USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -20:sc= 0.758 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.19) USER MOD Single : A 23 MET CE :methyl -153:sc= -1.97 (180deg=-4.5!) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.106) USER MOD Single : A 26 GLN : amide:sc= -7.48! K(o=-7.5!,f=-1.9) USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= -0.895 (180deg=-3.03!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.00046) USER MOD Single : A 46 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-1.6) USER MOD Single : A 47 TYR OH : rot 177:sc= -0.111 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= -0.337 K(o=-0.34,f=-5.6!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.346 27.720 2.575 1.00 0.00 N ATOM 2 CA GLY A 1 9.231 26.260 2.854 1.00 0.00 C ATOM 3 C GLY A 1 7.981 25.998 3.696 1.00 0.00 C ATOM 4 O GLY A 1 7.998 26.124 4.905 1.00 0.00 O ATOM 0 H1 GLY A 1 10.196 27.898 2.003 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.505 28.041 2.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.418 28.240 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.175 25.704 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.118 25.909 3.381 1.00 0.00 H new ATOM 10 N SER A 2 6.897 25.632 3.069 1.00 0.00 N ATOM 11 CA SER A 2 5.648 25.361 3.834 1.00 0.00 C ATOM 12 C SER A 2 4.716 24.486 2.995 1.00 0.00 C ATOM 13 O SER A 2 4.418 23.362 3.348 1.00 0.00 O ATOM 14 CB SER A 2 4.952 26.683 4.159 1.00 0.00 C ATOM 15 OG SER A 2 5.838 27.512 4.898 1.00 0.00 O ATOM 0 H SER A 2 6.823 25.509 2.059 1.00 0.00 H new ATOM 0 HA SER A 2 5.895 24.843 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.650 27.184 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.045 26.498 4.734 1.00 0.00 H new ATOM 0 HG SER A 2 6.545 26.962 5.295 1.00 0.00 H new ATOM 21 N MET A 3 4.252 24.992 1.885 1.00 0.00 N ATOM 22 CA MET A 3 3.340 24.187 1.023 1.00 0.00 C ATOM 23 C MET A 3 3.952 22.806 0.784 1.00 0.00 C ATOM 24 O MET A 3 5.108 22.681 0.432 1.00 0.00 O ATOM 25 CB MET A 3 3.145 24.899 -0.317 1.00 0.00 C ATOM 26 CG MET A 3 4.489 25.013 -1.037 1.00 0.00 C ATOM 27 SD MET A 3 4.357 26.229 -2.372 1.00 0.00 S ATOM 28 CE MET A 3 5.710 25.594 -3.392 1.00 0.00 C ATOM 0 H MET A 3 4.465 25.927 1.538 1.00 0.00 H new ATOM 0 HA MET A 3 2.375 24.075 1.518 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.436 24.347 -0.934 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.722 25.891 -0.155 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.266 25.312 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.781 24.044 -1.441 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.809 26.207 -4.287 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.640 25.627 -2.824 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.497 24.564 -3.679 1.00 0.00 H new ATOM 38 N GLY A 4 3.185 21.767 0.971 1.00 0.00 N ATOM 39 CA GLY A 4 3.725 20.394 0.754 1.00 0.00 C ATOM 40 C GLY A 4 2.737 19.364 1.303 1.00 0.00 C ATOM 41 O GLY A 4 1.662 19.179 0.771 1.00 0.00 O ATOM 0 H GLY A 4 2.209 21.809 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.893 20.222 -0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.690 20.289 1.250 1.00 0.00 H new ATOM 45 N VAL A 5 3.099 18.693 2.365 1.00 0.00 N ATOM 46 CA VAL A 5 2.191 17.668 2.962 1.00 0.00 C ATOM 47 C VAL A 5 1.841 16.608 1.907 1.00 0.00 C ATOM 48 O VAL A 5 1.404 16.940 0.823 1.00 0.00 O ATOM 49 CB VAL A 5 0.894 18.337 3.448 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.266 17.347 3.350 1.00 0.00 C ATOM 51 CG2 VAL A 5 1.032 18.771 4.907 1.00 0.00 C ATOM 0 H VAL A 5 3.990 18.811 2.848 1.00 0.00 H new ATOM 0 HA VAL A 5 2.697 17.197 3.804 1.00 0.00 H new ATOM 0 HB VAL A 5 0.704 19.208 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.183 17.825 3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.389 17.032 2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.055 16.476 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.106 19.243 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.235 17.899 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.853 19.482 4.999 1.00 0.00 H new ATOM 61 N PRO A 6 2.017 15.359 2.260 1.00 0.00 N ATOM 62 CA PRO A 6 1.697 14.246 1.364 1.00 0.00 C ATOM 63 C PRO A 6 0.198 14.061 1.314 1.00 0.00 C ATOM 64 O PRO A 6 -0.528 14.546 2.158 1.00 0.00 O ATOM 65 CB PRO A 6 2.360 13.020 2.002 1.00 0.00 C ATOM 66 CG PRO A 6 2.852 13.447 3.405 1.00 0.00 C ATOM 67 CD PRO A 6 2.558 14.944 3.565 1.00 0.00 C ATOM 0 HA PRO A 6 2.046 14.412 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.652 12.195 2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.193 12.671 1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.344 12.872 4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.919 13.253 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.841 15.124 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.461 15.501 3.815 1.00 0.00 H new ATOM 75 N ILE A 7 -0.270 13.357 0.337 1.00 0.00 N ATOM 76 CA ILE A 7 -1.727 13.129 0.230 1.00 0.00 C ATOM 77 C ILE A 7 -1.980 11.667 -0.088 1.00 0.00 C ATOM 78 O ILE A 7 -1.524 11.135 -1.081 1.00 0.00 O ATOM 79 CB ILE A 7 -2.308 14.042 -0.841 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.415 15.441 -0.239 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.695 13.537 -1.232 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.844 16.460 -1.288 1.00 0.00 C ATOM 0 H ILE A 7 0.294 12.927 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.218 13.364 1.174 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.678 14.057 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.134 15.433 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.454 15.733 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.116 14.187 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.616 12.522 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.344 13.541 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.912 17.447 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.110 16.483 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.817 16.180 -1.691 1.00 0.00 H new ATOM 94 N CYS A 8 -2.684 11.012 0.780 1.00 0.00 N ATOM 95 CA CYS A 8 -2.959 9.573 0.589 1.00 0.00 C ATOM 96 C CYS A 8 -3.682 9.358 -0.732 1.00 0.00 C ATOM 97 O CYS A 8 -4.797 9.799 -0.932 1.00 0.00 O ATOM 98 CB CYS A 8 -3.803 9.060 1.753 1.00 0.00 C ATOM 99 SG CYS A 8 -4.315 7.355 1.435 1.00 0.00 S ATOM 0 H CYS A 8 -3.086 11.419 1.625 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.020 9.019 0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.230 9.111 2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.680 9.694 1.885 1.00 0.00 H new ATOM 104 N GLY A 9 -3.043 8.680 -1.638 1.00 0.00 N ATOM 105 CA GLY A 9 -3.668 8.424 -2.959 1.00 0.00 C ATOM 106 C GLY A 9 -4.943 7.613 -2.761 1.00 0.00 C ATOM 107 O GLY A 9 -5.665 7.328 -3.695 1.00 0.00 O ATOM 0 H GLY A 9 -2.108 8.290 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.896 9.367 -3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.975 7.883 -3.604 1.00 0.00 H new ATOM 111 N ALA A 10 -5.222 7.234 -1.546 1.00 0.00 N ATOM 112 CA ALA A 10 -6.447 6.434 -1.278 1.00 0.00 C ATOM 113 C ALA A 10 -7.637 7.375 -1.103 1.00 0.00 C ATOM 114 O ALA A 10 -8.611 7.304 -1.827 1.00 0.00 O ATOM 115 CB ALA A 10 -6.247 5.609 -0.004 1.00 0.00 C ATOM 0 H ALA A 10 -4.653 7.444 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.638 5.762 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.144 5.022 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.397 4.940 -0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.058 6.277 0.836 1.00 0.00 H new ATOM 121 N CYS A 11 -7.561 8.255 -0.148 1.00 0.00 N ATOM 122 CA CYS A 11 -8.681 9.210 0.086 1.00 0.00 C ATOM 123 C CYS A 11 -8.327 10.562 -0.536 1.00 0.00 C ATOM 124 O CYS A 11 -9.102 11.497 -0.490 1.00 0.00 O ATOM 125 CB CYS A 11 -8.900 9.377 1.591 1.00 0.00 C ATOM 126 SG CYS A 11 -7.303 9.349 2.440 1.00 0.00 S ATOM 0 H CYS A 11 -6.768 8.356 0.485 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.594 8.827 -0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.414 10.317 1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.538 8.577 1.967 1.00 0.00 H new ATOM 131 N ARG A 12 -7.159 10.678 -1.111 1.00 0.00 N ATOM 132 CA ARG A 12 -6.762 11.972 -1.723 1.00 0.00 C ATOM 133 C ARG A 12 -6.818 13.057 -0.652 1.00 0.00 C ATOM 134 O ARG A 12 -7.222 14.175 -0.907 1.00 0.00 O ATOM 135 CB ARG A 12 -7.721 12.324 -2.865 1.00 0.00 C ATOM 136 CG ARG A 12 -7.977 11.083 -3.722 1.00 0.00 C ATOM 137 CD ARG A 12 -6.648 10.542 -4.253 1.00 0.00 C ATOM 138 NE ARG A 12 -6.905 9.644 -5.413 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.926 9.307 -6.208 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.721 9.756 -5.985 1.00 0.00 N ATOM 141 NH2 ARG A 12 -6.152 8.521 -7.225 1.00 0.00 N ATOM 0 H ARG A 12 -6.467 9.932 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.751 11.896 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.661 12.699 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.297 13.120 -3.477 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.482 10.319 -3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.637 11.332 -4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.002 11.367 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.125 9.998 -3.467 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.847 9.292 -5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.545 10.370 -5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.956 9.493 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.094 8.170 -7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.387 8.258 -7.846 1.00 0.00 H new ATOM 155 N ARG A 13 -6.410 12.733 0.547 1.00 0.00 N ATOM 156 CA ARG A 13 -6.430 13.737 1.648 1.00 0.00 C ATOM 157 C ARG A 13 -4.992 13.954 2.124 1.00 0.00 C ATOM 158 O ARG A 13 -4.188 13.048 2.051 1.00 0.00 O ATOM 159 CB ARG A 13 -7.280 13.210 2.807 1.00 0.00 C ATOM 160 CG ARG A 13 -8.765 13.267 2.430 1.00 0.00 C ATOM 161 CD ARG A 13 -9.219 14.725 2.270 1.00 0.00 C ATOM 162 NE ARG A 13 -10.654 14.839 2.650 1.00 0.00 N ATOM 163 CZ ARG A 13 -11.177 16.012 2.878 1.00 0.00 C ATOM 164 NH1 ARG A 13 -10.443 17.086 2.773 1.00 0.00 N ATOM 165 NH2 ARG A 13 -12.435 16.113 3.211 1.00 0.00 N ATOM 0 H ARG A 13 -6.062 11.811 0.811 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.856 14.676 1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.994 12.185 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.100 13.805 3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.932 12.723 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.361 12.776 3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.612 15.378 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.077 15.051 1.240 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.228 14.000 2.732 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.460 17.008 2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.852 18.003 2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.010 15.274 3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.843 17.031 3.389 1.00 0.00 H new ATOM 179 N PRO A 14 -4.696 15.144 2.589 1.00 0.00 N ATOM 180 CA PRO A 14 -3.339 15.468 3.058 1.00 0.00 C ATOM 181 C PRO A 14 -2.923 14.539 4.198 1.00 0.00 C ATOM 182 O PRO A 14 -3.467 14.587 5.284 1.00 0.00 O ATOM 183 CB PRO A 14 -3.422 16.931 3.518 1.00 0.00 C ATOM 184 CG PRO A 14 -4.853 17.437 3.233 1.00 0.00 C ATOM 185 CD PRO A 14 -5.669 16.250 2.694 1.00 0.00 C ATOM 0 HA PRO A 14 -2.586 15.335 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.194 17.010 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.689 17.540 2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.307 17.832 4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.834 18.250 2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.488 15.995 3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.112 16.481 1.725 1.00 0.00 H new ATOM 193 N ILE A 15 -1.948 13.699 3.961 1.00 0.00 N ATOM 194 CA ILE A 15 -1.491 12.780 5.042 1.00 0.00 C ATOM 195 C ILE A 15 -0.782 13.616 6.107 1.00 0.00 C ATOM 196 O ILE A 15 -0.373 14.731 5.849 1.00 0.00 O ATOM 197 CB ILE A 15 -0.545 11.716 4.475 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.301 10.849 3.464 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.041 10.827 5.614 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.335 10.346 2.386 1.00 0.00 C ATOM 0 H ILE A 15 -1.453 13.611 3.073 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.344 12.263 5.481 1.00 0.00 H new ATOM 0 HB ILE A 15 0.298 12.204 3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.766 10.004 3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.104 11.426 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.632 10.069 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.492 11.437 6.343 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.888 10.341 6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.878 9.730 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.109 11.197 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.452 9.753 2.851 1.00 0.00 H new ATOM 212 N GLU A 16 -0.643 13.116 7.304 1.00 0.00 N ATOM 213 CA GLU A 16 0.026 13.941 8.354 1.00 0.00 C ATOM 214 C GLU A 16 0.304 13.102 9.598 1.00 0.00 C ATOM 215 O GLU A 16 -0.304 13.281 10.634 1.00 0.00 O ATOM 216 CB GLU A 16 -0.880 15.118 8.726 1.00 0.00 C ATOM 217 CG GLU A 16 -2.318 14.622 8.890 1.00 0.00 C ATOM 218 CD GLU A 16 -3.164 15.717 9.544 1.00 0.00 C ATOM 219 OE1 GLU A 16 -2.747 16.863 9.505 1.00 0.00 O ATOM 220 OE2 GLU A 16 -4.215 15.391 10.071 1.00 0.00 O ATOM 0 H GLU A 16 -0.956 12.191 7.599 1.00 0.00 H new ATOM 0 HA GLU A 16 0.974 14.310 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.535 15.578 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.834 15.885 7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.735 14.356 7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.335 13.720 9.502 1.00 0.00 H new ATOM 227 N GLY A 17 1.226 12.193 9.502 1.00 0.00 N ATOM 228 CA GLY A 17 1.566 11.338 10.673 1.00 0.00 C ATOM 229 C GLY A 17 2.333 10.123 10.176 1.00 0.00 C ATOM 230 O GLY A 17 3.433 9.839 10.607 1.00 0.00 O ATOM 0 H GLY A 17 1.765 12.002 8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.167 11.898 11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.659 11.027 11.191 1.00 0.00 H new ATOM 234 N ARG A 18 1.755 9.417 9.257 1.00 0.00 N ATOM 235 CA ARG A 18 2.420 8.218 8.685 1.00 0.00 C ATOM 236 C ARG A 18 2.160 8.203 7.178 1.00 0.00 C ATOM 237 O ARG A 18 1.038 8.342 6.738 1.00 0.00 O ATOM 238 CB ARG A 18 1.833 6.961 9.334 1.00 0.00 C ATOM 239 CG ARG A 18 2.861 6.339 10.286 1.00 0.00 C ATOM 240 CD ARG A 18 2.239 5.141 11.009 1.00 0.00 C ATOM 241 NE ARG A 18 0.900 5.516 11.573 1.00 0.00 N ATOM 242 CZ ARG A 18 0.751 6.567 12.337 1.00 0.00 C ATOM 243 NH1 ARG A 18 1.790 7.239 12.750 1.00 0.00 N ATOM 244 NH2 ARG A 18 -0.444 6.920 12.725 1.00 0.00 N ATOM 0 H ARG A 18 0.834 9.621 8.869 1.00 0.00 H new ATOM 0 HA ARG A 18 3.493 8.243 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.924 7.213 9.880 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.553 6.241 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.742 6.022 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.194 7.081 11.012 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.130 4.306 10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.899 4.807 11.810 1.00 0.00 H new ATOM 0 HE ARG A 18 0.088 4.938 11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.728 6.946 12.477 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.664 8.057 