USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 381 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 5 THR OG1 : rot 130:sc= -0.0569 USER MOD Set 1.2: A 21 THR OG1 : rot 132:sc= 0.869 USER MOD Set 1.3: A 41 ASN : amide:sc= -4.43! C(o=-3.6!,f=-5.8!) USER MOD Set 2.1: A 27 THR OG1 : rot -120:sc= 0.795 USER MOD Set 2.2: A 35 THR OG1 : rot -169:sc= 0.0937 USER MOD Set 3.1: A 24 GLN : amide:sc= -0.138 K(o=0.26,f=-0.54) USER MOD Set 3.2: A 36 THR OG1 : rot -56:sc= 0.395 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -169:sc=-0.00381 (180deg=-0.145) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 140:sc= -0.973 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 142:sc= -0.161 (180deg=-1.04) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0255) USER MOD Single : A 19 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.3!) USER MOD Single : A 20 CYS SG : rot -158:sc= -1.85! USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0266 F(o=-1.5,f=-0.027) USER MOD Single : A 29 SER OG : rot 180:sc= -0.146 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.54! C(o=-4.5!,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.631 14.559 -5.204 1.00 0.00 N ATOM 2 CA LYS A 1 -2.003 13.988 -6.428 1.00 0.00 C ATOM 3 C LYS A 1 -1.459 12.597 -6.066 1.00 0.00 C ATOM 4 O LYS A 1 -0.269 12.401 -5.898 1.00 0.00 O ATOM 5 CB LYS A 1 -0.853 14.924 -6.919 1.00 0.00 C ATOM 6 CG LYS A 1 -0.309 14.450 -8.303 1.00 0.00 C ATOM 7 CD LYS A 1 -1.305 14.854 -9.427 1.00 0.00 C ATOM 8 CE LYS A 1 -0.873 14.262 -10.789 1.00 0.00 C ATOM 9 NZ LYS A 1 0.515 14.677 -11.137 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.010 15.504 -5.417 1.00 0.00 H new ATOM 0 H2 LYS A 1 -3.404 13.939 -4.889 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.918 14.634 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 1 -2.730 13.904 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.219 15.948 -6.998 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.045 14.930 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.667 14.896 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.170 13.369 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -2.306 14.503 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.357 15.940 -9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.932 13.174 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.561 14.592 -11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.714 14.427 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.611 15.705 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.190 14.189 -10.514 1.00 0.00 H new ATOM 25 N THR A 2 -2.385 11.676 -5.957 1.00 0.00 N ATOM 26 CA THR A 2 -2.043 10.257 -5.611 1.00 0.00 C ATOM 27 C THR A 2 -2.305 9.399 -6.865 1.00 0.00 C ATOM 28 O THR A 2 -2.941 9.852 -7.797 1.00 0.00 O ATOM 29 CB THR A 2 -2.944 9.801 -4.427 1.00 0.00 C ATOM 30 OG1 THR A 2 -2.832 10.845 -3.472 1.00 0.00 O ATOM 31 CG2 THR A 2 -2.323 8.613 -3.673 1.00 0.00 C ATOM 0 H THR A 2 -3.381 11.849 -6.095 1.00 0.00 H new ATOM 0 HA THR A 2 -1.001 10.154 -5.309 1.00 0.00 H new ATOM 0 HB THR A 2 -3.938 9.561 -4.804 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.379 10.631 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.978 8.320 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.200 7.773 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.351 8.903 -3.275 1.00 0.00 H new ATOM 39 N GLY A 3 -1.803 8.190 -6.841 1.00 0.00 N ATOM 40 CA GLY A 3 -1.970 7.240 -7.989 1.00 0.00 C ATOM 41 C GLY A 3 -0.579 6.920 -8.547 1.00 0.00 C ATOM 42 O GLY A 3 -0.006 7.728 -9.251 1.00 0.00 O ATOM 0 H GLY A 3 -1.272 7.811 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.467 6.328 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.598 7.683 -8.762 1.00 0.00 H new ATOM 46 N GLY A 4 -0.085 5.753 -8.213 1.00 0.00 N ATOM 47 CA GLY A 4 1.268 5.299 -8.679 1.00 0.00 C ATOM 48 C GLY A 4 1.162 4.005 -9.480 1.00 0.00 C ATOM 49 O GLY A 4 1.795 3.848 -10.506 1.00 0.00 O ATOM 0 H GLY A 4 -0.573 5.079 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.725 6.075 -9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.921 5.147 -7.820 1.00 0.00 H new ATOM 53 N THR A 5 0.353 3.124 -8.961 1.00 0.00 N ATOM 54 CA THR A 5 0.109 1.792 -9.588 1.00 0.00 C ATOM 55 C THR A 5 -1.374 1.608 -9.875 1.00 0.00 C ATOM 56 O THR A 5 -1.760 1.320 -10.990 1.00 0.00 O ATOM 57 CB THR A 5 0.582 0.655 -8.645 1.00 0.00 C ATOM 58 OG1 THR A 5 0.113 0.936 -7.330 1.00 0.00 O ATOM 59 CG2 THR A 5 2.109 0.614 -8.518 1.00 0.00 C ATOM 0 H THR A 5 -0.168 3.278 -8.097 1.00 0.00 H new ATOM 0 HA THR A 5 0.671 1.749 -10.521 1.00 0.00 H new ATOM 0 HB THR A 5 0.207 -0.282 -9.058 1.00 0.00 H new ATOM 0 HG1 THR A 5 -0.334 0.144 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.397 -0.197 -7.849 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.551 0.448 -9.500 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.466 1.562 -8.115 1.00 0.00 H new ATOM 67 N GLN A 6 -2.130 1.780 -8.823 1.00 0.00 N ATOM 68 CA GLN A 6 -3.622 1.658 -8.816 1.00 0.00 C ATOM 69 C GLN A 6 -3.850 0.130 -8.807 1.00 0.00 C ATOM 70 O GLN A 6 -4.391 -0.440 -9.734 1.00 0.00 O ATOM 71 CB GLN A 6 -4.217 2.332 -10.100 1.00 0.00 C ATOM 72 CG GLN A 6 -5.722 2.541 -9.915 1.00 0.00 C ATOM 73 CD GLN A 6 -6.306 3.123 -11.206 1.00 0.00 C ATOM 74 OE1 GLN A 6 -6.400 2.452 -12.214 1.00 0.00 O ATOM 75 NE2 GLN A 6 -6.708 4.368 -11.226 1.00 0.00 N ATOM 0 H GLN A 6 -1.746 2.016 -7.908 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.106 2.150 -7.973 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.726 3.288 -10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -4.030 1.706 -10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.207 1.595 -9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.909 