USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 68 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -177:sc= -0.136 (180deg=-0.14) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 157:sc= -0.187 (180deg=-1.31) USER MOD Single : A 21 ASN : amide:sc= -2.02! K(o=-2!,f=-0.0095) USER MOD Single : A 23 MET CE :methyl -153:sc= -2.33 (180deg=-4.99!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc=-0.00268 (180deg=-0.134) USER MOD Single : A 26 GLN : amide:sc= -7.06! K(o=-7.1!,f=-1.8) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.306) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -2.17 K(o=-2.2,f=-1.5) USER MOD Single : A 46 HIS : no HD1:sc= -0.376 K(o=-0.38,f=-1.4) USER MOD Single : A 47 TYR OH : rot -15:sc= -1.19 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.542 K(o=-0.54,f=-6!) USER MOD Single : A 61 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.548 26.821 3.583 1.00 0.00 N ATOM 2 CA GLY A 1 5.571 27.971 2.635 1.00 0.00 C ATOM 3 C GLY A 1 5.265 27.475 1.220 1.00 0.00 C ATOM 4 O GLY A 1 5.276 28.232 0.271 1.00 0.00 O ATOM 0 H1 GLY A 1 5.706 27.166 4.551 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.624 26.346 3.531 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.298 26.147 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.837 28.718 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.547 28.455 2.658 1.00 0.00 H new ATOM 10 N SER A 2 4.994 26.207 1.073 1.00 0.00 N ATOM 11 CA SER A 2 4.690 25.663 -0.281 1.00 0.00 C ATOM 12 C SER A 2 4.263 24.199 -0.158 1.00 0.00 C ATOM 13 O SER A 2 4.104 23.677 0.928 1.00 0.00 O ATOM 14 CB SER A 2 5.936 25.758 -1.162 1.00 0.00 C ATOM 15 OG SER A 2 7.054 25.246 -0.449 1.00 0.00 O ATOM 0 H SER A 2 4.970 25.525 1.831 1.00 0.00 H new ATOM 0 HA SER A 2 3.883 26.241 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.788 25.194 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.116 26.794 -1.448 1.00 0.00 H new ATOM 0 HG SER A 2 7.855 25.304 -1.011 1.00 0.00 H new ATOM 21 N MET A 3 4.077 23.530 -1.263 1.00 0.00 N ATOM 22 CA MET A 3 3.661 22.100 -1.207 1.00 0.00 C ATOM 23 C MET A 3 4.579 21.340 -0.248 1.00 0.00 C ATOM 24 O MET A 3 5.784 21.493 -0.272 1.00 0.00 O ATOM 25 CB MET A 3 3.762 21.485 -2.604 1.00 0.00 C ATOM 26 CG MET A 3 2.859 22.256 -3.569 1.00 0.00 C ATOM 27 SD MET A 3 3.297 21.833 -5.274 1.00 0.00 S ATOM 28 CE MET A 3 3.091 20.041 -5.123 1.00 0.00 C ATOM 0 H MET A 3 4.195 23.912 -2.202 1.00 0.00 H new ATOM 0 HA MET A 3 2.632 22.034 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.794 21.516 -2.952 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.467 20.436 -2.573 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.814 22.012 -3.379 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.970 23.329 -3.409 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.909 19.611 -6.108 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.996 19.605 -4.699 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.244 19.826 -4.471 1.00 0.00 H new ATOM 38 N GLY A 4 4.019 20.520 0.600 1.00 0.00 N ATOM 39 CA GLY A 4 4.860 19.752 1.560 1.00 0.00 C ATOM 40 C GLY A 4 4.048 18.594 2.142 1.00 0.00 C ATOM 41 O GLY A 4 4.514 17.474 2.218 1.00 0.00 O ATOM 0 H GLY A 4 3.016 20.349 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.748 19.370 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.205 20.406 2.361 1.00 0.00 H new ATOM 45 N VAL A 5 2.837 18.853 2.552 1.00 0.00 N ATOM 46 CA VAL A 5 1.999 17.766 3.130 1.00 0.00 C ATOM 47 C VAL A 5 1.690 16.726 2.045 1.00 0.00 C ATOM 48 O VAL A 5 1.236 17.075 0.973 1.00 0.00 O ATOM 49 CB VAL A 5 0.673 18.353 3.640 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.433 17.305 3.532 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.802 18.769 5.105 1.00 0.00 C ATOM 0 H VAL A 5 2.392 19.770 2.512 1.00 0.00 H new ATOM 0 HA VAL A 5 2.539 17.298 3.953 1.00 0.00 H new ATOM 0 HB VAL A 5 0.429 19.224 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.370 17.727 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.549 17.005 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.170 16.435 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.145 19.183 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.060 17.899 5.709 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.584 19.523 5.202 1.00 0.00 H new ATOM 61 N PRO A 6 1.915 15.475 2.362 1.00 0.00 N ATOM 62 CA PRO A 6 1.634 14.376 1.436 1.00 0.00 C ATOM 63 C PRO A 6 0.139 14.162 1.371 1.00 0.00 C ATOM 64 O PRO A 6 -0.602 14.620 2.215 1.00 0.00 O ATOM 65 CB PRO A 6 2.318 13.152 2.052 1.00 0.00 C ATOM 66 CG PRO A 6 2.816 13.566 3.457 1.00 0.00 C ATOM 67 CD PRO A 6 2.479 15.046 3.653 1.00 0.00 C ATOM 0 HA PRO A 6 1.991 14.570 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.622 12.316 2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.150 12.823 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.338 12.960 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.890 13.403 3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.764 15.185 4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.367 15.624 3.909 1.00 0.00 H new ATOM 75 N ILE A 7 -0.306 13.469 0.377 1.00 0.00 N ATOM 76 CA ILE A 7 -1.757 13.222 0.255 1.00 0.00 C ATOM 77 C ILE A 7 -1.991 11.762 -0.092 1.00 0.00 C ATOM 78 O ILE A 7 -1.513 11.251 -1.086 1.00 0.00 O ATOM 79 CB ILE A 7 -2.337 14.150 -0.803 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.489 15.529 -0.163 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.699 13.624 -1.240 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.923 16.567 -1.191 1.00 0.00 C ATOM 0 H ILE A 7 0.271 13.061 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.260 13.429 1.200 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.689 14.205 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.223 15.481 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.543 15.831 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.118 14.286 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.586 12.622 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.368 13.587 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.023 17.539 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.175 16.631 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.881 16.275 -1.621 1.00 0.00 H new ATOM 94 N CYS A 8 -2.702 11.086 0.755 1.00 0.00 N ATOM 95 CA CYS A 8 -2.964 9.647 0.540 1.00 0.00 C ATOM 96 C CYS A 8 -3.652 9.437 -0.801 1.00 0.00 C ATOM 97 O CYS A 8 -4.752 9.898 -1.035 1.00 0.00 O ATOM 98 CB CYS A 8 -3.834 9.119 1.678 1.00 0.00 C ATOM 99 SG CYS A 8 -4.407 7.448 1.293 1.00 0.00 S ATOM 0 H CYS A 8 -3.119 11.477 1.600 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.021 9.101 0.529 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.266 9.112 2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.688 9.779 1.831 1.00 0.00 H new ATOM 104 N GLY A 9 -3.000 8.743 -1.685 1.00 0.00 N ATOM 105 CA GLY A 9 -3.588 8.489 -3.024 1.00 0.00 C ATOM 106 C GLY A 9 -4.862 7.662 -2.867 1.00 0.00 C ATOM 107 O GLY A 9 -5.535 7.349 -3.828 1.00 0.00 O ATOM 0 H GLY A 9 -2.076 8.337 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.812 9.433 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.873 7.960 -3.654 1.00 0.00 H new ATOM 111 N ALA A 10 -5.194 7.300 -1.658 1.00 0.00 N ATOM 112 CA ALA A 10 -6.422 6.488 -1.437 1.00 0.00 C ATOM 113 C ALA A 10 -7.629 7.414 -1.314 1.00 0.00 C ATOM 114 O ALA A 10 -8.595 7.295 -2.042 1.00 0.00 O ATOM 115 CB ALA A 10 -6.264 5.669 -0.151 1.00 0.00 C ATOM 0 H ALA A 10 -4.668 7.532 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.572 5.813 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.162 5.073 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.402 5.008 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.116 6.342 0.693 1.00 0.00 H new ATOM 121 N