USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 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+ -175:sc= -0.129 (180deg=-0.17) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 154:sc= -0.251 (180deg=-1.47!) USER MOD Single : A 21 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.18) USER MOD Single : A 23 MET CE :methyl -161:sc= -1.1 (180deg=-2.99!) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc=-0.00451 (180deg=-0.167) USER MOD Single : A 26 GLN : amide:sc= -7.4! K(o=-7.4!,f=-1.9) USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.53) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.307) USER MOD Single : A 44 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-6.2!) USER MOD Single : A 46 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.8) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.448 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 7:sc= 0.0032 USER MOD Single : A 59 TYR OH : rot -39:sc= 0.132 USER MOD Single : A 60 ASN : amide:sc= -1.61 K(o=-1.6,f=-5.8!) USER MOD Single : A 61 GLN : amide:sc= -0.565 X(o=-0.57,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.024 25.537 -3.637 1.00 0.00 N ATOM 2 CA GLY A 1 1.461 25.489 -3.512 1.00 0.00 C ATOM 3 C GLY A 1 1.874 24.193 -2.814 1.00 0.00 C ATOM 4 O GLY A 1 3.033 23.830 -2.792 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.299 26.376 -4.186 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.359 24.681 -4.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.451 25.588 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.921 25.546 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.817 26.349 -2.945 1.00 0.00 H new ATOM 10 N SER A 2 0.934 23.491 -2.242 1.00 0.00 N ATOM 11 CA SER A 2 1.274 22.219 -1.546 1.00 0.00 C ATOM 12 C SER A 2 2.346 22.487 -0.488 1.00 0.00 C ATOM 13 O SER A 2 3.512 22.639 -0.796 1.00 0.00 O ATOM 14 CB SER A 2 1.804 21.207 -2.563 1.00 0.00 C ATOM 15 OG SER A 2 1.804 19.910 -1.981 1.00 0.00 O ATOM 0 H SER A 2 -0.054 23.744 -2.227 1.00 0.00 H new ATOM 0 HA SER A 2 0.381 21.818 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.183 21.216 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.813 21.479 -2.872 1.00 0.00 H new ATOM 0 HG SER A 2 2.142 19.260 -2.632 1.00 0.00 H new ATOM 21 N MET A 3 1.962 22.546 0.758 1.00 0.00 N ATOM 22 CA MET A 3 2.960 22.805 1.833 1.00 0.00 C ATOM 23 C MET A 3 3.800 21.547 2.062 1.00 0.00 C ATOM 24 O MET A 3 4.251 21.281 3.159 1.00 0.00 O ATOM 25 CB MET A 3 2.231 23.175 3.127 1.00 0.00 C ATOM 26 CG MET A 3 1.689 24.601 3.018 1.00 0.00 C ATOM 27 SD MET A 3 0.818 25.035 4.544 1.00 0.00 S ATOM 28 CE MET A 3 2.244 24.963 5.655 1.00 0.00 C ATOM 0 H MET A 3 1.001 22.426 1.077 1.00 0.00 H new ATOM 0 HA MET A 3 3.611 23.627 1.535 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.414 22.477 3.309 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.911 23.097 3.975 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.507 25.300 2.842 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.014 24.680 2.166 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.070 25.613 6.513 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.386 23.938 5.999 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.136 25.294 5.124 1.00 0.00 H new ATOM 38 N GLY A 4 4.013 20.769 1.037 1.00 0.00 N ATOM 39 CA GLY A 4 4.823 19.528 1.198 1.00 0.00 C ATOM 40 C GLY A 4 3.936 18.406 1.738 1.00 0.00 C ATOM 41 O GLY A 4 4.196 17.238 1.528 1.00 0.00 O ATOM 0 H GLY A 4 3.661 20.939 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.254 19.236 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.654 19.709 1.880 1.00 0.00 H new ATOM 45 N VAL A 5 2.892 18.757 2.435 1.00 0.00 N ATOM 46 CA VAL A 5 1.982 17.718 2.996 1.00 0.00 C ATOM 47 C VAL A 5 1.685 16.659 1.927 1.00 0.00 C ATOM 48 O VAL A 5 1.281 16.992 0.830 1.00 0.00 O ATOM 49 CB VAL A 5 0.659 18.372 3.421 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.478 17.358 3.305 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.740 18.846 4.870 1.00 0.00 C ATOM 0 H VAL A 5 2.628 19.721 2.641 1.00 0.00 H new ATOM 0 HA VAL A 5 2.462 17.251 3.856 1.00 0.00 H new ATOM 0 HB VAL A 5 0.473 19.225 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.415 17.826 3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.559 17.018 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.273 16.505 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.206 19.307 5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.940 17.995 5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.544 19.575 4.970 1.00 0.00 H new ATOM 61 N PRO A 6 1.864 15.411 2.284 1.00 0.00 N ATOM 62 CA PRO A 6 1.587 14.298 1.376 1.00 0.00 C ATOM 63 C PRO A 6 0.093 14.094 1.280 1.00 0.00 C ATOM 64 O PRO A 6 -0.664 14.566 2.104 1.00 0.00 O ATOM 65 CB PRO A 6 2.244 13.079 2.034 1.00 0.00 C ATOM 66 CG PRO A 6 2.701 13.513 3.446 1.00 0.00 C ATOM 67 CD PRO A 6 2.367 15.001 3.606 1.00 0.00 C ATOM 0 HA PRO A 6 1.966 14.471 0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.540 12.249 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.093 12.734 1.444 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.195 12.923 4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.771 13.345 3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.618 15.158 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.247 15.577 3.892 1.00 0.00 H new ATOM 75 N ILE A 7 -0.335 13.390 0.286 1.00 0.00 N ATOM 76 CA ILE A 7 -1.783 13.144 0.136 1.00 0.00 C ATOM 77 C ILE A 7 -2.010 11.673 -0.165 1.00 0.00 C ATOM 78 O ILE A 7 -1.519 11.129 -1.134 1.00 0.00 O ATOM 79 CB ILE A 7 -2.335 14.032 -0.970 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.478 15.438 -0.394 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.700 13.505 -1.404 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.870 16.438 -1.475 1.00 0.00 C ATOM 0 H ILE A 7 0.256 12.972 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.308 13.389 1.059 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.674 14.040 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.231 15.436 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.537 15.744 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.099 14.138 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.596 12.485 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.381 13.515 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.965 17.431 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.103 16.456 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.823 16.144 -1.915 1.00 0.00 H new ATOM 94 N CYS A 8 -2.733 11.025 0.694 1.00 0.00 N ATOM 95 CA CYS A 8 -2.987 9.579 0.521 1.00 0.00 C ATOM 96 C CYS A 8 -3.657 9.328 -0.821 1.00 0.00 C ATOM 97 O CYS A 8 -4.762 9.762 -1.075 1.00 0.00 O ATOM 98 CB CYS A 8 -3.869 9.082 1.664 1.00 0.00 C ATOM 99 SG CYS A 8 -4.364 7.370 1.359 1.00 0.00 S ATOM 0 H CYS A 8 -3.164 11.442 1.519 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.043 9.035 0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.329 9.151 2.608 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.752 9.714 1.755 1.00 0.00 H new ATOM 104 N GLY A 9 -2.982 8.627 -1.683 1.00 0.00 N ATOM 105 CA GLY A 9 -3.555 8.335 -3.020 1.00 0.00 C ATOM 106 C GLY A 9 -4.834 7.523 -2.850 1.00 0.00 C ATOM 107 O GLY A 9 -5.515 7.207 -3.805 1.00 0.00 O ATOM 0 H GLY A 9 -2.052 8.242 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.767 9.264 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.836 7.782 -3.624 1.00 0.00 H new ATOM 111 N ALA A 10 -5.162 7.178 -1.636 1.00 0.00 N ATOM 112 CA ALA A 10 -6.395 6.381 -1.396 1.00 0.00 C ATOM 113 C ALA A 10 -7.592 7.322 -1.284 1.00 0.00 C ATOM 114 O ALA A 10 -8.533 7.244 -2.049 1.00 0.00 O ATOM 115 CB ALA A 10 -6.239 5.585 -0.097 1.00 0.00 C ATOM 0 H ALA A 10 -4.628 7.414 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.555 