USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=9 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 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.55! K(o=-3.6!,f=-0.2) USER MOD Single : A 23 MET CE :methyl -161:sc= -1.83 (180deg=-3.72!) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.165) USER MOD Single : A 26 GLN : amide:sc= -6.97! K(o=-7!,f=-1.7) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.153 (180deg=-0.879) USER MOD Single : A 44 HIS : no HD1:sc= -3.96! K(o=-4!,f=-1) USER MOD Single : A 46 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-1.4) USER MOD Single : A 47 TYR OH : rot 9:sc= -1.81 USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= -0.187 (180deg=-1.23!) 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= -0.488 USER MOD Single : A 60 ASN : amide:sc= -0.441 K(o=-0.44,f=-5.7!) USER MOD Single : A 61 GLN : amide:sc= -2.99! K(o=-3!,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.377 27.165 4.388 1.00 0.00 N ATOM 2 CA GLY A 1 8.889 27.156 4.481 1.00 0.00 C ATOM 3 C GLY A 1 8.314 26.263 3.380 1.00 0.00 C ATOM 4 O GLY A 1 8.561 25.075 3.340 1.00 0.00 O ATOM 0 H1 GLY A 1 10.768 27.772 5.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.738 26.197 4.504 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.665 27.533 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.577 26.791 5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.502 28.170 4.381 1.00 0.00 H new ATOM 10 N SER A 2 7.547 26.827 2.487 1.00 0.00 N ATOM 11 CA SER A 2 6.955 26.009 1.390 1.00 0.00 C ATOM 12 C SER A 2 6.214 24.813 1.990 1.00 0.00 C ATOM 13 O SER A 2 6.808 23.808 2.327 1.00 0.00 O ATOM 14 CB SER A 2 8.070 25.510 0.470 1.00 0.00 C ATOM 15 OG SER A 2 7.499 25.034 -0.742 1.00 0.00 O ATOM 0 H SER A 2 7.305 27.818 2.469 1.00 0.00 H new ATOM 0 HA SER A 2 6.256 26.618 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.774 26.316 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.632 24.714 0.959 1.00 0.00 H new ATOM 0 HG SER A 2 8.210 24.715 -1.335 1.00 0.00 H new ATOM 21 N MET A 3 4.920 24.913 2.126 1.00 0.00 N ATOM 22 CA MET A 3 4.142 23.782 2.705 1.00 0.00 C ATOM 23 C MET A 3 4.278 22.554 1.801 1.00 0.00 C ATOM 24 O MET A 3 5.344 22.258 1.298 1.00 0.00 O ATOM 25 CB MET A 3 2.666 24.182 2.813 1.00 0.00 C ATOM 26 CG MET A 3 1.967 23.308 3.857 1.00 0.00 C ATOM 27 SD MET A 3 0.183 23.310 3.547 1.00 0.00 S ATOM 28 CE MET A 3 -0.344 23.042 5.257 1.00 0.00 C ATOM 0 H MET A 3 4.368 25.729 1.861 1.00 0.00 H new ATOM 0 HA MET A 3 4.526 23.544 3.697 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.584 25.233 3.091 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.177 24.069 1.845 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.354 22.290 3.813 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.173 23.684 4.859 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.433 23.008 5.301 1.00 0.00 H new ATOM 0 HE2 MET A 3 0.063 22.098 5.620 1.00 0.00 H new ATOM 0 HE3 MET A 3 0.019 23.858 5.882 1.00 0.00 H new ATOM 38 N GLY A 4 3.207 21.838 1.590 1.00 0.00 N ATOM 39 CA GLY A 4 3.272 20.629 0.718 1.00 0.00 C ATOM 40 C GLY A 4 2.344 19.547 1.274 1.00 0.00 C ATOM 41 O GLY A 4 1.273 19.312 0.754 1.00 0.00 O ATOM 0 H GLY A 4 2.288 22.038 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.979 20.886 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.295 20.256 0.671 1.00 0.00 H new ATOM 45 N VAL A 5 2.753 18.890 2.329 1.00 0.00 N ATOM 46 CA VAL A 5 1.905 17.818 2.931 1.00 0.00 C ATOM 47 C VAL A 5 1.596 16.745 1.875 1.00 0.00 C ATOM 48 O VAL A 5 1.145 17.061 0.792 1.00 0.00 O ATOM 49 CB VAL A 5 0.580 18.417 3.434 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.529 17.370 3.346 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.712 18.854 4.894 1.00 0.00 C ATOM 0 H VAL A 5 3.642 19.051 2.801 1.00 0.00 H new ATOM 0 HA VAL A 5 2.445 17.371 3.765 1.00 0.00 H new ATOM 0 HB VAL A 5 0.338 19.279 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.465 17.800 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.648 17.052 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.267 16.510 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.234 19.276 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.968 17.992 5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.496 19.606 4.979 1.00 0.00 H new ATOM 61 N PRO A 6 1.823 15.503 2.226 1.00 0.00 N ATOM 62 CA PRO A 6 1.546 14.380 1.329 1.00 0.00 C ATOM 63 C PRO A 6 0.054 14.156 1.267 1.00 0.00 C ATOM 64 O PRO A 6 -0.691 14.628 2.102 1.00 0.00 O ATOM 65 CB PRO A 6 2.234 13.175 1.976 1.00 0.00 C ATOM 66 CG PRO A 6 2.724 13.623 3.372 1.00 0.00 C ATOM 67 CD PRO A 6 2.382 15.108 3.531 1.00 0.00 C ATOM 0 HA PRO A 6 1.903 14.552 0.314 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.542 12.337 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.071 12.836 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.243 13.034 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.798 13.465 3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.662 15.265 4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.267 15.694 3.777 1.00 0.00 H new ATOM 75 N ILE A 7 -0.387 13.438 0.289 1.00 0.00 N ATOM 76 CA ILE A 7 -1.835 13.176 0.174 1.00 0.00 C ATOM 77 C ILE A 7 -2.054 11.711 -0.155 1.00 0.00 C ATOM 78 O ILE A 7 -1.582 11.196 -1.150 1.00 0.00 O ATOM 79 CB ILE A 7 -2.430 14.084 -0.893 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.588 15.471 -0.276 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.795 13.540 -1.309 1.00 0.00 C ATOM 82 CD1 ILE A 7 -3.037 16.491 -1.316 1.00 0.00 C ATOM 0 H ILE A 7 0.193 13.019 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.336 13.391 1.118 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.789 14.130 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.316 15.430 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.641 15.787 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.227 14.186 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.679 12.533 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.455 13.512 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.141 17.469 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.296 16.548 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.996 16.186 -1.734 1.00 0.00 H new ATOM 94 N CYS A 8 -2.748 11.034 0.707 1.00 0.00 N ATOM 95 CA CYS A 8 -2.992 9.591 0.506 1.00 0.00 C ATOM 96 C CYS A 8 -3.676 9.364 -0.835 1.00 0.00 C ATOM 97 O CYS A 8 -4.774 9.821 -1.078 1.00 0.00 O ATOM 98 CB CYS A 8 -3.859 9.064 1.646 1.00 0.00 C ATOM 99 SG CYS A 8 -4.409 7.382 1.274 1.00 0.00 S ATOM 0 H CYS A 8 -3.161 11.427 1.553 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.043 9.054 0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.294 9.073 2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.722 9.715 1.789 1.00 0.00 H new ATOM 104 N GLY A 9 -3.020 8.659 -1.707 1.00 0.00 N ATOM 105 CA GLY A 9 -3.606 8.391 -3.044 1.00 0.00 C ATOM 106 C GLY A 9 -4.873 7.557 -2.882 1.00 0.00 C ATOM 107 O GLY A 9 -5.549 7.241 -3.840 1.00 0.00 O ATOM 0 H GLY A 9 -2.097 8.254 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.837 9.330 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.887 7.863 -3.670 1.00 0.00 H new ATOM 111 N ALA A 10 -5.197 7.193 -1.672 1.00 0.00 N ATOM 112 CA ALA A 10 -6.419 6.374 -1.445 1.00 0.00 C ATOM 113 C ALA A 10 -7.631 7.294 -1.333 1.00 0.00 C ATOM 114 O ALA A 10 -8.561 7.214 -2.112 1.00 0.00 O ATOM 115 CB ALA A 10 -6.257 5.570 -0.151 1.00 0.00 C ATOM 0 H ALA A 10 -4.668 7.427 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.563 5.689 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.150 4.969 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.390 4.915 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.115 6.253 0.686 1.00 0.00 H new ATOM 121 N CYS