CYS A 11 -7.578 8.336 -0.395 1.00 0.00 N ATOM 122 CA CYS A 11 -8.715 9.281 -0.212 1.00 0.00 C ATOM 123 C CYS A 11 -8.311 10.662 -0.729 1.00 0.00 C ATOM 124 O CYS A 11 -9.047 11.620 -0.602 1.00 0.00 O ATOM 125 CB CYS A 11 -9.059 9.372 1.276 1.00 0.00 C ATOM 126 SG CYS A 11 -7.531 9.342 2.246 1.00 0.00 S ATOM 0 H CYS A 11 -6.793 8.477 0.241 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.584 8.926 -0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.613 10.289 1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.702 8.541 1.564 1.00 0.00 H new ATOM 131 N ARG A 12 -7.140 10.777 -1.299 1.00 0.00 N ATOM 132 CA ARG A 12 -6.692 12.097 -1.807 1.00 0.00 C ATOM 133 C ARG A 12 -6.800 13.111 -0.673 1.00 0.00 C ATOM 134 O ARG A 12 -7.231 14.231 -0.862 1.00 0.00 O ATOM 135 CB ARG A 12 -7.578 12.532 -2.981 1.00 0.00 C ATOM 136 CG ARG A 12 -7.145 11.798 -4.258 1.00 0.00 C ATOM 137 CD ARG A 12 -6.030 12.582 -4.956 1.00 0.00 C ATOM 138 NE ARG A 12 -6.621 13.733 -5.695 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.854 14.702 -6.115 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.569 14.663 -5.887 1.00 0.00 N ATOM 141 NH2 ARG A 12 -6.371 15.710 -6.763 1.00 0.00 N ATOM 0 H ARG A 12 -6.479 10.012 -1.432 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.661 12.033 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.623 12.313 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.502 13.610 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.797 10.795 -4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.996 11.684 -4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.308 12.939 -4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.490 11.932 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.625 13.764 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.165 13.875 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.970 15.420 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.375 15.741 -6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.771 16.467 -7.091 1.00 0.00 H new ATOM 155 N ARG A 13 -6.405 12.718 0.510 1.00 0.00 N ATOM 156 CA ARG A 13 -6.472 13.642 1.677 1.00 0.00 C ATOM 157 C ARG A 13 -5.045 13.901 2.176 1.00 0.00 C ATOM 158 O ARG A 13 -4.223 13.010 2.141 1.00 0.00 O ATOM 159 CB ARG A 13 -7.292 12.990 2.795 1.00 0.00 C ATOM 160 CG ARG A 13 -8.784 13.240 2.556 1.00 0.00 C ATOM 161 CD ARG A 13 -9.597 12.691 3.737 1.00 0.00 C ATOM 162 NE ARG A 13 -10.813 11.981 3.231 1.00 0.00 N ATOM 163 CZ ARG A 13 -11.550 12.497 2.281 1.00 0.00 C ATOM 164 NH1 ARG A 13 -11.287 13.685 1.811 1.00 0.00 N ATOM 165 NH2 ARG A 13 -12.569 11.827 1.817 1.00 0.00 N ATOM 0 H ARG A 13 -6.037 11.790 0.717 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.943 14.581 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.094 11.919 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.996 13.398 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.969 14.308 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.099 12.759 1.630 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.984 12.008 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.890 13.506 4.399 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.072 11.080 3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.502 14.219 2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.866 14.080 1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.788 10.905 2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.147 12.225 1.076 1.00 0.00 H new ATOM 179 N PRO A 14 -4.784 15.105 2.625 1.00 0.00 N ATOM 180 CA PRO A 14 -3.446 15.466 3.123 1.00 0.00 C ATOM 181 C PRO A 14 -3.023 14.524 4.251 1.00 0.00 C ATOM 182 O PRO A 14 -3.595 14.523 5.322 1.00 0.00 O ATOM 183 CB PRO A 14 -3.589 16.914 3.615 1.00 0.00 C ATOM 184 CG PRO A 14 -5.024 17.385 3.299 1.00 0.00 C ATOM 185 CD PRO A 14 -5.780 16.195 2.681 1.00 0.00 C ATOM 0 HA PRO A 14 -2.675 15.379 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.395 16.973 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.860 17.558 3.123 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.523 17.726 4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.007 18.228 2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.640 15.914 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.157 16.438 1.688 1.00 0.00 H new ATOM 193 N ILE A 15 -2.017 13.722 4.015 1.00 0.00 N ATOM 194 CA ILE A 15 -1.556 12.785 5.081 1.00 0.00 C ATOM 195 C ILE A 15 -0.876 13.597 6.186 1.00 0.00 C ATOM 196 O ILE A 15 -0.453 14.714 5.967 1.00 0.00 O ATOM 197 CB ILE A 15 -0.585 11.754 4.490 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.321 10.906 3.448 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.064 10.839 5.601 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.331 10.411 2.387 1.00 0.00 C ATOM 0 H ILE A 15 -1.499 13.676 3.138 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.406 12.246 5.499 1.00 0.00 H new ATOM 0 HB ILE A 15 0.252 12.273 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.804 10.057 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.108 11.495 2.977 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.625 10.108 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.456 11.436 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.901 10.320 6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.860 9.808 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.131 11.266 1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.441 9.806 2.863 1.00 0.00 H new ATOM 212 N GLU A 16 -0.784 13.067 7.377 1.00 0.00 N ATOM 213 CA GLU A 16 -0.147 13.854 8.477 1.00 0.00 C ATOM 214 C GLU A 16 0.292 12.932 9.617 1.00 0.00 C ATOM 215 O GLU A 16 -0.162 13.049 10.739 1.00 0.00 O ATOM 216 CB GLU A 16 -1.149 14.883 9.009 1.00 0.00 C ATOM 217 CG GLU A 16 -2.542 14.255 9.070 1.00 0.00 C ATOM 218 CD GLU A 16 -3.449 15.107 9.961 1.00 0.00 C ATOM 219 OE1 GLU A 16 -3.318 16.319 9.920 1.00 0.00 O ATOM 220 OE2 GLU A 16 -4.259 14.532 10.670 1.00 0.00 O ATOM 0 H GLU A 16 -1.116 12.138 7.635 1.00 0.00 H new ATOM 0 HA GLU A 16 0.733 14.361 8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.847 15.221 10.000 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.162 15.761 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.964 14.183 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.478 13.240 9.463 1.00 0.00 H new ATOM 227 N GLY A 17 1.180 12.027 9.336 1.00 0.00 N ATOM 228 CA GLY A 17 1.677 11.094 10.385 1.00 0.00 C ATOM 229 C GLY A 17 2.761 10.231 9.759 1.00 0.00 C ATOM 230 O GLY A 17 3.875 10.665 9.547 1.00 0.00 O ATOM 0 H GLY A 17 1.590 11.890 8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.074 11.650 11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.864 10.473 10.762 1.00 0.00 H new ATOM 234 N ARG A 18 2.423 9.026 9.419 1.00 0.00 N ATOM 235 CA ARG A 18 3.403 8.129 8.754 1.00 0.00 C ATOM 236 C ARG A 18 2.906 7.908 7.331 1.00 0.00 C ATOM 237 O ARG A 18 1.802 7.451 7.111 1.00 0.00 O ATOM 238 CB ARG A 18 3.495 6.802 9.497 1.00 0.00 C ATOM 239 CG ARG A 18 4.319 6.990 10.773 1.00 0.00 C ATOM 240 CD ARG A 18 4.698 5.618 11.346 1.00 0.00 C ATOM 241 NE ARG A 18 4.506 5.612 12.829 1.00 0.00 N ATOM 242 CZ ARG A 18 4.909 6.615 13.566 1.00 0.00 C ATOM 243 NH1 ARG A 18 5.567 7.606 13.031 1.00 0.00 N ATOM 244 NH2 ARG A 18 4.674 6.612 14.850 1.00 0.00 N ATOM 0 H ARG A 18 1.501 8.618 9.574 1.00 0.00 H new ATOM 0 HA ARG A 18 4.399 8.573 8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.497 6.442 9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.957 6.047 8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.219 7.566 10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.747 7.557 11.507 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.085 4.842 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.736 5.388 11.104 1.00 0.00 H new ATOM 0 HE ARG A 18 4.054 4.813 