USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 430 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 Set 1.1: A 13 THR OG1 : rot 180:sc= 0.123! USER MOD Set 1.2: A 14 THR OG1 : rot 150:sc=-0.00922 USER MOD Set 1.3: A 56 LYS NZ :NH3+ -139:sc= -0.225 (180deg=-0.703) USER MOD Single : A 1 ARG N :NH3+ 172:sc= 1.21 (180deg=0.924) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.433 USER MOD Single : A 5 ASN :FLIP amide:sc= -1.54 F(o=-3.1!,f=-1.5) USER MOD Single : A 6 HIS : no HE2:sc= -15.7! C(o=-16!,f=-24!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0683 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.63! X(o=-1.6!,f=-1.2) USER MOD Single : A 21 SER OG : rot 85:sc= 0.0828 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= -0.0562 (180deg=-0.96) USER MOD Single : A 25 ASN : amide:sc= -13.8! C(o=-14!,f=-18!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.17 K(o=-0.17,f=-5.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 76:sc= 1.05 USER MOD Single : A 58 ASN : amide:sc= -7.08! C(o=-7.1!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.388 11.850 3.104 1.00 0.00 N ATOM 2 CA ARG A 1 1.498 12.703 2.266 1.00 0.00 C ATOM 3 C ARG A 1 0.201 11.949 1.981 1.00 0.00 C ATOM 4 O ARG A 1 -0.302 11.228 2.816 1.00 0.00 O ATOM 5 CB ARG A 1 2.199 13.018 0.943 1.00 0.00 C ATOM 6 CG ARG A 1 2.232 11.762 0.051 1.00 0.00 C ATOM 7 CD ARG A 1 3.614 11.136 0.096 1.00 0.00 C ATOM 8 NE ARG A 1 4.561 11.917 -0.753 1.00 0.00 N ATOM 9 CZ ARG A 1 4.880 13.146 -0.444 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.318 13.434 0.751 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.765 14.089 -1.339 1.00 0.00 N ATOM 0 H1 ARG A 1 3.322 12.300 3.188 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.971 11.738 4.050 1.00 0.00 H new ATOM 0 H3 ARG A 1 2.493 10.916 2.659 1.00 0.00 H new ATOM 0 HA ARG A 1 1.276 13.631 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.677 13.825 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.214 13.365 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.486 11.044 0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.976 12.026 -0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.975 11.107 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.566 10.105 -0.254 1.00 0.00 H new ATOM 0 HE ARG A 1 4.964 11.486 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.413 12.698 1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.565 14.395 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.427 13.865 -2.275 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.013 15.050 -1.102 1.00 0.00 H new ATOM 27 N ILE A 2 -0.337 12.083 0.798 1.00 0.00 N ATOM 28 CA ILE A 2 -1.584 11.340 0.478 1.00 0.00 C ATOM 29 C ILE A 2 -1.231 10.060 -0.242 1.00 0.00 C ATOM 30 O ILE A 2 -1.084 10.042 -1.444 1.00 0.00 O ATOM 31 CB ILE A 2 -2.472 12.168 -0.429 1.00 0.00 C ATOM 32 CG1 ILE A 2 -2.852 13.433 0.316 1.00 0.00 C ATOM 33 CG2 ILE A 2 -3.726 11.362 -0.765 1.00 0.00 C ATOM 34 CD1 ILE A 2 -2.177 14.644 -0.331 1.00 0.00 C ATOM 0 H ILE A 2 0.030 12.669 0.048 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.110 11.125 1.408 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.956 12.423 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.934 13.560 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.551 13.354 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.372 11.949 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.441 10.440 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.261 11.121 0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.455 15.548 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.095 14.519 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.499 14.729 -1.369 1.00 0.00 H new ATOM 46 N CYS A 3 -1.111 8.979 0.462 1.00 0.00 N ATOM 47 CA CYS A 3 -0.787 7.718 -0.238 1.00 0.00 C ATOM 48 C CYS A 3 -2.068 6.904 -0.378 1.00 0.00 C ATOM 49 O CYS A 3 -3.094 7.257 0.167 1.00 0.00 O ATOM 50 CB CYS A 3 0.254 6.905 0.544 1.00 0.00 C ATOM 51 SG CYS A 3 1.854 7.756 0.541 1.00 0.00 S ATOM 0 H CYS A 3 -1.221 8.913 1.474 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.368 7.949 -1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.085 6.759 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.361 5.916 0.099 1.00 0.00 H new ATOM 56 N TYR A 4 -2.032 5.815 -1.093 1.00 0.00 N ATOM 57 CA TYR A 4 -3.271 5.010 -1.233 1.00 0.00 C ATOM 58 C TYR A 4 -3.430 4.138 0.006 1.00 0.00 C ATOM 59 O TYR A 4 -2.481 3.575 0.505 1.00 0.00 O ATOM 60 CB TYR A 4 -3.193 4.118 -2.474 1.00 0.00 C ATOM 61 CG TYR A 4 -3.679 4.884 -3.681 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.043 4.896 -3.998 1.00 0.00 C ATOM 63 CD2 TYR A 4 -2.769 5.580 -4.484 1.00 0.00 C ATOM 64 CE1 TYR A 4 -5.495 5.605 -5.118 1.00 0.00 C ATOM 65 CE2 TYR A 4 -3.220 6.287 -5.604 1.00 0.00 C ATOM 66 CZ TYR A 4 -4.584 6.301 -5.922 1.00 0.00 C ATOM 67 OH TYR A 4 -5.029 6.998 -7.027 1.00 0.00 O ATOM 0 H TYR A 4 -1.211 5.454 -1.579 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.125 5.680 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.167 3.785 -2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.799 3.224 -2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.746 4.359 -3.379 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.717 5.572 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.547 5.615 -5.362 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.516 6.822 -6.224 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.268 7.425 -7.473 1.00 0.00 H new ATOM 77 N ASN A 5 -4.626 4.023 0.497 1.00 0.00 N ATOM 78 CA ASN A 5 -4.880 3.186 1.693 1.00 0.00 C ATOM 79 C ASN A 5 -5.728 2.002 1.253 1.00 0.00 C ATOM 80 O ASN A 5 -5.687 0.934 1.829 1.00 0.00 O ATOM 81 CB ASN A 5 -5.649 4.011 2.732 1.00 0.00 C ATOM 82 CG ASN A 5 -6.392 3.083 3.699 1.00 0.00 C ATOM 83 OD1 ASN A 5 -5.872 1.926 4.004 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.457 3.416 4.181 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.452 4.482 0.113 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.944 2.844 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.958 4.647 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.358 4.670 2.231 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.864 4.320 3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.944 2.791 4.824 1.00 0.00 H new ATOM 91 N HIS A 6 -6.512 2.199 0.236 1.00 0.00 N ATOM 92 CA HIS A 6 -7.386 1.114 -0.238 1.00 0.00 C ATOM 93 C HIS A 6 -6.562 -0.148 -0.485 1.00 0.00 C ATOM 94 O HIS A 6 -5.507 -0.107 -1.086 1.00 0.00 O ATOM 95 CB HIS A 6 -8.108 1.570 -1.525 1.00 0.00 C ATOM 96 CG HIS A 6 -7.308 1.223 -2.758 1.00 0.00 C ATOM 97 ND1 HIS A 6 -6.916 2.185 -3.675 1.00 