USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 753 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 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 174:sc= 0.729 USER MOD Set 1.2: A 95 ASN : amide:sc= -1.63 K(o=-0.9,f=-9.4!) USER MOD Set 2.1: A 21 CYS SG : rot 50:sc= -2.28! USER MOD Set 2.2: A 24 CYS SG : rot 79:sc= 0.511 USER MOD Set 2.3: A 51 HIS : no HD1:sc= -0.116 K(o=-1.9,f=-3.1) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0794 (180deg=-0.465) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0411 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.33 USER MOD Single : A 3 MET CE :methyl -165:sc= -0.0735 (180deg=-0.431) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= 0.194 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.304 USER MOD Single : A 33 HIS : no HE2:sc= 0.373 K(o=0.37,f=-6!) USER MOD Single : A 39 THR OG1 : rot -150:sc= -0.0941 USER MOD Single : A 42 HIS : no HD1:sc= 0.863 K(o=0.86,f=-2.8!) USER MOD Single : A 45 CYS SG : rot -80:sc= -2.5! USER MOD Single : A 46 CYS SG : rot -131:sc= 0.645 USER MOD Single : A 49 SER OG : rot 150:sc= 0.817 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.14) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -163:sc= 0.47 USER MOD Single : A 79 TYR OH : rot -140:sc= -0.984! USER MOD Single : A 84 MET CE :methyl 166:sc= -0.0726 (180deg=-0.432) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -160:sc= -0.22 (180deg=-1.01) USER MOD Single : A 92 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.419 -0.785 -1.607 1.00 0.00 N ATOM 2 CA MET A 1 5.191 -1.162 -0.877 1.00 0.00 C ATOM 3 C MET A 1 4.491 -2.308 -1.595 1.00 0.00 C ATOM 4 O MET A 1 4.529 -2.396 -2.821 1.00 0.00 O ATOM 5 CB MET A 1 4.249 0.041 -0.764 1.00 0.00 C ATOM 6 CG MET A 1 3.048 -0.206 0.135 1.00 0.00 C ATOM 7 SD MET A 1 1.948 1.219 0.239 1.00 0.00 S ATOM 8 CE MET A 1 1.319 1.288 -1.438 1.00 0.00 C ATOM 0 H1 MET A 1 7.253 -1.050 -1.045 1.00 0.00 H new ATOM 0 H2 MET A 1 6.446 -1.281 -2.521 1.00 0.00 H new ATOM 0 H3 MET A 1 6.424 0.242 -1.770 1.00 0.00 H new ATOM 0 HA MET A 1 5.465 -1.486 0.127 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.808 0.895 -0.382 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.897 0.311 -1.760 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.490 -1.064 -0.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.396 -0.465 1.135 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.411 1.890 -1.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.069 1.737 -2.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.094 0.279 -1.784 1.00 0.00 H new ATOM 20 N THR A 2 3.868 -3.191 -0.831 1.00 0.00 N ATOM 21 CA THR A 2 3.149 -4.313 -1.402 1.00 0.00 C ATOM 22 C THR A 2 1.810 -4.496 -0.683 1.00 0.00 C ATOM 23 O THR A 2 1.399 -3.635 0.097 1.00 0.00 O ATOM 24 CB THR A 2 3.997 -5.605 -1.328 1.00 0.00 C ATOM 25 OG1 THR A 2 3.370 -6.666 -2.063 1.00 0.00 O ATOM 26 CG2 THR A 2 4.210 -6.039 0.115 1.00 0.00 C ATOM 0 H THR A 2 3.847 -3.150 0.188 1.00 0.00 H new ATOM 0 HA THR A 2 2.954 -4.104 -2.454 1.00 0.00 H new ATOM 0 HB THR A 2 4.968 -5.387 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.922 -7.474 -2.006 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.809 -6.949 0.136 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.729 -5.250 0.659 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.245 -6.229 0.584 1.00 0.00 H new ATOM 34 N MET A 3 1.138 -5.608 -0.945 1.00 0.00 N ATOM 35 CA MET A 3 -0.185 -5.858 -0.386 1.00 0.00 C ATOM 36 C MET A 3 -0.087 -6.364 1.048 1.00 0.00 C ATOM 37 O MET A 3 0.874 -7.047 1.413 1.00 0.00 O ATOM 38 CB MET A 3 -0.938 -6.880 -1.240 1.00 0.00 C ATOM 39 CG MET A 3 -1.036 -6.500 -2.709 1.00 0.00 C ATOM 40 SD MET A 3 -1.803 -4.887 -2.969 1.00 0.00 S ATOM 41 CE MET A 3 -3.418 -5.154 -2.242 1.00 0.00 C ATOM 0 H MET A 3 1.489 -6.355 -1.544 1.00 0.00 H new ATOM 0 HA MET A 3 -0.731 -4.915 -0.385 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.440 -7.846 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.944 -7.004 -0.839 1.00 0.00 H new ATOM 0 HG2 MET A 3 -0.037 -6.496 -3.145 1.00 0.00 H new ATOM 0 HG3 MET A 3 -1.612 -7.260 -3.238 1.00 0.00 H new ATOM 0 HE1 MET A 3 -4.094 -4.358 -2.554 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.812 -6.115 -2.573 1.00 0.00 H new ATOM 0 HE3 MET A 3 -3.333 -5.152 -1.155 1.00 0.00 H new ATOM 51 N GLY A 4 -1.083 -6.018 1.856 1.00 0.00 N ATOM 52 CA GLY A 4 -1.124 -6.473 3.232 1.00 0.00 C ATOM 53 C GLY A 4 -1.322 -7.974 3.339 1.00 0.00 C ATOM 54 O GLY A 4 -2.031 -8.578 2.532 1.00 0.00 O ATOM 0 H GLY A 4 -1.867 -5.427 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.196 -6.195 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.933 -5.964 3.756 1.00 0.00 H new ATOM 58 N CYS A 5 -0.695 -8.576 4.337 1.00 0.00 N ATOM 59 CA CYS A 5 -0.781 -10.018 4.532 1.00 0.00 C ATOM 60 C CYS A 5 -1.845 -10.352 5.579 1.00 0.00 C ATOM 61 O CYS A 5 -2.287 -9.470 6.317 1.00 0.00 O ATOM 62 CB CYS A 5 0.580 -10.571 4.952 1.00 0.00 C ATOM 63 SG CYS A 5 1.192 -9.914 6.535 1.00 0.00 S ATOM 0 H CYS A 5 -0.120 -8.090 5.026 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.071 -10.484 3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.513 -11.657 5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.308 -10.347 4.172 1.00 0.00 H new ATOM 68 N ARG A 6 -2.246 -11.622 5.652 1.00 0.00 N ATOM 69 CA ARG A 6 -3.309 -12.053 6.568 1.00 0.00 C ATOM 70 C ARG A 6 -2.936 -11.823 8.033 1.00 0.00 C ATOM 71 O ARG A 6 -3.808 -11.795 8.903 1.00 0.00 O ATOM 72 CB ARG A 6 -3.665 -13.524 6.329 1.00 0.00 C ATOM 73 CG ARG A 6 -2.505 -14.489 6.510 1.00 0.00 C ATOM 74 CD ARG A 6 -2.836 -15.862 5.949 1.00 0.00 C ATOM 75 NE ARG A 6 -3.143 -15.801 4.520 1.00 0.00 N ATOM 76 CZ ARG A 6 -3.174 -16.857 3.709 1.00 0.00 C ATOM 77 NH1 ARG A 6 -2.896 -18.069 4.172 1.00 0.00 N ATOM 78 NH2 ARG A 6 -3.469 -16.695 2.426 1.00 0.00 N ATOM 0 H ARG A 6 -1.851 -12.374 5.087 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.184 -11.439 6.356 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.466 -13.807 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.056 -13.631 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.620 -14.094 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.263 -14.575 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.994 -16.535 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.687 -16.280 6.487 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.347 -14.887 4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.656 -18.197 5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.922 -18.873 3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.671 -15.764 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.493 -17.502 1.802 1.00 0.00 H new ATOM 92 N HIS A 7 -1.643 -11.646 8.302 1.00 0.00 N ATOM 93 CA HIS A 7 -1.179 -11.274 9.641 1.00 0.00 C ATOM 94 C HIS A 7 -1.814 -9.959 10.090 1.00 0.00 C ATOM 95 O HIS A 7 -1.929 -9.692 11.284 1.00 0.00 O ATOM 96 CB HIS A 7 0.347 -11.150 9.689 1.00 0.00 C ATOM 97 CG HIS A 7 1.066 -12.449 9.509 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.210 -12.537 8.754 1.00 0.00 N ATOM 99 CD2 HIS A 7 0.768 -13.675 10.005 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.576 -13.803 8.802 1.00 0.00 C ATOM 101 NE2 HIS A 7 1.736 -14.529 9.548 1.00 0.00 N ATOM 0 H HIS A 7 -0.898 -11.754 7.613 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.484 -12.069 10.321 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.670 -10.456 8.913 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.637 -10.715 10.646 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.070 -13.929 10.637 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.445 -14.204 8.302 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.804 -15.528 9.740 1.00 0.00 H new ATOM 109 N VAL A 8 -2.215 -9.137 9.120 1.00 0.00 N ATOM 110 CA VAL A 8 -2.869 -7.862 9.399 1.00 0.00 C ATOM 111 C VAL A 8 -4.150 -8.068 10.214 1.00 0.00 C ATOM 112 O VAL A 8 -4.554 -7.200 10.987 1.00 0.00 O ATOM 113 CB VAL A 8 -3.164 -7.085 8.086 1.00 0.00 C ATOM 114 CG1 VAL A 8 -4.650 -6.828 7.886 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.398 -5.775 8.070 1.00 0.00 C ATOM 0 H VAL A 8 -2.096 -9.336 8.127 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.184 -7.260 9.996 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.832 -7.712 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.803 -6.282 6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.181 -7.779 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.033 -6.238 8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.613 -5.239 7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.702 -5.166 8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.329 -5.978 8.132 1.00 0.00 H new ATOM 125 N ALA A 9 -4.784 -9.223 10.044 1.00 0.00 N ATOM 126 CA ALA A 9 -5.993 -9.539 10.790 1.00 0.00 C ATOM 127 C ALA A 9 -5.676 -9.783 12.265 1.00 0.00 C ATOM 128 O ALA A 9 -6.562 -9.733 13.119 1.00 0.00 O ATOM 129 CB ALA A 9 -6.690 -10.748 10.188 1.00 0.00 C ATOM 0 H ALA A 9 -4.481 -9.952 9.398 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.665 -8.683 10.725 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.592 -10.970 10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.958 -10.535 9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.020 -11.607 10.220 1.00 0.00 H new ATOM 135 N GLY A 10 -4.405 -10.032 12.555 1.00 0.00 N ATOM 136 CA GLY A 10 -3.987 -10.293 13.918 1.00 0.00 C ATOM 137 C GLY A 10 -3.554 -9.036 14.648 1.00 0.00 C ATOM 138 O GLY A 10 -3.385 -9.049 15.867 1.00 0.00 O ATOM 0 H GLY A 10 -3.653 -10.058 11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.808 -10.760 14.462 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.163 -11.006 13.911 1.00 0.00 H new ATOM 142 N ILE A 11 -3.365 -7.950 13.909 1.00 0.00 N ATOM 143 CA ILE A 11 -2.976 -6.683 14.516 1.00 0.00 C ATOM 144 C ILE A 11 -4.183 -5.771 14.666 1.00 0.00 C ATOM 145 O ILE A 11 -5.150 -5.869 13.910 1.00 0.00 O ATOM 146 CB ILE A 11 -1.883 -5.946 13.710 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.377 -5.625 12.297 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.615 -6.782 13.667 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.427 -4.768 11.488 1.00 0.00 C ATOM 0 H ILE A 11 -3.474 -7.920 12.895 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.564 -6.925 15.495 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.657 -5.002 14.206 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.550 -6.560 11.763 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.338 -5.116 12.367 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.150 -6.254 13.097 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.257 -6.953 14.682 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.826 -7.739 13.191 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.851 -4.587 10.501 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.273 -3.816 11.997 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.472 -5.283 11.384 1.00 0.00 H new ATOM 161 N ARG A 12 -4.123 -4.892 15.649 1.00 0.00 N ATOM 162 CA ARG A 12 -5.216 -3.973 15.919 1.00 0.00 C ATOM 163 C ARG A 12 -4.677 -2.565 16.122 1.00 0.00 C ATOM 164 O ARG A 12 -3.464 -2.348 16.071 1.00 0.00 O ATOM 165 CB ARG A 12 -6.032 -4.422 17.146 1.00 0.00 C ATOM 166 CG ARG A 12 -5.303 -4.329 18.486 1.00 0.00 C ATOM 167 CD ARG A 12 -4.200 -5.368 18.624 1.00 0.00 C ATOM 168 NE ARG A 12 -4.681 -6.724 18.358 1.00 0.00 N ATOM 169 CZ ARG A 12 -4.211 -7.815 18.961 1.00 0.00 C ATOM 170 NH1 ARG A 12 -3.252 -7.717 19.876 1.00 0.00 N ATOM 171 NH2 ARG A 12 -4.705 -9.005 18.646 1.00 0.00 N ATOM 0 H ARG A 12 -3.325 -4.794 16.277 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.884 -3.975 15.057 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.937 -3.817 17.201 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.347 -5.454 16.994 