13.273 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.771 7.602 12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.878 8.385 13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.178 5.829 15.276 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.987 7.392 15.428 1.00 0.00 H new ATOM 258 N VAL A 19 3.691 8.278 6.367 1.00 0.00 N ATOM 259 CA VAL A 19 3.249 8.146 4.949 1.00 0.00 C ATOM 260 C VAL A 19 3.810 6.880 4.314 1.00 0.00 C ATOM 261 O VAL A 19 4.820 6.349 4.734 1.00 0.00 O ATOM 262 CB VAL A 19 3.752 9.357 4.160 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.229 9.299 2.717 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.254 10.645 4.824 1.00 0.00 C ATOM 0 H VAL A 19 4.625 8.668 6.495 1.00 0.00 H new ATOM 0 HA VAL A 19 2.161 8.093 4.929 1.00 0.00 H new ATOM 0 HB VAL A 19 4.842 9.344 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.592 10.165 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.584 8.387 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.139 9.304 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.613 11.507 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.164 10.649 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.630 10.697 5.846 1.00 0.00 H new ATOM 274 N VAL A 20 3.171 6.418 3.272 1.00 0.00 N ATOM 275 CA VAL A 20 3.661 5.214 2.554 1.00 0.00 C ATOM 276 C VAL A 20 3.897 5.621 1.106 1.00 0.00 C ATOM 277 O VAL A 20 2.981 5.997 0.407 1.00 0.00 O ATOM 278 CB VAL A 20 2.620 4.093 2.619 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.866 3.096 1.479 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.747 3.368 3.958 1.00 0.00 C ATOM 0 H VAL A 20 2.322 6.831 2.887 1.00 0.00 H new ATOM 0 HA VAL A 20 4.579 4.843 3.010 1.00 0.00 H new ATOM 0 HB VAL A 20 1.621 4.517 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.124 2.299 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.785 3.611 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.864 2.669 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.008 2.568 4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.747 2.944 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.576 4.073 4.771 1.00 0.00 H new ATOM 290 N ASN A 21 5.112 5.575 0.655 1.00 0.00 N ATOM 291 CA ASN A 21 5.387 5.986 -0.746 1.00 0.00 C ATOM 292 C ASN A 21 5.258 4.777 -1.668 1.00 0.00 C ATOM 293 O ASN A 21 6.103 3.903 -1.690 1.00 0.00 O ATOM 294 CB ASN A 21 6.797 6.561 -0.838 1.00 0.00 C ATOM 295 CG ASN A 21 6.842 7.919 -0.135 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.869 8.566 -0.105 1.00 0.00 O ATOM 297 ND2 ASN A 21 5.762 8.382 0.434 1.00 0.00 N ATOM 0 H ASN A 21 5.925 5.272 1.191 1.00 0.00 H new ATOM 0 HA ASN A 21 4.668 6.746 -1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.510 5.878 -0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.089 6.671 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.781 9.287 0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.899 7.839 0.409 1.00 0.00 H new ATOM 304 N ALA A 22 4.201 4.721 -2.427 1.00 0.00 N ATOM 305 CA ALA A 22 4.000 3.573 -3.352 1.00 0.00 C ATOM 306 C ALA A 22 3.296 4.069 -4.613 1.00 0.00 C ATOM 307 O ALA A 22 2.674 5.113 -4.614 1.00 0.00 O ATOM 308 CB ALA A 22 3.132 2.519 -2.669 1.00 0.00 C ATOM 0 H ALA A 22 3.463 5.425 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 22 4.963 3.136 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.983 1.677 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.626 2.173 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.166 2.954 -2.413 1.00 0.00 H new ATOM 314 N MET A 23 3.390 3.338 -5.689 1.00 0.00 N ATOM 315 CA MET A 23 2.725 3.783 -6.942 1.00 0.00 C ATOM 316 C MET A 23 3.281 5.146 -7.316 1.00 0.00 C ATOM 317 O MET A 23 2.705 5.884 -8.090 1.00 0.00 O ATOM 318 CB MET A 23 1.216 3.902 -6.717 1.00 0.00 C ATOM 319 CG MET A 23 0.693 2.680 -5.954 1.00 0.00 C ATOM 320 SD MET A 23 0.542 1.285 -7.096 1.00 0.00 S ATOM 321 CE MET A 23 1.116 -0.018 -5.978 1.00 0.00 C ATOM 0 H MET A 23 3.897 2.455 -5.753 1.00 0.00 H new ATOM 0 HA MET A 23 2.910 3.060 -7.737 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.996 4.811 -6.157 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.704 3.987 -7.676 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.372 2.427 -5.140 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.274 2.904 -5.504 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.552 -0.830 -6.559 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.868 0.388 -5.301 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.274 -0.397 -5.399 1.00 0.00 H new ATOM 331 N GLY A 24 4.390 5.485 -6.744 1.00 0.00 N ATOM 332 CA GLY A 24 5.001 6.809 -7.025 1.00 0.00 C ATOM 333 C GLY A 24 4.123 7.875 -6.379 1.00 0.00 C ATOM 334 O GLY A 24 4.034 8.997 -6.837 1.00 0.00 O ATOM 0 H GLY A 24 4.907 4.900 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.014 6.855 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.075 6.975 -8.100 1.00 0.00 H new ATOM 338 N LYS A 25 3.456 7.507 -5.323 1.00 0.00 N ATOM 339 CA LYS A 25 2.546 8.454 -4.621 1.00 0.00 C ATOM 340 C LYS A 25 2.782 8.383 -3.115 1.00 0.00 C ATOM 341 O LYS A 25 3.842 8.021 -2.648 1.00 0.00 O ATOM 342 CB LYS A 25 1.098 8.044 -4.909 1.00 0.00 C ATOM 343 CG LYS A 25 0.791 8.192 -6.407 1.00 0.00 C ATOM 344 CD LYS A 25 -0.528 8.953 -6.594 1.00 0.00 C ATOM 345 CE LYS A 25 -0.281 10.456 -6.439 1.00 0.00 C ATOM 346 NZ LYS A 25 0.351 10.986 -7.680 1.00 0.00 N ATOM 0 H LYS A 25 3.503 6.576 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 25 2.737 9.468 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.936 7.012 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.415 8.663 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.602 8.725 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.724 7.209 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.944 8.742 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.260 8.617 -5.860 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.222 10.972 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.365 10.643 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.259 12.022 -7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.358 10.728 -7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.122 10.579 -8.512 1.00 0.00 H new ATOM 360 N GLN A 26 1.778 8.724 -2.366 1.00 0.00 N ATOM 361 CA GLN A 26 1.857 8.689 -0.885 1.00 0.00 C ATOM 362 C GLN A 26 0.553 8.057 -0.400 1.00 0.00 C ATOM 363 O GLN A 26 -0.486 8.266 -0.996 1.00 0.00 O ATOM 364 CB GLN A 26 1.985 10.124 -0.370 1.00 0.00 C ATOM 365 CG GLN A 26 3.441 10.596 -0.556 1.00 0.00 C ATOM 366 CD GLN A 26 3.486 12.078 -0.950 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.547 12.621 -1.185 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.378 12.761 -1.035 1.00 0.00 N ATOM 0 H GLN A 26 0.878 9.035 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 26 2.714 8.119 -0.527 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.304 10.781 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.705 10.173 0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.999 10.443 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.928 9.996 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.484 12.310 -0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.405 13.746 -1.298 1.00 0.00 H new ATOM 377 N TRP A 27 0.576 7.258 0.630 1.00 0.00 N ATOM 378 CA TRP A 27 -0.694 6.608 1.065 1.00 0.00 C ATOM 379 C TRP A 27 -0.774 6.551 2.586 1.00 0.00 C ATOM 380 O TRP A 27 0.193 6.241 3.251 1.00 0.00 O ATOM 381 CB TRP A 27 -0.715 5.184 0.508 1.00 0.00 C ATOM 382 CG TRP A 27 -0.532 5.223 -0.976 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.658 5.291 -1.617 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.550 5.194 -2.010 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.430 5.314 -2.982 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.918 5.255 -3.273 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.946 5.123 -1.970 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.655 5.249 -4.457 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.693 5.114 -3.153 1.00 0.00 C ATOM 390 CH2 TRP A 27 -3.049 5.178 -4.397 1.00 0.00 C ATOM 0 H TRP A 27 1.403 7.029 1.182 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.543 7.184 0.695 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.077 4.592 0.967 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.660 4.700 0.755 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.627 5.322 -1.141 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.167 5.368 -3.686 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.452 5.075 -1.