A 11 -7.625 8.170 -0.370 1.00 0.00 N ATOM 122 CA CYS A 11 -8.770 9.106 -0.198 1.00 0.00 C ATOM 123 C CYS A 11 -8.401 10.464 -0.793 1.00 0.00 C ATOM 124 O CYS A 11 -9.194 11.384 -0.803 1.00 0.00 O ATOM 125 CB CYS A 11 -9.072 9.266 1.294 1.00 0.00 C ATOM 126 SG CYS A 11 -7.517 9.318 2.217 1.00 0.00 S ATOM 0 H CYS A 11 -6.872 8.279 0.310 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.650 8.711 -0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.641 10.180 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.688 8.437 1.643 1.00 0.00 H new ATOM 131 N ARG A 12 -7.196 10.601 -1.282 1.00 0.00 N ATOM 132 CA ARG A 12 -6.776 11.900 -1.867 1.00 0.00 C ATOM 133 C ARG A 12 -6.881 12.979 -0.793 1.00 0.00 C ATOM 134 O ARG A 12 -7.302 14.090 -1.052 1.00 0.00 O ATOM 135 CB ARG A 12 -7.683 12.256 -3.049 1.00 0.00 C ATOM 136 CG ARG A 12 -7.898 11.018 -3.928 1.00 0.00 C ATOM 137 CD ARG A 12 -6.556 10.337 -4.216 1.00 0.00 C ATOM 138 NE ARG A 12 -5.518 11.361 -4.563 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.726 12.258 -5.490 1.00 0.00 C ATOM 140 NH1 ARG A 12 -6.797 12.205 -6.234 1.00 0.00 N ATOM 141 NH2 ARG A 12 -4.839 13.191 -5.699 1.00 0.00 N ATOM 0 H ARG A 12 -6.488 9.867 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.748 11.829 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.641 12.626 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.234 13.057 -3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.569 10.320 -3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.377 11.306 -4.864 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.236 9.765 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.668 9.630 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.628 11.358 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.479 11.460 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.952 12.909 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.986 13.219 -5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.998 13.893 -6.422 1.00 0.00 H new ATOM 155 N ARG A 13 -6.493 12.658 0.414 1.00 0.00 N ATOM 156 CA ARG A 13 -6.556 13.659 1.517 1.00 0.00 C ATOM 157 C ARG A 13 -5.133 13.911 2.021 1.00 0.00 C ATOM 158 O ARG A 13 -4.303 13.029 1.952 1.00 0.00 O ATOM 159 CB ARG A 13 -7.415 13.110 2.662 1.00 0.00 C ATOM 160 CG ARG A 13 -8.900 13.350 2.360 1.00 0.00 C ATOM 161 CD ARG A 13 -9.303 14.761 2.802 1.00 0.00 C ATOM 162 NE ARG A 13 -9.009 14.932 4.253 1.00 0.00 N ATOM 163 CZ ARG A 13 -8.990 16.126 4.778 1.00 0.00 C ATOM 164 NH1 ARG A 13 -9.231 17.171 4.035 1.00 0.00 N ATOM 165 NH2 ARG A 13 -8.730 16.276 6.049 1.00 0.00 N ATOM 0 H ARG A 13 -6.134 11.742 0.683 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.998 14.588 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.228 12.044 2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.142 13.596 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.087 13.227 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.509 12.610 2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.759 15.505 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.364 14.923 2.614 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.823 14.116 4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.435 17.055 3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.216 18.104 4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.542 15.460 6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.715 17.210 6.460 1.00 0.00 H new ATOM 179 N PRO A 14 -4.881 15.101 2.508 1.00 0.00 N ATOM 180 CA PRO A 14 -3.545 15.460 3.010 1.00 0.00 C ATOM 181 C PRO A 14 -3.132 14.530 4.149 1.00 0.00 C ATOM 182 O PRO A 14 -3.715 14.537 5.215 1.00 0.00 O ATOM 183 CB PRO A 14 -3.682 16.914 3.485 1.00 0.00 C ATOM 184 CG PRO A 14 -5.124 17.377 3.184 1.00 0.00 C ATOM 185 CD PRO A 14 -5.890 16.175 2.606 1.00 0.00 C ATOM 0 HA PRO A 14 -2.771 15.360 2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.472 16.988 4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.962 17.552 2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.607 17.738 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.120 18.205 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.717 15.884 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.316 16.409 1.630 1.00 0.00 H new ATOM 193 N ILE A 15 -2.118 13.731 3.934 1.00 0.00 N ATOM 194 CA ILE A 15 -1.667 12.807 5.016 1.00 0.00 C ATOM 195 C ILE A 15 -1.017 13.641 6.123 1.00 0.00 C ATOM 196 O ILE A 15 -0.602 14.759 5.895 1.00 0.00 O ATOM 197 CB ILE A 15 -0.677 11.779 4.451 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.395 10.900 3.421 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.151 10.892 5.582 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.398 10.423 2.358 1.00 0.00 C ATOM 0 H ILE A 15 -1.588 13.679 3.064 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.516 12.260 5.425 1.00 0.00 H new ATOM 0 HB ILE A 15 0.156 12.302 3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.850 10.042 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.202 11.462 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.551 10.164 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.355 11.510 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.984 10.370 6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.914 9.799 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.037 11.286 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.393 9.845 2.835 1.00 0.00 H new ATOM 212 N GLU A 16 -0.941 13.130 7.324 1.00 0.00 N ATOM 213 CA GLU A 16 -0.336 13.946 8.423 1.00 0.00 C ATOM 214 C GLU A 16 0.132 13.053 9.575 1.00 0.00 C ATOM 215 O GLU A 16 -0.296 13.197 10.703 1.00 0.00 O ATOM 216 CB GLU A 16 -1.374 14.950 8.935 1.00 0.00 C ATOM 217 CG GLU A 16 -2.760 14.298 8.962 1.00 0.00 C ATOM 218 CD GLU A 16 -2.712 13.017 9.797 1.00 0.00 C ATOM 219 OE1 GLU A 16 -2.770 13.122 11.010 1.00 0.00 O ATOM 220 OE2 GLU A 16 -2.619 11.953 9.207 1.00 0.00 O ATOM 0 H GLU A 16 -1.265 12.200 7.591 1.00 0.00 H new ATOM 0 HA GLU A 16 0.532 14.475 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.102 15.289 9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.389 15.830 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.490 14.990 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.085 14.070 7.947 1.00 0.00 H new ATOM 227 N GLY A 17 1.020 12.148 9.298 1.00 0.00 N ATOM 228 CA GLY A 17 1.546 11.247 10.362 1.00 0.00 C ATOM 229 C GLY A 17 2.645 10.398 9.746 1.00 0.00 C ATOM 230 O GLY A 17 3.744 10.856 9.509 1.00 0.00 O ATOM 0 H GLY A 17 1.411 11.989 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.935 11.829 11.198 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.750 10.615 10.756 1.00 0.00 H new ATOM 234 N ARG A 18 2.337 9.175 9.444 1.00 0.00 N ATOM 235 CA ARG A 18 3.332 8.289 8.791 1.00 0.00 C ATOM 236 C ARG A 18 2.842 8.044 7.371 1.00 0.00 C ATOM 237 O ARG A 18 1.739 7.583 7.153 1.00 0.00 O ATOM 238 CB ARG A 18 3.444 6.972 9.552 1.00 0.00 C ATOM 239 CG ARG A 18 4.270 7.184 10.823 1.00 0.00 C ATOM 240 CD ARG A 18 4.643 5.825 11.426 1.00 0.00 C ATOM 241 NE ARG A 18 4.456 5.856 12.911 1.00 0.00 N ATOM 242 CZ ARG A 18 4.867 6.874 13.622 1.00 0.00 C ATOM 243 NH1 ARG A 18 5.529 7.848 13.060 1.00 0.00 N ATOM 244 NH2 ARG A 18 4.637 6.904 14.906 1.00 0.00 N ATOM 0 H ARG A 18 1.429 8.746 9.623 1.00 0.00 H new ATOM 0 HA ARG A 18 4.320 8.749 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.451 6.603 9.808 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.913 6.215 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.172 7.751 10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.701 7.770 11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.024 5.042 10.989 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.678 5.583 11.186 1.00 0.00 H new ATOM 0 HE ARG A 18 4.001 5.071 13.376 