5.692 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.141 5.000 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.383 4.916 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.082 6.272 0.734 1.00 0.00 H new ATOM 121 N CYS A 11 -7.558 8.211 -0.336 1.00 0.00 N ATOM 122 CA CYS A 11 -8.686 9.168 -0.162 1.00 0.00 C ATOM 123 C CYS A 11 -8.313 10.506 -0.802 1.00 0.00 C ATOM 124 O CYS A 11 -9.086 11.443 -0.793 1.00 0.00 O ATOM 125 CB CYS A 11 -8.954 9.369 1.331 1.00 0.00 C ATOM 126 SG CYS A 11 -7.381 9.384 2.227 1.00 0.00 S ATOM 0 H CYS A 11 -6.794 8.318 0.331 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.583 8.773 -0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.487 10.306 1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.592 8.570 1.708 1.00 0.00 H new ATOM 131 N ARG A 12 -7.130 10.606 -1.348 1.00 0.00 N ATOM 132 CA ARG A 12 -6.706 11.883 -1.976 1.00 0.00 C ATOM 133 C ARG A 12 -6.826 12.997 -0.940 1.00 0.00 C ATOM 134 O ARG A 12 -7.232 14.102 -1.242 1.00 0.00 O ATOM 135 CB ARG A 12 -7.597 12.199 -3.184 1.00 0.00 C ATOM 136 CG ARG A 12 -7.362 11.163 -4.296 1.00 0.00 C ATOM 137 CD ARG A 12 -8.315 9.977 -4.117 1.00 0.00 C ATOM 138 NE ARG A 12 -9.723 10.465 -4.112 1.00 0.00 N ATOM 139 CZ ARG A 12 -10.708 9.623 -4.271 1.00 0.00 C ATOM 140 NH1 ARG A 12 -10.459 8.352 -4.432 1.00 0.00 N ATOM 141 NH2 ARG A 12 -11.940 10.050 -4.267 1.00 0.00 N ATOM 0 H ARG A 12 -6.441 9.855 -1.384 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.675 11.800 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.645 12.192 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.378 13.200 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.519 11.623 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.329 10.817 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.172 9.257 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.096 9.459 -3.184 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.917 11.458 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.495 8.017 -4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.228 7.693 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.135 11.043 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.709 9.391 -4.391 1.00 0.00 H new ATOM 155 N ARG A 13 -6.465 12.710 0.284 1.00 0.00 N ATOM 156 CA ARG A 13 -6.541 13.739 1.358 1.00 0.00 C ATOM 157 C ARG A 13 -5.125 13.976 1.891 1.00 0.00 C ATOM 158 O ARG A 13 -4.314 13.074 1.870 1.00 0.00 O ATOM 159 CB ARG A 13 -7.438 13.237 2.493 1.00 0.00 C ATOM 160 CG ARG A 13 -8.906 13.271 2.053 1.00 0.00 C ATOM 161 CD ARG A 13 -9.353 14.716 1.792 1.00 0.00 C ATOM 162 NE ARG A 13 -9.197 15.029 0.343 1.00 0.00 N ATOM 163 CZ ARG A 13 -9.783 16.080 -0.163 1.00 0.00 C ATOM 164 NH1 ARG A 13 -10.503 16.857 0.599 1.00 0.00 N ATOM 165 NH2 ARG A 13 -9.648 16.354 -1.432 1.00 0.00 N ATOM 0 H ARG A 13 -6.118 11.799 0.585 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.959 14.665 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.156 12.221 2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.300 13.858 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.035 12.675 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.534 12.823 2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.392 14.847 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.758 15.406 2.390 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.633 14.423 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.608 16.643 1.591 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.961 17.678 0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.085 15.747 -2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.106 17.175 -1.828 1.00 0.00 H new ATOM 179 N PRO A 14 -4.854 15.176 2.343 1.00 0.00 N ATOM 180 CA PRO A 14 -3.519 15.518 2.862 1.00 0.00 C ATOM 181 C PRO A 14 -3.143 14.610 4.033 1.00 0.00 C ATOM 182 O PRO A 14 -3.727 14.674 5.096 1.00 0.00 O ATOM 183 CB PRO A 14 -3.634 16.987 3.298 1.00 0.00 C ATOM 184 CG PRO A 14 -5.051 17.481 2.936 1.00 0.00 C ATOM 185 CD PRO A 14 -5.836 16.279 2.383 1.00 0.00 C ATOM 0 HA PRO A 14 -2.734 15.380 2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.459 17.081 4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.879 17.594 2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.549 17.892 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.001 18.279 2.195 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.684 16.032 3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.236 16.490 1.391 1.00 0.00 H new ATOM 193 N ILE A 15 -2.153 13.773 3.849 1.00 0.00 N ATOM 194 CA ILE A 15 -1.731 12.878 4.966 1.00 0.00 C ATOM 195 C ILE A 15 -1.101 13.753 6.051 1.00 0.00 C ATOM 196 O ILE A 15 -0.716 14.875 5.792 1.00 0.00 O ATOM 197 CB ILE A 15 -0.739 11.823 4.456 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.448 10.910 3.450 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.242 10.976 5.631 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.442 10.392 2.417 1.00 0.00 C ATOM 0 H ILE A 15 -1.624 13.672 2.983 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.587 12.343 5.376 1.00 0.00 H new ATOM 0 HB ILE A 15 0.106 12.320 3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.912 10.072 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.247 11.457 2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.462 10.227 5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.254 11.618 6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.088 10.478 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.953 9.744 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.002 11.235 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.342 9.829 2.923 1.00 0.00 H new ATOM 212 N GLU A 16 -1.016 13.285 7.267 1.00 0.00 N ATOM 213 CA GLU A 16 -0.435 14.161 8.332 1.00 0.00 C ATOM 214 C GLU A 16 0.078 13.337 9.514 1.00 0.00 C ATOM 215 O GLU A 16 -0.382 13.472 10.630 1.00 0.00 O ATOM 216 CB GLU A 16 -1.511 15.141 8.816 1.00 0.00 C ATOM 217 CG GLU A 16 -2.870 14.437 8.867 1.00 0.00 C ATOM 218 CD GLU A 16 -2.764 13.167 9.715 1.00 0.00 C ATOM 219 OE1 GLU A 16 -2.938 13.266 10.917 1.00 0.00 O ATOM 220 OE2 GLU A 16 -2.512 12.118 9.144 1.00 0.00 O ATOM 0 H GLU A 16 -1.315 12.357 7.568 1.00 0.00 H new ATOM 0 HA GLU A 16 0.410 14.705 7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.251 15.522 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.561 16.000 8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.621 15.105 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.198 14.186 7.858 1.00 0.00 H new ATOM 227 N GLY A 17 1.042 12.502 9.278 1.00 0.00 N ATOM 228 CA GLY A 17 1.611 11.678 10.379 1.00 0.00 C ATOM 229 C GLY A 17 2.607 10.702 9.775 1.00 0.00 C ATOM 230 O GLY A 17 3.753 11.027 9.536 1.00 0.00 O ATOM 0 H GLY A 17 1.466 12.351 8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.101 12.314 11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.819 11.140 10.899 1.00 0.00 H new ATOM 234 N ARG A 18 2.162 9.516 9.501 1.00 0.00 N ATOM 235 CA ARG A 18 3.048 8.502 8.873 1.00 0.00 C ATOM 236 C ARG A 18 2.586 8.326 7.428 1.00 0.00 C ATOM 237 O ARG A 18 1.403 8.320 7.148 1.00 0.00 O ATOM 238 CB ARG A 18 2.932 7.184 9.634 1.00 0.00 C ATOM 239 CG ARG A 18 1.456 6.847 9.846 1.00 0.00 C ATOM 240 CD ARG A 18 1.341 5.563 10.666 1.00 0.00 C ATOM 241 NE ARG A 18 -0.075 5.097 10.665 1.00 0.00 N ATOM 242 CZ ARG A 18 -0.362 3.882 11.043 1.00 0.00 C ATOM 243 NH1 ARG A 18 0.590 3.074 11.422 1.00 0.00 N ATOM 244 NH2 ARG A 18 -1.602 3.475 11.042 1.00 0.00 N ATOM 0 H ARG A 18 1.210 9.199 9.687 1.00 0.00 H new ATOM 0 HA ARG A 18 4.091 8.819 8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.422 6.386 9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.440 7.261 10.595 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.955 7.667 10.361 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.958 6.723 