USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 709 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 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0.187 USER MOD Set 1.2: A 95 THR OG1 : rot -77:sc= 0.186 USER MOD Set 2.1: A 28 THR OG1 : rot -80:sc= 0.845 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.108 USER MOD Single : A 4 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 153:sc= -2.52 (180deg=-5.88!) USER MOD Single : A 9 THR OG1 : rot -81:sc= -4.09! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -121:sc= -2.33 (180deg=-2.96!) USER MOD Single : A 34 ASN : amide:sc= -4.5 K(o=-4.5,f=-12!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -2.92! C(o=-2.9!,f=-8.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -79:sc= 0.428 USER MOD Single : A 57 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.6!) USER MOD Single : A 58 THR OG1 : rot -60:sc= 1.11 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0236) USER MOD Single : A 66 SER OG : rot 180:sc= -0.134 USER MOD Single : A 68 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 69 SER OG : rot -138:sc= 1.23 USER MOD Single : A 74 THR OG1 : rot 120:sc= 0 USER MOD Single : A 78 TYR OH : rot 23:sc= -2.49 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 83 THR OG1 : rot 172:sc= -1.04 USER MOD Single : A 90 MET CE :methyl 160:sc= -3.74! (180deg=-5.27!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.802 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.044 -10.003 -4.012 1.00 0.00 N ATOM 2 CA ALA A 1 -13.904 -10.592 -3.331 1.00 0.00 C ATOM 3 C ALA A 1 -12.649 -9.775 -3.644 1.00 0.00 C ATOM 4 O ALA A 1 -11.711 -10.281 -4.258 1.00 0.00 O ATOM 5 CB ALA A 1 -13.763 -12.058 -3.746 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.899 -10.557 -3.801 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.176 -9.024 -3.685 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.875 -10.006 -5.038 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.050 -10.571 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.908 -12.500 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.668 -12.602 -3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.613 -12.118 -4.824 1.00 0.00 H new ATOM 11 N SER A 2 -12.672 -8.524 -3.206 1.00 0.00 N ATOM 12 CA SER A 2 -11.548 -7.631 -3.433 1.00 0.00 C ATOM 13 C SER A 2 -11.574 -6.489 -2.414 1.00 0.00 C ATOM 14 O SER A 2 -12.630 -6.149 -1.885 1.00 0.00 O ATOM 15 CB SER A 2 -11.566 -7.073 -4.857 1.00 0.00 C ATOM 16 OG SER A 2 -10.792 -7.866 -5.752 1.00 0.00 O ATOM 0 H SER A 2 -13.451 -8.108 -2.695 1.00 0.00 H new ATOM 0 HA SER A 2 -10.627 -8.201 -3.308 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.595 -7.024 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.181 -6.053 -4.851 1.00 0.00 H new ATOM 0 HG SER A 2 -10.882 -8.812 -5.512 1.00 0.00 H new ATOM 22 N VAL A 3 -10.397 -5.930 -2.170 1.00 0.00 N ATOM 23 CA VAL A 3 -10.271 -4.834 -1.225 1.00 0.00 C ATOM 24 C VAL A 3 -9.559 -3.661 -1.903 1.00 0.00 C ATOM 25 O VAL A 3 -9.150 -3.762 -3.058 1.00 0.00 O ATOM 26 CB VAL A 3 -9.560 -5.315 0.041 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.516 -6.098 0.944 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.326 -6.150 -0.306 1.00 0.00 C ATOM 0 H VAL A 3 -9.523 -6.216 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.255 -4.481 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.225 -4.435 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.985 -6.428 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.349 -5.458 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.896 -6.966 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.839 -6.479 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.628 -7.020 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.630 -5.546 -0.889 1.00 0.00 H new ATOM 38 N GLN A 4 -9.433 -2.575 -1.154 1.00 0.00 N ATOM 39 CA GLN A 4 -8.778 -1.385 -1.668 1.00 0.00 C ATOM 40 C GLN A 4 -7.969 -0.705 -0.561 1.00 0.00 C ATOM 41 O GLN A 4 -8.342 -0.762 0.610 1.00 0.00 O ATOM 42 CB GLN A 4 -9.795 -0.418 -2.275 1.00 0.00 C ATOM 43 CG GLN A 4 -11.126 -0.476 -1.522 1.00 0.00 C ATOM 44 CD GLN A 4 -11.679 0.929 -1.276 1.00 0.00 C ATOM 45 OE1 GLN A 4 -12.400 1.491 -2.084 1.00 0.00 O ATOM 46 NE2 GLN A 4 -11.303 1.463 -0.117 1.00 0.00 N ATOM 0 H GLN A 4 -9.773 -2.495 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.093 -1.685 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.400 0.597 -2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.956 -0.666 -3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.847 -1.059 -2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.987 -0.988 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.698 0.938 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.620 2.398 0.141 1.00 0.00 H new ATOM 55 N ILE A 5 -6.876 -0.078 -0.971 1.00 0.00 N ATOM 56 CA ILE A 5 -6.010 0.611 -0.029 1.00 0.00 C ATOM 57 C ILE A 5 -6.065 2.116 -0.300 1.00 0.00 C ATOM 58 O ILE A 5 -5.576 2.583 -1.327 1.00 0.00 O ATOM 59 CB ILE A 5 -4.596 0.029 -0.076 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.512 -1.270 0.728 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.564 1.059 0.390 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.800 -1.020 2.208 1.00 0.00 C ATOM 0 H ILE A 5 -6.570 -0.033 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.359 0.457 0.992 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.361 -0.217 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.225 -1.993 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.520 -1.707 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.567 0.620 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.604 1.933 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.785 1.358 1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.734 -1.960 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.070 -0.315 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.802 -0.606 2.319 1.00 0.00 H new ATOM 74 N LYS A 6 -6.665 2.832 0.639 1.00 0.00 N ATOM 75 CA LYS A 6 -6.790 4.275 0.514 1.00 0.00 C ATOM 76 C LYS A 6 -5.585 4.946 1.176 1.00 0.00 C ATOM 77 O LYS A 6 -5.257 4.648 2.324 1.00 0.00 O ATOM 78 CB LYS A 6 -8.136 4.746 1.068 1.00 0.00 C ATOM 79 CG LYS A 6 -9.140 4.986 -0.062 1.00 0.00 C ATOM 80 CD LYS A 6 -10.518 5.344 0.496 1.00 0.00 C ATOM 81 CE LYS A 6 -11.601 5.185 -0.574 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.725 6.113 -0.315 1.00 0.00 N ATOM 0 H LYS A 6 -7.070 2.441 1.489 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.783 4.568 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.531 4.000 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.997 5.665 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.784 5.791 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.216 4.093 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.747 4.704 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.511 6.371 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.179 5.382 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.964 4.157 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.451 5.992 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.138 5.907 0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.377 7.093 -0.330 1.00 0.00 H new ATOM 96 N MET A 7 -4.958 5.839 0.424 1.00 0.00 N ATOM 97 CA MET A 7 -3.797 6.555 0.923 1.00 0.00 C ATOM 98 C MET A 7 -4.172 7.972 1.362 1.00 0.00 C ATOM 99 O MET A 7 -4.279 8.875 0.533 1.00 0.00 O ATOM 100 CB MET A 7 -2.730 6.626 -0.172 1.00 0.00 C ATOM 101 CG MET A 7 -2.329 5.224 -0.637 1.00 0.00 C ATOM 102 SD MET A 7 -2.793 4.990 -2.344 1.00 0.00 S ATOM 103 CE MET A 7 -1.179 4.976 -3.106 1.00 0.00 C ATOM 0 H MET A 7 -5.233 6.083 -0.528 1.00 0.00 H new ATOM 0 HA MET A 7 -3.408 6.018 1.788 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.109 7.199 -1.018 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.853 7.154 0.203 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.254 5.088 -0.522 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.814 4.473 -0.014 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.215 4.390 -4.024 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.878 5.997 -3.339 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.457 4.532 -2.421 1.00 0.00 H new ATOM 113 N GLY A 8 -4.363 8.122 2.664 1.00 0.00 N ATOM 114 CA GLY A 8 -4.724 9.414 3.223 1.00 0.00 C ATOM 115 C GLY A 8 -6.099 9.356 3.893 1.00 0.00 C ATOM 116 O GLY A 8 -6.958 8.576 3.487 1.00 0.00 O ATOM 0 H GLY A 8 -4.275 7.371 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.973 9.722 3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.731 10.166 2.434 1.00 0.00 H new ATOM 120 N THR A 9 -6.263 10.194 4.906 1.00 0.00 N ATOM 121 CA THR A 9 -7.519 10.248 5.636 1.00 0.00 C ATOM 122 C THR A 9 -8.190 11.609 5.441 1.00 0.00 C ATOM 123 O THR A 9 -7.522 12.598 5.144 1.00 0.00 O ATOM 124 CB THR A 9 -7.230 9.918 7.101 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.162 10.795 7.450 1.00 0.00 O ATOM 126 CG2 THR A 9 -6.635 8.519 7.279 1.00 0.00 C ATOM 0 H THR A 9 -5.548 10.841 5.239 1.00 0.00 H new ATOM 0 HA THR A 9 -8.229 9.513 5.257 1.00 0.00 H new ATOM 0 HB THR A 9 -8.150 9.998 7.680 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.314 10.419 7.136 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.449 8.335 8.337 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.335 7.775 6.899 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.697 8.450 6.728 1.00 0.00 H new ATOM 134 N ASP A 10 -9.503 11.616 5.615 1.00 0.00 N ATOM 135 CA ASP A 10 -10.273 12.839 5.462 1.00 0.00 C ATOM 136 C ASP A 10 -9.776 13.878 6.469 1.00 0.00 C ATOM 137 O ASP A 10 -10.071 15.065 6.339 1.00 0.00 O ATOM 138 CB ASP A 10 -11.758 12.592 5.732 1.00 0.00 C ATOM 139 CG ASP A 10 -12.697 13.695 5.238 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.336 14.876 5.429 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.755 13.332 4.680 1.00 0.00 O ATOM 0 H ASP A 10 -10.054 10.794 5.861 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.146 13.192 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.046 11.652 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.901 12.468 6.805 1.00 0.00 H new ATOM 146 N LYS A 11 -9.027 13.394 7.450 1.00 0.00 N ATOM 147 CA LYS A 11 -8.487 14.266 8.479 1.00 0.00 C ATOM 148 C LYS A 11 -7.111 14.771 8.040 1.00 0.00 C ATOM 149 O LYS A 11 -6.191 14.863 8.853 1.00 0.00 O ATOM 150 CB LYS A 11 -8.478 13.555 9.834 1.00 0.00 C ATOM 151 CG LYS A 11 -8.847 14.522 10.962 1.00 0.00 C ATOM 152 CD LYS A 11 -9.867 13.890 11.913 1.00 0.00 C ATOM 153 CE LYS A 11 -10.987 14.876 12.248 1.00 0.00 C ATOM 154 NZ LYS A 11 -12.303 14.200 12.203 1.00 0.00 N ATOM 0 H LYS A 11 -8.782 12.409 7.553 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.123 15.142 8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.183 