3.216 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.634 4.941 -10.386 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.095 4.765 -12.082 1.00 0.00 H new ATOM 84 N THR A 7 -3.412 -0.476 -7.730 1.00 0.00 N ATOM 85 CA THR A 7 -3.534 -1.960 -7.548 1.00 0.00 C ATOM 86 C THR A 7 -4.642 -2.384 -6.561 1.00 0.00 C ATOM 87 O THR A 7 -5.213 -1.573 -5.859 1.00 0.00 O ATOM 88 CB THR A 7 -2.126 -2.472 -7.075 1.00 0.00 C ATOM 89 OG1 THR A 7 -2.200 -3.891 -7.025 1.00 0.00 O ATOM 90 CG2 THR A 7 -1.781 -2.055 -5.624 1.00 0.00 C ATOM 0 H THR A 7 -2.964 0.006 -6.951 1.00 0.00 H new ATOM 0 HA THR A 7 -3.834 -2.409 -8.495 1.00 0.00 H new ATOM 0 HB THR A 7 -1.385 -2.061 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.365 -4.274 -7.365 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.796 -2.440 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.778 -0.968 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.526 -2.464 -4.941 1.00 0.00 H new ATOM 98 N ASP A 8 -4.923 -3.665 -6.551 1.00 0.00 N ATOM 99 CA ASP A 8 -5.971 -4.216 -5.637 1.00 0.00 C ATOM 100 C ASP A 8 -5.517 -5.419 -4.779 1.00 0.00 C ATOM 101 O ASP A 8 -6.280 -6.356 -4.625 1.00 0.00 O ATOM 102 CB ASP A 8 -7.189 -4.588 -6.529 1.00 0.00 C ATOM 103 CG ASP A 8 -6.775 -5.566 -7.654 1.00 0.00 C ATOM 104 OD1 ASP A 8 -6.535 -6.718 -7.330 1.00 0.00 O ATOM 105 OD2 ASP A 8 -6.716 -5.105 -8.784 1.00 0.00 O ATOM 0 H ASP A 8 -4.466 -4.358 -7.143 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.219 -3.454 -4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.968 -5.042 -5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.614 -3.684 -6.966 1.00 0.00 H new ATOM 110 N LEU A 9 -4.323 -5.393 -4.228 1.00 0.00 N ATOM 111 CA LEU A 9 -3.857 -6.525 -3.400 1.00 0.00 C ATOM 112 C LEU A 9 -3.828 -6.163 -1.902 1.00 0.00 C ATOM 113 O LEU A 9 -3.230 -6.841 -1.088 1.00 0.00 O ATOM 114 CB LEU A 9 -2.468 -6.922 -3.942 1.00 0.00 C ATOM 115 CG LEU A 9 -1.219 -6.215 -3.549 1.00 0.00 C ATOM 116 CD1 LEU A 9 -0.018 -6.983 -4.171 1.00 0.00 C ATOM 117 CD2 LEU A 9 -1.180 -4.785 -4.094 1.00 0.00 C ATOM 0 H LEU A 9 -3.657 -4.626 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.543 -7.370 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.324 -7.972 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.530 -6.863 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.175 -6.178 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.913 -6.485 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.006 -8.006 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.118 -6.997 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.252 -4.303 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.231 -4.809 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.028 -4.223 -3.703 1.00 0.00 H new ATOM 129 N PHE A 10 -4.499 -5.078 -1.622 1.00 0.00 N ATOM 130 CA PHE A 10 -4.638 -4.504 -0.243 1.00 0.00 C ATOM 131 C PHE A 10 -5.975 -3.761 -0.111 1.00 0.00 C ATOM 132 O PHE A 10 -6.489 -3.278 -1.102 1.00 0.00 O ATOM 133 CB PHE A 10 -3.486 -3.568 -0.025 1.00 0.00 C ATOM 134 CG PHE A 10 -2.209 -4.387 0.111 1.00 0.00 C ATOM 135 CD1 PHE A 10 -1.892 -5.067 1.267 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.370 -4.459 -0.957 1.00 0.00 C ATOM 137 CE1 PHE A 10 -0.733 -5.811 1.333 1.00 0.00 C ATOM 138 CE2 PHE A 10 -0.218 -5.196 -0.912 1.00 0.00 C ATOM 139 CZ PHE A 10 0.112 -5.881 0.240 1.00 0.00 C ATOM 0 H PHE A 10 -4.985 -4.533 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.627 -5.295 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.401 -2.872 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.649 -2.971 0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.551 -5.017 2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.619 -3.923 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.484 -6.341 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.430 -5.242 -1.774 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.019 -6.465 0.287 1.00 0.00 H new ATOM 149 N THR A 11 -6.501 -3.688 1.088 1.00 0.00 N ATOM 150 CA THR A 11 -7.796 -2.972 1.304 1.00 0.00 C ATOM 151 C THR A 11 -7.488 -1.701 2.089 1.00 0.00 C ATOM 152 O THR A 11 -6.519 -1.609 2.816 1.00 0.00 O ATOM 153 CB THR A 11 -8.781 -3.822 2.141 1.00 0.00 C ATOM 154 OG1 THR A 11 -9.296 -4.789 1.237 1.00 0.00 O ATOM 155 CG2 THR A 11 -10.014 -2.985 2.647 1.00 0.00 C ATOM 0 H THR A 11 -6.088 -4.094 1.927 1.00 0.00 H new ATOM 0 HA THR A 11 -8.254 -2.765 0.337 1.00 0.00 H new ATOM 0 HB THR A 11 -8.264 -4.229 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.932 -5.369 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.675 -3.627 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.664 -2.163 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.558 -2.585 1.791 1.00 0.00 H new ATOM 163 N CYS A 12 -8.370 -0.766 1.896 1.00 0.00 N ATOM 164 CA CYS A 12 -8.280 0.549 2.562 1.00 0.00 C ATOM 165 C CYS A 12 -9.185 0.454 3.788 1.00 0.00 C ATOM 166 O CYS A 12 -10.371 0.230 3.658 1.00 0.00 O ATOM 167 CB CYS A 12 -8.804 1.610 1.654 1.00 0.00 C ATOM 168 SG CYS A 12 -8.957 3.217 2.455 1.00 0.00 S ATOM 0 H CYS A 12 -9.177 -0.868 1.281 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.251 0.796 2.825 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.142 1.702 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.780 1.306 1.275 1.00 0.00 H new ATOM 173 N GLY A 13 -8.602 0.636 4.942 1.00 0.00 N ATOM 174 CA GLY A 13 -9.408 0.561 6.196 1.00 0.00 C ATOM 175 C GLY A 13 -10.009 1.925 6.554 1.00 0.00 C ATOM 176 O GLY A 13 -10.028 2.331 7.700 1.00 0.00 O ATOM 0 H GLY A 13 -7.609 0.832 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.207 -0.170 6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.779 0.212 7.015 1.00 0.00 H new