13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.256 6.377 12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.566 7.739 13.321 1.00 0.00 H new ATOM 258 N VAL A 19 3.185 8.047 6.383 1.00 0.00 N ATOM 259 CA VAL A 19 2.986 8.041 4.902 1.00 0.00 C ATOM 260 C VAL A 19 3.596 6.785 4.290 1.00 0.00 C ATOM 261 O VAL A 19 4.548 6.226 4.797 1.00 0.00 O ATOM 262 CB VAL A 19 3.673 9.263 4.279 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.411 9.291 2.762 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.122 10.544 4.907 1.00 0.00 C ATOM 0 H VAL A 19 4.149 7.924 6.693 1.00 0.00 H new ATOM 0 HA VAL A 19 1.915 8.066 4.702 1.00 0.00 H new ATOM 0 HB VAL A 19 4.745 9.198 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.901 10.161 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.808 8.383 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.338 9.349 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.613 11.409 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.048 10.604 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.311 10.533 5.980 1.00 0.00 H new ATOM 274 N VAL A 20 3.067 6.364 3.176 1.00 0.00 N ATOM 275 CA VAL A 20 3.612 5.173 2.475 1.00 0.00 C ATOM 276 C VAL A 20 3.887 5.583 1.037 1.00 0.00 C ATOM 277 O VAL A 20 2.989 5.938 0.308 1.00 0.00 O ATOM 278 CB VAL A 20 2.594 4.031 2.498 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.910 3.033 1.378 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.663 3.320 3.848 1.00 0.00 C ATOM 0 H VAL A 20 2.269 6.802 2.716 1.00 0.00 H new ATOM 0 HA VAL A 20 4.522 4.826 2.965 1.00 0.00 H new ATOM 0 HB VAL A 20 1.593 4.435 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.183 2.221 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.861 3.540 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.911 2.627 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.939 2.506 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.665 2.918 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.434 4.028 4.644 1.00 0.00 H new ATOM 290 N ASN A 21 5.116 5.558 0.622 1.00 0.00 N ATOM 291 CA ASN A 21 5.419 5.969 -0.772 1.00 0.00 C ATOM 292 C ASN A 21 5.272 4.765 -1.698 1.00 0.00 C ATOM 293 O ASN A 21 6.101 3.877 -1.719 1.00 0.00 O ATOM 294 CB ASN A 21 6.843 6.510 -0.842 1.00 0.00 C ATOM 295 CG ASN A 21 6.898 7.894 -0.194 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.564 8.783 -0.686 1.00 0.00 O ATOM 297 ND2 ASN A 21 6.219 8.116 0.899 1.00 0.00 N ATOM 0 H ASN A 21 5.920 5.273 1.182 1.00 0.00 H new ATOM 0 HA ASN A 21 4.725 6.748 -1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.526 5.831 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.169 6.570 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.248 9.036 1.339 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.660 7.370 1.312 1.00 0.00 H new ATOM 304 N ALA A 22 4.217 4.729 -2.462 1.00 0.00 N ATOM 305 CA ALA A 22 4.002 3.584 -3.389 1.00 0.00 C ATOM 306 C ALA A 22 3.297 4.087 -4.645 1.00 0.00 C ATOM 307 O ALA A 22 2.691 5.140 -4.645 1.00 0.00 O ATOM 308 CB ALA A 22 3.126 2.537 -2.703 1.00 0.00 C ATOM 0 H ALA A 22 3.492 5.446 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 22 4.961 3.139 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.966 1.697 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.621 2.185 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.165 2.981 -2.442 1.00 0.00 H new ATOM 314 N MET A 23 3.374 3.352 -5.720 1.00 0.00 N ATOM 315 CA MET A 23 2.708 3.807 -6.968 1.00 0.00 C ATOM 316 C MET A 23 3.265 5.172 -7.328 1.00 0.00 C ATOM 317 O MET A 23 2.680 5.929 -8.077 1.00 0.00 O ATOM 318 CB MET A 23 1.201 3.926 -6.739 1.00 0.00 C ATOM 319 CG MET A 23 0.678 2.697 -5.988 1.00 0.00 C ATOM 320 SD MET A 23 0.556 1.304 -7.136 1.00 0.00 S ATOM 321 CE MET A 23 1.107 0.001 -6.006 1.00 0.00 C ATOM 0 H MET A 23 3.867 2.461 -5.786 1.00 0.00 H new ATOM 0 HA MET A 23 2.890 3.092 -7.770 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.983 4.829 -6.169 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.687 4.022 -7.696 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.347 2.447 -5.165 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.298 2.911 -5.552 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.558 -0.810 -6.578 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.842 0.408 -5.312 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.253 -0.381 -5.447 1.00 0.00 H new ATOM 331 N GLY A 24 4.389 5.492 -6.773 1.00 0.00 N ATOM 332 CA GLY A 24 5.003 6.817 -7.042 1.00 0.00 C ATOM 333 C GLY A 24 4.143 7.882 -6.369 1.00 0.00 C ATOM 334 O GLY A 24 4.143 9.037 -6.747 1.00 0.00 O ATOM 0 H GLY A 24 4.916 4.891 -6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.022 6.850 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.063 6.998 -8.115 1.00 0.00 H new ATOM 338 N LYS A 25 3.397 7.480 -5.378 1.00 0.00 N ATOM 339 CA LYS A 25 2.502 8.429 -4.657 1.00 0.00 C ATOM 340 C LYS A 25 2.733 8.314 -3.150 1.00 0.00 C ATOM 341 O LYS A 25 3.775 7.890 -2.697 1.00 0.00 O ATOM 342 CB LYS A 25 1.045 8.061 -4.967 1.00 0.00 C ATOM 343 CG LYS A 25 0.774 8.209 -6.474 1.00 0.00 C ATOM 344 CD LYS A 25 -0.445 9.109 -6.696 1.00 0.00 C ATOM 345 CE LYS A 25 -0.819 9.107 -8.180 1.00 0.00 C ATOM 346 NZ LYS A 25 0.232 9.819 -8.958 1.00 0.00 N ATOM 0 H LYS A 25 3.369 6.521 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 25 2.714 9.449 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.845 7.037 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.371 8.705 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.647 8.634 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.600 7.229 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.285 8.755 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.225 10.125 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.921 8.083 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.784 9.593 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.098 9.967 -9.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.428 10.739 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.101 9.248 -8.970 1.00 0.00 H new ATOM 360 N GLN A 26 1.751 8.688 -2.384 1.00 0.00 N ATOM 361 CA GLN A 26 1.849 8.614 -0.900 1.00 0.00 C ATOM 362 C GLN A 26 0.545 7.996 -0.397 1.00 0.00 C ATOM 363 O GLN A 26 -0.505 8.232 -0.961 1.00 0.00 O ATOM 364 CB GLN A 26 2.015 10.033 -0.350 1.00 0.00 C ATOM 365 CG GLN A 26 3.475 10.484 -0.551 1.00 0.00 C ATOM 366 CD GLN A 26 3.538 11.948 -1.003 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.602 12.459 -1.289 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.442 12.651 -1.081 1.00 0.00 N ATOM 0 H GLN A 26 0.863 9.051 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 26 2.699 8.014 -0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.337 10.716 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.756 10.059 0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.029 10.362 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.957 9.849 -1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.546 12.227 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.481 13.625 -1.381 1.00 0.00 H new ATOM 377 N TRP A 27 0.581 7.184 0.627 1.00 0.00 N ATOM 378 CA TRP A 27 -0.684 6.549 1.097 1.00 0.00 C ATOM 379 C TRP A 27 -0.702 6.470 2.620 1.00 0.00 C ATOM 380 O TRP A 27 0.294 6.150 3.238 1.00 0.00 O ATOM 381 CB TRP A 27 -0.764 5.137 0.513 1.00 0.00 C ATOM 382 CG TRP A 27 -0.590 5.195 -0.970 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.595 5.281 -1.618 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.615 5.170 -1.995 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.356 5.316 -2.981 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.995 5.251 -3.263 1.00 0.00 C ATOM 387 CE3 TRP A 27 -3.010 5.087 -1.942 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.742 5.250 -4.440 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.768 5.086 -3.117 1.00 0.00 C ATOM 390 CH2 TRP A 27 -3.137 5.168 -4.368 1.00 0.00 C ATOM 0 H TRP A 27 1.420 6.936 1.152 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.536 7.145 0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.007 4.506 0.955 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.725 4.685 0.759 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.567 5.316 -1.149 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.087 5.382 -3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.506 5.023 -0.