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.729 7.819 12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.847 8.639 13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.138 6.135 15.353 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.956 7.697 15.463 1.00 0.00 H new ATOM 258 N VAL A 19 3.632 8.395 6.401 1.00 0.00 N ATOM 259 CA VAL A 19 3.193 8.237 4.986 1.00 0.00 C ATOM 260 C VAL A 19 3.766 6.963 4.374 1.00 0.00 C ATOM 261 O VAL A 19 4.779 6.451 4.805 1.00 0.00 O ATOM 262 CB VAL A 19 3.688 9.439 4.177 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.174 9.349 2.734 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.175 10.734 4.816 1.00 0.00 C ATOM 0 H VAL A 19 4.566 8.786 6.524 1.00 0.00 H new ATOM 0 HA VAL A 19 2.105 8.176 4.964 1.00 0.00 H new ATOM 0 HB VAL A 19 4.778 9.438 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.531 10.208 2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.541 8.432 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.084 9.343 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.528 11.589 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.085 10.728 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.547 10.807 5.838 1.00 0.00 H new ATOM 274 N VAL A 20 3.132 6.474 3.341 1.00 0.00 N ATOM 275 CA VAL A 20 3.634 5.259 2.649 1.00 0.00 C ATOM 276 C VAL A 20 3.905 5.650 1.204 1.00 0.00 C ATOM 277 O VAL A 20 3.006 6.006 0.474 1.00 0.00 O ATOM 278 CB VAL A 20 2.586 4.145 2.698 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.870 3.124 1.589 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.650 3.449 4.057 1.00 0.00 C ATOM 0 H VAL A 20 2.280 6.871 2.946 1.00 0.00 H new ATOM 0 HA VAL A 20 4.538 4.888 3.133 1.00 0.00 H new ATOM 0 HB VAL A 20 1.594 4.573 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.123 2.331 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.827 3.619 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.862 2.695 1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.904 2.655 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.642 3.022 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.449 4.173 4.846 1.00 0.00 H new ATOM 290 N ASN A 21 5.132 5.609 0.785 1.00 0.00 N ATOM 291 CA ASN A 21 5.441 6.005 -0.613 1.00 0.00 C ATOM 292 C ASN A 21 5.358 4.783 -1.522 1.00 0.00 C ATOM 293 O ASN A 21 6.219 3.926 -1.514 1.00 0.00 O ATOM 294 CB ASN A 21 6.844 6.600 -0.673 1.00 0.00 C ATOM 295 CG ASN A 21 6.846 7.973 0.001 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.642 8.828 -0.337 1.00 0.00 O ATOM 297 ND2 ASN A 21 5.983 8.224 0.947 1.00 0.00 N ATOM 0 H ASN A 21 5.933 5.320 1.346 1.00 0.00 H new ATOM 0 HA ASN A 21 4.719 6.749 -0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.553 5.938 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.167 6.692 -1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.976 9.137 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.315 7.507 1.231 1.00 0.00 H new ATOM 304 N ALA A 22 4.323 4.701 -2.307 1.00 0.00 N ATOM 305 CA ALA A 22 4.167 3.542 -3.225 1.00 0.00 C ATOM 306 C ALA A 22 3.519 4.025 -4.518 1.00 0.00 C ATOM 307 O ALA A 22 2.909 5.075 -4.556 1.00 0.00 O ATOM 308 CB ALA A 22 3.273 2.492 -2.569 1.00 0.00 C ATOM 0 H ALA A 22 3.574 5.392 -2.352 1.00 0.00 H new ATOM 0 HA ALA A 22 5.141 3.102 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.158 1.641 -3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.728 2.159 -1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.295 2.926 -2.361 1.00 0.00 H new ATOM 314 N MET A 23 3.648 3.282 -5.582 1.00 0.00 N ATOM 315 CA MET A 23 3.038 3.728 -6.861 1.00 0.00 C ATOM 316 C MET A 23 3.607 5.093 -7.198 1.00 0.00 C ATOM 317 O MET A 23 3.076 5.833 -8.002 1.00 0.00 O ATOM 318 CB MET A 23 1.523 3.842 -6.698 1.00 0.00 C ATOM 319 CG MET A 23 0.980 2.606 -5.978 1.00 0.00 C ATOM 320 SD MET A 23 1.056 1.188 -7.098 1.00 0.00 S ATOM 321 CE MET A 23 1.298 -0.099 -5.850 1.00 0.00 C ATOM 0 H MET A 23 4.146 2.392 -5.620 1.00 0.00 H new ATOM 0 HA MET A 23 3.257 3.012 -7.653 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.276 4.740 -6.132 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.050 3.941 -7.675 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.564 2.407 -5.079 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.048 2.778 -5.658 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.702 -0.994 -6.324 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.996 0.256 -5.092 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.343 -0.336 -5.382 1.00 0.00 H new ATOM 331 N GLY A 24 4.679 5.429 -6.560 1.00 0.00 N ATOM 332 CA GLY A 24 5.306 6.755 -6.795 1.00 0.00 C ATOM 333 C GLY A 24 4.399 7.821 -6.185 1.00 0.00 C ATOM 334 O GLY A 24 4.424 8.975 -6.565 1.00 0.00 O ATOM 0 H GLY A 24 5.157 4.840 -5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.297 6.793 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.436 6.931 -7.863 1.00 0.00 H new ATOM 338 N LYS A 25 3.587 7.419 -5.247 1.00 0.00 N ATOM 339 CA LYS A 25 2.641 8.366 -4.591 1.00 0.00 C ATOM 340 C LYS A 25 2.831 8.319 -3.076 1.00 0.00 C ATOM 341 O LYS A 25 3.881 7.976 -2.575 1.00 0.00 O ATOM 342 CB LYS A 25 1.206 7.942 -4.932 1.00 0.00 C ATOM 343 CG LYS A 25 0.961 8.074 -6.444 1.00 0.00 C ATOM 344 CD LYS A 25 -0.255 8.971 -6.696 1.00 0.00 C ATOM 345 CE LYS A 25 -0.598 8.962 -8.186 1.00 0.00 C ATOM 346 NZ LYS A 25 0.487 9.640 -8.950 1.00 0.00 N ATOM 0 H LYS A 25 3.538 6.460 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 25 2.830 9.379 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.038 6.912 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.496 8.562 -4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.842 8.495 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.796 7.090 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.107 8.618 -6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.044 9.988 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.718 7.937 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.548 9.470 -8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.168 9.816 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.720 10.545 -8.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.331 9.033 -8.967 1.00 0.00 H new ATOM 360 N GLN A 26 1.806 8.661 -2.354 1.00 0.00 N ATOM 361 CA GLN A 26 1.856 8.651 -0.871 1.00 0.00 C ATOM 362 C GLN A 26 0.548 8.019 -0.393 1.00 0.00 C ATOM 363 O GLN A 26 -0.485 8.212 -1.003 1.00 0.00 O ATOM 364 CB GLN A 26 1.964 10.095 -0.381 1.00 0.00 C ATOM 365 CG GLN A 26 3.417 10.579 -0.559 1.00 0.00 C ATOM 366 CD GLN A 26 3.450 12.049 -0.999 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.507 12.592 -1.249 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.337 12.720 -1.106 1.00 0.00 N ATOM 0 H GLN A 26 0.910 8.955 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 26 2.709 8.090 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.283 10.735 -0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.671 10.160 0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.962 10.463 0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.923 9.961 -1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.447 12.268 -0.897 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.357 13.697 -1.399 1.00 0.00 H new ATOM 377 N TRP A 27 0.565 7.239 0.655 1.00 0.00 N ATOM 378 CA TRP A 27 -0.705 6.589 1.090 1.00 0.00 C ATOM 379 C TRP A 27 -0.792 6.555 2.613 1.00 0.00 C ATOM 380 O TRP A 27 0.182 6.285 3.287 1.00 0.00 O ATOM 381 CB TRP A 27 -0.717 5.156 0.553 1.00 0.00 C ATOM 382 CG TRP A 27 -0.514 5.174 -0.928 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.686 5.232 -1.555 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.518 5.127 -1.975 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.474 5.232 -2.923 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.870 5.170 -3.230 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.915 5.057 -1.949 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.593 5.143 -4.423 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.647 5.031 -3.142 1.00 0.00 C ATOM 390 CH2 TRP A 27 -2.989 5.074 -4.378 1.00 0.00 C ATOM 0 H TRP A 27 1.387 7.026 1.220 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.555 7.154 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.069 4.571 1.031 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.664 4.674 0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.649 5.272 -1.068 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.219 5.273 -3.618 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.432 5.023 -1.