ATOM 180 N LYS A 14 -10.477 2.580 5.519 1.00 0.00 N ATOM 181 CA LYS A 14 -11.121 3.939 5.651 1.00 0.00 C ATOM 182 C LYS A 14 -12.473 3.942 4.948 1.00 0.00 C ATOM 183 O LYS A 14 -13.502 4.123 5.571 1.00 0.00 O ATOM 184 CB LYS A 14 -10.263 5.037 5.006 1.00 0.00 C ATOM 185 CG LYS A 14 -9.116 5.478 5.926 1.00 0.00 C ATOM 186 CD LYS A 14 -9.649 6.431 7.024 1.00 0.00 C ATOM 187 CE LYS A 14 -8.720 7.662 7.105 1.00 0.00 C ATOM 188 NZ LYS A 14 -8.694 8.375 5.791 1.00 0.00 N ATOM 0 H LYS A 14 -10.442 2.226 4.563 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.229 4.140 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.854 4.672 4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.890 5.896 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.652 4.605 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.344 5.979 5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.668 6.741 6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.682 5.919 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.066 8.338 7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.712 7.349 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.664 9.402 5.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.851 8.085 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.548 8.135 5.249 1.00 0.00 H new ATOM 202 N CYS A 15 -12.412 3.733 3.657 1.00 0.00 N ATOM 203 CA CYS A 15 -13.648 3.705 2.820 1.00 0.00 C ATOM 204 C CYS A 15 -13.985 2.246 2.462 1.00 0.00 C ATOM 205 O CYS A 15 -15.001 1.976 1.852 1.00 0.00 O ATOM 206 CB CYS A 15 -13.377 4.573 1.569 1.00 0.00 C ATOM 207 SG CYS A 15 -11.934 4.219 0.534 1.00 0.00 S ATOM 0 H CYS A 15 -11.546 3.579 3.141 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.511 4.110 3.349 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -14.259 4.512 0.932 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -13.295 5.608 1.901 1.00 0.00 H new ATOM 212 N LYS A 16 -13.095 1.362 2.856 1.00 0.00 N ATOM 213 CA LYS A 16 -13.210 -0.116 2.636 1.00 0.00 C ATOM 214 C LYS A 16 -13.231 -0.434 1.127 1.00 0.00 C ATOM 215 O LYS A 16 -14.073 -1.190 0.680 1.00 0.00 O ATOM 216 CB LYS A 16 -14.515 -0.614 3.345 1.00 0.00 C ATOM 217 CG LYS A 16 -14.407 -0.626 4.913 1.00 0.00 C ATOM 218 CD LYS A 16 -14.169 -2.056 5.460 1.00 0.00 C ATOM 219 CE LYS A 16 -12.803 -2.636 5.034 1.00 0.00 C ATOM 220 NZ LYS A 16 -12.642 -3.997 5.623 1.00 0.00 N ATOM 0 H LYS A 16 -12.243 1.626 3.351 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.349 -0.633 3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.347 0.026 3.050 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -14.748 -1.620 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.590 0.024 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.322 -0.219 5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.229 -2.039 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.964 -2.713 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.739 -2.687 3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.997 -1.984 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.723 -4.392 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.686 -3.934 6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.405 -4.616 5.281 1.00 0.00 H new ATOM 234 N LYS A 17 -12.311 0.140 0.376 1.00 0.00 N ATOM 235 CA LYS A 17 -12.271 -0.116 -1.089 1.00 0.00 C ATOM 236 C LYS A 17 -10.973 -0.842 -1.459 1.00 0.00 C ATOM 237 O LYS A 17 -10.096 -1.004 -0.631 1.00 0.00 O ATOM 238 CB LYS A 17 -12.393 1.256 -1.785 1.00 0.00 C ATOM 239 CG LYS A 17 -13.675 1.974 -1.226 1.00 0.00 C ATOM 240 CD LYS A 17 -14.523 2.534 -2.383 1.00 0.00 C ATOM 241 CE LYS A 17 -13.801 3.729 -3.017 1.00 0.00 C ATOM 242 NZ LYS A 17 -14.491 4.130 -4.276 1.00 0.00 N ATOM 0 H LYS A 17 -11.591 0.773 0.724 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.087 -0.763 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.505 1.859 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.468 1.130 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.267 1.271 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.384 2.782 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.692 1.760 -3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -15.502 2.841 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.784 4.566 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.764 3.468 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.996 4.940 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.486 3.333 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.473 4.397 -4.064 1.00 0.00 H new ATOM 256 N LYS A 18 -10.932 -1.241 -2.704 1.00 0.00 N ATOM 257 CA LYS A 18 -9.758 -1.983 -3.283 1.00 0.00 C ATOM 258 C LYS A 18 -9.061 -1.279 -4.474 1.00 0.00 C ATOM 259 O LYS A 18 -8.711 -1.914 -5.451 1.00 0.00 O ATOM 260 CB LYS A 18 -10.270 -3.374 -3.713 1.00 0.00 C ATOM 261 CG LYS A 18 -10.760 -4.176 -2.483 1.00 0.00 C ATOM 262 CD LYS A 18 -11.643 -5.335 -2.979 1.00 0.00 C ATOM 263 CE LYS A 18 -11.938 -6.342 -1.849 1.00 0.00 C ATOM 264 NZ LYS A 18 -12.659 -5.684 -0.721 1.00 0.00 N ATOM 0 H LYS A 18 -11.688 -1.080 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.989 -2.037 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.084 -3.263 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.474 -3.921 -4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.911 -4.561 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.324 -3.531 -1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.581 -4.939 -3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.146 -5.846 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.538 -7.165 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.004 -6.772 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.920 -6.399 