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.153 5.299 -5.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.771 5.058 -3.108 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.630 5.172 -5.307 1.00 0.00 H new ATOM 401 N HIS A 28 -1.928 6.805 3.153 1.00 0.00 N ATOM 402 CA HIS A 28 -2.027 6.705 4.634 1.00 0.00 C ATOM 403 C HIS A 28 -1.562 5.297 4.998 1.00 0.00 C ATOM 404 O HIS A 28 -1.896 4.339 4.329 1.00 0.00 O ATOM 405 CB HIS A 28 -3.473 6.890 5.106 1.00 0.00 C ATOM 406 CG HIS A 28 -3.824 8.350 5.166 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.799 8.903 4.355 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.358 9.377 5.947 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.890 10.212 4.661 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.033 10.552 5.627 1.00 0.00 N ATOM 0 H HIS A 28 -2.784 7.071 2.665 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.423 7.479 5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.152 6.374 4.427 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.601 6.438 6.090 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.585 9.288 6.696 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.572 10.901 4.184 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.901 11.475 6.042 1.00 0.00 H new ATOM 418 N VAL A 29 -0.794 5.153 6.025 1.00 0.00 N ATOM 419 CA VAL A 29 -0.315 3.799 6.390 1.00 0.00 C ATOM 420 C VAL A 29 -1.516 2.884 6.616 1.00 0.00 C ATOM 421 O VAL A 29 -1.403 1.675 6.589 1.00 0.00 O ATOM 422 CB VAL A 29 0.517 3.897 7.666 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.614 2.524 8.332 1.00 0.00 C ATOM 424 CG2 VAL A 29 1.917 4.397 7.305 1.00 0.00 C ATOM 0 H VAL A 29 -0.475 5.910 6.630 1.00 0.00 H new ATOM 0 HA VAL A 29 0.299 3.388 5.589 1.00 0.00 H new ATOM 0 HB VAL A 29 0.044 4.591 8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.209 2.602 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.386 2.169 8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.088 1.820 7.648 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.521 4.471 8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.385 3.698 6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.843 5.378 6.836 1.00 0.00 H new ATOM 434 N GLU A 30 -2.665 3.454 6.850 1.00 0.00 N ATOM 435 CA GLU A 30 -3.873 2.618 7.092 1.00 0.00 C ATOM 436 C GLU A 30 -4.670 2.431 5.794 1.00 0.00 C ATOM 437 O GLU A 30 -5.486 1.537 5.691 1.00 0.00 O ATOM 438 CB GLU A 30 -4.761 3.292 8.141 1.00 0.00 C ATOM 439 CG GLU A 30 -4.941 4.770 7.790 1.00 0.00 C ATOM 440 CD GLU A 30 -6.114 5.344 8.585 1.00 0.00 C ATOM 441 OE1 GLU A 30 -6.446 4.774 9.611 1.00 0.00 O ATOM 442 OE2 GLU A 30 -6.661 6.347 8.155 1.00 0.00 O ATOM 0 H GLU A 30 -2.819 4.462 6.884 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.553 1.640 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.731 2.797 8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.311 3.195 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.029 5.322 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.123 4.881 6.721 1.00 0.00 H new ATOM 449 N HIS A 31 -4.454 3.262 4.804 1.00 0.00 N ATOM 450 CA HIS A 31 -5.223 3.112 3.526 1.00 0.00 C ATOM 451 C HIS A 31 -4.367 2.412 2.474 1.00 0.00 C ATOM 452 O HIS A 31 -4.851 2.049 1.420 1.00 0.00 O ATOM 453 CB HIS A 31 -5.657 4.487 3.007 1.00 0.00 C ATOM 454 CG HIS A 31 -6.586 5.126 4.005 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.771 6.504 4.094 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.402 4.580 4.967 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.665 6.726 5.077 1.00 0.00 C ATOM 458 NE2 HIS A 31 -8.078 5.591 5.640 1.00 0.00 N ATOM 0 H HIS A 31 -3.785 4.032 4.823 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.109 2.508 3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.784 5.120 2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.156 4.384 2.043 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.503 3.524 5.170 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.006 7.707 5.373 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.748 5.486 6.402 1.00 0.00 H new ATOM 466 N PHE A 32 -3.115 2.181 2.748 1.00 0.00 N ATOM 467 CA PHE A 32 -2.285 1.461 1.746 1.00 0.00 C ATOM 468 C PHE A 32 -2.542 -0.021 1.944 1.00 0.00 C ATOM 469 O PHE A 32 -2.070 -0.627 2.885 1.00 0.00 O ATOM 470 CB PHE A 32 -0.796 1.762 1.926 1.00 0.00 C ATOM 471 CG PHE A 32 -0.059 1.262 0.702 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.382 1.768 -0.565 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.923 0.273 0.827 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.279 1.289 -1.699 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.581 -0.209 -0.310 1.00 0.00 C ATOM 476 CZ PHE A 32 1.259 0.299 -1.573 1.00 0.00 C ATOM 0 H PHE A 32 -2.637 2.454 3.607 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.553 1.784 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.638 2.833 2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.416 1.275 2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.142 2.529 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.173 -0.119 1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.033 1.684 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.338 -0.973 -0.212 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.767 -0.073 -2.450 1.00 0.00 H new ATOM 486 N VAL A 33 -3.336 -0.593 1.091 1.00 0.00 N ATOM 487 CA VAL A 33 -3.692 -2.025 1.245 1.00 0.00 C ATOM 488 C VAL A 33 -3.401 -2.806 -0.028 1.00 0.00 C ATOM 489 O VAL A 33 -3.011 -2.270 -1.046 1.00 0.00 O ATOM 490 CB VAL A 33 -5.193 -2.120 1.517 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.569 -1.310 2.766 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.949 -1.568 0.301 1.00 0.00 C ATOM 0 H VAL A 33 -3.757 -0.127 0.287 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.102 -2.442 2.061 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.461 -3.162 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.642 -1.390 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.029 -1.700 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.304 -0.264 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.022 -1.630 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.667 -0.528 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.695 -2.154 -0.582 1.00 0.00 H new ATOM 502 N CYS A 34 -3.628 -4.081 0.044 1.00 0.00 N ATOM 503 CA CYS A 34 -3.422 -4.968 -1.126 1.00 0.00 C ATOM 504 C CYS A 34 -4.434 -4.622 -2.218 1.00 0.00 C ATOM 505 O CYS A 34 -5.533 -4.181 -1.944 1.00 0.00 O ATOM 506 CB CYS A 34 -3.629 -6.405 -0.663 1.00 0.00 C ATOM 507 SG CYS A 34 -4.023 -7.473 -2.069 1.00 0.00 S ATOM 0 H CYS A 34 -3.955 -4.557 0.885 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.418 -4.841 -1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.729 -6.766 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.436 -6.445 0.069 1.00 0.00 H new ATOM 512 N ALA A 35 -4.069 -4.811 -3.454 1.00 0.00 N ATOM 513 CA ALA A 35 -5.000 -4.488 -4.568 1.00 0.00 C ATOM 514 C ALA A 35 -5.811 -5.735 -4.947 