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.079 5.175 -5.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.725 4.977 -3.109 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.559 5.054 -5.295 1.00 0.00 H new ATOM 401 N HIS A 28 -1.955 6.785 3.171 1.00 0.00 N ATOM 402 CA HIS A 28 -2.055 6.707 4.654 1.00 0.00 C ATOM 403 C HIS A 28 -1.570 5.314 5.041 1.00 0.00 C ATOM 404 O HIS A 28 -1.864 4.342 4.375 1.00 0.00 O ATOM 405 CB HIS A 28 -3.505 6.882 5.121 1.00 0.00 C ATOM 406 CG HIS A 28 -3.870 8.340 5.160 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.836 8.875 4.328 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.424 9.378 5.937 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.942 10.185 4.616 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.102 10.544 5.591 1.00 0.00 N ATOM 0 H HIS A 28 -2.816 7.017 2.676 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.463 7.496 5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.177 6.350 4.448 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.631 6.442 6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.664 9.303 6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.622 10.862 4.121 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.983 11.473 5.995 1.00 0.00 H new ATOM 418 N VAL A 29 -0.825 5.198 6.090 1.00 0.00 N ATOM 419 CA VAL A 29 -0.322 3.862 6.485 1.00 0.00 C ATOM 420 C VAL A 29 -1.507 2.919 6.702 1.00 0.00 C ATOM 421 O VAL A 29 -1.365 1.713 6.677 1.00 0.00 O ATOM 422 CB VAL A 29 0.486 4.007 7.772 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.592 2.655 8.478 1.00 0.00 C ATOM 424 CG2 VAL A 29 1.883 4.519 7.423 1.00 0.00 C ATOM 0 H VAL A 29 -0.540 5.969 6.694 1.00 0.00 H new ATOM 0 HA VAL A 29 0.315 3.448 5.703 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.011 4.712 8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.170 2.768 9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.407 2.292 8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.088 1.940 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.470 4.627 8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.375 3.810 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.803 5.486 6.927 1.00 0.00 H new ATOM 434 N GLU A 30 -2.671 3.463 6.922 1.00 0.00 N ATOM 435 CA GLU A 30 -3.866 2.606 7.150 1.00 0.00 C ATOM 436 C GLU A 30 -4.649 2.413 5.846 1.00 0.00 C ATOM 437 O GLU A 30 -5.473 1.526 5.743 1.00 0.00 O ATOM 438 CB GLU A 30 -4.772 3.266 8.192 1.00 0.00 C ATOM 439 CG GLU A 30 -4.949 4.748 7.851 1.00 0.00 C ATOM 440 CD GLU A 30 -6.108 5.325 8.666 1.00 0.00 C ATOM 441 OE1 GLU A 30 -7.215 4.833 8.515 1.00 0.00 O ATOM 442 OE2 GLU A 30 -5.869 6.247 9.428 1.00 0.00 O ATOM 0 H GLU A 30 -2.846 4.467 6.954 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.534 1.631 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.742 2.769 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.338 3.160 9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.031 5.294 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.146 4.866 6.785 1.00 0.00 H new ATOM 449 N HIS A 31 -4.413 3.231 4.848 1.00 0.00 N ATOM 450 CA HIS A 31 -5.167 3.071 3.563 1.00 0.00 C ATOM 451 C HIS A 31 -4.297 2.368 2.525 1.00 0.00 C ATOM 452 O HIS A 31 -4.775 1.963 1.484 1.00 0.00 O ATOM 453 CB HIS A 31 -5.601 4.441 3.029 1.00 0.00 C ATOM 454 CG HIS A 31 -6.558 5.076 4.005 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.772 6.451 4.070 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.378 4.528 4.963 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.686 6.670 5.033 1.00 0.00 C ATOM 458 NE2 HIS A 31 -8.086 5.535 5.607 1.00 0.00 N ATOM 0 H HIS A 31 -3.738 3.995 4.866 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.053 2.466 3.755 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.730 5.081 2.887 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.077 4.330 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.459 3.474 5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.052 7.648 5.308 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.767 5.429 6.359 1.00 0.00 H new ATOM 466 N PHE A 32 -3.037 2.180 2.798 1.00 0.00 N ATOM 467 CA PHE A 32 -2.191 1.461 1.813 1.00 0.00 C ATOM 468 C PHE A 32 -2.458 -0.019 2.001 1.00 0.00 C ATOM 469 O PHE A 32 -2.048 -0.617 2.976 1.00 0.00 O ATOM 470 CB PHE A 32 -0.706 1.749 2.029 1.00 0.00 C ATOM 471 CG PHE A 32 0.053 1.252 0.820 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.220 1.788 -0.446 1.00 0.00 C ATOM 473 CD2 PHE A 32 1.012 0.241 0.956 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.464 1.317 -1.570 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.694 -0.232 -0.171 1.00 0.00 C ATOM 476 CZ PHE A 32 1.420 0.306 -1.433 1.00 0.00 C ATOM 0 H PHE A 32 -2.564 2.488 3.647 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.436 1.791 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.542 2.818 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.350 1.252 2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.961 2.567 -0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.225 -0.174 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.254 1.734 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.432 -1.013 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.947 -0.060 -2.302 1.00 0.00 H new ATOM 486 N VAL A 33 -3.195 -0.602 1.105 1.00 0.00 N ATOM 487 CA VAL A 33 -3.557 -2.032 1.255 1.00 0.00 C ATOM 488 C VAL A 33 -3.286 -2.812 -0.021 1.00 0.00 C ATOM 489 O VAL A 33 -2.887 -2.279 -1.038 1.00 0.00 O ATOM 490 CB VAL A 33 -5.053 -2.120 1.549 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.401 -1.306 2.803 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.824 -1.565 0.346 1.00 0.00 C ATOM 0 H VAL A 33 -3.564 -0.147 0.270 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.957 -2.456 2.060 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.327 -3.160 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.471 -1.379 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.848 -1.698 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.131 -0.262 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.895 -1.622 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.540 -0.526 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.586 -2.152 -0.541 1.00 0.00 H new ATOM 502 N CYS A 34 -3.536 -4.083 0.046 1.00 0.00 N ATOM 503 CA CYS A 34 -3.348 -4.969 -1.126 1.00 0.00 C ATOM 504 C CYS A 34 -4.363 -4.609 -2.211 1.00 0.00 C ATOM 505 O CYS A 34 -5.464 -4.180 -1.929 1.00 0.00 O ATOM 506 CB CYS A 34 -3.571 -6.406 -0.668 1.00 0.00 C ATOM 507 SG CYS A 34 -3.988 -7.465 -2.076 1.00 0.00 S ATOM 0 H CYS A 34 -3.871 -4.556 0.885 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.344 -4.852 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.673 -6.781 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.374 -6.438 0.069 1.00 0.00 H new ATOM 512 N ALA A 35 -4.001 -4.784 -3.450 1.00 0.00 N ATOM 513 CA ALA A 35 -4.939 -4.459 -4.557 1.00 0.00 C ATOM 514 C ALA A 35 -5.747 -5.710 -4.918 1.00 0.00 C ATOM 515 O ALA A 35 -6.140 -5.904 -6.051 1.00 0.00 O ATOM 516 CB ALA A 35 -4.125 -3.996 -5.763 1.00 0.00 C ATOM 0 H ALA A 35 -3.091 -5.140 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.626 -3.669 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.798 -3.753 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.547 -3.112 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.447 -4.792 -6.072 1.00 0.00 H new ATOM 522 N LYS A 36 -5.988 -6.562 -3.956 1.00 0.00 N ATOM 523 CA LYS A 36 -6.764 -7.815 -4.225 1.00 0.00 C ATOM 524 C LYS A 36 -7.728 -8.096 -3.069 1.00 0.00 C ATOM 525 O LYS A 36 -8.778 -8.678 -3.256 1.00 0.00 O ATOM 526 CB LYS A 36 -5.794 -8.993 -4.350 1.00 0.00 C ATOM 527 CG LYS A 36 -6.521 -10.218 -4.915 1.00 0.00 C ATOM 528 CD LYS A 36 -6.819 -10.018 -6.414 1.00 0.00 C ATOM 529 CE LYS A 36 -8.332 -10.013 -6.649 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.612 -9.672 -8.072 1.00 0.00 N ATOM 0 H LYS A 36 -5.680 -6.446 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.329 -7.689 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.963 -8.722 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.370 -9.230 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.910 -11.109 -4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.451 -10.381 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.386 -9.079 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.355 -10.815 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.751 -10.990 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.811 -9.289 -5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.640 -9.668 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.225 -8.731 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.167 -10.378 -8.692 1.00 0.00 H new ATOM 544 N CYS A 37 -7.368 -7.710 -1.874 1.00 0.00 N ATOM 545 CA CYS A 37 -8.252 -7.979 -0.698 1.00 0.00 C ATOM 546 C CYS A 37 -8.436 -6.705 0.126 1.00 0.00 C ATOM 547 O CYS A 37 -9.353 -6.596 0.914 1.00 0.00 O ATOM 548 CB CYS A 37 -7.593 -9.047 0.171 1.00 0.00 C ATOM 549 SG CYS A 37 -6.045 -8.389 0.830 1.00 0.00 S ATOM 0 H CYS A 37 -6.500 -7.220 -1.659 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.228 -8.318 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.258 -9.334 0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.402 -9.945 -0.416 1.00 0.00 H new ATOM 554 N GLU A 38 -7.572 -5.744 -0.047 1.00 0.00 N ATOM 555 CA GLU A 38 -7.686 -4.475 0.717 1.00 0.00 C ATOM 556 C GLU A 38 -7.251 -4.688 2.167 1.00 0.00 C ATOM 557 O GLU A 38 -7.890 -4.224 3.091 1.00 0.00 O ATOM 558 CB GLU A 38 -9.127 -3.949 0.676 1.00 0.00 C ATOM 559 CG GLU A 38 -9.717 -4.147 -0.727 1.00 0.00 C ATOM 560 CD GLU A 38 -10.756 -3.058 -1.006 1.00 0.00 C ATOM 561 OE1 GLU A 38 -10.357 -1.970 -1.388 1.00 0.00 O ATOM 562 OE2 GLU A 38 -11.932 -3.331 -0.834 1.00 0.00 O ATOM 0 H GLU A 38 -6.784 -5.786 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.031 -3.737 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.736 -4.473 1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.145 -2.892 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.925 -4.108 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.178 -5.132 -0.803 1.00 0.00 H new ATOM 569 N LYS A 39 -6.146 -5.354 2.371 1.00 0.00 N ATOM 570 CA LYS A 39 -5.640 -5.563 3.757 1.00 0.00 C ATOM 571 C LYS A 39 -4.504 -4.553 3.990 1.00 0.00 C ATOM 572 O LYS A 39 -3.475 -4.646 3.349 1.00 0.00 O ATOM 573 CB LYS A 39 -5.104 -6.989 3.902 1.00 0.00 C ATOM 574 CG LYS A 39 -5.029 -7.368 5.389 1.00 0.00 C ATOM 575 CD LYS A 39 -3.630 -7.064 5.936 1.00 0.00 C ATOM 576 CE LYS A 39 -3.559 -7.473 7.409 1.00 0.00 C ATOM 577 NZ LYS A 39 -4.687 -6.848 8.154 1.00 0.00 N ATOM 0 H LYS A 39 -5.571 -5.763 1.635 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.438 -5.419 4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.752 -7.687 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.116 -7.064 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.778 -6.812 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.256 -8.427 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.878 -7.604 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.410 -6.002 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.607 -8.558 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.608 -7.160 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.473 -6.848 9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.818 -5.869 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.558 -7.390 7.983 1.00 0.00 H new ATOM 591 N PRO A 40 -4.722 -3.592 4.858 1.00 0.00 N ATOM 592 CA PRO A 40 -3.719 -2.545 5.117 1.00 0.00 C ATOM 593 C PRO A 40 -2.529 -3.095 5.891 1.00 0.00 C ATOM 594 O PRO A 40 -2.671 -3.820 6.856 1.00 0.00 O ATOM 595 CB PRO A 40 -4.456 -1.492 5.951 1.00 0.00 C ATOM 596 CG PRO A 40 -5.779 -2.137 6.427 1.00 0.00 C ATOM 597 CD PRO A 40 -5.960 -3.457 5.650 1.00 0.00 C ATOM 0 HA PRO A 40 -3.317 -2.138 4.189 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.850 -1.181 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.654 -0.599 5.358 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.749 -2.325 7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.619 -1.467 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.092 -4.301 6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.840 -3.422 5.008 1.00 0.00 H new ATOM 605 N PHE A 41 -1.357 -2.726 5.476 1.00 0.00 N ATOM 606 CA PHE A 41 -0.129 -3.192 6.188 1.00 0.00 C ATOM 607 C PHE A 41 0.261 -2.146 7.228 1.00 0.00 C ATOM 608 O PHE A 41 1.365 -1.639 7.233 1.00 0.00 O ATOM 609 CB PHE A 41 1.020 -3.369 5.198 1.00 0.00 C ATOM 610 CG PHE A 41 0.463 -3.739 3.849 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.016 -2.746 2.987 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.427 -5.080 3.462 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.528 -3.099 1.732 1.00 0.00 C ATOM 614 CE2 PHE A 41 -0.085 -5.432 2.213 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.562 -4.446 1.346 1.00 0.00 C ATOM 0 H PHE A 41 -1.189 -2.120 4.673 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.331 -4.149 6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.598 -2.447 5.125 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.701 -4.145 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.009 -1.709 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.796 -5.845 4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.896 -2.335 1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.113 -6.470 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.957 -4.721 0.379 1.00 0.00 H new ATOM 625 N LEU A 42 -0.641 -1.817 8.102 1.00 0.00 N ATOM 626 CA LEU A 42 -0.338 -0.799 9.145 1.00 0.00 C ATOM 627 C LEU A 42 1.080 -1.007 9.673 1.00 0.00 C ATOM 628 O LEU A 42 1.901 -0.112 9.651 1.00 0.00 O ATOM 629 CB LEU A 42 -1.333 -0.955 10.299 1.00 0.00 C ATOM 630 CG LEU A 42 -2.664 -0.267 9.942 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.633 -1.292 9.358 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.297 0.348 11.188 1.00 0.00 C ATOM 0 H LEU A 42 -1.581 -2.210 8.142 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.419 0.199 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.504 -2.012 10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.920 -0.518 11.208 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.461 0.517 9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.573 -0.802 9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.201 -1.730 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.818 -2.077 10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.237 0.830 10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.488 -0.434 11.923 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.619 1.088 11.613 1.00 0.00 H new ATOM 644 N GLY A 43 1.367 -2.184 10.148 1.00 0.00 N ATOM 645 