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.041 -4.971 -0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.519 -5.223 -1.081 1.00 0.00 H new ATOM 278 N ASN A 19 -8.873 0.010 -4.367 1.00 0.00 N ATOM 279 CA ASN A 19 -8.203 0.794 -5.455 1.00 0.00 C ATOM 280 C ASN A 19 -7.160 1.594 -4.695 1.00 0.00 C ATOM 281 O ASN A 19 -7.216 2.790 -4.486 1.00 0.00 O ATOM 282 CB ASN A 19 -9.231 1.675 -6.114 1.00 0.00 C ATOM 283 CG ASN A 19 -8.593 2.469 -7.262 1.00 0.00 C ATOM 284 OD1 ASN A 19 -8.105 1.906 -8.221 1.00 0.00 O ATOM 285 ND2 ASN A 19 -8.573 3.774 -7.208 1.00 0.00 N ATOM 0 H ASN A 19 -9.159 0.564 -3.560 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.756 0.199 -6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.051 1.066 -6.495 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.657 2.360 -5.381 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.151 4.309 -7.966 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.980 4.258 -6.407 1.00 0.00 H new ATOM 292 N CYS A 20 -6.198 0.816 -4.311 1.00 0.00 N ATOM 293 CA CYS A 20 -5.049 1.323 -3.538 1.00 0.00 C ATOM 294 C CYS A 20 -3.790 1.144 -4.352 1.00 0.00 C ATOM 295 O CYS A 20 -3.630 0.187 -5.074 1.00 0.00 O ATOM 296 CB CYS A 20 -5.002 0.525 -2.244 1.00 0.00 C ATOM 297 SG CYS A 20 -6.462 0.719 -1.193 1.00 0.00 S ATOM 0 H CYS A 20 -6.162 -0.184 -4.509 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.141 2.385 -3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.882 -0.531 -2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.120 0.825 -1.678 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.160 0.406 0.032 1.00 0.00 H new ATOM 303 N THR A 21 -2.931 2.099 -4.189 1.00 0.00 N ATOM 304 CA THR A 21 -1.619 2.095 -4.904 1.00 0.00 C ATOM 305 C THR A 21 -0.570 1.635 -3.893 1.00 0.00 C ATOM 306 O THR A 21 -0.714 1.922 -2.723 1.00 0.00 O ATOM 307 CB THR A 21 -1.336 3.529 -5.394 1.00 0.00 C ATOM 308 OG1 THR A 21 -1.833 3.582 -6.720 1.00 0.00 O ATOM 309 CG2 THR A 21 0.151 3.889 -5.501 1.00 0.00 C ATOM 0 H THR A 21 -3.079 2.903 -3.579 1.00 0.00 H new ATOM 0 HA THR A 21 -1.611 1.431 -5.768 1.00 0.00 H new ATOM 0 HB THR A 21 -1.789 4.214 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.383 4.386 -6.831 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.252 4.916 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.620 3.793 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.639 3.214 -6.205 1.00 0.00 H new ATOM 317 N TYR A 22 0.450 0.946 -4.345 1.00 0.00 N ATOM 318 CA TYR A 22 1.486 0.496 -3.365 1.00 0.00 C ATOM 319 C TYR A 22 2.883 0.946 -3.764 1.00 0.00 C ATOM 320 O TYR A 22 3.165 1.226 -4.914 1.00 0.00 O ATOM 321 CB TYR A 22 1.414 -1.072 -3.205 1.00 0.00 C ATOM 322 CG TYR A 22 1.823 -1.989 -4.388 1.00 0.00 C ATOM 323 CD1 TYR A 22 1.682 -1.684 -5.732 1.00 0.00 C ATOM 324 CD2 TYR A 22 2.344 -3.230 -4.062 1.00 0.00 C ATOM 325 CE1 TYR A 22 2.050 -2.597 -6.705 1.00 0.00 C ATOM 326 CE2 TYR A 22 2.708 -4.136 -5.031 1.00 0.00 C ATOM 327 CZ TYR A 22 2.563 -3.825 -6.360 1.00 0.00 C ATOM 328 OH TYR A 22 2.921 -4.727 -7.339 1.00 0.00 O ATOM 0 H TYR A 22 0.608 0.683 -5.318 1.00 0.00 H new ATOM 0 HA TYR A 22 1.274 0.964 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.040 -1.341 -2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.388 -1.324 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.281 -0.724 -6.023 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.468 -3.493 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.933 -2.342 -7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.110 -5.097 -4.745 1.00 0.00 H new ATOM 0 HH TYR A 22 3.266 -5.543 -6.921 1.00 0.00 H new ATOM 338 N THR A 23 3.704 0.990 -2.748 1.00 0.00 N ATOM 339 CA THR A 23 5.129 1.408 -2.879 1.00 0.00 C ATOM 340 C THR A 23 5.961 0.183 -2.521 1.00 0.00 C ATOM 341 O THR A 23 5.712 -0.464 -1.520 1.00 0.00 O ATOM 342 CB THR A 23 5.397 2.566 -1.902 1.00 0.00 C ATOM 343 OG1 THR A 23 4.377 3.513 -2.190 1.00 0.00 O ATOM 344 CG2 THR A 23 6.680 3.328 -2.281 1.00 0.00 C ATOM 0 H THR A 23 3.432 0.743 -1.796 1.00 0.00 H new ATOM 0 HA THR A 23 5.376 1.756 -3.882 1.00 0.00 H new ATOM 0 HB THR A 23 5.452 2.182 -0.883 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.477 4.290 -1.602 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.843 4.140 -1.573 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.530 2.646 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.576 3.738 -3.286 1.00 0.00 H new ATOM 352 N GLN A 24 6.924 -0.061 -3.370 1.00 0.00 N ATOM 353 CA GLN A 24 7.849 -1.224 -3.216 1.00 0.00 C ATOM 354 C GLN A 24 9.316 -0.812 -2.992 1.00 0.00 C ATOM 355 O GLN A 24 10.081 -0.664 -3.924 1.00 0.00 O ATOM 356 CB GLN A 24 7.662 -2.077 -4.500 1.00 0.00 C ATOM 357 CG GLN A 24 6.158 -2.491 -4.664 1.00 0.00 C ATOM 358 CD GLN A 24 5.774 -3.488 -3.565 1.00 0.00 C ATOM 359 OE1 GLN A 24 5.609 -3.137 -2.415 1.00 0.00 O ATOM 360 NE2 GLN A 24 5.621 -4.748 -3.860 1.00 0.00 N ATOM 0 H GLN A 24 7.114 0.516 -4.190 1.00 0.00 H new ATOM 0 HA GLN A 24 7.605 -1.792 -2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.987 -1.510 -5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.288 -2.968 -4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.520 -1.609 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.999 -2.938 -5.645 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.754 -5.067 -4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.368 -5.415 -3.131 1.00 0.00 H new ATOM 369 N VAL A 25 9.649 -0.631 -1.736 1.00 0.00 N ATOM 370 CA VAL A 25 11.028 -0.230 -1.302 1.00 0.00 C ATOM 371 C VAL A 25 11.309 -1.136 -0.090 1.00 0.00 C ATOM 372 O VAL A 25 10.414 -1.831 0.343 1.00 0.00 O ATOM 373 CB VAL A 25 11.003 1.281 -0.934 1.00 0.00 C ATOM 374 CG1 VAL A 25 12.402 1.799 -0.520 1.00 0.00 C ATOM 375 CG2 VAL A 25 10.526 