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.249 5.312 -5.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.845 5.022 -3.062 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.727 5.168 -5.273 1.00 0.00 H new ATOM 401 N HIS A 28 -1.827 6.719 3.243 1.00 0.00 N ATOM 402 CA HIS A 28 -1.857 6.601 4.728 1.00 0.00 C ATOM 403 C HIS A 28 -1.383 5.185 5.054 1.00 0.00 C ATOM 404 O HIS A 28 -1.722 4.243 4.365 1.00 0.00 O ATOM 405 CB HIS A 28 -3.278 6.787 5.268 1.00 0.00 C ATOM 406 CG HIS A 28 -3.614 8.248 5.357 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.585 8.827 4.561 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.129 9.255 6.152 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.655 10.131 4.887 1.00 0.00 C ATOM 410 NE2 HIS A 28 -3.788 10.444 5.854 1.00 0.00 N ATOM 0 H HIS A 28 -2.704 6.992 2.799 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.227 7.366 5.182 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.991 6.282 4.617 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.364 6.326 6.252 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.354 9.142 6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.329 10.837 4.424 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.641 11.358 6.282 1.00 0.00 H new ATOM 418 N VAL A 29 -0.606 5.012 6.074 1.00 0.00 N ATOM 419 CA VAL A 29 -0.128 3.645 6.399 1.00 0.00 C ATOM 420 C VAL A 29 -1.331 2.736 6.651 1.00 0.00 C ATOM 421 O VAL A 29 -1.231 1.526 6.594 1.00 0.00 O ATOM 422 CB VAL A 29 0.763 3.710 7.641 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.840 2.333 8.300 1.00 0.00 C ATOM 424 CG2 VAL A 29 2.164 4.163 7.223 1.00 0.00 C ATOM 0 H VAL A 29 -0.280 5.751 6.697 1.00 0.00 H new ATOM 0 HA VAL A 29 0.450 3.240 5.568 1.00 0.00 H new ATOM 0 HB VAL A 29 0.344 4.418 8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.476 2.387 9.183 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.160 2.013 8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.259 1.615 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.807 4.213 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.579 3.451 6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.105 5.148 6.760 1.00 0.00 H new ATOM 434 N GLU A 30 -2.467 3.311 6.934 1.00 0.00 N ATOM 435 CA GLU A 30 -3.678 2.487 7.196 1.00 0.00 C ATOM 436 C GLU A 30 -4.524 2.361 5.920 1.00 0.00 C ATOM 437 O GLU A 30 -5.428 1.551 5.854 1.00 0.00 O ATOM 438 CB GLU A 30 -4.513 3.144 8.296 1.00 0.00 C ATOM 439 CG GLU A 30 -4.645 4.643 8.016 1.00 0.00 C ATOM 440 CD GLU A 30 -5.720 5.240 8.926 1.00 0.00 C ATOM 441 OE1 GLU A 30 -5.663 4.992 10.118 1.00 0.00 O ATOM 442 OE2 GLU A 30 -6.580 5.937 8.414 1.00 0.00 O ATOM 0 H GLU A 30 -2.608 4.319 6.995 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.366 1.492 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.500 2.684 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.043 2.985 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.691 5.141 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.907 4.807 6.971 1.00 0.00 H new ATOM 449 N HIS A 31 -4.249 3.149 4.908 1.00 0.00 N ATOM 450 CA HIS A 31 -5.055 3.053 3.648 1.00 0.00 C ATOM 451 C HIS A 31 -4.240 2.360 2.560 1.00 0.00 C ATOM 452 O HIS A 31 -4.761 2.007 1.521 1.00 0.00 O ATOM 453 CB HIS A 31 -5.464 4.451 3.171 1.00 0.00 C ATOM 454 CG HIS A 31 -6.391 5.076 4.183 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.581 6.452 4.286 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.200 4.518 5.144 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.473 6.662 5.273 1.00 0.00 C ATOM 458 NE2 HIS A 31 -7.879 5.519 5.828 1.00 0.00 N ATOM 0 H HIS A 31 -3.508 3.849 4.899 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.953 2.471 3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.580 5.075 3.038 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -5.957 4.386 2.201 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.294 3.460 5.338 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.818 7.639 5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.546 5.404 6.591 1.00 0.00 H new ATOM 466 N PHE A 32 -2.978 2.125 2.790 1.00 0.00 N ATOM 467 CA PHE A 32 -2.181 1.414 1.759 1.00 0.00 C ATOM 468 C PHE A 32 -2.470 -0.064 1.928 1.00 0.00 C ATOM 469 O PHE A 32 -2.018 -0.696 2.861 1.00 0.00 O ATOM 470 CB PHE A 32 -0.684 1.674 1.928 1.00 0.00 C ATOM 471 CG PHE A 32 0.027 1.193 0.680 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.299 1.744 -0.566 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.987 0.179 0.764 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.337 1.285 -1.722 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.619 -0.283 -0.395 1.00 0.00 C ATOM 476 CZ PHE A 32 1.296 0.269 -1.637 1.00 0.00 C ATOM 0 H PHE A 32 -2.472 2.391 3.635 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.454 1.768 0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.499 2.737 2.085 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.305 1.151 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.043 2.524 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.240 -0.247 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.089 1.714 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.358 -1.068 -0.330 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.786 -0.088 -2.531 1.00 0.00 H new ATOM 486 N VAL A 33 -3.272 -0.604 1.064 1.00 0.00 N ATOM 487 CA VAL A 33 -3.660 -2.028 1.197 1.00 0.00 C ATOM 488 C VAL A 33 -3.382 -2.805 -0.079 1.00 0.00 C ATOM 489 O VAL A 33 -2.961 -2.273 -1.087 1.00 0.00 O ATOM 490 CB VAL A 33 -5.161 -2.093 1.466 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.518 -1.276 2.717 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.905 -1.522 0.254 1.00 0.00 C ATOM 0 H VAL A 33 -3.679 -0.117 0.265 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.080 -2.467 2.009 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.452 -3.130 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.592 -1.333 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.986 -1.679 3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.230 -0.236 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.979 -1.563 0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.603 -0.487 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.663 -2.110 -0.632 1.00 0.00 H new ATOM 502 N CYS A 34 -3.651 -4.071 -0.019 1.00 0.00 N ATOM 503 CA CYS A 34 -3.458 -4.958 -1.189 1.00 0.00 C ATOM 504 C CYS A 34 -4.468 -4.601 -2.279 1.00 0.00 C ATOM 505 O CYS A 34 -5.565 -4.157 -2.004 1.00 0.00 O ATOM 506 CB CYS A 34 -3.684 -6.390 -0.725 1.00 0.00 C ATOM 507 SG CYS A 34 -4.077 -7.456 -2.131 1.00 0.00 S ATOM 0 H CYS A 34 -4.006 -4.541 0.814 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.454 -4.842 -1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.792 -6.760 -0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.497 -6.420 0.000 1.00 0.00 H new ATOM 512 N ALA A 35 -4.102 -4.790 -3.514 1.00 0.00 N ATOM 513 CA ALA A 35 -5.031 -4.463 -4.628 1.00 0.00 C ATOM 514 C ALA A 35 -5.845 -5.709 -4.997 1.00 0.00 C ATOM 515 O ALA A 35 -6.305 -5.856 -6.112 1.00 0.00 O ATOM 516 CB ALA A 35 -4.207 -4.000 -5.827 1.00 0.00 C ATOM 