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.874 -3.333 18.594 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.021 -4.457 19.296 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.390 -5.130 17.934 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.785 -5.323 19.631 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.423 -6.841 17.668 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.872 -6.803 20.120 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.896 -8.556 20.334 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.442 -9.082 17.945 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.348 -9.843 19.105 1.00 0.00 H new ATOM 185 N THR A 13 -5.570 -1.608 16.327 1.00 0.00 N ATOM 186 CA THR A 13 -5.163 -0.256 16.656 1.00 0.00 C ATOM 187 C THR A 13 -4.766 -0.197 18.125 1.00 0.00 C ATOM 188 O THR A 13 -5.614 -0.243 19.016 1.00 0.00 O ATOM 189 CB THR A 13 -6.283 0.764 16.364 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.665 0.685 14.982 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.825 2.180 16.682 1.00 0.00 C ATOM 0 H THR A 13 -6.579 -1.745 16.271 1.00 0.00 H new ATOM 0 HA THR A 13 -4.311 0.010 16.030 1.00 0.00 H new ATOM 0 HB THR A 13 -7.137 0.523 16.997 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.378 1.333 14.802 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.632 2.880 16.468 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.556 2.247 17.736 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.958 2.428 16.070 1.00 0.00 H new ATOM 199 N VAL A 14 -3.470 -0.139 18.365 1.00 0.00 N ATOM 200 CA VAL A 14 -2.936 -0.199 19.715 1.00 0.00 C ATOM 201 C VAL A 14 -2.722 1.198 20.287 1.00 0.00 C ATOM 202 O VAL A 14 -2.956 2.197 19.611 1.00 0.00 O ATOM 203 CB VAL A 14 -1.603 -0.978 19.740 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.834 -2.439 19.393 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.597 -0.357 18.780 1.00 0.00 C ATOM 0 H VAL A 14 -2.761 -0.050 17.637 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.667 -0.720 20.333 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.194 -0.921 20.749 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.884 -2.973 19.415 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.516 -2.882 20.119 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.268 -2.512 18.396 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.335 -0.922 18.814 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.999 -0.380 17.767 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.406 0.676 19.071 1.00 0.00 H new ATOM 215 N THR A 15 -2.299 1.256 21.538 1.00 0.00 N ATOM 216 CA THR A 15 -1.956 2.516 22.171 1.00 0.00 C ATOM 217 C THR A 15 -0.491 2.495 22.605 1.00 0.00 C ATOM 218 O THR A 15 -0.075 1.608 23.354 1.00 0.00 O ATOM 219 CB THR A 15 -2.856 2.795 23.393 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.238 2.797 23.001 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.513 4.134 24.033 1.00 0.00 C ATOM 0 H THR A 15 -2.185 0.439 22.138 1.00 0.00 H new ATOM 0 HA THR A 15 -2.114 3.313 21.444 1.00 0.00 H new ATOM 0 HB THR A 15 -2.682 2.004 24.122 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.800 2.973 23.784 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.163 4.304 24.891 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.474 4.125 24.361 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.657 4.933 23.305 1.00 0.00 H new ATOM 229 N PRO A 16 0.308 3.461 22.123 1.00 0.00 N ATOM 230 CA PRO A 16 1.738 3.540 22.437 1.00 0.00 C ATOM 231 C PRO A 16 1.991 3.703 23.932 1.00 0.00 C ATOM 232 O PRO A 16 1.532 4.666 24.550 1.00 0.00 O ATOM 233 CB PRO A 16 2.215 4.786 21.681 1.00 0.00 C ATOM 234 CG PRO A 16 1.171 5.042 20.649 1.00 0.00 C ATOM 235 CD PRO A 16 -0.120 4.555 21.236 1.00 0.00 C ATOM 0 HA PRO A 16 2.263 2.629 22.149 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.321 5.638 22.353 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.189 4.619 21.222 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.114 6.103 20.407 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.401 4.516 19.723 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.635 5.342 21.787 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.806 4.204 20.465 1.00 0.00 H new ATOM 243 N SER A 17 2.702 2.749 24.517 1.00 0.00 N ATOM 244 CA SER A 17 3.033 2.812 25.933 1.00 0.00 C ATOM 245 C SER A 17 4.208 3.761 26.164 1.00 0.00 C ATOM 246 O SER A 17 4.381 4.300 27.257 1.00 0.00 O ATOM 247 CB SER A 17 3.357 1.416 26.474 1.00 0.00 C ATOM 248 OG SER A 17 3.515 1.437 27.885 1.00 0.00 O ATOM 0 H SER A 17 3.060 1.925 24.034 1.00 0.00 H new ATOM 0 HA SER A 17 2.167 3.196 26.472 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.559 0.724 26.205 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.270 1.045 26.008 1.00 0.00 H new ATOM 0 HG SER A 17 3.720 0.534 28.205 1.00 0.00 H new ATOM 254 N ALA A 18 4.997 3.979 25.124 1.00 0.00 N ATOM 255 CA ALA A 18 6.143 4.868 25.208 1.00 0.00 C ATOM 256 C ALA A 18 6.088 5.886 24.081 1.00 0.00 C ATOM 257 O ALA A 18 5.563 5.594 23.007 1.00 0.00 O ATOM 258 CB ALA A 18 7.442 4.073 25.153 1.00 0.00 C ATOM 0 H ALA A 18 4.863 3.550 24.208 1.00 0.00 H new ATOM 0 HA ALA A 18 6.112 5.397 26.161 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.289 4.756 25.217 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.476 3.373 25.988 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.491 3.521 24.214 1.00 0.00 H new ATOM 264 N LEU A 19 6.600 7.079 24.339 1.00 0.00 N ATOM 265 CA LEU A 19 6.628 8.131 23.330 1.00 0.00 C ATOM 266 C LEU A 19 7.781 7.881 22.368 1.00 0.00 C ATOM 267 O LEU A 19 7.572 7.554 21.202 1.00 0.00 O ATOM 268 CB LEU A 19 6.770 9.520 23.977 1.00 0.00 C ATOM 269 CG LEU A 19 5.567 10.018 24.794 1.00 0.00 C ATOM 270 CD1 LEU A 19 5.383 9.207 26.067 1.00 0.00 C ATOM 271 CD2 LEU A 19 5.735 11.488 25.138 1.00 0.00 C ATOM 0 H LEU A 19 7.002 7.345 25.238 1.00 0.00 H new ATOM 0 HA LEU A 19 5.685 8.112 22.784 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.644 9.506 24.629 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.972 10.245 23.189 1.00 0.00 H new ATOM 0 HG LEU A 19 4.676 9.891 24.180 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.524 9.587 26.619 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.216 8.161 25.811 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.277 9.291 26.684 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.876 11.827 25.717 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.644 11.623 25.725 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.807 12.071 24.220 1.00 0.00 H new ATOM 283 N GLY A 20 8.998 8.037 22.866 1.00 0.00 N ATOM 284 CA GLY A 20 10.165 7.685 22.090 1.00 0.00 C ATOM 285 C GLY A 20 10.581 6.246 22.324 1.00 0.00 C ATOM 286 O GLY A 20 9.754 5.400 22.667 1.00 0.00 O ATOM 0 H GLY A 20 9.197 8.403 23.797 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.957 7.836 21.031 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.989 8.349 22.351 1.00 0.00 H new ATOM 290 N CYS A 21 11.861 5.960 22.151 1.00 0.00 N ATOM 291 CA CYS A 21 12.361 4.612 22.354 1.00 0.00 C ATOM 292 C CYS A 21 12.635 4.354 23.826 1.00 0.00 C ATOM 293 O CYS A 21 13.602 4.874 24.380 1.00 0.00 O ATOM 294 CB CYS A 21 13.634 4.371 21.548 1.00 0.00 C ATOM 295 SG CYS A 21 14.330 2.718 21.781 1.00 0.00 S ATOM 0 H CYS A 21 12.569 6.640 21.872 1.00 0.00 H new ATOM 0 HA CYS A 21 11.591 3.922 22.008 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.419 4.521 20.490 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.380 5.114 21.830 1.00 0.00 H new ATOM 0 HG CYS A 21 13.397 1.827 21.618 1.00 0.00 H new ATOM 301 N GLU A 22 11.778 3.542 24.438 1.00 0.00 N ATOM 302 CA GLU A 22 11.918 3.146 25.841 1.00 0.00 C ATOM 303 C GLU A 22 13.359 2.753 26.172 1.00 0.00 C ATOM 304 O GLU A 22 13.913 3.171 27.189 1.00 0.00 O ATOM 305 CB GLU A 22 10.996 1.959 26.126 1.00 0.00 C ATOM 306 CG GLU A 22 11.107 1.420 27.542 1.00 0.00 C ATOM 307 CD GLU A 22 10.727 -0.041 27.632 1.00 0.00 C ATOM 308 OE1 GLU A 22 11.518 -0.890 27.170 1.00 0.00 O ATOM 309 OE2 GLU A 22 9.634 -0.351 28.149 1.00 0.00 O ATOM 0 H GLU A 22 10.964 3.137 23.976 1.00 0.00 H new ATOM 0 HA GLU A 22 11.645 3.999 26.462 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.965 2.260 25.942 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.224 1.157 25.424 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.129 1.550 27.899 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.463 2.002 28.201 1.00 0.00 H new ATOM 316 N GLU A 23 13.953 1.954 25.291 1.00 0.00 N ATOM 317 CA GLU A 23 15.303 1.442 25.485 1.00 0.00 C ATOM 318 C GLU A 23 16.308 2.583 25.634 1.00 0.00 C ATOM 319 O GLU A 23 16.988 2.697 26.647 1.00 0.00 O ATOM 320 CB GLU A 23 15.687 0.551 24.302 1.00 0.00 C ATOM 321 CG GLU A 23 16.716 -0.505 24.648 1.00 0.00 C ATOM 322 CD GLU A 23 16.271 -1.379 25.802 1.00 0.00 C ATOM 323 OE1 GLU A 23 15.161 -1.947 25.727 1.00 0.00 O ATOM 324 OE2 GLU A 23 17.017 -1.487 26.791 1.00 0.00 O ATOM 0 H GLU A 23 13.512 1.644 24.425 1.00 0.00 H new ATOM 0 HA GLU A 23 15.323 0.856 26.404 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.791 0.062 23.920 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.076 1.176 23.498 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.903 -1.128 23.773 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.659 -0.022 24.903 1.00 0.00 H new ATOM 331 N CYS A 24 16.392 3.429 24.622 1.00 0.00 N ATOM 332 CA CYS A 24 17.288 4.575 24.656 1.00 0.00 C ATOM 333 C CYS A 24 16.932 5.530 25.802 1.00 0.00 C ATOM 334 O CYS A 24 17.817 6.103 26.440 1.00 0.00 O ATOM 335 CB CYS A 24 17.236 5.305 23.314 1.00 0.00 C ATOM 336 SG CYS A 24 17.646 4.258 21.897 1.00 0.00 S ATOM 0 H CYS A 24 15.849 3.344 23.763 1.00 0.00 H new ATOM 0 HA CYS A 24 18.302 4.216 24.833 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.236 5.716 23.173 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.926 6.148 23.343 1.00 0.00 H new ATOM 0 HG CYS A 24 16.614 3.533 21.580 1.00 0.00 H new ATOM 342 N LEU A 25 15.641 5.671 26.083 1.00 0.00 N ATOM 343 CA LEU A 25 15.170 6.605 27.105 1.00 0.00 C ATOM 344 C LEU A 25 15.565 6.172 28.514 1.00 0.00 C ATOM 345 O LEU A 25 15.610 6.998 29.426 1.00 0.00 O ATOM 346 CB LEU A 25 13.650 6.764 27.035 1.00 0.00 C ATOM 347 CG LEU A 25 13.118 7.461 25.782 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.599 7.478 25.796 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.668 8.876 25.680 1.00 0.00 C ATOM 0 H LEU A 25 14.898 5.150 25.617 1.00 0.00 H new ATOM 0 HA LEU A 25 15.652 7.560 26.896 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.195 5.775 27.100 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.320 7.325 27.909 1.00 0.00 H new ATOM 0 HG LEU A 25 13.452 6.903 24.907 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.232 7.977 24.899 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.224 6.455 25.821 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.249 8.015 26.678 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.277 9.354 24.782 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.365 9.448 26.557 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.756 8.841 25.628 1.00 0.00 H new ATOM 361 N LYS A 26 15.860 4.888 28.701 1.00 0.00 N ATOM 362 CA LYS A 26 16.181 4.379 30.032 1.00 0.00 C ATOM 363 C LYS A 26 17.554 4.880 30.483 1.00 0.00 C ATOM 364 O LYS A 26 17.853 4.911 31.678 1.00 0.00 O ATOM 365 CB LYS A 26 16.120 2.841 30.061 1.00 0.00 C ATOM 366 CG LYS A 26 17.362 2.147 29.518 1.00 0.00 C ATOM 367 CD LYS A 26 17.080 0.702 29.124 1.00 0.00 C ATOM 368 CE LYS A 26 16.575 -0.127 30.293 1.00 0.00 C ATOM 369 NZ LYS A 26 16.197 -1.503 29.869 1.00 0.00 N ATOM 0 H LYS A 26 15.884 4.189 27.959 1.00 0.00 H new ATOM 0 HA LYS A 26 15.435 4.757 30.731 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.958 2.516 31.089 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.255 2.514 29.484 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.733 2.694 28.651 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.150 2.171 30.271 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.341 0.684 28.