2.092 -2.159 1.00 0.00 C ATOM 0 H VAL A 25 8.995 -0.750 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 25 11.803 -0.349 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 25 10.326 1.405 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.339 2.858 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.754 1.243 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.100 1.661 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.506 3.153 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.210 1.929 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.525 1.767 -2.443 1.00 0.00 H new ATOM 385 N GLN A 26 12.503 -1.119 0.443 1.00 0.00 N ATOM 386 CA GLN A 26 12.838 -1.987 1.612 1.00 0.00 C ATOM 387 C GLN A 26 13.164 -1.276 2.930 1.00 0.00 C ATOM 388 O GLN A 26 13.924 -0.330 2.988 1.00 0.00 O ATOM 389 CB GLN A 26 14.047 -2.892 1.232 1.00 0.00 C ATOM 390 CG GLN A 26 15.333 -2.092 0.949 1.00 0.00 C ATOM 391 CD GLN A 26 16.469 -3.085 0.677 1.00 0.00 C ATOM 392 OE1 GLN A 26 16.652 -4.066 1.519 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 17.195 -2.981 -0.291 1.00 0.00 N flip ATOM 0 H GLN A 26 13.270 -0.533 0.114 1.00 0.00 H new ATOM 0 HA GLN A 26 11.922 -2.543 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.235 -3.597 2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.790 -3.480 0.351 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.190 -1.435 0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.580 -1.457 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.057 -2.217 -0.952 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.943 -3.658 -0.443 1.00 0.00 H new ATOM 402 N THR A 27 12.532 -1.800 3.944 1.00 0.00 N ATOM 403 CA THR A 27 12.671 -1.321 5.350 1.00 0.00 C ATOM 404 C THR A 27 12.909 -2.542 6.250 1.00 0.00 C ATOM 405 O THR A 27 12.884 -3.666 5.786 1.00 0.00 O ATOM 406 CB THR A 27 11.386 -0.583 5.799 1.00 0.00 C ATOM 407 OG1 THR A 27 10.262 -1.279 5.271 1.00 0.00 O ATOM 408 CG2 THR A 27 11.342 0.840 5.231 1.00 0.00 C ATOM 0 H THR A 27 11.889 -2.586 3.847 1.00 0.00 H new ATOM 0 HA THR A 27 13.507 -0.625 5.422 1.00 0.00 H new ATOM 0 HB THR A 27 11.374 -0.544 6.888 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.752 -0.681 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.429 1.336 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.208 1.400 5.585 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.358 0.798 4.142 1.00 0.00 H new ATOM 416 N ARG A 28 13.137 -2.250 7.508 1.00 0.00 N ATOM 417 CA ARG A 28 13.392 -3.268 8.586 1.00 0.00 C ATOM 418 C ARG A 28 14.832 -3.794 8.533 1.00 0.00 C ATOM 419 O ARG A 28 15.621 -3.572 9.431 1.00 0.00 O ATOM 420 CB ARG A 28 12.367 -4.450 8.434 1.00 0.00 C ATOM 421 CG ARG A 28 12.382 -5.375 9.664 1.00 0.00 C ATOM 422 CD ARG A 28 11.176 -6.348 9.521 1.00 0.00 C ATOM 423 NE ARG A 28 11.045 -7.281 10.689 1.00 0.00 N ATOM 424 CZ ARG A 28 11.849 -7.237 11.718 1.00 0.00 C ATOM 425 NH1 ARG A 28 13.029 -7.780 11.612 1.00 0.00 N ATOM 426 NH2 ARG A 28 11.436 -6.648 12.804 1.00 0.00 N ATOM 0 H ARG A 28 13.158 -1.290 7.852 1.00 0.00 H new ATOM 0 HA ARG A 28 13.258 -2.789 9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.364 -4.047 8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.606 -5.027 7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.319 -5.929 9.718 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.302 -4.795 10.583 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.258 -5.770 9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.290 -6.930 8.607 1.00 0.00 H new ATOM 0 HE ARG A 28 10.299 -7.977 10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.308 -8.227 10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.674 -7.758 12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.504 -6.235 12.837 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.045 -6.600 13.621 1.00 0.00 H new ATOM 440 N SER A 29 15.103 -4.480 7.457 1.00 0.00 N ATOM 441 CA SER A 29 16.432 -5.091 7.175 1.00 0.00 C ATOM 442 C SER A 29 16.968 -4.441 5.895 1.00 0.00 C ATOM 443 O SER A 29 16.258 -3.763 5.176 1.00 0.00 O ATOM 444 CB SER A 29 16.234 -6.633 7.002 1.00 0.00 C ATOM 445 OG SER A 29 17.474 -7.195 6.571 1.00 0.00 O ATOM 0 H SER A 29 14.416 -4.650 6.722 1.00 0.00 H new ATOM 0 HA SER A 29 17.146 -4.929 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.919 -7.084 7.943 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.450 -6.836 6.272 1.00 0.00 H new ATOM 0 HG SER A 29 17.373 -8.163 6.458 1.00 0.00 H new ATOM 451 N ALA A 30 18.226 -4.699 5.675 1.00 0.00 N ATOM 452 CA ALA A 30 18.954 -4.162 4.482 1.00 0.00 C ATOM 453 C ALA A 30 19.237 -5.242 3.433 1.00 0.00 C ATOM 454 O ALA A 30 19.718 -4.940 2.356 1.00 0.00 O ATOM 455 CB ALA A 30 20.261 -3.544 4.960 1.00 0.00 C ATOM 0 H ALA A 30 18.800 -5.277 6.289 1.00 0.00 H new ATOM 0 HA ALA A 30 18.323 -3.416 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 30 20.809 -3.146 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 30 20.047 -2.738 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 30 20.864 -4.305 5.455 1.00 0.00 H new ATOM 461 N ASP A 31 18.929 -6.468 3.766 1.00 0.00 N ATOM 462 CA ASP A 31 19.165 -7.593 2.809 1.00 0.00 C ATOM 463 C ASP A 31 17.857 -7.618 2.027 1.00 0.00 C ATOM 464 O ASP A 31 17.839 -7.662 0.814 1.00 0.00 O ATOM 465 CB ASP A 31 19.358 -8.903 3.586 1.00 0.00 C ATOM 466 CG ASP A 31 20.446 -8.683 4.648 1.00 0.00 C ATOM 467 OD1 ASP A 31 21.582 -8.487 4.244 1.00 0.00 O ATOM 468 OD2 ASP A 31 20.070 -8.717 5.809 1.00 0.00 O ATOM 0 H ASP A 31 18.523 -6.741 4.661 1.00 0.00 H new ATOM 0 HA ASP A 31 20.048 -7.476 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.423 -9.205 4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.647 -9.706 2.908 1.00 0.00 H new ATOM 473 N GLU A 