229 21.383 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -0.688 22.600 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -0.254 21.196 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -2.133 19.935 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -2.524 21.237 -5.387 1.00 0.00 H new ATOM 199 N TRP A 863 -1.048 20.825 -3.255 1.00 0.00 N ATOM 200 CA TRP A 863 -1.471 21.235 -1.927 1.00 0.00 C ATOM 201 C TRP A 863 -0.362 20.914 -0.912 1.00 0.00 C ATOM 202 O TRP A 863 -0.362 21.393 0.224 1.00 0.00 O ATOM 203 CB TRP A 863 -2.794 20.547 -1.538 1.00 0.00 C ATOM 204 CG TRP A 863 -3.361 21.062 -0.247 1.00 0.00 C ATOM 205 CD1 TRP A 863 -3.416 20.413 0.950 1.00 0.00 C ATOM 206 CD2 TRP A 863 -3.917 22.361 -0.021 1.00 0.00 C ATOM 207 NE1 TRP A 863 -3.983 21.228 1.899 1.00 0.00 N ATOM 208 CE2 TRP A 863 -4.299 22.427 1.327 1.00 0.00 C ATOM 209 CE3 TRP A 863 -4.134 23.465 -0.834 1.00 0.00 C ATOM 210 CZ2 TRP A 863 -4.881 23.560 1.880 1.00 0.00 C ATOM 211 CZ3 TRP A 863 -4.711 24.586 -0.285 1.00 0.00 C ATOM 212 CH2 TRP A 863 -5.079 24.627 1.060 1.00 0.00 C ATOM 0 H TRP A 863 -1.427 19.932 -3.568 1.00 0.00 H new ATOM 0 HA TRP A 863 -1.648 22.311 -1.925 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -3.523 20.696 -2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -2.628 19.473 -1.454 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -3.066 19.407 1.126 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -4.143 20.978 2.875 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -3.855 23.444 -1.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -5.166 23.593 2.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -4.883 25.452 -0.907 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -5.530 25.524 1.458 1.00 0.00 H new ATOM 223 N GLY A 864 0.618 20.157 -1.358 1.00 0.00 N ATOM 224 CA GLY A 864 1.697 19.753 -0.488 1.00 0.00 C ATOM 225 C GLY A 864 1.413 18.420 0.150 1.00 0.00 C ATOM 226 O GLY A 864 2.001 18.068 1.164 1.00 0.00 O ATOM 0 H GLY A 864 0.688 19.811 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 864 2.625 19.696 -1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 864 1.844 20.506 0.287 1.00 0.00 H new ATOM 230 N ASN A 865 0.486 17.698 -0.441 1.00 0.00 N ATOM 231 CA ASN A 865 0.099 16.366 0.026 1.00 0.00 C ATOM 232 C ASN A 865 1.123 15.372 -0.435 1.00 0.00 C ATOM 233 O ASN A 865 1.822 15.620 -1.431 1.00 0.00 O ATOM 234 CB ASN A 865 -1.279 15.968 -0.536 1.00 0.00 C ATOM 235 CG ASN A 865 -2.405 16.866 -0.065 1.00 0.00 C ATOM 236 OD1 ASN A 865 -2.377 17.388 1.048 1.00 0.00 O ATOM 237 ND2 ASN A 865 -3.382 17.072 -0.905 1.00 0.00 N ATOM 0 H ASN A 865 -0.029 18.012 -1.264 1.00 0.00 H new ATOM 0 HA ASN A 865 0.041 16.378 1.114 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -1.239 15.990 -1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -1.498 14.941 -0.246 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -4.156 17.683 -0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -3.371 16.622 -1.820 1.00 0.00 H new ATOM 244 N GLN A 866 1.244 14.276 0.255 1.00 0.00 N ATOM 245 CA GLN A 866 2.176 13.267 -0.147 1.00 0.00 C ATOM 246 C GLN A 866 1.571 12.360 -1.169 1.00 0.00 C ATOM 247 O GLN A 866 0.548 11.708 -0.941 1.00 0.00 O ATOM 248 CB GLN A 866 2.706 12.455 1.015 1.00 0.00 C ATOM 249 CG GLN A 866 3.560 13.234 1.970 1.00 0.00 C ATOM 250 CD GLN A 866 3.987 12.412 3.171 1.00 0.00 C ATOM 251 OE1 GLN A 866 4.149 11.185 3.093 1.00 0.00 O ATOM 252 NE2 GLN A 866 4.159 13.060 4.280 1.00 0.00 N ATOM 0 H GLN A 866 0.710 14.059 1.097 1.00 0.00 H new ATOM 0 HA GLN A 866 3.024 13.794 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 866 1.864 12.031 1.561 1.00 0.00 H new ATOM 0 HB3 GLN A 866 3.287 11.619 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 866 4.446 13.596 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 866 3.010 14.111 2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 866 4.017 14.070 4.308 1.00 0.00 H new ATOM 0 HE22 GLN A 866 4.436 12.560 5.125 1.00 0.00 H new ATOM 261 N ILE A 867 2.173 12.360 -2.289 1.00 0.00 N ATOM 262 CA ILE A 867 1.827 11.486 -3.340 1.00 0.00 C ATOM 263 C ILE A 867 2.669 10.268 -3.176 1.00 0.00 C ATOM 264 O ILE A 867 3.906 10.323 -3.280 1.00 0.00 O ATOM 265 CB ILE A 867 2.107 12.098 -4.717 1.00 0.00 C ATOM 266 CG1 ILE A 867 1.220 13.312 -4.991 1.00 0.00 C ATOM 267 CG2 ILE A 867 1.966 11.056 -5.819 1.00 0.00 C ATOM 268 CD1 ILE A 867 -0.259 13.003 -5.044 1.00 0.00 C ATOM 0 H ILE A 867 2.946 12.987 -2.511 1.00 0.00 H new ATOM 0 HA ILE A 867 0.760 11.269 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 867 3.140 12.447 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 867 1.396 14.058 -4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 867 1.520 13.760 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 867 2.170 11.518 -6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 867 2.675 10.246 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 867 0.952 10.657 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -0.815 13.919 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -0.452 12.282 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -0.578 12.585 -4.089 1.00 0.00 H new ATOM 280 N TRP A 868 2.032 9.211 -2.901 1.00 0.00 N ATOM 281 CA TRP A 868 2.699 7.976 -2.671 1.00 0.00 C ATOM 282 C TRP A 868 2.613 7.145 -3.910 1.00 0.00 C ATOM 283 O TRP A 868 1.641 7.255 -4.675 1.00 0.00 O ATOM 284 CB TRP A 868 2.062 7.249 -1.502 1.00 0.00 C ATOM 285 CG TRP A 868 2.109 8.029 -0.219 1.00 0.00 C ATOM 286 CD1 TRP A 868 3.225 8.424 0.461 1.00 0.00 C ATOM 287 CD2 TRP A 868 0.990 8.496 0.544 1.00 0.00 C ATOM 288 NE1 TRP A 868 2.867 9.130 1.584 1.00 0.00 N ATOM 289 CE2 TRP A 868 1.502 9.182 1.659 1.00 0.00 C ATOM 290 CE3 TRP A 868 -0.392 8.407 0.386 1.00 0.00 C ATOM 291 CZ2 TRP A 868 0.677 9.775 2.611 1.00 0.00 C ATOM 292 CZ3 TRP A 868 -1.210 8.994 1.331 1.00 0.00 C ATOM 293 CH2 TRP A 868 -0.674 9.670 2.429 1.00 0.00 C ATOM 0 H TRP A 868 1.016 9.162 -2.824 1.00 0.00 H new ATOM 0 HA TRP A 868 3.745 8.161 -2.428 1.00 0.00 H new ATOM 0 HB2 TRP A 868 1.023 7.025 -1.745 1.00 0.00 H new ATOM 0 HB3 TRP A 868 2.568 6.295 -1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 868 4.240 8.212 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 868 3.514 9.548 2.253 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -0.816 7.888 -0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 1.089 10.298 3.