USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 29 ASN : amide:sc= -2.51! C(o=-2.5!,f=-2.6!) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.0167 K(o=-2.5,f=-3.9) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0407 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 80:sc= 0.711 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 77:sc= 0.483 USER MOD Single : A 18 GLN : amide:sc= -0.391 K(o=-0.39,f=-3.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -73:sc= 0.586 USER MOD Single : A 36 SER OG : rot 75:sc= 0.478 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -64:sc= 1.26 USER MOD Single : A 61 TYR OH : rot 180:sc= 0.0139 USER MOD Single : A 64 THR OG1 : rot 50:sc= -0.773 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.150 16.256 -7.221 1.00 25.00 N ATOM 2 CA ALA A 1 7.462 14.934 -7.323 1.00 25.00 C ATOM 3 C ALA A 1 7.466 14.240 -5.972 1.00 25.00 C ATOM 4 O ALA A 1 8.420 14.376 -5.220 1.00 25.00 O ATOM 5 CB ALA A 1 8.154 14.044 -8.386 1.00 25.00 C ATOM 0 H1 ALA A 1 8.795 16.375 -8.028 1.00 25.00 H new ATOM 0 H2 ALA A 1 7.442 17.018 -7.229 1.00 25.00 H new ATOM 0 H3 ALA A 1 8.693 16.298 -6.335 1.00 25.00 H new ATOM 0 HA ALA A 1 6.430 15.100 -7.631 1.00 25.00 H new ATOM 0 HB1 ALA A 1 7.640 13.085 -8.448 1.00 25.00 H new ATOM 0 HB2 ALA A 1 8.115 14.539 -9.356 1.00 25.00 H new ATOM 0 HB3 ALA A 1 9.194 13.881 -8.103 1.00 25.00 H new ATOM 13 N TYR A 2 6.389 13.534 -5.659 1.00 25.00 N ATOM 14 CA TYR A 2 6.249 12.847 -4.376 1.00 25.00 C ATOM 15 C TYR A 2 7.025 11.523 -4.366 1.00 25.00 C ATOM 16 O TYR A 2 7.280 10.942 -5.420 1.00 25.00 O ATOM 17 CB TYR A 2 4.759 12.580 -4.129 1.00 25.00 C ATOM 18 CG TYR A 2 4.449 12.051 -2.747 1.00 25.00 C ATOM 19 CD1 TYR A 2 4.620 12.865 -1.606 1.00 25.00 C ATOM 20 CD2 TYR A 2 3.983 10.731 -2.567 1.00 25.00 C ATOM 21 CE1 TYR A 2 4.339 12.363 -0.306 1.00 25.00 C ATOM 22 CE2 TYR A 2 3.691 10.233 -1.269 1.00 25.00 C ATOM 23 CZ TYR A 2 3.879 11.052 -0.153 1.00 25.00 C ATOM 24 OH TYR A 2 3.605 10.556 1.094 1.00 25.00 O ATOM 0 H TYR A 2 5.589 13.419 -6.282 1.00 25.00 H new ATOM 0 HA TYR A 2 6.660 13.477 -3.587 1.00 25.00 H new ATOM 0 HB2 TYR A 2 4.204 13.505 -4.286 1.00 25.00 H new ATOM 0 HB3 TYR A 2 4.401 11.864 -4.869 1.00 25.00 H new ATOM 0 HD1 TYR A 2 4.968 13.881 -1.722 1.00 25.00 H new ATOM 0 HD2 TYR A 2 3.847 10.092 -3.427 1.00 25.00 H new ATOM 0 HE1 TYR A 2 4.480 12.992 0.560 1.00 25.00 H new ATOM 0 HE2 TYR A 2 3.325 9.225 -1.145 1.00 25.00 H new ATOM 0 HH TYR A 2 3.294 9.630 1.017 1.00 25.00 H new ATOM 34 N ARG A 3 7.352 11.035 -3.174 1.00 25.00 N ATOM 35 CA ARG A 3 7.953 9.712 -2.981 1.00 25.00 C ATOM 36 C ARG A 3 7.194 9.114 -1.806 1.00 25.00 C ATOM 37 O ARG A 3 6.828 9.853 -0.901 1.00 25.00 O ATOM 38 CB ARG A 3 9.438 9.813 -2.614 1.00 25.00 C ATOM 39 CG ARG A 3 10.360 10.064 -3.787 1.00 25.00 C ATOM 40 CD ARG A 3 11.818 9.981 -3.333 1.00 25.00 C ATOM 41 NE ARG A 3 12.767 10.125 -4.454 1.00 25.00 N ATOM 42 CZ ARG A 3 13.358 11.257 -4.827 1.00 25.00 C ATOM 43 NH1 ARG A 3 13.138 12.400 -4.225 1.00 25.00 N ATOM 44 NH2 ARG A 3 14.193 11.232 -5.829 1.00 25.00 N ATOM 0 H ARG A 3 7.208 11.548 -2.304 1.00 25.00 H new ATOM 0 HA ARG A 3 7.891 9.117 -3.892 1.00 25.00 H new ATOM 0 HB2 ARG A 3 9.566 10.617 -1.889 1.00 25.00 H new ATOM 0 HB3 ARG A 3 9.741 8.889 -2.122 1.00 25.00 H new ATOM 0 HG2 ARG A 3 10.172 9.331 -4.571 1.00 25.00 H new ATOM 0 HG3 ARG A 3 10.159 11.046 -4.215 1.00 25.00 H new ATOM 0 HD2 ARG A 3 12.011 10.760 -2.596 1.00 25.00 H new ATOM 0 HD3 ARG A 3 11.987 9.025 -2.838 1.00 25.00 H new ATOM 0 HE ARG A 3 12.989 9.285 -4.988 1.00 25.00 H new ATOM 0 HH11 ARG A 3 12.492 12.445 -3.437 1.00 25.00 H new ATOM 0 HH12 ARG A 3 13.613 13.244 -4.544 1.00 25.00 H new ATOM 0 HH21 ARG A 3 14.383 10.354 -6.312 1.00 25.00 H new ATOM 0 HH22 ARG A 3 14.655 12.090 -6.129 1.00 25.00 H new ATOM 58 N PRO A 4 6.983 7.781 -1.785 1.00 25.00 N ATOM 59 CA PRO A 4 6.244 7.200 -0.652 1.00 25.00 C ATOM 60 C PRO A 4 6.984 7.315 0.681 1.00 25.00 C ATOM 61 O PRO A 4 6.360 7.364 1.724 1.00 25.00 O ATOM 62 CB PRO A 4 6.065 5.737 -1.072 1.00 25.00 C ATOM 63 CG PRO A 4 7.220 5.466 -1.968 1.00 25.00 C ATOM 64 CD PRO A 4 7.371 6.742 -2.758 1.00 25.00 C ATOM 0 HA PRO A 4 5.306 7.723 -0.467 1.00 25.00 H new ATOM 0 HB2 PRO A 4 6.068 5.072 -0.208 1.00 25.00 H new ATOM 0 HB3 PRO A 4 5.117 5.585 -1.588 1.00 25.00 H new ATOM 0 HG2 PRO A 4 8.122 5.238 -1.400 1.00 25.00 H new ATOM 0 HG3 PRO A 4 7.029 4.613 -2.619 1.00 25.00 H new ATOM 0 HD2 PRO A 4 8.393 6.880 -3.110 1.00 25.00 H new ATOM 0 HD3 PRO A 4 6.727 6.751 -3.637 1.00 25.00 H new ATOM 72 N SER A 5 8.308 7.424 0.616 1.00 25.00 N ATOM 73 CA SER A 5 9.142 7.739 1.780 1.00 25.00 C ATOM 74 C SER A 5 8.846 6.945 3.064 1.00 25.00 C ATOM 75 O SER A 5 8.598 7.529 4.108 1.00 25.00 O ATOM 76 CB SER A 5 9.006 9.234 2.071 1.00 25.00 C ATOM 77 OG SER A 5 9.123 9.972 0.861 1.00 25.00 O ATOM 0 H SER A 5 8.838 7.297 -0.246 1.00 25.00 H new ATOM 0 HA SER A 5 10.155 7.445 1.505 1.00 25.00 H new ATOM 0 HB2 SER A 5 8.043 9.437 2.540 1.00 25.00 H new ATOM 0 HB3 SER A 5 9.776 9.548 2.776 1.00 25.00 H new ATOM 0 HG SER A 5 8.270 9.948 0.379 1.00 25.00 H new ATOM 83 N GLU A 6 8.930 5.622 2.991 1.00 25.00 N ATOM 84 CA GLU A 6 8.719 4.749 4.163 1.00 25.00 C ATOM 85 C GLU A 6 9.937 4.731 5.101 1.00 25.00 C ATOM 86 O GLU A 6 10.195 3.748 5.785 1.00 25.00 O ATOM 87 CB GLU A 6 8.424 3.319 3.694 1.00 25.00 C ATOM 88 CG GLU A 6 7.087 3.171 3.002 1.00 25.00 C ATOM 89 CD GLU A 6 6.968 1.866 2.270 1.00 25.00 C ATOM 90 OE1 GLU A 6 7.607 1.613 1.273 1.00 25.00 O ATOM 91 OE2 GLU A 6 6.133 1.028 2.802 1.00 25.00 O ATOM 0 H GLU A 6 9.144 5.118 2.131 1.00 25.00 H new ATOM 0 HA GLU A 6 7.873 5.151 4.720 1.00 25.00 H new ATOM 0 HB2 GLU A 6 9.213 2.999 3.013 1.00 25.00 H new ATOM 0 HB3 GLU A 6 8.454 2.650 4.554 1.00 25.00 H new ATOM 0 HG2 GLU A 6 6.288 3.246 3.740 1.00 25.00 H new ATOM 0 HG3 GLU A 6 6.951 3.993 2.300 1.00 25.00 H new ATOM 98 N THR A 7 10.697 5.811 5.111 1.00 25.00 N ATOM 99 CA THR A 7 11.861 5.938 5.976 1.00 25.00 C ATOM 100 C THR A 7 11.818 7.285 6.669 1.00 25.00 C ATOM 101 O THR A 7 11.468 8.301 6.070 1.00 25.00 O ATOM 102 CB THR A 7 13.185 5.826 5.200 1.00 25.00 C ATOM 103 OG1 THR A 7 13.110 6.602 3.999 1.00 25.00 O ATOM 104 CG2 THR A 7 13.473 4.388 4.818 1.00 25.00 C ATOM 0 H THR A 7 10.527 6.625 4.521 1.00 25.00 H new ATOM 0 HA THR A 7 11.825 5.120 6.696 1.00 25.00 H new ATOM 0 HB THR A 7 13.982 6.194 5.846 1.00 25.00 