32 16.825 -7.580 2.833 1.00 0.00 N ATOM 474 CA GLU A 32 15.392 -7.582 2.414 1.00 0.00 C ATOM 475 C GLU A 32 15.104 -7.299 0.916 1.00 0.00 C ATOM 476 O GLU A 32 15.180 -6.163 0.490 1.00 0.00 O ATOM 477 CB GLU A 32 14.708 -6.547 3.335 1.00 0.00 C ATOM 478 CG GLU A 32 13.185 -6.405 3.129 1.00 0.00 C ATOM 479 CD GLU A 32 12.465 -7.729 3.430 1.00 0.00 C ATOM 480 OE1 GLU A 32 12.478 -8.571 2.546 1.00 0.00 O ATOM 481 OE2 GLU A 32 11.950 -7.834 4.532 1.00 0.00 O ATOM 0 H GLU A 32 16.935 -7.545 3.846 1.00 0.00 H new ATOM 0 HA GLU A 32 14.999 -8.593 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.896 -6.824 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.174 -5.575 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.798 -5.620 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.980 -6.100 2.103 1.00 0.00 H new ATOM 488 N PRO A 33 14.792 -8.329 0.158 1.00 0.00 N ATOM 489 CA PRO A 33 13.782 -8.266 -0.946 1.00 0.00 C ATOM 490 C PRO A 33 12.503 -7.515 -0.494 1.00 0.00 C ATOM 491 O PRO A 33 11.484 -8.108 -0.210 1.00 0.00 O ATOM 492 CB PRO A 33 13.595 -9.746 -1.304 1.00 0.00 C ATOM 493 CG PRO A 33 15.026 -10.294 -1.092 1.00 0.00 C ATOM 494 CD PRO A 33 15.401 -9.687 0.272 1.00 0.00 C ATOM 0 HA PRO A 33 14.082 -7.691 -1.822 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.867 -10.236 -0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.251 -9.880 -2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.047 -11.384 -1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 33 15.706 -9.975 -1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.987 -10.256 1.104 1.00 0.00 H new ATOM 0 HD3 PRO A 33 16.480 -9.644 0.421 1.00 0.00 H new ATOM 502 N MET A 34 12.671 -6.215 -0.469 1.00 0.00 N ATOM 503 CA MET A 34 11.678 -5.160 -0.079 1.00 0.00 C ATOM 504 C MET A 34 10.522 -5.481 0.890 1.00 0.00 C ATOM 505 O MET A 34 10.331 -6.573 1.390 1.00 0.00 O ATOM 506 CB MET A 34 11.085 -4.536 -1.394 1.00 0.00 C ATOM 507 CG MET A 34 9.954 -5.346 -2.029 1.00 0.00 C ATOM 508 SD MET A 34 10.408 -6.694 -3.147 1.00 0.00 S ATOM 509 CE MET A 34 10.501 -5.744 -4.688 1.00 0.00 C ATOM 0 H MET A 34 13.565 -5.802 -0.736 1.00 0.00 H new ATOM 0 HA MET A 34 12.284 -4.490 0.531 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.716 -3.535 -1.171 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.888 -4.425 -2.122 1.00 0.00 H new ATOM 0 HG2 MET A 34 9.351 -5.767 -1.225 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.315 -4.655 -2.579 1.00 0.00 H new ATOM 0 HE1 MET A 34 10.772 -6.408 -5.509 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.532 -5.289 -4.894 1.00 0.00 H new ATOM 0 HE3 MET A 34 11.255 -4.963 -4.589 1.00 0.00 H new ATOM 519 N THR A 35 9.787 -4.425 1.110 1.00 0.00 N ATOM 520 CA THR A 35 8.602 -4.409 2.005 1.00 0.00 C ATOM 521 C THR A 35 7.468 -3.802 1.171 1.00 0.00 C ATOM 522 O THR A 35 7.721 -3.199 0.142 1.00 0.00 O ATOM 523 CB THR A 35 8.914 -3.522 3.216 1.00 0.00 C ATOM 524 OG1 THR A 35 10.147 -3.979 3.762 1.00 0.00 O ATOM 525 CG2 THR A 35 7.886 -3.708 4.342 1.00 0.00 C ATOM 0 H THR A 35 9.977 -3.521 0.676 1.00 0.00 H new ATOM 0 HA THR A 35 8.333 -5.400 2.372 1.00 0.00 H new ATOM 0 HB THR A 35 8.921 -2.484 2.884 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.295 -3.556 4.634 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.144 -3.061 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.893 -3.447 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.890 -4.747 4.670 1.00 0.00 H new ATOM 533 N THR A 36 6.257 -3.966 1.637 1.00 0.00 N ATOM 534 CA THR A 36 5.096 -3.411 0.894 1.00 0.00 C ATOM 535 C THR A 36 4.311 -2.424 1.755 1.00 0.00 C ATOM 536 O THR A 36 3.698 -2.796 2.735 1.00 0.00 O ATOM 537 CB THR A 36 4.213 -4.606 0.445 1.00 0.00 C ATOM 538 OG1 THR A 36 5.012 -5.347 -0.470 1.00 0.00 O ATOM 539 CG2 THR A 36 3.020 -4.130 -0.391 1.00 0.00 C ATOM 0 H THR A 36 6.026 -4.460 2.499 1.00 0.00 H new ATOM 0 HA THR A 36 5.435 -2.852 0.022 1.00 0.00 H new ATOM 0 HB THR A 36 3.869 -5.153 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.304 -4.760 -1.199 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.420 -4.989 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.409 -3.450 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.382 -3.612 -1.279 1.00 0.00 H new ATOM 547 N PHE A 37 4.374 -1.181 1.356 1.00 0.00 N ATOM 548 CA PHE A 37 3.674 -0.086 2.052 1.00 0.00 C ATOM 549 C PHE A 37 2.541 0.146 1.043 1.00 0.00 C ATOM 550 O PHE A 37 2.799 0.158 -0.145 1.00 0.00 O ATOM 551 CB PHE A 37 4.529 1.144 2.087 1.00 0.00 C ATOM 552 CG PHE A 37 6.004 0.876 2.398 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.382 0.048 3.433 1.00 0.00 C ATOM 554 CD2 PHE A 37 6.973 1.496 1.638 1.00 0.00 C ATOM 555 CE1 PHE A 37 7.717 -0.157 3.708 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.301 1.296 1.913 1.00 0.00 C ATOM 557 CZ PHE A 37 8.680 0.472 2.944 1.00 0.00 C ATOM 0 H PHE A 37 4.907 -0.879 0.541 1.00 0.00 H new ATOM 0 HA PHE A 37 3.388 -0.299 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.459 1.649 1.124 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.130 1.829 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.629 -0.443 4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.684 2.142 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.009 -0.808 4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.053 1.789 1.315 1.00 0.00 H new ATOM 0 HZ PHE A 37 9.727 0.316 3.157 1.00 0.00 H new ATOM 567 N VAL A 38 1.337 0.333 1.494 1.00 0.00 N ATOM 568 CA VAL A 38 0.214 0.552 0.538 1.00 0.00 C ATOM 569 C VAL A 38 -0.591 1.732 1.016 1.00 0.00 C ATOM 570 O VAL A 38 -0.826 1.879 2.196 1.00 0.00 O ATOM 571 CB VAL A 38 -0.646 -0.730 0.494 1.00 0.00 C ATOM 572 CG1 VAL A 38 -1.592 -0.695 -0.694 1.00 0.00 C ATOM 573 CG2 VAL A 38 