0.00 N ATOM 98 CD2 HIS A 6 -6.837 0.029 -3.247 1.00 0.00 C ATOM 99 CE1 HIS A 6 -6.244 1.560 -4.657 1.00 0.00 C ATOM 100 NE2 HIS A 6 -6.165 0.244 -4.445 1.00 0.00 N ATOM 0 H HIS A 6 -6.581 3.072 -0.286 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.135 0.882 0.519 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.089 1.097 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.275 2.647 -1.489 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -7.103 3.186 -3.616 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.969 -0.932 -2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.819 2.062 -5.514 1.00 0.00 H new ATOM 108 N LEU A 7 -7.036 -1.274 -0.027 1.00 0.00 N ATOM 109 CA LEU A 7 -6.282 -2.532 -0.249 1.00 0.00 C ATOM 110 C LEU A 7 -6.934 -3.312 -1.384 1.00 0.00 C ATOM 111 O LEU A 7 -8.142 -3.395 -1.487 1.00 0.00 O ATOM 112 CB LEU A 7 -6.264 -3.397 1.022 1.00 0.00 C ATOM 113 CG LEU A 7 -7.285 -2.883 2.040 1.00 0.00 C ATOM 114 CD1 LEU A 7 -8.696 -3.268 1.593 1.00 0.00 C ATOM 115 CD2 LEU A 7 -6.998 -3.509 3.407 1.00 0.00 C ATOM 0 H LEU A 7 -7.910 -1.374 0.489 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.253 -2.280 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.488 -4.433 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.267 -3.385 1.462 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.211 -1.798 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.421 -2.901 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.903 -2.825 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.772 -4.353 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.724 -3.144 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.072 -4.594 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.993 -3.235 3.729 1.00 0.00 H new ATOM 127 N GLY A 8 -6.140 -3.886 -2.237 1.00 0.00 N ATOM 128 CA GLY A 8 -6.708 -4.666 -3.371 1.00 0.00 C ATOM 129 C GLY A 8 -6.671 -3.835 -4.646 1.00 0.00 C ATOM 130 O GLY A 8 -5.683 -3.205 -4.964 1.00 0.00 O ATOM 0 H GLY A 8 -5.121 -3.850 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.140 -5.586 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.734 -4.956 -3.146 1.00 0.00 H new ATOM 134 N THR A 9 -7.740 -3.843 -5.388 1.00 0.00 N ATOM 135 CA THR A 9 -7.766 -3.069 -6.652 1.00 0.00 C ATOM 136 C THR A 9 -8.383 -1.689 -6.417 1.00 0.00 C ATOM 137 O THR A 9 -7.712 -0.763 -6.010 1.00 0.00 O ATOM 138 CB THR A 9 -8.583 -3.831 -7.699 1.00 0.00 C ATOM 139 OG1 THR A 9 -9.515 -4.678 -7.042 1.00 0.00 O ATOM 140 CG2 THR A 9 -7.647 -4.675 -8.565 1.00 0.00 C ATOM 0 H THR A 9 -8.596 -4.353 -5.172 1.00 0.00 H new ATOM 0 HA THR A 9 -6.745 -2.938 -7.010 1.00 0.00 H new ATOM 0 HB THR A 9 -9.117 -3.122 -8.331 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.041 -5.166 -7.710 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.230 -5.217 -9.310 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.931 -4.025 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.112 -5.386 -7.936 1.00 0.00 H new ATOM 148 N LYS A 10 -9.648 -1.530 -6.699 1.00 0.00 N ATOM 149 CA LYS A 10 -10.277 -0.187 -6.518 1.00 0.00 C ATOM 150 C LYS A 10 -11.474 -0.158 -5.531 1.00 0.00 C ATOM 151 O LYS A 10 -12.249 0.776 -5.592 1.00 0.00 O ATOM 152 CB LYS A 10 -10.754 0.316 -7.881 1.00 0.00 C ATOM 153 CG LYS A 10 -11.926 -0.540 -8.363 1.00 0.00 C ATOM 154 CD LYS A 10 -11.454 -1.473 -9.480 1.00 0.00 C ATOM 155 CE LYS A 10 -12.151 -1.097 -10.790 1.00 0.00 C ATOM 156 NZ LYS A 10 -12.957 -2.255 -11.273 1.00 0.00 N ATOM 0 H LYS A 10 -10.269 -2.262 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.509 0.452 -6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.059 1.360 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.938 0.272 -8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.329 -1.123 -7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.732 0.099 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.373 -1.399 -9.597 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.677 -2.508 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.795 -0.231 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.412 -0.816 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.431 -2.001 -12.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.332 -3.070 -11.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.671 -2.503 -10.559 1.00 0.00 H new ATOM 170 N PRO A 11 -11.628 -1.124 -4.646 1.00 0.00 N ATOM 171 CA PRO A 11 -12.757 -1.091 -3.697 1.00 0.00 C ATOM 172 C PRO A 11 -12.655 0.085 -2.680 1.00 0.00 C ATOM 173 O PRO A 11 -13.398 1.038 -2.800 1.00 0.00 O ATOM 174 CB PRO A 11 -12.790 -2.512 -3.106 1.00 0.00 C ATOM 175 CG PRO A 11 -11.400 -3.152 -3.387 1.00 0.00 C ATOM 176 CD PRO A 11 -10.738 -2.302 -4.494 1.00 0.00 C ATOM 0 HA PRO A 11 -13.716 -0.865 -4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.991 -2.480 -2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.586 -3.101 -3.562 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.787 -3.159 -2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.508 -4.188 -3.707 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.728 -2.002 -4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.657 -2.860 -5.427 1.00 0.00 H new ATOM 184 N PRO A 12 -11.746 0.019 -1.751 1.00 0.00 N ATOM 185 CA PRO A 12 -11.533 1.098 -0.755 1.00 0.00 C ATOM 186 C PRO A 12 -10.959 2.369 -1.414 1.00 0.00 C ATOM 187 O PRO A 12 -11.114 2.570 -2.602 1.00 0.00 O ATOM 188 CB PRO A 12 -10.590 0.457 0.266 1.00 0.00 C ATOM 189 CG PRO A 12 -9.925 -0.746 -0.450 1.00 0.00 C ATOM 190 CD PRO A 12 -10.857 -1.123 -1.603 1.00 0.00 C ATOM 0 HA PRO A 12 -12.452 1.448 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.839 1.172 0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.138 0.129 1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.935 -0.480 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.795 -1.584 0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.297 -1.310 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.415 -2.032 -1.379 1.00 0.00 H new ATOM 198 N THR A 13 -10.340 3.258 -0.663 1.00 0.00 N ATOM 199 CA THR A 13 -9.835 4.520 -1.304 1.00 0.00 C ATOM 200 C THR A 13 -8.474 4.965 -0.737 1.00 0.00 C ATOM 201 O THR A 13 -7.820 4.252 -0.003 1.00 0.00 O ATOM 202 CB THR A 13 -10.857 5.633 -1.065 1.00 0.00 C ATOM 203 OG1 THR A 13 -10.416 6.824 -1.705 1.00 0.00 O ATOM 204 CG2 THR A 13 -11.007 5.875 0.440 1.00 0.00 C ATOM 0 H THR A 13 -10.167 3.169 0.338 1.00 0.00 H new ATOM 0 HA THR A 13 -9.700 4.322 -2.367 1.00 0.00 H new ATOM 0 HB THR A 13 -11.822 5.339 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.070 7.538 -1.554 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.735 6.668 0.610 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.348 