1.00 0.00 C ATOM 515 O ALA A 35 -6.287 -5.863 -6.057 1.00 0.00 O ATOM 516 CB ALA A 35 -4.179 -4.016 -5.765 1.00 0.00 C ATOM 0 H ALA A 35 -3.161 -5.177 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.692 -3.704 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.847 -3.775 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.609 -3.129 -5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.494 -4.807 -6.071 1.00 0.00 H new ATOM 522 N LYS A 36 -5.974 -6.651 -4.025 1.00 0.00 N ATOM 523 CA LYS A 36 -6.760 -7.894 -4.318 1.00 0.00 C ATOM 524 C LYS A 36 -7.756 -8.154 -3.186 1.00 0.00 C ATOM 525 O LYS A 36 -8.806 -8.729 -3.392 1.00 0.00 O ATOM 526 CB LYS A 36 -5.814 -9.100 -4.417 1.00 0.00 C ATOM 527 CG LYS A 36 -6.614 -10.380 -4.689 1.00 0.00 C ATOM 528 CD LYS A 36 -7.410 -10.234 -5.993 1.00 0.00 C ATOM 529 CE LYS A 36 -7.694 -11.619 -6.578 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.354 -12.468 -5.546 1.00 0.00 N ATOM 0 H LYS A 36 -5.597 -6.593 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.290 -7.757 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.090 -8.939 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.249 -9.205 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.939 -11.233 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.293 -10.578 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.346 -9.709 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.848 -9.634 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.334 -11.531 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.765 -12.084 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.817 -13.278 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.641 -12.814 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.066 -11.906 -5.037 1.00 0.00 H new ATOM 544 N CYS A 37 -7.420 -7.763 -1.986 1.00 0.00 N ATOM 545 CA CYS A 37 -8.333 -8.017 -0.832 1.00 0.00 C ATOM 546 C CYS A 37 -8.481 -6.754 0.018 1.00 0.00 C ATOM 547 O CYS A 37 -9.314 -6.688 0.899 1.00 0.00 O ATOM 548 CB CYS A 37 -7.728 -9.126 0.023 1.00 0.00 C ATOM 549 SG CYS A 37 -6.206 -8.512 0.780 1.00 0.00 S ATOM 0 H CYS A 37 -6.553 -7.279 -1.754 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.316 -8.307 -1.203 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.434 -9.437 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.518 -10.003 -0.589 1.00 0.00 H new ATOM 554 N GLU A 38 -7.679 -5.755 -0.234 1.00 0.00 N ATOM 555 CA GLU A 38 -7.769 -4.499 0.553 1.00 0.00 C ATOM 556 C GLU A 38 -7.385 -4.754 2.007 1.00 0.00 C ATOM 557 O GLU A 38 -8.058 -4.320 2.920 1.00 0.00 O ATOM 558 CB GLU A 38 -9.188 -3.921 0.479 1.00 0.00 C ATOM 559 CG GLU A 38 -9.596 -3.731 -0.987 1.00 0.00 C ATOM 560 CD GLU A 38 -10.129 -5.050 -1.551 1.00 0.00 C ATOM 561 OE1 GLU A 38 -11.251 -5.401 -1.223 1.00 0.00 O ATOM 562 OE2 GLU A 38 -9.408 -5.686 -2.301 1.00 0.00 O ATOM 0 H GLU A 38 -6.961 -5.759 -0.958 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.073 -3.776 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.889 -4.590 0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.230 -2.967 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.359 -2.957 -1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.740 -3.394 -1.572 1.00 0.00 H new ATOM 569 N LYS A 39 -6.284 -5.424 2.230 1.00 0.00 N ATOM 570 CA LYS A 39 -5.825 -5.668 3.627 1.00 0.00 C ATOM 571 C LYS A 39 -4.707 -4.659 3.927 1.00 0.00 C ATOM 572 O LYS A 39 -3.643 -4.742 3.348 1.00 0.00 O ATOM 573 CB LYS A 39 -5.281 -7.096 3.759 1.00 0.00 C ATOM 574 CG LYS A 39 -6.402 -8.042 4.224 1.00 0.00 C ATOM 575 CD LYS A 39 -5.811 -9.139 5.109 1.00 0.00 C ATOM 576 CE LYS A 39 -6.805 -10.297 5.226 1.00 0.00 C ATOM 577 NZ LYS A 39 -6.195 -11.397 6.027 1.00 0.00 N ATOM 0 H LYS A 39 -5.683 -5.813 1.503 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.652 -5.550 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.883 -7.433 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.457 -7.116 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.158 -7.483 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.899 -8.485 3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.871 -9.495 4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.585 -8.740 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.725 -9.954 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.074 -10.661 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.870 -12.184 6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.329 -11.730 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.960 -11.045 6.977 1.00 0.00 H new ATOM 591 N PRO A 40 -4.983 -3.708 4.789 1.00 0.00 N ATOM 592 CA PRO A 40 -4.007 -2.657 5.121 1.00 0.00 C ATOM 593 C PRO A 40 -2.805 -3.217 5.866 1.00 0.00 C ATOM 594 O PRO A 40 -2.920 -4.033 6.759 1.00 0.00 O ATOM 595 CB PRO A 40 -4.768 -1.678 6.017 1.00 0.00 C ATOM 596 CG PRO A 40 -6.150 -2.294 6.315 1.00 0.00 C ATOM 597 CD PRO A 40 -6.269 -3.595 5.502 1.00 0.00 C ATOM 0 HA PRO A 40 -3.614 -2.188 4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.220 -1.501 6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.878 -0.713 5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.256 -2.498 7.380 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.945 -1.599 6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.439 -4.454 6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.106 -3.552 4.805 1.00 0.00 H new ATOM 605 N PHE A 41 -1.654 -2.745 5.509 1.00 0.00 N ATOM 606 CA PHE A 41 -0.408 -3.192 6.191 1.00 0.00 C ATOM 607 C PHE A 41 -0.066 -2.193 7.291 1.00 0.00 C ATOM 608 O PHE A 41 0.980 -1.577 7.285 1.00 0.00 O ATOM 609 CB PHE A 41 0.740 -3.249 5.189 1.00 0.00 C ATOM 610 CG PHE A 41 0.200 -3.663 3.848 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.162 -4.992 3.628 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.073 -2.722 2.824 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.647 -5.385 2.377 1.00 0.00 C ATOM 614 CE2 PHE A 41 -0.415 -3.110 1.572 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.773 -4.444 1.348 1.00 0.00 C ATOM 0 H PHE A 41 -1.515 -2.060 4.766 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.560 -4.184 6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.224 -2.275 5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.498 -3.957 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.068 -5.717 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.352 -1.693 2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.924 -6.414 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.515 -2.382 0.780 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.147 -4.748 0.381 1.00 0.00 H new ATOM 625 N LEU A 42 -0.947 -2.025 8.231 1.00 0.00 N ATOM 626 CA LEU A 42 -0.687 -1.060 9.340 1.00 0.00 C ATOM 627 C LEU A 42 0.779 -1.157 9.759 1.00 0.00 C ATOM 628 O LEU A 42 1.506 -0.184 9.759 1.00 0.00 O ATOM 629 CB LEU A 42 -1.582 -1.412 10.530 1.00 0.00 C ATOM 630 CG LEU A 42 -2.940 -0.718 10.368 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.543 -1.115 9.033 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.886 -1.146 11.491 1.00 0.00 C ATOM 0 H LEU A 42 -1.841 -2.514 8.283 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.903 -0.045 9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.718 -2.492 10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.109 -1.098 11.460 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.798 0.362 10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.509 -0.626 8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.876 -0.809 8.227 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.677 -2.196 9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.847 -0.648 11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.030 -2.226 11.454 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.456 -0.870 12.454 1.00 0.00 H new