0 H ALA A 35 -3.195 -5.159 -3.801 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.718 -3.672 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.874 -3.756 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.630 -3.117 -5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.528 -4.797 -6.131 1.00 0.00 H new ATOM 522 N LYS A 36 -6.025 -6.607 -4.062 1.00 0.00 N ATOM 523 CA LYS A 36 -6.810 -7.853 -4.340 1.00 0.00 C ATOM 524 C LYS A 36 -7.797 -8.110 -3.200 1.00 0.00 C ATOM 525 O LYS A 36 -8.841 -8.700 -3.394 1.00 0.00 O ATOM 526 CB LYS A 36 -5.858 -9.053 -4.436 1.00 0.00 C ATOM 527 CG LYS A 36 -6.640 -10.320 -4.803 1.00 0.00 C ATOM 528 CD LYS A 36 -7.352 -10.126 -6.150 1.00 0.00 C ATOM 529 CE LYS A 36 -7.474 -11.472 -6.872 1.00 0.00 C ATOM 530 NZ LYS A 36 -6.206 -11.761 -7.600 1.00 0.00 N ATOM 0 H LYS A 36 -5.661 -6.532 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.349 -7.725 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.092 -8.860 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.344 -9.196 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.962 -11.172 -4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.370 -10.545 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.342 -9.698 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.796 -9.421 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.682 -12.265 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.310 -11.448 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.420 -12.274 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.726 -10.867 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.587 -12.344 -7.001 1.00 0.00 H new ATOM 544 N CYS A 37 -7.463 -7.696 -2.007 1.00 0.00 N ATOM 545 CA CYS A 37 -8.369 -7.944 -0.846 1.00 0.00 C ATOM 546 C CYS A 37 -8.538 -6.667 -0.019 1.00 0.00 C ATOM 547 O CYS A 37 -9.435 -6.564 0.793 1.00 0.00 O ATOM 548 CB CYS A 37 -7.747 -9.030 0.026 1.00 0.00 C ATOM 549 SG CYS A 37 -6.238 -8.380 0.781 1.00 0.00 S ATOM 0 H CYS A 37 -6.602 -7.197 -1.785 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.348 -8.256 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.450 -9.343 0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.519 -9.911 -0.574 1.00 0.00 H new ATOM 554 N GLU A 38 -7.687 -5.697 -0.215 1.00 0.00 N ATOM 555 CA GLU A 38 -7.797 -4.430 0.553 1.00 0.00 C ATOM 556 C GLU A 38 -7.392 -4.654 2.010 1.00 0.00 C ATOM 557 O GLU A 38 -8.047 -4.194 2.924 1.00 0.00 O ATOM 558 CB GLU A 38 -9.232 -3.887 0.489 1.00 0.00 C ATOM 559 CG GLU A 38 -9.795 -4.055 -0.935 1.00 0.00 C ATOM 560 CD GLU A 38 -10.800 -5.209 -0.966 1.00 0.00 C ATOM 561 OE1 GLU A 38 -11.792 -5.124 -0.260 1.00 0.00 O ATOM 562 OE2 GLU A 38 -10.560 -6.157 -1.695 1.00 0.00 O ATOM 0 H GLU A 38 -6.915 -5.731 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.123 -3.699 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.862 -4.417 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.244 -2.835 0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.278 -3.132 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.983 -4.250 -1.636 1.00 0.00 H new ATOM 569 N LYS A 39 -6.294 -5.324 2.230 1.00 0.00 N ATOM 570 CA LYS A 39 -5.814 -5.542 3.624 1.00 0.00 C ATOM 571 C LYS A 39 -4.682 -4.538 3.885 1.00 0.00 C ATOM 572 O LYS A 39 -3.642 -4.625 3.263 1.00 0.00 O ATOM 573 CB LYS A 39 -5.282 -6.972 3.774 1.00 0.00 C ATOM 574 CG LYS A 39 -6.412 -7.903 4.245 1.00 0.00 C ATOM 575 CD LYS A 39 -5.831 -9.022 5.106 1.00 0.00 C ATOM 576 CE LYS A 39 -4.833 -9.838 4.283 1.00 0.00 C ATOM 577 NZ LYS A 39 -4.532 -11.115 4.990 1.00 0.00 N ATOM 0 H LYS A 39 -5.707 -5.731 1.502 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.627 -5.401 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.883 -7.323 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.461 -6.991 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.149 -7.337 4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.931 -8.325 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.337 -8.601 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.631 -9.667 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.244 -10.045 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.916 -9.268 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.853 -11.670 4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.123 -10.907 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.409 -11.660 5.110 1.00 0.00 H new ATOM 591 N PRO A 40 -4.916 -3.590 4.762 1.00 0.00 N ATOM 592 CA PRO A 40 -3.917 -2.551 5.055 1.00 0.00 C ATOM 593 C PRO A 40 -2.750 -3.127 5.839 1.00 0.00 C ATOM 594 O PRO A 40 -2.916 -3.852 6.800 1.00 0.00 O ATOM 595 CB PRO A 40 -4.667 -1.509 5.891 1.00 0.00 C ATOM 596 CG PRO A 40 -5.996 -2.161 6.338 1.00 0.00 C ATOM 597 CD PRO A 40 -6.169 -3.464 5.532 1.00 0.00 C ATOM 0 HA PRO A 40 -3.495 -2.124 4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.075 -1.209 6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.856 -0.609 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.979 -2.371 7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.833 -1.486 6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.319 -4.321 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.036 -3.412 4.874 1.00 0.00 H new ATOM 605 N PHE A 41 -1.570 -2.785 5.435 1.00 0.00 N ATOM 606 CA PHE A 41 -0.359 -3.280 6.150 1.00 0.00 C ATOM 607 C PHE A 41 0.038 -2.249 7.196 1.00 0.00 C ATOM 608 O PHE A 41 1.124 -1.704 7.178 1.00 0.00 O ATOM 609 CB PHE A 41 0.784 -3.473 5.159 1.00 0.00 C ATOM 610 CG PHE A 41 0.211 -3.819 3.812 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.273 -5.105 3.574 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.174 -2.856 2.803 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.792 -5.435 2.317 1.00 0.00 C ATOM 614 CE2 PHE A 41 -0.348 -3.180 1.546 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.827 -4.471 1.302 1.00 0.00 C ATOM 0 H PHE A 41 -1.383 -2.180 4.635 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.573 -4.236 6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.381 -2.564 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.449 -4.267 5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.247 -5.846 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.548 -1.861 2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.165 -6.431 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.381 -2.434 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.224 -4.725 0.330 1.00 0.00 H new ATOM 625 N LEU A 42 -0.848 -1.975 8.101 1.00 0.00 N ATOM 626 CA LEU A 42 -0.558 -0.970 9.161 1.00 0.00 C ATOM 627 C LEU A 42 0.880 -1.146 9.648 1.00 0.00 C ATOM 628 O LEU A 42 1.676 -0.229 9.618 1.00 0.00 O ATOM 629 CB LEU A 42 -1.526 -1.178 10.330 1.00 0.00 C ATOM 630 CG LEU A 42 -2.865 -0.479 10.028 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.782 -1.429 9.264 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.560 -0.074 11.325 1.00 0.00 C ATOM 0 H LEU A 42 -1.771 -2.406 8.157 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.682 0.036 8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.690 -2.243 10.