4.960 0.924 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.045 6.170 0.859 1.00 0.00 H new ATOM 212 N THR A 14 -8.050 6.159 -1.105 1.00 0.00 N ATOM 213 CA THR A 14 -6.734 6.699 -0.636 1.00 0.00 C ATOM 214 C THR A 14 -6.831 7.240 0.792 1.00 0.00 C ATOM 215 O THR A 14 -7.889 7.296 1.386 1.00 0.00 O ATOM 216 CB THR A 14 -6.300 7.850 -1.547 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.370 8.772 -1.689 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.911 7.305 -2.916 1.00 0.00 C ATOM 0 H THR A 14 -8.570 6.786 -1.718 1.00 0.00 H new ATOM 0 HA THR A 14 -6.012 5.883 -0.663 1.00 0.00 H new ATOM 0 HB THR A 14 -5.441 8.355 -1.104 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.009 9.672 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.603 8.128 -3.561 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.086 6.601 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.766 6.796 -3.361 1.00 0.00 H new ATOM 226 N GLU A 15 -5.714 7.664 1.329 1.00 0.00 N ATOM 227 CA GLU A 15 -5.694 8.237 2.709 1.00 0.00 C ATOM 228 C GLU A 15 -4.495 9.193 2.833 1.00 0.00 C ATOM 229 O GLU A 15 -3.704 9.326 1.920 1.00 0.00 O ATOM 230 CB GLU A 15 -5.594 7.102 3.746 1.00 0.00 C ATOM 231 CG GLU A 15 -4.127 6.793 4.079 1.00 0.00 C ATOM 232 CD GLU A 15 -3.707 7.588 5.313 1.00 0.00 C ATOM 233 OE1 GLU A 15 -4.542 8.298 5.848 1.00 0.00 O ATOM 234 OE2 GLU A 15 -2.558 7.474 5.704 1.00 0.00 O ATOM 0 H GLU A 15 -4.806 7.637 0.865 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.615 8.790 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.125 7.386 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.080 6.206 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.001 5.726 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.489 7.050 3.233 1.00 0.00 H new ATOM 241 N THR A 16 -4.345 9.851 3.952 1.00 0.00 N ATOM 242 CA THR A 16 -3.186 10.780 4.115 1.00 0.00 C ATOM 243 C THR A 16 -2.269 10.256 5.218 1.00 0.00 C ATOM 244 O THR A 16 -2.715 9.744 6.225 1.00 0.00 O ATOM 245 CB THR A 16 -3.681 12.175 4.495 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.963 12.396 3.925 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.697 13.224 3.975 1.00 0.00 C ATOM 0 H THR A 16 -4.970 9.787 4.756 1.00 0.00 H new ATOM 0 HA THR A 16 -2.641 10.837 3.173 1.00 0.00 H new ATOM 0 HB THR A 16 -3.752 12.253 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.280 13.290 4.171 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.049 14.219 4.246 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.716 13.054 4.418 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.623 13.148 2.890 1.00 0.00 H new ATOM 255 N CYS A 17 -0.987 10.366 5.027 1.00 0.00 N ATOM 256 CA CYS A 17 -0.032 9.856 6.048 1.00 0.00 C ATOM 257 C CYS A 17 1.163 10.799 6.187 1.00 0.00 C ATOM 258 O CYS A 17 1.240 11.826 5.544 1.00 0.00 O ATOM 259 CB CYS A 17 0.476 8.501 5.586 1.00 0.00 C ATOM 260 SG CYS A 17 0.377 7.302 6.930 1.00 0.00 S ATOM 0 H CYS A 17 -0.557 10.789 4.205 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.539 9.784 7.010 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.113 8.155 4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.507 8.589 5.244 1.00 0.00 H new ATOM 265 N GLN A 18 2.101 10.444 7.026 1.00 0.00 N ATOM 266 CA GLN A 18 3.303 11.302 7.210 1.00 0.00 C ATOM 267 C GLN A 18 4.454 10.812 6.342 1.00 0.00 C ATOM 268 O GLN A 18 5.204 11.590 5.785 1.00 0.00 O ATOM 269 CB GLN A 18 3.770 11.242 8.654 1.00 0.00 C ATOM 270 CG GLN A 18 4.949 12.201 8.820 1.00 0.00 C ATOM 271 CD GLN A 18 4.537 13.597 8.341 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.194 14.449 9.138 1.00 0.00 O ATOM 273 NE2 GLN A 18 4.559 13.868 7.061 1.00 0.00 N ATOM 0 H GLN A 18 2.084 9.595 7.591 1.00 0.00 H new ATOM 0 HA GLN A 18 3.026 12.319 6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.958 11.519 9.327 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.068 10.226 8.914 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.258 12.239 9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.805 11.845 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.847 13.153 6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.288 14.794 6.731 1.00 0.00 H new ATOM 282 N GLU A 19 4.626 9.525 6.254 1.00 0.00 N ATOM 283 CA GLU A 19 5.770 8.996 5.451 1.00 0.00 C ATOM 284 C GLU A 19 5.556 9.360 3.989 1.00 0.00 C ATOM 285 O GLU A 19 4.526 9.077 3.409 1.00 0.00 O ATOM 286 CB GLU A 19 5.893 7.463 5.557 1.00 0.00 C ATOM 287 CG GLU A 19 5.122 6.939 6.771 1.00 0.00 C ATOM 288 CD GLU A 19 5.775 5.650 7.273 1.00 0.00 C ATOM 289 OE1 GLU A 19 6.796 5.273 6.721 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.244 5.062 8.200 1.00 0.00 O ATOM 0 H GLU A 19 4.035 8.821 6.696 1.00 0.00 H new ATOM 0 HA GLU A 19 6.685 9.440 5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.509 6.999 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.943 7.183 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.116 7.688 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.083 6.752 6.502 1.00 0.00 H new ATOM 297 N ASP A 20 6.526 9.985 3.388 1.00 0.00 N ATOM 298 CA ASP A 20 6.371 10.363 1.954 1.00 0.00 C ATOM 299 C ASP A 20 6.304 9.090 1.127 1.00 0.00 C ATOM 300 O ASP A 20 5.957 9.108 -0.037 1.00 0.00 O ATOM 301 CB ASP A 20 7.538 11.224 1.444 1.00 0.00 C ATOM 302 CG ASP A 20 8.699 11.219 2.441 1.00 0.00 C ATOM 303 OD1 ASP A 20 8.464 11.546 3.593 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.800 10.889 2.036 1.00 0.00 O ATOM 0 H ASP A 20 7.412 10.249 3.820 1.00 0.00 H new ATOM 0 HA ASP A 20 5.460 10.954 1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.880 10.846 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.197 12.247 1.282 1.00 0.00 H new ATOM 309 N SER A 21 6.640 7.981 1.719 1.00 0.00 N ATOM 310 CA SER A 21 6.602 6.711 0.964 1.00 0.00 C ATOM 311 C SER A 21 5.179 6.143 0.984 1.00 0.00 C ATOM 312 O SER A 21 4.381 6.476 1.837 1.00 0.00 O ATOM 313 CB SER A 21 7.555 5.705 1.610 1.00 0.00 C ATOM 314 OG SER A 21 8.243 6.330 2.684 1.00 0.00 O ATOM 0 H SER A 21 6.938 7.903 2.691 1.00 0.00 H new ATOM 0 HA SER A 21 6.906 6.895 -0.066 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.998 4.842 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.268 5.337 0.872 1.00 0.00 H new ATOM 0 HG SER A 21 7.694 6.284 3.495 1.00 0.00 H new ATOM 320 N CYS A 22 4.869 5.258 0.078 1.00 0.00 N ATOM 321 CA CYS A 22 3.521 4.626 0.061 1.00 0.00 C ATOM 322 C CYS A 22 3.750 3.150 -0.241 1.00 0.00 C ATOM 323 O CYS A 22 4.343 2.812 -1.245 1.00 0.00 O ATOM 324 CB CYS A 22 2.642 5.243 -1.033 1.00 0.00 C ATOM 325 SG CYS A 22 2.851 7.045 -1.074 1.00 0.00 S ATOM 0 H CYS A 22 5.499 4.943 -0.659 1.00 0.00 H new ATOM 0 HA CYS A 22 