H new ATOM 0 HG1 THR A 7 13.956 6.529 3.509 1.00 25.00 H new ATOM 0 HG21 THR A 7 14.414 4.338 4.271 1.00 25.00 H new ATOM 0 HG22 THR A 7 13.545 3.779 5.719 1.00 25.00 H new ATOM 0 HG23 THR A 7 12.667 4.010 4.189 1.00 25.00 H new ATOM 112 N LEU A 8 12.150 7.276 7.948 1.00 25.00 N ATOM 113 CA LEU A 8 12.097 8.462 8.789 1.00 25.00 C ATOM 114 C LEU A 8 13.296 8.523 9.680 1.00 25.00 C ATOM 115 O LEU A 8 13.805 7.508 10.125 1.00 25.00 O ATOM 116 CB LEU A 8 10.906 8.399 9.717 1.00 25.00 C ATOM 117 CG LEU A 8 9.527 8.379 9.101 1.00 25.00 C ATOM 118 CD1 LEU A 8 8.456 8.169 10.100 1.00 25.00 C ATOM 119 CD2 LEU A 8 9.263 9.679 8.331 1.00 25.00 C ATOM 0 H LEU A 8 12.467 6.439 8.437 1.00 25.00 H new ATOM 0 HA LEU A 8 12.044 9.323 8.122 1.00 25.00 H new ATOM 0 HB2 LEU A 8 11.010 7.506 10.333 1.00 25.00 H new ATOM 0 HB3 LEU A 8 10.960 9.257 10.388 1.00 25.00 H new ATOM 0 HG LEU A 8 9.507 7.531 8.416 1.00 25.00 H new ATOM 0 HD11 LEU A 8 7.488 8.164 9.600 1.00 25.00 H new ATOM 0 HD12 LEU A 8 8.610 7.214 10.603 1.00 25.00 H new ATOM 0 HD13 LEU A 8 8.481 8.974 10.834 1.00 25.00 H new ATOM 0 HD21 LEU A 8 8.265 9.647 7.894 1.00 25.00 H new ATOM 0 HD22 LEU A 8 9.333 10.526 9.013 1.00 25.00 H new ATOM 0 HD23 LEU A 8 10.003 9.789 7.538 1.00 25.00 H new ATOM 131 N CYS A 9 13.679 9.731 10.027 1.00 25.00 N ATOM 132 CA CYS A 9 14.788 9.930 10.947 1.00 25.00 C ATOM 133 C CYS A 9 14.669 11.297 11.598 1.00 25.00 C ATOM 134 O CYS A 9 14.003 12.188 11.063 1.00 25.00 O ATOM 135 CB CYS A 9 16.115 9.812 10.192 1.00 25.00 C ATOM 136 SG CYS A 9 17.398 8.895 11.112 1.00 25.00 S ATOM 0 H CYS A 9 13.244 10.590 9.691 1.00 25.00 H new ATOM 0 HA CYS A 9 14.759 9.165 11.723 1.00 25.00 H new ATOM 0 HB2 CYS A 9 15.938 9.315 9.238 1.00 25.00 H new ATOM 0 HB3 CYS A 9 16.486 10.812 9.967 1.00 25.00 H new ATOM 141 N GLY A 10 15.300 11.465 12.752 1.00 25.00 N ATOM 142 CA GLY A 10 15.270 12.745 13.439 1.00 25.00 C ATOM 143 C GLY A 10 13.860 13.209 13.752 1.00 25.00 C ATOM 144 O GLY A 10 12.998 12.421 14.146 1.00 25.00 O ATOM 0 H GLY A 10 15.834 10.737 13.227 1.00 25.00 H new ATOM 0 HA2 GLY A 10 15.837 12.668 14.367 1.00 25.00 H new ATOM 0 HA3 GLY A 10 15.767 13.495 12.823 1.00 25.00 H new ATOM 148 N GLY A 11 13.616 14.494 13.535 1.00 25.00 N ATOM 149 CA GLY A 11 12.307 15.073 13.798 1.00 25.00 C ATOM 150 C GLY A 11 11.189 14.526 12.928 1.00 25.00 C ATOM 151 O GLY A 11 10.041 14.556 13.333 1.00 25.00 O ATOM 0 H GLY A 11 14.307 15.154 13.178 1.00 25.00 H new ATOM 0 HA2 GLY A 11 12.052 14.903 14.844 1.00 25.00 H new ATOM 0 HA3 GLY A 11 12.366 16.152 13.656 1.00 25.00 H new ATOM 155 N GLU A 12 11.504 13.991 11.756 1.00 25.00 N ATOM 156 CA GLU A 12 10.461 13.430 10.891 1.00 25.00 C ATOM 157 C GLU A 12 9.871 12.182 11.536 1.00 25.00 C ATOM 158 O GLU A 12 8.673 11.914 11.434 1.00 25.00 O ATOM 159 CB GLU A 12 11.027 13.070 9.510 1.00 25.00 C ATOM 160 CG GLU A 12 11.494 14.268 8.682 1.00 25.00 C ATOM 161 CD GLU A 12 10.347 15.066 8.124 1.00 25.00 C ATOM 162 OE1 GLU A 12 9.567 15.676 8.794 1.00 25.00 O ATOM 163 OE2 GLU A 12 10.284 15.043 6.842 1.00 25.00 O ATOM 0 H GLU A 12 12.451 13.931 11.383 1.00 25.00 H new ATOM 0 HA GLU A 12 9.684 14.183 10.763 1.00 25.00 H new ATOM 0 HB2 GLU A 12 11.866 12.387 9.642 1.00 25.00 H new ATOM 0 HB3 GLU A 12 10.264 12.532 8.948 1.00 25.00 H new ATOM 0 HG2 GLU A 12 12.114 14.915 9.303 1.00 25.00 H new ATOM 0 HG3 GLU A 12 12.121 13.917 7.862 1.00 25.00 H new ATOM 170 N LEU A 13 10.716 11.430 12.227 1.00 25.00 N ATOM 171 CA LEU A 13 10.262 10.223 12.901 1.00 25.00 C ATOM 172 C LEU A 13 9.417 10.620 14.102 1.00 25.00 C ATOM 173 O LEU A 13 8.356 10.057 14.336 1.00 25.00 O ATOM 174 CB LEU A 13 11.466 9.364 13.314 1.00 25.00 C ATOM 175 CG LEU A 13 11.189 7.955 13.870 1.00 25.00 C ATOM 176 CD1 LEU A 13 10.093 7.191 13.109 1.00 25.00 C ATOM 177 CD2 LEU A 13 12.496 7.165 13.830 1.00 25.00 C ATOM 0 H LEU A 13 11.710 11.632 12.335 1.00 25.00 H new ATOM 0 HA LEU A 13 9.651 9.622 12.228 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.116 9.259 12.445 1.00 25.00 H new ATOM 0 HB3 LEU A 13 12.028 9.916 14.067 1.00 25.00 H new ATOM 0 HG LEU A 13 10.817 8.069 14.888 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.955 6.208 13.559 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.158 7.748 13.161 1.00 25.00 H new ATOM 0 HD13 LEU A 13 10.388 7.074 12.066 1.00 25.00 H new ATOM 0 HD21 LEU A 13 12.326 6.161 14.219 1.00 25.00 H new ATOM 0 HD22 LEU A 13 12.851 7.100 12.801 1.00 25.00 H new ATOM 0 HD23 LEU A 13 13.245 7.669 14.441 1.00 25.00 H new ATOM 189 N VAL A 14 9.868 11.641 14.818 1.00 25.00 N ATOM 190 CA VAL A 14 9.135 12.171 15.972 1.00 25.00 C ATOM 191 C VAL A 14 7.756 12.668 15.556 1.00 25.00 C ATOM 192 O VAL A 14 6.774 12.327 16.187 1.00 25.00 O ATOM 193 CB VAL A 14 9.939 13.327 16.646 1.00 25.00 C ATOM 194 CG1 VAL A 14 9.089 14.093 17.685 1.00 25.00 C ATOM 195 CG2 VAL A 14 11.207 12.753 17.300 1.00 25.00 C ATOM 0 H VAL A 14 10.744 12.125 14.622 1.00 25.00 H new ATOM 0 HA VAL A 14 9.009 11.363 16.692 1.00 25.00 H new ATOM 0 HB VAL A 14 10.218 14.044 15.874 1.00 25.00 H new ATOM 0 HG11 VAL A 14 9.687 14.888 18.129 1.00 25.00 H new ATOM 0 HG12 VAL A 14 8.217 14.526 17.194 1.00 25.00 H new ATOM 0 HG13 VAL A 14 8.762 13.406 18.465 1.00 25.00 H new ATOM 0 HG21 VAL A 14 11.770 13.559 17.771 1.00 25.00 H new ATOM 0 HG22 VAL A 14 10.926 12.017 18.054 1.00 25.00 H new ATOM 0 HG23 VAL A 14 11.825 12.276 16.539 1.00 25.00 H new ATOM 205 N ASP A 15 7.682 13.415 14.464 1.00 25.00 N ATOM 206 CA ASP A 15 6.405 13.939 13.966 1.00 25.00 C ATOM 207 C ASP A 15 5.414 12.809 13.695 1.00 25.00 C ATOM 208 O ASP A 15 4.250 12.878 14.061 1.00 25.00 O ATOM 209 CB ASP A 15 6.647 14.728 12.674 1.00 25.00 C ATOM 210 CG ASP A 15 5.416 15.438 12.189 1.00 25.00 C ATOM 211 OD1 ASP A 15 4.537 15.807 12.903 1.00 25.00 O ATOM 212 OD2 ASP A 15 5.408 15.630 10.906 1.00 25.00 O ATOM 0 H ASP A 15 8.491 13.676 13.900 1.00 25.00 H new ATOM 0 HA ASP A 15 5.980 14.591 14.729 1.00 25.00 H new ATOM 0 HB2 ASP A 15 7.440 15.457 12.842 1.00 25.00 H new ATOM 0 HB3 ASP A 15 6.998 14.048 11.898 1.00 25.00 H new ATOM 217 N THR A 16 5.891 11.740 13.082 1.00 25.00 N ATOM 218 CA THR A 16 5.024 10.605 12.780 1.00 25.00 C ATOM 219 C THR A 16 4.594 9.869 14.053 1.00 25.00 C ATOM 220 O THR A 16 3.445 9.461 14.189 1.00 25.00 O ATOM 221 CB THR A 16 5.733 9.642 11.836 1.00 25.00 C ATOM 222 OG1 THR A 16 6.204 10.374 10.699 1.00 25.00 O ATOM 223 CG2 THR A 16 4.800 