8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.989 4.793 10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.676 5.740 11.688 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.819 5.728 10.369 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.559 3.392 11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.365 2.124 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.346 4.107 10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.827 2.525 11.337 1.00 0.00 H new ATOM 258 N VAL A 19 3.499 8.222 6.503 1.00 0.00 N ATOM 259 CA VAL A 19 3.094 8.093 5.068 1.00 0.00 C ATOM 260 C VAL A 19 3.712 6.848 4.441 1.00 0.00 C ATOM 261 O VAL A 19 4.695 6.315 4.915 1.00 0.00 O ATOM 262 CB VAL A 19 3.588 9.324 4.296 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.114 9.252 2.837 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.039 10.602 4.939 1.00 0.00 C ATOM 0 H VAL A 19 4.505 8.220 6.674 1.00 0.00 H new ATOM 0 HA VAL A 19 2.008 8.015 5.019 1.00 0.00 H new ATOM 0 HB VAL A 19 4.677 9.340 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.468 10.129 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.512 8.351 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.025 9.224 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.395 11.470 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.949 10.580 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.382 10.666 5.972 1.00 0.00 H new ATOM 274 N VAL A 20 3.152 6.410 3.344 1.00 0.00 N ATOM 275 CA VAL A 20 3.699 5.230 2.626 1.00 0.00 C ATOM 276 C VAL A 20 3.934 5.643 1.181 1.00 0.00 C ATOM 277 O VAL A 20 3.015 6.002 0.478 1.00 0.00 O ATOM 278 CB VAL A 20 2.709 4.062 2.685 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.965 3.105 1.514 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.904 3.307 4.000 1.00 0.00 C ATOM 0 H VAL A 20 2.328 6.828 2.912 1.00 0.00 H new ATOM 0 HA VAL A 20 4.629 4.902 3.089 1.00 0.00 H new ATOM 0 HB VAL A 20 1.691 4.447 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.259 2.276 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.836 3.639 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.982 2.719 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.202 2.474 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.924 2.926 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.725 3.982 4.837 1.00 0.00 H new ATOM 290 N ASN A 21 5.152 5.616 0.734 1.00 0.00 N ATOM 291 CA ASN A 21 5.424 6.029 -0.666 1.00 0.00 C ATOM 292 C ASN A 21 5.335 4.812 -1.582 1.00 0.00 C ATOM 293 O ASN A 21 6.207 3.966 -1.601 1.00 0.00 O ATOM 294 CB ASN A 21 6.819 6.643 -0.753 1.00 0.00 C ATOM 295 CG ASN A 21 6.867 7.923 0.084 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.894 8.565 0.172 1.00 0.00 O ATOM 297 ND2 ASN A 21 5.792 8.322 0.707 1.00 0.00 N ATOM 0 H ASN A 21 5.969 5.328 1.273 1.00 0.00 H new ATOM 0 HA ASN A 21 4.687 6.768 -0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.563 5.933 -0.393 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.066 6.865 -1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.814 9.173 1.268 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.930 7.782 0.633 1.00 0.00 H new ATOM 304 N ALA A 22 4.279 4.719 -2.339 1.00 0.00 N ATOM 305 CA ALA A 22 4.113 3.563 -3.260 1.00 0.00 C ATOM 306 C ALA A 22 3.421 4.041 -4.533 1.00 0.00 C ATOM 307 O ALA A 22 2.790 5.079 -4.550 1.00 0.00 O ATOM 308 CB ALA A 22 3.251 2.496 -2.583 1.00 0.00 C ATOM 0 H ALA A 22 3.519 5.399 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 22 5.087 3.140 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.128 1.647 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.737 2.164 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.273 2.915 -2.345 1.00 0.00 H new ATOM 314 N MET A 23 3.534 3.302 -5.601 1.00 0.00 N ATOM 315 CA MET A 23 2.880 3.733 -6.865 1.00 0.00 C ATOM 316 C MET A 23 3.423 5.102 -7.235 1.00 0.00 C ATOM 317 O MET A 23 2.852 5.828 -8.025 1.00 0.00 O ATOM 318 CB MET A 23 1.366 3.834 -6.659 1.00 0.00 C ATOM 319 CG MET A 23 0.852 2.619 -5.879 1.00 0.00 C ATOM 320 SD MET A 23 0.760 1.192 -6.985 1.00 0.00 S ATOM 321 CE MET A 23 1.289 -0.070 -5.801 1.00 0.00 C ATOM 0 H MET A 23 4.048 2.423 -5.652 1.00 0.00 H new ATOM 0 HA MET A 23 3.084 3.010 -7.655 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.126 4.750 -6.118 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.864 3.893 -7.625 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.516 2.402 -5.042 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.131 2.832 -5.459 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.625 -0.956 -6.340 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.108 0.319 -5.196 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.453 -0.335 -5.153 1.00 0.00 H new ATOM 331 N GLY A 24 4.515 5.459 -6.642 1.00 0.00 N ATOM 332 CA GLY A 24 5.113 6.791 -6.917 1.00 0.00 C ATOM 333 C GLY A 24 4.216 7.847 -6.282 1.00 0.00 C ATOM 334 O GLY A 24 4.155 8.980 -6.716 1.00 0.00 O ATOM 0 H GLY A 24 5.027 4.884 -5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.121 6.849 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.197 6.957 -7.991 1.00 0.00 H new ATOM 338 N LYS A 25 3.505 7.459 -5.261 1.00 0.00 N ATOM 339 CA LYS A 25 2.575 8.398 -4.572 1.00 0.00 C ATOM 340 C LYS A 25 2.804 8.345 -3.064 1.00 0.00 C ATOM 341 O LYS A 25 3.870 8.015 -2.590 1.00 0.00 O ATOM 342 CB LYS A 25 1.134 7.962 -4.863 1.00 0.00 C ATOM 343 CG LYS A 25 0.840 8.069 -6.367 1.00 0.00 C ATOM 344 CD LYS A 25 -0.486 8.811 -6.585 1.00 0.00 C ATOM 345 CE LYS A 25 -0.256 10.320 -6.466 1.00 0.00 C ATOM 346 NZ LYS A 25 0.397 10.822 -7.707 1.00 0.00 N ATOM 0 H LYS A 25 3.529 6.518 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 25 2.752 9.412 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.982 6.936 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.437 8.587 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.650 8.598 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.788 7.074 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.891 8.571 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.221 8.486 -5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.205 10.832 -6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.370 10.536 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.281 11.854 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.410 10.588 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.044 10.375 -8.536 1.00 0.00 H new ATOM 360 N GLN A 26 1.787 8.665 -2.321 1.00 0.00 N ATOM 361 CA GLN A 26 1.863 8.642 -0.839 1.00 0.00 C ATOM 362 C GLN A 26 0.560 8.013 -0.347 1.00 0.00 C ATOM 363 O GLN A 26 -0.480 8.214 -0.942 1.00 0.00 O ATOM 364 CB GLN A 26 1.987 10.080 -0.331 1.00 0.00 C ATOM 365 CG GLN A 26 3.447 10.547 -0.485 1.00 0.00 C ATOM 366 CD GLN A 26 3.503 12.011 -0.941 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.569 12.533 -1.201 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.402 12.698 -1.051 1.00 0.00 N ATOM 0 H GLN A 26 0.880 8.950 -2.691 1.00 0.00 H new ATOM 0 HA GLN A 26 2.721 8.075 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.322 10.736 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.683 10.137 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.971 10.436 0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.962 9.915 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.505 12.263 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.436 13.671 -1.355 1.00 0.00 H new ATOM 377 N TRP A 27 0.590 7.224 0.692 1.00 0.00 N ATOM 378 CA TRP A 27 -0.675 6.574 1.142 1.00 0.00 C ATOM 379 C TRP A 27 -0.745 6.533 2.666 1.00 0.00 C ATOM 380 O TRP A 27 0.229 6.234 3.327 1.00 0.00 O ATOM 381 CB TRP A 27 -0.698 5.144 0.598 1.00 0.00 C ATOM 382 CG TRP A 27 -0.503 5.169 -0.884 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.690 5.248 -1.518 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.513 5.114 -1.925 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.470 5.254 -2.884 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.874 5.171 -3.185 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.909 5.022 -1.894 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.602 5.141 -4.374 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.647 4.990 -3.083 1.00 0.00 C ATOM 390 CH2 TRP A 27 -2.996 5.051 -4.323 1.00 0.00 C ATOM 0 H TRP A 27 1.420 7.003 1.241 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.528 7.143 0.772 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.087 4.552 1.068 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.647 4.666 0.842 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.655 5.298 -1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.211 5.313 -3.583 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.421 4.975 -0.