12.724 9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.491 13.132 10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.950 14.799 11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.257 15.439 10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.290 12.995 11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.369 13.575 12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.823 15.299 13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.973 15.705 11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.052 14.883 12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.464 13.817 11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.318 13.424 12.895 1.00 0.00 H new ATOM 168 N TYR A 12 -7.013 15.086 6.758 1.00 0.00 N ATOM 169 CA TYR A 12 -5.765 15.580 6.202 1.00 0.00 C ATOM 170 C TYR A 12 -4.568 14.822 6.780 1.00 0.00 C ATOM 171 O TYR A 12 -3.469 15.365 6.871 1.00 0.00 O ATOM 172 CB TYR A 12 -5.669 17.050 6.617 1.00 0.00 C ATOM 173 CG TYR A 12 -5.781 18.035 5.451 1.00 0.00 C ATOM 174 CD1 TYR A 12 -6.974 18.161 4.766 1.00 0.00 C ATOM 175 CD2 TYR A 12 -4.691 18.796 5.084 1.00 0.00 C ATOM 176 CE1 TYR A 12 -7.079 19.088 3.669 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.796 19.722 3.987 1.00 0.00 C ATOM 178 CZ TYR A 12 -5.985 19.822 3.333 1.00 0.00 C ATOM 179 OH TYR A 12 -6.084 20.698 2.297 1.00 0.00 O ATOM 0 H TYR A 12 -7.778 15.009 6.087 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.750 15.449 5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.457 17.265 7.338 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.719 17.212 7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.827 17.565 5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.758 18.697 5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.006 19.198 3.125 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.950 20.324 3.690 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.226 21.154 2.171 1.00 0.00 H new ATOM 189 N ALA A 13 -4.823 13.577 7.157 1.00 0.00 N ATOM 190 CA ALA A 13 -3.782 12.738 7.723 1.00 0.00 C ATOM 191 C ALA A 13 -3.315 11.731 6.671 1.00 0.00 C ATOM 192 O ALA A 13 -4.071 10.847 6.274 1.00 0.00 O ATOM 193 CB ALA A 13 -4.307 12.058 8.990 1.00 0.00 C ATOM 0 H ALA A 13 -5.737 13.130 7.081 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.919 13.339 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.526 11.428 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.597 12.817 9.717 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.173 11.444 8.741 1.00 0.00 H new ATOM 199 N PRO A 14 -2.036 11.902 6.239 1.00 0.00 N ATOM 200 CA PRO A 14 -1.460 11.019 5.241 1.00 0.00 C ATOM 201 C PRO A 14 -1.108 9.659 5.849 1.00 0.00 C ATOM 202 O PRO A 14 0.007 9.460 6.328 1.00 0.00 O ATOM 203 CB PRO A 14 -0.246 11.764 4.710 1.00 0.00 C ATOM 204 CG PRO A 14 0.080 12.823 5.750 1.00 0.00 C ATOM 205 CD PRO A 14 -1.111 12.939 6.688 1.00 0.00 C ATOM 0 HA PRO A 14 -2.154 10.788 4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.596 11.087 4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.459 12.219 3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.977 12.549 6.305 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.282 13.780 5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.815 12.784 7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.566 13.928 6.631 1.00 0.00 H new ATOM 213 N LEU A 15 -2.080 8.761 5.809 1.00 0.00 N ATOM 214 CA LEU A 15 -1.888 7.426 6.350 1.00 0.00 C ATOM 215 C LEU A 15 -2.565 6.405 5.433 1.00 0.00 C ATOM 216 O LEU A 15 -3.296 6.778 4.517 1.00 0.00 O ATOM 217 CB LEU A 15 -2.367 7.362 7.802 1.00 0.00 C ATOM 218 CG LEU A 15 -1.853 6.180 8.626 1.00 0.00 C ATOM 219 CD1 LEU A 15 -1.371 6.640 10.003 1.00 0.00 C ATOM 220 CD2 LEU A 15 -2.912 5.080 8.728 1.00 0.00 C ATOM 0 H LEU A 15 -3.003 8.931 5.410 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.828 7.176 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.071 8.284 8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.457 7.334 7.803 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.993 5.753 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.011 5.780 10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.562 7.360 9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.196 7.107 10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.521 4.252 9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.805 5.478 9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.165 4.725 7.729 1.00 0.00 H new ATOM 232 N TYR A 16 -2.300 5.138 5.713 1.00 0.00 N ATOM 233 CA TYR A 16 -2.874 4.061 4.925 1.00 0.00 C ATOM 234 C TYR A 16 -4.170 3.549 5.558 1.00 0.00 C ATOM 235 O TYR A 16 -4.194 3.207 6.739 1.00 0.00 O ATOM 236 CB TYR A 16 -1.839 2.936 4.929 1.00 0.00 C ATOM 237 CG TYR A 16 -0.882 2.965 3.735 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.384 2.972 2.449 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.481 2.985 3.944 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.484 3.000 1.325 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.381 3.012 2.820 1.00 0.00 C ATOM 242 CZ TYR A 16 0.855 3.019 1.567 1.00 0.00 C ATOM 243 OH TYR A 16 1.704 3.045 0.505 1.00 0.00 O ATOM 0 H TYR A 16 -1.695 4.833 6.475 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.111 4.406 3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.257 2.995 5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.359 1.978 4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.451 2.956 2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.873 2.980 4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.863 3.006 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.450 3.026 2.970 1.00 0.00 H new ATOM 0 HH TYR A 16 2.630 3.057 0.826 1.00 0.00 H new ATOM 253 N GLU A 17 -5.215 3.513 4.745 1.00 0.00 N ATOM 254 CA GLU A 17 -6.510 3.048 5.211 1.00 0.00 C ATOM 255 C GLU A 17 -7.091 2.026 4.232 1.00 0.00 C ATOM 256 O GLU A 17 -7.130 2.268 3.027 1.00 0.00 O ATOM 257 CB GLU A 17 -7.472 4.219 5.416 1.00 0.00 C ATOM 258 CG GLU A 17 -8.527 3.885 6.473 1.00 0.00 C ATOM 259 CD GLU A 17 -9.378 5.112 6.806 1.00 0.00 C ATOM 260 OE1 GLU A 17 -10.387 5.312 6.095 1.00 0.00 O ATOM 261 OE2 GLU A 17 -9.001 5.822 7.762 1.00 0.00 O ATOM 0 H GLU A 17 -5.191 3.798 3.766 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.373 2.560 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.913 5.104 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.961 4.461 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.168 3.081 6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.039 3.521 7.377 1.00 0.00 H new ATOM 268 N PRO A 18 -7.542 0.875 4.801 1.00 0.00 N ATOM 269 CA PRO A 18 -7.460 0.669 6.237 1.00 0.00 C ATOM 270 C PRO A 18 -6.024 0.360 6.665 1.00 0.00 C ATOM 271 O PRO A 18 -5.244 -0.186 5.886 1.00 0.00 O ATOM 272 CB PRO A 18 -8.425 -0.469 6.527 1.00 0.00 C ATOM 273 CG PRO A 18 -8.661 -1.164 5.195 1.00 0.00 C ATOM 274 CD PRO A 18 -8.139 -0.255 4.095 1.00 0.00 C ATOM 0 HA PRO A 18 -7.732 1.558 6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.006 -1.159 7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.360 -0.092 6.942 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.149 -2.126 5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.723 -1.365 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.404 -0.767 3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.943 0.070 3.435 1.00 0.00 H new ATOM 282 N LYS A 19 -5.719 0.722 7.903 1.00 0.00 N ATOM 283 CA LYS A 19 -4.391 0.489 8.444 1.00 0.00 C ATOM 284 C LYS A 19 -3.988 -0.964 8.188 1.00 0.00 C ATOM 285 O LYS A 19 -2.836 -1.244 7.858 1.00 0.00 O ATOM 286 CB LYS A 19 -4.335 0.892 9.919 1.00 0.00 C ATOM 287 CG LYS A 19 -2.897 1.176 10.356 1.00 0.00 C ATOM 288 CD LYS A 19 -2.864 2.149 11.537 1.00 0.00 C ATOM 289 CE LYS A 19 -1.464 2.219 12.151 1.00 0.00 C ATOM 290 NZ LYS A 19 -1.503 2.924 13.451 1.00 0.00 N ATOM 0 H LYS A 19 -6.369 1.175 8.546 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.658 1.117 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.950 1.777 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.755 0.096 10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.407 0.243 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.335 1.594 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.169 3.141 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.582 1.832 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.070 1.212 12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.787 2.736 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.545 2.963 13.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.859 3.891 13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.133 2.415 14.103 1.00 0.00 H new ATOM 304 N ALA A 20 -4.958 -1.852 8.350 1.00 0.00 N ATOM 305 CA ALA A 20 -4.719 -3.270 8.141 1.00 0.00 C ATOM 306 C ALA A 20 -5.720 -3.805 7.115 1.00 0.00 C ATOM 307 O ALA A 20 -6.824 -3.278 6.986 1.00 0.00 O ATOM 308 CB ALA A 20 -4.805 -4.005 9.479 1.00 0.00 C ATOM 0 H ALA A 20 -5.912 -1.617 8.624 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.718 -3.436 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.626 -5.069 9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.054 -3.607 10.162 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.797 -3.864 9.909 1.00 0.00 H new ATOM 314 N LEU A 21 -5.299 -4.847 6.412 1.00 0.00 N ATOM 315 CA LEU A 21 -6.144 -5.459 5.403 1.00 0.00 C ATOM 316 C LEU A 21 -5.899 -6.969 5.386 1.00 0.00 C ATOM 317 O LEU A 21 -4.768 -7.420 5.561 1.00 0.00 O ATOM 318 CB LEU A 21 -5.932 -4.787 4.045 1.00 0.00 C ATOM 319 CG LEU A 21 -6.361 -5.597 2.820 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.852 -5.934 2.880 1.00 0.00 C ATOM 321 CD2 LEU A 21 -5.989 -4.872 1.526 1.00 0.00 C ATOM 0 H LEU A 21 -4.383 -5.282 6.522 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.196 -5.308 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.477 -3.843 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.874 -4.545 3.943 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.817 -6.542 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.131 -6.510 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.057 -6.521 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.433 -5.012 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.305 -5.469 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.487 -3.903 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.909 -4.726 1.488 1.00 0.00 H new ATOM 333 N SER A 22 -6.977 -7.709 5.173 1.00 0.00 N ATOM 334 CA SER A 22 -6.893 -9.159 5.132 1.00 0.00 C ATOM 335 C SER A 22 -7.577 -9.687 3.869 1.00 0.00 C ATOM 336 O SER A 22 -8.597 -9.150 3.440 1.00 0.00 O ATOM 337 CB SER A 22 -7.524 -9.784 6.378 1.00 0.00 C ATOM 338 OG SER A 22 -7.208 -11.169 6.499 1.00 0.00 O ATOM 0 H SER A 22 -7.913 -7.332 5.027 