8.563 11.351 1.00 25.00 C ATOM 0 H THR A 16 6.861 11.630 12.785 1.00 25.00 H new ATOM 0 HA THR A 16 4.126 10.991 12.298 1.00 25.00 H new ATOM 0 HB THR A 16 6.557 9.176 12.377 1.00 25.00 H new ATOM 0 HG1 THR A 16 7.009 10.877 10.944 1.00 25.00 H new ATOM 0 HG21 THR A 16 5.337 7.893 10.680 1.00 25.00 H new ATOM 0 HG22 THR A 16 4.423 7.998 12.203 1.00 25.00 H new ATOM 0 HG23 THR A 16 3.964 9.017 10.819 1.00 25.00 H new ATOM 231 N LEU A 17 5.500 9.732 15.008 1.00 25.00 N ATOM 232 CA LEU A 17 5.164 9.104 16.287 1.00 25.00 C ATOM 233 C LEU A 17 4.141 9.948 17.056 1.00 25.00 C ATOM 234 O LEU A 17 3.220 9.408 17.660 1.00 25.00 O ATOM 235 CB LEU A 17 6.429 8.892 17.118 1.00 25.00 C ATOM 236 CG LEU A 17 7.286 7.703 16.650 1.00 25.00 C ATOM 237 CD1 LEU A 17 8.749 7.941 16.915 1.00 25.00 C ATOM 238 CD2 LEU A 17 6.848 6.410 17.344 1.00 25.00 C ATOM 0 H LEU A 17 6.468 10.043 14.928 1.00 25.00 H new ATOM 0 HA LEU A 17 4.713 8.132 16.088 1.00 25.00 H new ATOM 0 HB2 LEU A 17 7.032 9.799 17.083 1.00 25.00 H new ATOM 0 HB3 LEU A 17 6.147 8.737 18.159 1.00 25.00 H new ATOM 0 HG LEU A 17 7.138 7.603 15.575 1.00 25.00 H new ATOM 0 HD11 LEU A 17 9.325 7.082 16.572 1.00 25.00 H new ATOM 0 HD12 LEU A 17 9.075 8.833 16.380 1.00 25.00 H new ATOM 0 HD13 LEU A 17 8.907 8.081 17.984 1.00 25.00 H new ATOM 0 HD21 LEU A 17 7.468 5.583 16.998 1.00 25.00 H new ATOM 0 HD22 LEU A 17 6.960 6.520 18.423 1.00 25.00 H new ATOM 0 HD23 LEU A 17 5.804 6.205 17.106 1.00 25.00 H new ATOM 250 N GLN A 18 4.261 11.266 16.969 1.00 25.00 N ATOM 251 CA GLN A 18 3.299 12.179 17.590 1.00 25.00 C ATOM 252 C GLN A 18 1.934 12.084 16.911 1.00 25.00 C ATOM 253 O GLN A 18 0.922 12.403 17.510 1.00 25.00 O ATOM 254 CB GLN A 18 3.796 13.627 17.501 1.00 25.00 C ATOM 255 CG GLN A 18 4.971 13.919 18.411 1.00 25.00 C ATOM 256 CD GLN A 18 5.608 15.260 18.135 1.00 25.00 C ATOM 257 OE1 GLN A 18 6.069 15.529 17.039 1.00 25.00 O ATOM 258 NE2 GLN A 18 5.681 16.087 19.137 1.00 25.00 N ATOM 0 H GLN A 18 5.019 11.733 16.472 1.00 25.00 H new ATOM 0 HA GLN A 18 3.200 11.887 18.636 1.00 25.00 H new ATOM 0 HB2 GLN A 18 4.082 13.842 16.471 1.00 25.00 H new ATOM 0 HB3 GLN A 18 2.976 14.300 17.752 1.00 25.00 H new ATOM 0 HG2 GLN A 18 4.638 13.887 19.448 1.00 25.00 H new ATOM 0 HG3 GLN A 18 5.719 13.135 18.293 1.00 25.00 H new ATOM 0 HE21 GLN A 18 5.284 15.829 20.041 1.00 25.00 H new ATOM 0 HE22 GLN A 18 6.135 16.993 19.019 1.00 25.00 H new ATOM 267 N PHE A 19 1.898 11.631 15.669 1.00 25.00 N ATOM 268 CA PHE A 19 0.629 11.429 14.979 1.00 25.00 C ATOM 269 C PHE A 19 -0.045 10.126 15.419 1.00 25.00 C ATOM 270 O PHE A 19 -1.195 10.135 15.841 1.00 25.00 O ATOM 271 CB PHE A 19 0.835 11.427 13.461 1.00 25.00 C ATOM 272 CG PHE A 19 -0.439 11.237 12.684 1.00 25.00 C ATOM 273 CD1 PHE A 19 -1.318 12.316 12.480 1.00 25.00 C ATOM 274 CD2 PHE A 19 -0.774 9.973 12.162 1.00 25.00 C ATOM 275 CE1 PHE A 19 -2.526 12.139 11.758 1.00 25.00 C ATOM 276 CE2 PHE A 19 -1.978 9.782 11.440 1.00 25.00 C ATOM 277 CZ PHE A 19 -2.856 10.868 11.238 1.00 25.00 C ATOM 0 H PHE A 19 2.724 11.397 15.119 1.00 25.00 H new ATOM 0 HA PHE A 19 -0.027 12.258 15.247 1.00 25.00 H new ATOM 0 HB2 PHE A 19 1.296 12.369 13.163 1.00 25.00 H new ATOM 0 HB3 PHE A 19 1.534 10.633 13.198 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.071 13.289 12.877 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -0.105 9.139 12.314 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -3.193 12.975 11.606 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -2.223 8.807 11.045 1.00 25.00 H new ATOM 0 HZ PHE A 19 -3.775 10.728 10.689 1.00 25.00 H new ATOM 287 N VAL A 20 0.657 9.001 15.310 1.00 25.00 N ATOM 288 CA VAL A 20 0.037 7.692 15.585 1.00 25.00 C ATOM 289 C VAL A 20 -0.292 7.480 17.073 1.00 25.00 C ATOM 290 O VAL A 20 -1.216 6.746 17.408 1.00 25.00 O ATOM 291 CB VAL A 20 0.915 6.505 15.081 1.00 25.00 C ATOM 292 CG1 VAL A 20 1.315 6.712 13.624 1.00 25.00 C ATOM 293 CG2 VAL A 20 2.136 6.330 15.923 1.00 25.00 C ATOM 0 H VAL A 20 1.639 8.960 15.038 1.00 25.00 H new ATOM 0 HA VAL A 20 -0.900 7.705 15.028 1.00 25.00 H new ATOM 0 HB VAL A 20 0.314 5.599 15.161 1.00 25.00 H new ATOM 0 HG11 VAL A 20 1.927 5.873 13.292 1.00 25.00 H new ATOM 0 HG12 VAL A 20 0.419 6.775 13.006 1.00 25.00 H new ATOM 0 HG13 VAL A 20 1.885 7.636 13.531 1.00 25.00 H new ATOM 0 HG21 VAL A 20 2.724 5.494 15.543 1.00 25.00 H new ATOM 0 HG22 VAL A 20 2.735 7.240 15.889 1.00 25.00 H new ATOM 0 HG23 VAL A 20 1.842 6.128 16.953 1.00 25.00 H new ATOM 303 N CYS A 21 0.477 8.110 17.956 1.00 25.00 N ATOM 304 CA CYS A 21 0.288 7.955 19.408 1.00 25.00 C ATOM 305 C CYS A 21 -0.381 9.174 20.023 1.00 25.00 C ATOM 306 O CYS A 21 -0.708 9.196 21.216 1.00 25.00 O ATOM 307 CB CYS A 21 1.645 7.786 20.101 1.00 25.00 C ATOM 308 SG CYS A 21 2.647 6.407 19.471 1.00 25.00 S ATOM 0 H CYS A 21 1.240 8.735 17.698 1.00 25.00 H new ATOM 0 HA CYS A 21 -0.343 7.078 19.551 1.00 25.00 H new ATOM 0 HB2 CYS A 21 2.212 8.710 19.991 1.00 25.00 H new ATOM 0 HB3 CYS A 21 1.478 7.639 21.168 1.00 25.00 H new ATOM 313 N GLY A 22 -0.491 10.228 19.236 1.00 25.00 N ATOM 314 CA GLY A 22 -0.898 11.505 19.774 1.00 25.00 C ATOM 315 C GLY A 22 0.288 12.114 20.507 1.00 25.00 C ATOM 316 O GLY A 22 1.359 11.515 20.624 1.00 25.00 O ATOM 0 H GLY A 22 -0.306 10.223 18.233 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -1.230 12.166 18.973 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -1.741 11.380 20.454 1.00 25.00 H new ATOM 320 N ASP A 23 0.077 13.290 21.070 1.00 25.00 N ATOM 321 CA ASP A 23 1.106 13.996 21.848 1.00 25.00 C ATOM 322 C ASP A 23 1.386 13.318 23.203 1.00 25.00 C ATOM 323 O ASP A 23 2.054 13.861 24.068 1.00 25.00 O ATOM 324 CB ASP A 23 0.691 15.449 22.062 1.00 25.00 C ATOM 325 CG ASP A 23 1.854 16.326 22.493 1.00 25.00 C ATOM 326 OD1 ASP A 23 2.963 16.186 21.924 1.00 25.00 O ATOM 327 OD2 ASP A 23 1.651 17.148 23.412 1.00 25.00 O ATOM 0 H ASP A 23 -0.809 13.791 21.007 1.00 25.00 H new ATOM 0 HA ASP A 23 2.031 13.959 21.273 1.00 25.00 H new ATOM 0 HB2 ASP A 23 0.266 15.842 21.139 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -0.093 15.493 22.818 1.00 25.00 H new ATOM 332 N ARG A 24 0.742 12.185 23.444 1.00 25.00 N ATOM 333 CA ARG A 24 0.819 11.500 24.741 1.00 25.00 C ATOM 334 C ARG A 24 2.160 10.826 24.970 1.00 25.00 C ATOM 335 O ARG A 24 2.468 10.402 26.081 1.00 25.00 O ATOM 336 CB ARG A 24 -0.314 10.478 24.843 1.00 25.00 C ATOM 337 CG ARG A 24 -1.713 11.051 24.548 