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.990 0.251 28.728 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.347 -0.182 31.061 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.713 0.365 30.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.180 -1.649 30.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.408 -1.625 28.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.738 -2.198 30.422 1.00 0.00 H new ATOM 383 N ILE A 27 18.380 5.290 29.525 1.00 0.00 N ATOM 384 CA ILE A 27 19.711 5.797 29.838 1.00 0.00 C ATOM 385 C ILE A 27 19.886 7.239 29.364 1.00 0.00 C ATOM 386 O ILE A 27 20.895 7.879 29.656 1.00 0.00 O ATOM 387 CB ILE A 27 20.819 4.918 29.217 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.599 4.761 27.708 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.863 3.558 29.902 1.00 0.00 C ATOM 390 CD1 ILE A 27 21.681 3.962 27.015 1.00 0.00 C ATOM 0 H ILE A 27 18.152 5.281 28.531 1.00 0.00 H new ATOM 0 HA ILE A 27 19.806 5.765 30.923 1.00 0.00 H new ATOM 0 HB ILE A 27 21.780 5.410 29.370 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.637 4.277 27.539 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.542 5.750 27.253 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.649 2.950 29.453 1.00 0.00 H new ATOM 0 HG22 ILE A 27 21.069 3.692 30.964 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.902 3.058 29.779 1.00 0.00 H new ATOM 0 HD11 ILE A 27 21.457 3.893 25.950 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.643 4.456 27.153 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.724 2.960 27.442 1.00 0.00 H new ATOM 402 N GLY A 28 18.897 7.750 28.640 1.00 0.00 N ATOM 403 CA GLY A 28 18.984 9.101 28.117 1.00 0.00 C ATOM 404 C GLY A 28 19.784 9.161 26.831 1.00 0.00 C ATOM 405 O GLY A 28 20.624 10.041 26.649 1.00 0.00 O ATOM 0 H GLY A 28 18.037 7.254 28.406 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.980 9.486 27.938 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.446 9.749 28.862 1.00 0.00 H new ATOM 409 N SER A 29 19.524 8.215 25.945 1.00 0.00 N ATOM 410 CA SER A 29 20.229 8.129 24.679 1.00 0.00 C ATOM 411 C SER A 29 19.297 8.486 23.527 1.00 0.00 C ATOM 412 O SER A 29 18.091 8.245 23.599 1.00 0.00 O ATOM 413 CB SER A 29 20.780 6.709 24.495 1.00 0.00 C ATOM 414 OG SER A 29 21.436 6.555 23.245 1.00 0.00 O ATOM 0 H SER A 29 18.822 7.488 26.082 1.00 0.00 H new ATOM 0 HA SER A 29 21.057 8.838 24.683 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.477 6.482 25.302 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.964 5.990 24.568 1.00 0.00 H new ATOM 0 HG SER A 29 21.775 5.639 23.164 1.00 0.00 H new ATOM 420 N PRO A 30 19.837 9.089 22.458 1.00 0.00 N ATOM 421 CA PRO A 30 19.071 9.366 21.245 1.00 0.00 C ATOM 422 C PRO A 30 18.842 8.106 20.410 1.00 0.00 C ATOM 423 O PRO A 30 19.356 7.028 20.730 1.00 0.00 O ATOM 424 CB PRO A 30 19.955 10.358 20.489 1.00 0.00 C ATOM 425 CG PRO A 30 21.341 10.042 20.932 1.00 0.00 C ATOM 426 CD PRO A 30 21.228 9.578 22.359 1.00 0.00 C ATOM 0 HA PRO A 30 18.074 9.748 21.465 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.848 10.242 19.411 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.688 11.388 20.727 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.784 9.268 20.305 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.984 10.919 20.857 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.947 8.789 22.582 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.418 10.390 23.061 1.00 0.00 H new ATOM 434 N TRP A 31 18.064 8.249 19.349 1.00 0.00 N ATOM 435 CA TRP A 31 17.797 7.156 18.429 1.00 0.00 C ATOM 436 C TRP A 31 17.788 7.686 17.003 1.00 0.00 C ATOM 437 O TRP A 31 17.995 8.881 16.779 1.00 0.00 O ATOM 438 CB TRP A 31 16.456 6.484 18.754 1.00 0.00 C ATOM 439 CG TRP A 31 15.283 7.421 18.714 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.594 7.831 17.607 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.659 8.059 19.833 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.588 8.690 17.969 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.603 8.844 19.330 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.890 8.042 21.211 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.784 9.605 20.158 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.076 8.798 22.031 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.034 9.569 21.502 1.00 0.00 C ATOM 0 H TRP A 31 17.601 9.124 19.102 1.00 0.00 H new ATOM 0 HA TRP A 31 18.583 6.408 18.534 1.00 0.00 H new ATOM 0 HB2 TRP A 31 16.286 5.673 18.046 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.516 6.034 19.745 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.810 7.523 16.595 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.935 9.141 17.329 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.691 7.448 21.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.980 10.202 19.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.246 8.795 23.098 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.414 10.148 22.170 1.00 0.00 H new ATOM 458 N VAL A 32 17.550 6.808 16.045 1.00 0.00 N ATOM 459 CA VAL A 32 17.459 7.217 14.653 1.00 0.00 C ATOM 460 C VAL A 32 16.002 7.241 14.207 1.00 0.00 C ATOM 461 O VAL A 32 15.504 8.262 13.748 1.00 0.00 O ATOM 462 CB VAL A 32 18.266 6.289 13.724 1.00 0.00 C ATOM 463 CG1 VAL A 32 18.257 6.819 12.298 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.693 6.133 14.229 1.00 0.00 C ATOM 0 H VAL A 32 17.416 5.809 16.204 1.00 0.00 H new ATOM 0 HA VAL A 32 17.886 8.218 14.581 1.00 0.00 H new ATOM 0 HB VAL A 32 17.793 5.307 13.727 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.832 6.150 11.658 1.00 0.00 H new ATOM 0 HG12 VAL A 32 17.230 6.874 11.937 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.703 7.814 12.277 1.00 0.00 H new ATOM 0 HG21 VAL A 32 20.246 5.474 13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.177 7.109 14.259 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.680 5.704 15.231 1.00 0.00 H new ATOM 474 N HIS A 33 15.325 6.107 14.348 1.00 0.00 N ATOM 475 CA HIS A 33 13.912 6.003 13.998 1.00 0.00 C ATOM 476 C HIS A 33 13.193 5.127 15.016 1.00 0.00 C ATOM 477 O HIS A 33 13.832 4.379 15.760 1.00 0.00 O ATOM 478 CB HIS A 33 13.721 5.413 12.592 1.00 0.00 C ATOM 479 CG HIS A 33 14.296 6.242 11.483 1.00 0.00 C ATOM 480 ND1 HIS A 33 15.276 5.776 10.631 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.016 7.503 11.077 1.00 0.00 C ATOM 482 CE1 HIS A 33 15.573 6.716 9.752 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.824 7.770 10.002 1.00 0.00 N ATOM 0 H HIS A 33 15.734 5.243 14.704 1.00 0.00 H new ATOM 0 HA HIS A 33 13.491 7.008 14.006 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.178 4.424 12.562 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.655 5.277 12.411 1.00 0.00 H new ATOM 0 HD1 HIS A 33 15.704 4.851 10.673 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.292 8.173 11.517 1.00 0.00 H new ATOM 0 HE1 HIS A 33 16.305 6.634 8.963 1.00 0.00 H new ATOM 492 N LEU A 34 11.873 5.210 15.035 1.00 0.00 N ATOM 493 CA LEU A 34 11.066 4.443 15.972 1.00 0.00 C ATOM 494 C LEU A 34 10.145 3.477 15.244 1.00 0.00 C ATOM 495 O LEU A 34 9.555 3.813 14.213 1.00 0.00 O ATOM 496 CB LEU A 34 10.230 5.375 16.846 1.00 0.00 C ATOM 497 CG LEU A 34 11.030 6.288 17.769 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.098 7.192 18.556 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.889 5.464 18.711 1.00 0.00 C ATOM 0 H LEU A 34 11.333 5.806 14.407 1.00 0.00 H new ATOM 0 HA LEU A 34 11.749 3.870 16.600 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.608 5.993 16.199 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.556 4.771 17.453 1.00 0.00 H new ATOM 0 HG LEU A 34 11.684 6.912 17.160 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.684 7.838 19.210 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.517 7.805 17.866 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.423 6.583 19.157 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.454 6.129 19.364 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.251 4.819 19.315 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.580 4.851 18.132 1.00 0.00 H new ATOM 511 N ARG A 35 10.033 2.278 15.789 1.00 0.00 N ATOM 512 CA ARG A 35 9.134 1.266 15.265 1.00 0.00 C ATOM 513 C ARG A 35 8.145 0.858 16.354 1.00 0.00 C ATOM 514 O ARG A 35 8.540 0.312 17.386 1.00 0.00 O ATOM 515 CB ARG A 35 9.928 0.039 14.793 1.00 0.00 C ATOM 516 CG ARG A 35 10.925 0.327 13.676 1.00 0.00 C ATOM 517 CD ARG A 35 10.236 0.535 12.334 1.00 0.00 C ATOM 518 NE ARG A 35 11.191 0.861 11.269 1.00 0.00 N ATOM 519 CZ ARG A 35 11.575 0.010 10.310 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.094 -1.228 10.276 1.00 0.00 N ATOM 521 NH2 ARG A 35 12.441 0.402 9.384 1.00 0.00 N ATOM 0 H ARG A 35 10.563 1.979 16.608 1.00 0.00 H new ATOM 0 HA ARG A 35 8.591 1.676 14.413 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.465 -0.381 15.644 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.227 -0.723 14.451 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.504 1.216 13.927 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.630 -0.501 13.597 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.687 -0.368 12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.504 1.338 12.423 1.00 0.00 H new ATOM 0 HE ARG A 35 11.589 1.800 11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.427 -1.536 10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.391 -1.871 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.814 1.351 9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.734 -0.246 8.653 1.00 0.00 H new ATOM 535 N ILE A 36 6.869 1.135 16.135 1.00 0.00 N ATOM 536 CA ILE A 36 5.842 0.794 17.109 1.00 0.00 C ATOM 537 C ILE A 36 5.196 -0.531 16.743 1.00 0.00 C ATOM 538 O ILE A 36 4.782 -0.759 15.612 1.00 0.00 O ATOM 539 CB ILE A 36 4.767 1.901 17.242 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.718 1.498 18.282 1.00 0.00 C ATOM 541 CG2 ILE A 36 4.112 2.196 15.898 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.679 2.564 18.545 1.00 0.00 C ATOM 0 H ILE A 36 6.520 1.594 15.294 1.00 0.00 H new ATOM 0 HA ILE A 36 6.330 0.704 18.080 1.00 0.00 H new ATOM 0 HB ILE A 36 5.257 2.815 17.578 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.217 0.590 17.946 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.222 1.256 19.218 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.362 2.977 16.022 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.870 2.530 15.190 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.635 1.292 15.519 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.971 2.206 19.292 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.168 3.466 18.912 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.148 2.790 17.621 1.00 0.00 H new ATOM 554 N CYS A 37 5.151 -1.413 17.710 1.00 0.00 N ATOM 555 CA CYS A 37 4.642 -2.755 17.511 1.00 0.00 C ATOM 556 C CYS A 37 3.115 -2.761 17.489 1.00 0.00 C ATOM 557 O CYS A 37 2.475 -2.450 18.493 1.00 0.00 O ATOM 558 CB CYS A 37 5.174 -3.620 18.639 1.00 0.00 C ATOM 559 SG CYS A 37 4.719 -5.367 18.570 1.00 0.00 S ATOM 0 H CYS A 37 5.466 -1.224 18.661 1.00 0.00 H new ATOM 0 HA CYS A 37 4.973 -3.146 16.549 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.262 -3.547 18.646 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.821 -3.209 19.585 1.00 0.00 H new ATOM 564 N ARG A 38 2.539 -3.149 16.352 1.00 0.00 N ATOM 565 CA ARG A 38 1.089 -3.085 16.146 1.00 0.00 C ATOM 566 C ARG A 38 0.337 -4.144 16.947 1.00 0.00 C ATOM 567 O ARG A 38 -0.889 -4.217 16.884 1.00 0.00 O ATOM 568 CB ARG A 38 0.750 -3.258 14.664 1.00 0.00 C ATOM 569 CG ARG A 38 1.122 -2.070 