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.282 8.929 1.219 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.341 10.120 3.150 1.00 0.00 H new ATOM 304 N ILE A 869 3.618 6.369 -4.150 1.00 0.00 N ATOM 305 CA ILE A 869 3.627 5.511 -5.287 1.00 0.00 C ATOM 306 C ILE A 869 3.305 4.079 -4.881 1.00 0.00 C ATOM 307 O ILE A 869 4.100 3.408 -4.207 1.00 0.00 O ATOM 308 CB ILE A 869 4.951 5.619 -6.096 1.00 0.00 C ATOM 309 CG1 ILE A 869 5.099 7.063 -6.634 1.00 0.00 C ATOM 310 CG2 ILE A 869 4.984 4.604 -7.225 1.00 0.00 C ATOM 311 CD1 ILE A 869 6.252 7.299 -7.584 1.00 0.00 C ATOM 0 H ILE A 869 4.452 6.312 -3.566 1.00 0.00 H new ATOM 0 HA ILE A 869 2.840 5.845 -5.964 1.00 0.00 H new ATOM 0 HB ILE A 869 5.793 5.395 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 869 4.174 7.338 -7.141 1.00 0.00 H new ATOM 0 HG13 ILE A 869 5.210 7.737 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 869 5.920 4.701 -7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 869 4.908 3.598 -6.812 1.00 0.00 H new ATOM 0 HG23 ILE A 869 4.147 4.783 -7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 869 6.258 8.343 -7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 869 7.191 7.065 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 869 6.139 6.659 -8.459 1.00 0.00 H new ATOM 323 N CYS A 870 2.114 3.661 -5.280 1.00 0.00 N ATOM 324 CA CYS A 870 1.539 2.368 -5.027 1.00 0.00 C ATOM 325 C CYS A 870 2.465 1.264 -5.544 1.00 0.00 C ATOM 326 O CYS A 870 2.710 1.164 -6.754 1.00 0.00 O ATOM 327 CB CYS A 870 0.174 2.335 -5.765 1.00 0.00 C ATOM 328 SG CYS A 870 -0.837 0.818 -5.675 1.00 0.00 S ATOM 0 H CYS A 870 1.492 4.260 -5.822 1.00 0.00 H new ATOM 0 HA CYS A 870 1.404 2.198 -3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 870 -0.429 3.157 -5.380 1.00 0.00 H new ATOM 0 HB3 CYS A 870 0.363 2.544 -6.818 1.00 0.00 H new ATOM 333 N PRO A 871 3.001 0.430 -4.635 1.00 0.00 N ATOM 334 CA PRO A 871 3.881 -0.701 -4.983 1.00 0.00 C ATOM 335 C PRO A 871 3.201 -1.725 -5.910 1.00 0.00 C ATOM 336 O PRO A 871 3.866 -2.592 -6.501 1.00 0.00 O ATOM 337 CB PRO A 871 4.180 -1.353 -3.627 1.00 0.00 C ATOM 338 CG PRO A 871 3.944 -0.281 -2.625 1.00 0.00 C ATOM 339 CD PRO A 871 2.827 0.552 -3.175 1.00 0.00 C ATOM 0 HA PRO A 871 4.764 -0.363 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 871 3.530 -2.210 -3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 871 5.207 -1.717 -3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 871 3.677 -0.703 -1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 871 4.842 0.319 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 871 1.853 0.182 -2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 871 2.899 1.589 -2.846 1.00 0.00 H new ATOM 347 N GLY A 872 1.891 -1.622 -6.045 1.00 0.00 N ATOM 348 CA GLY A 872 1.155 -2.536 -6.875 1.00 0.00 C ATOM 349 C GLY A 872 1.301 -2.246 -8.364 1.00 0.00 C ATOM 350 O GLY A 872 1.397 -3.170 -9.169 1.00 0.00 O ATOM 0 H GLY A 872 1.321 -0.911 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 872 1.494 -3.552 -6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 872 0.100 -2.493 -6.605 1.00 0.00 H new ATOM 354 N CYS A 873 1.336 -0.981 -8.731 1.00 0.00 N ATOM 355 CA CYS A 873 1.379 -0.599 -10.141 1.00 0.00 C ATOM 356 C CYS A 873 2.620 0.232 -10.479 1.00 0.00 C ATOM 357 O CYS A 873 2.944 0.434 -11.662 1.00 0.00 O ATOM 358 CB CYS A 873 0.144 0.224 -10.407 1.00 0.00 C ATOM 359 SG CYS A 873 -0.044 1.563 -9.210 1.00 0.00 S ATOM 0 H CYS A 873 1.336 -0.196 -8.079 1.00 0.00 H new ATOM 0 HA CYS A 873 1.420 -1.497 -10.757 1.00 0.00 H new ATOM 0 HB2 CYS A 873 0.195 0.641 -11.413 1.00 0.00 H new ATOM 0 HB3 CYS A 873 -0.735 -0.419 -10.373 1.00 0.00 H new ATOM 364 N ASN A 874 3.261 0.748 -9.431 1.00 0.00 N ATOM 365 CA ASN A 874 4.431 1.636 -9.503 1.00 0.00 C ATOM 366 C ASN A 874 3.971 3.020 -9.998 1.00 0.00 C ATOM 367 O ASN A 874 4.761 3.825 -10.495 1.00 0.00 O ATOM 368 CB ASN A 874 5.564 1.055 -10.403 1.00 0.00 C ATOM 369 CG ASN A 874 6.969 1.566 -10.039 1.00 0.00 C ATOM 370 OD1 ASN A 874 7.428 2.621 -10.502 1.00 0.00 O ATOM 371 ND2 ASN A 874 7.680 0.798 -9.237 1.00 0.00 N ATOM 0 H ASN A 874 2.973 0.555 -8.472 1.00 0.00 H new ATOM 0 HA ASN A 874 4.862 1.727 -8.506 1.00 0.00 H new ATOM 0 HB2 ASN A 874 5.552 -0.032 -10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 874 5.354 1.306 -11.443 1.00 0.00 H new ATOM 0 HD21 ASN A 874 8.631 1.067 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 874 7.279 -0.065 -8.870 1.00 0.00 H new ATOM 378 N LYS A 875 2.675 3.297 -9.832 1.00 0.00 N ATOM 379 CA LYS A 875 2.102 4.585 -10.194 1.00 0.00 C ATOM 380 C LYS A 875 1.896 5.438 -8.953 1.00 0.00 C ATOM 381 O LYS A 875 1.534 4.924 -7.885 1.00 0.00 O ATOM 382 CB LYS A 875 0.732 4.442 -10.875 1.00 0.00 C ATOM 383 CG LYS A 875 0.703 3.694 -12.192 1.00 0.00 C ATOM 384 CD LYS A 875 -0.742 3.534 -12.728 1.00 0.00 C ATOM 385 CE LYS A 875 -1.342 4.815 -13.375 1.00 0.00 C ATOM 386 NZ LYS A 875 -1.416 6.000 -12.476 1.00 0.00 N ATOM 0 H LYS A 875 2.002 2.636 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 875 2.806 5.048 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.058 3.938 -10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 875 0.329 5.441 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 875 1.307 4.227 -12.927 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.154 2.710 -12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -0.754 2.731 -13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -1.387 3.222 -11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.744 5.077 -14.248 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -2.346 4.587 -13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -2.181 6.629 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -1.607 5.686 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.512 6.513 -12.503 1.00 0.00 H new ATOM 400 N PRO A 876 2.144 6.733 -9.071 1.00 0.00 N ATOM 401 CA PRO A 876 1.858 7.685 -8.012 1.00 0.00 C ATOM 402 C PRO A 876 0.362 7.931 -7.892 1.00 0.00 C ATOM 403 O PRO A 876 -0.391 7.651 -8.837 1.00 0.00 O ATOM 404 CB PRO A 876 2.552 8.966 -8.477 1.00 0.00 C ATOM 405 CG PRO A 876 2.705 8.833 -9.951 1.00 0.00 C ATOM 406 CD PRO A 876 2.760 7.367 -10.246 1.00 0.00 C ATOM 0 HA PRO A 876 2.198 7.334 -7.038 1.00 0.00 H new ATOM 0 HB2 PRO A 876 1.960 9.845 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 876 3.521 9.083 -7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 876 1.869 9.301 -10.471 1.00 0.00 H new ATOM 0 HG3 PRO A 876 3.612 9.331 -10.293 1.00 0.00 H new ATOM 0 HD2 PRO A 876 2.216 7.125 -11.159 1.00 0.00 H new ATOM 0 HD3 PRO A 876 3.786 7.029 -10.388 1.00 0.00 H new ATOM 414 N ASP A 877 -0.066 8.404 -6.727 1.00 0.00 N ATOM 415 CA ASP A 877 -1.468 8.766 -6.488 1.00 0.00 C ATOM 416 C ASP A 877 -2.015 9.643 -7.592 1.00 0.00 C ATOM 417 O ASP A 877 -1.486 10.721 -7.881 1.00 0.00 O ATOM 418 CB ASP A 877 -1.665 9.442 -5.134 1.00 0.00 C ATOM 419 CG ASP A 877 -3.073 10.002 -4.970 1.00 0.00 C ATOM 420 OD1 ASP A 877 -4.049 9.348 -5.392 1.00 0.00 O ATOM 421 OD2 ASP A 877 -3.215 11.134 -4.480 1.00 0.00 O ATOM 0 H ASP A 877 0.542 8.549 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 877 -2.028 7.831 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -1.467 8.723 -4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -0.940 10.248 -5.023 1.00 0.00 H new ATOM 426 N ASP A 878 -3.080 9.178 -8.183 1.00 0.00 N ATOM 427 CA ASP A 878 -3.711 9.820 -9.324 1.00 0.00 C ATOM 428 C ASP A 878 -4.760 10.796 -8.865 1.00 0.00 C ATOM 429 O ASP A 878 -5.509 11.358 -9.676 1.00 0.00 O ATOM 430 CB ASP A 878 -4.378 8.773 -10.221 1.00 0.00 C ATOM 431 CG ASP A 878 -3.410 7.829 -10.880 1.00 0.00 C ATOM 432 OD1 ASP A 878 -2.886 8.169 -11.962 1.00 0.00 O ATOM 433 OD2 ASP A 878 -3.170 6.713 -10.352 1.00 0.00 O ATOM 0 H ASP A 878 -3.551 8.324 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 