1.00 25.00 C ATOM 338 CD ARG A 24 -2.163 12.164 25.536 1.00 25.00 C ATOM 339 NE ARG A 24 -1.488 13.454 25.279 1.00 25.00 N ATOM 340 CZ ARG A 24 -1.695 14.589 25.934 1.00 25.00 C ATOM 341 NH1 ARG A 24 -2.583 14.689 26.894 1.00 25.00 N ATOM 342 NH2 ARG A 24 -0.990 15.641 25.619 1.00 25.00 N ATOM 0 H ARG A 24 0.154 11.712 22.757 1.00 25.00 H new ATOM 0 HA ARG A 24 0.714 12.256 25.520 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -0.115 9.662 24.149 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -0.313 10.051 25.846 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -1.723 11.453 23.535 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -2.440 10.239 24.576 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -3.242 12.300 25.459 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -1.954 11.845 26.557 1.00 25.00 H new ATOM 0 HE ARG A 24 -0.798 13.473 24.528 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -3.141 13.878 27.159 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -2.715 15.578 27.376 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -0.291 15.584 24.878 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -1.138 16.521 26.114 1.00 25.00 H new ATOM 356 N GLY A 25 2.977 10.794 23.935 1.00 25.00 N ATOM 357 CA GLY A 25 4.324 10.281 24.063 1.00 25.00 C ATOM 358 C GLY A 25 4.488 8.892 23.499 1.00 25.00 C ATOM 359 O GLY A 25 3.533 8.142 23.289 1.00 25.00 O ATOM 0 H GLY A 25 2.731 11.117 22.999 1.00 25.00 H new ATOM 0 HA2 GLY A 25 5.013 10.956 23.555 1.00 25.00 H new ATOM 0 HA3 GLY A 25 4.604 10.274 25.116 1.00 25.00 H new ATOM 363 N PHE A 26 5.736 8.560 23.235 1.00 25.00 N ATOM 364 CA PHE A 26 6.098 7.316 22.589 1.00 25.00 C ATOM 365 C PHE A 26 7.474 6.943 23.089 1.00 25.00 C ATOM 366 O PHE A 26 8.177 7.761 23.685 1.00 25.00 O ATOM 367 CB PHE A 26 6.124 7.528 21.079 1.00 25.00 C ATOM 368 CG PHE A 26 6.806 8.800 20.683 1.00 25.00 C ATOM 369 CD1 PHE A 26 6.055 9.982 20.522 1.00 25.00 C ATOM 370 CD2 PHE A 26 8.199 8.844 20.498 1.00 25.00 C ATOM 371 CE1 PHE A 26 6.686 11.191 20.201 1.00 25.00 C ATOM 372 CE2 PHE A 26 8.839 10.059 20.166 1.00 25.00 C ATOM 373 CZ PHE A 26 8.077 11.233 20.025 1.00 25.00 C ATOM 0 H PHE A 26 6.534 9.152 23.465 1.00 25.00 H new ATOM 0 HA PHE A 26 5.384 6.524 22.813 1.00 25.00 H new ATOM 0 HB2 PHE A 26 6.632 6.687 20.607 1.00 25.00 H new ATOM 0 HB3 PHE A 26 5.102 7.536 20.700 1.00 25.00 H new ATOM 0 HD1 PHE A 26 4.983 9.955 20.647 1.00 25.00 H new ATOM 0 HD2 PHE A 26 8.784 7.943 20.610 1.00 25.00 H new ATOM 0 HE1 PHE A 26 6.101 12.092 20.089 1.00 25.00 H new ATOM 0 HE2 PHE A 26 9.909 10.086 20.021 1.00 25.00 H new ATOM 0 HZ PHE A 26 8.563 12.166 19.781 1.00 25.00 H new ATOM 383 N TYR A 27 7.857 5.711 22.843 1.00 25.00 N ATOM 384 CA TYR A 27 9.164 5.215 23.205 1.00 25.00 C ATOM 385 C TYR A 27 9.990 5.245 21.926 1.00 25.00 C ATOM 386 O TYR A 27 9.506 4.873 20.875 1.00 25.00 O ATOM 387 CB TYR A 27 9.061 3.760 23.669 1.00 25.00 C ATOM 388 CG TYR A 27 8.349 3.478 24.999 1.00 25.00 C ATOM 389 CD1 TYR A 27 7.691 4.485 25.761 1.00 25.00 C ATOM 390 CD2 TYR A 27 8.338 2.162 25.506 1.00 25.00 C ATOM 391 CE1 TYR A 27 7.086 4.164 27.012 1.00 25.00 C ATOM 392 CE2 TYR A 27 7.728 1.850 26.743 1.00 25.00 C ATOM 393 CZ TYR A 27 7.116 2.856 27.488 1.00 25.00 C ATOM 394 OH TYR A 27 6.528 2.564 28.691 1.00 25.00 O ATOM 0 H TYR A 27 7.265 5.020 22.382 1.00 25.00 H new ATOM 0 HA TYR A 27 9.601 5.812 24.005 1.00 25.00 H new ATOM 0 HB2 TYR A 27 8.549 3.196 22.890 1.00 25.00 H new ATOM 0 HB3 TYR A 27 10.072 3.359 23.740 1.00 25.00 H new ATOM 0 HD1 TYR A 27 7.650 5.498 25.389 1.00 25.00 H new ATOM 0 HD2 TYR A 27 8.807 1.374 24.936 1.00 25.00 H new ATOM 0 HE1 TYR A 27 6.604 4.937 27.591 1.00 25.00 H new ATOM 0 HE2 TYR A 27 7.736 0.834 27.110 1.00 25.00 H new ATOM 0 HH TYR A 27 6.633 1.609 28.883 1.00 25.00 H new ATOM 404 N PHE A 28 11.257 5.612 22.010 1.00 25.00 N ATOM 405 CA PHE A 28 12.128 5.538 20.831 1.00 25.00 C ATOM 406 C PHE A 28 12.916 4.251 20.881 1.00 25.00 C ATOM 407 O PHE A 28 13.462 3.782 19.890 1.00 25.00 O ATOM 408 CB PHE A 28 13.121 6.700 20.809 1.00 25.00 C ATOM 409 CG PHE A 28 13.078 7.500 19.536 1.00 25.00 C ATOM 410 CD1 PHE A 28 14.136 7.431 18.609 1.00 25.00 C ATOM 411 CD2 PHE A 28 11.969 8.314 19.246 1.00 25.00 C ATOM 412 CE1 PHE A 28 14.093 8.180 17.404 1.00 25.00 C ATOM 413 CE2 PHE A 28 11.915 9.065 18.044 1.00 25.00 C ATOM 414 CZ PHE A 28 12.981 9.001 17.127 1.00 25.00 C ATOM 0 H PHE A 28 11.706 5.958 22.858 1.00 25.00 H new ATOM 0 HA PHE A 28 11.502 5.583 19.940 1.00 25.00 H new ATOM 0 HB2 PHE A 28 12.915 7.360 21.651 1.00 25.00 H new ATOM 0 HB3 PHE A 28 14.129 6.309 20.950 1.00 25.00 H new ATOM 0 HD1 PHE A 28 14.989 6.802 18.817 1.00 25.00 H new ATOM 0 HD2 PHE A 28 11.149 8.368 19.947 1.00 25.00 H new ATOM 0 HE1 PHE A 28 14.911 8.121 16.701 1.00 25.00 H new ATOM 0 HE2 PHE A 28 11.057 9.685 17.832 1.00 25.00 H new ATOM 0 HZ PHE A 28 12.947 9.578 16.215 1.00 25.00 H new ATOM 424 N ASN A 29 13.078 3.772 22.099 1.00 25.00 N ATOM 425 CA ASN A 29 14.083 2.775 22.422 1.00 25.00 C ATOM 426 C ASN A 29 13.643 1.895 23.547 1.00 25.00 C ATOM 427 O ASN A 29 14.454 1.273 24.211 1.00 25.00 O ATOM 428 CB ASN A 29 15.367 3.505 22.823 1.00 25.00 C ATOM 429 CG ASN A 29 15.160 4.458 24.006 1.00 25.00 C ATOM 430 OD1 ASN A 29 14.267 5.301 24.005 1.00 25.00 O ATOM 431 ND2 ASN A 29 15.964 4.323 25.006 1.00 25.00 N ATOM 0 H ASN A 29 12.514 4.064 22.897 1.00 25.00 H new ATOM 0 HA ASN A 29 14.246 2.142 21.550 1.00 25.00 H new ATOM 0 HB2 ASN A 29 16.131 2.772 23.081 1.00 25.00 H new ATOM 0 HB3 ASN A 29 15.742 4.069 21.969 1.00 25.00 H new ATOM 0 HD21 ASN A 29 15.867 4.925 25.823 1.00 25.00 H new ATOM 0 HD22 ASN A 29 16.697 3.614 24.979 1.00 25.00 H new ATOM 438 N ARG A 30 12.335 1.848 23.738 1.00 25.00 N ATOM 439 CA ARG A 30 11.719 0.985 24.743 1.00 25.00 C ATOM 440 C ARG A 30 12.376 1.076 26.115 1.00 25.00 C ATOM 441 O ARG A 30 12.819 0.073 26.668 1.00 25.00 O ATOM 442 CB ARG A 30 11.770 -0.441 24.231 1.00 25.00 C ATOM 443 CG ARG A 30 11.417 -0.504 22.782 1.00 25.00 C ATOM 444 CD ARG A 30 10.915 -1.877 22.380 1.00 25.00 C ATOM 445 NE ARG A 30 11.967 -2.905 22.489 1.00 25.00 N ATOM 446 CZ ARG A 30 12.827 -3.235 21.530 1.00 25.00 C ATOM 447 NH1 ARG A 30 12.820 -2.670 20.346 1.00 25.00 N ATOM 448 NH2 ARG A 30 13.713 -4.162 21.767 1.00 25.00 N ATOM 0 H ARG A 30 11.668 2.404 23.204 1.00 25.00 H new ATOM 0 HA ARG A 30 10.692 1.321 24.888 