13.793 1.00 0.00 C ATOM 570 CD ARG A 38 0.373 -0.814 14.211 1.00 0.00 C ATOM 571 NE ARG A 38 -1.069 -1.042 14.334 1.00 0.00 N ATOM 572 CZ ARG A 38 -1.990 -0.348 13.668 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.637 0.539 12.752 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.277 -0.560 13.904 1.00 0.00 N ATOM 0 H ARG A 38 3.057 -3.514 15.553 1.00 0.00 H new ATOM 0 HA ARG A 38 0.772 -2.103 16.496 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.262 -4.144 14.288 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.320 -3.443 14.568 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.196 -1.893 13.857 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.899 -2.298 12.751 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.765 -0.460 15.164 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.553 -0.026 13.480 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.386 -1.776 14.967 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.650 0.697 12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.352 1.064 12.249 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.561 -1.254 14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.983 -0.029 13.394 1.00 0.00 H new ATOM 588 N THR A 39 1.061 -4.967 17.682 1.00 0.00 N ATOM 589 CA THR A 39 0.435 -6.028 18.449 1.00 0.00 C ATOM 590 C THR A 39 0.179 -5.597 19.890 1.00 0.00 C ATOM 591 O THR A 39 -0.940 -5.701 20.390 1.00 0.00 O ATOM 592 CB THR A 39 1.315 -7.287 18.455 1.00 0.00 C ATOM 593 OG1 THR A 39 1.943 -7.444 17.174 1.00 0.00 O ATOM 594 CG2 THR A 39 0.488 -8.520 18.782 1.00 0.00 C ATOM 0 H THR A 39 2.077 -4.922 17.764 1.00 0.00 H new ATOM 0 HA THR A 39 -0.519 -6.249 17.970 1.00 0.00 H new ATOM 0 HB THR A 39 2.080 -7.173 19.223 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.090 -8.396 16.996 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.131 -9.400 18.781 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.034 -8.403 19.766 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.295 -8.642 18.034 1.00 0.00 H new ATOM 602 N CYS A 40 1.217 -5.089 20.543 1.00 0.00 N ATOM 603 CA CYS A 40 1.141 -4.783 21.968 1.00 0.00 C ATOM 604 C CYS A 40 1.339 -3.292 22.228 1.00 0.00 C ATOM 605 O CYS A 40 1.345 -2.850 23.373 1.00 0.00 O ATOM 606 CB CYS A 40 2.187 -5.599 22.732 1.00 0.00 C ATOM 607 SG CYS A 40 3.906 -5.181 22.311 1.00 0.00 S ATOM 0 H CYS A 40 2.118 -4.881 20.112 1.00 0.00 H new ATOM 0 HA CYS A 40 0.146 -5.052 22.321 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.039 -5.449 23.801 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.023 -6.658 22.533 1.00 0.00 H new ATOM 612 N GLY A 41 1.515 -2.522 21.158 1.00 0.00 N ATOM 613 CA GLY A 41 1.631 -1.078 21.288 1.00 0.00 C ATOM 614 C GLY A 41 2.934 -0.621 21.917 1.00 0.00 C ATOM 615 O GLY A 41 3.026 0.502 22.414 1.00 0.00 O ATOM 0 H GLY A 41 1.580 -2.872 20.202 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.537 -0.625 20.301 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.800 -0.709 21.889 1.00 0.00 H new ATOM 619 N HIS A 42 3.952 -1.473 21.899 1.00 0.00 N ATOM 620 CA HIS A 42 5.228 -1.095 22.486 1.00 0.00 C ATOM 621 C HIS A 42 6.147 -0.541 21.409 1.00 0.00 C ATOM 622 O HIS A 42 6.260 -1.113 20.322 1.00 0.00 O ATOM 623 CB HIS A 42 5.894 -2.277 23.196 1.00 0.00 C ATOM 624 CG HIS A 42 6.969 -1.858 24.156 1.00 0.00 C ATOM 625 ND1 HIS A 42 8.293 -1.721 23.796 1.00 0.00 N ATOM 626 CD2 HIS A 42 6.903 -1.521 25.468 1.00 0.00 C ATOM 627 CE1 HIS A 42 8.991 -1.319 24.842 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.173 -1.189 25.866 1.00 0.00 N ATOM 0 H HIS A 42 3.921 -2.409 21.494 1.00 0.00 H new ATOM 0 HA HIS A 42 5.041 -0.325 23.234 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.135 -2.844 23.735 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.322 -2.947 22.450 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.016 -1.515 26.084 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.054 -1.129 24.856 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.441 -0.890 26.804 1.00 0.00 H new ATOM 637 N VAL A 43 6.791 0.573 21.714 1.00 0.00 N ATOM 638 CA VAL A 43 7.667 1.242 20.767 1.00 0.00 C ATOM 639 C VAL A 43 9.117 0.822 20.988 1.00 0.00 C ATOM 640 O VAL A 43 9.561 0.666 22.127 1.00 0.00 O ATOM 641 CB VAL A 43 7.549 2.776 20.898 1.00 0.00 C ATOM 642 CG1 VAL A 43 8.377 3.482 19.835 1.00 0.00 C ATOM 643 CG2 VAL A 43 6.092 3.205 20.816 1.00 0.00 C ATOM 0 H VAL A 43 6.722 1.037 22.620 1.00 0.00 H new ATOM 0 HA VAL A 43 7.358 0.949 19.764 1.00 0.00 H new ATOM 0 HB VAL A 43 7.942 3.064 21.873 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.275 4.561 19.951 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.425 3.203 19.945 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.025 3.189 18.846 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.026 4.289 20.910 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.676 2.898 19.857 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.529 2.736 21.623 1.00 0.00 H new ATOM 653 N GLY A 44 9.836 0.612 19.897 1.00 0.00 N ATOM 654 CA GLY A 44 11.240 0.276 19.979 1.00 0.00 C ATOM 655 C GLY A 44 12.052 1.043 18.960 1.00 0.00 C ATOM 656 O GLY A 44 11.492 1.613 18.021 1.00 0.00 O ATOM 0 H GLY A 44 9.467 0.669 18.948 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.610 0.495 20.981 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.369 -0.794 19.818 1.00 0.00 H new ATOM 660 N CYS A 45 13.364 1.073 19.141 1.00 0.00 N ATOM 661 CA CYS A 45 14.241 1.764 18.209 1.00 0.00 C ATOM 662 C CYS A 45 14.363 0.973 16.917 1.00 0.00 C ATOM 663 O CYS A 45 14.387 -0.259 16.934 1.00 0.00 O ATOM 664 CB CYS A 45 15.625 1.966 18.822 1.00 0.00 C ATOM 665 SG CYS A 45 16.427 0.423 19.311 1.00 0.00 S ATOM 0 H CYS A 45 13.844 0.628 19.923 1.00 0.00 H new ATOM 0 HA CYS A 45 13.807 2.740 17.992 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.260 2.485 18.104 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.536 2.613 19.695 1.00 0.00 H new ATOM 0 HG CYS A 45 15.954 0.032 20.457 1.00 0.00 H new ATOM 671 N CYS A 46 14.441 1.690 15.810 1.00 0.00 N ATOM 672 CA CYS A 46 14.561 1.082 14.495 1.00 0.00 C ATOM 673 C CYS A 46 15.882 0.321 14.365 1.00 0.00 C ATOM 674 O CYS A 46 16.765 0.442 15.218 1.00 0.00 O ATOM 675 CB CYS A 46 14.472 2.178 13.432 1.00 0.00 C ATOM 676 SG CYS A 46 14.343 1.581 11.735 1.00 0.00 S ATOM 0 H CYS A 46 14.423 2.710 15.796 1.00 0.00 H new ATOM 0 HA CYS A 46 13.750 0.367 14.355 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.606 2.804 13.648 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.354 2.814 13.512 1.00 0.00 H new ATOM 0 HG CYS A 46 15.209 2.201 10.990 1.00 0.00 H new ATOM 682 N ASP A 47 16.018 -0.441 13.283 1.00 0.00 N ATOM 683 CA ASP A 47 17.222 -1.230 13.033 1.00 0.00 C ATOM 684 C ASP A 47 18.420 -0.320 12.777 1.00 0.00 C ATOM 685 O ASP A 47 19.571 -0.754 12.843 1.00 0.00 O ATOM 686 CB ASP A 47 17.009 -2.165 11.838 1.00 0.00 C ATOM 687 CG ASP A 47 16.819 -1.416 10.532 1.00 0.00 C ATOM 688 OD1 ASP A 47 15.702 -0.919 10.281 1.00 0.00 O ATOM 689 OD2 ASP A 47 17.787 -1.314 9.753 1.00 0.00 O ATOM 0 H ASP A 47 15.304 -0.529 12.560 1.00 0.00 H new ATOM 0 HA ASP A 47 17.425 -1.831 13.920 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.866 -2.832 11.747 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.136 -2.791 12.023 1.00 0.00 H new ATOM 694 N ASP A 48 18.135 0.945 12.484 1.00 0.00 N ATOM 695 CA ASP A 48 19.178 1.945 12.289 1.00 0.00 C ATOM 696 C ASP A 48 19.914 2.192 13.599 1.00 0.00 C ATOM 697 O ASP A 48 21.125 2.402 13.621 1.00 0.00 O ATOM 698 CB ASP A 48 18.583 3.271 11.804 1.00 0.00 C ATOM 699 CG ASP A 48 17.642 3.117 10.629 1.00 0.00 C ATOM 700 OD1 ASP A 48 18.100 2.730 9.534 1.00 0.00 O ATOM 701 OD2 ASP A 48 16.433 3.383 10.797 1.00 0.00 O ATOM 0 H ASP A 48 17.186 1.303 12.376 1.00 0.00 H new ATOM 0 HA ASP A 48 19.868 1.565 11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.048 3.743 12.628 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.394 3.943 11.524 1.00 0.00 H new ATOM 706 N SER A 49 19.166 2.147 14.692 1.00 0.00 N ATOM 707 CA SER A 49 19.703 2.448 16.004 1.00 0.00 C ATOM 708 C SER A 49 20.382 1.219 16.604 1.00 0.00 C ATOM 709 O SER A 49 19.821 0.126 16.585 1.00 0.00 O ATOM 710 CB SER A 49 18.577 2.945 16.907 1.00 0.00 C ATOM 711 OG SER A 49 17.873 4.005 16.277 1.00 0.00 O ATOM 0 H SER A 49 18.176 1.902 14.691 1.00 0.00 H new ATOM 0 HA SER A 49 20.458 3.229 15.914 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.892 2.127 17.130 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.987 3.286 17.858 1.00 0.00 H new ATOM 0 HG SER A 49 16.939 4.000 16.574 1.00 0.00 H new ATOM 717 N PRO A 50 21.597 1.408 17.150 1.00 0.00 N ATOM 718 CA PRO A 50 22.447 0.326 17.683 1.00 0.00 C ATOM 719 C PRO A 50 21.719 -0.661 18.597 1.00 0.00 C ATOM 720 O PRO A 50 22.046 -1.846 18.616 1.00 0.00 O ATOM 721 CB PRO A 50 23.508 1.084 18.479 1.00 0.00 C ATOM 722 CG PRO A 50 23.623 2.400 17.798 1.00 0.00 C ATOM 723 CD PRO A 50 22.252 2.723 17.273 1.00 0.00 C ATOM 0 HA PRO A 50 22.829 -0.298 16.875 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.212 1.202 19.521 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.460 0.552 18.477 1.00 0.00 H new ATOM 0 HG2 PRO A 50 23.965 3.168 18.491 1.00 0.00 H new ATOM 0 HG3 PRO A 50 24.350 2.356 16.987 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.708 3.377 17.954 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.303 3.235 16.312 1.00 0.00 H new ATOM 731 N HIS A 51 20.742 -0.176 19.355 1.00 0.00 N ATOM 732 CA HIS A 51 20.035 -1.026 20.313 1.00 0.00 C ATOM 733 C HIS A 51 19.212 -2.098 19.594 1.00 0.00 C ATOM 734 O HIS A 51 19.136 -3.235 20.054 1.00 0.00 O ATOM 735 CB HIS A 51 19.124 -0.194 21.226 1.00 0.00 C ATOM 736 CG HIS A 51 19.851 0.740 22.151 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.780 0.649 23.526 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.627 1.818 21.890 1.00 0.00 C ATOM 739 CE1 HIS A 51 20.473 1.633 24.065 1.00 0.00 C ATOM 740 NE2 HIS A 51 21.001 2.356 23.096 1.00 0.00 N ATOM 0 H HIS A 51 20.422 0.792 19.328 1.00 0.00 H new ATOM 0 HA HIS A 51 20.788 -1.518 20.929 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.443 0.388 20.605 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.512 -0.871 21.822 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.901 2.187 20.913 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.589 1.816 25.123 1.00 0.00 H new ATOM 0 HE2 HIS A 51 21.590 3.179 23.222 1.00 0.00 H new ATOM 749 N LYS A 52 18.610 -1.717 18.461 1.00 0.00 N ATOM 750 CA LYS A 52 17.774 -2.618 17.652 1.00 0.00 C ATOM 751 C LYS A 52 16.822 -3.457 18.504 1.00 0.00 C ATOM 752 O LYS A 52 16.658 -4.653 18.271 1.00 0.00 O ATOM 753 CB LYS A 52 18.649 -3.539 16.800 1.00 0.00 C ATOM 754 CG LYS A 52 19.417 -2.814 15.711 1.00 0.00 C ATOM 755 CD LYS A 52 20.338 -3.753 14.956 1.00 0.00 C ATOM 756 CE LYS A 52 21.411 -4.328 15.865 1.00 0.00 C ATOM 757 NZ LYS A 52 22.355 -5.203 15.124 1.00 0.00 N ATOM 0 H LYS A 52 18.688 -0.775 18.077 1.00 0.00 H new ATOM 0 HA LYS A 52 17.166 -1.985 17.005 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.356 -4.056 17.449 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.020 -4.302 16.342 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.715 -2.354 15.015 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.002 -2.008 16.153 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.755 -4.565 14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.807 -3.219 14.130 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.963 -3.514 16.335 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.941 -4.898 16.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.071 -5.575 15.