ATOM 644 N GLY A 43 1.214 -2.334 10.103 1.00 0.00 N ATOM 645 CA GLY A 43 2.635 -2.525 10.514 1.00 0.00 C ATOM 646 C GLY A 43 3.190 -3.772 9.829 1.00 0.00 C ATOM 647 O GLY A 43 4.042 -4.456 10.360 1.00 0.00 O ATOM 0 H GLY A 43 0.644 -3.180 10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.226 -1.651 10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.702 -2.629 11.597 1.00 0.00 H new ATOM 651 N HIS A 44 2.705 -4.076 8.654 1.00 0.00 N ATOM 652 CA HIS A 44 3.194 -5.288 7.927 1.00 0.00 C ATOM 653 C HIS A 44 3.867 -4.873 6.614 1.00 0.00 C ATOM 654 O HIS A 44 3.749 -3.748 6.170 1.00 0.00 O ATOM 655 CB HIS A 44 2.009 -6.216 7.622 1.00 0.00 C ATOM 656 CG HIS A 44 0.963 -6.066 8.693 1.00 0.00 C ATOM 657 ND1 HIS A 44 -0.392 -6.037 8.402 1.00 0.00 N ATOM 658 CD2 HIS A 44 1.057 -5.936 10.054 1.00 0.00 C ATOM 659 CE1 HIS A 44 -1.052 -5.895 9.567 1.00 0.00 C ATOM 660 NE2 HIS A 44 -0.216 -5.829 10.606 1.00 0.00 N ATOM 0 H HIS A 44 1.990 -3.537 8.164 1.00 0.00 H new ATOM 0 HA HIS A 44 3.918 -5.811 8.552 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.584 -5.973 6.648 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.348 -7.251 7.572 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.980 -5.919 10.614 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -2.127 -5.841 9.651 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.458 -5.723 11.591 1.00 0.00 H new ATOM 668 N ARG A 45 4.570 -5.782 5.994 1.00 0.00 N ATOM 669 CA ARG A 45 5.256 -5.458 4.707 1.00 0.00 C ATOM 670 C ARG A 45 4.251 -5.578 3.558 1.00 0.00 C ATOM 671 O ARG A 45 3.309 -6.342 3.627 1.00 0.00 O ATOM 672 CB ARG A 45 6.410 -6.449 4.490 1.00 0.00 C ATOM 673 CG ARG A 45 6.781 -6.514 3.003 1.00 0.00 C ATOM 674 CD ARG A 45 8.135 -7.207 2.842 1.00 0.00 C ATOM 675 NE ARG A 45 8.578 -7.107 1.423 1.00 0.00 N ATOM 676 CZ ARG A 45 9.819 -7.358 1.107 1.00 0.00 C ATOM 677 NH1 ARG A 45 10.673 -7.696 2.035 1.00 0.00 N ATOM 678 NH2 ARG A 45 10.206 -7.272 -0.136 1.00 0.00 N ATOM 0 H ARG A 45 4.700 -6.739 6.323 1.00 0.00 H new ATOM 0 HA ARG A 45 5.650 -4.442 4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.277 -6.143 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.120 -7.439 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.015 -7.058 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.824 -5.509 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.873 -6.745 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.057 -8.253 3.137 1.00 0.00 H new ATOM 0 HE ARG A 45 7.911 -6.842 0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.370 -7.764 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.643 -7.892 1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.539 -7.009 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.176 -7.468 -0.383 1.00 0.00 H new ATOM 692 N HIS A 46 4.449 -4.836 2.497 1.00 0.00 N ATOM 693 CA HIS A 46 3.508 -4.921 1.340 1.00 0.00 C ATOM 694 C HIS A 46 4.251 -5.407 0.105 1.00 0.00 C ATOM 695 O HIS A 46 5.462 -5.509 0.084 1.00 0.00 O ATOM 696 CB HIS A 46 2.908 -3.553 1.035 1.00 0.00 C ATOM 697 CG HIS A 46 3.987 -2.508 1.069 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.425 -1.932 2.252 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.728 -1.924 0.071 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.389 -1.046 1.939 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.613 -1.003 0.622 1.00 0.00 N ATOM 0 H HIS A 46 5.219 -4.177 2.383 1.00 0.00 H new ATOM 0 HA HIS A 46 2.712 -5.618 1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.431 -3.565 0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.134 -3.314 1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.637 -2.146 -0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.917 -0.444 2.663 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.288 -0.420 0.127 1.00 0.00 H new ATOM 709 N TYR A 47 3.516 -5.723 -0.918 1.00 0.00 N ATOM 710 CA TYR A 47 4.131 -6.226 -2.170 1.00 0.00 C ATOM 711 C TYR A 47 3.496 -5.491 -3.354 1.00 0.00 C ATOM 712 O TYR A 47 2.301 -5.266 -3.385 1.00 0.00 O ATOM 713 CB TYR A 47 3.873 -7.729 -2.230 1.00 0.00 C ATOM 714 CG TYR A 47 4.237 -8.310 -0.880 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.438 -8.034 0.241 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.390 -9.087 -0.735 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.794 -8.534 1.496 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.746 -9.579 0.527 1.00 0.00 C ATOM 719 CZ TYR A 47 4.952 -9.302 1.638 1.00 0.00 C ATOM 720 OH TYR A 47 5.314 -9.784 2.881 1.00 0.00 O ATOM 0 H TYR A 47 2.499 -5.653 -0.940 1.00 0.00 H new ATOM 0 HA TYR A 47 5.206 -6.048 -2.204 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.827 -7.929 -2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.469 -8.189 -3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.547 -7.434 0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.005 -9.308 -1.595 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.174 -8.327 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.639 -10.175 0.639 1.00 0.00 H new ATOM 0 HH TYR A 47 4.808 -9.312 3.575 1.00 0.00 H new ATOM 730 N GLU A 48 4.290 -5.074 -4.307 1.00 0.00 N ATOM 731 CA GLU A 48 3.738 -4.303 -5.465 1.00 0.00 C ATOM 732 C GLU A 48 3.804 -5.116 -6.755 1.00 0.00 C ATOM 733 O GLU A 48 4.771 -5.797 -7.031 1.00 0.00 O ATOM 734 CB GLU A 48 4.558 -3.019 -5.642 1.00 0.00 C ATOM 735 CG GLU A 48 3.952 -1.901 -4.794 1.00 0.00 C ATOM 736 CD GLU A 48 4.768 -0.620 -4.976 1.00 0.00 C ATOM 737 OE1 GLU A 48 4.645 -0.006 -6.023 1.00 0.00 O ATOM 738 OE2 GLU A 48 5.503 -0.275 -4.066 1.00 0.00 O ATOM 0 H GLU A 48 5.297 -5.233 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 48 2.693 -4.071 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.593 -3.193 -5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.571 -2.726 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.916 -1.729 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.942 -2.192 -3.744 1.00 0.00 H new ATOM 745 N ARG A 49 2.778 -5.020 -7.558 1.00 0.00 N ATOM 746 CA ARG A 49 2.770 -5.755 -8.853 1.00 0.00 C ATOM 747 C ARG A 49 2.017 -4.950 -9.911 1.00 0.00 C ATOM 748 O ARG A 49 0.967 -4.394 -9.657 1.00 0.00 O ATOM 749 CB ARG A 49 2.075 -7.103 -8.702 1.00 0.00 C ATOM 750 CG ARG A 49 2.089 -7.798 -10.068 1.00 0.00 C ATOM 751 CD ARG A 49 1.757 -9.284 -9.926 1.00 0.00 C ATOM 752 NE ARG A 49 2.682 -10.084 -10.789 1.00 0.00 N ATOM 753 CZ ARG A 49 2.929 -9.726 -12.022 1.00 0.00 C ATOM 754 NH1 ARG A 49 2.307 -8.709 -12.553 1.00 0.00 N ATOM 755 NH2 ARG A 49 3.788 -10.404 -12.733 1.00 0.00 N ATOM 0 H ARG A 49 1.944 -4.463 -7.371 1.00 0.00 H new ATOM 0 HA ARG A 49 3.806 -5.904 -9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.586 -7.714 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.051 -6.967 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.367 -7.321 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.070 -7.683 -10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.855 -9.592 -8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.722 -9.466 -10.216 1.00 0.00 H new ATOM 0 HE ARG A 49 3.126 -10.920 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.623 -8.187 -12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.505 -8.436 -13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.264 -11.210 -12.326 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.984 -10.128 -13.695 1.00 0.00 H new ATOM 769 N LYS A 50 2.541 -4.901 -11.102 1.00 0.00 N ATOM 770 CA LYS A 50 1.859 -4.157 -12.191 1.00 0.00 C ATOM 771 C LYS A 50 1.545 -2.754 -11.709 1.00 0.00 C ATOM 772 O LYS A 50 0.666 -2.088 -12.219 1.00 0.00 O ATOM 773 CB LYS A 50 0.557 -4.880 -12.566 1.00 0.00 C ATOM 774 CG LYS A 50 0.837 -5.946 -13.636 1.00 0.00 C ATOM 775 CD LYS A 50 0.611 -5.352 -15.033 1.00 0.00 C ATOM 776 CE LYS A 50 -0.863 -5.492 -15.421 1.00 0.00 C ATOM 777 NZ LYS A 50 -1.076 -4.915 -16.779 1.00 0.00 N ATOM 0 H LYS A 50 3.418 -5.348 -11.368 1.00 0.00 H new ATOM 0 HA LYS A 50 2.505 -4.106 -13.067 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.123 -5.346 -11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.173 -4.162 -12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.862 -6.305 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.183 -6.805 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.902 -4.301 -15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.239 -5.864 -15.762 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.155 -6.542 -15.410 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.492 -4.979 -14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.077 -5.010 -17.