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.769 -0.850 24.383 1.00 25.00 H new ATOM 0 HB3 ARG A 30 11.081 -1.061 24.804 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.652 0.241 22.562 1.00 25.00 H new ATOM 0 HG3 ARG A 30 12.292 -0.248 22.184 1.00 25.00 H new ATOM 0 HD2 ARG A 30 10.071 -2.154 23.012 1.00 25.00 H new ATOM 0 HD3 ARG A 30 10.547 -1.842 21.355 1.00 25.00 H new ATOM 0 HE ARG A 30 12.041 -3.405 23.375 1.00 25.00 H new ATOM 0 HH11 ARG A 30 12.135 -1.945 20.131 1.00 25.00 H new ATOM 0 HH12 ARG A 30 13.499 -2.955 19.641 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.739 -4.622 22.677 1.00 25.00 H new ATOM 0 HH22 ARG A 30 14.380 -4.427 21.042 1.00 25.00 H new ATOM 462 N PRO A 31 12.505 2.300 26.649 1.00 25.00 N ATOM 463 CA PRO A 31 13.345 2.361 27.842 1.00 25.00 C ATOM 464 C PRO A 31 12.684 1.826 29.099 1.00 25.00 C ATOM 465 O PRO A 31 13.338 1.255 29.969 1.00 25.00 O ATOM 466 CB PRO A 31 13.611 3.856 27.986 1.00 25.00 C ATOM 467 CG PRO A 31 12.419 4.526 27.374 1.00 25.00 C ATOM 468 CD PRO A 31 12.051 3.636 26.217 1.00 25.00 C ATOM 0 HA PRO A 31 14.233 1.739 27.730 1.00 25.00 H new ATOM 0 HB2 PRO A 31 13.727 4.137 29.033 1.00 25.00 H new ATOM 0 HB3 PRO A 31 14.530 4.144 27.476 1.00 25.00 H new ATOM 0 HG2 PRO A 31 11.600 4.611 28.088 1.00 25.00 H new ATOM 0 HG3 PRO A 31 12.657 5.536 27.040 1.00 25.00 H new ATOM 0 HD2 PRO A 31 10.978 3.652 26.024 1.00 25.00 H new ATOM 0 HD3 PRO A 31 12.545 3.949 25.297 1.00 25.00 H new ATOM 476 N ALA A 32 11.387 2.087 29.179 1.00 25.00 N ATOM 477 CA ALA A 32 10.518 1.693 30.299 1.00 25.00 C ATOM 478 C ALA A 32 11.091 2.085 31.672 1.00 25.00 C ATOM 479 O ALA A 32 10.852 1.425 32.677 1.00 25.00 O ATOM 480 CB ALA A 32 10.232 0.183 30.233 1.00 25.00 C ATOM 0 H ALA A 32 10.887 2.594 28.448 1.00 25.00 H new ATOM 0 HA ALA A 32 9.584 2.245 30.193 1.00 25.00 H new ATOM 0 HB1 ALA A 32 9.588 -0.102 31.065 1.00 25.00 H new ATOM 0 HB2 ALA A 32 9.735 -0.052 29.292 1.00 25.00 H new ATOM 0 HB3 ALA A 32 11.170 -0.368 30.295 1.00 25.00 H new ATOM 486 N SER A 33 11.864 3.157 31.692 1.00 25.00 N ATOM 487 CA SER A 33 12.544 3.603 32.897 1.00 25.00 C ATOM 488 C SER A 33 12.892 5.070 32.729 1.00 25.00 C ATOM 489 O SER A 33 12.823 5.604 31.625 1.00 25.00 O ATOM 490 CB SER A 33 13.819 2.784 33.106 1.00 25.00 C ATOM 491 OG SER A 33 14.684 2.918 31.993 1.00 25.00 O ATOM 0 H SER A 33 12.038 3.742 30.875 1.00 25.00 H new ATOM 0 HA SER A 33 11.900 3.468 33.766 1.00 25.00 H new ATOM 0 HB2 SER A 33 14.327 3.117 34.011 1.00 25.00 H new ATOM 0 HB3 SER A 33 13.564 1.734 33.251 1.00 25.00 H new ATOM 0 HG SER A 33 14.325 2.409 31.236 1.00 25.00 H new ATOM 497 N ARG A 34 13.256 5.722 33.826 1.00 25.00 N ATOM 498 CA ARG A 34 13.572 7.160 33.824 1.00 25.00 C ATOM 499 C ARG A 34 14.989 7.382 34.335 1.00 25.00 C ATOM 500 O ARG A 34 15.346 8.461 34.780 1.00 25.00 O ATOM 501 CB ARG A 34 12.569 7.902 34.706 1.00 25.00 C ATOM 502 CG ARG A 34 11.125 7.775 34.227 1.00 25.00 C ATOM 503 CD ARG A 34 10.174 8.241 35.300 1.00 25.00 C ATOM 504 NE ARG A 34 8.768 8.049 34.895 1.00 25.00 N ATOM 505 CZ ARG A 34 7.706 8.309 35.653 1.00 25.00 C ATOM 506 NH1 ARG A 34 7.811 8.785 36.870 1.00 25.00 N ATOM 507 NH2 ARG A 34 6.514 8.084 35.175 1.00 25.00 N ATOM 0 H ARG A 34 13.343 5.280 34.741 1.00 25.00 H new ATOM 0 HA ARG A 34 13.506 7.544 32.806 1.00 25.00 H new ATOM 0 HB2 ARG A 34 12.640 7.520 35.724 1.00 25.00 H new ATOM 0 HB3 ARG A 34 12.840 8.957 34.742 1.00 25.00 H new ATOM 0 HG2 ARG A 34 10.981 8.366 33.323 1.00 25.00 H new ATOM 0 HG3 ARG A 34 10.911 6.738 33.967 1.00 25.00 H new ATOM 0 HD2 ARG A 34 10.367 7.692 36.222 1.00 25.00 H new ATOM 0 HD3 ARG A 34 10.352 9.295 35.513 1.00 25.00 H new ATOM 0 HE ARG A 34 8.596 7.687 33.957 1.00 25.00 H new ATOM 0 HH11 ARG A 34 8.732 8.969 37.268 1.00 25.00 H new ATOM 0 HH12 ARG A 34 6.972 8.971 37.419 1.00 25.00 H new ATOM 0 HH21 ARG A 34 6.405 7.713 34.231 1.00 25.00 H new ATOM 0 HH22 ARG A 34 5.691 8.279 35.745 1.00 25.00 H new ATOM 521 N VAL A 35 15.781 6.324 34.279 1.00 25.00 N ATOM 522 CA VAL A 35 17.158 6.343 34.800 1.00 25.00 C ATOM 523 C VAL A 35 18.086 7.260 34.005 1.00 25.00 C ATOM 524 O VAL A 35 19.125 7.667 34.500 1.00 25.00 O ATOM 525 CB VAL A 35 17.765 4.908 34.842 1.00 25.00 C ATOM 526 CG1 VAL A 35 16.923 4.016 35.750 1.00 25.00 C ATOM 527 CG2 VAL A 35 17.840 4.280 33.428 1.00 25.00 C ATOM 0 H VAL A 35 15.501 5.430 33.877 1.00 25.00 H new ATOM 0 HA VAL A 35 17.084 6.741 35.812 1.00 25.00 H new ATOM 0 HB VAL A 35 18.779 4.987 35.234 1.00 25.00 H new ATOM 0 HG11 VAL A 35 17.352 3.014 35.775 1.00 25.00 H new ATOM 0 HG12 VAL A 35 16.911 4.431 36.758 1.00 25.00 H new ATOM 0 HG13 VAL A 35 15.904 3.965 35.366 1.00 25.00 H new ATOM 0 HG21 VAL A 35 18.268 3.280 33.496 1.00 25.00 H new ATOM 0 HG22 VAL A 35 16.838 4.217 33.004 1.00 25.00 H new ATOM 0 HG23 VAL A 35 18.467 4.900 32.787 1.00 25.00 H new ATOM 537 N SER A 36 17.675 7.595 32.786 1.00 25.00 N ATOM 538 CA SER A 36 18.351 8.596 31.942 1.00 25.00 C ATOM 539 C SER A 36 19.878 8.484 31.813 1.00 25.00 C ATOM 540 O SER A 36 20.565 9.487 31.664 1.00 25.00 O ATOM 541 CB SER A 36 18.003 9.989 32.468 1.00 25.00 C ATOM 542 OG SER A 36 16.599 10.102 32.645 1.00 25.00 O ATOM 0 H SER A 36 16.855 7.179 32.344 1.00 25.00 H new ATOM 0 HA SER A 36 17.979 8.404 30.935 1.00 25.00 H new ATOM 0 HB2 SER A 36 18.513 10.168 33.415 1.00 25.00 H new ATOM 0 HB3 SER A 36 18.353 10.749 31.769 1.00 25.00 H new ATOM 0 HG SER A 36 16.328 9.601 33.442 1.00 25.00 H new ATOM 548 N ARG A 37 20.406 7.265 31.834 1.00 25.00 N ATOM 549 CA ARG A 37 21.863 7.032 31.783 1.00 25.00 C ATOM 550 C ARG A 37 22.537 7.325 30.432 1.00 25.00 C ATOM 551 O ARG A 37 23.693 6.983 30.251 1.00 25.00 O ATOM 552 CB ARG A 37 22.168 5.577 32.179 1.00 25.00 C ATOM 553 CG ARG A 37 21.877 5.252 33.641 1.00 25.00 C ATOM 554 CD ARG A 37 22.369 3.844 33.975 1.00 25.00 C ATOM 555 NE ARG A 37 22.185 3.512 35.398 1.00 25.00 N ATOM 556 CZ ARG A 37 22.585 2.383 35.978 1.00 25.00 C ATOM 557 NH1 ARG A 37 23.190 1.428 35.314 1.00 25.00 N ATOM 558 NH2 ARG A 37 22.371 2.212 37.254 1.00 25.00 N ATOM 0 H ARG A 37 19.850 6.411 31.886 1.00 25.00 H new ATOM 0 HA ARG A 37 22.284 7.750 32.487 1.00 25.00 H new ATOM 0 HB2 ARG A 37 21.582 4.910 31.547 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.218 5.369 31.974 1.00 25.00 H new ATOM 0 HG2 ARG A 37 22.367 5.980 34.288 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.806 5.326 33.832 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.833 