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.093 5.187 -5.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.724 4.918 -3.045 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.570 5.029 -5.237 1.00 0.00 H new ATOM 401 N HIS A 28 -1.896 6.788 3.240 1.00 0.00 N ATOM 402 CA HIS A 28 -1.987 6.704 4.725 1.00 0.00 C ATOM 403 C HIS A 28 -1.524 5.301 5.106 1.00 0.00 C ATOM 404 O HIS A 28 -1.969 4.326 4.534 1.00 0.00 O ATOM 405 CB HIS A 28 -3.434 6.878 5.199 1.00 0.00 C ATOM 406 CG HIS A 28 -3.795 8.334 5.257 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.764 8.883 4.434 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.345 9.362 6.046 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.865 10.189 4.742 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.023 10.533 5.720 1.00 0.00 N ATOM 0 H HIS A 28 -2.756 7.045 2.755 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.382 7.487 5.182 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.110 6.356 4.522 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.557 6.427 6.184 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.581 9.276 6.805 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.544 10.875 4.258 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.903 11.456 6.138 1.00 0.00 H new ATOM 418 N VAL A 29 -0.650 5.168 6.051 1.00 0.00 N ATOM 419 CA VAL A 29 -0.200 3.807 6.426 1.00 0.00 C ATOM 420 C VAL A 29 -1.431 2.961 6.730 1.00 0.00 C ATOM 421 O VAL A 29 -1.368 1.752 6.833 1.00 0.00 O ATOM 422 CB VAL A 29 0.693 3.895 7.659 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.741 2.539 8.362 1.00 0.00 C ATOM 424 CG2 VAL A 29 2.097 4.302 7.220 1.00 0.00 C ATOM 0 H VAL A 29 -0.229 5.934 6.578 1.00 0.00 H new ATOM 0 HA VAL A 29 0.366 3.353 5.613 1.00 0.00 H new ATOM 0 HB VAL A 29 0.294 4.635 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.380 2.608 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.265 2.251 8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.142 1.789 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.746 4.369 8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.493 3.557 6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.056 5.271 6.723 1.00 0.00 H new ATOM 434 N GLU A 30 -2.550 3.604 6.886 1.00 0.00 N ATOM 435 CA GLU A 30 -3.803 2.870 7.198 1.00 0.00 C ATOM 436 C GLU A 30 -4.584 2.572 5.911 1.00 0.00 C ATOM 437 O GLU A 30 -5.337 1.621 5.846 1.00 0.00 O ATOM 438 CB GLU A 30 -4.663 3.733 8.127 1.00 0.00 C ATOM 439 CG GLU A 30 -5.922 2.965 8.536 1.00 0.00 C ATOM 440 CD GLU A 30 -5.529 1.750 9.381 1.00 0.00 C ATOM 441 OE1 GLU A 30 -4.456 1.779 9.960 1.00 0.00 O ATOM 442 OE2 GLU A 30 -6.308 0.814 9.433 1.00 0.00 O ATOM 0 H GLU A 30 -2.651 4.616 6.810 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.555 1.925 7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.091 4.009 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.939 4.660 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.589 3.615 9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.468 2.643 7.649 1.00 0.00 H new ATOM 449 N HIS A 31 -4.429 3.379 4.890 1.00 0.00 N ATOM 450 CA HIS A 31 -5.189 3.132 3.625 1.00 0.00 C ATOM 451 C HIS A 31 -4.321 2.398 2.606 1.00 0.00 C ATOM 452 O HIS A 31 -4.800 1.977 1.572 1.00 0.00 O ATOM 453 CB HIS A 31 -5.664 4.464 3.033 1.00 0.00 C ATOM 454 CG HIS A 31 -6.650 5.109 3.973 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.814 6.490 4.071 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.542 4.566 4.868 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.770 6.716 4.991 1.00 0.00 C ATOM 458 NE2 HIS A 31 -8.245 5.582 5.507 1.00 0.00 N ATOM 0 H HIS A 31 -3.814 4.192 4.877 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.052 2.509 3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.813 5.126 2.871 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.128 4.297 2.061 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.676 3.510 5.048 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.112 7.700 5.277 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.969 5.481 6.218 1.00 0.00 H new ATOM 466 N PHE A 32 -3.062 2.200 2.883 1.00 0.00 N ATOM 467 CA PHE A 32 -2.229 1.449 1.908 1.00 0.00 C ATOM 468 C PHE A 32 -2.516 -0.025 2.125 1.00 0.00 C ATOM 469 O PHE A 32 -2.141 -0.602 3.126 1.00 0.00 O ATOM 470 CB PHE A 32 -0.739 1.728 2.116 1.00 0.00 C ATOM 471 CG PHE A 32 0.015 1.242 0.896 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.266 1.789 -0.365 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.978 0.234 1.019 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.417 1.331 -1.494 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.659 -0.225 -0.115 1.00 0.00 C ATOM 476 CZ PHE A 32 1.378 0.324 -1.371 1.00 0.00 C ATOM 0 H PHE A 32 -2.583 2.519 3.725 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.473 1.758 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.570 2.794 2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.380 1.220 3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.011 2.565 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.196 -0.190 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.202 1.756 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.402 -1.003 -0.020 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.904 -0.030 -2.245 1.00 0.00 H new ATOM 486 N VAL A 33 -3.229 -0.626 1.221 1.00 0.00 N ATOM 487 CA VAL A 33 -3.604 -2.052 1.395 1.00 0.00 C ATOM 488 C VAL A 33 -3.355 -2.847 0.123 1.00 0.00 C ATOM 489 O VAL A 33 -2.997 -2.319 -0.912 1.00 0.00 O ATOM 490 CB VAL A 33 -5.098 -2.128 1.706 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.430 -1.314 2.966 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.880 -1.569 0.511 1.00 0.00 C ATOM 0 H VAL A 33 -3.570 -0.189 0.365 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.001 -2.469 2.201 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.375 -3.167 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.498 -1.380 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.872 -1.712 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.155 -0.271 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.949 -1.618 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.591 -0.532 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.657 -2.159 -0.378 1.00 0.00 H new ATOM 502 N CYS A 34 -3.577 -4.121 0.210 1.00 0.00 N ATOM 503 CA CYS A 34 -3.403 -5.013 -0.961 1.00 0.00 C ATOM 504 C CYS A 34 -4.401 -4.621 -2.051 1.00 0.00 C ATOM 505 O CYS A 34 -5.488 -4.154 -1.773 1.00 0.00 O ATOM 506 CB CYS A 34 -3.668 -6.443 -0.507 1.00 0.00 C ATOM 507 SG CYS A 34 -4.082 -7.490 -1.923 1.00 0.00 S ATOM 0 H CYS A 34 -3.879 -4.593 1.062 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.393 -4.927 -1.362 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.788 -6.839 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.485 -6.456 0.214 1.00 0.00 H new ATOM 512 