878 -2.938 10.348 -9.882 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -5.085 8.196 -9.625 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -4.954 9.284 -10.992 1.00 0.00 H new ATOM 438 N GLY A 879 -4.829 10.984 -7.573 1.00 0.00 N ATOM 439 CA GLY A 879 -5.819 11.834 -6.999 1.00 0.00 C ATOM 440 C GLY A 879 -7.007 11.003 -6.657 1.00 0.00 C ATOM 441 O GLY A 879 -8.154 11.430 -6.798 1.00 0.00 O ATOM 0 H GLY A 879 -4.199 10.550 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -5.428 12.323 -6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -6.096 12.622 -7.700 1.00 0.00 H new ATOM 445 N SER A 880 -6.730 9.811 -6.220 1.00 0.00 N ATOM 446 CA SER A 880 -7.726 8.847 -5.919 1.00 0.00 C ATOM 447 C SER A 880 -7.556 8.428 -4.456 1.00 0.00 C ATOM 448 O SER A 880 -6.501 8.680 -3.868 1.00 0.00 O ATOM 449 CB SER A 880 -7.532 7.645 -6.850 1.00 0.00 C ATOM 450 OG SER A 880 -7.532 8.035 -8.233 1.00 0.00 O ATOM 0 H SER A 880 -5.778 9.481 -6.061 1.00 0.00 H new ATOM 0 HA SER A 880 -8.728 9.250 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 880 -6.591 7.149 -6.612 1.00 0.00 H new ATOM 0 HB3 SER A 880 -8.327 6.919 -6.677 1.00 0.00 H new ATOM 0 HG SER A 880 -7.404 7.243 -8.796 1.00 0.00 H new ATOM 456 N PRO A 881 -8.568 7.828 -3.829 1.00 0.00 N ATOM 457 CA PRO A 881 -8.449 7.374 -2.458 1.00 0.00 C ATOM 458 C PRO A 881 -7.437 6.236 -2.363 1.00 0.00 C ATOM 459 O PRO A 881 -7.427 5.300 -3.197 1.00 0.00 O ATOM 460 CB PRO A 881 -9.864 6.898 -2.097 1.00 0.00 C ATOM 461 CG PRO A 881 -10.743 7.477 -3.155 1.00 0.00 C ATOM 462 CD PRO A 881 -9.891 7.546 -4.381 1.00 0.00 C ATOM 0 HA PRO A 881 -8.094 8.150 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -9.924 5.810 -2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -10.157 7.245 -1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -11.622 6.854 -3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -11.103 8.466 -2.870 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -9.907 6.610 -4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -10.222 8.330 -5.062 1.00 0.00 H new ATOM 470 N MET A 882 -6.561 6.331 -1.399 1.00 0.00 N ATOM 471 CA MET A 882 -5.534 5.344 -1.238 1.00 0.00 C ATOM 472 C MET A 882 -5.777 4.567 0.029 1.00 0.00 C ATOM 473 O MET A 882 -6.410 5.069 0.961 1.00 0.00 O ATOM 474 CB MET A 882 -4.129 5.979 -1.221 1.00 0.00 C ATOM 475 CG MET A 882 -3.792 6.814 -2.456 1.00 0.00 C ATOM 476 SD MET A 882 -2.062 7.335 -2.509 1.00 0.00 S ATOM 477 CE MET A 882 -1.253 5.786 -2.910 1.00 0.00 C ATOM 0 H MET A 882 -6.540 7.085 -0.713 1.00 0.00 H new ATOM 0 HA MET A 882 -5.573 4.669 -2.093 1.00 0.00 H new ATOM 0 HB2 MET A 882 -4.041 6.610 -0.337 1.00 0.00 H new ATOM 0 HB3 MET A 882 -3.388 5.186 -1.122 1.00 0.00 H new ATOM 0 HG2 MET A 882 -4.019 6.235 -3.351 1.00 0.00 H new ATOM 0 HG3 MET A 882 -4.432 7.696 -2.476 1.00 0.00 H new ATOM 0 HE1 MET A 882 -0.632 5.472 -2.071 1.00 0.00 H new ATOM 0 HE2 MET A 882 -2.006 5.023 -3.110 1.00 0.00 H new ATOM 0 HE3 MET A 882 -0.629 5.920 -3.793 1.00 0.00 H new ATOM 487 N ILE A 883 -5.290 3.371 0.068 1.00 0.00 N ATOM 488 CA ILE A 883 -5.450 2.520 1.211 1.00 0.00 C ATOM 489 C ILE A 883 -4.073 2.059 1.681 1.00 0.00 C ATOM 490 O ILE A 883 -3.200 1.783 0.861 1.00 0.00 O ATOM 491 CB ILE A 883 -6.388 1.301 0.898 1.00 0.00 C ATOM 492 CG1 ILE A 883 -6.604 0.454 2.164 1.00 0.00 C ATOM 493 CG2 ILE A 883 -5.849 0.456 -0.268 1.00 0.00 C ATOM 494 CD1 ILE A 883 -7.644 -0.624 2.020 1.00 0.00 C ATOM 0 H ILE A 883 -4.764 2.949 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 883 -5.933 3.083 2.010 1.00 0.00 H new ATOM 0 HB ILE A 883 -7.356 1.689 0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 883 -5.657 -0.007 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 883 -6.892 1.113 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 883 -6.525 -0.378 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 883 -5.779 1.074 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 883 -4.861 0.073 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 883 -7.732 -1.172 2.958 1.00 0.00 H new ATOM 0 HD12 ILE A 883 -8.604 -0.172 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 883 -7.350 -1.310 1.225 1.00 0.00 H new ATOM 506 N GLY A 884 -3.865 2.044 2.971 1.00 0.00 N ATOM 507 CA GLY A 884 -2.594 1.625 3.507 1.00 0.00 C ATOM 508 C GLY A 884 -2.694 0.242 4.078 1.00 0.00 C ATOM 509 O GLY A 884 -3.799 -0.216 4.411 1.00 0.00 O ATOM 0 H GLY A 884 -4.556 2.316 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 884 -1.837 1.647 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 884 -2.272 2.322 4.281 1.00 0.00 H new ATOM 513 N CYS A 885 -1.579 -0.433 4.201 1.00 0.00 N ATOM 514 CA CYS A 885 -1.569 -1.773 4.736 1.00 0.00 C ATOM 515 C CYS A 885 -1.751 -1.740 6.253 1.00 0.00 C ATOM 516 O CYS A 885 -1.716 -0.677 6.882 1.00 0.00 O ATOM 517 CB CYS A 885 -0.260 -2.501 4.344 1.00 0.00 C ATOM 518 SG CYS A 885 -0.129 -4.261 4.844 1.00 0.00 S ATOM 0 H CYS A 885 -0.661 -0.075 3.937 1.00 0.00 H new ATOM 0 HA CYS A 885 -2.403 -2.330 4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 885 -0.147 -2.443 3.261 1.00 0.00 H new ATOM 0 HB3 CYS A 885 0.578 -1.958 4.781 1.00 0.00 H new ATOM 523 N ASP A 886 -1.968 -2.884 6.815 1.00 0.00 N ATOM 524 CA ASP A 886 -2.131 -3.016 8.248 1.00 0.00 C ATOM 525 C ASP A 886 -0.774 -3.292 8.851 1.00 0.00 C ATOM 526 O ASP A 886 -0.490 -2.939 10.004 1.00 0.00 O ATOM 527 CB ASP A 886 -3.095 -4.172 8.570 1.00 0.00 C ATOM 528 CG ASP A 886 -3.407 -4.323 10.053 1.00 0.00 C ATOM 529 OD1 ASP A 886 -4.369 -3.685 10.538 1.00 0.00 O ATOM 530 OD2 ASP A 886 -2.729 -5.091 10.755 1.00 0.00 O ATOM 0 H ASP A 886 -2.040 -3.763 6.303 1.00 0.00 H new ATOM 0 HA ASP A 886 -2.550 -2.099 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 886 -4.027 -4.016 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 886 -2.664 -5.104 8.203 1.00 0.00 H new ATOM 535 N ASP A 887 0.095 -3.871 8.043 1.00 0.00 N ATOM 536 CA ASP A 887 1.406 -4.266 8.511 1.00 0.00 C ATOM 537 C ASP A 887 2.459 -3.232 8.141 1.00 0.00 C ATOM 538 O ASP A 887 3.222 -2.789 9.005 1.00 0.00 O ATOM 539 CB ASP A 887 1.786 -5.648 7.985 1.00 0.00 C ATOM 540 CG ASP A 887 3.074 -6.172 8.589 1.00 0.00 C ATOM 541 OD1 ASP A 887 3.030 -6.773 9.676 1.00 0.00 O ATOM 542 OD2 ASP A 887 4.145 -6.030 7.964 1.00 0.00 O ATOM 0 H ASP A 887 -0.085 -4.077 7.060 1.00 0.00 H new ATOM 0 HA ASP A 887 1.364 -4.323 9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 887 0.978 -6.348 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 887 1.890 -5.603 6.901 1.00 0.00 H new ATOM 547 N CYS A 888 2.492 -2.814 6.887 1.00 0.00 N ATOM 548 CA CYS A 888 3.460 -1.822 6.468 1.00 0.00 C ATOM 549 C CYS A 888 2.816 -0.433 6.406 1.00 0.00 C ATOM 550 O CYS A 888 1.619 -0.282 6.676 1.00 0.00 O ATOM 551 CB CYS A 888 4.147 -2.226 5.141 1.00 0.00 C ATOM 552 SG CYS A 888 3.043 -2.605 3.750 1.00 0.00 S ATOM 0 H CYS A 888 1.867 -3.143 6.151 1.00 0.00 H new ATOM 0 HA CYS A 888 4.252 -1.773 7.215 1.00 0.00 H new ATOM 0 HB2 CYS A 888 4.813 -1.417 4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 888 4.772 -3.099 5.330 1.00 0.00 H new ATOM 557 N ASP A 889 3.588 0.568 