3.119 33.363 1.00 25.00 H new ATOM 0 HD3 ARG A 37 23.425 3.760 33.718 1.00 25.00 H new ATOM 0 HE ARG A 37 21.714 4.201 35.985 1.00 25.00 H new ATOM 0 HH11 ARG A 37 23.370 1.536 34.316 1.00 25.00 H new ATOM 0 HH12 ARG A 37 23.481 0.577 35.796 1.00 25.00 H new ATOM 0 HH21 ARG A 37 21.902 2.939 37.794 1.00 25.00 H new ATOM 0 HH22 ARG A 37 22.673 1.351 37.711 1.00 25.00 H new ATOM 572 N ARG A 38 21.797 7.913 29.492 1.00 25.00 N ATOM 573 CA ARG A 38 22.297 8.262 28.138 1.00 25.00 C ATOM 574 C ARG A 38 22.868 7.069 27.376 1.00 25.00 C ATOM 575 O ARG A 38 23.645 7.219 26.445 1.00 25.00 O ATOM 576 CB ARG A 38 23.356 9.366 28.230 1.00 25.00 C ATOM 577 CG ARG A 38 22.845 10.653 28.833 1.00 25.00 C ATOM 578 CD ARG A 38 22.028 11.456 27.816 1.00 25.00 C ATOM 579 NE ARG A 38 21.673 12.795 28.325 1.00 25.00 N ATOM 580 CZ ARG A 38 22.413 13.893 28.185 1.00 25.00 C ATOM 581 NH1 ARG A 38 23.572 13.891 27.570 1.00 25.00 N ATOM 582 NH2 ARG A 38 21.973 15.020 28.674 1.00 25.00 N ATOM 0 H ARG A 38 20.820 8.168 29.639 1.00 25.00 H new ATOM 0 HA ARG A 38 21.432 8.614 27.576 1.00 25.00 H new ATOM 0 HB2 ARG A 38 24.194 9.004 28.826 1.00 25.00 H new ATOM 0 HB3 ARG A 38 23.741 9.571 27.231 1.00 25.00 H new ATOM 0 HG2 ARG A 38 22.228 10.430 29.704 1.00 25.00 H new ATOM 0 HG3 ARG A 38 23.685 11.253 29.183 1.00 25.00 H new ATOM 0 HD2 ARG A 38 22.598 11.559 26.893 1.00 25.00 H new ATOM 0 HD3 ARG A 38 21.118 10.909 27.569 1.00 25.00 H new ATOM 0 HE ARG A 38 20.789 12.887 28.825 1.00 25.00 H new ATOM 0 HH11 ARG A 38 23.939 13.025 27.176 1.00 25.00 H new ATOM 0 HH12 ARG A 38 24.106 14.756 27.486 1.00 25.00 H new ATOM 0 HH21 ARG A 38 21.074 15.051 29.155 1.00 25.00 H new ATOM 0 HH22 ARG A 38 22.528 15.870 28.575 1.00 25.00 H new ATOM 596 N SER A 39 22.454 5.886 27.783 1.00 25.00 N ATOM 597 CA SER A 39 22.889 4.648 27.137 1.00 25.00 C ATOM 598 C SER A 39 22.351 4.631 25.700 1.00 25.00 C ATOM 599 O SER A 39 21.205 5.040 25.476 1.00 25.00 O ATOM 600 CB SER A 39 22.350 3.441 27.909 1.00 25.00 C ATOM 601 OG SER A 39 22.724 2.226 27.283 1.00 25.00 O ATOM 0 H SER A 39 21.812 5.748 28.563 1.00 25.00 H new ATOM 0 HA SER A 39 23.978 4.597 27.127 1.00 25.00 H new ATOM 0 HB2 SER A 39 22.730 3.459 28.930 1.00 25.00 H new ATOM 0 HB3 SER A 39 21.264 3.502 27.972 1.00 25.00 H new ATOM 0 HG SER A 39 22.369 1.471 27.797 1.00 25.00 H new ATOM 607 N PRO A 40 23.146 4.151 24.716 1.00 25.00 N ATOM 608 CA PRO A 40 22.709 4.102 23.309 1.00 25.00 C ATOM 609 C PRO A 40 21.734 2.948 23.001 1.00 25.00 C ATOM 610 O PRO A 40 21.939 2.148 22.082 1.00 25.00 O ATOM 611 CB PRO A 40 24.035 3.945 22.561 1.00 25.00 C ATOM 612 CG PRO A 40 24.848 3.119 23.470 1.00 25.00 C ATOM 613 CD PRO A 40 24.530 3.647 24.849 1.00 25.00 C ATOM 0 HA PRO A 40 22.137 4.984 23.022 1.00 25.00 H new ATOM 0 HB2 PRO A 40 23.896 3.460 21.595 1.00 25.00 H new ATOM 0 HB3 PRO A 40 24.504 4.910 22.369 1.00 25.00 H new ATOM 0 HG2 PRO A 40 24.593 2.063 23.381 1.00 25.00 H new ATOM 0 HG3 PRO A 40 25.911 3.210 23.245 1.00 25.00 H new ATOM 0 HD2 PRO A 40 24.601 2.865 25.604 1.00 25.00 H new ATOM 0 HD3 PRO A 40 25.219 4.439 25.144 1.00 25.00 H new ATOM 621 N GLN A 41 20.676 2.867 23.791 1.00 25.00 N ATOM 622 CA GLN A 41 19.631 1.866 23.617 1.00 25.00 C ATOM 623 C GLN A 41 18.894 2.173 22.306 1.00 25.00 C ATOM 624 O GLN A 41 18.731 3.333 21.935 1.00 25.00 O ATOM 625 CB GLN A 41 18.685 1.919 24.817 1.00 25.00 C ATOM 626 CG GLN A 41 17.691 0.759 24.910 1.00 25.00 C ATOM 627 CD GLN A 41 16.799 0.868 26.135 1.00 25.00 C ATOM 628 OE1 GLN A 41 16.752 1.902 26.790 1.00 25.00 O ATOM 629 NE2 GLN A 41 16.105 -0.192 26.453 1.00 25.00 N ATOM 0 H GLN A 41 20.515 3.497 24.577 1.00 25.00 H new ATOM 0 HA GLN A 41 20.048 0.860 23.562 1.00 25.00 H new ATOM 0 HB2 GLN A 41 19.281 1.941 25.729 1.00 25.00 H new ATOM 0 HB3 GLN A 41 18.126 2.854 24.779 1.00 25.00 H new ATOM 0 HG2 GLN A 41 17.073 0.739 24.012 1.00 25.00 H new ATOM 0 HG3 GLN A 41 18.237 -0.184 24.942 1.00 25.00 H new ATOM 0 HE21 GLN A 41 16.171 -1.035 25.882 1.00 25.00 H new ATOM 0 HE22 GLN A 41 15.497 -0.177 27.272 1.00 25.00 H new ATOM 638 N ARG A 42 18.497 1.131 21.589 1.00 25.00 N ATOM 639 CA ARG A 42 17.955 1.268 20.233 1.00 25.00 C ATOM 640 C ARG A 42 16.495 0.847 20.132 1.00 25.00 C ATOM 641 O ARG A 42 15.958 0.215 21.038 1.00 25.00 O ATOM 642 CB ARG A 42 18.806 0.412 19.305 1.00 25.00 C ATOM 643 CG ARG A 42 20.212 0.967 19.104 1.00 25.00 C ATOM 644 CD ARG A 42 21.210 -0.143 18.846 1.00 25.00 C ATOM 645 NE ARG A 42 22.106 0.209 17.739 1.00 25.00 N ATOM 646 CZ ARG A 42 23.249 0.872 17.842 1.00 25.00 C ATOM 647 NH1 ARG A 42 23.714 1.309 18.991 1.00 25.00 N ATOM 648 NH2 ARG A 42 23.936 1.106 16.759 1.00 25.00 N ATOM 0 H ARG A 42 18.539 0.168 21.924 1.00 25.00 H new ATOM 0 HA ARG A 42 17.989 2.321 19.952 1.00 25.00 H new ATOM 0 HB2 ARG A 42 18.874 -0.597 19.712 1.00 25.00 H new ATOM 0 HB3 ARG A 42 18.311 0.333 18.337 1.00 25.00 H new ATOM 0 HG2 ARG A 42 20.214 1.663 18.265 1.00 25.00 H new ATOM 0 HG3 ARG A 42 20.512 1.531 19.987 1.00 25.00 H new ATOM 0 HD2 ARG A 42 21.794 -0.330 19.747 1.00 25.00 H new ATOM 0 HD3 ARG A 42 20.681 -1.067 18.612 1.00 25.00 H new ATOM 0 HE ARG A 42 21.823 -0.084 16.804 1.00 25.00 H new ATOM 0 HH11 ARG A 42 23.190 1.142 19.850 1.00 25.00 H new ATOM 0 HH12 ARG A 42 24.599 1.815 19.024 1.00 25.00 H new ATOM 0 HH21 ARG A 42 23.591 0.781 15.856 1.00 25.00 H new ATOM 0 HH22 ARG A 42 24.818 1.614 16.815 1.00 25.00 H new ATOM 662 N GLY A 43 15.857 1.214 19.029 1.00 25.00 N ATOM 663 CA GLY A 43 14.449 0.901 18.833 1.00 25.00 C ATOM 664 C GLY A 43 13.898 1.321 17.480 1.00 25.00 C ATOM 665 O GLY A 43 14.344 0.833 16.447 1.00 25.00 O ATOM 0 H GLY A 43 16.290 1.726 18.260 1.00 25.00 H new ATOM 0 HA2 GLY A 43 14.307 -0.173 18.952 1.00 25.00 H new ATOM 0 HA3 GLY A 43 13.868 1.388 19.616 1.00 25.00 H new ATOM 669 N ILE A 44 12.922 2.222 17.488 1.00 25.00 N ATOM 670 CA ILE A 44 12.209 2.639 16.273 1.00 25.00 C ATOM 671 C ILE A 44 13.142 3.236 15.218 1.00 25.00 C ATOM 672 O ILE A 44 12.942 3.045 14.032 1.00 25.00 O ATOM 673 CB ILE A 44 11.066 3.657 16.633 1.00 25.00 C ATOM 674 CG1 ILE A 44 10.168 3.945 15.420 1.00 25.00 C ATOM 675 CG2 ILE A 44 11.640 4.994 17.141 1.00 25.00 C ATOM 676 CD1 ILE A 44 9.178 2.856 15.082 1.00 25.00 C ATOM 0 H ILE A 44 12.598 2.688 18.335 1.00 25.00 H new ATOM 0 HA ILE A 44 11.770 1.741 15.837 1.00 25.00 H new ATOM 0 HB ILE A 44 10.476 3.190 17.422 1.00 25.00 H new ATOM 0 