1.00 0.00 H new ATOM 0 HA SER A 22 -5.840 -9.440 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.177 -9.254 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.606 -9.661 6.337 1.00 0.00 H new ATOM 0 HG SER A 22 -7.628 -11.531 7.307 1.00 0.00 H new ATOM 344 N ILE A 23 -6.987 -10.734 3.308 1.00 0.00 N ATOM 345 CA ILE A 23 -7.527 -11.339 2.103 1.00 0.00 C ATOM 346 C ILE A 23 -7.082 -12.801 2.029 1.00 0.00 C ATOM 347 O ILE A 23 -6.444 -13.307 2.952 1.00 0.00 O ATOM 348 CB ILE A 23 -7.143 -10.517 0.872 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.633 -10.567 0.629 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.657 -9.081 0.989 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.303 -10.260 -0.834 1.00 0.00 C ATOM 0 H ILE A 23 -6.141 -11.178 3.666 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.617 -11.337 2.131 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.625 -10.961 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.133 -9.848 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.251 -11.553 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.370 -8.518 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.743 -9.090 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.224 -8.610 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.224 -10.302 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.785 -10.996 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.665 -9.264 -1.087 1.00 0.00 H new ATOM 363 N SER A 24 -7.435 -13.439 0.924 1.00 0.00 N ATOM 364 CA SER A 24 -7.080 -14.833 0.718 1.00 0.00 C ATOM 365 C SER A 24 -6.236 -14.977 -0.550 1.00 0.00 C ATOM 366 O SER A 24 -6.117 -14.034 -1.331 1.00 0.00 O ATOM 367 CB SER A 24 -8.330 -15.712 0.626 1.00 0.00 C ATOM 368 OG SER A 24 -9.348 -15.111 -0.170 1.00 0.00 O ATOM 0 H SER A 24 -7.964 -13.016 0.161 1.00 0.00 H new ATOM 0 HA SER A 24 -6.496 -15.167 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.062 -16.680 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.716 -15.899 1.628 1.00 0.00 H new ATOM 0 HG SER A 24 -10.128 -15.703 -0.205 1.00 0.00 H new ATOM 374 N ALA A 25 -5.673 -16.164 -0.716 1.00 0.00 N ATOM 375 CA ALA A 25 -4.843 -16.443 -1.876 1.00 0.00 C ATOM 376 C ALA A 25 -5.711 -16.421 -3.136 1.00 0.00 C ATOM 377 O ALA A 25 -6.478 -17.352 -3.381 1.00 0.00 O ATOM 378 CB ALA A 25 -4.129 -17.782 -1.683 1.00 0.00 C ATOM 0 H ALA A 25 -5.775 -16.944 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.075 -15.678 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.507 -17.991 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.503 -17.735 -0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.868 -18.575 -1.566 1.00 0.00 H new ATOM 384 N GLY A 26 -5.562 -15.350 -3.901 1.00 0.00 N ATOM 385 CA GLY A 26 -6.323 -15.195 -5.129 1.00 0.00 C ATOM 386 C GLY A 26 -7.115 -13.886 -5.122 1.00 0.00 C ATOM 387 O GLY A 26 -7.714 -13.514 -6.130 1.00 0.00 O ATOM 0 H GLY A 26 -4.925 -14.581 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.647 -15.211 -5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.006 -16.037 -5.247 1.00 0.00 H new ATOM 391 N ASP A 27 -7.091 -13.223 -3.975 1.00 0.00 N ATOM 392 CA ASP A 27 -7.798 -11.963 -3.824 1.00 0.00 C ATOM 393 C ASP A 27 -6.951 -10.833 -4.411 1.00 0.00 C ATOM 394 O ASP A 27 -5.806 -11.052 -4.808 1.00 0.00 O ATOM 395 CB ASP A 27 -8.051 -11.647 -2.348 1.00 0.00 C ATOM 396 CG ASP A 27 -9.208 -12.418 -1.711 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.708 -13.347 -2.381 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.565 -12.062 -0.567 1.00 0.00 O ATOM 0 H ASP A 27 -6.593 -13.535 -3.141 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.752 -12.048 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.141 -11.857 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.247 -10.579 -2.249 1.00 0.00 H new ATOM 403 N THR A 28 -7.543 -9.649 -4.449 1.00 0.00 N ATOM 404 CA THR A 28 -6.856 -8.484 -4.980 1.00 0.00 C ATOM 405 C THR A 28 -6.896 -7.335 -3.971 1.00 0.00 C ATOM 406 O THR A 28 -7.800 -7.264 -3.140 1.00 0.00 O ATOM 407 CB THR A 28 -7.494 -8.134 -6.326 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.592 -9.386 -7.000 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.565 -7.303 -7.216 1.00 0.00 C ATOM 0 H THR A 28 -8.492 -9.471 -4.120 1.00 0.00 H new ATOM 0 HA THR A 28 -5.799 -8.690 -5.148 1.00 0.00 H new ATOM 0 HB THR A 28 -8.421 -7.586 -6.157 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.720 -9.622 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.066 -7.082 -8.159 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.315 -6.370 -6.710 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.652 -7.865 -7.413 1.00 0.00 H new ATOM 417 N VAL A 29 -5.905 -6.462 -4.078 1.00 0.00 N ATOM 418 CA VAL A 29 -5.816 -5.319 -3.185 1.00 0.00 C ATOM 419 C VAL A 29 -5.575 -4.052 -4.008 1.00 0.00 C ATOM 420 O VAL A 29 -4.457 -3.803 -4.458 1.00 0.00 O ATOM 421 CB VAL A 29 -4.734 -5.561 -2.131 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.592 -4.354 -1.202 1.00 0.00 C ATOM 423 CG2 VAL A 29 -5.021 -6.835 -1.333 1.00 0.00 C ATOM 0 H VAL A 29 -5.157 -6.523 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.753 -5.183 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.786 -5.697 -2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.816 -4.553 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.319 -3.475 -1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.539 -4.172 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.237 -6.984 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.983 -6.740 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.047 -7.690 -2.009 1.00 0.00 H new ATOM 433 N GLU A 30 -6.641 -3.285 -4.181 1.00 0.00 N ATOM 434 CA GLU A 30 -6.559 -2.050 -4.943 1.00 0.00 C ATOM 435 C GLU A 30 -5.907 -0.950 -4.101 1.00 0.00 C ATOM 436 O GLU A 30 -5.699 -1.123 -2.902 1.00 0.00 O ATOM 437 CB GLU A 30 -7.942 -1.617 -5.435 1.00 0.00 C ATOM 438 CG GLU A 30 -7.826 -0.549 -6.524 1.00 0.00 C ATOM 439 CD GLU A 30 -9.070 -0.536 -7.414 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.191 -1.472 -8.234 1.00 0.00 O ATOM 441 OE2 GLU A 30 -9.873 0.409 -7.255 1.00 0.00 O ATOM 0 H GLU A 30 -7.566 -3.495 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.937 -2.227 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.481 -2.481 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.524 -1.228 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.693 0.431 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.942 -0.739 -7.132 1.00 0.00 H new ATOM 448 N PHE A 31 -5.603 0.156 -4.765 1.00 0.00 N ATOM 449 CA PHE A 31 -4.979 1.283 -4.094 1.00 0.00 C ATOM 450 C PHE A 31 -5.430 2.608 -4.713 1.00 0.00 C ATOM 451 O PHE A 31 -5.187 2.861 -5.892 1.00 0.00 O ATOM 452 CB PHE A 31 -3.468 1.134 -4.281 1.00 0.00 C ATOM 453 CG PHE A 31 -2.845 0.011 -3.449 1.00 0.00 C ATOM 454 CD1 PHE A 31 -3.046 -1.288 -3.802 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.092 0.310 -2.357 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.468 -2.330 -3.030 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.515 -0.732 -1.586 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.714 -2.031 -1.938 1.00 0.00 C ATOM 0 H PHE A 31 -5.777 0.295 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.260 1.291 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.259 0.950 -5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.985 2.076 -4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.645 -1.526 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.933 1.341 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.627 -3.361 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.917 -0.494 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.274 -2.824 -1.351 1.00 0.00 H new ATOM 468 N VAL A 32 -6.078 3.419 -3.889 1.00 0.00 N ATOM 469 CA VAL A 32 -6.565 4.711 -4.341 1.00 0.00 C ATOM 470 C VAL A 32 -5.957 5.813 -3.471 1.00 0.00 C ATOM 471 O VAL A 32 -5.626 5.580 -2.310 1.00 0.00 O ATOM 472 CB VAL A 32 -8.095 4.723 -4.340 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.641 4.757 -2.911 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.634 5.897 -5.161 1.00 0.00 C ATOM 0 H VAL A 32 -6.277 3.206 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.253 4.899 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.438 3.801 -4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.731 4.765 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.298 3.876 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.284 5.655 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.724 5.883 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.277 6.834 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.286 5.811 -6.190 1.00 0.00 H new ATOM 484 N MET A 33 -5.827 6.989 -4.067 1.00 0.00 N ATOM 485 CA MET A 33 -5.265 8.128 -3.361 1.00 0.00 C ATOM 486 C MET A 33 -6.368 8.994 -2.751 1.00 0.00 C ATOM 487 O MET A 33 -7.214 9.526 -3.469 1.00 0.00 O ATOM 488 CB MET A 33 -4.432 8.969 -4.330 1.00 0.00 C ATOM 489 CG MET A 33 -2.976 9.058 -3.867 1.00 0.00 C ATOM 490 SD MET A 33 -2.027 10.035 -5.021 1.00 0.00 S ATOM 491 CE MET A 33 -2.734 11.646 -4.716 1.00 0.00 C ATOM 0 H MET A 33 -6.101 7.178 -5.031 1.00 0.00 H new ATOM 0 HA MET A 33 -4.634 7.756 -2.554 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.474 8.530 -5.327 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.856 9.971 -4.405 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.928 9.505 -2.874 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.549 8.058 -3.787 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.161 12.037 -5.640 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.516 11.563 -3.961 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.957 12.323 -4.361 1.00 0.00 H new ATOM 501 N ASN A 34 -6.324 9.110 -1.431 1.00 0.00 N ATOM 502 CA ASN A 34 -7.311 9.903 -0.716 1.00 0.00 C ATOM 503 C ASN A 34 -6.972 11.387 -0.869 1.00 0.00 C ATOM 504 O ASN A 34 -7.725 12.139 -1.486 1.00 0.00 O ATOM 505 CB ASN A 34 -7.308 9.568 0.776 1.00 0.00 C ATOM 506 CG ASN A 34 -8.549 8.759 1.159 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.685 7.592 0.836 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.445 9.445 1.863 1.00 0.00 N ATOM 0 H ASN A 34 -5.621 8.668 -0.838 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.293 9.679 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.410 9.002 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.275 10.488 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.309 8.995 2.166 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.268 10.421 2.100 1.00 0.00 H new ATOM 515 N LYS A 35 -5.839 11.766 -0.295 1.00 0.00 N ATOM 516 CA LYS A 35 -5.393 13.147 -0.360 1.00 0.00 C ATOM 517 C LYS A 35 -3.968 13.243 0.190 1.00 0.00 C ATOM 518 O LYS A 35 -3.301 12.227 0.378 1.00 0.00 O