CA GLY A 43 2.730 -2.469 10.686 1.00 0.00 C ATOM 646 C GLY A 43 3.297 -3.733 10.037 1.00 0.00 C ATOM 647 O GLY A 43 4.157 -4.386 10.592 1.00 0.00 O ATOM 0 H GLY A 43 0.715 -2.967 10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.390 -1.624 10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.684 -2.596 11.768 1.00 0.00 H new ATOM 651 N HIS A 44 2.827 -4.083 8.867 1.00 0.00 N ATOM 652 CA HIS A 44 3.353 -5.313 8.191 1.00 0.00 C ATOM 653 C HIS A 44 4.067 -4.928 6.896 1.00 0.00 C ATOM 654 O HIS A 44 4.401 -3.781 6.671 1.00 0.00 O ATOM 655 CB HIS A 44 2.199 -6.270 7.872 1.00 0.00 C ATOM 656 CG HIS A 44 1.146 -6.152 8.934 1.00 0.00 C ATOM 657 ND1 HIS A 44 0.776 -7.217 9.739 1.00 0.00 N ATOM 658 CD2 HIS A 44 0.374 -5.094 9.332 1.00 0.00 C ATOM 659 CE1 HIS A 44 -0.183 -6.778 10.575 1.00 0.00 C ATOM 660 NE2 HIS A 44 -0.467 -5.489 10.369 1.00 0.00 N ATOM 0 H HIS A 44 2.107 -3.576 8.352 1.00 0.00 H new ATOM 0 HA HIS A 44 4.057 -5.809 8.860 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.775 -6.034 6.896 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.566 -7.295 7.820 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.412 -4.102 8.906 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.664 -7.393 11.321 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.152 -4.918 10.864 1.00 0.00 H new ATOM 668 N ARG A 45 4.304 -5.889 6.047 1.00 0.00 N ATOM 669 CA ARG A 45 5.000 -5.608 4.755 1.00 0.00 C ATOM 670 C ARG A 45 3.998 -5.703 3.607 1.00 0.00 C ATOM 671 O ARG A 45 3.010 -6.406 3.690 1.00 0.00 O ATOM 672 CB ARG A 45 6.120 -6.637 4.527 1.00 0.00 C ATOM 673 CG ARG A 45 5.872 -7.878 5.389 1.00 0.00 C ATOM 674 CD ARG A 45 6.926 -8.955 5.072 1.00 0.00 C ATOM 675 NE ARG A 45 7.615 -9.399 6.329 1.00 0.00 N ATOM 676 CZ ARG A 45 8.103 -8.535 7.182 1.00 0.00 C ATOM 677 NH1 ARG A 45 8.066 -7.258 6.921 1.00 0.00 N ATOM 678 NH2 ARG A 45 8.649 -8.955 8.289 1.00 0.00 N ATOM 0 H ARG A 45 4.044 -6.865 6.192 1.00 0.00 H new ATOM 0 HA ARG A 45 5.429 -4.607 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.160 -6.917 3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.086 -6.197 4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.917 -7.613 6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.872 -8.269 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.449 -9.809 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.659 -8.560 4.368 1.00 0.00 H new ATOM 0 HE ARG A 45 7.705 -10.396 6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.655 -6.928 6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.448 -6.589 7.590 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.695 -9.954 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.030 -8.284 8.956 1.00 0.00 H new ATOM 692 N HIS A 46 4.258 -5.017 2.530 1.00 0.00 N ATOM 693 CA HIS A 46 3.337 -5.076 1.359 1.00 0.00 C ATOM 694 C HIS A 46 4.092 -5.610 0.154 1.00 0.00 C ATOM 695 O HIS A 46 5.292 -5.797 0.184 1.00 0.00 O ATOM 696 CB HIS A 46 2.804 -3.688 1.028 1.00 0.00 C ATOM 697 CG HIS A 46 3.929 -2.692 1.095 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.338 -2.114 2.285 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.742 -2.166 0.121 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.356 -1.281 2.001 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.642 -1.274 0.696 1.00 0.00 N ATOM 0 H HIS A 46 5.072 -4.415 2.409 1.00 0.00 H new ATOM 0 HA HIS A 46 2.501 -5.731 1.605 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.360 -3.685 0.033 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.017 -3.412 1.729 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.691 -2.408 -0.930 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.878 -0.690 2.739 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.365 -0.731 0.223 1.00 0.00 H new ATOM 709 N TYR A 47 3.385 -5.877 -0.902 1.00 0.00 N ATOM 710 CA TYR A 47 4.030 -6.425 -2.120 1.00 0.00 C ATOM 711 C TYR A 47 3.424 -5.736 -3.350 1.00 0.00 C ATOM 712 O TYR A 47 2.226 -5.567 -3.449 1.00 0.00 O ATOM 713 CB TYR A 47 3.780 -7.930 -2.108 1.00 0.00 C ATOM 714 CG TYR A 47 3.999 -8.413 -0.686 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.027 -8.165 0.295 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.186 -9.067 -0.333 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.238 -8.571 1.615 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.395 -9.466 0.993 1.00 0.00 C ATOM 719 CZ TYR A 47 4.423 -9.218 1.963 1.00 0.00 C ATOM 720 OH TYR A 47 4.636 -9.610 3.268 1.00 0.00 O ATOM 0 H TYR A 47 2.377 -5.737 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 47 5.104 -6.243 -2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.765 -8.154 -2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.457 -8.437 -2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.111 -7.658 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.939 -9.263 -1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.484 -8.384 2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.312 -9.967 1.266 1.00 0.00 H new ATOM 0 HH TYR A 47 3.812 -9.491 3.784 1.00 0.00 H new ATOM 730 N GLU A 48 4.253 -5.285 -4.260 1.00 0.00 N ATOM 731 CA GLU A 48 3.736 -4.543 -5.456 1.00 0.00 C ATOM 732 C GLU A 48 3.731 -5.411 -6.713 1.00 0.00 C ATOM 733 O GLU A 48 4.583 -6.254 -6.914 1.00 0.00 O ATOM 734 CB GLU A 48 4.634 -3.325 -5.703 1.00 0.00 C ATOM 735 CG GLU A 48 4.270 -2.210 -4.722 1.00 0.00 C ATOM 736 CD GLU A 48 5.413 -1.194 -4.654 1.00 0.00 C ATOM 737 OE1 GLU A 48 6.533 -1.607 -4.406 1.00 0.00 O ATOM 738 OE2 GLU A 48 5.148 -0.020 -4.853 1.00 0.00 O ATOM 0 H GLU A 48 5.266 -5.398 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 48 2.708 -4.245 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.681 -3.602 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.514 -2.974 -6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.351 -1.718 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.082 -2.628 -3.733 1.00 0.00 H new ATOM 745 N ARG A 49 2.775 -5.173 -7.573 1.00 0.00 N ATOM 746 CA ARG A 49 2.693 -5.939 -8.850 1.00 0.00 C ATOM 747 C ARG A 49 1.955 -5.103 -9.899 1.00 0.00 C ATOM 748 O ARG A 49 0.820 -4.721 -9.710 1.00 0.00 O ATOM 749 CB ARG A 49 1.934 -7.252 -8.636 1.00 0.00 C ATOM 750 CG ARG A 49 2.103 -8.159 -9.871 1.00 0.00 C ATOM 751 CD ARG A 49 0.858 -8.066 -10.755 1.00 0.00 C ATOM 752 NE ARG A 49 0.978 -8.996 -11.925 1.00 0.00 N ATOM 753 CZ ARG A 49 2.079 -9.075 -12.635 1.00 0.00 C ATOM 754 NH1 ARG A 49 3.071 -8.257 -12.428 1.00 0.00 N ATOM 755 NH2 ARG A 49 2.166 -9.957 -13.593 1.00 0.00 N ATOM 0 H ARG A 49 2.042 -4.475 -7.443 1.00 0.00 H new ATOM 0 HA ARG A 49 3.704 -6.161 -9.191 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.309 -7.759 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.877 -7.048 -8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.985 -7.859 -10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.261 -9.191 -9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.029 -8.316 -10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.730 -7.043 -11.107 1.00 0.00 H new ATOM 0 HE ARG A 49 0.183 -9.583 -12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.999 -7.541 -11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.920 -8.332 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.381 -10.579 -13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.019 -10.024 -14.149 1.00 0.00 H new ATOM 769 N LYS A 50 2.596 -4.820 -11.002 1.00 0.00 N ATOM 770 CA LYS A 50 1.947 -4.017 -12.078 1.00 0.00 C ATOM 771 C LYS A 50 1.614 -2.629 -11.558 1.00 0.00 C ATOM 772 O LYS A 50 0.673 -2.001 -12.002 1.00 0.00 O ATOM 773 CB LYS A 50 0.660 -4.704 -12.550 1.00 0.00 C ATOM 774 CG LYS A 50 1.015 -5.952 -13.365 1.00 0.00 C ATOM 775 CD LYS A 50 1.235 -5.565 -14.835 1.00 0.00 C ATOM 776 CE LYS A 50 -0.053 -5.798 -15.630 1.00 0.00 C ATOM 777 NZ LYS A 50 -0.406 -7.245 -15.590 1.00 0.00 N ATOM 0 H LYS A 50 3.551 -5.114 -11.205 1.00 0.00 H new ATOM 0 HA LYS A 50 2.638 -3.936 -12.917 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.047 -4.979 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.070 -4.017 -13.156 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.915 -6.417 -12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.215 -6.688 -13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.532 -4.519 -14.905 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.047 -6.156 -15.259 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.864 -5.203 -15.211 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.080 -5.473 -16.