N ALA A 35 -4.039 -4.800 -3.290 1.00 0.00 N ATOM 513 CA ALA A 35 -4.962 -4.434 -4.398 1.00 0.00 C ATOM 514 C ALA A 35 -5.822 -5.646 -4.780 1.00 0.00 C ATOM 515 O ALA A 35 -6.288 -5.761 -5.896 1.00 0.00 O ATOM 516 CB ALA A 35 -4.128 -3.988 -5.597 1.00 0.00 C ATOM 0 H ALA A 35 -3.141 -5.185 -3.583 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.621 -3.625 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.790 -3.716 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.522 -3.126 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.476 -4.804 -5.910 1.00 0.00 H new ATOM 522 N LYS A 36 -6.034 -6.551 -3.858 1.00 0.00 N ATOM 523 CA LYS A 36 -6.866 -7.762 -4.158 1.00 0.00 C ATOM 524 C LYS A 36 -7.832 -8.033 -3.003 1.00 0.00 C ATOM 525 O LYS A 36 -8.910 -8.561 -3.198 1.00 0.00 O ATOM 526 CB LYS A 36 -5.959 -8.987 -4.328 1.00 0.00 C ATOM 527 CG LYS A 36 -6.799 -10.233 -4.630 1.00 0.00 C ATOM 528 CD LYS A 36 -7.564 -10.041 -5.945 1.00 0.00 C ATOM 529 CE LYS A 36 -7.902 -11.408 -6.547 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.438 -12.301 -5.482 1.00 0.00 N ATOM 0 H LYS A 36 -5.667 -6.505 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.425 -7.579 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.250 -8.813 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.375 -9.145 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.154 -11.109 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.499 -10.416 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.478 -9.475 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.963 -9.462 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.636 -11.294 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.012 -11.851 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.014 -13.051 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.648 -12.730 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.026 -11.747 -4.828 1.00 0.00 H new ATOM 544 N CYS A 37 -7.445 -7.708 -1.799 1.00 0.00 N ATOM 545 CA CYS A 37 -8.331 -7.982 -0.627 1.00 0.00 C ATOM 546 C CYS A 37 -8.478 -6.729 0.238 1.00 0.00 C ATOM 547 O CYS A 37 -9.355 -6.647 1.072 1.00 0.00 O ATOM 548 CB CYS A 37 -7.699 -9.097 0.200 1.00 0.00 C ATOM 549 SG CYS A 37 -6.173 -8.482 0.946 1.00 0.00 S ATOM 0 H CYS A 37 -6.554 -7.265 -1.575 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.320 -8.277 -0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.390 -9.429 0.975 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.488 -9.961 -0.431 1.00 0.00 H new ATOM 554 N GLU A 38 -7.631 -5.755 0.047 1.00 0.00 N ATOM 555 CA GLU A 38 -7.724 -4.511 0.852 1.00 0.00 C ATOM 556 C GLU A 38 -7.275 -4.770 2.289 1.00 0.00 C ATOM 557 O GLU A 38 -7.916 -4.353 3.232 1.00 0.00 O ATOM 558 CB GLU A 38 -9.163 -3.974 0.846 1.00 0.00 C ATOM 559 CG GLU A 38 -9.775 -4.140 -0.551 1.00 0.00 C ATOM 560 CD GLU A 38 -10.834 -3.057 -0.779 1.00 0.00 C ATOM 561 OE1 GLU A 38 -10.462 -1.970 -1.190 1.00 0.00 O ATOM 562 OE2 GLU A 38 -11.997 -3.333 -0.539 1.00 0.00 O ATOM 0 H GLU A 38 -6.875 -5.771 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.066 -3.766 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.763 -4.509 1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.170 -2.923 1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.997 -4.068 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.224 -5.128 -0.647 1.00 0.00 H new ATOM 569 N LYS A 39 -6.156 -5.425 2.460 1.00 0.00 N ATOM 570 CA LYS A 39 -5.633 -5.674 3.835 1.00 0.00 C ATOM 571 C LYS A 39 -4.498 -4.669 4.086 1.00 0.00 C ATOM 572 O LYS A 39 -3.457 -4.763 3.466 1.00 0.00 O ATOM 573 CB LYS A 39 -5.095 -7.106 3.936 1.00 0.00 C ATOM 574 CG LYS A 39 -6.205 -8.050 4.427 1.00 0.00 C ATOM 575 CD LYS A 39 -5.593 -9.155 5.289 1.00 0.00 C ATOM 576 CE LYS A 39 -6.593 -10.303 5.439 1.00 0.00 C ATOM 577 NZ LYS A 39 -7.859 -9.787 6.032 1.00 0.00 N ATOM 0 H LYS A 39 -5.581 -5.799 1.705 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.424 -5.553 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.729 -7.436 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.249 -7.138 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.943 -7.492 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.728 -8.486 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.673 -9.519 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.328 -8.760 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.792 -10.755 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.174 -11.084 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.420 -10.582 6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.637 -9.133 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.405 -9.285 5.303 1.00 0.00 H new ATOM 591 N PRO A 40 -4.737 -3.709 4.948 1.00 0.00 N ATOM 592 CA PRO A 40 -3.746 -2.656 5.234 1.00 0.00 C ATOM 593 C PRO A 40 -2.531 -3.201 5.975 1.00 0.00 C ATOM 594 O PRO A 40 -2.638 -3.983 6.899 1.00 0.00 O ATOM 595 CB PRO A 40 -4.484 -1.650 6.121 1.00 0.00 C ATOM 596 CG PRO A 40 -5.855 -2.261 6.480 1.00 0.00 C ATOM 597 CD PRO A 40 -5.996 -3.584 5.708 1.00 0.00 C ATOM 0 HA PRO A 40 -3.368 -2.217 4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.909 -1.442 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.612 -0.702 5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.926 -2.436 7.554 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.660 -1.576 6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.134 -4.426 6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.860 -3.565 5.043 1.00 0.00 H new ATOM 605 N PHE A 41 -1.379 -2.749 5.585 1.00 0.00 N ATOM 606 CA PHE A 41 -0.126 -3.185 6.273 1.00 0.00 C ATOM 607 C PHE A 41 0.242 -2.148 7.334 1.00 0.00 C ATOM 608 O PHE A 41 1.315 -1.578 7.310 1.00 0.00 O ATOM 609 CB PHE A 41 1.024 -3.300 5.271 1.00 0.00 C ATOM 610 CG PHE A 41 0.489 -3.729 3.932 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.085 -2.787 3.072 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.578 -5.069 3.547 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.572 -3.189 1.822 1.00 0.00 C ATOM 614 CE2 PHE A 41 0.091 -5.471 2.302 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.483 -4.534 1.437 1.00 0.00 C ATOM 0 H PHE A 41 -1.244 -2.093 4.816 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.294 -4.159 6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.536 -2.342 5.179 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.759 -4.021 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.153 -1.752 3.371 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.023 -5.794 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.015 -2.464 1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.158 -6.508 2.006 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.857 -4.846 0.473 1.00 0.00 H new ATOM 625 N LEU A 42 -0.638 -1.893 8.259 1.00 0.00 N ATOM 626 CA LEU A 42 -0.340 -0.885 9.319 1.00 0.00 C ATOM 627 C LEU A 42 1.121 -1.014 9.747 1.00 0.00 C ATOM 628 O LEU A 42 1.881 -0.066 9.703 1.00 0.00 O ATOM 629 CB LEU A 42 -1.244 -1.142 10.527 1.00 0.00 C ATOM 630 CG LEU A 42 -2.565 -0.388 10.346 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.217 -0.848 9.057 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.503 -0.682 11.517 1.00 0.00 C ATOM 0 H LEU A 42 -1.553 -2.338 8.329 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.519 0.118 8.931 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.434 -2.210 10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.749 -0.815 11.441 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.368 0.684 10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.159 -0.318 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.554 -0.637 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.408 -1.920 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.439 -0.141 11.378 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.706 -1.752 11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.034 -0.363 12.448 1.00 0.00 H new ATOM 644 N GLY A 43 1.517 -2.184 10.154 1.00 0.00 N ATOM 645 CA GLY A 43 2.929 -2.399 10.581 1.00 0.00 C ATOM 646 C GLY A 43 3.447 -3.702 9.976 1.00 0.00 C ATOM 647 O GLY A 43 4.270 -4.382 10.557 1.00 0.00 O ATOM 0 H GLY A 43 0.920 -3.009 10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.550 -1.563 10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.990 -2.440 11.669 1.00 0.00 H new ATOM 651 N HIS A 44 2.969 -4.057 8.812 1.00 0.00 N ATOM 652 CA HIS A 44 3.430 -5.324 8.165 1.00 0.00 C ATOM 653 C HIS A 44 4.172 -5.009 6.864 1.00 0.00 C ATOM 654 O HIS A 44 4.582 -3.891 6.622 1.00 0.00 O ATOM 655 CB HIS A 44 2.220 -6.213 7.859 1.00 0.00 C ATOM 656 CG HIS A 44 1.164 -6.007 8.907 1.00 0.00 C ATOM 657 ND1 HIS A 44 1.471 -5.612 10.200 1.00 0.00 N ATOM 658 CD2 HIS A 44 -0.200 -6.135 8.867 1.00 0.00 C ATOM 659 CE1 HIS A 44 0.313 -5.519 10.880 1.00 0.00 C ATOM 660 NE2 HIS A 44 -0.737 -5.828 10.114 1.00 0.00 N ATOM 0 H HIS A 44 2.280 -3.525 8.281 1.00 0.00 H new ATOM 0 HA HIS A 44 4.105 -5.845 8.844 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.820 -5.973 6.874 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.522 -7.260 7.834 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.772 -6.429 7.999 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.241 -5.230 11.918 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.720 -5.837 10.385 1.00 0.00 H new ATOM 668 N ARG A 45 4.344 -5.998 6.028 1.00 0.00 N ATOM 669 CA ARG A 45 5.061 -5.788 4.733 1.00 0.00 C ATOM 670 C ARG A 45 4.062 -5.904 3.579 1.00 0.00 C ATOM 671 O ARG A 45 3.127 -6.677 3.635 1.00 0.00 O ATOM 672 CB ARG A 45 6.147 -6.860 4.576 1.00 0.00 C ATOM 673 CG ARG A 45 6.604 -6.934 3.115 1.00 0.00 C ATOM 674 CD ARG A 45 7.951 -7.656 3.036 1.00 0.00 C ATOM 675 NE ARG A 45 9.015 -6.786 3.613 1.00 0.00 N ATOM 676 CZ ARG A 45 10.175 -7.295 3.925 1.00 0.00 C ATOM 677 NH1 ARG A 45 10.404 -8.565 3.731 1.00 0.00 N ATOM 678 NH2 ARG A 45 11.107 -6.534 4.430 1.00 0.00 N ATOM 0 H ARG A 45 4.016 -6.951 6.187 1.00 0.00 H new ATOM 0 HA ARG A 45 5.519 -4.799 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.995 -6.627 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.762 -7.829 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.861 -7.462 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.693 -5.930 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.903 -8.599 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.186 -7.898 1.999 1.00 0.00 H new ATOM 0 HE ARG A 45 8.836 -5.793 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.676 -9.160 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.311 -8.963 3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.929 -5.541 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.014 -6.932 4.674 1.00 0.00 H new ATOM 692 N HIS A 46 4.258 -5.148 2.528 1.00 0.00 N ATOM 693 CA HIS A 46 3.322 -5.225 1.368 1.00 0.00 C ATOM 694 C HIS A 46 4.075 -5.687 0.128 1.00 0.00 C ATOM 695 O HIS A 46 5.288 -5.754 0.105 1.00 0.00 O ATOM 696 CB HIS A 46 2.715 -3.855 1.085 1.00 0.00 C ATOM 697 CG HIS A 46 3.790 -2.807 1.154 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.109 -2.149 2.331 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.630 -2.295 0.197 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.104 -1.285 2.054 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.460 -1.333 0.767 1.00 0.00 N ATOM 0 H HIS A 46 5.024 -4.483 2.424 1.00 0.00 H new ATOM 0 HA HIS A 46 2.530 -5.933 1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.249 -3.848 0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.931 -3.636 1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.645 -2.593 -0.841 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.559 -0.632 2.784 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.183 -0.784 0.303 1.00 0.00 H new ATOM 709 N TYR A 47 3.348 -6.024 -0.895 1.00 0.00 N ATOM 710 CA TYR A 47 3.976 -6.509 -2.148 1.00 0.00 C ATOM 711 C TYR A 47 3.359 -5.755 -3.333 1.00 0.00 C ATOM 712 O TYR A 47 2.167 -5.527 -3.377 1.00 0.00 O ATOM 713 CB TYR A 47 3.713 -8.009 -2.235 1.00 0.00 C ATOM 714 CG TYR A 47 4.029 -8.615 -0.882 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.202 -8.342 0.221 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.163 -9.417 -0.716 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.511 -8.870 1.477 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.471 -9.937 0.549 1.00 0.00 C ATOM 719 CZ TYR A 47 4.648 -9.664 1.640 1.00 0.00 C ATOM 720 OH TYR A 47 4.963 -10.175 2.884 1.00 0.00 O ATOM 0 H TYR A 47 2.329 -5.983 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 47 5.051 -6.331 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.674 -8.199 -2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.332 -8.461 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.326 -7.723 0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.800 -9.635 -1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.870 -8.664 2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.350 -10.552 0.679 1.00 0.00 H new ATOM 0 HH TYR A 47 5.784 -10.706 2.821 1.00 0.00 H new ATOM 730 N GLU A 48 4.168 -5.327 -4.270 1.00 0.00 N ATOM 731 CA GLU A 48 3.634 -4.540 -5.428 1.00 0.00 C ATOM 732 C GLU A 48 3.625 -5.369 -6.711 1.00 0.00 C ATOM 733 O GLU A 48 4.451 -6.235 -6.918 1.00 0.00 O ATOM 734 CB GLU A 48 4.517 -3.306 -5.639 1.00 0.00 C ATOM 735 CG GLU A 48 4.109 -2.210 -4.653 1.00 0.00 C ATOM 736 CD GLU A 48 5.156 -1.094 -4.668 1.00 0.00 C ATOM 737 OE1 GLU A 48 5.045 -0.216 -5.506 1.00 0.00 O ATOM 738 OE2 GLU A 48 6.050 -1.138 -3.839 1.00 0.00 O ATOM 0 H GLU A 48 5.175 -5.488 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 48 2.608 -4.250 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.565 -3.567 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.416 -2.945 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.132 -1.810 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.018 -2.625 -3.649 1.00 0.00 H new ATOM 745 N ARG A 49 2.691 -5.084 -7.582 1.00 0.00 N ATOM 746 CA ARG A 49 2.612 -5.826 -8.874 1.00 0.00 C ATOM 747 C ARG A 49 2.091 -4.900 -9.980 1.00 0.00 C ATOM 748 O ARG A 49 1.124 -4.186 -9.808 1.00 0.00 O ATOM 749 CB ARG A 49 1.665 -7.018 -8.733 1.00 0.00 C ATOM 750 CG ARG A 49 1.621 -7.808 -10.059 1.00 0.00 C ATOM 751 CD ARG A 49 0.173 -7.987 -10.544 1.00 0.00 C ATOM 752 NE ARG A 49 0.131 -7.814 -12.025 1.00 0.00 N ATOM 753 CZ ARG A 49 -0.926 -8.179 -12.697 1.00 0.00 C ATOM 754 NH1 ARG A 49 -1.959 -8.672 -12.072 1.00 0.00 N ATOM 755 NH2 ARG A 49 -0.952 -8.048 -13.996 1.00 0.00 N ATOM 0 H ARG A 49 1.978 -4.367 -7.452 1.00 0.00 H new ATOM 0 HA ARG A 49 3.609 -6.180 -9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.999 -7.666 -7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.665 -6.671 -8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.201 -7.284 -10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.086 -8.784 -9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.196 -8.975 -10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.478 -7.258 -10.061 1.00 0.00 H new ATOM 0 HE ARG A 49 0.930 -7.410 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.941 -8.772 -11.057 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.785 -8.957 -12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.146 -7.660 -14.486 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.779 -8.334 -14.521 1.00 0.00 H new ATOM 769 N LYS A 50 2.740 -4.920 -11.115 1.00 0.00 N ATOM 770 CA LYS A 50 2.328 -4.069 -12.265 1.00 0.00 C ATOM 771 C LYS A 50 1.953 -2.688 -11.769 1.00 0.00 C ATOM 772 O LYS A 50 1.236 -1.952 -12.417 1.00 0.00 O ATOM 773 CB LYS A 50 1.146 -4.704 -13.010 1.00 0.00 C ATOM 774 CG LYS A 50 -0.094 -4.747 -12.110 1.00 0.00 C ATOM 775 CD LYS A 50 -1.337 -5.058 -12.957 1.00 0.00 C ATOM 776 CE LYS A 50 -1.942 -3.753 -13.486 1.00 0.00 C ATOM 777 NZ LYS A 50 -3.156 -4.062 -14.293 1.00 0.00 N ATOM 0 H LYS A 50 3.556 -5.505 -11.294 1.00 0.00 H new ATOM 0 HA LYS A 50 3.165 -3.986 -12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.928 -4.133 -13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.408 -5.713 -13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.031 -5.506 -11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.219 -3.792 -11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.068 -5.709 -13.789 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.073 -5.594 -12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.201 -3.096 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.212 -3.222 -14.