ATOM 519 CB LYS A 35 -6.389 14.065 0.349 1.00 0.00 C ATOM 520 CG LYS A 35 -6.339 13.863 1.866 1.00 0.00 C ATOM 521 CD LYS A 35 -7.743 13.669 2.439 1.00 0.00 C ATOM 522 CE LYS A 35 -8.099 14.795 3.412 1.00 0.00 C ATOM 523 NZ LYS A 35 -9.065 15.730 2.791 1.00 0.00 N ATOM 0 H LYS A 35 -5.217 11.140 0.217 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.360 13.490 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.165 15.104 0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.397 13.864 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.723 12.995 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.866 14.725 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.470 13.641 1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.801 12.709 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.525 14.375 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.196 15.334 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.296 16.488 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.646 16.144 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.933 15.215 2.538 1.00 0.00 H new ATOM 537 N VAL A 36 -3.544 14.475 0.433 1.00 0.00 N ATOM 538 CA VAL A 36 -2.210 14.717 0.957 1.00 0.00 C ATOM 539 C VAL A 36 -1.199 13.882 0.171 1.00 0.00 C ATOM 540 O VAL A 36 -0.447 13.101 0.753 1.00 0.00 O ATOM 541 CB VAL A 36 -2.180 14.435 2.460 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.555 12.979 2.752 1.00 0.00 C ATOM 543 CG2 VAL A 36 -0.813 14.778 3.055 1.00 0.00 C ATOM 0 H VAL A 36 -4.100 15.316 0.277 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.934 15.764 0.831 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.923 15.075 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.526 12.805 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.560 12.780 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.846 12.315 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.819 14.568 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.044 14.176 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.601 15.835 2.894 1.00 0.00 H new ATOM 553 N GLY A 37 -1.210 14.077 -1.139 1.00 0.00 N ATOM 554 CA GLY A 37 -0.301 13.351 -2.011 1.00 0.00 C ATOM 555 C GLY A 37 1.002 14.126 -2.212 1.00 0.00 C ATOM 556 O GLY A 37 1.235 15.138 -1.554 1.00 0.00 O ATOM 0 H GLY A 37 -1.833 14.727 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.084 12.373 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.778 13.178 -2.976 1.00 0.00 H new ATOM 560 N PRO A 38 1.841 13.608 -3.150 1.00 0.00 N ATOM 561 CA PRO A 38 1.488 12.405 -3.885 1.00 0.00 C ATOM 562 C PRO A 38 1.644 11.161 -3.008 1.00 0.00 C ATOM 563 O PRO A 38 1.828 11.270 -1.797 1.00 0.00 O ATOM 564 CB PRO A 38 2.410 12.399 -5.094 1.00 0.00 C ATOM 565 CG PRO A 38 3.553 13.341 -4.751 1.00 0.00 C ATOM 566 CD PRO A 38 3.140 14.151 -3.533 1.00 0.00 C ATOM 0 HA PRO A 38 0.444 12.393 -4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.780 11.394 -5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.884 12.733 -5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.463 12.778 -4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.770 14.000 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.865 14.050 -2.726 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.071 15.213 -3.768 1.00 0.00 H new ATOM 574 N HIS A 39 1.565 10.007 -3.655 1.00 0.00 N ATOM 575 CA HIS A 39 1.694 8.744 -2.949 1.00 0.00 C ATOM 576 C HIS A 39 2.401 7.725 -3.847 1.00 0.00 C ATOM 577 O HIS A 39 2.915 8.077 -4.907 1.00 0.00 O ATOM 578 CB HIS A 39 0.332 8.255 -2.455 1.00 0.00 C ATOM 579 CG HIS A 39 -0.326 9.177 -1.457 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.225 8.994 -0.088 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.093 10.289 -1.641 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.906 9.958 0.514 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.443 10.759 -0.450 1.00 0.00 N ATOM 0 H HIS A 39 1.413 9.921 -4.660 1.00 0.00 H new ATOM 0 HA HIS A 39 2.309 8.882 -2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.331 8.131 -3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.453 7.272 -2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.369 10.715 -2.594 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.016 10.087 1.581 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.019 11.584 -0.283 1.00 0.00 H new ATOM 591 N ASN A 40 2.403 6.482 -3.388 1.00 0.00 N ATOM 592 CA ASN A 40 3.038 5.410 -4.136 1.00 0.00 C ATOM 593 C ASN A 40 3.063 4.142 -3.279 1.00 0.00 C ATOM 594 O ASN A 40 2.805 4.195 -2.077 1.00 0.00 O ATOM 595 CB ASN A 40 4.482 5.767 -4.493 1.00 0.00 C ATOM 596 CG ASN A 40 5.153 6.540 -3.357 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.624 6.675 -2.265 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.345 7.039 -3.671 1.00 0.00 N ATOM 0 H ASN A 40 1.975 6.193 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 40 2.468 5.255 -5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.045 4.857 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.498 6.366 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.873 7.571 -2.980 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.731 6.890 -4.603 1.00 0.00 H new ATOM 605 N VAL A 41 3.375 3.032 -3.931 1.00 0.00 N ATOM 606 CA VAL A 41 3.437 1.753 -3.244 1.00 0.00 C ATOM 607 C VAL A 41 4.898 1.318 -3.117 1.00 0.00 C ATOM 608 O VAL A 41 5.542 0.992 -4.113 1.00 0.00 O ATOM 609 CB VAL A 41 2.569 0.725 -3.972 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.526 -0.599 -3.206 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.158 1.268 -4.208 1.00 0.00 C ATOM 0 H VAL A 41 3.588 2.992 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 41 3.035 1.842 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 41 3.022 0.534 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.902 -1.312 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.536 -0.998 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.109 -0.431 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.562 0.518 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.693 1.502 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.213 2.172 -4.815 1.00 0.00 H new ATOM 621 N ILE A 42 5.379 1.326 -1.882 1.00 0.00 N ATOM 622 CA ILE A 42 6.753 0.936 -1.612 1.00 0.00 C ATOM 623 C ILE A 42 6.771 -0.108 -0.494 1.00 0.00 C ATOM 624 O ILE A 42 7.221 0.173 0.616 1.00 0.00 O ATOM 625 CB ILE A 42 7.611 2.168 -1.316 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.210 3.342 -2.211 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.101 1.839 -1.435 1.00 0.00 C ATOM 628 CD1 ILE A 42 7.499 3.035 -3.682 1.00 0.00 C ATOM 0 H ILE A 42 4.842 1.596 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 42 7.197 0.470 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 42 7.430 2.472 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.149 3.556 -2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.755 4.237 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.689 2.731 -1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.358 1.055 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.318 1.497 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.204 3.886 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.565 2.845 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.934 2.154 -3.988 1.00 0.00 H new ATOM 640 N PHE A 43 6.276 -1.292 -0.825 1.00 0.00 N ATOM 641 CA PHE A 43 6.230 -2.380 0.137 1.00 0.00 C ATOM 642 C PHE A 43 7.480 -2.385 1.019 1.00 0.00 C ATOM 643 O PHE A 43 8.515 -1.841 0.638 1.00 0.00 O ATOM 644 CB PHE A 43 6.180 -3.683 -0.663 1.00 0.00 C ATOM 645 CG PHE A 43 4.822 -3.962 -1.312 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.821 -4.520 -0.582 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.618 -3.651 -2.621 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.561 -4.778 -1.184 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.358 -3.910 -3.223 1.00 0.00 C ATOM 650 CZ PHE A 43 2.357 -4.468 -2.492 1.00 0.00 C ATOM 0 H PHE A 43 5.903 -1.521 -1.746 1.00 0.00 H new ATOM 0 HA PHE A 43 5.361 -2.267 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.943 -3.650 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.433 -4.513 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.984 -4.767 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.413 -3.208 -3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.765 -5.220 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.195 -3.664 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.399 -4.665 -2.950 1.00 0.00 H new ATOM 660 N ASP A 44 7.343 -3.005 2.181 1.00 0.00 N ATOM 661 CA ASP A 44 8.448 -3.089 3.120 1.00 0.00 C ATOM 662 C ASP A 44 9.217 -4.390 2.882 1.00 0.00 C ATOM 663 O ASP A 44 10.443 -4.381 2.775 1.00 0.00 O ATOM 664 CB ASP A 44 7.944 -3.095 4.565 1.00 0.00 C ATOM 665 CG ASP A 44 8.884 -2.441 5.581 1.00 0.00 C ATOM 666 OD1 ASP A 44 8.806 -1.200 5.707 1.00 0.00 O ATOM 667 OD2 ASP A 44 9.658 -3.197 6.207 1.00 0.00 O ATOM 0 H ASP A 44 6.483 -3.455 2.494 1.00 0.00 H new ATOM 0 HA ASP A 44 9.088 -2.221 2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.982 -2.583 4.601 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.767 -4.127 4.868 1.00 0.00 H new ATOM 672 N LYS A 45 8.466 -5.479 2.807 1.00 0.00 N ATOM 673 CA LYS A 45 9.062 -6.785 2.584 1.00 0.00 C ATOM 674 C LYS A 45 8.016 -7.870 2.852 1.00 0.00 C ATOM 675 O LYS A 45 7.129 -7.690 3.684 1.00 0.00 O ATOM 676 CB LYS A 45 10.338 -6.942 3.413 1.00 0.00 C ATOM 677 CG LYS A 45 11.576 -6.973 2.516 1.00 0.00 C ATOM 678 CD LYS A 45 12.717 -7.744 3.181 1.00 0.00 C ATOM 679 CE LYS A 45 13.527 -8.527 2.145 1.00 0.00 C ATOM 680 NZ LYS A 45 14.955 -8.572 2.531 1.00 0.00 N ATOM 0 H LYS A 45 7.450 -5.484 2.897 1.00 0.00 H new ATOM 0 HA LYS A 45 9.372 -6.890 1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.419 -6.118 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.285 -7.861 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.326 -7.437 1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.898 -5.954 2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.370 -7.050 3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.312 -8.430 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.135 -9.541 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.423 -8.061 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.491 -9.107 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.329 -7.603 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.050 -9.037 3.456 1.00 0.00 H new ATOM 694 N VAL A 46 8.157 -8.973 2.131 1.00 0.00 N ATOM 695 CA VAL A 46 7.236 -10.087 2.281 1.00 0.00 C ATOM 696 C VAL A 46 8.032 -11.383 2.444 1.00 0.00 C ATOM 697 O VAL A 46 9.200 -11.450 2.065 1.00 0.00 O ATOM 698 CB VAL A 46 6.266 -10.126 1.098 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.365 -8.889 1.086 1.00 