6.054 1.00 0.00 N ATOM 558 CA ASP A 889 3.076 1.939 6.048 1.00 0.00 C ATOM 559 C ASP A 889 2.931 2.480 4.639 1.00 0.00 C ATOM 560 O ASP A 889 2.684 3.685 4.446 1.00 0.00 O ATOM 561 CB ASP A 889 3.955 2.877 6.886 1.00 0.00 C ATOM 562 CG ASP A 889 5.329 3.108 6.312 1.00 0.00 C ATOM 563 OD1 ASP A 889 6.175 2.202 6.394 1.00 0.00 O ATOM 564 OD2 ASP A 889 5.609 4.220 5.846 1.00 0.00 O ATOM 0 H ASP A 889 4.563 0.473 5.769 1.00 0.00 H new ATOM 0 HA ASP A 889 2.086 1.902 6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 889 3.449 3.837 6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 889 4.057 2.463 7.889 1.00 0.00 H new ATOM 569 N ASP A 890 3.044 1.605 3.664 1.00 0.00 N ATOM 570 CA ASP A 890 2.904 2.013 2.272 1.00 0.00 C ATOM 571 C ASP A 890 1.452 2.102 1.872 1.00 0.00 C ATOM 572 O ASP A 890 0.586 1.403 2.438 1.00 0.00 O ATOM 573 CB ASP A 890 3.687 1.119 1.298 1.00 0.00 C ATOM 574 CG ASP A 890 5.177 1.378 1.324 1.00 0.00 C ATOM 575 OD1 ASP A 890 5.628 2.380 0.708 1.00 0.00 O ATOM 576 OD2 ASP A 890 5.926 0.581 1.933 1.00 0.00 O ATOM 0 H ASP A 890 3.231 0.612 3.801 1.00 0.00 H new ATOM 0 HA ASP A 890 3.346 3.007 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 890 3.501 0.074 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 890 3.314 1.279 0.287 1.00 0.00 H new ATOM 581 N TRP A 891 1.180 2.960 0.915 1.00 0.00 N ATOM 582 CA TRP A 891 -0.170 3.214 0.464 1.00 0.00 C ATOM 583 C TRP A 891 -0.357 2.759 -0.966 1.00 0.00 C ATOM 584 O TRP A 891 0.515 2.948 -1.812 1.00 0.00 O ATOM 585 CB TRP A 891 -0.532 4.701 0.599 1.00 0.00 C ATOM 586 CG TRP A 891 -0.636 5.191 2.016 1.00 0.00 C ATOM 587 CD1 TRP A 891 0.390 5.474 2.865 1.00 0.00 C ATOM 588 CD2 TRP A 891 -1.840 5.481 2.737 1.00 0.00 C ATOM 589 NE1 TRP A 891 -0.103 5.902 4.075 1.00 0.00 N ATOM 590 CE2 TRP A 891 -1.466 5.917 4.020 1.00 0.00 C ATOM 591 CE3 TRP A 891 -3.197 5.408 2.424 1.00 0.00 C ATOM 592 CZ2 TRP A 891 -2.399 6.279 4.988 1.00 0.00 C ATOM 593 CZ3 TRP A 891 -4.125 5.766 3.383 1.00 0.00 C ATOM 594 CH2 TRP A 891 -3.722 6.196 4.651 1.00 0.00 C ATOM 0 H TRP A 891 1.891 3.503 0.426 1.00 0.00 H new ATOM 0 HA TRP A 891 -0.842 2.640 1.102 1.00 0.00 H new ATOM 0 HB2 TRP A 891 0.219 5.294 0.077 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -1.483 4.878 0.096 1.00 0.00 H new ATOM 0 HD1 TRP A 891 1.438 5.377 2.623 1.00 0.00 H new ATOM 0 HE1 TRP A 891 0.460 6.166 4.884 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -3.518 5.077 1.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -2.090 6.613 5.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -5.178 5.713 3.150 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -4.471 6.468 5.380 1.00 0.00 H new ATOM 605 N TYR A 892 -1.490 2.166 -1.215 1.00 0.00 N ATOM 606 CA TYR A 892 -1.853 1.637 -2.507 1.00 0.00 C ATOM 607 C TYR A 892 -3.095 2.338 -3.002 1.00 0.00 C ATOM 608 O TYR A 892 -3.813 2.956 -2.220 1.00 0.00 O ATOM 609 CB TYR A 892 -2.147 0.134 -2.397 1.00 0.00 C ATOM 610 CG TYR A 892 -0.961 -0.719 -2.006 1.00 0.00 C ATOM 611 CD1 TYR A 892 -0.443 -0.681 -0.720 1.00 0.00 C ATOM 612 CD2 TYR A 892 -0.366 -1.563 -2.926 1.00 0.00 C ATOM 613 CE1 TYR A 892 0.626 -1.449 -0.365 1.00 0.00 C ATOM 614 CE2 TYR A 892 0.705 -2.348 -2.574 1.00 0.00 C ATOM 615 CZ TYR A 892 1.198 -2.280 -1.292 1.00 0.00 C ATOM 616 OH TYR A 892 2.244 -3.067 -0.931 1.00 0.00 O ATOM 0 H TYR A 892 -2.211 2.031 -0.506 1.00 0.00 H new ATOM 0 HA TYR A 892 -1.027 1.797 -3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 892 -2.940 -0.014 -1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 892 -2.529 -0.218 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 892 -0.895 -0.031 0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 892 -0.749 -1.606 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 892 1.019 -1.403 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 892 1.155 -3.012 -3.297 1.00 0.00 H new ATOM 0 HH TYR A 892 1.908 -3.885 -0.510 1.00 0.00 H new ATOM 626 N HIS A 893 -3.354 2.243 -4.273 1.00 0.00 N ATOM 627 CA HIS A 893 -4.563 2.829 -4.850 1.00 0.00 C ATOM 628 C HIS A 893 -5.716 1.862 -4.662 1.00 0.00 C ATOM 629 O HIS A 893 -5.519 0.648 -4.754 1.00 0.00 O ATOM 630 CB HIS A 893 -4.430 3.073 -6.362 1.00 0.00 C ATOM 631 CG HIS A 893 -3.419 4.069 -6.814 1.00 0.00 C ATOM 632 ND1 HIS A 893 -2.219 3.661 -7.334 1.00 0.00 N ATOM 633 CD2 HIS A 893 -3.520 5.412 -6.927 1.00 0.00 C ATOM 634 CE1 HIS A 893 -1.623 4.770 -7.762 1.00 0.00 C ATOM 635 NE2 HIS A 893 -2.369 5.842 -7.543 1.00 0.00 N ATOM 0 H HIS A 893 -2.752 1.767 -4.945 1.00 0.00 H new ATOM 0 HA HIS A 893 -4.729 3.781 -4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 893 -4.198 2.120 -6.837 1.00 0.00 H new ATOM 0 HB3 HIS A 893 -5.403 3.388 -6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 893 -4.344 6.027 -6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 893 -0.650 4.794 -8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 893 -2.134 6.804 -7.786 1.00 0.00 H new ATOM 643 N TRP A 894 -6.907 2.390 -4.419 1.00 0.00 N ATOM 644 CA TRP A 894 -8.124 1.567 -4.324 1.00 0.00 C ATOM 645 C TRP A 894 -8.336 0.603 -5.527 1.00 0.00 C ATOM 646 O TRP A 894 -8.596 -0.579 -5.304 1.00 0.00 O ATOM 647 CB TRP A 894 -9.388 2.419 -4.096 1.00 0.00 C ATOM 648 CG TRP A 894 -9.627 2.838 -2.675 1.00 0.00 C ATOM 649 CD1 TRP A 894 -8.770 2.728 -1.614 1.00 0.00 C ATOM 650 CD2 TRP A 894 -10.832 3.409 -2.155 1.00 0.00 C ATOM 651 NE1 TRP A 894 -9.371 3.209 -0.473 1.00 0.00 N ATOM 652 CE2 TRP A 894 -10.634 3.631 -0.779 1.00 0.00 C ATOM 653 CE3 TRP A 894 -12.058 3.762 -2.725 1.00 0.00 C ATOM 654 CZ2 TRP A 894 -11.620 4.185 0.034 1.00 0.00 C ATOM 655 CZ3 TRP A 894 -13.031 4.310 -1.919 1.00 0.00 C ATOM 656 CH2 TRP A 894 -12.807 4.517 -0.554 1.00 0.00 C ATOM 0 H TRP A 894 -7.066 3.388 -4.282 1.00 0.00 H new ATOM 0 HA TRP A 894 -7.959 0.941 -3.447 1.00 0.00 H new ATOM 0 HB2 TRP A 894 -9.321 3.313 -4.715 1.00 0.00 H new ATOM 0 HB3 TRP A 894 -10.254 1.855 -4.443 1.00 0.00 H new ATOM 0 HD1 TRP A 894 -7.770 2.324 -1.664 1.00 0.00 H new ATOM 0 HE1 TRP A 894 -8.943 3.245 0.452 1.00 0.00 H new ATOM 0 HE3 TRP A 894 -12.239 3.608 -3.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 -11.452 4.346 1.