3.011 4.776 1.013 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.905 4.818 -2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.596 4.996 -0.850 1.00 0.00 H new ATOM 330 N TYR A 23 3.334 2.258 0.612 1.00 0.00 N ATOM 331 CA TYR A 23 3.610 0.828 0.314 1.00 0.00 C ATOM 332 C TYR A 23 2.371 0.093 -0.149 1.00 0.00 C ATOM 333 O TYR A 23 1.278 0.255 0.356 1.00 0.00 O ATOM 334 CB TYR A 23 4.234 0.099 1.521 1.00 0.00 C ATOM 335 CG TYR A 23 3.200 -0.321 2.556 1.00 0.00 C ATOM 336 CD1 TYR A 23 2.012 0.400 2.742 1.00 0.00 C ATOM 337 CD2 TYR A 23 3.451 -1.450 3.349 1.00 0.00 C ATOM 338 CE1 TYR A 23 1.087 -0.016 3.713 1.00 0.00 C ATOM 339 CE2 TYR A 23 2.523 -1.858 4.315 1.00 0.00 C ATOM 340 CZ TYR A 23 1.344 -1.140 4.495 1.00 0.00 C ATOM 341 OH TYR A 23 0.429 -1.541 5.446 1.00 0.00 O ATOM 0 H TYR A 23 2.830 2.448 1.478 1.00 0.00 H new ATOM 0 HA TYR A 23 4.333 0.824 -0.502 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.769 -0.783 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.969 0.751 1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.809 1.273 2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.366 -2.008 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.171 0.539 3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.722 -2.730 4.921 1.00 0.00 H new ATOM 0 HH TYR A 23 0.761 -2.342 5.902 1.00 0.00 H new ATOM 351 N LYS A 24 2.562 -0.731 -1.125 1.00 0.00 N ATOM 352 CA LYS A 24 1.444 -1.539 -1.657 1.00 0.00 C ATOM 353 C LYS A 24 1.958 -2.948 -1.920 1.00 0.00 C ATOM 354 O LYS A 24 2.771 -3.184 -2.791 1.00 0.00 O ATOM 355 CB LYS A 24 0.904 -0.907 -2.927 1.00 0.00 C ATOM 356 CG LYS A 24 -0.019 -1.892 -3.632 1.00 0.00 C ATOM 357 CD LYS A 24 -0.500 -1.270 -4.936 1.00 0.00 C ATOM 358 CE LYS A 24 0.708 -0.881 -5.789 1.00 0.00 C ATOM 359 NZ LYS A 24 0.392 -1.098 -7.228 1.00 0.00 N ATOM 0 H LYS A 24 3.459 -0.883 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 24 0.626 -1.581 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.362 0.008 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.727 -0.628 -3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.507 -2.825 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.869 -2.135 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.130 -1.976 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.111 -0.391 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.967 0.164 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.575 -1.476 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.274 -1.251 -7.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.220 -1.933 -7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.099 -0.262 -7.606 1.00 0.00 H new ATOM 373 N ASN A 25 1.510 -3.875 -1.130 1.00 0.00 N ATOM 374 CA ASN A 25 1.976 -5.277 -1.260 1.00 0.00 C ATOM 375 C ASN A 25 0.783 -6.200 -1.487 1.00 0.00 C ATOM 376 O ASN A 25 -0.355 -5.797 -1.374 1.00 0.00 O ATOM 377 CB ASN A 25 2.683 -5.683 0.041 1.00 0.00 C ATOM 378 CG ASN A 25 3.432 -4.482 0.646 1.00 0.00 C ATOM 379 OD1 ASN A 25 4.634 -4.527 0.805 1.00 0.00 O ATOM 380 ND2 ASN A 25 2.775 -3.409 1.016 1.00 0.00 N ATOM 0 H ASN A 25 0.829 -3.718 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 25 2.660 -5.358 -2.105 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.952 -6.061 0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.384 -6.494 -0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.275 -2.623 1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.764 -3.360 0.887 1.00 0.00 H new ATOM 387 N ILE A 26 1.038 -7.441 -1.798 1.00 0.00 N ATOM 388 CA ILE A 26 -0.077 -8.401 -2.021 1.00 0.00 C ATOM 389 C ILE A 26 -0.302 -9.213 -0.743 1.00 0.00 C ATOM 390 O ILE A 26 -1.284 -9.914 -0.605 1.00 0.00 O ATOM 391 CB ILE A 26 0.284 -9.342 -3.173 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.406 -10.285 -2.734 1.00 0.00 C ATOM 393 CG2 ILE A 26 0.754 -8.520 -4.373 1.00 0.00 C ATOM 394 CD1 ILE A 26 0.801 -11.589 -2.210 1.00 0.00 C ATOM 0 H ILE A 26 1.974 -7.832 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.988 -7.858 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.593 -9.926 -3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.071 -10.491 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.009 -9.814 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.011 -9.189 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.044 -7.848 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.630 -7.936 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.600 -12.261 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.154 -11.374 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.217 -12.062 -2.999 1.00 0.00 H new ATOM 406 N TRP A 27 0.603 -9.119 0.196 1.00 0.00 N ATOM 407 CA TRP A 27 0.445 -9.878 1.468 1.00 0.00 C ATOM 408 C TRP A 27 -0.553 -9.153 2.371 1.00 0.00 C ATOM 409 O TRP A 27 -0.285 -8.075 2.865 1.00 0.00 O ATOM 410 CB TRP A 27 1.794 -9.963 2.183 1.00 0.00 C ATOM 411 CG TRP A 27 2.882 -10.197 1.184 1.00 0.00 C ATOM 412 CD1 TRP A 27 3.702 -9.241 0.689 1.00 0.00 C ATOM 413 CD2 TRP A 27 3.283 -11.448 0.556 1.00 0.00 C ATOM 414 NE1 TRP A 27 4.583 -9.828 -0.204 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.363 -11.187 -0.320 1.00 0.00 C ATOM 416 CE3 TRP A 27 2.818 -12.772 0.660 1.00 0.00 C ATOM 417 CZ2 TRP A 27 4.962 -12.202 -1.066 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.418 -13.796 -0.089 1.00 0.00 C ATOM 419 CH2 TRP A 27 4.487 -13.513 -0.951 1.00 0.00 C ATOM 0 H TRP A 27 1.446 -8.548 0.135 1.00 0.00 H new ATOM 0 HA TRP A 27 0.082 -10.882 1.247 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.984 -9.041 2.732 1.00 0.00 H new ATOM 0 HB3 TRP A 27 1.778 -10.772 2.914 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.674 -8.193 0.948 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.306 -9.319 -0.714 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.995 -13.002 1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.786 -11.978 -1.