0.00 C ATOM 700 CG2 VAL A 46 7.020 -10.269 -0.225 1.00 0.00 C ATOM 0 H VAL A 46 8.895 -9.119 1.442 1.00 0.00 H new ATOM 0 HA VAL A 46 6.629 -9.963 3.178 1.00 0.00 H new ATOM 0 HB VAL A 46 5.629 -11.002 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.686 -8.942 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.788 -8.850 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.979 -7.992 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.307 -10.294 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.693 -9.422 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.598 -11.193 -0.217 1.00 0.00 H new ATOM 710 N PRO A 47 7.351 -12.407 3.024 1.00 0.00 N ATOM 711 CA PRO A 47 7.982 -13.697 3.243 1.00 0.00 C ATOM 712 C PRO A 47 8.105 -14.476 1.932 1.00 0.00 C ATOM 713 O PRO A 47 7.404 -14.185 0.963 1.00 0.00 O ATOM 714 CB PRO A 47 7.105 -14.396 4.268 1.00 0.00 C ATOM 715 CG PRO A 47 5.770 -13.669 4.240 1.00 0.00 C ATOM 716 CD PRO A 47 5.966 -12.364 3.486 1.00 0.00 C ATOM 0 HA PRO A 47 9.005 -13.608 3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.981 -15.450 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.553 -14.352 5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.012 -14.282 3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.419 -13.475 5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.272 -12.282 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.790 -11.503 4.132 1.00 0.00 H new ATOM 724 N ALA A 48 9.002 -15.451 1.942 1.00 0.00 N ATOM 725 CA ALA A 48 9.226 -16.274 0.765 1.00 0.00 C ATOM 726 C ALA A 48 7.885 -16.567 0.089 1.00 0.00 C ATOM 727 O ALA A 48 6.910 -16.906 0.758 1.00 0.00 O ATOM 728 CB ALA A 48 9.966 -17.551 1.169 1.00 0.00 C ATOM 0 H ALA A 48 9.582 -15.690 2.746 1.00 0.00 H new ATOM 0 HA ALA A 48 9.851 -15.749 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.134 -18.169 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.925 -17.290 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.367 -18.106 1.891 1.00 0.00 H new ATOM 734 N GLY A 49 7.879 -16.424 -1.228 1.00 0.00 N ATOM 735 CA GLY A 49 6.674 -16.668 -2.001 1.00 0.00 C ATOM 736 C GLY A 49 6.449 -15.559 -3.032 1.00 0.00 C ATOM 737 O GLY A 49 6.383 -15.826 -4.231 1.00 0.00 O ATOM 0 H GLY A 49 8.690 -16.142 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.751 -17.630 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.815 -16.728 -1.333 1.00 0.00 H new ATOM 741 N GLU A 50 6.339 -14.340 -2.526 1.00 0.00 N ATOM 742 CA GLU A 50 6.123 -13.190 -3.387 1.00 0.00 C ATOM 743 C GLU A 50 7.416 -12.384 -3.531 1.00 0.00 C ATOM 744 O GLU A 50 8.474 -12.815 -3.076 1.00 0.00 O ATOM 745 CB GLU A 50 4.987 -12.313 -2.858 1.00 0.00 C ATOM 746 CG GLU A 50 3.928 -12.076 -3.936 1.00 0.00 C ATOM 747 CD GLU A 50 4.078 -10.685 -4.556 1.00 0.00 C ATOM 748 OE1 GLU A 50 4.464 -9.767 -3.801 1.00 0.00 O ATOM 749 OE2 GLU A 50 3.804 -10.571 -5.770 1.00 0.00 O ATOM 0 H GLU A 50 6.395 -14.123 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 50 5.830 -13.550 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.528 -12.790 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.388 -11.357 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.018 -12.836 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.933 -12.179 -3.503 1.00 0.00 H new ATOM 756 N SER A 51 7.287 -11.227 -4.164 1.00 0.00 N ATOM 757 CA SER A 51 8.433 -10.357 -4.371 1.00 0.00 C ATOM 758 C SER A 51 8.089 -8.929 -3.945 1.00 0.00 C ATOM 759 O SER A 51 7.806 -8.076 -4.786 1.00 0.00 O ATOM 760 CB SER A 51 8.883 -10.380 -5.833 1.00 0.00 C ATOM 761 OG SER A 51 10.267 -10.695 -5.961 1.00 0.00 O ATOM 0 H SER A 51 6.408 -10.872 -4.540 1.00 0.00 H new ATOM 0 HA SER A 51 9.257 -10.724 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.292 -11.113 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.689 -9.408 -6.287 1.00 0.00 H new ATOM 0 HG SER A 51 10.515 -10.701 -6.909 1.00 0.00 H new ATOM 767 N ALA A 52 8.125 -8.710 -2.639 1.00 0.00 N ATOM 768 CA ALA A 52 7.820 -7.400 -2.090 1.00 0.00 C ATOM 769 C ALA A 52 8.719 -6.353 -2.752 1.00 0.00 C ATOM 770 O ALA A 52 8.236 -5.329 -3.232 1.00 0.00 O ATOM 771 CB ALA A 52 7.985 -7.432 -0.569 1.00 0.00 C ATOM 0 H ALA A 52 8.361 -9.419 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 52 6.786 -7.127 -2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.756 -6.449 -0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.305 -8.170 -0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.012 -7.699 -0.320 1.00 0.00 H new ATOM 777 N PRO A 53 10.045 -6.655 -2.756 1.00 0.00 N ATOM 778 CA PRO A 53 11.016 -5.752 -3.351 1.00 0.00 C ATOM 779 C PRO A 53 10.961 -5.817 -4.878 1.00 0.00 C ATOM 780 O PRO A 53 11.988 -5.992 -5.532 1.00 0.00 O ATOM 781 CB PRO A 53 12.358 -6.189 -2.785 1.00 0.00 C ATOM 782 CG PRO A 53 12.150 -7.602 -2.263 1.00 0.00 C ATOM 783 CD PRO A 53 10.654 -7.858 -2.196 1.00 0.00 C ATOM 0 HA PRO A 53 10.820 -4.707 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.132 -6.166 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.681 -5.521 -1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.632 -8.326 -2.919 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.601 -7.715 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.378 -8.744 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.327 -8.026 -1.170 1.00 0.00 H new ATOM 791 N ALA A 54 9.752 -5.674 -5.401 1.00 0.00 N ATOM 792 CA ALA A 54 9.551 -5.714 -6.840 1.00 0.00 C ATOM 793 C ALA A 54 8.224 -5.033 -7.183 1.00 0.00 C ATOM 794 O ALA A 54 8.155 -4.237 -8.118 1.00 0.00 O ATOM 795 CB ALA A 54 9.603 -7.165 -7.322 1.00 0.00 C ATOM 0 H ALA A 54 8.903 -5.530 -4.855 1.00 0.00 H new ATOM 0 HA ALA A 54 10.344 -5.171 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.452 -7.196 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.575 -7.594 -7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.819 -7.740 -6.830 1.00 0.00 H new ATOM 801 N LEU A 55 7.203 -5.372 -6.410 1.00 0.00 N ATOM 802 CA LEU A 55 5.883 -4.803 -6.620 1.00 0.00 C ATOM 803 C LEU A 55 5.899 -3.326 -6.221 1.00 0.00 C ATOM 804 O LEU A 55 5.131 -2.527 -6.754 1.00 0.00 O ATOM 805 CB LEU A 55 4.822 -5.626 -5.887 1.00 0.00 C ATOM 806 CG LEU A 55 4.224 -6.797 -6.669 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.341 -7.664 -5.769 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.471 -6.303 -7.907 1.00 0.00 C ATOM 0 H LEU A 55 7.263 -6.034 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 55 5.614 -4.846 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.262 -6.015 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.011 -4.959 -5.594 1.00 0.00 H new ATOM 0 HG LEU A 55 5.042 -7.426 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.929 -8.489 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.938 -8.061 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.527 -7.060 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.056 -7.156 -8.445 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.663 -5.639 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.157 -5.762 -8.559 1.00 0.00 H new ATOM 820 N SER A 56 6.782 -3.008 -5.285 1.00 0.00 N ATOM 821 CA SER A 56 6.909 -1.642 -4.808 1.00 0.00 C ATOM 822 C SER A 56 7.198 -0.702 -5.981 1.00 0.00 C ATOM 823 O SER A 56 8.352 -0.530 -6.372 1.00 0.00 O ATOM 824 CB SER A 56 8.009 -1.527 -3.751 1.00 0.00 C ATOM 825 OG SER A 56 8.999 -2.540 -3.899 1.00 0.00 O ATOM 0 H SER A 56 7.417 -3.674 -4.844 1.00 0.00 H new ATOM 0 HA SER A 56 5.966 -1.353 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.480 -0.547 -3.823 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.566 -1.596 -2.758 1.00 0.00 H new ATOM 0 HG SER A 56 8.669 -3.378 -3.513 1.00 0.00 H new ATOM 831 N ASN A 57 6.131 -0.120 -6.509 1.00 0.00 N ATOM 832 CA ASN A 57 6.258 0.796 -7.629 1.00 0.00 C ATOM 833 C ASN A 57 6.601 2.192 -7.104 1.00 0.00 C ATOM 834 O ASN A 57 5.811 2.800 -6.384 1.00 0.00 O ATOM 835 CB ASN A 57 4.946 0.895 -8.409 1.00 0.00 C ATOM 836 CG ASN A 57 5.172 0.623 -9.898 1.00 0.00 C ATOM 837 OD1 ASN A 57 6.290 0.549 -10.379 1.00 0.00 O ATOM 838 ND2 ASN A 57 4.050 0.477 -10.598 1.00 0.00 N ATOM 0 H ASN A 57 5.176 -0.265 -6.182 1.00 0.00 H new ATOM 0 HA ASN A 57 7.042 0.420 -8.286 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.227 0.180 -8.010 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.515 1.888 -8.278 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.095 0.291 -11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.145 0.551 -10.133 1.00 0.00 H new ATOM 845 N THR A 58 7.781 2.659 -7.485 1.00 0.00 N ATOM 846 CA THR A 58 8.239 3.971 -7.062 1.00 0.00 C ATOM 847 C THR A 58 7.807 5.038 -8.070 1.00 0.00 C ATOM 848 O THR A 58 8.537 5.997 -8.316 1.00 0.00 O ATOM 849 CB THR A 58 9.755 3.902 -6.863 1.00 0.00 C ATOM 850 OG1 THR A 58 10.105 5.207 -6.413 1.00 0.00 O ATOM 851 CG2 THR A 58 10.511 3.747 -8.184 1.00 0.00 C ATOM 0 H THR A 58 8.434 2.152 -8.082 1.00 0.00 H new ATOM 0 HA THR A 58 7.785 4.261 -6.114 1.00 0.00 H new ATOM 0 HB THR A 58 9.998 3.067 -6.206 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.851 5.866 -7.092 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.582 3.703 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.195 2.828 -8.679 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.295 4.599 -8.829 1.00 0.00 H new ATOM 859 N LYS A 59 6.622 4.834 -8.626 1.00 0.00 N ATOM 860 CA LYS A 59 6.083 5.766 -9.602 1.00 0.00 C ATOM 861 C LYS A 59 5.076 6.691 -8.916 1.00 0.00 C ATOM 862 O LYS A 59 3.869 6.542 -9.095 1.00 0.00 O ATOM 863 CB LYS A 59 5.507 5.012 -10.802 1.00 0.00 C ATOM 864 CG LYS A 59 4.862 5.977 -11.800 1.00 0.00 C ATOM 865 CD LYS A 59 4.087 5.217 -12.877 1.00 0.00 C ATOM 866 CE LYS A 59 4.009 6.029 -14.172 1.00 0.00 C ATOM 867 NZ LYS A 59 3.205 7.255 -13.967 1.00 0.00 N ATOM 0 H LYS A 59 6.020 4.037 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 59 6.875 6.398 -10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.299 4.449 -11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.767 4.289 -10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.190 6.654 -11.273 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.632 6.591 -12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.572 4.260 -13.072 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.081 4.998 -12.520 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.013 6.296 -14.502 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.565 5.423 -14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.105 7.760 -14.