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.865 -7.515 -16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.458 -7.810 -15.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.058 -7.422 -14.799 1.00 0.00 H new ATOM 791 N GLY A 51 2.369 -2.139 -10.624 1.00 0.00 N ATOM 792 CA GLY A 51 2.068 -0.787 -10.096 1.00 0.00 C ATOM 793 C GLY A 51 0.842 -0.883 -9.205 1.00 0.00 C ATOM 794 O GLY A 51 0.051 0.033 -9.102 1.00 0.00 O ATOM 0 H GLY A 51 3.173 -2.609 -10.207 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.918 -0.402 -9.532 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.888 -0.091 -10.915 1.00 0.00 H new ATOM 798 N LEU A 52 0.681 -2.003 -8.570 1.00 0.00 N ATOM 799 CA LEU A 52 -0.485 -2.203 -7.673 1.00 0.00 C ATOM 800 C LEU A 52 -0.030 -2.985 -6.452 1.00 0.00 C ATOM 801 O LEU A 52 0.790 -3.877 -6.543 1.00 0.00 O ATOM 802 CB LEU A 52 -1.570 -2.985 -8.407 1.00 0.00 C ATOM 803 CG LEU A 52 -2.356 -2.047 -9.314 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.342 -2.874 -10.141 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.106 -1.013 -8.460 1.00 0.00 C ATOM 0 H LEU A 52 1.315 -2.799 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.889 -1.238 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.120 -3.784 -8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.240 -3.458 -7.689 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.679 -1.517 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.912 -2.214 -10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.794 -3.598 -10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.024 -3.401 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.668 -0.343 -9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.793 -1.526 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.390 -0.436 -7.876 1.00 0.00 H new ATOM 817 N ALA A 53 -0.536 -2.647 -5.307 1.00 0.00 N ATOM 818 CA ALA A 53 -0.108 -3.362 -4.079 1.00 0.00 C ATOM 819 C ALA A 53 -0.789 -4.720 -3.983 1.00 0.00 C ATOM 820 O ALA A 53 -1.875 -4.928 -4.484 1.00 0.00 O ATOM 821 CB ALA A 53 -0.492 -2.543 -2.850 1.00 0.00 C ATOM 0 H ALA A 53 -1.226 -1.909 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 53 0.972 -3.500 -4.124 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.177 -3.069 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.001 -1.571 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.573 -2.403 -2.829 1.00 0.00 H new ATOM 827 N TYR A 54 -0.158 -5.639 -3.313 1.00 0.00 N ATOM 828 CA TYR A 54 -0.750 -6.982 -3.139 1.00 0.00 C ATOM 829 C TYR A 54 -0.198 -7.585 -1.865 1.00 0.00 C ATOM 830 O TYR A 54 0.962 -7.435 -1.567 1.00 0.00 O ATOM 831 CB TYR A 54 -0.373 -7.873 -4.311 1.00 0.00 C ATOM 832 CG TYR A 54 -1.207 -7.497 -5.494 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.515 -7.963 -5.596 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.672 -6.675 -6.482 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.299 -7.600 -6.700 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.444 -6.314 -7.578 1.00 0.00 C ATOM 837 CZ TYR A 54 -2.761 -6.773 -7.692 1.00 0.00 C ATOM 838 OH TYR A 54 -3.526 -6.413 -8.783 1.00 0.00 O ATOM 0 H TYR A 54 0.754 -5.511 -2.875 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.836 -6.901 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.686 -7.760 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.533 -8.920 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.924 -8.602 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.344 -6.318 -6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.315 -7.957 -6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.027 -5.677 -8.344 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.000 -5.835 -9.375 1.00 0.00 H new ATOM 848 N CYS A 55 -1.000 -8.264 -1.104 1.00 0.00 N ATOM 849 CA CYS A 55 -0.459 -8.856 0.141 1.00 0.00 C ATOM 850 C CYS A 55 0.664 -9.830 -0.225 1.00 0.00 C ATOM 851 O CYS A 55 0.923 -10.090 -1.383 1.00 0.00 O ATOM 852 CB CYS A 55 -1.543 -9.638 0.883 1.00 0.00 C ATOM 853 SG CYS A 55 -2.800 -8.508 1.511 1.00 0.00 S ATOM 0 H CYS A 55 -1.989 -8.433 -1.285 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.093 -8.052 0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.000 -10.367 0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.100 -10.196 1.708 1.00 0.00 H new ATOM 858 N GLU A 56 1.313 -10.385 0.756 1.00 0.00 N ATOM 859 CA GLU A 56 2.403 -11.366 0.477 1.00 0.00 C ATOM 860 C GLU A 56 1.828 -12.563 -0.282 1.00 0.00 C ATOM 861 O GLU A 56 2.464 -13.138 -1.143 1.00 0.00 O ATOM 862 CB GLU A 56 2.980 -11.877 1.802 1.00 0.00 C ATOM 863 CG GLU A 56 4.317 -12.582 1.548 1.00 0.00 C ATOM 864 CD GLU A 56 5.062 -12.757 2.874 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.505 -12.391 3.896 1.00 0.00 O ATOM 866 OE2 GLU A 56 6.175 -13.253 2.843 1.00 0.00 O ATOM 0 H GLU A 56 1.138 -10.203 1.744 1.00 0.00 H new ATOM 0 HA GLU A 56 3.179 -10.878 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.122 -11.045 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.279 -12.566 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.146 -13.553 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.921 -11.999 0.853 1.00 0.00 H new ATOM 873 N THR A 57 0.635 -12.959 0.065 1.00 0.00 N ATOM 874 CA THR A 57 0.005 -14.142 -0.588 1.00 0.00 C ATOM 875 C THR A 57 -0.737 -13.753 -1.862 1.00 0.00 C ATOM 876 O THR A 57 -0.649 -14.439 -2.858 1.00 0.00 O ATOM 877 CB THR A 57 -0.977 -14.792 0.391 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.260 -15.306 1.504 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.722 -15.930 -0.310 1.00 0.00 C ATOM 0 H THR A 57 0.064 -12.509 0.780 1.00 0.00 H new ATOM 0 HA THR A 57 0.796 -14.842 -0.859 1.00 0.00 H new ATOM 0 HB THR A 57 -1.697 -14.048 0.733 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.886 -15.721 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.421 -16.392 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.271 -15.534 -1.164 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.006 -16.676 -0.654 1.00 0.00 H new ATOM 887 N HIS A 58 -1.472 -12.681 -1.857 1.00 0.00 N ATOM 888 CA HIS A 58 -2.204 -12.316 -3.089 1.00 0.00 C ATOM 889 C HIS A 58 -1.190 -11.937 -4.150 1.00 0.00 C ATOM 890 O HIS A 58 -1.259 -12.388 -5.274 1.00 0.00 O ATOM 891 CB HIS A 58 -3.171 -11.164 -2.805 1.00 0.00 C ATOM 892 CG HIS A 58 -4.180 -11.629 -1.781 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.637 -10.834 -0.727 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.827 -12.834 -1.638 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.513 -11.571 -0.018 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.663 -12.793 -0.530 1.00 0.00 N ATOM 0 H HIS A 58 -1.595 -12.051 -1.064 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.797 -13.159 -3.444 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.627 -10.295 -2.434 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.675 -10.857 -3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.703 -13.686 -2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.032 -11.215 0.860 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.264 -13.540 -0.182 1.00 0.00 