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.054 -14.809 -0.001 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.943 -14.306 -1.525 1.00 0.00 H new ATOM 430 N THR A 28 -1.699 -9.729 2.596 1.00 0.00 N ATOM 431 CA THR A 28 -2.701 -9.061 3.471 1.00 0.00 C ATOM 432 C THR A 28 -3.685 -10.099 4.017 1.00 0.00 C ATOM 433 O THR A 28 -4.188 -10.934 3.290 1.00 0.00 O ATOM 434 CB THR A 28 -3.451 -7.997 2.661 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.047 -7.062 3.549 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.537 -8.654 1.807 1.00 0.00 C ATOM 0 H THR A 28 -1.985 -10.630 2.214 1.00 0.00 H new ATOM 0 HA THR A 28 -2.194 -8.583 4.310 1.00 0.00 H new ATOM 0 HB THR A 28 -2.746 -7.485 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.526 -6.380 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.063 -7.889 1.236 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.079 -9.368 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.243 -9.174 2.454 1.00 0.00 H new ATOM 444 N PHE A 29 -3.968 -10.053 5.289 1.00 0.00 N ATOM 445 CA PHE A 29 -4.922 -11.036 5.876 1.00 0.00 C ATOM 446 C PHE A 29 -6.342 -10.474 5.790 1.00 0.00 C ATOM 447 O PHE A 29 -7.251 -10.951 6.440 1.00 0.00 O ATOM 448 CB PHE A 29 -4.560 -11.292 7.341 1.00 0.00 C ATOM 449 CG PHE A 29 -5.533 -12.281 7.937 1.00 0.00 C ATOM 450 CD1 PHE A 29 -5.442 -13.640 7.608 1.00 0.00 C ATOM 451 CD2 PHE A 29 -6.528 -11.840 8.818 1.00 0.00 C ATOM 452 CE1 PHE A 29 -6.346 -14.556 8.161 1.00 0.00 C ATOM 453 CE2 PHE A 29 -7.430 -12.755 9.371 1.00 0.00 C ATOM 454 CZ PHE A 29 -7.340 -14.113 9.043 1.00 0.00 C ATOM 0 H PHE A 29 -3.580 -9.378 5.948 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.866 -11.974 5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.543 -11.678 7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.586 -10.357 7.901 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.675 -13.981 6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.599 -10.792 9.071 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.277 -15.604 7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.196 -12.414 10.051 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.037 -14.819 9.470 1.00 0.00 H new ATOM 464 N ASP A 30 -6.540 -9.458 4.994 1.00 0.00 N ATOM 465 CA ASP A 30 -7.901 -8.866 4.870 1.00 0.00 C ATOM 466 C ASP A 30 -8.489 -9.221 3.503 1.00 0.00 C ATOM 467 O ASP A 30 -9.470 -9.932 3.405 1.00 0.00 O ATOM 468 CB ASP A 30 -7.812 -7.344 5.006 1.00 0.00 C ATOM 469 CG ASP A 30 -9.173 -6.792 5.432 1.00 0.00 C ATOM 470 OD1 ASP A 30 -10.144 -7.522 5.328 1.00 0.00 O ATOM 471 OD2 ASP A 30 -9.220 -5.648 5.855 1.00 0.00 O ATOM 0 H ASP A 30 -5.819 -9.014 4.426 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.542 -9.264 5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.053 -7.077 5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.508 -6.900 4.058 1.00 0.00 H new ATOM 476 N ASN A 31 -7.900 -8.734 2.445 1.00 0.00 N ATOM 477 CA ASN A 31 -8.432 -9.047 1.090 1.00 0.00 C ATOM 478 C ASN A 31 -7.297 -9.553 0.194 1.00 0.00 C ATOM 479 O ASN A 31 -7.192 -10.731 -0.081 1.00 0.00 O ATOM 480 CB ASN A 31 -9.051 -7.786 0.481 1.00 0.00 C ATOM 481 CG ASN A 31 -10.261 -8.173 -0.371 1.00 0.00 C ATOM 482 OD1 ASN A 31 -10.117 -8.806 -1.398 1.00 0.00 O ATOM 483 ND2 ASN A 31 -11.455 -7.818 0.015 1.00 0.00 N ATOM 0 H ASN A 31 -7.075 -8.134 2.461 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.195 -9.821 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.354 -7.099 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.314 -7.265 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.269 -8.072 -0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.575 -7.287 0.877 1.00 0.00 H new ATOM 490 N ILE A 32 -6.444 -8.675 -0.263 1.00 0.00 N ATOM 491 CA ILE A 32 -5.320 -9.118 -1.141 1.00 0.00 C ATOM 492 C ILE A 32 -4.192 -8.084 -1.101 1.00 0.00 C ATOM 493 O ILE A 32 -3.232 -8.224 -0.371 1.00 0.00 O ATOM 494 CB ILE A 32 -5.791 -9.282 -2.597 1.00 0.00 C ATOM 495 CG1 ILE A 32 -7.281 -8.944 -2.734 1.00 0.00 C ATOM 496 CG2 ILE A 32 -5.562 -10.725 -3.038 1.00 0.00 C ATOM 497 CD1 ILE A 32 -7.503 -7.457 -2.450 1.00 0.00 C ATOM 0 H ILE A 32 -6.476 -7.674 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.963 -10.079 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.221 -8.598 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.628 -9.188 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.866 -9.548 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.894 -10.847 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.501 -10.963 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.128 -11.397 -2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.563 -7.222 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.173 -7.227 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.932 -6.861 -3.162 1.00 0.00 H new ATOM 509 N ILE A 33 -4.298 -7.051 -1.892 1.00 0.00 N ATOM 510 CA ILE A 33 -3.228 -6.011 -1.913 1.00 0.00 C ATOM 511 C ILE A 33 -3.543 -4.922 -0.893 1.00 0.00 C ATOM 512 O ILE A 33 -4.681 -4.729 -0.514 1.00 0.00 O ATOM 513 CB ILE A 33 -3.160 -5.374 -3.301 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.526 -6.414 -4.356 1.00 0.00 C ATOM 515 CG2 ILE A 33 -1.748 -4.854 -3.560 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.632 -7.644 -4.196 1.00 0.00 C ATOM 0 H ILE A 33 -5.079 -6.882 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.275 -6.481 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.863 -4.542 -3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.573 -6.698 -4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.406 -5.992 -5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.703 -4.401 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.491 -4.108 -2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.040 -5.681 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.895 -8.386 -4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.589 -7.354 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.774 -8.070 -3.203 1.00 0.00 H new ATOM 528 N ARG A 34 -2.555 -4.188 -0.455 1.00 0.00 N ATOM 529 CA ARG A 34 -2.846 -3.101 0.516 1.00 0.00 C ATOM 530 C ARG A 34 -1.920 -1.914 0.296 1.00 0.00 C ATOM 531 O ARG A 34 -0.733 -1.974 0.550 1.00 0.00 O ATOM 532 CB ARG A 34 -2.695 -3.590 1.944 1.00 0.00 C ATOM 533 CG ARG A 34 -3.371 -2.575 2.863 1.00 0.00 C ATOM 534 CD ARG A 34 -3.872 -3.271 4.132 1.00 0.00 C ATOM 535 NE ARG A 34 -2.771 -3.342 5.134 1.00 0.00 N ATOM 536 CZ ARG A 34 -3.040 -3.613 6.383 1.00 0.00 C ATOM 537 NH1 ARG A 34 -3.372 -4.827 6.730 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.978 -2.671 7.285 1.00 0.00 N ATOM 0 H ARG A 34 -1.577 -4.293 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.877 -2.789 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.151 -4.573 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.641 -3.695 2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.668 -1.784 3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.205 -2.101 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.720 -2.726 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.225 -4.274 3.893 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.807 -3.179 4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.421 -5.563 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.582 -5.039 7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.719 -1.722 7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.188 -2.884 