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.263 6.997 -13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.681 7.871 -13.277 1.00 0.00 H new ATOM 881 N LEU A 60 5.611 7.627 -8.146 1.00 0.00 N ATOM 882 CA LEU A 60 4.774 8.577 -7.432 1.00 0.00 C ATOM 883 C LEU A 60 3.761 9.188 -8.403 1.00 0.00 C ATOM 884 O LEU A 60 4.111 10.052 -9.207 1.00 0.00 O ATOM 885 CB LEU A 60 5.637 9.613 -6.710 1.00 0.00 C ATOM 886 CG LEU A 60 6.952 9.986 -7.394 1.00 0.00 C ATOM 887 CD1 LEU A 60 7.122 11.505 -7.467 1.00 0.00 C ATOM 888 CD2 LEU A 60 8.140 9.309 -6.707 1.00 0.00 C ATOM 0 H LEU A 60 6.613 7.748 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 60 4.204 8.072 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.048 10.521 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.864 9.236 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 60 6.919 9.616 -8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.066 11.742 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.298 11.936 -8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.123 11.920 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.063 9.592 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.187 9.626 -5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.018 8.227 -6.752 1.00 0.00 H new ATOM 900 N ALA A 61 2.528 8.716 -8.296 1.00 0.00 N ATOM 901 CA ALA A 61 1.463 9.206 -9.153 1.00 0.00 C ATOM 902 C ALA A 61 0.931 10.528 -8.596 1.00 0.00 C ATOM 903 O ALA A 61 0.253 10.545 -7.571 1.00 0.00 O ATOM 904 CB ALA A 61 0.371 8.141 -9.270 1.00 0.00 C ATOM 0 H ALA A 61 2.243 7.999 -7.629 1.00 0.00 H new ATOM 0 HA ALA A 61 1.839 9.400 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.428 8.509 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.793 7.232 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.031 7.922 -8.281 1.00 0.00 H new ATOM 910 N ILE A 62 1.259 11.603 -9.297 1.00 0.00 N ATOM 911 CA ILE A 62 0.823 12.927 -8.885 1.00 0.00 C ATOM 912 C ILE A 62 -0.678 13.070 -9.147 1.00 0.00 C ATOM 913 O ILE A 62 -1.427 13.496 -8.270 1.00 0.00 O ATOM 914 CB ILE A 62 1.671 14.006 -9.562 1.00 0.00 C ATOM 915 CG1 ILE A 62 3.163 13.692 -9.432 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.328 15.394 -9.019 1.00 0.00 C ATOM 917 CD1 ILE A 62 3.597 13.687 -7.965 1.00 0.00 C ATOM 0 H ILE A 62 1.822 11.585 -10.148 1.00 0.00 H new ATOM 0 HA ILE A 62 0.974 13.061 -7.814 1.00 0.00 H new ATOM 0 HB ILE A 62 1.434 14.009 -10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.374 12.721 -9.881 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.743 14.431 -9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.945 16.142 -9.517 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.276 15.608 -9.206 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.519 15.422 -7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.661 13.461 -7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.407 14.666 -7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.032 12.930 -7.421 1.00 0.00 H new ATOM 929 N ALA A 63 -1.071 12.706 -10.359 1.00 0.00 N ATOM 930 CA ALA A 63 -2.469 12.788 -10.748 1.00 0.00 C ATOM 931 C ALA A 63 -3.253 11.672 -10.055 1.00 0.00 C ATOM 932 O ALA A 63 -3.036 10.493 -10.330 1.00 0.00 O ATOM 933 CB ALA A 63 -2.579 12.718 -12.272 1.00 0.00 C ATOM 0 H ALA A 63 -0.446 12.354 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.900 13.738 -10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.627 12.779 -12.564 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.029 13.549 -12.715 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.159 11.776 -12.624 1.00 0.00 H new ATOM 939 N PRO A 64 -4.172 12.094 -9.145 1.00 0.00 N ATOM 940 CA PRO A 64 -4.989 11.143 -8.411 1.00 0.00 C ATOM 941 C PRO A 64 -6.088 10.561 -9.303 1.00 0.00 C ATOM 942 O PRO A 64 -6.722 11.288 -10.067 1.00 0.00 O ATOM 943 CB PRO A 64 -5.536 11.926 -7.229 1.00 0.00 C ATOM 944 CG PRO A 64 -5.386 13.394 -7.594 1.00 0.00 C ATOM 945 CD PRO A 64 -4.456 13.482 -8.794 1.00 0.00 C ATOM 0 HA PRO A 64 -4.423 10.276 -8.070 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.580 11.675 -7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.986 11.692 -6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.357 13.830 -7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.980 13.957 -6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.927 14.011 -9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.542 14.023 -8.548 1.00 0.00 H new ATOM 953 N GLY A 65 -6.280 9.256 -9.176 1.00 0.00 N ATOM 954 CA GLY A 65 -7.291 8.569 -9.960 1.00 0.00 C ATOM 955 C GLY A 65 -7.146 7.051 -9.832 1.00 0.00 C ATOM 956 O GLY A 65 -7.020 6.350 -10.834 1.00 0.00 O ATOM 0 H GLY A 65 -5.752 8.657 -8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.283 8.873 -9.627 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.204 8.859 -11.007 1.00 0.00 H new ATOM 960 N SER A 66 -7.169 6.589 -8.591 1.00 0.00 N ATOM 961 CA SER A 66 -7.042 5.168 -8.318 1.00 0.00 C ATOM 962 C SER A 66 -5.763 4.625 -8.959 1.00 0.00 C ATOM 963 O SER A 66 -5.778 4.184 -10.108 1.00 0.00 O ATOM 964 CB SER A 66 -8.260 4.397 -8.831 1.00 0.00 C ATOM 965 OG SER A 66 -9.303 4.341 -7.861 1.00 0.00 O ATOM 0 H SER A 66 -7.274 7.174 -7.762 1.00 0.00 H new ATOM 0 HA SER A 66 -6.987 5.031 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.634 4.871 -9.738 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.961 3.384 -9.101 1.00 0.00 H new ATOM 0 HG SER A 66 -10.063 3.842 -8.227 1.00 0.00 H new ATOM 971 N PHE A 67 -4.686 4.675 -8.190 1.00 0.00 N ATOM 972 CA PHE A 67 -3.401 4.194 -8.667 1.00 0.00 C ATOM 973 C PHE A 67 -3.571 2.943 -9.533 1.00 0.00 C ATOM 974 O PHE A 67 -3.611 3.034 -10.759 1.00 0.00 O ATOM 975 CB PHE A 67 -2.570 3.835 -7.433 1.00 0.00 C ATOM 976 CG PHE A 67 -1.523 4.888 -7.061 1.00 0.00 C ATOM 977 CD1 PHE A 67 -0.292 4.855 -7.637 1.00 0.00 C ATOM 978 CD2 PHE A 67 -1.826 5.856 -6.156 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.680 5.832 -7.291 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.855 6.833 -5.810 1.00 0.00 C ATOM 981 CZ PHE A 67 0.378 6.800 -6.386 1.00 0.00 C ATOM 0 H PHE A 67 -4.677 5.042 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.919 4.961 -9.273 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.240 3.689 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.067 2.884 -7.610 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.053 4.087 -8.357 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.805 5.882 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.659 5.805 -7.747 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.095 7.602 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.116 7.543 -6.124 1.00 0.00 H new ATOM 991 N TYR A 68 -3.668 1.805 -8.861 1.00 0.00 N ATOM 992 CA TYR A 68 -3.832 0.538 -9.553 1.00 0.00 C ATOM 993 C TYR A 68 -4.138 -0.589 -8.565 1.00 0.00 C ATOM 994 O TYR A 68 -4.123 -0.380 -7.353 1.00 0.00 O ATOM 995 CB TYR A 68 -2.494 0.254 -10.235 1.00 0.00 C ATOM 996 CG TYR A 68 -1.276 0.485 -9.338 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.049 -0.341 -8.257 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.404 1.520 -9.611 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.097 -0.124 -7.412 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.742 1.737 -8.767 1.00 0.00 C ATOM 1001 CZ TYR A 68 0.936 0.904 -7.709 1.00 0.00 C ATOM 1002 OH TYR A 68 2.018 1.110 -6.912 1.00 0.00 O ATOM 0 H TYR A 68 -3.636 1.734 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.658 0.591 -10.262 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.487 -0.780 -10.581 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.407 0.887 -11.118 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.731 -1.151 -8.044 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.582 2.167 -10.458 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.286 -0.763 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.432 2.543 -8.969 1.00 0.00 H new ATOM 0 HH TYR A 68 2.528 1.878 -7.245 1.00 0.00 H new ATOM 1012 N SER A 69 -4.410 -1.761 -9.121 1.00 0.00 N ATOM 1013 CA SER A 69 -4.718 -2.924 -8.305 1.00 0.00 C ATOM 1014 C SER A 69 -3.719 -4.045 -8.593 1.00 0.00 C ATOM 1015 O SER A 69 -3.081 -4.059 -9.644 1.00 0.00 O ATOM 1016 CB SER A 69 -6.148 -3.408 -8.555 1.00 0.00 C ATOM 1017 OG SER A 69 -6.979 -2.373 -9.076 1.00 0.00 O ATOM 0 H SER A 69 -4.424 -1.930 -10.127 1.00 0.00 H new ATOM 0 HA SER A 69 -4.639 -2.637 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.131 -4.245 -9.253 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.573 -3.779 -7.623 1.00 0.00 H new ATOM 0 HG SER A 69 -7.857 -2.409 -8.642 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.616 -4.961 -7.641 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.706 -6.085 -7.779 1.00 0.00 C ATOM 1025 C VAL A 70 -3.287 -7.299 -7.053 1.00 0.00 C ATOM 1026 O VAL A 70 -3.792 -7.178 -5.938 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.314 -5.697 -7.273 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.697 -4.605 -8.149 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.365 -5.260 -5.807 1.00 0.00 C ATOM 0 H VAL A 70 -4.148 -4.947 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.593 -6.357 -8.828 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.677 -6.579 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.291 -4.348 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.608 -4.967 -9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.334 -3.721 -8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.363 -4.990 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.026 -4.399 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.743 -6.080 -5.196 1.00 0.00 H new ATOM 1039 N THR A 71 -3.198 -8.443 -7.716 1.00 0.00 N ATOM 1040 CA THR A 71 -3.710 -9.679 -7.148 1.00 0.00 C ATOM 1041 C THR A 71 -2.583 -10.462 -6.473 1.00 0.00 C ATOM 1042 O THR A 71 -1.597 -10.819 -7.116 1.00 0.00 O ATOM 1043 CB THR A 71 -4.408 -10.458 -8.263 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.682 -9.830 -8.382 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.737 -11.896 -7.856 1.00 0.00 C ATOM 0 H THR A 71 -2.779 -8.540 -8.641 1.00 0.00 H new ATOM 0 HA THR A 71 -4.441 -9.481 -6.364 1.00 0.00 H new ATOM 0 HB THR A 71 -3.774 -10.468 -9.149 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.201 -10.273 -9.085 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.231 -12.404 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.816 -12.423 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.398 -11.887 -6.989 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.766 -10.708 -5.184 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.777 -11.442 -4.413 1.00 0.00 C ATOM 1055 C LEU A 72 -2.122 -12.932 -4.437 1.00 0.00 C ATOM 1056 O LEU A 72 -3.174 -13.321 -4.942 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.657 -10.862 -3.003 1.00 0.00 C ATOM 1058 CG LEU A 72 -1.025 -9.473 -2.901 1.00 0.00 C ATOM 1059 CD1 LEU A 72 0.473 -9.527 -3.210 1.00 0.00 C ATOM 1060 CD2 LEU A 72 -1.758 -8.469 -3.794 1.00 0.00 C ATOM 0 H LEU A 72 -3.585 -10.412 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.789 -11.335 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.653 -10.819 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.070 -11.552 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.130 -9.126 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.897 -8.526 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.968 -10.188 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.622 -9.905 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.288 -7.490 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.707 -8.800 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.801 -8.401 -3.485 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.216 -13.727 -3.886 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.411 -15.165 -3.838 1.00 0.00 C ATOM 1074 C GLY A 73 -0.694 -15.777 -2.633 1.00 0.00 C ATOM 1075 O GLY A 73 -1.333 -16.338 -1.745 1.00 0.00 O ATOM 0 H GLY A 73 -0.344 -13.401 -3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.476 -15.389 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.036 -15.617 -4.756 1.00 0.00 H new ATOM 1079 N THR A 74 0.625 -15.646 -2.641 1.00 0.00 N ATOM 1080 CA THR A 74 1.436 -16.178 -1.559 1.00 0.00 C ATOM 1081 C THR A 74 0.818 -15.825 -0.205 1.00 0.00 C ATOM 1082 O THR A 74 0.478 -14.670 0.044 1.00 0.00 O ATOM 1083 CB THR A 74 2.861 -15.649 -1.733 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.426 -16.494 -2.731 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.732 -15.896 -0.499 1.00 0.00 C ATOM 0 H THR A 74 1.152 -15.179 -3.379 1.00 0.00 H new ATOM 0 HA THR A 74 1.471 -17.267 -1.590 1.00 0.00 H new ATOM 0 HB THR A 74 2.828 -14.581 -1.946 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.696 -15.954 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.733 -15.502 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.291 -15.396 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.793 -16.967 -0.305 1.00 0.00 H new ATOM 1093 N PRO A 75 0.687 -16.869 0.657 1.00 0.00 N ATOM 1094 CA PRO A 75 0.115 -16.681 1.979 1.00 0.00 C ATOM 1095 C PRO A 75 1.110 -15.989 2.914 1.00 0.00 C ATOM 1096 O PRO A 75 2.315 -16.224 2.828 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.266 -18.076 2.445 1.00 0.00 C ATOM 1098 CG PRO A 75 0.525 -19.038 1.573 1.00 0.00 C ATOM 1099 CD PRO A 75 1.078 -18.251 0.395 1.00 0.00 C ATOM 0 HA PRO A 75 -0.757 -16.026 1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.024 -18.215 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.338 -18.244 2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.335 -19.492 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.113 -19.850 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.161 -18.350 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.665 -18.607 -0.549 1.00 0.00 H new ATOM 1107 N GLY A 76 0.570 -15.149 3.784 1.00 0.00 N ATOM 1108 CA GLY A 76 1.395 -14.423 4.734 1.00 0.00 C ATOM 1109 C GLY A 76 0.907 -12.981 4.892 1.00 0.00 C ATOM 1110 O GLY A 76 -0.081 -12.584 4.275 1.00 0.00 O ATOM 0 H GLY A 76 -0.429 -14.955 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.372 -14.927 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.432 -14.425 4.397 1.00 0.00 H new ATOM 1114 N THR A 77 1.623 -12.236 5.721 1.00 0.00 N ATOM 1115 CA THR A 77 1.276 -10.847 5.969 1.00 0.00 C ATOM 1116 C THR A 77 2.270 -9.917 5.271 1.00 0.00 C ATOM 1117 O THR A 77 3.463 -9.939 5.569 1.00 0.00 O ATOM 1118 CB THR A 77 1.209 -10.638 7.483 1.00 0.00 C ATOM 1119 OG1 THR A 77 -0.003 -11.280 7.869 1.00 0.00 O ATOM 1120 CG2 THR A 77 0.993 -9.172 7.864 1.00 0.00 C ATOM 0 H THR A 77 2.442 -12.568 6.230 1.00 0.00 H new ATOM 0 HA THR A 77 0.300 -10.603 5.550 1.00 0.00 H new ATOM 0 HB THR A 77 2.131 -10.999 7.940 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.125 -11.194 8.838 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.953 -9.080 8.949 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.817 -8.571 7.479 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.055 -8.819 7.435 1.00 0.00 H new ATOM 1128 N TYR A 78 1.742 -9.119 4.353 1.00 0.00 N ATOM 1129 CA TYR A 78 2.568 -8.183 3.610 1.00 0.00 C ATOM 1130 C TYR A 78 2.581 -6.809 4.284 1.00 0.00 C ATOM 1131 O TYR A 78 1.551 -6.341 4.766 1.00 0.00 O ATOM 1132 CB TYR A 78 1.921 -8.055 2.229 1.00 0.00 C ATOM 1133 CG TYR A 78 2.091 -9.292 1.346 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.597 -10.511 1.763 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.738 -9.188 0.131 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.756 -11.675 0.931 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.898 -10.353 -0.700 1.00 0.00 C ATOM 1138 CZ TYR A 78 2.400 -11.539 -0.260 1.00 0.00 C ATOM 1139 OH TYR A 78 2.550 -12.638 -1.046 1.00 0.00 O ATOM 0 H TYR A 78 0.752 -9.102 4.107 1.00 0.00 H new ATOM 0 HA TYR A 78 3.598 -8.536 3.558 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.857 -7.854 2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.350 -7.194 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.091 -10.592 2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.124 -8.234 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.373 -12.635 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.403 -10.286 -1.652 1.00 0.00 H new ATOM 0 HH TYR A 78 1.869 -13.303 -0.812 1.00 0.00 H new ATOM 1149 N SER A 79 3.758 -6.202 4.295 1.00 0.00 N ATOM 1150 CA SER A 79 3.919 -4.892 4.902 1.00 0.00 C ATOM 1151 C SER A 79 4.435 -3.894 3.863 1.00 0.00 C ATOM 1152 O SER A 79 5.198 -4.260 2.970 1.00 0.00 O ATOM 1153 CB SER A 79 4.871 -4.951 6.098 1.00 0.00 C ATOM 1154 OG SER A 79 5.946 -5.861 5.881 1.00 0.00 O ATOM 0 H SER A 79 4.610 -6.593 3.893 1.00 0.00 H new ATOM 0 HA SER A 79 2.945 -4.561 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.272 -3.956 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.317 -5.250 6.988 1.00 0.00 H new ATOM 0 HG SER A 79 6.532 -5.868 6.667 1.00 0.00 H new ATOM 1160 N PHE A 80 3.995 -2.652 4.013 1.00 0.00 N ATOM 1161 CA PHE A 80 4.403 -1.599 3.098 1.00 0.00 C ATOM 1162 C PHE A 80 4.482 -0.250 3.816 1.00 0.00 C ATOM 1163 O PHE A 80 4.331 -0.182 5.035 1.00 0.00 O ATOM 1164 CB PHE A 80 3.337 -1.519 2.004 1.00 0.00 C ATOM 1165 CG PHE A 80 1.902 -1.488 2.535 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.307 -2.635 2.957 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.222 -0.311 2.585 1.00 0.00 C ATOM 1168 CE1 PHE A 80 -0.025 -2.605 3.449 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.110 -0.280 3.077 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.705 -1.429 3.499 1.00 0.00 C ATOM 0 H PHE A 80 3.361 -2.352 4.754 1.00 0.00 H new ATOM 0 HA PHE A 80 5.389 -1.822 2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.512 -0.625 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.449 -2.375 1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.847 -3.569 2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.695 0.600 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.498 -3.517 3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.650 0.654 3.116 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.718 -1.406 3.874 1.00 0.00 H new ATOM 1180 N TYR A 81 4.717 0.790 3.030 1.00 0.00 N ATOM 1181 CA TYR A 81 4.818 2.133 3.575 1.00 0.00 C ATOM 1182 C TYR A 81 4.898 3.174 2.456 1.00 0.00 C ATOM 1183 O TYR A 81 5.126 2.829 1.298 1.00 0.00 O ATOM 1184 CB TYR A 81 6.120 2.165 4.378 1.00 0.00 C ATOM 1185 CG TYR A 81 7.379 1.973 3.531 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.835 3.000 2.729 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.059 0.773 3.568 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.020 2.819 1.932 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.245 0.592 2.771 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.667 1.624 1.992 1.00 0.00 C ATOM 1191 OH TYR A 81 10.786 1.453 1.239 1.00 0.00 O ATOM 0 H TYR A 81 4.840 0.730 2.019 1.00 0.00 H new ATOM 0 HA TYR A 81 3.945 2.367 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.189 3.119 4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.084 1.386 5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.303 3.939 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.702 -0.031 4.195 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.387 3.614 1.300 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.787 -0.342 2.791 1.00 0.00 H new ATOM 0 HH TYR A 81 11.143 0.552 1.383 1.00 0.00 H new ATOM 1201 N CYS A 82 4.704 4.426 2.843 1.00 0.00 N ATOM 1202 CA CYS A 82 4.751 5.520 1.888 1.00 0.00 C ATOM 1203 C CYS A 82 6.169 6.093 1.882 1.00 0.00 C ATOM 1204 O CYS A 82 6.684 6.497 2.923 1.00 0.00 O ATOM 1205 CB CYS A 82 3.704 6.591 2.203 1.00 0.00 C ATOM 1206 SG CYS A 82 2.855 7.288 0.738 1.00 0.00 S ATOM 0 H CYS A 82 4.514 4.707 3.805 1.00 0.00 H new ATOM 0 HA CYS A 82 4.507 5.148 0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.956 6.163 2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.187 7.403 2.746 1.00 0.00 H new ATOM 1211 N THR A 83 6.761 6.110 0.696 1.00 0.00 N ATOM 1212 CA THR A 83 8.110 6.628 0.541 1.00 0.00 C ATOM 1213 C THR A 83 8.211 8.037 1.126 1.00 0.00 C ATOM 1214 O THR A 83 9.100 8.317 1.929 1.00 0.00 O ATOM 1215 CB THR A 83 8.475 6.558 -0.943 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.365 5.448 -1.030 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.321 7.749 -1.394 1.00 0.00 C ATOM 0 H THR A 83 6.331 5.774 -0.166 1.00 0.00 H new ATOM 0 HA THR A 83 8.831 6.028 1.097 1.00 0.00 H new ATOM 0 HB THR A 83 7.563 6.513 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.550 5.250 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.552 7.650 -2.455 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.767 8.673 -1.228 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.248 7.774 -0.821 1.00 0.00 H new ATOM 1225 N PRO A 84 7.265 8.910 0.690 1.00 0.00 N ATOM 1226 CA PRO A 84 7.238 10.284 1.162 1.00 0.00 C ATOM 1227 C PRO A 84 6.702 10.363 2.592 1.00 0.00 C ATOM 1228 O PRO A 84 7.392 10.838 3.494 1.00 0.00 O ATOM 1229 CB PRO A 84 6.370 11.028 0.160 1.00 0.00 C ATOM 1230 CG PRO A 84 5.568 9.962 -0.567 1.00 0.00 C ATOM 1231 CD PRO A 84 6.196 8.613 -0.260 1.00 0.00 C ATOM 0 HA PRO A 84 8.232 10.729 1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.712 11.737 0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.981 11.601 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.527 9.981 -0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.571 10.149 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.467 7.925 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.587 8.144 -1.163 1.00 0.00 H new ATOM 1239 N HIS A 85 5.476 9.890 2.758 1.00 0.00 N ATOM 1240 CA HIS A 85 4.837 9.900 4.063 1.00 0.00 C ATOM 1241 C HIS A 85 5.395 8.758 4.916 1.00 0.00 C ATOM 1242 O HIS A 85 4.641 7.919 5.404 1.00 0.00 O ATOM 1243 CB HIS A 85 3.315 9.848 3.924 1.00 0.00 C ATOM 1244 CG HIS A 85 2.747 10.891 2.992 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.131 