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.832 -5.994 14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.823 -4.653 14.376 1.00 0.00 H new ATOM 771 N HIS A 53 16.170 -2.836 19.475 1.00 0.00 N ATOM 772 CA HIS A 53 15.276 -3.582 20.347 1.00 0.00 C ATOM 773 C HIS A 53 13.973 -3.918 19.627 1.00 0.00 C ATOM 774 O HIS A 53 13.223 -4.774 20.077 1.00 0.00 O ATOM 775 CB HIS A 53 14.990 -2.831 21.652 1.00 0.00 C ATOM 776 CG HIS A 53 14.362 -3.710 22.695 1.00 0.00 C ATOM 777 ND1 HIS A 53 13.465 -3.260 23.638 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.512 -5.036 22.932 1.00 0.00 C ATOM 779 CE1 HIS A 53 13.093 -4.271 24.403 1.00 0.00 C ATOM 780 NE2 HIS A 53 13.714 -5.357 23.994 1.00 0.00 N ATOM 0 H HIS A 53 16.240 -1.839 19.677 1.00 0.00 H new ATOM 0 HA HIS A 53 15.782 -4.512 20.608 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.921 -2.418 22.042 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.330 -1.989 21.446 1.00 0.00 H new ATOM 0 HD2 HIS A 53 15.146 -5.715 22.382 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.396 -4.216 25.226 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.616 -6.286 24.403 1.00 0.00 H new ATOM 789 N ALA A 54 13.700 -3.240 18.514 1.00 0.00 N ATOM 790 CA ALA A 54 12.509 -3.535 17.722 1.00 0.00 C ATOM 791 C ALA A 54 12.580 -4.949 17.152 1.00 0.00 C ATOM 792 O ALA A 54 11.617 -5.715 17.241 1.00 0.00 O ATOM 793 CB ALA A 54 12.339 -2.519 16.601 1.00 0.00 C ATOM 0 H ALA A 54 14.282 -2.489 18.143 1.00 0.00 H new ATOM 0 HA ALA A 54 11.641 -3.469 18.378 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.446 -2.759 16.025 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.239 -1.521 17.027 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.211 -2.549 15.948 1.00 0.00 H new ATOM 799 N THR A 55 13.730 -5.295 16.585 1.00 0.00 N ATOM 800 CA THR A 55 13.939 -6.618 16.019 1.00 0.00 C ATOM 801 C THR A 55 14.057 -7.659 17.129 1.00 0.00 C ATOM 802 O THR A 55 13.481 -8.747 17.046 1.00 0.00 O ATOM 803 CB THR A 55 15.205 -6.643 15.142 1.00 0.00 C ATOM 804 OG1 THR A 55 16.294 -6.039 15.850 1.00 0.00 O ATOM 805 CG2 THR A 55 14.978 -5.902 13.833 1.00 0.00 C ATOM 0 H THR A 55 14.534 -4.673 16.506 1.00 0.00 H new ATOM 0 HA THR A 55 13.078 -6.859 15.396 1.00 0.00 H new ATOM 0 HB THR A 55 15.442 -7.682 14.914 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.098 -6.058 15.291 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.888 -5.935 13.234 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.164 -6.375 13.284 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.719 -4.864 14.043 1.00 0.00 H new ATOM 813 N ARG A 56 14.792 -7.301 18.178 1.00 0.00 N ATOM 814 CA ARG A 56 14.951 -8.159 19.348 1.00 0.00 C ATOM 815 C ARG A 56 13.608 -8.417 20.029 1.00 0.00 C ATOM 816 O ARG A 56 13.393 -9.471 20.625 1.00 0.00 O ATOM 817 CB ARG A 56 15.931 -7.522 20.336 1.00 0.00 C ATOM 818 CG ARG A 56 17.373 -7.533 19.850 1.00 0.00 C ATOM 819 CD ARG A 56 18.302 -6.779 20.794 1.00 0.00 C ATOM 820 NE ARG A 56 18.119 -7.170 22.196 1.00 0.00 N ATOM 821 CZ ARG A 56 18.541 -8.324 22.723 1.00 0.00 C ATOM 822 NH1 ARG A 56 19.172 -9.219 21.969 1.00 0.00 N ATOM 823 NH2 ARG A 56 18.329 -8.579 24.009 1.00 0.00 N ATOM 0 H ARG A 56 15.291 -6.414 18.241 1.00 0.00 H new ATOM 0 HA ARG A 56 15.350 -9.117 19.016 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.627 -6.492 20.525 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.872 -8.051 21.287 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.714 -8.564 19.753 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.424 -7.085 18.858 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.336 -6.961 20.502 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.126 -5.708 20.693 1.00 0.00 H new ATOM 0 HE ARG A 56 17.636 -6.516 22.812 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.337 -9.028 20.981 1.00 0.00 H new ATOM 0 HH12 ARG A 56 19.491 -10.097 22.379 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.845 -7.895 24.592 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.650 -9.458 24.414 1.00 0.00 H new ATOM 837 N HIS A 57 12.703 -7.451 19.924 1.00 0.00 N ATOM 838 CA HIS A 57 11.371 -7.578 20.500 1.00 0.00 C ATOM 839 C HIS A 57 10.608 -8.724 19.847 1.00 0.00 C ATOM 840 O HIS A 57 9.893 -9.468 20.520 1.00 0.00 O ATOM 841 CB HIS A 57 10.592 -6.268 20.342 1.00 0.00 C ATOM 842 CG HIS A 57 9.186 -6.339 20.850 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.842 -6.223 22.176 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.025 -6.539 20.177 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.515 -6.355 22.269 1.00 0.00 C ATOM 846 NE2 HIS A 57 6.971 -6.549 21.082 1.00 0.00 N ATOM 0 H HIS A 57 12.869 -6.567 19.443 1.00 0.00 H new ATOM 0 HA HIS A 57 11.480 -7.796 21.562 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.121 -5.475 20.871 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.575 -5.991 19.288 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.485 -6.064 22.951 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.935 -6.670 19.109 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.960 -6.309 23.195 1.00 0.00 H new ATOM 854 N PHE A 58 10.764 -8.863 18.537 1.00 0.00 N ATOM 855 CA PHE A 58 10.115 -9.939 17.803 1.00 0.00 C ATOM 856 C PHE A 58 10.657 -11.289 18.255 1.00 0.00 C ATOM 857 O PHE A 58 9.920 -12.266 18.344 1.00 0.00 O ATOM 858 CB PHE A 58 10.314 -9.756 16.296 1.00 0.00 C ATOM 859 CG PHE A 58 9.820 -10.914 15.472 1.00 0.00 C ATOM 860 CD1 PHE A 58 8.500 -11.325 15.541 1.00 0.00 C ATOM 861 CD2 PHE A 58 10.680 -11.587 14.627 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.049 -12.388 14.784 1.00 0.00 C ATOM 863 CE2 PHE A 58 10.237 -12.650 13.865 1.00 0.00 C ATOM 864 CZ PHE A 58 8.919 -13.050 13.943 1.00 0.00 C ATOM 0 H PHE A 58 11.335 -8.244 17.962 1.00 0.00 H new ATOM 0 HA PHE A 58 9.046 -9.908 18.013 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.798 -8.850 15.978 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.375 -9.606 16.095 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.814 -10.808 16.195 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.713 -11.278 14.561 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.017 -12.700 14.850 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.921 -13.167 13.209 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.569 -13.880 13.347 1.00 0.00 H new ATOM 874 N HIS A 59 11.943 -11.324 18.568 1.00 0.00 N ATOM 875 CA HIS A 59 12.582 -12.545 19.037 1.00 0.00 C ATOM 876 C HIS A 59 12.094 -12.901 20.442 1.00 0.00 C ATOM 877 O HIS A 59 12.079 -14.070 20.828 1.00 0.00 O ATOM 878 CB HIS A 59 14.106 -12.377 19.026 1.00 0.00 C ATOM 879 CG HIS A 59 14.856 -13.598 19.461 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.034 -14.695 18.651 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.468 -13.896 20.631 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.720 -15.614 19.300 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.997 -15.157 20.505 1.00 0.00 N ATOM 0 H HIS A 59 12.566 -10.519 18.506 1.00 0.00 H new ATOM 0 HA HIS A 59 12.313 -13.360 18.365 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.424 -12.107 18.019 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.375 -11.546 19.679 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.529 -13.260 21.502 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.007 -16.579 18.910 1.00 0.00 H new ATOM 0 HE2 HIS A 59 16.518 -15.657 21.225 1.00 0.00 H new ATOM 892 N ALA A 60 11.696 -11.886 21.196 1.00 0.00 N ATOM 893 CA ALA A 60 11.242 -12.083 22.565 1.00 0.00 C ATOM 894 C ALA A 60 9.758 -12.439 22.625 1.00 0.00 C ATOM 895 O ALA A 60 9.379 -13.442 23.226 1.00 0.00 O ATOM 896 CB ALA A 60 11.519 -10.837 23.392 1.00 0.00 C ATOM 0 H ALA A 60 11.678 -10.916 20.882 1.00 0.00 H new ATOM 0 HA ALA A 60 11.798 -12.923 22.981 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.176 -10.995 24.414 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.590 -10.634 23.396 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.990 -9.988 22.959 1.00 0.00 H new ATOM 902 N THR A 61 8.924 -11.621 21.995 1.00 0.00 N ATOM 903 CA THR A 61 7.476 -11.800 22.077 1.00 0.00 C ATOM 904 C THR A 61 6.935 -12.666 20.942 1.00 0.00 C ATOM 905 O THR A 61 6.070 -13.514 21.156 1.00 0.00 O ATOM 906 CB THR A 61 6.737 -10.445 22.064 1.00 0.00 C ATOM 907 OG1 THR A 61 7.232 -9.622 20.996 1.00 0.00 O ATOM 908 CG2 THR A 61 6.895 -9.714 23.390 1.00 0.00 C ATOM 0 H THR A 61 9.221 -10.830 21.424 1.00 0.00 H new ATOM 0 HA THR A 61 7.291 -12.308 23.024 1.00 0.00 H new ATOM 0 HB THR A 61 5.677 -10.645 21.909 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.974 -8.690 21.155 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.363 -8.764 23.347 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.483 -10.325 24.193 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.952 -9.529 23.580 1.00 0.00 H new ATOM 916 N GLY A 62 7.455 -12.460 19.742 1.00 0.00 N ATOM 917 CA GLY A 62 6.911 -13.133 18.579 1.00 0.00 C ATOM 918 C GLY A 62 5.872 -12.283 17.876 1.00 0.00 C ATOM 919 O GLY A 62 4.891 -12.797 17.342 1.00 0.00 O ATOM 0 H GLY A 62 8.242 -11.840 19.552 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.717 -13.370 17.885 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.463 -14.079 18.882 1.00 0.00 H new ATOM 923 N HIS A 63 6.095 -10.974 17.874 1.00 0.00 N ATOM 924 CA HIS A 63 5.169 -10.033 17.250 1.00 0.00 C ATOM 925 C HIS A 63 5.760 -9.544 15.929 1.00 0.00 C ATOM 926 O HIS A 63 6.658 -8.702 15.916 1.00 0.00 O ATOM 927 CB HIS A 63 4.882 -8.847 18.183 1.00 0.00 C ATOM 928 CG HIS A 63 4.191 -9.215 19.470 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.016 -8.292 20.472 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.645 -10.393 19.863 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.378 -8.913 21.438 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.130 -10.193 21.121 1.00 0.00 N ATOM 0 H HIS A 63 6.913 -10.537 18.299 1.00 0.00 H new ATOM 0 HA HIS A 63 4.224 -10.540 17.057 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.824 -8.352 18.420 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.267 -8.123 17.650 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.620 -11.312 19.296 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.089 -8.451 22.371 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.652 -10.883 21.701 1.00 0.00 H new ATOM 940 N PRO A 64 5.266 -10.078 14.802 1.00 0.00 N ATOM 941 CA PRO A 64 5.908 -9.922 13.493 1.00 0.00 C ATOM 942 C PRO A 64 5.574 -8.623 12.753 1.00 0.00 C ATOM 943 O PRO A 64 6.068 -8.408 11.646 1.00 0.00 O ATOM 944 CB PRO A 64 5.355 -11.116 12.717 1.00 0.00 C ATOM 945 CG PRO A 64 3.983 -11.314 13.267 1.00 0.00 C ATOM 946 CD PRO A 64 4.040 -10.898 14.716 1.00 0.00 C ATOM 0 HA PRO A 64 6.992 -9.879 13.598 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.328 -10.916 11.646 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.972 -12.003 12.860 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.255 -10.715 12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.674 -12.355 13.174 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.157 -10.327 15.003 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.090 -11.762 15.378 1.00 0.00 H new ATOM 954 N ILE A 65 4.747 -7.763 13.333 1.00 0.00 N ATOM 955 CA ILE A 65 4.340 -6.548 12.633 1.00 0.00 C ATOM 956 C ILE A 65 4.646 -5.286 13.435 1.00 0.00 C ATOM 957 O ILE A 65 4.257 -5.151 14.601 1.00 0.00 O ATOM 958 CB ILE A 65 2.841 -6.573 12.254 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.559 -7.746 11.307 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.428 -5.254 11.607 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.129 -7.812 10.816 1.00 0.00 C ATOM 0 H ILE A 65 4.351 -7.878 14.266 1.00 0.00 H new ATOM 0 HA ILE A 65 4.931 -6.522 11.717 1.00 0.00 H new ATOM 0 HB ILE A 65 2.254 -6.705 13.163 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.224 -7.673 10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.800 -8.678 11.818 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.370 -5.292 11.348 