8.260 1.00 0.00 H new ATOM 552 N ARG A 35 -2.471 -0.823 -0.144 1.00 0.00 N ATOM 553 CA ARG A 35 -1.662 0.405 -0.361 1.00 0.00 C ATOM 554 C ARG A 35 -1.677 1.225 0.923 1.00 0.00 C ATOM 555 O ARG A 35 -2.681 1.310 1.596 1.00 0.00 O ATOM 556 CB ARG A 35 -2.267 1.231 -1.502 1.00 0.00 C ATOM 557 CG ARG A 35 -2.174 0.438 -2.805 1.00 0.00 C ATOM 558 CD ARG A 35 -3.561 0.329 -3.438 1.00 0.00 C ATOM 559 NE ARG A 35 -3.497 0.780 -4.858 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.482 -0.101 -5.821 1.00 0.00 C ATOM 561 NH1 ARG A 35 -4.505 -0.891 -6.002 1.00 0.00 N ATOM 562 NH2 ARG A 35 -2.441 -0.193 -6.603 1.00 0.00 N ATOM 0 H ARG A 35 -3.462 -0.727 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.639 0.135 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.308 1.469 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.737 2.178 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.486 0.929 -3.493 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.773 -0.557 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.915 -0.701 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.274 0.939 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.465 1.776 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.318 -0.821 -5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.491 -1.579 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.641 0.423 -6.461 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.428 -0.881 -7.356 1.00 0.00 H new ATOM 576 N GLY A 36 -0.578 1.827 1.273 1.00 0.00 N ATOM 577 CA GLY A 36 -0.550 2.641 2.519 1.00 0.00 C ATOM 578 C GLY A 36 0.558 3.685 2.447 1.00 0.00 C ATOM 579 O GLY A 36 0.914 4.170 1.391 1.00 0.00 O ATOM 0 H GLY A 36 0.299 1.792 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.512 3.132 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.392 1.993 3.381 1.00 0.00 H new ATOM 583 N CYS A 37 1.089 4.044 3.577 1.00 0.00 N ATOM 584 CA CYS A 37 2.155 5.075 3.613 1.00 0.00 C ATOM 585 C CYS A 37 3.404 4.517 4.276 1.00 0.00 C ATOM 586 O CYS A 37 3.397 4.159 5.437 1.00 0.00 O ATOM 587 CB CYS A 37 1.658 6.253 4.436 1.00 0.00 C ATOM 588 SG CYS A 37 1.209 5.673 6.093 1.00 0.00 S ATOM 0 H CYS A 37 0.827 3.663 4.486 1.00 0.00 H new ATOM 0 HA CYS A 37 2.394 5.382 2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.432 7.018 4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.796 6.712 3.952 1.00 0.00 H new ATOM 593 N GLY A 38 4.483 4.443 3.559 1.00 0.00 N ATOM 594 CA GLY A 38 5.719 3.914 4.165 1.00 0.00 C ATOM 595 C GLY A 38 5.819 2.439 3.830 1.00 0.00 C ATOM 596 O GLY A 38 4.832 1.735 3.775 1.00 0.00 O ATOM 0 H GLY A 38 4.559 4.726 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.588 4.450 3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.704 4.058 5.245 1.00 0.00 H new ATOM 600 N CYS A 39 7.000 1.969 3.609 1.00 0.00 N ATOM 601 CA CYS A 39 7.165 0.529 3.271 1.00 0.00 C ATOM 602 C CYS A 39 6.684 -0.305 4.452 1.00 0.00 C ATOM 603 O CYS A 39 6.698 0.139 5.583 1.00 0.00 O ATOM 604 CB CYS A 39 8.634 0.219 2.990 1.00 0.00 C ATOM 605 SG CYS A 39 9.309 1.464 1.868 1.00 0.00 S ATOM 0 H CYS A 39 7.863 2.512 3.646 1.00 0.00 H new ATOM 0 HA CYS A 39 6.583 0.293 2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.199 0.209 3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.729 -0.773 2.549 1.00 0.00 H new ATOM 610 N PHE A 40 6.251 -1.507 4.207 1.00 0.00 N ATOM 611 CA PHE A 40 5.762 -2.351 5.336 1.00 0.00 C ATOM 612 C PHE A 40 6.920 -2.650 6.301 1.00 0.00 C ATOM 613 O PHE A 40 8.061 -2.322 6.042 1.00 0.00 O ATOM 614 CB PHE A 40 5.172 -3.663 4.802 1.00 0.00 C ATOM 615 CG PHE A 40 6.090 -4.305 3.789 1.00 0.00 C ATOM 616 CD1 PHE A 40 7.384 -3.813 3.577 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.636 -5.404 3.056 1.00 0.00 C ATOM 618 CE1 PHE A 40 8.221 -4.416 2.643 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.473 -6.010 2.119 1.00 0.00 C ATOM 620 CZ PHE A 40 7.769 -5.518 1.912 1.00 0.00 C ATOM 0 H PHE A 40 6.213 -1.941 3.285 1.00 0.00 H new ATOM 0 HA PHE A 40 4.982 -1.809 5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.002 -4.351 5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.202 -3.469 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.734 -2.961 4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.638 -5.784 3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.218 -4.033 2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.122 -6.860 1.552 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.417 -5.990 1.189 1.00 0.00 H new ATOM 630 N THR A 41 6.628 -3.227 7.437 1.00 0.00 N ATOM 631 CA THR A 41 7.707 -3.498 8.436 1.00 0.00 C ATOM 632 C THR A 41 8.526 -4.759 8.093 1.00 0.00 C ATOM 633 O THR A 41 9.736 -4.742 8.215 1.00 0.00 O ATOM 634 CB THR A 41 7.090 -3.648 9.833 1.00 0.00 C ATOM 635 OG1 THR A 41 6.551 -2.401 10.246 1.00 0.00 O ATOM 636 CG2 THR A 41 8.169 -4.090 10.825 1.00 0.00 C ATOM 0 H THR A 41 5.693 -3.522 7.717 1.00 0.00 H new ATOM 0 HA THR A 41 8.392 -2.650 8.413 1.00 0.00 H new ATOM 0 HB THR A 41 6.298 -4.396 9.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.155 -2.495 11.137 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.730 -4.196 11.817 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.585 -5.046 10.508 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.962 -3.343 10.857 1.00 0.00 H new ATOM 644 N PRO A 42 7.863 -5.822 7.711 1.00 0.00 N ATOM 645 CA PRO A 42 8.534 -7.093 7.392 1.00 0.00 C ATOM 646 C PRO A 42 9.068 -7.090 5.956 1.00 0.00 C ATOM 647 O PRO A 42 8.862 -8.022 5.206 1.00 0.00 O ATOM 648 CB PRO A 42 7.420 -8.130 7.563 1.00 0.00 C ATOM 649 CG PRO A 42 6.081 -7.366 7.407 1.00 0.00 C ATOM 650 CD PRO A 42 6.403 -5.866 7.552 1.00 0.00 C ATOM 0 HA PRO A 42 9.400 -7.288 8.024 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.506 -8.919 6.816 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.482 -8.609 8.540 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.629 -7.572 6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.365 -7.683 8.165 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.081 -5.304 6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.896 -5.432 8.413 1.00 0.00 H new ATOM 658 N ARG A 43 9.753 -6.049 5.570 1.00 0.00 N ATOM 659 CA ARG A 43 10.301 -5.986 4.186 1.00 0.00 C ATOM 660 C ARG A 43 11.371 -7.058 4.003 1.00 0.00 C ATOM 661 O ARG A 43 11.474 -7.993 4.771 1.00 0.00 O ATOM 662 CB ARG A 43 10.927 -4.612 3.946 1.00 0.00 C ATOM 663 CG ARG A 43 12.227 -4.496 4.745 1.00 0.00 C ATOM 664 CD ARG A 43 12.138 -3.299 5.693 1.00 0.00 C ATOM 665 NE ARG A 43 13.199 -2.311 5.348 1.00 0.00 N ATOM 666 CZ ARG A 43 14.202 -2.121 6.160 1.00 0.00 C ATOM 667 NH1 ARG A 43 13.983 -1.768 7.398 1.00 0.00 N ATOM 668 NH2 ARG A 43 