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.813 -3.909 -16.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.486 -5.423 -17.469 1.00 0.00 H new ATOM 791 N GLY A 51 2.253 -2.297 -10.723 1.00 0.00 N ATOM 792 CA GLY A 51 1.984 -0.937 -10.210 1.00 0.00 C ATOM 793 C GLY A 51 0.778 -1.000 -9.285 1.00 0.00 C ATOM 794 O GLY A 51 0.009 -0.068 -9.175 1.00 0.00 O ATOM 0 H GLY A 51 3.003 -2.804 -10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.853 -0.556 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.793 -0.252 -11.036 1.00 0.00 H new ATOM 798 N LEU A 52 0.610 -2.110 -8.629 1.00 0.00 N ATOM 799 CA LEU A 52 -0.540 -2.274 -7.701 1.00 0.00 C ATOM 800 C LEU A 52 -0.069 -3.025 -6.460 1.00 0.00 C ATOM 801 O LEU A 52 0.768 -3.902 -6.533 1.00 0.00 O ATOM 802 CB LEU A 52 -1.647 -3.068 -8.391 1.00 0.00 C ATOM 803 CG LEU A 52 -2.457 -2.149 -9.301 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.491 -2.989 -10.054 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.161 -1.074 -8.457 1.00 0.00 C ATOM 0 H LEU A 52 1.227 -2.920 -8.696 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.928 -1.296 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.214 -3.881 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.299 -3.522 -7.645 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.798 -1.655 -10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.077 -2.344 -10.708 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.981 -3.744 -10.651 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.153 -3.478 -9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.739 -0.419 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.829 -1.553 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.416 -0.486 -7.921 1.00 0.00 H new ATOM 817 N ALA A 53 -0.587 -2.675 -5.322 1.00 0.00 N ATOM 818 CA ALA A 53 -0.153 -3.354 -4.071 1.00 0.00 C ATOM 819 C ALA A 53 -0.809 -4.722 -3.941 1.00 0.00 C ATOM 820 O ALA A 53 -1.902 -4.953 -4.414 1.00 0.00 O ATOM 821 CB ALA A 53 -0.559 -2.512 -2.867 1.00 0.00 C ATOM 0 H ALA A 53 -1.292 -1.948 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 53 0.930 -3.475 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.241 -3.010 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.085 -1.533 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.642 -2.391 -2.857 1.00 0.00 H new ATOM 827 N TYR A 54 -0.147 -5.624 -3.273 1.00 0.00 N ATOM 828 CA TYR A 54 -0.719 -6.975 -3.069 1.00 0.00 C ATOM 829 C TYR A 54 -0.140 -7.558 -1.792 1.00 0.00 C ATOM 830 O TYR A 54 1.037 -7.439 -1.534 1.00 0.00 O ATOM 831 CB TYR A 54 -0.353 -7.868 -4.245 1.00 0.00 C ATOM 832 CG TYR A 54 -1.194 -7.487 -5.425 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.524 -7.906 -5.500 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.643 -6.710 -6.440 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.306 -7.536 -6.606 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.415 -6.345 -7.534 1.00 0.00 C ATOM 837 CZ TYR A 54 -2.748 -6.755 -7.623 1.00 0.00 C ATOM 838 OH TYR A 54 -3.511 -6.391 -8.713 1.00 0.00 O ATOM 0 H TYR A 54 0.773 -5.478 -2.858 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.805 -6.912 -2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.705 -7.760 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.516 -8.915 -3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.948 -8.511 -4.712 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.387 -6.391 -6.376 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.336 -7.854 -6.671 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.984 -5.742 -8.319 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.970 -5.849 -9.324 1.00 0.00 H new ATOM 848 N CYS A 55 -0.936 -8.184 -0.979 1.00 0.00 N ATOM 849 CA CYS A 55 -0.366 -8.753 0.267 1.00 0.00 C ATOM 850 C CYS A 55 0.760 -9.719 -0.117 1.00 0.00 C ATOM 851 O CYS A 55 0.977 -10.003 -1.278 1.00 0.00 O ATOM 852 CB CYS A 55 -1.428 -9.546 1.035 1.00 0.00 C ATOM 853 SG CYS A 55 -2.813 -8.479 1.477 1.00 0.00 S ATOM 0 H CYS A 55 -1.937 -8.325 -1.118 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.001 -7.939 0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.782 -10.377 0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.990 -9.975 1.936 1.00 0.00 H new ATOM 858 N GLU A 56 1.459 -10.243 0.847 1.00 0.00 N ATOM 859 CA GLU A 56 2.551 -11.214 0.539 1.00 0.00 C ATOM 860 C GLU A 56 1.961 -12.432 -0.177 1.00 0.00 C ATOM 861 O GLU A 56 2.590 -13.042 -1.017 1.00 0.00 O ATOM 862 CB GLU A 56 3.190 -11.699 1.844 1.00 0.00 C ATOM 863 CG GLU A 56 4.447 -12.516 1.534 1.00 0.00 C ATOM 864 CD GLU A 56 5.295 -12.653 2.800 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.801 -12.302 3.858 1.00 0.00 O ATOM 866 OE2 GLU A 56 6.421 -13.107 2.689 1.00 0.00 O ATOM 0 H GLU A 56 1.324 -10.043 1.838 1.00 0.00 H new ATOM 0 HA GLU A 56 3.295 -10.723 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.445 -10.846 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.479 -12.307 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.169 -13.502 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.025 -12.029 0.748 1.00 0.00 H new ATOM 873 N THR A 57 0.766 -12.805 0.187 1.00 0.00 N ATOM 874 CA THR A 57 0.127 -14.006 -0.423 1.00 0.00 C ATOM 875 C THR A 57 -0.612 -13.657 -1.710 1.00 0.00 C ATOM 876 O THR A 57 -0.523 -14.373 -2.684 1.00 0.00 O ATOM 877 CB THR A 57 -0.859 -14.614 0.577 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.149 -15.083 1.714 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.603 -15.779 -0.079 1.00 0.00 C ATOM 0 H THR A 57 0.199 -12.326 0.887 1.00 0.00 H new ATOM 0 HA THR A 57 0.913 -14.721 -0.668 1.00 0.00 H new ATOM 0 HB THR A 57 -1.578 -13.855 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.779 -15.471 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.305 -16.211 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.148 -15.418 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.887 -16.540 -0.389 1.00 0.00 H new ATOM 887 N HIS A 58 -1.348 -12.586 -1.738 1.00 0.00 N ATOM 888 CA HIS A 58 -2.080 -12.256 -2.977 1.00 0.00 C ATOM 889 C HIS A 58 -1.069 -11.896 -4.048 1.00 0.00 C ATOM 890 O HIS A 58 -1.143 -12.363 -5.164 1.00 0.00 O ATOM 891 CB HIS A 58 -3.048 -11.104 -2.713 1.00 0.00 C ATOM 892 CG HIS A 58 -4.127 -11.594 -1.776 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.665 -10.817 -0.750 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.774 -12.805 -1.696 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.581 -11.570 -0.112 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.686 -12.786 -0.647 1.00 0.00 N ATOM 0 H HIS A 58 -1.471 -11.934 -0.964 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.668 -13.109 -3.316 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.520 -10.258 -2.274 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.487 -10.755 -3.648 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.599 -13.646 -2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.161 -11.229 0.733 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.304 -13.541 -0.350 1.00 0.00 H new