H new ATOM 904 N TYR A 59 -0.211 -11.158 -3.796 1.00 0.00 N ATOM 905 CA TYR A 59 0.827 -10.804 -4.776 1.00 0.00 C ATOM 906 C TYR A 59 1.288 -12.083 -5.425 1.00 0.00 C ATOM 907 O TYR A 59 1.281 -12.244 -6.628 1.00 0.00 O ATOM 908 CB TYR A 59 2.003 -10.196 -4.028 1.00 0.00 C ATOM 909 CG TYR A 59 3.188 -10.061 -4.951 1.00 0.00 C ATOM 910 CD1 TYR A 59 2.999 -9.737 -6.297 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.482 -10.253 -4.453 1.00 0.00 C ATOM 912 CE1 TYR A 59 4.096 -9.606 -7.140 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.585 -10.120 -5.302 1.00 0.00 C ATOM 914 CZ TYR A 59 5.392 -9.795 -6.648 1.00 0.00 C ATOM 915 OH TYR A 59 6.478 -9.663 -7.490 1.00 0.00 O ATOM 0 H TYR A 59 -0.091 -10.754 -2.867 1.00 0.00 H new ATOM 0 HA TYR A 59 0.446 -10.101 -5.517 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.727 -9.219 -3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.265 -10.822 -3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.001 -9.588 -6.682 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.628 -10.504 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.947 -9.357 -8.180 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.584 -10.268 -4.919 1.00 0.00 H new ATOM 0 HH TYR A 59 7.303 -9.827 -6.988 1.00 0.00 H new ATOM 925 N ASN A 60 1.693 -12.993 -4.604 1.00 0.00 N ATOM 926 CA ASN A 60 2.167 -14.284 -5.119 1.00 0.00 C ATOM 927 C ASN A 60 0.993 -15.043 -5.727 1.00 0.00 C ATOM 928 O ASN A 60 1.083 -15.564 -6.821 1.00 0.00 O ATOM 929 CB ASN A 60 2.786 -15.101 -3.988 1.00 0.00 C ATOM 930 CG ASN A 60 4.164 -14.534 -3.641 1.00 0.00 C ATOM 931 OD1 ASN A 60 5.142 -14.837 -4.296 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.284 -13.717 -2.630 1.00 0.00 N ATOM 0 H ASN A 60 1.715 -12.895 -3.589 1.00 0.00 H new ATOM 0 HA ASN A 60 2.925 -14.114 -5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.139 -15.075 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.876 -16.145 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.198 -13.333 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.464 -13.462 -2.080 1.00 0.00 H new ATOM 939 N GLN A 61 -0.123 -15.093 -5.048 1.00 0.00 N ATOM 940 CA GLN A 61 -1.290 -15.805 -5.643 1.00 0.00 C ATOM 941 C GLN A 61 -1.509 -15.206 -7.021 1.00 0.00 C ATOM 942 O GLN A 61 -1.893 -15.871 -7.963 1.00 0.00 O ATOM 943 CB GLN A 61 -2.548 -15.601 -4.789 1.00 0.00 C ATOM 944 CG GLN A 61 -3.548 -16.723 -5.075 1.00 0.00 C ATOM 945 CD GLN A 61 -3.070 -18.016 -4.411 1.00 0.00 C ATOM 946 OE1 GLN A 61 -3.733 -19.031 -4.484 1.00 0.00 O ATOM 947 NE2 GLN A 61 -1.938 -18.021 -3.762 1.00 0.00 N ATOM 0 H GLN A 61 -0.275 -14.681 -4.127 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.096 -16.876 -5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.285 -15.595 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.998 -14.633 -5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.534 -16.451 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.648 -16.870 -6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.381 -17.168 -3.701 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.610 -18.877 -3.316 1.00 0.00 H new ATOM 956 N LEU A 62 -1.235 -13.942 -7.131 1.00 0.00 N ATOM 957 CA LEU A 62 -1.381 -13.246 -8.430 1.00 0.00 C ATOM 958 C LEU A 62 -0.175 -13.588 -9.303 1.00 0.00 C ATOM 959 O LEU A 62 -0.291 -13.773 -10.497 1.00 0.00 O ATOM 960 CB LEU A 62 -1.420 -11.727 -8.191 1.00 0.00 C ATOM 961 CG LEU A 62 -2.867 -11.242 -7.991 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.198 -11.121 -6.500 1.00 0.00 C ATOM 963 CD2 LEU A 62 -3.029 -9.872 -8.643 1.00 0.00 C ATOM 0 H LEU A 62 -0.911 -13.353 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.302 -13.559 -8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.823 -11.477 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.972 -11.209 -9.039 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.543 -11.966 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.225 -10.777 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.084 -12.094 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.520 -10.406 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.052 -9.522 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.339 -9.166 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.812 -9.948 -9.708 1.00 0.00 H new ATOM 975 N PHE A 63 0.984 -13.664 -8.712 1.00 0.00 N ATOM 976 CA PHE A 63 2.205 -13.977 -9.507 1.00 0.00 C ATOM 977 C PHE A 63 3.321 -14.487 -8.592 1.00 0.00 C ATOM 978 O PHE A 63 3.575 -15.671 -8.504 1.00 0.00 O ATOM 979 CB PHE A 63 2.663 -12.704 -10.223 1.00 0.00 C ATOM 980 CG PHE A 63 1.852 -12.533 -11.483 1.00 0.00 C ATOM 981 CD1 PHE A 63 2.188 -13.251 -12.637 1.00 0.00 C ATOM 982 CD2 PHE A 63 0.752 -11.671 -11.489 1.00 0.00 C ATOM 983 CE1 PHE A 63 1.423 -13.103 -13.800 1.00 0.00 C ATOM 984 CE2 PHE A 63 -0.017 -11.525 -12.651 1.00 0.00 C ATOM 985 CZ PHE A 63 0.321 -12.240 -13.807 1.00 0.00 C ATOM 0 H PHE A 63 1.139 -13.523 -7.714 1.00 0.00 H new ATOM 0 HA PHE A 63 1.976 -14.755 -10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.535 -11.839 -9.572 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.724 -12.768 -10.464 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.037 -13.919 -12.630 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.495 -11.117 -10.598 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.683 -13.654 -14.691 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.869 -10.862 -12.655 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.269 -12.125 -14.704 1.00 0.00 H new ATOM 995 N GLY A 64 3.995 -13.598 -7.923 1.00 0.00 N ATOM 996 CA GLY A 64 5.107 -14.019 -7.022 1.00 0.00 C ATOM 997 C GLY A 64 6.418 -14.044 -7.805 1.00 0.00 C ATOM 998 O GLY A 64 7.486 -14.193 -7.247 1.00 0.00 O ATOM 0 H GLY A 64 3.825 -12.593 -7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.187 -13.331 -6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.900 -15.006 -6.608 1.00 0.00 H new ATOM 1002 N ASP A 65 6.342 -13.899 -9.097 1.00 0.00 N ATOM 1003 CA ASP A 65 7.580 -13.914 -9.925 1.00 0.00 C ATOM 1004 C ASP A 65 8.365 -15.198 -9.647 1.00 0.00 C ATOM 1005 O ASP A 65 9.498 -15.160 -9.210 1.00 0.00 O ATOM 1006 CB ASP A 65 8.443 -12.701 -9.574 1.00 0.00 C ATOM 1007 CG ASP A 65 7.579 -11.439 -9.582 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.380 -11.568 -9.765 1.00 0.00 O ATOM 1009 OD2 ASP A 65 8.131 -10.366 -9.406 1.00 0.00 O ATOM 0 H ASP A 65 5.474 -13.770 -9.617 1.00 0.00 H new ATOM 0 HA ASP A 65 7.311 -13.875 -10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.898 -12.837 -8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.257 -12.601 -10.292 1.00 0.00 H new ATOM 1014 N VAL A 66 7.772 -16.333 -9.894 1.00 0.00 N ATOM 1015 CA VAL A 66 8.485 -17.617 -9.642 1.00 0.00 C ATOM 1016 C VAL A 66 9.510 -17.857 -10.752 1.00 0.00 C ATOM 1017 O VAL A 66 9.860 -19.005 -10.971 1.00 0.00 O ATOM 1018 CB VAL A 66 7.475 -18.765 -9.624 1.00 0.00 C ATOM 1019 CG1 VAL A 66 6.454 -18.531 -8.508 1.00 0.00 C ATOM 1020 CG2 VAL A 66 6.750 -18.828 -10.971 1.00 0.00 C ATOM 1021 OXT VAL A 66 9.927 -16.889 -11.366 1.00 0.00 O ATOM 0 H VAL A 66 6.824 -16.427 -10.259 1.00 0.00 H new ATOM 0 HA VAL A 66 8.996 -17.567 -8.680 1.00 0.00 H new ATOM 0 HB VAL A 66 7.998 -19.705 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.734 -19.350 -8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.968 -18.486 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.931 -17.591 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.030 -19.646 -10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.228 -17.888 -11.147 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.475 -18.995 -11.767 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.892 7.871 2.963 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.133 -8.940 -0.316 1.00 0.00 ZN