15.425 -2.288 5.737 1.00 0.00 N ATOM 0 H ARG A 43 9.957 -5.238 6.154 1.00 0.00 H new ATOM 0 HA ARG A 43 9.491 -6.154 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.127 -4.472 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.233 -3.827 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.401 -5.410 5.312 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.073 -4.375 4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.155 -2.834 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.256 -3.629 6.725 1.00 0.00 H new ATOM 0 HE ARG A 43 13.141 -1.783 4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.027 -1.641 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.768 -1.620 8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.597 -2.567 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.209 -2.139 6.372 1.00 0.00 H new ATOM 682 N GLY A 44 12.171 -6.921 2.984 1.00 0.00 N ATOM 683 CA GLY A 44 13.239 -7.914 2.735 1.00 0.00 C ATOM 684 C GLY A 44 13.341 -8.184 1.232 1.00 0.00 C ATOM 685 O GLY A 44 12.716 -7.522 0.429 1.00 0.00 O ATOM 0 H GLY A 44 12.127 -6.156 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.191 -7.543 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.022 -8.840 3.268 1.00 0.00 H new ATOM 689 N ASP A 45 14.122 -9.154 0.844 1.00 0.00 N ATOM 690 CA ASP A 45 14.254 -9.463 -0.607 1.00 0.00 C ATOM 691 C ASP A 45 13.229 -10.529 -1.000 1.00 0.00 C ATOM 692 O ASP A 45 13.168 -10.957 -2.135 1.00 0.00 O ATOM 693 CB ASP A 45 15.665 -9.982 -0.891 1.00 0.00 C ATOM 694 CG ASP A 45 16.040 -11.040 0.149 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.201 -11.874 0.448 1.00 0.00 O ATOM 696 OD2 ASP A 45 17.161 -10.997 0.629 1.00 0.00 O ATOM 0 H ASP A 45 14.673 -9.744 1.467 1.00 0.00 H new ATOM 0 HA ASP A 45 14.075 -8.558 -1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.712 -10.409 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.379 -9.159 -0.862 1.00 0.00 H new ATOM 701 N MET A 46 12.422 -10.963 -0.069 1.00 0.00 N ATOM 702 CA MET A 46 11.402 -12.001 -0.389 1.00 0.00 C ATOM 703 C MET A 46 10.184 -11.351 -1.057 1.00 0.00 C ATOM 704 O MET A 46 9.738 -11.799 -2.095 1.00 0.00 O ATOM 705 CB MET A 46 10.963 -12.704 0.898 1.00 0.00 C ATOM 706 CG MET A 46 11.457 -14.152 0.881 1.00 0.00 C ATOM 707 SD MET A 46 11.052 -14.945 2.457 1.00 0.00 S ATOM 708 CE MET A 46 12.310 -16.244 2.384 1.00 0.00 C ATOM 0 H MET A 46 12.426 -10.643 0.899 1.00 0.00 H new ATOM 0 HA MET A 46 11.839 -12.730 -1.072 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.365 -12.181 1.766 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.877 -12.680 0.986 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.994 -14.696 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 46 12.534 -14.178 0.714 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.242 -16.867 3.276 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.147 -16.859 1.499 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.300 -15.790 2.333 1.00 0.00 H new ATOM 718 N PRO A 47 9.678 -10.316 -0.434 1.00 0.00 N ATOM 719 CA PRO A 47 8.503 -9.583 -0.933 1.00 0.00 C ATOM 720 C PRO A 47 8.899 -8.597 -2.032 1.00 0.00 C ATOM 721 O PRO A 47 10.016 -8.122 -2.090 1.00 0.00 O ATOM 722 CB PRO A 47 7.990 -8.844 0.306 1.00 0.00 C ATOM 723 CG PRO A 47 9.186 -8.742 1.284 1.00 0.00 C ATOM 724 CD PRO A 47 10.225 -9.784 0.827 1.00 0.00 C ATOM 0 HA PRO A 47 7.753 -10.237 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.620 -7.854 0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.160 -9.383 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.612 -7.739 1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.866 -8.938 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.204 -9.329 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.351 -10.572 1.570 1.00 0.00 H new ATOM 732 N GLY A 48 7.978 -8.282 -2.898 1.00 0.00 N ATOM 733 CA GLY A 48 8.266 -7.323 -3.994 1.00 0.00 C ATOM 734 C GLY A 48 7.060 -6.395 -4.166 1.00 0.00 C ATOM 735 O GLY A 48 6.436 -6.375 -5.208 1.00 0.00 O ATOM 0 H GLY A 48 7.028 -8.653 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.159 -6.743 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.465 -7.859 -4.922 1.00 0.00 H new ATOM 739 N PRO A 49 6.762 -5.663 -3.121 1.00 0.00 N ATOM 740 CA PRO A 49 5.623 -4.727 -3.098 1.00 0.00 C ATOM 741 C PRO A 49 5.952 -3.447 -3.856 1.00 0.00 C ATOM 742 O PRO A 49 6.846 -3.409 -4.678 1.00 0.00 O ATOM 743 CB PRO A 49 5.429 -4.435 -1.613 1.00 0.00 C ATOM 744 CG PRO A 49 6.772 -4.746 -0.930 1.00 0.00 C ATOM 745 CD PRO A 49 7.534 -5.700 -1.862 1.00 0.00 C ATOM 0 HA PRO A 49 4.732 -5.137 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.145 -3.394 -1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.630 -5.050 -1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.342 -3.832 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.612 -5.205 0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.562 -5.372 -2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.579 -6.708 -1.451 1.00 0.00 H new ATOM 753 N TYR A 50 5.227 -2.397 -3.594 1.00 0.00 N ATOM 754 CA TYR A 50 5.495 -1.129 -4.311 1.00 0.00 C ATOM 755 C TYR A 50 5.616 0.042 -3.329 1.00 0.00 C ATOM 756 O TYR A 50 4.682 0.795 -3.131 1.00 0.00 O ATOM 757 CB TYR A 50 4.359 -0.852 -5.296 1.00 0.00 C ATOM 758 CG TYR A 50 4.935 -0.642 -6.678 1.00 0.00 C ATOM 759 CD1 TYR A 50 5.186 -1.743 -7.506 1.00 0.00 C ATOM 760 CD2 TYR A 50 5.221 0.652 -7.128 1.00 0.00 C ATOM 761 CE1 TYR A 50 5.722 -1.548 -8.784 1.00 0.00 C ATOM 762 CE2 TYR A 50 5.757 0.846 -8.407 1.00 0.00 C ATOM 763 CZ TYR A 50 6.008 -0.254 -9.234 1.00 0.00 C ATOM 764 OH TYR A 50 6.538 -0.062 -10.494 1.00 0.00 O ATOM 0 H TYR A 50 4.465 -2.365 -2.917 1.00 0.00 H new ATOM 0 HA TYR A 50 6.439 -1.228 -4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.658 -1.687 -5.305 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.800 0.030 -4.985 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.966 -2.742 -7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.028 1.501 -6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.915 -2.397 -9.423 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.977 1.845 -8.755 1.00 0.00 H new ATOM 0 HH TYR A 50 6.676 0.896 -10.649 1.00 0.00 H new ATOM 774 N CYS A 51 6.775 0.236 -2.754 1.00 0.00 N ATOM 775 CA CYS A 51 6.970 1.402 -1.846 1.00 0.00 C ATOM 776 C CYS A 51 7.328 2.579 -2.740 1.00 0.00 C ATOM 777 O CYS A 51 8.274 2.523 -3.501 1.00 0.00 O ATOM 778 CB CYS A 51 8.128 1.168 -0.897 1.00 0.00 C ATOM 779 SG CYS A 51 7.741 1.934 0.695 1.00 0.00 S ATOM 0 H CYS A 51 7.592 -0.362 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 51 6.070 1.571 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.301 