HG12 ILE A 44 9.619 4.868 15.605 1.00 25.00 H new ATOM 0 HG13 ILE A 44 10.803 4.120 14.551 1.00 25.00 H new ATOM 0 HG21 ILE A 44 10.822 5.674 17.380 1.00 25.00 H new ATOM 0 HG22 ILE A 44 12.238 4.817 18.035 1.00 25.00 H new ATOM 0 HG23 ILE A 44 12.266 5.438 16.367 1.00 25.00 H new ATOM 0 HD11 ILE A 44 8.592 3.154 14.212 1.00 25.00 H new ATOM 0 HD12 ILE A 44 9.714 1.933 14.860 1.00 25.00 H new ATOM 0 HD13 ILE A 44 8.512 2.694 15.930 1.00 25.00 H new ATOM 688 N VAL A 45 14.196 3.909 15.645 1.00 25.00 N ATOM 689 CA VAL A 45 15.158 4.485 14.707 1.00 25.00 C ATOM 690 C VAL A 45 15.798 3.402 13.828 1.00 25.00 C ATOM 691 O VAL A 45 16.035 3.619 12.652 1.00 25.00 O ATOM 692 CB VAL A 45 16.223 5.343 15.458 1.00 25.00 C ATOM 693 CG1 VAL A 45 16.909 4.537 16.568 1.00 25.00 C ATOM 694 CG2 VAL A 45 17.251 5.923 14.482 1.00 25.00 C ATOM 0 H VAL A 45 14.411 4.072 16.628 1.00 25.00 H new ATOM 0 HA VAL A 45 14.620 5.155 14.036 1.00 25.00 H new ATOM 0 HB VAL A 45 15.702 6.176 15.930 1.00 25.00 H new ATOM 0 HG11 VAL A 45 17.645 5.164 17.071 1.00 25.00 H new ATOM 0 HG12 VAL A 45 16.163 4.203 17.289 1.00 25.00 H new ATOM 0 HG13 VAL A 45 17.407 3.670 16.134 1.00 25.00 H new ATOM 0 HG21 VAL A 45 17.981 6.516 15.033 1.00 25.00 H new ATOM 0 HG22 VAL A 45 17.760 5.110 13.964 1.00 25.00 H new ATOM 0 HG23 VAL A 45 16.744 6.556 13.753 1.00 25.00 H new ATOM 704 N GLU A 46 16.007 2.209 14.354 1.00 25.00 N ATOM 705 CA GLU A 46 16.598 1.144 13.548 1.00 25.00 C ATOM 706 C GLU A 46 15.566 0.534 12.616 1.00 25.00 C ATOM 707 O GLU A 46 15.906 -0.038 11.593 1.00 25.00 O ATOM 708 CB GLU A 46 17.201 0.075 14.442 1.00 25.00 C ATOM 709 CG GLU A 46 18.243 0.637 15.392 1.00 25.00 C ATOM 710 CD GLU A 46 19.245 -0.412 15.828 1.00 25.00 C ATOM 711 OE1 GLU A 46 18.846 -1.366 16.523 1.00 25.00 O ATOM 712 OE2 GLU A 46 20.452 -0.240 15.541 1.00 25.00 O ATOM 0 H GLU A 46 15.784 1.951 15.315 1.00 25.00 H new ATOM 0 HA GLU A 46 17.391 1.579 12.940 1.00 25.00 H new ATOM 0 HB2 GLU A 46 16.408 -0.403 15.018 1.00 25.00 H new ATOM 0 HB3 GLU A 46 17.656 -0.698 13.823 1.00 25.00 H new ATOM 0 HG2 GLU A 46 18.769 1.459 14.907 1.00 25.00 H new ATOM 0 HG3 GLU A 46 17.746 1.050 16.270 1.00 25.00 H new ATOM 719 N GLU A 47 14.298 0.692 12.962 1.00 25.00 N ATOM 720 CA GLU A 47 13.217 0.158 12.141 1.00 25.00 C ATOM 721 C GLU A 47 12.847 1.121 11.015 1.00 25.00 C ATOM 722 O GLU A 47 12.412 0.692 9.966 1.00 25.00 O ATOM 723 CB GLU A 47 11.978 -0.106 13.007 1.00 25.00 C ATOM 724 CG GLU A 47 12.235 -1.046 14.180 1.00 25.00 C ATOM 725 CD GLU A 47 12.725 -2.397 13.743 1.00 25.00 C ATOM 726 OE1 GLU A 47 12.069 -3.161 13.103 1.00 25.00 O ATOM 727 OE2 GLU A 47 13.925 -2.667 14.154 1.00 25.00 O ATOM 0 H GLU A 47 13.991 1.183 13.801 1.00 25.00 H new ATOM 0 HA GLU A 47 13.566 -0.775 11.700 1.00 25.00 H new ATOM 0 HB2 GLU A 47 11.605 0.844 13.390 1.00 25.00 H new ATOM 0 HB3 GLU A 47 11.192 -0.528 12.381 1.00 25.00 H new ATOM 0 HG2 GLU A 47 12.970 -0.596 14.847 1.00 25.00 H new ATOM 0 HG3 GLU A 47 11.315 -1.165 14.753 1.00 25.00 H new ATOM 734 N CYS A 48 12.993 2.418 11.262 1.00 25.00 N ATOM 735 CA CYS A 48 12.551 3.442 10.306 1.00 25.00 C ATOM 736 C CYS A 48 13.650 4.261 9.623 1.00 25.00 C ATOM 737 O CYS A 48 13.396 4.862 8.594 1.00 25.00 O ATOM 738 CB CYS A 48 11.613 4.416 11.012 1.00 25.00 C ATOM 739 SG CYS A 48 10.089 3.644 11.639 1.00 25.00 S ATOM 0 H CYS A 48 13.413 2.791 12.113 1.00 25.00 H new ATOM 0 HA CYS A 48 12.070 2.874 9.510 1.00 25.00 H new ATOM 0 HB2 CYS A 48 12.144 4.879 11.844 1.00 25.00 H new ATOM 0 HB3 CYS A 48 11.346 5.215 10.320 1.00 25.00 H new ATOM 744 N CYS A 49 14.845 4.325 10.192 1.00 25.00 N ATOM 745 CA CYS A 49 15.932 5.111 9.588 1.00 25.00 C ATOM 746 C CYS A 49 16.937 4.177 8.925 1.00 25.00 C ATOM 747 O CYS A 49 17.399 4.426 7.819 1.00 25.00 O ATOM 748 CB CYS A 49 16.620 5.981 10.650 1.00 25.00 C ATOM 749 SG CYS A 49 17.738 7.249 9.966 1.00 25.00 S ATOM 0 H CYS A 49 15.093 3.851 11.061 1.00 25.00 H new ATOM 0 HA CYS A 49 15.513 5.772 8.829 1.00 25.00 H new ATOM 0 HB2 CYS A 49 15.856 6.473 11.252 1.00 25.00 H new ATOM 0 HB3 CYS A 49 17.187 5.336 11.321 1.00 25.00 H new ATOM 754 N PHE A 50 17.251 3.082 9.603 1.00 25.00 N ATOM 755 CA PHE A 50 18.185 2.090 9.063 1.00 25.00 C ATOM 756 C PHE A 50 17.445 1.049 8.216 1.00 25.00 C ATOM 757 O PHE A 50 18.060 0.286 7.468 1.00 25.00 O ATOM 758 CB PHE A 50 18.940 1.398 10.203 1.00 25.00 C ATOM 759 CG PHE A 50 19.866 2.318 10.963 1.00 25.00 C ATOM 760 CD1 PHE A 50 19.380 3.130 12.007 1.00 25.00 C ATOM 761 CD2 PHE A 50 21.234 2.378 10.641 1.00 25.00 C ATOM 762 CE1 PHE A 50 20.241 3.980 12.730 1.00 25.00 C ATOM 763 CE2 PHE A 50 22.110 3.236 11.360 1.00 25.00 C ATOM 764 CZ PHE A 50 21.602 4.037 12.407 1.00 25.00 C ATOM 0 H PHE A 50 16.877 2.854 10.524 1.00 25.00 H new ATOM 0 HA PHE A 50 18.901 2.608 8.425 1.00 25.00 H new ATOM 0 HB2 PHE A 50 18.218 0.969 10.898 1.00 25.00 H new ATOM 0 HB3 PHE A 50 19.519 0.570 9.794 1.00 25.00 H new ATOM 0 HD1 PHE A 50 18.330 3.101 12.257 1.00 25.00 H new ATOM 0 HD2 PHE A 50 21.622 1.766 9.840 1.00 25.00 H new ATOM 0 HE1 PHE A 50 19.851 4.587 13.533 1.00 25.00 H new ATOM 0 HE2 PHE A 50 23.159 3.275 11.107 1.00 25.00 H new ATOM 0 HZ PHE A 50 22.262 4.692 12.957 1.00 25.00 H new ATOM 774 N ARG A 51 16.123 1.035 8.333 1.00 25.00 N ATOM 775 CA ARG A 51 15.252 0.149 7.548 1.00 25.00 C ATOM 776 C ARG A 51 14.005 0.942 7.238 1.00 25.00 C ATOM 777 O ARG A 51 13.867 2.057 7.706 1.00 25.00 O ATOM 778 CB ARG A 51 14.865 -1.116 8.336 1.00 25.00 C ATOM 779 CG ARG A 51 16.001 -2.095 8.565 1.00 25.00 C ATOM 780 CD ARG A 51 16.496 -2.694 7.248 1.00 25.00 C ATOM 781 NE ARG A 51 17.573 -3.675 7.460 1.00 25.00 N ATOM 782 CZ ARG A 51 18.278 -4.255 6.495 1.00 25.00 C ATOM 783 NH1 ARG A 51 18.069 -4.001 5.226 1.00 25.00 N ATOM 784 NH2 ARG A 51 19.211 -5.108 6.813 1.00 25.00 N ATOM 0 H ARG A 51 15.615 1.640 8.978 1.00 25.00 H new ATOM 0 HA ARG A 51 15.771 -0.179 6.648 1.00 25.00 H new ATOM 0 HB2 ARG A 51 14.462 -0.816 9.303 1.00 25.00 H new ATOM 0 HB3 ARG A 51 14.064 -1.628 7.803 1.00 25.00 H new ATOM 0 HG2 ARG A 51 16.824 -1.588 9.068 1.00 25.00 H new ATOM 0 HG3 ARG A 51 15.667 -2.894 9.227 1.00 25.00 H new ATOM 0 HD2 ARG A 51 15.664 -3.174 6.733 1.00 25.00 H new ATOM 0 HD3 ARG A 51 16.855 -1.896 6.599 1.00 25.00 H new ATOM 0 HE ARG A 51 17.795 -3.929 8.423 1.00 25.00 H new ATOM 0 HH11 ARG A 51 17.344 -3.338 4.951 1.00 25.00 H new ATOM 0 HH12 ARG A 51 18.631 -4.466 4.513 1.00 25.00 H