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.095 -0.777 11.247 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.660 0.410 9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.728 -0.930 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.307 -1.718 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.967 -2.318 9.866 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.504 0.418 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.752 -0.962 11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.921 0.611 11.882 1.00 0.00 H new ATOM 644 N GLY A 43 1.212 -2.324 10.088 1.00 0.00 N ATOM 645 CA GLY A 43 2.598 -2.587 10.575 1.00 0.00 C ATOM 646 C GLY A 43 3.163 -3.812 9.856 1.00 0.00 C ATOM 647 O GLY A 43 4.047 -4.480 10.354 1.00 0.00 O ATOM 0 H GLY A 43 0.581 -3.124 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.231 -1.719 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.592 -2.754 11.652 1.00 0.00 H new ATOM 651 N HIS A 44 2.652 -4.115 8.692 1.00 0.00 N ATOM 652 CA HIS A 44 3.151 -5.306 7.936 1.00 0.00 C ATOM 653 C HIS A 44 3.832 -4.855 6.641 1.00 0.00 C ATOM 654 O HIS A 44 3.739 -3.714 6.237 1.00 0.00 O ATOM 655 CB HIS A 44 1.972 -6.226 7.596 1.00 0.00 C ATOM 656 CG HIS A 44 1.654 -7.101 8.777 1.00 0.00 C ATOM 657 ND1 HIS A 44 1.332 -8.441 8.639 1.00 0.00 N ATOM 658 CD2 HIS A 44 1.605 -6.838 10.122 1.00 0.00 C ATOM 659 CE1 HIS A 44 1.106 -8.932 9.872 1.00 0.00 C ATOM 660 NE2 HIS A 44 1.259 -7.996 10.813 1.00 0.00 N ATOM 0 H HIS A 44 1.910 -3.590 8.230 1.00 0.00 H new ATOM 0 HA HIS A 44 3.872 -5.844 8.552 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.100 -5.631 7.327 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.217 -6.842 6.731 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.804 -5.879 10.576 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.834 -9.957 10.076 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.147 -8.106 11.821 1.00 0.00 H new ATOM 668 N ARG A 45 4.514 -5.757 5.989 1.00 0.00 N ATOM 669 CA ARG A 45 5.208 -5.408 4.713 1.00 0.00 C ATOM 670 C ARG A 45 4.211 -5.508 3.555 1.00 0.00 C ATOM 671 O ARG A 45 3.223 -6.209 3.639 1.00 0.00 O ATOM 672 CB ARG A 45 6.366 -6.393 4.489 1.00 0.00 C ATOM 673 CG ARG A 45 6.721 -6.470 2.999 1.00 0.00 C ATOM 674 CD ARG A 45 8.072 -7.172 2.828 1.00 0.00 C ATOM 675 NE ARG A 45 8.281 -8.136 3.945 1.00 0.00 N ATOM 676 CZ ARG A 45 9.205 -9.053 3.854 1.00 0.00 C ATOM 677 NH1 ARG A 45 9.946 -9.127 2.783 1.00 0.00 N ATOM 678 NH2 ARG A 45 9.387 -9.895 4.834 1.00 0.00 N ATOM 0 H ARG A 45 4.622 -6.727 6.286 1.00 0.00 H new ATOM 0 HA ARG A 45 5.599 -4.392 4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.238 -6.076 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.087 -7.381 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.946 -7.013 2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.764 -5.468 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.103 -7.695 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.876 -6.436 2.814 1.00 0.00 H new ATOM 0 HE ARG A 45 7.701 -8.079 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.803 -8.468 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.668 -9.843 2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.807 -9.836 5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.109 -10.612 4.763 1.00 0.00 H new ATOM 692 N HIS A 46 4.466 -4.819 2.470 1.00 0.00 N ATOM 693 CA HIS A 46 3.532 -4.889 1.306 1.00 0.00 C ATOM 694 C HIS A 46 4.268 -5.397 0.077 1.00 0.00 C ATOM 695 O HIS A 46 5.476 -5.532 0.061 1.00 0.00 O ATOM 696 CB HIS A 46 2.964 -3.511 0.988 1.00 0.00 C ATOM 697 CG HIS A 46 4.069 -2.491 1.008 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.559 -1.952 2.186 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.790 -1.905 -0.003 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.533 -1.081 1.859 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.714 -1.015 0.537 1.00 0.00 N ATOM 0 H HIS A 46 5.277 -4.214 2.341 1.00 0.00 H new ATOM 0 HA HIS A 46 2.721 -5.568 1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.484 -3.522 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.198 -3.246 1.716 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.660 -2.104 -1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.098 -0.506 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.385 -0.437 0.032 1.00 0.00 H new ATOM 709 N TYR A 47 3.528 -5.690 -0.949 1.00 0.00 N ATOM 710 CA TYR A 47 4.130 -6.210 -2.200 1.00 0.00 C ATOM 711 C TYR A 47 3.489 -5.482 -3.383 1.00 0.00 C ATOM 712 O TYR A 47 2.292 -5.273 -3.418 1.00 0.00 O ATOM 713 CB TYR A 47 3.860 -7.710 -2.245 1.00 0.00 C ATOM 714 CG TYR A 47 4.218 -8.282 -0.889 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.415 -7.997 0.227 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.370 -9.060 -0.733 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.765 -8.488 1.487 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.719 -9.543 0.534 1.00 0.00 C ATOM 719 CZ TYR A 47 4.921 -9.256 1.639 1.00 0.00 C ATOM 720 OH TYR A 47 5.278 -9.730 2.887 1.00 0.00 O ATOM 0 H TYR A 47 2.513 -5.589 -0.973 1.00 0.00 H new ATOM 0 HA TYR A 47 5.206 -6.041 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.813 -7.904 -2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.453 -8.182 -3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.525 -7.397 0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.989 -9.288 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.142 -8.274 2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.610 -10.140 0.655 1.00 0.00 H new ATOM 0 HH TYR A 47 6.081 -10.287 2.808 1.00 0.00 H new ATOM 730 N GLU A 48 4.280 -5.053 -4.333 1.00 0.00 N ATOM 731 CA GLU A 48 3.720 -4.288 -5.491 1.00 0.00 C ATOM 732 C GLU A 48 3.790 -5.105 -6.777 1.00 0.00 C ATOM 733 O GLU A 48 4.756 -5.792 -7.043 1.00 0.00 O ATOM 734 CB GLU A 48 4.531 -2.999 -5.673 1.00 0.00 C ATOM 735 CG GLU A 48 3.933 -1.890 -4.807 1.00 0.00 C ATOM 736 CD GLU A 48 4.745 -0.607 -4.986 1.00 0.00 C ATOM 737 OE1 GLU A 48 5.140 -0.330 -6.107 1.00 0.00 O ATOM 738 OE2 GLU A 48 4.958 0.078 -3.999 1.00 0.00 O ATOM 0 H GLU A 48 5.289 -5.199 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 48 2.674 -4.061 -5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.571 -3.170 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.526 -2.699 -6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.894 -1.717 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.936 -2.191 -3.759 1.00 0.00 H new ATOM 745 N ARG A 49 2.771 -5.008 -7.588 1.00 0.00 N ATOM 746 CA ARG A 49 2.769 -5.752 -8.878 1.00 0.00 C ATOM 747 C ARG A 49 2.063 -4.937 -9.961 1.00 0.00 C ATOM 748 O ARG A 49 1.013 -4.363 -9.743 1.00 0.00 O ATOM 749 CB ARG A 49 2.039 -7.082 -8.731 1.00 0.00 C ATOM 750 CG ARG A 49 2.042 -7.777 -10.097 1.00 0.00 C ATOM 751 CD ARG A 49 1.720 -9.265 -9.950 1.00 0.00 C ATOM 752 NE ARG A 49 2.665 -10.061 -10.796 1.00 0.00 N ATOM 753 CZ ARG A 49 2.923 -9.711 -12.030 1.00 0.00 C ATOM 754 NH1 ARG A 49 2.295 -8.704 -12.575 1.00 0.00 N ATOM 755 NH2 ARG A 49 3.795 -10.385 -12.726 1.00 0.00 N ATOM 0 H ARG A 49 1.939 -4.445 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 49 3.807 -5.929 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.531 -7.706 -7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.017 -6.920 -8.388 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.310 -7.305 -10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.017 -7.656 -10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.806 -9.566 -8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.691 -9.458 -10.253 1.00 0.00 H new ATOM 0 HE ARG A 49 3.114 -10.889 -10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.599 -8.186 -12.038 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.500 -8.436 -13.537 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.274 -11.183 -12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.998 -10.115 -13.688 1.00 0.00 H new ATOM 769 N LYS A 50 2.631 -4.897 -11.134 1.00 0.00 N ATOM 770 CA LYS A 50 2.006 -4.144 -12.251 1.00 0.00 C ATOM 771 C LYS A 50 1.657 -2.748 -11.774 1.00 0.00 C ATOM 772 O LYS A 50 0.804 -2.083 -12.328 1.00 0.00 O ATOM 773 CB LYS A 50 0.735 -4.868 -12.712 1.00 0.00 C ATOM 774 CG LYS A 50 1.099 -5.982 -13.703 1.00 0.00 C ATOM 775 CD LYS A 50 1.142 -5.414 -15.124 1.00 0.00 C ATOM 776 CE LYS A 50 1.495 -6.529 -16.110 1.00 0.00 C ATOM 777 NZ LYS A 50 1.506 -5.981 -17.496 1.00 0.00 N ATOM 0 H LYS A 50 3.510 -5.359 -11.366 1.00 0.00 H new ATOM 0 HA LYS A 50 2.702 -4.080 -13.087 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.214 -5.290 -11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.053 -4.160 -13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.067 -6.411 -13.443 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.367 -6.787 -13.645 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.177 -4.978 -15.382 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.879 -4.614 -15.185 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.471 -6.950 -15.866 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.770 -7.340 -16.