ATOM 904 N TYR A 59 -0.092 -11.110 -3.709 1.00 0.00 N ATOM 905 CA TYR A 59 0.944 -10.770 -4.697 1.00 0.00 C ATOM 906 C TYR A 59 1.426 -12.063 -5.300 1.00 0.00 C ATOM 907 O TYR A 59 1.422 -12.267 -6.498 1.00 0.00 O ATOM 908 CB TYR A 59 2.107 -10.117 -3.966 1.00 0.00 C ATOM 909 CG TYR A 59 3.289 -9.981 -4.891 1.00 0.00 C ATOM 910 CD1 TYR A 59 3.096 -9.690 -6.243 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.587 -10.145 -4.392 1.00 0.00 C ATOM 912 CE1 TYR A 59 4.188 -9.563 -7.089 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.687 -10.016 -5.244 1.00 0.00 C ATOM 914 CZ TYR A 59 5.487 -9.722 -6.596 1.00 0.00 C ATOM 915 OH TYR A 59 6.569 -9.594 -7.443 1.00 0.00 O ATOM 0 H TYR A 59 0.029 -10.691 -2.787 1.00 0.00 H new ATOM 0 HA TYR A 59 0.556 -10.098 -5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.810 -9.136 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.382 -10.715 -3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.096 -9.564 -6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.738 -10.372 -3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.034 -9.340 -8.134 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.688 -10.143 -4.859 1.00 0.00 H new ATOM 0 HH TYR A 59 7.398 -9.734 -6.939 1.00 0.00 H new ATOM 925 N ASN A 60 1.844 -12.941 -4.450 1.00 0.00 N ATOM 926 CA ASN A 60 2.335 -14.242 -4.925 1.00 0.00 C ATOM 927 C ASN A 60 1.173 -15.021 -5.534 1.00 0.00 C ATOM 928 O ASN A 60 1.286 -15.573 -6.610 1.00 0.00 O ATOM 929 CB ASN A 60 2.942 -15.030 -3.765 1.00 0.00 C ATOM 930 CG ASN A 60 4.342 -14.493 -3.456 1.00 0.00 C ATOM 931 OD1 ASN A 60 5.300 -14.851 -4.111 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.501 -13.645 -2.477 1.00 0.00 N ATOM 0 H ASN A 60 1.866 -12.810 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 60 3.106 -14.086 -5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.307 -14.946 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.996 -16.088 -4.020 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.430 -13.283 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.696 -13.344 -1.927 1.00 0.00 H new ATOM 939 N GLN A 61 0.044 -15.053 -4.875 1.00 0.00 N ATOM 940 CA GLN A 61 -1.112 -15.785 -5.471 1.00 0.00 C ATOM 941 C GLN A 61 -1.309 -15.229 -6.870 1.00 0.00 C ATOM 942 O GLN A 61 -1.590 -15.938 -7.815 1.00 0.00 O ATOM 943 CB GLN A 61 -2.383 -15.556 -4.646 1.00 0.00 C ATOM 944 CG GLN A 61 -3.390 -16.671 -4.939 1.00 0.00 C ATOM 945 CD GLN A 61 -2.924 -17.967 -4.273 1.00 0.00 C ATOM 946 OE1 GLN A 61 -2.298 -18.796 -4.902 1.00 0.00 O ATOM 947 NE2 GLN A 61 -3.206 -18.178 -3.016 1.00 0.00 N ATOM 0 H GLN A 61 -0.126 -14.614 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.915 -16.857 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.141 -15.540 -3.583 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.817 -14.586 -4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.376 -16.392 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.485 -16.816 -6.015 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.732 -17.482 -2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.901 -19.039 -2.562 1.00 0.00 H new ATOM 956 N LEU A 62 -1.126 -13.949 -6.995 1.00 0.00 N ATOM 957 CA LEU A 62 -1.256 -13.291 -8.316 1.00 0.00 C ATOM 958 C LEU A 62 -0.070 -13.701 -9.186 1.00 0.00 C ATOM 959 O LEU A 62 -0.200 -13.930 -10.372 1.00 0.00 O ATOM 960 CB LEU A 62 -1.235 -11.765 -8.124 1.00 0.00 C ATOM 961 CG LEU A 62 -2.660 -11.211 -7.988 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.109 -11.244 -6.526 1.00 0.00 C ATOM 963 CD2 LEU A 62 -2.679 -9.767 -8.478 1.00 0.00 C ATOM 0 H LEU A 62 -0.888 -13.323 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.191 -13.588 -8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.656 -11.514 -7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.737 -11.294 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.337 -11.825 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.121 -10.848 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.092 -12.272 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.434 -10.636 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.688 -9.365 -8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.993 -9.170 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.369 -9.733 -9.523 1.00 0.00 H new ATOM 975 N PHE A 63 1.090 -13.780 -8.599 1.00 0.00 N ATOM 976 CA PHE A 63 2.302 -14.152 -9.380 1.00 0.00 C ATOM 977 C PHE A 63 3.347 -14.776 -8.456 1.00 0.00 C ATOM 978 O PHE A 63 3.443 -15.980 -8.324 1.00 0.00 O ATOM 979 CB PHE A 63 2.884 -12.882 -10.009 1.00 0.00 C ATOM 980 CG PHE A 63 2.263 -12.658 -11.367 1.00 0.00 C ATOM 981 CD1 PHE A 63 1.048 -11.979 -11.467 1.00 0.00 C ATOM 982 CD2 PHE A 63 2.902 -13.129 -12.520 1.00 0.00 C ATOM 983 CE1 PHE A 63 0.465 -11.766 -12.722 1.00 0.00 C ATOM 984 CE2 PHE A 63 2.321 -12.918 -13.776 1.00 0.00 C ATOM 985 CZ PHE A 63 1.102 -12.236 -13.877 1.00 0.00 C ATOM 0 H PHE A 63 1.252 -13.602 -7.608 1.00 0.00 H new ATOM 0 HA PHE A 63 2.034 -14.873 -10.152 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.692 -12.024 -9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.966 -12.974 -10.104 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.557 -11.617 -10.576 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.842 -13.655 -12.441 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.475 -11.240 -12.799 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.813 -13.281 -14.667 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.653 -12.073 -14.846 1.00 0.00 H new ATOM 995 N GLY A 64 4.132 -13.956 -7.824 1.00 0.00 N ATOM 996 CA GLY A 64 5.189 -14.475 -6.909 1.00 0.00 C ATOM 997 C GLY A 64 6.442 -14.815 -7.716 1.00 0.00 C ATOM 998 O GLY A 64 7.185 -15.715 -7.379 1.00 0.00 O ATOM 0 H GLY A 64 4.089 -12.940 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.424 -13.730 -6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.829 -15.361 -6.386 1.00 0.00 H new ATOM 1002 N ASP A 65 6.680 -14.100 -8.779 1.00 0.00 N ATOM 1003 CA ASP A 65 7.885 -14.378 -9.612 1.00 0.00 C ATOM 1004 C ASP A 65 8.021 -13.299 -10.688 1.00 0.00 C ATOM 1005 O ASP A 65 7.520 -13.440 -11.785 1.00 0.00 O ATOM 1006 CB ASP A 65 7.739 -15.748 -10.278 1.00 0.00 C ATOM 1007 CG ASP A 65 8.913 -15.980 -11.231 1.00 0.00 C ATOM 1008 OD1 ASP A 65 9.991 -15.487 -10.942 1.00 0.00 O ATOM 1009 OD2 ASP A 65 8.715 -16.647 -12.233 1.00 0.00 O ATOM 0 H ASP A 65 6.092 -13.334 -9.108 1.00 0.00 H new ATOM 0 HA ASP A 65 8.773 -14.374 -8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.711 -16.531 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.797 -15.800 -10.825 1.00 0.00 H new ATOM 1014 N VAL A 66 8.699 -12.223 -10.379 1.00 0.00 N ATOM 1015 CA VAL A 66 8.878 -11.122 -11.374 1.00 0.00 C ATOM 1016 C VAL A 66 7.592 -10.934 -12.186 1.00 0.00 C ATOM 1017 O VAL A 66 6.543 -11.311 -11.690 1.00 0.00 O ATOM 1018 CB VAL A 66 10.055 -11.454 -12.309 1.00 0.00 C ATOM 1019 CG1 VAL A 66 9.752 -12.720 -13.122 1.00 0.00 C ATOM 1020 CG2 VAL A 66 10.307 -10.278 -13.267 1.00 0.00 C ATOM 1021 OXT VAL A 66 7.676 -10.415 -13.286 1.00 0.00 O ATOM 0 H VAL A 66 9.139 -12.059 -9.474 1.00 0.00 H new ATOM 0 HA VAL A 66 9.096 -10.193 -10.846 1.00 0.00 H new ATOM 0 HB VAL A 66 10.944 -11.627 -11.702 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.594 -12.941 -13.778 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.590 -13.558 -12.444 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.856 -12.561 -13.722 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.141 -10.518 -13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.413 -10.097 -13.864 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.546 -9.384 -12.691 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.882 7.924 2.994 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.216 -8.922 -0.293 1.00 0.00 ZN