10.572 1.795 1.00 0.00 N ATOM 1246 CD2 HIS A 85 2.707 12.251 3.095 1.00 0.00 C ATOM 1247 CE1 HIS A 85 1.743 11.696 1.211 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.101 12.736 2.018 1.00 0.00 N ATOM 0 H HIS A 85 4.907 9.496 2.009 1.00 0.00 H new ATOM 0 HA HIS A 85 5.064 10.835 4.576 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.027 8.860 3.565 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.866 9.973 4.909 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.102 12.834 3.914 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.233 11.775 0.262 1.00 0.00 H new ATOM 0 HE2 HIS A 85 1.931 13.723 1.826 1.00 0.00 H new ATOM 1256 N ARG A 86 6.711 8.765 5.067 1.00 0.00 N ATOM 1257 CA ARG A 86 7.378 7.740 5.852 1.00 0.00 C ATOM 1258 C ARG A 86 7.489 8.178 7.314 1.00 0.00 C ATOM 1259 O ARG A 86 7.382 7.357 8.223 1.00 0.00 O ATOM 1260 CB ARG A 86 8.777 7.451 5.306 1.00 0.00 C ATOM 1261 CG ARG A 86 9.691 8.668 5.467 1.00 0.00 C ATOM 1262 CD ARG A 86 11.085 8.386 4.903 1.00 0.00 C ATOM 1263 NE ARG A 86 12.013 9.476 5.278 1.00 0.00 N ATOM 1264 CZ ARG A 86 13.134 9.773 4.607 1.00 0.00 C ATOM 1265 NH1 ARG A 86 13.474 9.063 3.522 1.00 0.00 N ATOM 1266 NH2 ARG A 86 13.917 10.779 5.020 1.00 0.00 N ATOM 0 H ARG A 86 7.333 9.463 4.660 1.00 0.00 H new ATOM 0 HA ARG A 86 6.780 6.831 5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.207 6.597 5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.711 7.178 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.254 9.525 4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.768 8.932 6.522 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.455 7.435 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.036 8.296 3.818 1.00 0.00 H new ATOM 0 HE ARG A 86 11.785 10.037 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.879 8.297 3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.327 9.289 3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.660 11.319 5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.770 11.004 4.508 1.00 0.00 H new ATOM 1280 N GLY A 87 7.704 9.474 7.494 1.00 0.00 N ATOM 1281 CA GLY A 87 7.831 10.032 8.830 1.00 0.00 C ATOM 1282 C GLY A 87 6.468 10.456 9.379 1.00 0.00 C ATOM 1283 O GLY A 87 6.247 10.432 10.589 1.00 0.00 O ATOM 0 H GLY A 87 7.793 10.153 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.281 9.295 9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.501 10.891 8.807 1.00 0.00 H new ATOM 1287 N ALA A 88 5.588 10.834 8.464 1.00 0.00 N ATOM 1288 CA ALA A 88 4.251 11.262 8.840 1.00 0.00 C ATOM 1289 C ALA A 88 3.488 10.076 9.433 1.00 0.00 C ATOM 1290 O ALA A 88 2.440 10.254 10.049 1.00 0.00 O ATOM 1291 CB ALA A 88 3.545 11.862 7.623 1.00 0.00 C ATOM 0 H ALA A 88 5.775 10.853 7.461 1.00 0.00 H new ATOM 0 HA ALA A 88 4.297 12.038 9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.542 12.183 7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.111 12.719 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.477 11.112 6.835 1.00 0.00 H new ATOM 1297 N GLY A 89 4.045 8.893 9.225 1.00 0.00 N ATOM 1298 CA GLY A 89 3.430 7.677 9.731 1.00 0.00 C ATOM 1299 C GLY A 89 2.319 7.195 8.796 1.00 0.00 C ATOM 1300 O GLY A 89 1.143 7.474 9.026 1.00 0.00 O ATOM 0 H GLY A 89 4.916 8.750 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.186 6.899 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.021 7.858 10.725 1.00 0.00 H new ATOM 1304 N MET A 90 2.731 6.479 7.760 1.00 0.00 N ATOM 1305 CA MET A 90 1.785 5.954 6.789 1.00 0.00 C ATOM 1306 C MET A 90 2.188 4.551 6.332 1.00 0.00 C ATOM 1307 O MET A 90 2.725 4.380 5.239 1.00 0.00 O ATOM 1308 CB MET A 90 1.726 6.888 5.578 1.00 0.00 C ATOM 1309 CG MET A 90 0.671 6.419 4.575 1.00 0.00 C ATOM 1310 SD MET A 90 -0.047 7.824 3.742 1.00 0.00 S ATOM 1311 CE MET A 90 -0.821 7.004 2.359 1.00 0.00 C ATOM 0 H MET A 90 3.707 6.250 7.572 1.00 0.00 H new ATOM 0 HA MET A 90 0.805 5.893 7.262 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.495 7.901 5.907 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.702 6.924 5.094 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.124 5.746 3.847 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.107 5.855 5.090 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.594 7.649 1.940 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.072 6.792 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 90 -1.271 6.070 2.695 1.00 0.00 H new ATOM 1321 N VAL A 91 1.915 3.583 7.194 1.00 0.00 N ATOM 1322 CA VAL A 91 2.242 2.199 6.893 1.00 0.00 C ATOM 1323 C VAL A 91 1.014 1.322 7.146 1.00 0.00 C ATOM 1324 O VAL A 91 0.218 1.606 8.038 1.00 0.00 O ATOM 1325 CB VAL A 91 3.465 1.763 7.702 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.750 2.351 7.113 1.00 0.00 C ATOM 1327 CG2 VAL A 91 3.313 2.145 9.176 1.00 0.00 C ATOM 0 H VAL A 91 1.471 3.729 8.101 1.00 0.00 H new ATOM 0 HA VAL A 91 2.508 2.089 5.842 1.00 0.00 H new ATOM 0 HB VAL A 91 3.535 0.677 7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.604 2.026 7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.870 2.007 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.692 3.439 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.196 1.823 9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.205 3.226 9.262 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.430 1.658 9.589 1.00 0.00 H new ATOM 1337 N GLY A 92 0.902 0.272 6.345 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.216 -0.648 6.471 1.00 0.00 C ATOM 1339 C GLY A 92 0.250 -2.099 6.327 1.00 0.00 C ATOM 1340 O GLY A 92 1.449 -2.367 6.285 1.00 0.00 O ATOM 0 H GLY A 92 1.566 0.038 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.697 -0.511 7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.963 -0.425 5.709 1.00 0.00 H new ATOM 1344 N THR A 93 -0.723 -2.995 6.255 1.00 0.00 N ATOM 1345 CA THR A 93 -0.428 -4.411 6.116 1.00 0.00 C ATOM 1346 C THR A 93 -1.507 -5.101 5.281 1.00 0.00 C ATOM 1347 O THR A 93 -2.614 -4.582 5.137 1.00 0.00 O ATOM 1348 CB THR A 93 -0.275 -5.002 7.519 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.324 -3.952 8.274 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.754 -6.132 7.569 1.00 0.00 C ATOM 0 H THR A 93 -1.717 -2.768 6.290 1.00 0.00 H new ATOM 0 HA THR A 93 0.506 -4.569 5.577 1.00 0.00 H new ATOM 0 HB THR A 93 -1.240 -5.375 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.458 -4.249 9.198 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.824 -6.516 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.446 -6.934 6.899 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.727 -5.752 7.257 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.150 -6.261 4.751 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.073 -7.027 3.932 1.00 0.00 C ATOM 1360 C ILE A 94 -1.849 -8.521 4.181 1.00 0.00 C ATOM 1361 O ILE A 94 -0.731 -9.014 4.048 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.950 -6.623 2.462 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.444 -5.192 2.244 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.672 -7.624 1.556 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.029 -4.673 0.866 1.00 0.00 C ATOM 0 H ILE A 94 -0.233 -6.690 4.873 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.103 -6.807 4.212 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.895 -6.644 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.530 -5.160 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.039 -4.541 3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.569 -7.314 0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.233 -8.613 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.729 -7.659 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.393 -3.654 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.942 -4.683 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.456 -5.312 0.093 1.00 0.00 H new ATOM 1377 N THR A 95 -2.931 -9.198 4.537 1.00 0.00 N ATOM 1378 CA THR A 95 -2.866 -10.624 4.806 1.00 0.00 C ATOM 1379 C THR A 95 -3.521 -11.411 3.669 1.00 0.00 C ATOM 1380 O THR A 95 -4.516 -10.969 3.096 1.00 0.00 O ATOM 1381 CB THR A 95 -3.510 -10.879 6.170 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.773 -10.048 7.062 1.00 0.00 O ATOM 1383 CG2 THR A 95 -3.253 -12.296 6.684 1.00 0.00 C ATOM 0 H THR A 95 -3.857 -8.785 4.645 1.00 0.00 H new ATOM 0 HA THR A 95 -1.834 -10.971 4.848 1.00 0.00 H new ATOM 0 HB THR A 95 -4.584 -10.707 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.907 -10.464 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.732 -12.423 7.655 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.664 -13.019 5.979 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.180 -12.457 6.785 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.938 -12.564 3.376 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.452 -13.416 2.317 1.00 0.00 C ATOM 1393 C VAL A 96 -3.661 -14.830 2.864 1.00 0.00 C ATOM 1394 O VAL A 96 -2.872 -15.731 2.580 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.514 -13.374 1.110 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.680 -14.623 0.242 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.736 -12.103 0.287 1.00 0.00 C ATOM 0 H VAL A 96 -2.114 -12.928 3.854 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.420 -13.054 1.971 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.490 -13.358 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.001 -14.567 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.449 -15.510 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.708 -14.683 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.056 -12.098 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.766 -12.076 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.544 -11.229 0.909 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.727 -14.979 3.636 1.00 0.00 N ATOM 1408 CA GLU A 97 -5.049 -16.269 4.224 1.00 0.00 C ATOM 1409 C GLU A 97 -5.642 -17.202 3.166 1.00 0.00 C ATOM 1410 O GLU A 97 -6.330 -18.166 3.499 1.00 0.00 O ATOM 1411 CB GLU A 97 -6.003 -16.107 5.410 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.229 -15.855 6.706 1.00 0.00 C ATOM 1413 CD GLU A 97 -5.704 -16.791 7.819 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -6.741 -16.463 8.432 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -5.018 -17.815 8.030 1.00 0.00 O ATOM 1416 OXT GLU A 97 -5.353 -16.882 1.913 1.00 0.00 O ATOM 0 H GLU A 97 -5.378 -14.229 3.868 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.128 -16.716 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.685 -15.277 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.614 -17.004 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.163 -16.003 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.361 -14.819 7.017 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.205 8.877 1.281 1.00 0.00 CU