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 -13.983 4.585 -2.348 1.00 0.00 H new ATOM 0 HH2 TRP A 894 -13.591 4.950 0.049 1.00 0.00 H new ATOM 667 N PRO A 895 -8.246 1.072 -6.815 1.00 0.00 N ATOM 668 CA PRO A 895 -8.441 0.202 -7.998 1.00 0.00 C ATOM 669 C PRO A 895 -7.389 -0.913 -8.137 1.00 0.00 C ATOM 670 O PRO A 895 -7.658 -1.953 -8.741 1.00 0.00 O ATOM 671 CB PRO A 895 -8.340 1.167 -9.191 1.00 0.00 C ATOM 672 CG PRO A 895 -7.607 2.349 -8.664 1.00 0.00 C ATOM 673 CD PRO A 895 -8.029 2.479 -7.237 1.00 0.00 C ATOM 0 HA PRO A 895 -9.391 -0.327 -7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 895 -7.807 0.710 -10.025 1.00 0.00 H new ATOM 0 HB3 PRO A 895 -9.327 1.446 -9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 895 -6.529 2.209 -8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 895 -7.854 3.248 -9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 895 -7.263 2.966 -6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 895 -8.938 3.073 -7.139 1.00 0.00 H new ATOM 681 N CYS A 896 -6.221 -0.725 -7.552 1.00 0.00 N ATOM 682 CA CYS A 896 -5.146 -1.699 -7.694 1.00 0.00 C ATOM 683 C CYS A 896 -5.377 -2.917 -6.817 1.00 0.00 C ATOM 684 O CYS A 896 -4.892 -4.021 -7.100 1.00 0.00 O ATOM 685 CB CYS A 896 -3.828 -1.031 -7.348 1.00 0.00 C ATOM 686 SG CYS A 896 -3.510 0.442 -8.347 1.00 0.00 S ATOM 0 H CYS A 896 -5.990 0.085 -6.977 1.00 0.00 H new ATOM 0 HA CYS A 896 -5.122 -2.049 -8.726 1.00 0.00 H new ATOM 0 HB2 CYS A 896 -3.830 -0.756 -6.293 1.00 0.00 H new ATOM 0 HB3 CYS A 896 -3.016 -1.744 -7.490 1.00 0.00 H new ATOM 691 N VAL A 897 -6.107 -2.715 -5.768 1.00 0.00 N ATOM 692 CA VAL A 897 -6.392 -3.769 -4.834 1.00 0.00 C ATOM 693 C VAL A 897 -7.880 -4.129 -4.823 1.00 0.00 C ATOM 694 O VAL A 897 -8.304 -5.050 -4.127 1.00 0.00 O ATOM 695 CB VAL A 897 -5.871 -3.418 -3.425 1.00 0.00 C ATOM 696 CG1 VAL A 897 -4.352 -3.526 -3.414 1.00 0.00 C ATOM 697 CG2 VAL A 897 -6.252 -1.998 -3.084 1.00 0.00 C ATOM 0 H VAL A 897 -6.525 -1.816 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 897 -5.858 -4.659 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 897 -6.306 -4.104 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 897 -3.977 -3.279 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 897 -4.058 -4.544 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 897 -3.933 -2.833 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 897 -5.883 -1.751 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 897 -5.811 -1.318 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 897 -7.337 -1.898 -3.104 1.00 0.00 H new ATOM 707 N GLY A 898 -8.653 -3.401 -5.608 1.00 0.00 N ATOM 708 CA GLY A 898 -10.064 -3.683 -5.761 1.00 0.00 C ATOM 709 C GLY A 898 -10.879 -3.300 -4.556 1.00 0.00 C ATOM 710 O GLY A 898 -11.721 -4.066 -4.105 1.00 0.00 O ATOM 0 H GLY A 898 -8.322 -2.605 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 898 -10.442 -3.148 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 898 -10.196 -4.747 -5.958 1.00 0.00 H new ATOM 714 N ILE A 899 -10.621 -2.125 -4.032 1.00 0.00 N ATOM 715 CA ILE A 899 -11.356 -1.632 -2.878 1.00 0.00 C ATOM 716 C ILE A 899 -12.685 -1.079 -3.300 1.00 0.00 C ATOM 717 O ILE A 899 -13.744 -1.599 -2.976 1.00 0.00 O ATOM 718 CB ILE A 899 -10.523 -0.591 -2.076 1.00 0.00 C ATOM 719 CG1 ILE A 899 -9.250 -1.230 -1.539 1.00 0.00 C ATOM 720 CG2 ILE A 899 -11.313 0.005 -0.932 1.00 0.00 C ATOM 721 CD1 ILE A 899 -9.477 -2.352 -0.552 1.00 0.00 C ATOM 0 H ILE A 899 -9.907 -1.487 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 899 -11.542 -2.470 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 899 -10.266 0.214 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 899 -8.670 -1.614 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE A 899 -8.646 -0.459 -1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 899 -10.694 0.726 -0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 899 -12.198 0.506 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 899 -11.617 -0.787 -0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 899 -8.516 -2.747 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 899 -10.028 -1.973 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 899 -10.051 -3.146 -1.029 1.00 0.00 H new ATOM 733 N MET A 900 -12.572 -0.023 -3.986 1.00 0.00 N ATOM 734 CA MET A 900 -13.617 0.744 -4.639 1.00 0.00 C ATOM 735 C MET A 900 -14.609 1.433 -3.678 1.00 0.00 C ATOM 736 O MET A 900 -15.335 2.352 -4.083 1.00 0.00 O ATOM 737 CB MET A 900 -14.328 -0.095 -5.671 1.00 0.00 C ATOM 738 CG MET A 900 -13.447 -0.558 -6.828 1.00 0.00 C ATOM 739 SD MET A 900 -14.339 -1.561 -8.039 1.00 0.00 S ATOM 740 CE MET A 900 -13.032 -1.860 -9.232 1.00 0.00 C ATOM 0 H MET A 900 -11.656 0.398 -4.140 1.00 0.00 H new ATOM 0 HA MET A 900 -13.108 1.568 -5.140 1.00 0.00 H new ATOM 0 HB2 MET A 900 -14.750 -0.971 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 900 -15.163 0.478 -6.074 1.00 0.00 H new ATOM 0 HG2 MET A 900 -13.025 0.314 -7.327 1.00 0.00 H new ATOM 0 HG3 MET A 900 -12.611 -1.135 -6.432 1.00 0.00 H new ATOM 0 HE1 MET A 900 -13.418 -2.469 -10.050 1.00 0.00 H new ATOM 0 HE2 MET A 900 -12.674 -0.909 -9.626 1.00 0.00 H new ATOM 0 HE3 MET A 900 -12.209 -2.384 -8.746 1.00 0.00 H new ATOM 750 N ALA A 901 -14.599 1.023 -2.434 1.00 0.00 N ATOM 751 CA ALA A 901 -15.465 1.549 -1.397 1.00 0.00 C ATOM 752 C ALA A 901 -14.813 1.250 -0.079 1.00 0.00 C ATOM 753 O ALA A 901 -14.141 0.220 0.030 1.00 0.00 O ATOM 754 CB ALA A 901 -16.845 0.907 -1.460 1.00 0.00 C ATOM 0 H ALA A 901 -13.971 0.292 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 901 -15.602 2.622 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 901 -17.474 1.319 -0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 901 -17.298 1.112 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 901 -16.752 -0.170 -1.324 1.00 0.00 H new ATOM 760 N ALA A 902 -14.999 2.133 0.895 1.00 0.00 N ATOM 761 CA ALA A 902 -14.367 2.040 2.209 1.00 0.00 C ATOM 762 C ALA A 902 -14.581 0.672 2.857 1.00 0.00 C ATOM 763 O ALA A 902 -15.706 0.320 3.238 1.00 0.00 O ATOM 764 CB ALA A 902 -14.877 3.137 3.119 1.00 0.00 C ATOM 0 H ALA A 902 -15.603 2.948 0.794 1.00 0.00 H new ATOM 0 HA ALA A 902 -13.294 2.166 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -14.397 3.054 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -14.646 4.109 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -15.956 3.040 3.237 1.00 0.00 H new ATOM 770 N PRO A 903 -13.510 -0.124 2.964 1.00 0.00 N ATOM 771 CA PRO A 903 -13.576 -1.469 3.519 1.00 0.00 C ATOM 772 C PRO A 903 -13.932 -1.461 5.005 1.00 0.00 C ATOM 773 O PRO A 903 -13.405 -0.642 5.774 1.00 0.00 O ATOM 774 CB PRO A 903 -12.158 -2.021 3.316 1.00 0.00 C ATOM 775 CG PRO A 903 -11.291 -0.823 3.176 1.00 0.00 C ATOM 776 CD PRO A 903 -12.143 0.233 2.545 1.00 0.00 C ATOM 0 HA PRO A 903 -14.349 -2.067 3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 903 -11.849 -2.634 4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 903 -12.104 -2.652 2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 903 -10.919 -0.495 4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 903 -10.420 -1.042 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 903 -11.866 1.229 2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 903 -12.044 0.232 1.460 1.00 0.00 H new ATOM 784 N PRO A 904 -14.878 -2.307 5.422 1.00 0.00 N ATOM 785 CA PRO A 904 -15.239 -2.442 6.828 1.00 0.00 C ATOM 786 C PRO A 904 -14.054 -2.971 7.645 1.00 0.00 C ATOM 787 O PRO A 904 -13.342 -3.884 7.203 1.00 0.00 O ATOM 788 CB PRO A 904 -16.371 -3.473 6.805 1.00 0.00 C ATOM 789 CG PRO A 904 -16.882 -3.455 5.416 1.00 0.00 C ATOM 790 CD PRO A 904 -15.693 -3.180 4.561 1.00 0.00 C ATOM 0 HA PRO A 904 -15.527 -1.495 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 904 -16.007 -4.464 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 904 -17.155 -3.214 7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 904 -17.342 -4.408 5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 904 -17.644 -2.687 5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 904 -15.164 -4.095 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 904 -15.969 -2.688 3.628 1.00 0.00 H new ATOM 798 N GLU A 905 -13.872 -2.436 8.847 1.00 0.00 N ATOM 799 CA GLU A 905 -12.719 -2.781 9.681 1.00 0.00 C ATOM 800 C GLU A 905 -12.836 -4.168 10.322 1.00 0.00 C ATOM 801 O GLU A 905 -11.943 -4.601 11.055 1.00 0.00 O ATOM 802 CB GLU A 905 -12.430 -1.700 10.721 1.00 0.00 C ATOM 803 CG GLU A 905 -13.559 -1.428 11.691 1.00 0.00 C ATOM 804 CD GLU A 905 -13.197 -0.373 12.697 1.00 0.00 C ATOM 805 OE1 GLU A 905 -12.516 -0.691 13.696 1.00 0.00 O ATOM 806 OE2 GLU A 905 -13.601 0.792 12.531 1.00 0.00 O ATOM 0 H GLU A 905 -14.508 -1.760 9.269 1.00 0.00 H new ATOM 0 HA GLU A 905 -11.862 -2.829 9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 905 -11.546 -1.990 11.288 1.00 0.00 H new ATOM 0 HB3 GLU A 905 -12.186 -0.773 10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 905 -14.444 -1.113 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 905 -13.820 -2.350 12.211 1.00 0.00 H new ATOM 813 N GLU A 906 -13.932 -4.863 10.032 1.00 0.00 N ATOM 814 CA GLU A 906 -14.099 -6.252 10.455 1.00 0.00 C ATOM 815 C GLU A 906 -13.120 -7.122 9.668 1.00 0.00 C ATOM 816 O GLU A 906 -12.809 -8.239 10.055 1.00 0.00 O ATOM 817 CB GLU A 906 -15.533 -6.760 10.207 1.00 0.00 C ATOM 818 CG GLU A 906 -15.935 -6.801 8.736 1.00 0.00 C ATOM 819 CD GLU A 906 -17.268 -7.446 8.504 1.00 0.00 C ATOM 820 OE1 GLU A 906 -17.331 -8.683 8.389 1.00 0.00 O ATOM 821 OE2 GLU A 906 -18.281 -6.736 8.416 1.00 0.00 O ATOM 0 H GLU A 906 -14.720 -4.487 9.505 1.00 0.00 H new ATOM 0 HA GLU A 906 -13.904 -6.309 11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 906 -15.630 -7.761 10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 906 -16.232 -6.120 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 906 -15.958 -5.784 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 906 -15.174 -7.342 8.173 1.00 0.00 H new ATOM 828 N MET A 907 -12.665 -6.588 8.554 1.00 0.00 N ATOM 829 CA MET A 907 -11.728 -7.244 7.707 1.00 0.00 C ATOM 830 C MET A 907 -10.373 -6.619 7.902 1.00 0.00 C ATOM 831 O MET A 907 -10.225 -5.386 7.823 1.00 0.00 O ATOM 832 CB MET A 907 -12.122 -7.083 6.239 1.00 0.00 C ATOM 833 CG MET A 907 -11.111 -7.690 5.267 1.00 0.00 C ATOM 834 SD MET A 907 -11.420 -7.265 3.538 1.00 0.00 S ATOM 835 CE MET A 907 -11.225 -5.485 3.584 1.00 0.00 C ATOM 0 H MET A 907 -12.950 -5.668 8.218 1.00 0.00 H new ATOM 0 HA MET A 907 -11.711 -8.304 7.962 1.00 0.00 H new ATOM 0 HB2 MET A 907 -13.094 -7.550 6.078 1.00 0.00 H new ATOM 0 HB3 MET A 907 -12.237 -6.022 6.016 1.00 0.00 H new ATOM 0 HG2 MET A 907 -10.111 -7.355 5.541 1.00 0.00 H new ATOM 0 HG3 MET A 907 -11.124 -8.775 5.373 1.00 0.00 H new ATOM 0 HE1 MET A 907 -10.996 -5.118 2.583 1.00 0.00 H new ATOM 0 HE2 MET A 907 -12.149 -5.027 3.936 1.00 0.00 H new ATOM 0 HE3 MET A 907 -10.411 -5.226 4.260 1.00 0.00 H new ATOM 845 N GLN A 908 -9.406 -7.432 8.173 1.00 0.00 N ATOM 846 CA GLN A 908 -8.061 -6.963 8.226 1.00 0.00 C ATOM 847 C GLN A 908 -7.539 -6.948 6.826 1.00 0.00 C ATOM 848 O GLN A 908 -7.828 -7.858 6.038 1.00 0.00 O ATOM 849 CB GLN A 908 -7.190 -7.812 9.132 1.00 0.00 C ATOM 850 CG GLN A 908 -7.627 -7.786 10.586 1.00 0.00 C ATOM 851 CD GLN A 908 -7.565 -6.395 11.187 1.00 0.00 C ATOM 852 OE1 GLN A 908 -8.531 -5.633 11.139 1.00 0.00 O ATOM 853 NE2 GLN A 908 -6.442 -6.047 11.751 1.00 0.00 N ATOM 0 H GLN A 908 -9.523 -8.428 8.362 1.00 0.00 H new ATOM 0 HA GLN A 908 -8.038 -5.961 8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -7.203 -8.842 8.775 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -6.159 -7.463 9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -8.646 -8.166 10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -6.992 -8.457 11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -5.659 -6.701 11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -6.346 -5.121 12.168 1.00 0.00 H new ATOM 862 N TRP A 909 -6.798 -5.953 6.506 1.00 0.00 N ATOM 863 CA TRP A 909 -6.392 -5.765 5.153 1.00 0.00 C ATOM 864 C TRP A 909 -4.901 -5.660 5.062 1.00 0.00 C ATOM 865 O TRP A 909 -4.281 -4.762 5.661 1.00 0.00 O ATOM 866 CB TRP A 909 -7.060 -4.516 4.569 1.00 0.00 C ATOM 867 CG TRP A 909 -6.853 -4.339 3.091 1.00 0.00 C ATOM 868 CD1 TRP A 909 -7.692 -4.755 2.106 1.00 0.00 C ATOM 869 CD2 TRP A 909 -5.745 -3.701 2.429 1.00 0.00 C ATOM 870 NE1 TRP A 909 -7.186 -4.414 0.884 1.00 0.00 N ATOM 871 CE2 TRP A 909 -5.994 -3.768 1.055 1.00 0.00 C ATOM 872 CE3 TRP A 909 -4.574 -3.081 2.866 1.00 0.00 C ATOM 873 CZ2 TRP A 909 -5.120 -3.240 0.121 1.00 0.00 C ATOM 874 CZ3 TRP A 909 -3.706 -2.560 1.934 1.00 0.00 C ATOM 875 CH2 TRP A 909 -3.985 -2.639 0.576 1.00 0.00 C ATOM 0 H TRP A 909 -6.456 -5.250 7.161 1.00 0.00 H new ATOM 0 HA TRP A 909 -6.708 -6.630 4.570 1.00 0.00 H new ATOM 0 HB2 TRP A 909 -8.130 -4.562 4.771 1.00 0.00 H new ATOM 0 HB3 TRP A 909 -6.675 -3.637 5.086 1.00 0.00 H new ATOM 0 HD1 TRP A 909 -8.623 -5.279 2.266 1.00 0.00 H new ATOM 0 HE1 TRP A 909 -7.628 -4.610 -0.014 1.00 0.00 H new ATOM 0 HE3 TRP A 909 -4.352 -3.011 3.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 -5.331 -3.302 -0.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 -2.795 -2.083 2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 909 -3.289 -2.216 -0.133 1.00 0.00 H new ATOM 886 N PHE A 910 -4.336 -6.563 4.327 1.00 0.00 N ATOM 887 CA PHE A 910 -2.932 -6.602 4.083 1.00 0.00 C ATOM 888 C PHE A 910 -2.753 -6.491 2.598 1.00 0.00 C ATOM 889 O PHE A 910 -3.534 -7.085 1.832 1.00 0.00 O ATOM 890 CB PHE A 910 -2.321 -7.908 4.618 1.00 0.00 C ATOM 891 CG PHE A 910 -2.568 -8.114 6.090 1.00 0.00 C ATOM 892 CD1 PHE A 910 -1.764 -7.497 7.036 1.00 0.00 C ATOM 893 CD2 PHE A 910 -3.620 -8.908 6.527 1.00 0.00 C ATOM 894 CE1 PHE A 910 -2.010 -7.665 8.386 1.00 0.00 C ATOM 895 CE2 PHE A 910 -3.863 -9.083 7.871 1.00 0.00 C ATOM 896 CZ PHE A 910 -3.061 -8.460 8.802 1.00 0.00 C ATOM 0 H PHE A 910 -4.853 -7.313 3.868 1.00 0.00 H new ATOM 0 HA PHE A 910 -2.422 -5.787 4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 910 -2.736 -8.750 4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 910 -1.247 -7.903 4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 910 -0.938 -6.879 6.715 1.00 0.00 H new ATOM 0 HD2 PHE A 910 -4.256 -9.395 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 910 -1.381 -7.175 9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 910 -4.682 -9.708 8.195 1.00 0.00 H new ATOM 0 HZ PHE A 910 -3.254 -8.593 9.856 1.00 0.00 H new ATOM 906 N CYS A 911 -1.783 -5.724 2.190 1.00 0.00 N ATOM 907 CA CYS A 911 -1.553 -5.461 0.798 1.00 0.00 C ATOM 908 C CYS A 911 -1.114 -6.729 0.049 1.00 0.00 C ATOM 909 O CYS A 911 -0.661 -7.699 0.677 1.00 0.00 O ATOM 910 CB CYS A 911 -0.491 -4.375 0.681 1.00 0.00 C ATOM 911 SG CYS A 911 1.142 -4.810 1.321 1.00 0.00 S ATOM 0 H CYS A 911 -1.125 -5.261 2.817 1.00 0.00 H new ATOM 0 HA CYS A 911 -2.483 -5.127 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 911 -0.389 -4.103 -0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 911 -0.844 -3.488 1.208 1.00 0.00 H new ATOM 916 N PRO A 912 -1.222 -6.738 -1.303 1.00 0.00 N ATOM 917 CA PRO A 912 -0.785 -7.866 -2.138 1.00 0.00 C ATOM 918 C PRO A 912 0.705 -8.216 -1.943 1.00 0.00 C ATOM 919 O PRO A 912 1.147 -9.294 -2.308 1.00 0.00 O ATOM 920 CB PRO A 912 -1.034 -7.371 -3.579 1.00 0.00 C ATOM 921 CG PRO A 912 -1.191 -5.894 -3.457 1.00 0.00 C ATOM 922 CD PRO A 912 -1.830 -5.678 -2.126 1.00 0.00 C ATOM 0 HA PRO A 912 -1.323 -8.780 -1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 912 -0.201 -7.627 -4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 912 -1.927 -7.829 -4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 912 -0.227 -5.389 -3.518 1.00 0.00 H new ATOM 0 HG3 PRO A 912 -1.811 -5.496 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 912 -1.617 -4.685 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 912 -2.914 -5.775 -2.176 1.00 0.00 H new ATOM 930 N LYS A 913 1.465 -7.307 -1.346 1.00 0.00 N ATOM 931 CA LYS A 913 2.865 -7.550 -1.114 1.00 0.00 C ATOM 932 C LYS A 913 3.054 -8.337 0.170 1.00 0.00 C ATOM 933 O LYS A 913 3.737 -9.371 0.177 1.00 0.00 O ATOM 934 CB LYS A 913 3.668 -6.246 -1.122 1.00 0.00 C ATOM 935 CG LYS A 913 3.555 -5.431 -2.432 1.00 0.00 C ATOM 936 CD LYS A 913 4.344 -5.990 -3.645 1.00 0.00 C ATOM 937 CE LYS A 913 3.907 -7.389 -4.083 1.00 0.00 C ATOM 938 NZ LYS A 913 4.348 -7.720 -5.447 1.00 0.00 N ATOM 0 H LYS A 913 1.129 -6.402 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 913 3.255 -8.155 -1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 913 3.334 -5.624 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 913 4.718 -6.479 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 913 2.502 -5.365 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 913 3.898 -4.415 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 913 4.230 -5.306 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 913 5.405 -6.014 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 913 4.309 -8.125 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 913 2.821 -7.459 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 4.026 -8.678 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 3.944 -7.036 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 5.386 -7.681 -5.495 1.00 0.00 H new ATOM 952 N CYS A 914 2.408 -7.896 1.237 1.00 0.00 N ATOM 953 CA CYS A 914 2.462 -8.618 2.481 1.00 0.00 C ATOM 954 C CYS A 914 1.724 -9.947 2.375 1.00 0.00 C ATOM 955 O CYS A 914 2.212 -10.968 2.849 1.00 0.00 O ATOM 956 CB CYS A 914 1.927 -7.766 3.636 1.00 0.00 C ATOM 957 SG CYS A 914 3.013 -6.382 4.108 1.00 0.00 S ATOM 0 H CYS A 914 1.845 -7.046 1.259 1.00 0.00 H new ATOM 0 HA CYS A 914 3.507 -8.841 2.697 1.00 0.00 H new ATOM 0 HB2 CYS A 914 0.951 -7.369 3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 914 1.775 -8.406 4.505 1.00 0.00 H new ATOM 962 N ALA A 915 0.592 -9.939 1.695 1.00 0.00 N ATOM 963 CA ALA A 915 -0.210 -11.142 1.521 1.00 0.00 C ATOM 964 C ALA A 915 0.562 -12.214 0.761 1.00 0.00 C ATOM 965 O ALA A 915 0.383 -13.404 1.006 1.00 0.00 O ATOM 966 CB ALA A 915 -1.518 -10.819 0.817 1.00 0.00 C ATOM 0 H ALA A 915 0.203 -9.108 1.250 1.00 0.00 H new ATOM 0 HA ALA A 915 -0.441 -11.536 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 915 -2.102 -11.732 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 915 -2.084 -10.102 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 915 -1.308 -10.392 -0.163 1.00 0.00 H new ATOM 972 N ASN A 916 1.440 -11.777 -0.124 1.00 0.00 N ATOM 973 CA ASN A 916 2.270 -12.675 -0.920 1.00 0.00 C ATOM 974 C ASN A 916 3.220 -13.475 -0.039 1.00 0.00 C ATOM 975 O ASN A 916 3.388 -14.682 -0.217 1.00 0.00 O ATOM 976 CB ASN A 916 3.081 -11.875 -1.940 1.00 0.00 C ATOM 977 CG ASN A 916 3.925 -12.753 -2.844 1.00 0.00 C ATOM 978 OD1 ASN A 916 5.090 -13.048 -2.553 1.00 0.00 O ATOM 979 ND2 ASN A 916 3.356 -13.157 -3.934 1.00 0.00 N ATOM 0 H ASN A 916 1.601 -10.788 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 916 1.608 -13.369 -1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 916 2.402 -11.281 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 916 3.730 -11.176 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 916 3.871 -13.742 -4.592 1.00 0.00 H new ATOM 0 HD22 ASN A 916 2.392 -12.890 -4.135 1.00 0.00 H new ATOM 986 N LYS A 917 3.829 -12.800 0.915 1.00 0.00 N ATOM 987 CA LYS A 917 4.792 -13.444 1.785 1.00 0.00 C ATOM 988 C LYS A 917 4.103 -14.246 2.887 1.00 0.00 C ATOM 989 O LYS A 917 4.623 -15.287 3.317 1.00 0.00 O ATOM 990 CB LYS A 917 5.816 -12.451 2.357 1.00 0.00 C ATOM 991 CG LYS A 917 5.260 -11.421 3.306 1.00 0.00 C ATOM 992 CD LYS A 917 6.331 -10.459 3.772 1.00 0.00 C ATOM 993 CE LYS A 917 5.766 -9.493 4.785 1.00 0.00 C ATOM 994 NZ LYS A 917 6.739 -8.469 5.197 1.00 0.00 N ATOM 0 H LYS A 917 3.675 -11.810 1.107 1.00 0.00 H new ATOM 0 HA LYS A 917 5.352 -14.149 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 917 6.593 -13.014 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 917 6.297 -11.933 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 917 4.461 -10.866 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 917 4.818 -11.920 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 917 7.160 -11.013 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 917 6.731 -9.910 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 917 4.887 -9.005 4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 917 5.434 -10.047 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 6.300 -7.833 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 7.568 -8.930 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 7.038 -7.920 4.366 1.00 0.00 H new ATOM 1008 N ILE A 918 2.945 -13.759 3.345 1.00 0.00 N ATOM 1009 CA ILE A 918 2.124 -14.489 4.315 1.00 0.00 C ATOM 1010 C ILE A 918 1.700 -15.794 3.669 1.00 0.00 C ATOM 1011 O ILE A 918 1.843 -16.885 4.253 1.00 0.00 O ATOM 1012 CB ILE A 918 0.845 -13.684 4.719 1.00 0.00 C ATOM 1013 CG1 ILE A 918 1.226 -12.364 5.396 1.00 0.00 C ATOM 1014 CG2 ILE A 918 -0.055 -14.509 5.638 1.00 0.00 C ATOM 1015 CD1 ILE A 918 0.044 -11.465 5.724 1.00 0.00 C ATOM 0 H ILE A 918 2.555 -12.861 3.059 1.00 0.00 H new ATOM 0 HA ILE A 918 2.709 -14.655 5.219 1.00 0.00 H new ATOM 0 HB ILE A 918 0.291 -13.460 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 918 1.767 -12.584 6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 918 1.912 -11.820 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -0.937 -13.926 5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -0.364 -15.419 5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 918 0.492 -14.772 6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 918 0.402 -10.553 6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -0.486 -11.211 4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -0.633 -11.986 6.401 1.00 0.00 H new ATOM 1027 N LYS A 919 1.227 -15.652 2.436 1.00 0.00 N ATOM 1028 CA LYS A 919 0.802 -16.706 1.588 1.00 0.00 C ATOM 1029 C LYS A 919 -0.321 -17.529 2.277 1.00 0.00 C ATOM 1030 O LYS A 919 -1.091 -16.957 3.072 1.00 0.00 O ATOM 1031 CB LYS A 919 2.026 -17.513 1.162 1.00 0.00 C ATOM 1032 CG LYS A 919 1.847 -18.259 -0.135 1.00 0.00 C ATOM 1033 CD LYS A 919 3.117 -18.972 -0.547 1.00 0.00 C ATOM 1034 CE LYS A 919 2.897 -19.810 -1.792 1.00 0.00 C ATOM 1035 NZ LYS A 919 1.900 -20.887 -1.572 1.00 0.00 N ATOM 0 H LYS A 919 1.134 -14.736 1.997 1.00 0.00 H new ATOM 0 HA LYS A 919 0.347 -16.328 0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 919 2.878 -16.839 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 919 2.270 -18.227 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 919 1.040 -18.984 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 919 1.550 -17.562 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 919 3.904 -18.241 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 919 3.460 -19.610 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 919 2.562 -19.167 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 919 3.844 -20.251 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 1.997 -21.607 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 2.062 -21.325 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 0.942 -20.484 -1.603 1.00 0.00 H new ATOM 1049 N LYS A 920 -0.445 -18.838 1.959 1.00 0.00 N ATOM 1050 CA LYS A 920 -1.529 -19.687 2.407 1.00 0.00 C ATOM 1051 C LYS A 920 -2.888 -19.093 2.072 1.00 0.00 C ATOM 1052 O LYS A 920 -3.916 -19.388 2.711 1.00 0.00 O ATOM 1053 CB LYS A 920 -1.392 -20.054 3.859 1.00 0.00 C ATOM 1054 CG LYS A 920 -0.149 -20.862 4.150 1.00 0.00 C ATOM 1055 CD LYS A 920 -0.111 -21.361 5.572 1.00 0.00 C ATOM 1056 CE LYS A 920 1.114 -22.232 5.804 1.00 0.00 C ATOM 1057 NZ LYS A 920 1.133 -23.429 4.918 1.00 0.00 N ATOM 0 H LYS A 920 0.230 -19.326 1.370 1.00 0.00 H new ATOM 0 HA LYS A 920 -1.460 -20.622 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 920 -1.375 -19.143 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 920 -2.269 -20.623 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 920 -0.102 -21.711 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 920 0.733 -20.250 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 920 -0.097 -20.515 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 920 -1.015 -21.931 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 920 2.014 -21.642 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 920 1.137 -22.553 6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 1.780 -24.142 5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 0.175 -23.829 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 1.458 -23.153 3.969 1.00 0.00 H new ATOM 1071 N ASP A 921 -2.878 -18.303 1.025 1.00 0.00 N ATOM 1072 CA ASP A 921 -4.042 -17.667 0.514 1.00 0.00 C ATOM 1073 C ASP A 921 -4.760 -18.658 -0.338 1.00 0.00 C ATOM 1074 O ASP A 921 -4.201 -19.200 -1.295 1.00 0.00 O ATOM 1075 CB ASP A 921 -3.659 -16.422 -0.285 1.00 0.00 C ATOM 1076 CG ASP A 921 -4.846 -15.727 -0.912 1.00 0.00 C ATOM 1077 OD1 ASP A 921 -5.666 -15.150 -0.181 1.00 0.00 O ATOM 1078 OD2 ASP A 921 -4.944 -15.708 -2.160 1.00 0.00 O ATOM 0 H ASP A 921 -2.031 -18.087 0.499 1.00 0.00 H new ATOM 0 HA ASP A 921 -4.691 -17.339 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 921 -3.142 -15.722 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 921 -2.956 -16.703 -1.069 1.00 0.00 H new ATOM 1083 N LYS A 922 -5.925 -18.977 0.072 1.00 0.00 N ATOM 1084 CA LYS A 922 -6.736 -19.924 -0.576 1.00 0.00 C ATOM 1085 C LYS A 922 -8.156 -19.387 -0.630 1.00 0.00 C ATOM 1086 O LYS A 922 -8.883 -19.616 -1.604 1.00 0.00 O ATOM 1087 CB LYS A 922 -6.601 -21.271 0.183 1.00 0.00 C ATOM 1088 CG LYS A 922 -7.470 -22.425 -0.304 1.00 0.00 C ATOM 1089 CD LYS A 922 -8.882 -22.387 0.274 1.00 0.00 C ATOM 1090 CE LYS A 922 -8.876 -22.631 1.777 1.00 0.00 C ATOM 1091 NZ LYS A 922 -10.209 -22.462 2.376 1.00 0.00 N ATOM 0 H LYS A 922 -6.356 -18.568 0.901 1.00 0.00 H new ATOM 0 HA LYS A 922 -6.431 -20.104 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 922 -5.559 -21.586 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 922 -6.830 -21.093 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 922 -7.527 -22.397 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 922 -6.997 -23.369 -0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 922 -9.337 -21.419 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 922 -9.497 -23.142 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 922 -8.515 -23.640 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 922 -8.177 -21.942 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 -10.155 -22.638 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 -10.544 -21.492 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 -10.872 -23.136 1.943 1.00 0.00 H new ATOM 1105 N LYS A 923 -8.557 -18.662 0.409 1.00 0.00 N ATOM 1106 CA LYS A 923 -9.866 -18.073 0.423 1.00 0.00 C ATOM 1107 C LYS A 923 -9.862 -16.796 1.259 1.00 0.00 C ATOM 1108 O LYS A 923 -9.053 -16.640 2.191 1.00 0.00 O ATOM 1109 CB LYS A 923 -10.910 -19.059 0.973 1.00 0.00 C ATOM 1110 CG LYS A 923 -12.353 -18.647 0.711 1.00 0.00 C ATOM 1111 CD LYS A 923 -12.649 -18.668 -0.778 1.00 0.00 C ATOM 1112 CE LYS A 923 -14.072 -18.248 -1.095 1.00 0.00 C ATOM 1113 NZ LYS A 923 -14.293 -18.169 -2.555 1.00 0.00 N ATOM 0 H LYS A 923 -7.992 -18.477 1.238 1.00 0.00 H new ATOM 0 HA LYS A 923 -10.136 -17.827 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 923 -10.737 -20.040 0.529 1.00 0.00 H new ATOM 0 HB3 LYS A 923 -10.763 -19.165 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 923 -13.031 -19.323 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 923 -12.530 -17.648 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 923 -11.955 -18.004 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 923 -12.475 -19.672 -1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 923 -14.771 -18.961 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 923 -14.278 -17.279 -0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 -15.274 -17.880 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 -13.641 -17.471 -2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 -14.119 -19.101 -2.983 1.00 0.00 H new ATOM 1127 N HIS A 924 -10.738 -15.900 0.906 1.00 0.00 N ATOM 1128 CA HIS A 924 -10.940 -14.665 1.601 1.00 0.00 C ATOM 1129 C HIS A 924 -12.417 -14.572 1.930 1.00 0.00 C ATOM 1130 O HIS A 924 -13.183 -14.055 1.096 1.00 0.00 O ATOM 1131 CB HIS A 924 -10.484 -13.494 0.708 1.00 0.00 C ATOM 1132 CG HIS A 924 -10.712 -12.105 1.262 1.00 0.00 C ATOM 1133 ND1 HIS A 924 -9.942 -11.546 2.263 1.00 0.00 N ATOM 1134 CD2 HIS A 924 -11.615 -11.149 0.918 1.00 0.00 C ATOM 1135 CE1 HIS A 924 -10.353 -10.319 2.503 1.00 0.00 C ATOM 1136 NE2 HIS A 924 -11.362 -10.053 1.704 1.00 0.00 N ATOM 1137 OXT HIS A 924 -12.824 -15.083 2.990 1.00 0.00 O ATOM 0 H HIS A 924 -11.351 -16.015 0.099 1.00 0.00 H new ATOM 0 HA HIS A 924 -10.357 -14.620 2.521 1.00 0.00 H new ATOM 0 HB2 HIS A 924 -9.420 -13.612 0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 924 -11.001 -13.571 -0.249 1.00 0.00 H new ATOM 0 HD2 HIS A 924 -12.387 -11.236 0.167 1.00 0.00 H new ATOM 0 HE1 HIS A 924 -9.932 -9.644 3.234 1.00 0.00 H new ATOM 0 HE2 HIS A 924 -11.875 -9.172 1.673 1.00 0.00 H new TER 1146 HIS A 924 HETATM 1147 ZN ZN A 940 1.799 -4.453 3.400 1.00 0.00 ZN HETATM 1148 ZN ZN A 941 -1.564 1.575 -7.613 1.00 0.00 ZN