0.251 -1.944 0.492 1.00 0.00 C ATOM 0 H VAL A 38 1.078 0.344 2.481 1.00 0.00 H new ATOM 0 HA VAL A 38 0.579 0.761 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.270 -0.788 1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.190 -1.606 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.250 0.170 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.015 -0.624 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.359 -2.847 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.901 -1.915 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.860 -1.948 1.396 1.00 0.00 H new ATOM 583 N VAL A 39 -0.988 2.527 0.068 1.00 0.00 N ATOM 584 CA VAL A 39 -1.790 3.740 0.352 1.00 0.00 C ATOM 585 C VAL A 39 -2.985 3.744 -0.596 1.00 0.00 C ATOM 586 O VAL A 39 -2.890 3.338 -1.735 1.00 0.00 O ATOM 587 CB VAL A 39 -0.872 4.990 0.141 1.00 0.00 C ATOM 588 CG1 VAL A 39 -0.275 5.015 -1.282 1.00 0.00 C ATOM 589 CG2 VAL A 39 -1.661 6.294 0.360 1.00 0.00 C ATOM 0 H VAL A 39 -0.783 2.380 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.162 3.759 1.376 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.066 4.917 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.357 5.895 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.321 4.117 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.082 5.050 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.001 7.148 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.487 6.343 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.054 6.315 1.377 1.00 0.00 H new ATOM 599 N CYS A 40 -4.081 4.216 -0.082 1.00 0.00 N ATOM 600 CA CYS A 40 -5.325 4.280 -0.897 1.00 0.00 C ATOM 601 C CYS A 40 -5.331 5.597 -1.666 1.00 0.00 C ATOM 602 O CYS A 40 -4.903 6.625 -1.183 1.00 0.00 O ATOM 603 CB CYS A 40 -6.547 4.176 0.043 1.00 0.00 C ATOM 604 SG CYS A 40 -8.114 4.809 -0.608 1.00 0.00 S ATOM 0 H CYS A 40 -4.172 4.563 0.873 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.370 3.456 -1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.685 3.128 0.310 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.317 4.712 0.964 1.00 0.00 H new ATOM 610 N ASN A 41 -5.822 5.502 -2.872 1.00 0.00 N ATOM 611 CA ASN A 41 -5.924 6.658 -3.793 1.00 0.00 C ATOM 612 C ASN A 41 -7.328 7.253 -3.734 1.00 0.00 C ATOM 613 O ASN A 41 -7.548 8.368 -4.165 1.00 0.00 O ATOM 614 CB ASN A 41 -5.690 6.174 -5.181 1.00 0.00 C ATOM 615 CG ASN A 41 -4.377 5.428 -5.308 1.00 0.00 C ATOM 616 OD1 ASN A 41 -3.306 6.000 -5.340 1.00 0.00 O ATOM 617 ND2 ASN A 41 -4.443 4.129 -5.380 1.00 0.00 N ATOM 0 H ASN A 41 -6.170 4.629 -3.268 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.192 7.413 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.509 5.520 -5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.693 7.022 -5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.588 3.579 -5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.349 3.662 -5.352 1.00 0.00 H new ATOM 624 N GLU A 42 -8.237 6.483 -3.193 1.00 0.00 N ATOM 625 CA GLU A 42 -9.645 6.929 -3.090 1.00 0.00 C ATOM 626 C GLU A 42 -10.039 7.874 -1.976 1.00 0.00 C ATOM 627 O GLU A 42 -10.735 8.835 -2.241 1.00 0.00 O ATOM 628 CB GLU A 42 -10.441 5.616 -3.082 1.00 0.00 C ATOM 629 CG GLU A 42 -10.070 4.839 -4.393 1.00 0.00 C ATOM 630 CD GLU A 42 -11.328 4.592 -5.249 1.00 0.00 C ATOM 631 OE1 GLU A 42 -11.855 5.585 -5.720 1.00 0.00 O ATOM 632 OE2 GLU A 42 -11.702 3.441 -5.394 1.00 0.00 O ATOM 0 H GLU A 42 -8.054 5.553 -2.815 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.860 7.592 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.195 5.023 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.512 5.816 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.339 5.409 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.603 3.887 -4.139 1.00 0.00 H new ATOM 639 N CYS A 43 -9.619 7.613 -0.779 1.00 0.00 N ATOM 640 CA CYS A 43 -9.973 8.522 0.344 1.00 0.00 C ATOM 641 C CYS A 43 -8.637 8.905 0.958 1.00 0.00 C ATOM 642 O CYS A 43 -8.545 9.882 1.678 1.00 0.00 O ATOM 643 CB CYS A 43 -10.814 7.807 1.381 1.00 0.00 C ATOM 644 SG CYS A 43 -9.937 6.661 2.468 1.00 0.00 S ATOM 0 H CYS A 43 -9.045 6.809 -0.524 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.552 9.379 -0.000 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -11.306 8.558 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.599 7.256 0.864 1.00 0.00 H new ATOM 650 N GLY A 44 -7.639 8.107 0.646 1.00 0.00 N ATOM 651 CA GLY A 44 -6.287 8.403 1.206 1.00 0.00 C ATOM 652 C GLY A 44 -6.009 7.771 2.584 1.00 0.00 C ATOM 653 O GLY A 44 -6.044 8.455 3.589 1.00 0.00 O ATOM 0 H GLY A 44 -7.702 7.286 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.532 8.053 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.171 9.484 1.287 1.00 0.00 H new ATOM 657 N ASN A 45 -5.752 6.490 2.604 1.00 0.00 N ATOM 658 CA ASN A 45 -5.454 5.735 3.850 1.00 0.00 C ATOM 659 C ASN A 45 -4.033 5.209 3.611 1.00 0.00 C ATOM 660 O ASN A 45 -3.608 5.160 2.482 1.00 0.00 O ATOM 661 CB ASN A 45 -6.447 4.602 3.946 1.00 0.00 C ATOM 662 CG ASN A 45 -6.445 3.911 5.280 1.00 0.00 C ATOM 663 OD1 ASN A 45 -5.742 4.241 6.213 1.00 0.00 O ATOM 664 ND2 ASN A 45 -7.269 2.919 5.372 1.00 0.00 N ATOM 0 H ASN A 45 -5.737 5.912 1.763 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.521 6.315 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.447 4.989 3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.228 3.871 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.339 2.394 6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.849 2.662 4.573 1.00 0.00 H new ATOM 671 N ARG A 46 -3.319 4.828 4.627 1.00 0.00 N ATOM 672 CA ARG A 46 -1.925 4.304 4.411 1.00 0.00 C ATOM 673 C ARG A 46 -1.562 3.246 5.469 1.00 0.00 C ATOM 674 O ARG A 46 -1.686 3.504 6.649 1.00 0.00 O