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.746 -6.739 -18.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.566 -5.600 -17.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.214 -5.222 -17.564 1.00 0.00 H new ATOM 791 N GLY A 51 2.310 -2.298 -10.750 1.00 0.00 N ATOM 792 CA GLY A 51 2.011 -0.941 -10.238 1.00 0.00 C ATOM 793 C GLY A 51 0.796 -1.013 -9.325 1.00 0.00 C ATOM 794 O GLY A 51 0.025 -0.082 -9.220 1.00 0.00 O ATOM 0 H GLY A 51 3.036 -2.808 -10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.869 -0.547 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.819 -0.260 -11.067 1.00 0.00 H new ATOM 798 N LEU A 52 0.623 -2.122 -8.670 1.00 0.00 N ATOM 799 CA LEU A 52 -0.535 -2.285 -7.751 1.00 0.00 C ATOM 800 C LEU A 52 -0.074 -3.031 -6.503 1.00 0.00 C ATOM 801 O LEU A 52 0.758 -3.914 -6.567 1.00 0.00 O ATOM 802 CB LEU A 52 -1.641 -3.081 -8.443 1.00 0.00 C ATOM 803 CG LEU A 52 -2.460 -2.164 -9.350 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.517 -3.004 -10.070 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.141 -1.072 -8.510 1.00 0.00 C ATOM 0 H LEU A 52 1.240 -2.932 -8.732 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.924 -1.305 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.205 -3.890 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.289 -3.541 -7.697 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.808 -1.686 -10.081 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.110 -2.362 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.026 -3.773 -10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.169 -3.476 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.723 -0.421 -9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.801 -1.536 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.382 -0.483 -7.994 1.00 0.00 H new ATOM 817 N ALA A 53 -0.593 -2.669 -5.369 1.00 0.00 N ATOM 818 CA ALA A 53 -0.168 -3.339 -4.112 1.00 0.00 C ATOM 819 C ALA A 53 -0.827 -4.705 -3.974 1.00 0.00 C ATOM 820 O ALA A 53 -1.920 -4.937 -4.450 1.00 0.00 O ATOM 821 CB ALA A 53 -0.581 -2.487 -2.917 1.00 0.00 C ATOM 0 H ALA A 53 -1.294 -1.937 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 53 0.915 -3.462 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.270 -2.978 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.105 -1.509 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.664 -2.364 -2.915 1.00 0.00 H new ATOM 827 N TYR A 54 -0.169 -5.603 -3.299 1.00 0.00 N ATOM 828 CA TYR A 54 -0.742 -6.951 -3.087 1.00 0.00 C ATOM 829 C TYR A 54 -0.162 -7.525 -1.806 1.00 0.00 C ATOM 830 O TYR A 54 1.016 -7.413 -1.556 1.00 0.00 O ATOM 831 CB TYR A 54 -0.376 -7.853 -4.257 1.00 0.00 C ATOM 832 CG TYR A 54 -1.215 -7.481 -5.441 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.542 -7.911 -5.521 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.668 -6.702 -6.458 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.322 -7.553 -6.631 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.439 -6.349 -7.556 1.00 0.00 C ATOM 837 CZ TYR A 54 -2.767 -6.771 -7.648 1.00 0.00 C ATOM 838 OH TYR A 54 -3.530 -6.417 -8.742 1.00 0.00 O ATOM 0 H TYR A 54 0.750 -5.455 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.828 -6.887 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.682 -7.747 -4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.540 -8.898 -3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.965 -8.516 -4.733 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.358 -6.372 -6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.349 -7.881 -6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.011 -5.746 -8.343 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.992 -5.872 -9.354 1.00 0.00 H new ATOM 848 N CYS A 55 -0.958 -8.137 -0.981 1.00 0.00 N ATOM 849 CA CYS A 55 -0.383 -8.696 0.267 1.00 0.00 C ATOM 850 C CYS A 55 0.730 -9.676 -0.114 1.00 0.00 C ATOM 851 O CYS A 55 0.926 -9.987 -1.272 1.00 0.00 O ATOM 852 CB CYS A 55 -1.444 -9.471 1.056 1.00 0.00 C ATOM 853 SG CYS A 55 -2.850 -8.407 1.436 1.00 0.00 S ATOM 0 H CYS A 55 -1.960 -8.273 -1.112 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.007 -7.877 0.880 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.778 -10.333 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.011 -9.855 1.980 1.00 0.00 H new ATOM 858 N GLU A 56 1.444 -10.185 0.849 1.00 0.00 N ATOM 859 CA GLU A 56 2.525 -11.169 0.541 1.00 0.00 C ATOM 860 C GLU A 56 1.922 -12.385 -0.165 1.00 0.00 C ATOM 861 O GLU A 56 2.545 -13.011 -1.000 1.00 0.00 O ATOM 862 CB GLU A 56 3.166 -11.650 1.847 1.00 0.00 C ATOM 863 CG GLU A 56 4.434 -12.454 1.539 1.00 0.00 C ATOM 864 CD GLU A 56 5.293 -12.557 2.800 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.926 -13.315 3.683 1.00 0.00 O ATOM 866 OE2 GLU A 56 6.304 -11.876 2.862 1.00 0.00 O ATOM 0 H GLU A 56 1.328 -9.964 1.838 1.00 0.00 H new ATOM 0 HA GLU A 56 3.270 -10.690 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.411 -10.796 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.460 -12.266 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.168 -13.450 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.998 -11.972 0.741 1.00 0.00 H new ATOM 873 N THR A 57 0.721 -12.744 0.200 1.00 0.00 N ATOM 874 CA THR A 57 0.073 -13.945 -0.402 1.00 0.00 C ATOM 875 C THR A 57 -0.662 -13.601 -1.693 1.00 0.00 C ATOM 876 O THR A 57 -0.574 -14.322 -2.663 1.00 0.00 O ATOM 877 CB THR A 57 -0.919 -14.538 0.601 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.215 -14.996 1.746 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.664 -15.708 -0.045 1.00 0.00 C ATOM 0 H THR A 57 0.157 -12.254 0.894 1.00 0.00 H new ATOM 0 HA THR A 57 0.854 -14.667 -0.640 1.00 0.00 H new ATOM 0 HB THR A 57 -1.637 -13.773 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.849 -15.375 2.390 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.370 -16.129 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.205 -15.355 -0.923 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.949 -16.475 -0.343 1.00 0.00 H new ATOM 887 N HIS A 58 -1.397 -12.529 -1.727 1.00 0.00 N ATOM 888 CA HIS A 58 -2.126 -12.206 -2.970 1.00 0.00 C ATOM 889 C HIS A 58 -1.113 -11.849 -4.042 1.00 0.00 C ATOM 890 O HIS A 58 -1.196 -12.307 -5.162 1.00 0.00 O ATOM 891 CB HIS A 58 -3.102 -11.058 -2.717 1.00 0.00 C ATOM 892 CG HIS A 58 -4.173 -11.544 -1.766 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.712 -10.759 -0.747 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.808 -12.761 -1.666 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.618 -11.512 -0.095 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.715 -12.737 -0.614 1.00 0.00 N ATOM 0 H HIS A 58 -1.521 -11.872 -0.956 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.709 -13.063 -3.306 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.578 -10.201 -2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.549 -10.726 -3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.628 -13.609 -2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.197 -11.165 0.748 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.325 -13.494 -0.305 1.00 0.00 H new ATOM 904 N TYR A 59 -0.123 -11.082 -3.702 1.00 