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.568 -3.178 -14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.895 -4.673 -15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.854 -4.552 -13.697 1.00 0.00 H new ATOM 791 N GLY A 51 2.446 -2.325 -10.627 1.00 0.00 N ATOM 792 CA GLY A 51 2.132 -0.981 -10.090 1.00 0.00 C ATOM 793 C GLY A 51 0.901 -1.047 -9.192 1.00 0.00 C ATOM 794 O GLY A 51 0.142 -0.106 -9.090 1.00 0.00 O ATOM 0 H GLY A 51 3.052 -2.900 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.983 -0.599 -9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.956 -0.286 -10.911 1.00 0.00 H new ATOM 798 N LEU A 52 0.705 -2.152 -8.536 1.00 0.00 N ATOM 799 CA LEU A 52 -0.465 -2.288 -7.624 1.00 0.00 C ATOM 800 C LEU A 52 -0.044 -3.095 -6.403 1.00 0.00 C ATOM 801 O LEU A 52 0.713 -4.040 -6.500 1.00 0.00 O ATOM 802 CB LEU A 52 -1.618 -2.995 -8.339 1.00 0.00 C ATOM 803 CG LEU A 52 -2.413 -1.992 -9.175 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.530 -2.736 -9.909 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.020 -0.917 -8.259 1.00 0.00 C ATOM 0 H LEU A 52 1.307 -2.973 -8.591 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.804 -1.298 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.228 -3.786 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.272 -3.470 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.754 -1.509 -9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.104 -2.030 -10.509 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.095 -3.495 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.188 -3.214 -9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.586 -0.204 -8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.684 -1.389 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.221 -0.394 -7.733 1.00 0.00 H new ATOM 817 N ALA A 53 -0.511 -2.716 -5.250 1.00 0.00 N ATOM 818 CA ALA A 53 -0.116 -3.448 -4.019 1.00 0.00 C ATOM 819 C ALA A 53 -0.843 -4.781 -3.924 1.00 0.00 C ATOM 820 O ALA A 53 -1.942 -4.946 -4.414 1.00 0.00 O ATOM 821 CB ALA A 53 -0.473 -2.619 -2.788 1.00 0.00 C ATOM 0 H ALA A 53 -1.148 -1.932 -5.106 1.00 0.00 H new ATOM 0 HA ALA A 53 0.959 -3.623 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.181 -3.160 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.055 -1.666 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.548 -2.438 -2.770 1.00 0.00 H new ATOM 827 N TYR A 54 -0.234 -5.727 -3.271 1.00 0.00 N ATOM 828 CA TYR A 54 -0.874 -7.050 -3.101 1.00 0.00 C ATOM 829 C TYR A 54 -0.315 -7.699 -1.850 1.00 0.00 C ATOM 830 O TYR A 54 0.862 -7.619 -1.582 1.00 0.00 O ATOM 831 CB TYR A 54 -0.561 -7.932 -4.301 1.00 0.00 C ATOM 832 CG TYR A 54 -1.425 -7.520 -5.452 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.737 -7.986 -5.546 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.911 -6.667 -6.423 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.539 -7.589 -6.627 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.703 -6.273 -7.493 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.019 -6.731 -7.600 1.00 0.00 C ATOM 838 OH TYR A 54 -3.803 -6.339 -8.666 1.00 0.00 O ATOM 0 H TYR A 54 0.688 -5.636 -2.845 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.954 -6.928 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.491 -7.841 -4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.738 -8.979 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.133 -8.649 -4.791 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.106 -6.311 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.555 -7.946 -6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.301 -5.610 -8.245 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.289 -5.742 -9.248 1.00 0.00 H new ATOM 848 N CYS A 55 -1.128 -8.345 -1.074 1.00 0.00 N ATOM 849 CA CYS A 55 -0.581 -8.984 0.144 1.00 0.00 C ATOM 850 C CYS A 55 0.547 -9.934 -0.269 1.00 0.00 C ATOM 851 O CYS A 55 0.840 -10.096 -1.437 1.00 0.00 O ATOM 852 CB CYS A 55 -1.662 -9.807 0.847 1.00 0.00 C ATOM 853 SG CYS A 55 -2.881 -8.710 1.593 1.00 0.00 S ATOM 0 H CYS A 55 -2.130 -8.458 -1.226 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.219 -8.209 0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.147 -10.472 0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.211 -10.438 1.613 1.00 0.00 H new ATOM 858 N GLU A 56 1.164 -10.578 0.678 1.00 0.00 N ATOM 859 CA GLU A 56 2.256 -11.540 0.345 1.00 0.00 C ATOM 860 C GLU A 56 1.676 -12.711 -0.452 1.00 0.00 C ATOM 861 O GLU A 56 2.296 -13.234 -1.356 1.00 0.00 O ATOM 862 CB GLU A 56 2.862 -12.095 1.639 1.00 0.00 C ATOM 863 CG GLU A 56 4.120 -12.908 1.317 1.00 0.00 C ATOM 864 CD GLU A 56 3.721 -14.292 0.800 1.00 0.00 C ATOM 865 OE1 GLU A 56 2.898 -14.926 1.439 1.00 0.00 O ATOM 866 OE2 GLU A 56 4.244 -14.692 -0.227 1.00 0.00 O ATOM 0 H GLU A 56 0.961 -10.482 1.673 1.00 0.00 H new ATOM 0 HA GLU A 56 3.019 -11.025 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.110 -11.277 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.134 -12.723 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.719 -12.388 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.739 -13.007 2.209 1.00 0.00 H new ATOM 873 N THR A 57 0.499 -13.140 -0.093 1.00 0.00 N ATOM 874 CA THR A 57 -0.132 -14.299 -0.790 1.00 0.00 C ATOM 875 C THR A 57 -0.895 -13.847 -2.032 1.00 0.00 C ATOM 876 O THR A 57 -0.876 -14.507 -3.050 1.00 0.00 O ATOM 877 CB THR A 57 -1.096 -14.999 0.171 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.354 -15.617 1.214 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.899 -16.061 -0.584 1.00 0.00 C ATOM 0 H THR A 57 -0.059 -12.735 0.659 1.00 0.00 H new ATOM 0 HA THR A 57 0.655 -14.985 -1.103 1.00 0.00 H new ATOM 0 HB THR A 57 -1.782 -14.265 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.588 -15.356 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.584 -16.557 0.104 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.468 -15.587 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.218 -16.797 -1.011 1.00 0.00 H new ATOM 887 N HIS A 58 -1.569 -12.738 -1.973 1.00 0.00 N ATOM 888 CA HIS A 58 -2.317 -12.290 -3.163 1.00 0.00 C ATOM 889 C HIS A 58 -1.313 -11.887 -4.224 1.00 0.00 C ATOM 890 O HIS A 58 -1.425 -12.258 -5.372 1.00 0.00 O ATOM 891 CB HIS A 58 -3.232 -11.126 -2.790 1.00 0.00 C ATOM 892 CG HIS A 58 -4.279 -11.634 -1.823 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.764 -10.891 -0.742 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.941 -12.839 -1.764 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.665 -11.658 -0.100 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.809 -12.850 -0.678 1.00 0.00 N ATOM 0 H HIS A 58 -1.632 -12.129 -1.157 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.947 -13.091 -3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.655 -10.320 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.706 -10.715 -3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.806 -13.655 -2.458 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.207 -11.344 0.780 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.425 -13.609 -0.386 1.00 0.00 H new ATOM 904 N TYR A 59 -0.297 -11.175 -3.848 1.00 0.00 N ATOM 905 CA TYR A 59 0.726 -10.805 -4.832 1.00 0.00 C ATOM 906 C TYR A 59 1.221 -12.077 -5.472 1.00 0.00 C ATOM 907 O TYR A 59 1.189 -12.260 -6.672 1.00 0.00 O ATOM 908 CB TYR A 59 1.897 -10.157 -4.110 1.00 0.00 C ATOM 909 CG TYR A 59 3.056 -10.015 -5.062 1.00 0.00 C ATOM 910 CD1 TYR A 59 2.823 -9.643 -6.387 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.360 -10.265 -4.624 1.00 0.00 C ATOM 912 CE1 TYR A 59 3.886 -9.515 -7.271 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.432 -10.134 -5.512 1.00 0.00 C ATOM 914 CZ TYR A 59 5.195 -9.757 -6.839 1.00 0.00 C ATOM 915 OH TYR A 59 6.249 -9.630 -7.720 1.00 0.00 O ATOM 0 H TYR A 59 -0.137 -10.836 -2.899 1.00 0.00 H new ATOM 0 HA TYR A 59 0.315 -10.118 -5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.606 -9.179 -3.726 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.189 -10.762 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.815 -9.455 -6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.539 -10.559 -3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.702 -9.228 -8.296 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.440 -10.323 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 59 5.986 -9.978 -8.597 1.00 0.00 H new ATOM 925 N ASN A 60 1.694 -12.955 -4.651 1.00 0.00 N ATOM 926 CA ASN A 60 2.217 -14.229 -5.165 1.00 0.00 C ATOM 927 C ASN A 60 1.096 -14.993 -5.857 1.00 0.00 C ATOM 928 O ASN A 60 1.275 -15.524 -6.934 1.00 0.00 O ATOM 929 CB ASN A 60 2.788 -15.064 -4.020 1.00 0.00 C ATOM 930 CG ASN A 60 4.170 -14.533 -3.636 1.00 0.00 C ATOM 931 OD1 ASN A 60 5.166 -14.928 -4.210 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.273 -13.650 -2.681 1.00 0.00 N ATOM 0 H ASN A 60 1.740 -12.842 -3.638 1.00 0.00 H new ATOM 0 HA ASN A 60 3.014 -14.028 -5.881 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.120 -15.024 -3.159 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.860 -16.110 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.190 -13.291 -2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.437 -13.319 -2.200 1.00 0.00 H new ATOM 939 N GLN A 61 -0.071 -15.037 -5.273 1.00 0.00 N ATOM 940 CA GLN A 61 -1.178 -15.756 -5.964 1.00 0.00 C ATOM 941 C GLN A 61 -1.309 -15.119 -7.336 1.00 0.00 C ATOM 942 O GLN A 61 -1.540 -15.773 -8.334 1.00 0.00 O ATOM 943 CB GLN A 61 -2.489 -15.598 -5.193 1.00 0.00 C ATOM 944 CG GLN A 61 -2.532 -16.599 -4.036 1.00 0.00 C ATOM 945 CD GLN A 61 -2.881 -17.989 -4.575 1.00 0.00 C ATOM 946 OE1 GLN A 61 -4.040 -18.329 -4.708 1.00 0.00 O ATOM 947 NE2 GLN A 61 -1.919 -18.813 -4.892 1.00 0.00 N ATOM 0 H GLN A 61 -0.302 -14.619 -4.372 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.965 -16.823 -6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.576 -14.581 -4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.336 -15.762 -5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.568 -16.626 -3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.272 -16.287 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.946 -18.528 -4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.141 -19.742 -5.251 1.00 0.00 H new ATOM 956 N LEU A 62 -1.125 -13.834 -7.376 1.00 0.00 N ATOM 957 CA LEU A 62 -1.192 -13.099 -8.664 1.00 0.00 C ATOM 958 C LEU A 62 0.080 -13.385 -9.468 1.00 0.00 C ATOM 959 O LEU A 62 0.047 -13.520 -10.674 1.00 0.00 O ATOM 960 CB LEU A 62 -1.287 -11.592 -8.380 1.00 0.00 C ATOM 961 CG LEU A 62 -2.754 -11.146 -8.331 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.342 -11.409 -6.946 1.00 0.00 C ATOM 963 CD2 LEU A 62 -2.831 -9.652 -8.621 1.00 0.00 C ATOM 0 H LEU A 62 -0.928 -13.254 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.066 -13.420 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.799 -11.363 -7.432 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.757 -11.036 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.320 -11.708 -9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.383 -11.088 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.287 -12.475 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.776 -10.853 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.871 -9.328 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.257 -9.106 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.420 -9.452 -9.611 1.00 0.00 H new ATOM 975 N PHE A 63 1.199 -13.472 -8.805 1.00 0.00 N ATOM 976 CA PHE A 63 2.480 -13.738 -9.526 1.00 0.00 C ATOM 977 C PHE A 63 3.504 -14.352 -8.572 1.00 0.00 C ATOM 978 O PHE A 63 3.679 -15.553 -8.514 1.00 0.00 O ATOM 979 CB PHE A 63 3.034 -12.417 -10.072 1.00 0.00 C ATOM 980 CG PHE A 63 2.454 -12.152 -11.438 1.00 0.00 C ATOM 981 CD1 PHE A 63 3.096 -12.643 -12.581 1.00 0.00 C ATOM 982 CD2 PHE A 63 1.273 -11.419 -11.558 1.00 0.00 C ATOM 983 CE1 PHE A 63 2.552 -12.398 -13.847 1.00 0.00 C ATOM 984 CE2 PHE A 63 0.727 -11.173 -12.823 1.00 0.00 C ATOM 985 CZ PHE A 63 1.365 -11.663 -13.968 1.00 0.00 C ATOM 0 H PHE A 63 1.284 -13.371 -7.794 1.00 0.00 H new ATOM 0 HA PHE A 63 2.291 -14.433 -10.344 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.786 -11.599 -9.395 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.121 -12.463 -10.130 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.010 -13.210 -12.486 1.00 0.00 H new ATOM 0 HD2 PHE A 63 0.780 -11.041 -10.674 1.00 0.00 H new ATOM 0 HE1 PHE A 63 3.047 -12.775 -14.730 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.187 -10.605 -12.915 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.943 -11.475 -14.944 1.00 0.00 H new ATOM 995 N GLY A 64 4.184 -13.527 -7.831 1.00 0.00 N ATOM 996 CA GLY A 64 5.214 -14.037 -6.879 1.00 0.00 C ATOM 997 C GLY A 64 6.581 -14.038 -7.560 1.00 0.00 C ATOM 998 O GLY A 64 7.600 -14.253 -6.934 1.00 0.00 O ATOM 0 H GLY A 64 4.072 -12.513 -7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.241 -13.412 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.957 -15.045 -6.554 1.00 0.00 H new ATOM 1002 N ASP A 65 6.609 -13.798 -8.839 1.00 0.00 N ATOM 1003 CA ASP A 65 7.909 -13.781 -9.568 1.00 0.00 C ATOM 1004 C ASP A 65 8.701 -15.045 -9.228 1.00 0.00 C ATOM 1005 O ASP A 65 9.695 -14.998 -8.531 1.00 0.00 O ATOM 1006 CB ASP A 65 8.713 -12.547 -9.152 1.00 0.00 C ATOM 1007 CG ASP A 65 7.937 -11.282 -9.523 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.765 -11.402 -9.839 1.00 0.00 O ATOM 1009 OD2 ASP A 65 8.529 -10.217 -9.485 1.00 0.00 O ATOM 0 H ASP A 65 5.787 -13.612 -9.414 1.00 0.00 H new ATOM 0 HA ASP A 65 7.722 -13.747 -10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.902 -12.568 -8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.684 -12.549 -9.647 1.00 0.00 H new ATOM 1014 N VAL A 66 8.269 -16.177 -9.715 1.00 0.00 N ATOM 1015 CA VAL A 66 8.998 -17.442 -9.419 1.00 0.00 C ATOM 1016 C VAL A 66 10.216 -17.556 -10.337 1.00 0.00 C ATOM 1017 O VAL A 66 10.662 -16.532 -10.828 1.00 0.00 O ATOM 1018 CB VAL A 66 8.068 -18.633 -9.654 1.00 0.00 C ATOM 1019 CG1 VAL A 66 6.822 -18.488 -8.780 1.00 0.00 C ATOM 1020 CG2 VAL A 66 7.656 -18.673 -11.127 1.00 0.00 C ATOM 1021 OXT VAL A 66 10.683 -18.666 -10.535 1.00 0.00 O ATOM 0 H VAL A 66 7.443 -16.280 -10.305 1.00 0.00 H new ATOM 0 HA VAL A 66 9.327 -17.437 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 66 8.587 -19.556 -9.395 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.159 -19.337 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.115 -18.458 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.302 -17.565 -9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.993 -19.521 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.137 -17.750 -11.385 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.544 -18.776 -11.751 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.825 7.904 3.053 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -4.266 -9.024 -0.219 1.00 0.00 ZN