ATOM 675 CB ARG A 46 -0.947 5.519 4.444 1.00 0.00 C ATOM 676 CG ARG A 46 -1.064 6.322 5.774 1.00 0.00 C ATOM 677 CD ARG A 46 -0.139 7.546 5.720 1.00 0.00 C ATOM 678 NE ARG A 46 -0.300 8.298 7.009 1.00 0.00 N ATOM 679 CZ ARG A 46 0.713 8.483 7.818 1.00 0.00 C ATOM 680 NH1 ARG A 46 1.503 7.490 8.123 1.00 0.00 N ATOM 681 NH2 ARG A 46 0.907 9.674 8.310 1.00 0.00 N ATOM 0 H ARG A 46 -3.629 4.852 5.599 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.853 3.805 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.077 5.165 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.158 6.178 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.095 6.639 5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.795 5.687 6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.897 7.236 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.395 8.181 4.872 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.215 8.672 7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.333 6.564 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.291 7.640 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.277 10.437 8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.689 9.843 8.942 1.00 0.00 H new ATOM 695 N TRP A 47 -1.132 2.084 5.032 1.00 0.00 N ATOM 696 CA TRP A 47 -0.765 1.002 5.991 1.00 0.00 C ATOM 697 C TRP A 47 0.360 0.165 5.378 1.00 0.00 C ATOM 698 O TRP A 47 0.688 0.342 4.226 1.00 0.00 O ATOM 699 CB TRP A 47 -2.048 0.204 6.245 1.00 0.00 C ATOM 700 CG TRP A 47 -2.514 -0.446 4.941 1.00 0.00 C ATOM 701 CD1 TRP A 47 -2.243 -1.734 4.643 1.00 0.00 C ATOM 702 CD2 TRP A 47 -3.216 0.123 3.932 1.00 0.00 C ATOM 703 NE1 TRP A 47 -2.801 -1.887 3.460 1.00 0.00 N ATOM 704 CE2 TRP A 47 -3.412 -0.825 2.946 1.00 0.00 C ATOM 705 CE3 TRP A 47 -3.717 1.404 3.747 1.00 0.00 C ATOM 706 CZ2 TRP A 47 -4.093 -0.477 1.795 1.00 0.00 C ATOM 707 CZ3 TRP A 47 -4.396 1.735 2.601 1.00 0.00 C ATOM 708 CH2 TRP A 47 -4.583 0.792 1.628 1.00 0.00 C ATOM 0 H TRP A 47 -1.021 1.842 4.047 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.387 1.374 6.943 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.869 -0.561 7.001 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.826 0.861 6.634 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -1.702 -2.461 5.230 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.766 -2.777 2.963 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.571 2.150 4.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.241 -1.213 1.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.781 2.735 2.468 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.118 1.048 0.726 1.00 0.00 H new ATOM 719 N LYS A 48 0.920 -0.722 6.152 1.00 0.00 N ATOM 720 CA LYS A 48 2.032 -1.594 5.642 1.00 0.00 C ATOM 721 C LYS A 48 1.720 -3.069 5.858 1.00 0.00 C ATOM 722 O LYS A 48 0.864 -3.466 6.623 1.00 0.00 O ATOM 723 CB LYS A 48 3.313 -1.190 6.374 1.00 0.00 C ATOM 724 CG LYS A 48 4.585 -2.070 6.178 1.00 0.00 C ATOM 725 CD LYS A 48 5.614 -1.750 7.311 1.00 0.00 C ATOM 726 CE LYS A 48 6.106 -0.281 7.273 1.00 0.00 C ATOM 727 NZ LYS A 48 7.033 -0.023 8.415 1.00 0.00 N ATOM 0 H LYS A 48 0.658 -0.887 7.124 1.00 0.00 H new ATOM 0 HA LYS A 48 2.152 -1.455 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.562 -0.173 6.071 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.091 -1.160 7.441 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.318 -3.126 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.029 -1.875 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.156 -1.951 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.470 -2.418 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.615 -0.083 6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.255 0.398 7.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.358 0.964 8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.535 -0.194 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.852 -0.660 8.348 1.00 0.00 H new ATOM 741 N PHE A 49 2.493 -3.802 5.118 1.00 0.00 N ATOM 742 CA PHE A 49 2.454 -5.295 5.080 1.00 0.00 C ATOM 743 C PHE A 49 3.863 -5.799 4.677 1.00 0.00 C ATOM 744 O PHE A 49 4.827 -5.057 4.749 1.00 0.00 O ATOM 745 CB PHE A 49 1.367 -5.675 4.049 1.00 0.00 C ATOM 746 CG PHE A 49 1.063 -7.188 4.024 1.00 0.00 C ATOM 747 CD1 PHE A 49 0.452 -7.810 5.100 1.00 0.00 C ATOM 748 CD2 PHE A 49 1.400 -7.946 2.913 1.00 0.00 C ATOM 749 CE1 PHE A 49 0.183 -9.167 5.063 1.00 0.00 C ATOM 750 CE2 PHE A 49 1.130 -9.297 2.879 1.00 0.00 C ATOM 751 CZ PHE A 49 0.524 -9.906 3.955 1.00 0.00 C ATOM 0 H PHE A 49 3.197 -3.404 4.497 1.00 0.00 H new ATOM 0 HA PHE A 49 2.207 -5.751 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.451 -5.130 4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.688 -5.358 3.057 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.184 -7.233 5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.878 -7.474 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.295 -9.646 5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.394 -9.878 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.316 -10.966 3.929 1.00 0.00 H new ATOM 761 N CYS A 50 3.947 -7.041 4.263 1.00 0.00 N ATOM 762 CA CYS A 50 5.251 -7.644 3.841 1.00 0.00 C ATOM 763 C CYS A 50 5.410 -7.478 2.326 1.00 0.00 C ATOM 764 O CYS A 50 6.251 -6.747 1.841 1.00 0.00 O ATOM 765 CB CYS A 50 5.262 -9.134 4.181 1.00 0.00 C ATOM 766 SG CYS A 50 6.659 -10.116 3.580 1.00 0.00 S ATOM 0 H CYS A 50 3.150 -7.674 4.199 1.00 0.00 H new ATOM 0 HA CYS A 50 6.068 -7.145 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.223 -9.232 5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.346 -9.576 3.788 1.00 0.00 H new ATOM 0 HG CYS A 50 6.514 -11.352 3.956 1.00 0.00 H new TER 772 CYS A 50 HETATM 773 ZN ZN A 51 -9.763 4.782 0.988 1.00 0.00 ZN