0.00 N ATOM 905 CA TYR A 59 0.913 -10.751 -4.694 1.00 0.00 C ATOM 906 C TYR A 59 1.395 -12.051 -5.282 1.00 0.00 C ATOM 907 O TYR A 59 1.377 -12.273 -6.477 1.00 0.00 O ATOM 908 CB TYR A 59 2.078 -10.091 -3.972 1.00 0.00 C ATOM 909 CG TYR A 59 3.258 -9.962 -4.902 1.00 0.00 C ATOM 910 CD1 TYR A 59 3.057 -9.675 -6.255 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.556 -10.129 -4.408 1.00 0.00 C ATOM 912 CE1 TYR A 59 4.147 -9.553 -7.107 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.652 -10.004 -5.266 1.00 0.00 C ATOM 914 CZ TYR A 59 5.448 -9.715 -6.618 1.00 0.00 C ATOM 915 OH TYR A 59 6.526 -9.593 -7.471 1.00 0.00 O ATOM 0 H TYR A 59 0.009 -10.672 -2.777 1.00 0.00 H new ATOM 0 HA TYR A 59 0.524 -10.086 -5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.781 -9.107 -3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.356 -10.681 -3.099 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.055 -9.548 -6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.711 -10.355 -3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.990 -9.332 -8.152 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.655 -10.130 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 59 7.357 -9.734 -6.971 1.00 0.00 H new ATOM 925 N ASN A 60 1.825 -12.915 -4.424 1.00 0.00 N ATOM 926 CA ASN A 60 2.316 -14.220 -4.886 1.00 0.00 C ATOM 927 C ASN A 60 1.155 -14.999 -5.497 1.00 0.00 C ATOM 928 O ASN A 60 1.274 -15.564 -6.565 1.00 0.00 O ATOM 929 CB ASN A 60 2.911 -15.002 -3.715 1.00 0.00 C ATOM 930 CG ASN A 60 4.303 -14.459 -3.390 1.00 0.00 C ATOM 931 OD1 ASN A 60 5.281 -14.862 -3.990 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.437 -13.554 -2.459 1.00 0.00 N ATOM 0 H ASN A 60 1.857 -12.770 -3.415 1.00 0.00 H new ATOM 0 HA ASN A 60 3.094 -14.073 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.264 -14.918 -2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.972 -16.061 -3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.361 -13.185 -2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.617 -13.215 -1.955 1.00 0.00 H new ATOM 939 N GLN A 61 0.021 -15.015 -4.848 1.00 0.00 N ATOM 940 CA GLN A 61 -1.137 -15.743 -5.443 1.00 0.00 C ATOM 941 C GLN A 61 -1.307 -15.210 -6.855 1.00 0.00 C ATOM 942 O GLN A 61 -1.576 -15.933 -7.793 1.00 0.00 O ATOM 943 CB GLN A 61 -2.414 -15.482 -4.641 1.00 0.00 C ATOM 944 CG GLN A 61 -3.463 -16.541 -4.986 1.00 0.00 C ATOM 945 CD GLN A 61 -4.673 -16.380 -4.065 1.00 0.00 C ATOM 946 OE1 GLN A 61 -5.636 -15.727 -4.416 1.00 0.00 O ATOM 947 NE2 GLN A 61 -4.667 -16.954 -2.893 1.00 0.00 N ATOM 0 H GLN A 61 -0.152 -14.565 -3.949 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.956 -16.818 -5.436 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.196 -15.506 -3.573 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.799 -14.487 -4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.769 -16.439 -6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.038 -17.539 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.859 -17.502 -2.598 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.470 -16.854 -2.272 1.00 0.00 H new ATOM 956 N LEU A 62 -1.119 -13.933 -6.995 1.00 0.00 N ATOM 957 CA LEU A 62 -1.224 -13.294 -8.328 1.00 0.00 C ATOM 958 C LEU A 62 -0.017 -13.706 -9.168 1.00 0.00 C ATOM 959 O LEU A 62 -0.124 -13.964 -10.350 1.00 0.00 O ATOM 960 CB LEU A 62 -1.221 -11.766 -8.156 1.00 0.00 C ATOM 961 CG LEU A 62 -2.654 -11.226 -8.061 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.159 -11.310 -6.621 1.00 0.00 C ATOM 963 CD2 LEU A 62 -2.666 -9.767 -8.508 1.00 0.00 C ATOM 0 H LEU A 62 -0.894 -13.296 -6.231 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.145 -13.606 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.666 -11.498 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.708 -11.302 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.303 -11.824 -8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.177 -10.923 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.148 -12.349 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.513 -10.718 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.681 -9.375 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.010 -9.183 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.316 -9.699 -9.538 1.00 0.00 H new ATOM 975 N PHE A 63 1.134 -13.754 -8.561 1.00 0.00 N ATOM 976 CA PHE A 63 2.364 -14.126 -9.314 1.00 0.00 C ATOM 977 C PHE A 63 3.399 -14.723 -8.361 1.00 0.00 C ATOM 978 O PHE A 63 3.505 -15.924 -8.207 1.00 0.00 O ATOM 979 CB PHE A 63 2.944 -12.863 -9.959 1.00 0.00 C ATOM 980 CG PHE A 63 2.338 -12.667 -11.327 1.00 0.00 C ATOM 981 CD1 PHE A 63 1.115 -12.005 -11.453 1.00 0.00 C ATOM 982 CD2 PHE A 63 2.997 -13.147 -12.464 1.00 0.00 C ATOM 983 CE1 PHE A 63 0.545 -11.821 -12.719 1.00 0.00 C ATOM 984 CE2 PHE A 63 2.429 -12.964 -13.731 1.00 0.00 C ATOM 985 CZ PHE A 63 1.203 -12.300 -13.858 1.00 0.00 C ATOM 0 H PHE A 63 1.277 -13.551 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 63 2.116 -14.863 -10.078 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.739 -11.995 -9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.028 -12.949 -10.039 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.608 -11.635 -10.574 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.943 -13.658 -12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.401 -11.310 -12.816 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.936 -13.335 -14.609 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.765 -12.157 -14.835 1.00 0.00 H new ATOM 995 N GLY A 64 4.168 -13.885 -7.731 1.00 0.00 N ATOM 996 CA GLY A 64 5.213 -14.378 -6.788 1.00 0.00 C ATOM 997 C GLY A 64 6.524 -14.592 -7.544 1.00 0.00 C ATOM 998 O GLY A 64 7.309 -15.458 -7.215 1.00 0.00 O ATOM 0 H GLY A 64 4.120 -12.871 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.359 -13.659 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.890 -15.312 -6.327 1.00 0.00 H new ATOM 1002 N ASP A 65 6.765 -13.807 -8.556 1.00 0.00 N ATOM 1003 CA ASP A 65 8.025 -13.962 -9.338 1.00 0.00 C ATOM 1004 C ASP A 65 8.168 -15.416 -9.792 1.00 0.00 C ATOM 1005 O ASP A 65 9.246 -15.977 -9.781 1.00 0.00 O ATOM 1006 CB ASP A 65 9.219 -13.583 -8.459 1.00 0.00 C ATOM 1007 CG ASP A 65 10.468 -13.437 -9.330 1.00 0.00 C ATOM 1008 OD1 ASP A 65 10.413 -12.685 -10.289 1.00 0.00 O ATOM 1009 OD2 ASP A 65 11.459 -14.080 -9.023 1.00 0.00 O ATOM 0 H ASP A 65 6.144 -13.064 -8.877 1.00 0.00 H new ATOM 0 HA ASP A 65 7.994 -13.310 -10.211 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.017 -12.649 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.381 -14.346 -7.698 1.00 0.00 H new ATOM 1014 N VAL A 66 7.088 -16.031 -10.191 1.00 0.00 N ATOM 1015 CA VAL A 66 7.163 -17.448 -10.646 1.00 0.00 C ATOM 1016 C VAL A 66 5.867 -17.821 -11.368 1.00 0.00 C ATOM 1017 O VAL A 66 4.846 -17.236 -11.049 1.00 0.00 O ATOM 1018 CB VAL A 66 7.355 -18.363 -9.434 1.00 0.00 C ATOM 1019 CG1 VAL A 66 6.194 -18.167 -8.458 1.00 0.00 C ATOM 1020 CG2 VAL A 66 7.388 -19.821 -9.898 1.00 0.00 C ATOM 1021 OXT VAL A 66 5.918 -18.687 -12.226 1.00 0.00 O ATOM 0 H VAL A 66 6.158 -15.614 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 66 8.005 -17.567 -11.328 1.00 0.00 H new ATOM 0 HB VAL A 66 8.293 -18.116 -8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.330 -18.818 -7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.167 -17.128 -8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.256 -18.414 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.525 -20.474 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.449 -20.066 -10.394 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.214 -19.962 -10.595 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.698 7.883 3.196 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.275 -8.854 -0.315 1.00 0.00 ZN