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.601 -4.436 12.306 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.017 -5.091 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.011 -8.668 10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.457 -7.918 11.667 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.888 -6.897 10.275 1.00 0.00 H new ATOM 973 N ILE A 66 5.350 -4.367 12.788 1.00 0.00 N ATOM 974 CA ILE A 66 5.679 -3.078 13.375 1.00 0.00 C ATOM 975 C ILE A 66 5.267 -1.953 12.435 1.00 0.00 C ATOM 976 O ILE A 66 5.120 -2.164 11.234 1.00 0.00 O ATOM 977 CB ILE A 66 7.187 -2.954 13.678 1.00 0.00 C ATOM 978 CG1 ILE A 66 8.009 -3.245 12.418 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.579 -3.891 14.810 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.499 -3.063 12.603 1.00 0.00 C ATOM 0 H ILE A 66 5.708 -4.495 11.842 1.00 0.00 H new ATOM 0 HA ILE A 66 5.132 -3.001 14.314 1.00 0.00 H new ATOM 0 HB ILE A 66 7.398 -1.932 13.994 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.815 -4.269 12.098 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.670 -2.590 11.615 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.646 -3.792 15.012 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.015 -3.634 15.707 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.358 -4.919 14.524 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.012 -3.287 11.668 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.707 -2.033 12.893 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.854 -3.737 13.382 1.00 0.00 H new ATOM 992 N GLU A 67 5.086 -0.768 12.986 1.00 0.00 N ATOM 993 CA GLU A 67 4.653 0.385 12.215 1.00 0.00 C ATOM 994 C GLU A 67 5.638 1.537 12.400 1.00 0.00 C ATOM 995 O GLU A 67 6.313 1.627 13.431 1.00 0.00 O ATOM 996 CB GLU A 67 3.242 0.784 12.663 1.00 0.00 C ATOM 997 CG GLU A 67 2.638 1.958 11.911 1.00 0.00 C ATOM 998 CD GLU A 67 1.164 2.123 12.215 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.821 2.679 13.279 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.338 1.663 11.407 1.00 0.00 O ATOM 0 H GLU A 67 5.234 -0.576 13.977 1.00 0.00 H new ATOM 0 HA GLU A 67 4.627 0.136 11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.584 -0.078 12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.269 1.027 13.725 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.169 2.872 12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.774 1.812 10.839 1.00 0.00 H new ATOM 1007 N GLY A 68 5.744 2.393 11.392 1.00 0.00 N ATOM 1008 CA GLY A 68 6.622 3.543 11.483 1.00 0.00 C ATOM 1009 C GLY A 68 6.081 4.598 12.427 1.00 0.00 C ATOM 1010 O GLY A 68 5.101 5.271 12.113 1.00 0.00 O ATOM 0 H GLY A 68 5.236 2.311 10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.606 3.222 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.755 3.977 10.492 1.00 0.00 H new ATOM 1014 N TYR A 69 6.716 4.739 13.584 1.00 0.00 N ATOM 1015 CA TYR A 69 6.247 5.676 14.596 1.00 0.00 C ATOM 1016 C TYR A 69 6.998 7.001 14.492 1.00 0.00 C ATOM 1017 O TYR A 69 6.417 8.068 14.680 1.00 0.00 O ATOM 1018 CB TYR A 69 6.412 5.070 15.992 1.00 0.00 C ATOM 1019 CG TYR A 69 5.609 5.769 17.068 1.00 0.00 C ATOM 1020 CD1 TYR A 69 4.364 6.322 16.790 1.00 0.00 C ATOM 1021 CD2 TYR A 69 6.090 5.863 18.366 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.625 6.948 17.774 1.00 0.00 C ATOM 1023 CE2 TYR A 69 5.357 6.489 19.356 1.00 0.00 C ATOM 1024 CZ TYR A 69 4.127 7.031 19.055 1.00 0.00 C ATOM 1025 OH TYR A 69 3.393 7.653 20.041 1.00 0.00 O ATOM 0 H TYR A 69 7.554 4.218 13.844 1.00 0.00 H new ATOM 0 HA TYR A 69 5.189 5.873 14.425 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.118 4.021 15.958 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.467 5.097 16.266 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.968 6.261 15.787 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.054 5.440 18.607 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.659 7.370 17.541 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.747 6.553 20.361 1.00 0.00 H new ATOM 0 HH TYR A 69 3.843 7.541 20.904 1.00 0.00 H new ATOM 1035 N ASP A 70 8.290 6.925 14.185 1.00 0.00 N ATOM 1036 CA ASP A 70 9.097 8.130 13.984 1.00 0.00 C ATOM 1037 C ASP A 70 8.706 8.820 12.671 1.00 0.00 C ATOM 1038 O ASP A 70 8.518 10.036 12.649 1.00 0.00 O ATOM 1039 CB ASP A 70 10.598 7.806 14.029 1.00 0.00 C ATOM 1040 CG ASP A 70 11.480 9.013 13.781 1.00 0.00 C ATOM 1041 OD1 ASP A 70 11.820 9.264 12.605 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.859 9.683 14.763 1.00 0.00 O ATOM 0 H ASP A 70 8.800 6.049 14.070 1.00 0.00 H new ATOM 0 HA ASP A 70 8.894 8.822 14.801 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.842 7.381 15.003 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.820 7.043 13.283 1.00 0.00 H new ATOM 1047 N PRO A 71 8.577 8.072 11.547 1.00 0.00 N ATOM 1048 CA PRO A 71 7.933 8.570 10.350 1.00 0.00 C ATOM 1049 C PRO A 71 6.486 8.080 10.279 1.00 0.00 C ATOM 1050 O PRO A 71 6.210 7.007 9.735 1.00 0.00 O ATOM 1051 CB PRO A 71 8.775 7.954 9.229 1.00 0.00 C ATOM 1052 CG PRO A 71 9.458 6.759 9.837 1.00 0.00 C ATOM 1053 CD PRO A 71 9.084 6.718 11.301 1.00 0.00 C ATOM 0 HA PRO A 71 7.883 9.658 10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.149 7.660 8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.504 8.670 8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.146 5.843 9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.539 6.834 9.719 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.327 5.960 11.504 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.943 6.487 11.931 1.00 0.00 H new ATOM 1061 N PRO A 72 5.545 8.852 10.846 1.00 0.00 N ATOM 1062 CA PRO A 72 4.150 8.435 11.012 1.00 0.00 C ATOM 1063 C PRO A 72 3.347 8.547 9.720 1.00 0.00 C ATOM 1064 O PRO A 72 2.238 9.082 9.703 1.00 0.00 O ATOM 1065 CB PRO A 72 3.603 9.408 12.070 1.00 0.00 C ATOM 1066 CG PRO A 72 4.754 10.273 12.480 1.00 0.00 C ATOM 1067 CD PRO A 72 5.752 10.204 11.364 1.00 0.00 C ATOM 0 HA PRO A 72 4.076 7.386 11.300 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.791 10.009 11.662 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.200 8.866 12.925 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.428 11.300 12.647 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.191 9.921 13.414 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.566 10.964 10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.772 10.352 11.720 1.00 0.00 H new ATOM 1075 N GLU A 73 3.901 8.005 8.648 1.00 0.00 N ATOM 1076 CA GLU A 73 3.268 8.054 7.340 1.00 0.00 C ATOM 1077 C GLU A 73 2.256 6.923 7.189 1.00 0.00 C ATOM 1078 O GLU A 73 1.555 6.828 6.181 1.00 0.00 O ATOM 1079 CB GLU A 73 4.337 7.963 6.252 1.00 0.00 C ATOM 1080 CG GLU A 73 5.383 9.060 6.352 1.00 0.00 C ATOM 1081 CD GLU A 73 6.554 8.833 5.425 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.519 8.161 5.840 1.00 0.00 O ATOM 1083 OE2 GLU A 73 6.517 9.326 4.278 1.00 0.00 O ATOM 0 H GLU A 73 4.799 7.520 8.659 1.00 0.00 H new ATOM 0 HA GLU A 73 2.734 8.999 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.829 6.993 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.857 8.014 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.921 10.020 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.744 9.120 7.379 1.00 0.00 H new ATOM 1090 N GLY A 74 2.187 6.069 8.203 1.00 0.00 N ATOM 1091 CA GLY A 74 1.235 4.978 8.194 1.00 0.00 C ATOM 1092 C GLY A 74 1.680 3.829 7.316 1.00 0.00 C ATOM 1093 O GLY A 74 1.091 3.574 6.268 1.00 0.00 O ATOM 0 H GLY A 74 2.777 6.114 9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.090 4.618 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.270 5.345 7.845 1.00 0.00 H new ATOM 1097 N TRP A 75 2.724 3.138 7.737 1.00 0.00 N ATOM 1098 CA TRP A 75 3.221 1.987 7.002 1.00 0.00 C ATOM 1099 C TRP A 75 3.642 0.889 7.966 1.00 0.00 C ATOM 1100 O TRP A 75 4.173 1.168 9.045 1.00 0.00 O ATOM 1101 CB TRP A 75 4.382 2.381 6.077 1.00 0.00 C ATOM 1102 CG TRP A 75 5.486 3.141 6.754 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.578 4.497 6.896 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.662 2.594 7.365 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.731 4.825 7.562 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.415 3.675 7.860 1.00 0.00 C ATOM 1107 CE3 TRP A 75 7.149 1.295 7.545 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.626 3.498 8.522 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.353 1.121 8.201 1.00 0.00 C ATOM 1110 CH2 TRP A 75 9.079 2.217 8.682 1.00 0.00 C ATOM 0 H TRP A 75 3.246 3.354 8.586 1.00 0.00 H new ATOM 0 HA TRP A 75 2.415 1.606 6.375 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.799 1.477 5.633 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.990 2.986 5.260 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.848 5.207 6.536 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.031 5.771 7.797 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.594 0.444 7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.188 4.341 8.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.740 0.123 8.345 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.017 2.048 9.190 1.00 0.00 H new ATOM 1121 N GLY A 76 3.393 -0.352 7.579 1.00 0.00 N ATOM 1122 CA GLY A 76 3.685 -1.471 8.447 1.00 0.00 C ATOM 1123 C GLY A 76 4.706 -2.419 7.857 1.00 0.00 C ATOM 1124 O GLY A 76 4.659 -2.742 6.667 1.00 0.00 O ATOM 0 H GLY A 76 2.992 -0.604 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.052 -1.097 9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.764 -2.017 8.651 1.00 0.00 H new ATOM 1128 N TRP A 77 5.624 -2.869 8.698 1.00 0.00 N ATOM 1129 CA TRP A 77 6.656 -3.808 8.295 1.00 0.00 C ATOM 1130 C TRP A 77 6.410 -5.156 8.960 1.00 0.00 C ATOM 1131 O TRP A 77 6.179 -5.228 10.168 1.00 0.00 O ATOM 1132 CB TRP A 77 8.038 -3.266 8.679 1.00 0.00 C ATOM 1133 CG TRP A 77 9.174 -4.183 8.330 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.877 -4.983 9.186 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.740 -4.390 7.032 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.846 -5.671 8.498 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.782 -5.325 7.174 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.469 -3.875 5.761 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.549 -5.756 6.095 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.231 -4.303 4.691 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.260 -5.235 4.864 1.00 0.00 C ATOM 0 H TRP A 77 5.674 -2.593 9.679 1.00 0.00 H new ATOM 0 HA TRP A 77 6.623 -3.937 7.213 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.192 -2.308 8.182 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.056 -3.074 9.752 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.697 -5.063 10.248 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.506 -6.332 8.907 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.677 -3.155 5.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.344 -6.476 6.