0.099 -0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.044 1.593 -1.307 1.00 0.00 H new ATOM 784 N CYS A 52 6.597 3.634 -2.671 1.00 0.00 N ATOM 785 CA CYS A 52 6.919 4.800 -3.538 1.00 0.00 C ATOM 786 C CYS A 52 6.921 6.051 -2.697 1.00 0.00 C ATOM 787 O CYS A 52 6.323 6.100 -1.652 1.00 0.00 O ATOM 788 CB CYS A 52 5.887 4.937 -4.646 1.00 0.00 C ATOM 789 SG CYS A 52 6.253 6.394 -5.652 1.00 0.00 S ATOM 0 H CYS A 52 5.790 3.751 -2.058 1.00 0.00 H new ATOM 0 HA CYS A 52 7.900 4.650 -3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.890 4.043 -5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.889 5.022 -4.217 1.00 0.00 H new ATOM 794 N GLU A 53 7.594 7.055 -3.150 1.00 0.00 N ATOM 795 CA GLU A 53 7.661 8.318 -2.363 1.00 0.00 C ATOM 796 C GLU A 53 6.860 9.423 -3.049 1.00 0.00 C ATOM 797 O GLU A 53 7.298 10.552 -3.144 1.00 0.00 O ATOM 798 CB GLU A 53 9.120 8.755 -2.231 1.00 0.00 C ATOM 799 CG GLU A 53 10.019 7.521 -2.137 1.00 0.00 C ATOM 800 CD GLU A 53 11.482 7.962 -2.049 1.00 0.00 C ATOM 801 OE1 GLU A 53 11.861 8.845 -2.800 1.00 0.00 O ATOM 802 OE2 GLU A 53 12.198 7.408 -1.231 1.00 0.00 O ATOM 0 H GLU A 53 8.105 7.064 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 53 7.235 8.139 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.407 9.362 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.245 9.377 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.753 6.930 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.872 6.883 -3.009 1.00 0.00 H new ATOM 809 N SER A 54 5.685 9.116 -3.511 1.00 0.00 N ATOM 810 CA SER A 54 4.852 10.155 -4.170 1.00 0.00 C ATOM 811 C SER A 54 3.423 10.031 -3.650 1.00 0.00 C ATOM 812 O SER A 54 3.005 8.973 -3.218 1.00 0.00 O ATOM 813 CB SER A 54 4.870 9.948 -5.684 1.00 0.00 C ATOM 814 OG SER A 54 5.957 9.099 -6.028 1.00 0.00 O ATOM 0 H SER A 54 5.264 8.188 -3.461 1.00 0.00 H new ATOM 0 HA SER A 54 5.246 11.146 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.930 9.506 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.967 10.907 -6.193 1.00 0.00 H new ATOM 0 HG SER A 54 5.734 8.173 -5.798 1.00 0.00 H new ATOM 820 N ASP A 55 2.661 11.086 -3.680 1.00 0.00 N ATOM 821 CA ASP A 55 1.271 10.972 -3.175 1.00 0.00 C ATOM 822 C ASP A 55 0.472 10.112 -4.143 1.00 0.00 C ATOM 823 O ASP A 55 0.657 10.168 -5.341 1.00 0.00 O ATOM 824 CB ASP A 55 0.618 12.347 -3.052 1.00 0.00 C ATOM 825 CG ASP A 55 1.668 13.411 -2.742 1.00 0.00 C ATOM 826 OD1 ASP A 55 2.501 13.668 -3.597 1.00 0.00 O ATOM 827 OD2 ASP A 55 1.618 13.951 -1.647 1.00 0.00 O ATOM 0 H ASP A 55 2.935 12.006 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 55 1.288 10.517 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.102 12.596 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.135 12.330 -2.264 1.00 0.00 H new ATOM 832 N LYS A 56 -0.402 9.302 -3.629 1.00 0.00 N ATOM 833 CA LYS A 56 -1.198 8.418 -4.523 1.00 0.00 C ATOM 834 C LYS A 56 -0.235 7.727 -5.490 1.00 0.00 C ATOM 835 O LYS A 56 -0.506 7.591 -6.667 1.00 0.00 O ATOM 836 CB LYS A 56 -2.200 9.264 -5.316 1.00 0.00 C ATOM 837 CG LYS A 56 -3.022 10.123 -4.353 1.00 0.00 C ATOM 838 CD LYS A 56 -4.370 10.460 -4.992 1.00 0.00 C ATOM 839 CE LYS A 56 -5.348 10.924 -3.911 1.00 0.00 C ATOM 840 NZ LYS A 56 -6.721 10.455 -4.249 1.00 0.00 N ATOM 0 H LYS A 56 -0.602 9.211 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.743 7.677 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.672 9.900 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.859 8.617 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.176 9.590 -3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.482 11.039 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.243 11.241 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.769 9.586 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.047 10.531 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.332 12.011 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.406 11.209 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.766 10.214 -5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.950 9.614 -3.682 1.00 0.00 H new ATOM 854 N CYS A 57 0.905 7.314 -5.001 1.00 0.00 N ATOM 855 CA CYS A 57 1.908 6.660 -5.887 1.00 0.00 C ATOM 856 C CYS A 57 1.695 5.140 -5.936 1.00 0.00 C ATOM 857 O CYS A 57 2.119 4.488 -6.868 1.00 0.00 O ATOM 858 CB CYS A 57 3.309 6.966 -5.353 1.00 0.00 C ATOM 859 SG CYS A 57 4.535 6.718 -6.662 1.00 0.00 S ATOM 0 H CYS A 57 1.184 7.402 -4.024 1.00 0.00 H new ATOM 0 HA CYS A 57 1.793 7.049 -6.899 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.353 7.993 -4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.534 6.319 -4.505 1.00 0.00 H new ATOM 864 N ASN A 58 1.047 4.558 -4.957 1.00 0.00 N ATOM 865 CA ASN A 58 0.837 3.091 -4.999 1.00 0.00 C ATOM 866 C ASN A 58 -0.483 2.788 -5.709 1.00 0.00 C ATOM 867 O ASN A 58 -1.377 2.182 -5.155 1.00 0.00 O ATOM 868 CB ASN A 58 0.821 2.504 -3.579 1.00 0.00 C ATOM 869 CG ASN A 58 0.197 3.493 -2.584 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.263 4.552 -2.961 1.00 0.00 O ATOM 871 ND2 ASN A 58 0.168 3.185 -1.313 1.00 0.00 N ATOM 0 H ASN A 58 0.661 5.035 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 58 1.659 2.631 -5.547 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.257 1.571 -3.573 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.838 2.263 -3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.241 3.834 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.554 2.296 -0.995 1.00 0.00 H new ATOM 878 N LEU A 59 -0.609 3.209 -6.940 1.00 0.00 N ATOM 879 CA LEU A 59 -1.867 2.950 -7.695 1.00 0.00 C ATOM 880 C LEU A 59 -1.542 2.179 -8.977 1.00 0.00 C ATOM 881 O LEU A 59 -2.049 1.081 -9.128 1.00 0.00 O ATOM 882 CB LEU A 59 -2.527 4.282 -8.056 1.00 0.00 C ATOM 883 CG LEU A 59 -4.048 4.114 -8.072 1.00 0.00 C ATOM 884 CD1 LEU A 59 -4.441 3.160 -9.199 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.509 3.538 -6.732 1.00 0.00 C ATOM 886 OXT LEU A 59 -0.793 2.702 -9.785 1.00 0.00 O ATOM 0 H LEU A 59 0.107 3.722 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.547 2.362 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.243 5.047 -7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.178 4.620 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.521 5.083 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.524 3.039 -9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.110 3.569 -10.154 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.970 2.191 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.592 3.417 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.037 2.569 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.226 4.217 -5.928 1.00 0.00 H new TER 898 LEU A 59