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.029 -3.912 3.705 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.838 -5.550 4.008 1.00 0.00 H new ATOM 1152 N CYS A 78 6.442 -6.215 8.172 1.00 0.00 N ATOM 1153 CA CYS A 78 6.228 -7.554 8.697 1.00 0.00 C ATOM 1154 C CYS A 78 7.532 -8.340 8.622 1.00 0.00 C ATOM 1155 O CYS A 78 8.023 -8.613 7.534 1.00 0.00 O ATOM 1156 CB CYS A 78 5.126 -8.257 7.903 1.00 0.00 C ATOM 1157 SG CYS A 78 4.276 -9.596 8.804 1.00 0.00 S ATOM 0 H CYS A 78 6.614 -6.176 7.167 1.00 0.00 H new ATOM 0 HA CYS A 78 5.912 -7.493 9.738 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.387 -7.516 7.598 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.559 -8.669 6.991 1.00 0.00 H new ATOM 1162 N TYR A 79 8.082 -8.693 9.782 1.00 0.00 N ATOM 1163 CA TYR A 79 9.409 -9.314 9.871 1.00 0.00 C ATOM 1164 C TYR A 79 9.548 -10.561 8.998 1.00 0.00 C ATOM 1165 O TYR A 79 10.330 -10.572 8.050 1.00 0.00 O ATOM 1166 CB TYR A 79 9.735 -9.674 11.321 1.00 0.00 C ATOM 1167 CG TYR A 79 10.012 -8.478 12.201 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.193 -7.760 12.069 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.103 -8.074 13.169 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.460 -6.673 12.876 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.362 -6.987 13.979 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.542 -6.291 13.828 1.00 0.00 C ATOM 1173 OH TYR A 79 10.807 -5.210 14.637 1.00 0.00 O ATOM 0 H TYR A 79 7.626 -8.559 10.684 1.00 0.00 H new ATOM 0 HA TYR A 79 10.116 -8.573 9.498 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.902 -10.237 11.741 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.604 -10.332 11.335 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.915 -8.057 11.322 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.178 -8.619 13.290 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.384 -6.125 12.761 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.644 -6.684 14.727 1.00 0.00 H new ATOM 0 HH TYR A 79 10.511 -5.405 15.551 1.00 0.00 H new ATOM 1183 N VAL A 80 8.791 -11.605 9.317 1.00 0.00 N ATOM 1184 CA VAL A 80 8.920 -12.891 8.624 1.00 0.00 C ATOM 1185 C VAL A 80 8.529 -12.799 7.148 1.00 0.00 C ATOM 1186 O VAL A 80 8.898 -13.653 6.346 1.00 0.00 O ATOM 1187 CB VAL A 80 8.093 -14.001 9.310 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.706 -14.369 10.651 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.645 -13.573 9.491 1.00 0.00 C ATOM 0 H VAL A 80 8.081 -11.591 10.049 1.00 0.00 H new ATOM 0 HA VAL A 80 9.976 -13.154 8.682 1.00 0.00 H new ATOM 0 HB VAL A 80 8.109 -14.879 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.111 -15.152 11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.724 -14.728 10.499 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.724 -13.491 11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.087 -14.374 9.976 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.605 -12.676 10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.204 -13.362 8.517 1.00 0.00 H new ATOM 1199 N ASP A 81 7.770 -11.774 6.800 1.00 0.00 N ATOM 1200 CA ASP A 81 7.325 -11.583 5.423 1.00 0.00 C ATOM 1201 C ASP A 81 8.343 -10.756 4.654 1.00 0.00 C ATOM 1202 O ASP A 81 8.545 -10.956 3.456 1.00 0.00 O ATOM 1203 CB ASP A 81 5.977 -10.856 5.375 1.00 0.00 C ATOM 1204 CG ASP A 81 4.884 -11.531 6.177 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.125 -11.893 7.341 1.00 0.00 O ATOM 1206 OD2 ASP A 81 3.751 -11.642 5.676 1.00 0.00 O ATOM 0 H ASP A 81 7.447 -11.058 7.451 1.00 0.00 H new ATOM 0 HA ASP A 81 7.220 -12.569 4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.111 -9.840 5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.655 -10.777 4.337 1.00 0.00 H new ATOM 1211 N GLU A 82 8.960 -9.811 5.365 1.00 0.00 N ATOM 1212 CA GLU A 82 9.898 -8.853 4.781 1.00 0.00 C ATOM 1213 C GLU A 82 9.183 -7.961 3.774 1.00 0.00 C ATOM 1214 O GLU A 82 9.783 -7.450 2.828 1.00 0.00 O ATOM 1215 CB GLU A 82 11.100 -9.559 4.142 1.00 0.00 C ATOM 1216 CG GLU A 82 11.963 -10.298 5.152 1.00 0.00 C ATOM 1217 CD GLU A 82 13.278 -10.766 4.571 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.311 -11.845 3.954 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.291 -10.057 4.739 1.00 0.00 O ATOM 0 H GLU A 82 8.822 -9.689 6.368 1.00 0.00 H new ATOM 0 HA GLU A 82 10.285 -8.226 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.743 -10.265 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.711 -8.823 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.159 -9.644 6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.413 -11.159 5.532 1.00 0.00 H new ATOM 1226 N VAL A 83 7.894 -7.761 4.011 1.00 0.00 N ATOM 1227 CA VAL A 83 7.083 -6.903 3.169 1.00 0.00 C ATOM 1228 C VAL A 83 6.688 -5.640 3.920 1.00 0.00 C ATOM 1229 O VAL A 83 6.535 -5.655 5.148 1.00 0.00 O ATOM 1230 CB VAL A 83 5.803 -7.617 2.676 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.153 -8.887 1.917 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.860 -7.922 3.834 1.00 0.00 C ATOM 0 H VAL A 83 7.387 -8.187 4.787 1.00 0.00 H new ATOM 0 HA VAL A 83 7.690 -6.646 2.301 1.00 0.00 H new ATOM 0 HB VAL A 83 5.286 -6.942 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.238 -9.373 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.770 -8.637 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.702 -9.563 2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.969 -8.424 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.363 -8.569 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.572 -6.992 4.323 1.00 0.00 H new ATOM 1242 N MET A 84 6.541 -4.551 3.184 1.00 0.00 N ATOM 1243 CA MET A 84 6.092 -3.296 3.760 1.00 0.00 C ATOM 1244 C MET A 84 4.802 -2.858 3.082 1.00 0.00 C ATOM 1245 O MET A 84 4.746 -2.729 1.857 1.00 0.00 O ATOM 1246 CB MET A 84 7.169 -2.220 3.613 1.00 0.00 C ATOM 1247 CG MET A 84 6.834 -0.918 4.321 1.00 0.00 C ATOM 1248 SD MET A 84 8.219 0.236 4.341 1.00 0.00 S ATOM 1249 CE MET A 84 8.521 0.442 2.587 1.00 0.00 C ATOM 0 H MET A 84 6.727 -4.512 2.182 1.00 0.00 H new ATOM 0 HA MET A 84 5.904 -3.440 4.824 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.110 -2.605 4.006 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.325 -2.017 2.553 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.982 -0.449 3.828 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.530 -1.133 5.345 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.171 1.303 2.428 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.002 -0.453 2.193 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.574 0.602 2.071 1.00 0.00 H new ATOM 1259 N PHE A 85 3.767 -2.649 3.875 1.00 0.00 N ATOM 1260 CA PHE A 85 2.456 -2.311 3.346 1.00 0.00 C ATOM 1261 C PHE A 85 1.928 -1.030 3.978 1.00 0.00 C ATOM 1262 O PHE A 85 2.468 -0.553 4.978 1.00 0.00 O ATOM 1263 CB PHE A 85 1.477 -3.473 3.564 1.00 0.00 C ATOM 1264 CG PHE A 85 1.482 -4.031 4.962 1.00 0.00 C ATOM 1265 CD1 PHE A 85 0.649 -3.508 5.936 1.00 0.00 C ATOM 1266 CD2 PHE A 85 2.321 -5.084 5.298 1.00 0.00 C ATOM 1267 CE1 PHE A 85 0.652 -4.022 7.218 1.00 0.00 C ATOM 1268 CE2 PHE A 85 2.328 -5.602 6.579 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.493 -5.070 7.540 1.00 0.00 C ATOM 0 H PHE A 85 3.808 -2.707 4.892 1.00 0.00 H new ATOM 0 HA PHE A 85 2.552 -2.138 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.469 -3.134 3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.719 -4.273 2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.011 -2.689 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.976 -5.504 4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.003 -3.605 7.969 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.986 -6.422 6.828 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.497 -5.472 8.542 1.00 0.00 H new ATOM 1279 N ASP A 86 0.879 -0.478 3.388 1.00 0.00 N ATOM 1280 CA ASP A 86 0.304 0.777 3.852 1.00 0.00 C ATOM 1281 C ASP A 86 -0.674 0.545 4.994 1.00 0.00 C ATOM 1282 O ASP A 86 -1.490 -0.374 4.954 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.401 1.499 2.701 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.176 2.718 3.160 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -0.547 3.700 3.605 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -2.422 2.700 3.070 1.00 0.00 O ATOM 0 H ASP A 86 0.405 -0.883 2.581 1.00 0.00 H new ATOM 0 HA ASP A 86 1.119 1.401 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.339 1.802 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.082 0.806 2.206 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.575 1.384 6.012 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.467 1.325 7.159 1.00 0.00 C ATOM 1293 C LEU A 87 -1.947 2.721 7.522 1.00 0.00 C ATOM 1294 O LEU A 87 -2.404 2.950 8.633 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.759 0.703 8.368 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.575 -0.814 8.322 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.196 -1.289 9.545 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.926 -1.510 8.244 1.00 0.00 C ATOM 0 H LEU A 87 0.125 2.124 6.067 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.321 0.703 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.222 1.166 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.324 0.955 9.265 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.003 -1.068 7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.320 -2.371 9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.176 -0.812 9.565 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.355 -1.025 10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.778 -2.589 8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.520 -1.251 9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.449 -1.189 7.343 1.00 0.00 H new ATOM 1310 N SER A 88 -1.860 3.647 6.574 1.00 0.00 N ATOM 1311 CA SER A 88 -2.195 5.046 6.830 1.00 0.00 C ATOM 1312 C SER A 88 -3.632 5.202 7.334 1.00 0.00 C ATOM 1313 O SER A 88 -3.919 6.068 8.160 1.00 0.00 O ATOM 1314 CB SER A 88 -1.984 5.877 5.561 1.00 0.00 C ATOM 1315 OG SER A 88 -2.300 7.243 5.778 1.00 0.00 O ATOM 0 H SER A 88 -1.560 3.455 5.618 1.00 0.00 H new ATOM 0 HA SER A 88 -1.531 5.410 7.614 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.948 5.789 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.606 5.481 4.758 1.00 0.00 H new ATOM 0 HG SER A 88 -2.154 7.748 4.951 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.528 4.347 6.859 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.937 4.440 7.230 1.00 0.00 C ATOM 1323 C ASP A 89 -6.246 3.523 8.407 1.00 0.00 C ATOM 1324 O ASP A 89 -7.403 3.361 8.794 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.835 4.074 6.044 1.00 0.00 C ATOM 1326 CG ASP A 89 -6.505 4.862 4.794 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -6.761 6.082 4.764 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -5.972 4.263 3.836 1.00 0.00 O ATOM 0 H ASP A 89 -4.308 3.584 6.219 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.138 5.471 7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.735 3.009 5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.876 4.250 6.315 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.208 2.920 8.968 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.356 1.991 10.084 1.00 0.00 C ATOM 1335 C ARG A 90 -4.260 2.219 11.116 1.00 0.00 C ATOM 1336 O ARG A 90 -4.035 1.377 11.984 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.276 0.544 9.581 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.454 0.109 8.725 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.241 -1.287 8.158 1.00 0.00 C ATOM 1340 NE ARG A 90 -5.918 -2.265 9.198 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.357 -3.522 9.207 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.187 -3.951 8.265 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -5.975 -4.344 10.173 1.00 0.00 N ATOM 0 H ARG A 90 -4.244 3.058 8.666 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.328 2.166 10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.359 0.423 9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.202 -0.123 10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.366 0.126 9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.594 0.818 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.141 -1.604 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.435 -1.260 7.425 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.318 -1.964 9.966 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.493 -3.316 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.519 -4.915 8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.347 -4.013 10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.309 -5.308 10.184 1.00 0.00 H new ATOM 1357 N MET A 91 -3.601 3.370 11.030 1.00 0.00 N ATOM 1358 CA MET A 91 -2.382 3.625 11.796 1.00 0.00 C ATOM 1359 C MET A 91 -2.660 3.844 13.278 1.00 0.00 C ATOM 1360 O MET A 91 -3.811 3.991 13.701 1.00 0.00 O ATOM 1361 CB MET A 91 -1.630 4.833 11.227 1.00 0.00 C ATOM 1362 CG MET A 91 -2.403 6.138 11.311 1.00 0.00 C ATOM 1363 SD MET A 91 -1.431 7.552 10.760 1.00 0.00 S ATOM 1364 CE MET A 91 -0.109 7.539 11.971 1.00 0.00 C ATOM 0 H MET A 91 -3.891 4.146 10.435 1.00 0.00 H new ATOM 0 HA MET A 91 -1.763 2.733 11.705 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.687 4.946 11.762 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.383 4.636 10.184 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.305 6.062 10.704 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.724 6.301 12.340 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.366 8.520 12.002 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.518 7.303 12.953 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.630 6.786 11.695 1.00 0.00 H new ATOM 1374 N THR A 92 -1.590 3.851 14.054 1.00 0.00 N ATOM 1375 CA THR A 92 -1.666 4.050 15.487 1.00 0.00 C ATOM 1376 C THR A 92 -1.603 5.536 15.832 1.00 0.00 C ATOM 1377 O THR A 92 -0.723 6.252 15.354 1.00 0.00 O ATOM 1378 CB THR A 92 -0.499 3.329 16.188 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.344 2.013 15.642 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.737 3.234 17.684 1.00 0.00 C ATOM 0 H THR A 92 -0.641 3.718 13.704 1.00 0.00 H new ATOM 0 HA THR A 92 -2.616 3.640 15.831 1.00 0.00 H new ATOM 0 HB THR A 92 0.410 3.907 16.019 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.075 2.073 14.758 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.102 2.721 18.154 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.829 4.236 18.102 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.655 2.677 17.872 1.00 0.00 H new ATOM 1388 N PRO A 93 -2.546 6.027 16.647 1.00 0.00 N ATOM 1389 CA PRO A 93 -2.510 7.404 17.142 1.00 0.00 C ATOM 1390 C PRO A 93 -1.377 7.607 18.145 1.00 0.00 C ATOM 1391 O PRO A 93 -1.303 6.904 19.156 1.00 0.00 O ATOM 1392 CB PRO A 93 -3.870 7.579 17.823 1.00 0.00 C ATOM 1393 CG PRO A 93 -4.299 6.199 18.189 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.720 5.286 17.144 1.00 0.00 C ATOM 0 HA PRO A 93 -2.332 8.127 16.346 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.791 8.215 18.705 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.589 8.051 17.153 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.939 5.931 19.182 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.386 6.123 18.212 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.436 4.322 17.567 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.435 5.086 16.346 1.00 0.00 H new ATOM 1402 N HIS A 94 -0.488 8.552 17.857 1.00 0.00 N ATOM 1403 CA HIS A 94 0.646 8.821 18.737 1.00 0.00 C ATOM 1404 C HIS A 94 0.164 9.265 20.117 1.00 0.00 C ATOM 1405 O HIS A 94 -0.849 9.958 20.239 1.00 0.00 O ATOM 1406 CB HIS A 94 1.596 9.866 18.125 1.00 0.00 C ATOM 1407 CG HIS A 94 1.021 11.245 17.980 1.00 0.00 C ATOM 1408 ND1 HIS A 94 0.423 11.695 16.823 1.00 0.00 N ATOM 1409 CD2 HIS A 94 0.983 12.284 18.847 1.00 0.00 C ATOM 1410 CE1 HIS A 94 0.043 12.948 16.983 1.00 0.00 C ATOM 1411 NE2 HIS A 94 0.372 13.328 18.202 1.00 0.00 N ATOM 0 H HIS A 94 -0.529 9.142 17.026 1.00 0.00 H new ATOM 0 HA HIS A 94 1.207 7.893 18.851 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.491 9.926 18.744 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.911 9.516 17.142 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.363 12.289 19.858 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.453 13.558 16.242 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.200 14.251 18.601 1.00 0.00 H new ATOM 1420 N ASN A 95 0.889 8.861 21.150 1.00 0.00 N ATOM 1421 CA ASN A 95 0.469 9.121 22.523 1.00 0.00 C ATOM 1422 C ASN A 95 0.961 10.478 23.018 1.00 0.00 C ATOM 1423 O ASN A 95 0.284 11.148 23.798 1.00 0.00 O ATOM 1424 CB ASN A 95 0.945 8.000 23.460 1.00 0.00 C ATOM 1425 CG ASN A 95 2.455 7.932 23.617 1.00 0.00 C ATOM 1426 OD1 ASN A 95 3.212 8.297 22.717 1.00 0.00 O ATOM 1427 ND2 ASN A 95 2.904 7.448 24.763 1.00 0.00 N ATOM 0 H ASN A 95 1.769 8.353 21.066 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.621 9.143 22.531 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.493 8.143 24.442 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.585 7.044 23.080 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.908 7.367 24.924 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.246 7.156 25.486 1.00 0.00 H new ATOM 1434 N GLY A 96 2.130 10.890 22.558 1.00 0.00 N ATOM 1435 CA GLY A 96 2.685 12.151 22.990 1.00 0.00 C ATOM 1436 C GLY A 96 3.711 12.685 22.019 1.00 0.00 C ATOM 1437 O GLY A 96 3.845 12.161 20.911 1.00 0.00 O ATOM 0 H GLY A 96 2.704 10.373 21.893 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.882 12.879 23.105 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.145 12.027 23.970 1.00 0.00 H new ATOM 1441 N PRO A 97 4.445 13.735 22.407 1.00 0.00 N ATOM 1442 CA PRO A 97 5.491 14.323 21.571 1.00 0.00 C ATOM 1443 C PRO A 97 6.734 13.443 21.506 1.00 0.00 C ATOM 1444 O PRO A 97 7.109 12.804 22.488 1.00 0.00 O ATOM 1445 CB PRO A 97 5.804 15.640 22.277 1.00 0.00 C ATOM 1446 CG PRO A 97 5.475 15.387 23.705 1.00 0.00 C ATOM 1447 CD PRO A 97 4.309 14.437 23.698 1.00 0.00 C ATOM 0 HA PRO A 97 5.172 14.445 20.536 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.851 15.916 22.154 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.209 16.458 21.872 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.327 14.956 24.231 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.220 16.315 24.217 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.351 13.744 24.538 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.359 14.967 23.769 1.00 0.00 H new ATOM 1455 N ILE A 98 7.369 13.416 20.348 1.00 0.00 N ATOM 1456 CA ILE A 98 8.565 12.614 20.153 1.00 0.00 C ATOM 1457 C ILE A 98 9.748 13.509 19.804 1.00 0.00 C ATOM 1458 O ILE A 98 9.653 14.338 18.896 1.00 0.00 O ATOM 1459 CB ILE A 98 8.361 11.566 19.036 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.226 10.609 19.413 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.650 10.795 18.773 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.938 9.558 18.363 1.00 0.00 C ATOM 0 H ILE A 98 7.075 13.942 19.525 1.00 0.00 H new ATOM 0 HA ILE A 98 8.769 12.088 21.086 1.00 0.00 H new ATOM 0 HB ILE A 98 8.089 12.087 18.118 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.478 10.113 20.350 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.320 11.188 19.592 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.482 10.063 17.983 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.432 11.489 18.464 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.959 10.281 19.683 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.123 8.919 18.702 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.654 10.044 17.430 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.830 8.953 18.200 1.00 0.00 H new ATOM 1474 N PRO A 99 10.861 13.386 20.549 1.00 0.00 N ATOM 1475 CA PRO A 99 12.091 14.126 20.262 1.00 0.00 C ATOM 1476 C PRO A 99 12.630 13.808 18.871 1.00 0.00 C ATOM 1477 O PRO A 99 13.130 12.712 18.617 1.00 0.00 O ATOM 1478 CB PRO A 99 13.069 13.649 21.343 1.00 0.00 C ATOM 1479 CG PRO A 99 12.208 13.096 22.425 1.00 0.00 C ATOM 1480 CD PRO A 99 11.001 12.527 21.736 1.00 0.00 C ATOM 0 HA PRO A 99 11.932 15.204 20.274 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.749 12.891 20.954 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.684 14.471 21.709 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.735 12.327 22.990 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.923 13.873 23.134 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.148 11.482 21.463 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.116 12.569 22.371 1.00 0.00 H new ATOM 1488 N ARG A 100 12.509 14.774 17.976 1.00 0.00 N ATOM 1489 CA ARG A 100 12.920 14.605 16.592 1.00 0.00 C ATOM 1490 C ARG A 100 14.437 14.708 16.484 1.00 0.00 C ATOM 1491 O ARG A 100 15.011 15.772 16.704 1.00 0.00 O ATOM 1492 CB ARG A 100 12.222 15.668 15.725 1.00 0.00 C ATOM 1493 CG ARG A 100 12.410 15.509 14.219 1.00 0.00 C ATOM 1494 CD ARG A 100 13.732 16.090 13.737 1.00 0.00 C ATOM 1495 NE ARG A 100 13.878 17.505 14.083 1.00 0.00 N ATOM 1496 CZ ARG A 100 15.034 18.167 14.029 1.00 0.00 C ATOM 1497 NH1 ARG A 100 16.125 17.567 13.568 1.00 0.00 N ATOM 1498 NH2 ARG A 100 15.090 19.441 14.402 1.00 0.00 N ATOM 0 H ARG A 100 12.124 15.695 18.187 1.00 0.00 H new ATOM 0 HA ARG A 100 12.628 13.618 16.233 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.155 15.649 15.945 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.590 16.651 16.018 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.364 14.451 13.959 1.00 0.00 H new ATOM 0 HG3 ARG A 100 11.588 16.001 13.699 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.555 15.525 14.174 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.804 15.974 12.656 1.00 0.00 H new ATOM 0 HE ARG A 100 13.047 18.014 14.383 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.080 16.598 13.254 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.008 18.076 13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.248 19.914 14.730 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.975 19.946 14.360 1.00 0.00 H new ATOM 1512 N TYR A 101 15.085 13.594 16.175 1.00 0.00 N ATOM 1513 CA TYR A 101 16.535 13.583 16.020 1.00 0.00 C ATOM 1514 C TYR A 101 16.933 13.614 14.547 1.00 0.00 C ATOM 1515 O TYR A 101 18.047 14.015 14.206 1.00 0.00 O ATOM 1516 CB TYR A 101 17.147 12.356 16.701 1.00 0.00 C ATOM 1517 CG TYR A 101 17.001 12.351 18.208 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.739 13.222 19.003 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.134 11.468 18.837 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.614 13.212 20.380 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.003 11.454 20.212 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.745 12.326 20.980 1.00 0.00 C ATOM 1523 OH TYR A 101 16.619 12.305 22.352 1.00 0.00 O ATOM 0 H TYR A 101 14.635 12.691 16.027 1.00 0.00 H new ATOM 0 HA TYR A 101 16.923 14.481 16.501 1.00 0.00 H new ATOM 0 HB2 TYR A 101 16.679 11.458 16.298 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.206 12.304 16.449 1.00 0.00 H new ATOM 0 HD1 TYR A 101 18.421 13.918 18.537 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.552 10.780 18.241 1.00 0.00 H new ATOM 0 HE1 TYR A 101 18.194 13.895 20.983 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.321 10.762 20.684 1.00 0.00 H new ATOM 0 HH TYR A 101 15.964 11.623 22.610 1.00 0.00 H new ATOM 1533 N VAL A 102 16.024 13.185 13.680 1.00 0.00 N ATOM 1534 CA VAL A 102 16.278 13.185 12.244 1.00 0.00 C ATOM 1535 C VAL A 102 15.714 14.445 11.588 1.00 0.00 C ATOM 1536 O VAL A 102 14.629 14.384 10.973 1.00 0.00 O ATOM 1537 CB VAL A 102 15.704 11.923 11.559 1.00 0.00 C ATOM 1538 CG1 VAL A 102 16.615 10.731 11.802 1.00 0.00 C ATOM 1539 CG2 VAL A 102 14.296 11.618 12.060 1.00 0.00 C ATOM 1540 OXT VAL A 102 16.352 15.510 11.723 1.00 0.00 O ATOM 0 H VAL A 102 15.104 12.833 13.946 1.00 0.00 H new ATOM 0 HA VAL A 102 17.360 13.175 12.111 1.00 0.00 H new ATOM 0 HB VAL A 102 15.649 12.116 10.488 1.00 0.00 H new ATOM 0 HG11 VAL A 102 16.199 9.850 11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 102 17.604 10.939 11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 102 16.697 10.548 12.873 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.918 10.726 11.561 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.322 11.449 13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.641 12.461 11.841 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 2.998 -11.072 7.484 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 4.941 -6.444 20.622 1.00 0.00 ZN