new ATOM 0 HH21 ARG A 51 19.393 -5.323 7.793 1.00 25.00 H new ATOM 0 HH22 ARG A 51 19.759 -5.560 6.081 1.00 25.00 H new ATOM 798 N SER A 52 13.109 0.356 6.465 1.00 25.00 N ATOM 799 CA SER A 52 11.841 0.975 6.138 1.00 25.00 C ATOM 800 C SER A 52 10.773 0.536 7.135 1.00 25.00 C ATOM 801 O SER A 52 10.806 -0.599 7.613 1.00 25.00 O ATOM 802 CB SER A 52 11.422 0.530 4.745 1.00 25.00 C ATOM 803 OG SER A 52 12.402 0.887 3.782 1.00 25.00 O ATOM 0 H SER A 52 13.242 -0.565 6.046 1.00 25.00 H new ATOM 0 HA SER A 52 11.949 2.059 6.177 1.00 25.00 H new ATOM 0 HB2 SER A 52 11.272 -0.550 4.734 1.00 25.00 H new ATOM 0 HB3 SER A 52 10.467 0.987 4.485 1.00 25.00 H new ATOM 0 HG SER A 52 12.112 0.589 2.894 1.00 25.00 H new ATOM 809 N CYS A 53 9.810 1.405 7.404 1.00 25.00 N ATOM 810 CA CYS A 53 8.704 1.092 8.303 1.00 25.00 C ATOM 811 C CYS A 53 7.446 1.809 7.832 1.00 25.00 C ATOM 812 O CYS A 53 7.513 2.730 7.024 1.00 25.00 O ATOM 813 CB CYS A 53 9.038 1.535 9.729 1.00 25.00 C ATOM 814 SG CYS A 53 8.984 3.339 9.967 1.00 25.00 S ATOM 0 H CYS A 53 9.771 2.344 7.008 1.00 25.00 H new ATOM 0 HA CYS A 53 8.538 0.015 8.296 1.00 25.00 H new ATOM 0 HB2 CYS A 53 8.337 1.065 10.419 1.00 25.00 H new ATOM 0 HB3 CYS A 53 10.033 1.173 9.989 1.00 25.00 H new ATOM 819 N ASP A 54 6.310 1.399 8.370 1.00 25.00 N ATOM 820 CA ASP A 54 5.022 2.014 8.053 1.00 25.00 C ATOM 821 C ASP A 54 4.380 2.426 9.370 1.00 25.00 C ATOM 822 O ASP A 54 4.826 1.985 10.433 1.00 25.00 O ATOM 823 CB ASP A 54 4.126 1.016 7.316 1.00 25.00 C ATOM 824 CG ASP A 54 4.659 0.667 5.937 1.00 25.00 C ATOM 825 OD1 ASP A 54 4.873 1.588 5.116 1.00 25.00 O ATOM 826 OD2 ASP A 54 4.869 -0.531 5.676 1.00 25.00 O ATOM 0 H ASP A 54 6.249 0.631 9.039 1.00 25.00 H new ATOM 0 HA ASP A 54 5.158 2.880 7.405 1.00 25.00 H new ATOM 0 HB2 ASP A 54 4.036 0.106 7.909 1.00 25.00 H new ATOM 0 HB3 ASP A 54 3.124 1.434 7.220 1.00 25.00 H new ATOM 831 N LEU A 55 3.330 3.240 9.305 1.00 25.00 N ATOM 832 CA LEU A 55 2.643 3.755 10.505 1.00 25.00 C ATOM 833 C LEU A 55 2.228 2.660 11.476 1.00 25.00 C ATOM 834 O LEU A 55 2.194 2.864 12.678 1.00 25.00 O ATOM 835 CB LEU A 55 1.408 4.583 10.084 1.00 25.00 C ATOM 836 CG LEU A 55 -0.038 4.134 10.399 1.00 25.00 C ATOM 837 CD1 LEU A 55 -0.951 5.358 10.434 1.00 25.00 C ATOM 838 CD2 LEU A 55 -0.564 3.158 9.332 1.00 25.00 C ATOM 0 H LEU A 55 2.926 3.565 8.427 1.00 25.00 H new ATOM 0 HA LEU A 55 3.359 4.384 11.033 1.00 25.00 H new ATOM 0 HB2 LEU A 55 1.531 5.572 10.524 1.00 25.00 H new ATOM 0 HB3 LEU A 55 1.468 4.706 9.003 1.00 25.00 H new ATOM 0 HG LEU A 55 -0.033 3.629 11.365 1.00 25.00 H new ATOM 0 HD11 LEU A 55 -1.971 5.045 10.656 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.607 6.047 11.206 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.927 5.857 9.465 1.00 25.00 H new ATOM 0 HD21 LEU A 55 -1.583 2.861 9.581 1.00 25.00 H new ATOM 0 HD22 LEU A 55 -0.557 3.646 8.357 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.074 2.275 9.300 1.00 25.00 H new ATOM 850 N ALA A 56 1.903 1.501 10.936 1.00 25.00 N ATOM 851 CA ALA A 56 1.403 0.400 11.728 1.00 25.00 C ATOM 852 C ALA A 56 2.514 -0.212 12.595 1.00 25.00 C ATOM 853 O ALA A 56 2.314 -0.492 13.771 1.00 25.00 O ATOM 854 CB ALA A 56 0.806 -0.617 10.785 1.00 25.00 C ATOM 0 H ALA A 56 1.979 1.299 9.939 1.00 25.00 H new ATOM 0 HA ALA A 56 0.637 0.753 12.419 1.00 25.00 H new ATOM 0 HB1 ALA A 56 0.420 -1.461 11.357 1.00 25.00 H new ATOM 0 HB2 ALA A 56 -0.007 -0.158 10.222 1.00 25.00 H new ATOM 0 HB3 ALA A 56 1.573 -0.967 10.094 1.00 25.00 H new ATOM 860 N LEU A 57 3.699 -0.360 12.017 1.00 25.00 N ATOM 861 CA LEU A 57 4.864 -0.853 12.754 1.00 25.00 C ATOM 862 C LEU A 57 5.243 0.203 13.783 1.00 25.00 C ATOM 863 O LEU A 57 5.548 -0.088 14.934 1.00 25.00 O ATOM 864 CB LEU A 57 6.024 -1.087 11.766 1.00 25.00 C ATOM 865 CG LEU A 57 7.326 -1.732 12.285 1.00 25.00 C ATOM 866 CD1 LEU A 57 8.094 -2.302 11.091 1.00 25.00 C ATOM 867 CD2 LEU A 57 8.243 -0.764 13.043 1.00 25.00 C ATOM 0 H LEU A 57 3.883 -0.146 11.037 1.00 25.00 H new ATOM 0 HA LEU A 57 4.643 -1.795 13.256 1.00 25.00 H new ATOM 0 HB2 LEU A 57 5.647 -1.712 10.956 1.00 25.00 H new ATOM 0 HB3 LEU A 57 6.285 -0.123 11.330 1.00 25.00 H new ATOM 0 HG LEU A 57 7.034 -2.505 12.996 1.00 25.00 H new ATOM 0 HD11 LEU A 57 9.019 -2.763 11.439 1.00 25.00 H new ATOM 0 HD12 LEU A 57 7.482 -3.051 10.589 1.00 25.00 H new ATOM 0 HD13 LEU A 57 8.329 -1.499 10.393 1.00 25.00 H new ATOM 0 HD21 LEU A 57 9.136 -1.293 13.375 1.00 25.00 H new ATOM 0 HD22 LEU A 57 8.531 0.056 12.384 1.00 25.00 H new ATOM 0 HD23 LEU A 57 7.715 -0.365 13.909 1.00 25.00 H new ATOM 879 N LEU A 58 5.213 1.444 13.340 1.00 25.00 N ATOM 880 CA LEU A 58 5.598 2.578 14.137 1.00 25.00 C ATOM 881 C LEU A 58 4.723 2.787 15.379 1.00 25.00 C ATOM 882 O LEU A 58 5.220 3.132 16.449 1.00 25.00 O ATOM 883 CB LEU A 58 5.548 3.766 13.187 1.00 25.00 C ATOM 884 CG LEU A 58 6.145 5.070 13.654 1.00 25.00 C ATOM 885 CD1 LEU A 58 6.811 5.773 12.491 1.00 25.00 C ATOM 886 CD2 LEU A 58 5.076 5.942 14.236 1.00 25.00 C ATOM 0 H LEU A 58 4.914 1.691 12.397 1.00 25.00 H new ATOM 0 HA LEU A 58 6.593 2.431 14.558 1.00 25.00 H new ATOM 0 HB2 LEU A 58 6.053 3.478 12.265 1.00 25.00 H new ATOM 0 HB3 LEU A 58 4.503 3.948 12.934 1.00 25.00 H new ATOM 0 HG LEU A 58 6.891 4.867 14.422 1.00 25.00 H new ATOM 0 HD11 LEU A 58 7.241 6.715 12.833 1.00 25.00 H new ATOM 0 HD12 LEU A 58 7.600 5.139 12.087 1.00 25.00 H new ATOM 0 HD13 LEU A 58 6.072 5.972 11.715 1.00 25.00 H new ATOM 0 HD21 LEU A 58 5.515 6.882 14.571 1.00 25.00 H new ATOM 0 HD22 LEU A 58 4.319 6.145 13.478 1.00 25.00 H new ATOM 0 HD23 LEU A 58 4.614 5.435 15.083 1.00 25.00 H new ATOM 898 N GLU A 59 3.435 2.518 15.246 1.00 25.00 N ATOM 899 CA GLU A 59 2.469 2.663 16.340 1.00 25.00 C ATOM 900 C GLU A 59 2.727 1.731 17.530 1.00 25.00 C ATOM 901 O GLU A 59 2.328 2.018 18.655 1.00 25.00 O ATOM 902 CB GLU A 59 1.067 2.426 15.769 1.00 25.00 C ATOM 903 CG GLU A 59 -0.062 2.640 16.759 1.00 25.00 C ATOM 904 CD GLU A 59 -1.409 2.689 16.097 1.00 25.00 C ATOM 905 OE1 GLU A 59 -2.277 1.887 16.288 1.00 25.00 O ATOM 906 OE2 GLU A 59 -1.551 3.676 15.283 1.00 25.00 O ATOM 0 H GLU A 59 3.020 2.190 14.374 1.00 25.00 H new ATOM 0 HA GLU A 59 2.572 3.671 16.741 1.00 25.00 H new ATOM 0 HB2 GLU A 59 0.918 3.091 14.919 1.00 25.00 H new ATOM 0 HB3 GLU A 59 1.011 1.406 15.389 1.00 25.00 H new ATOM 0 HG2 GLU A 59 -0.052 1.836 17.495 1.00 25.00 H new ATOM 0 HG3 GLU A 59 0.106 3.571 17.301 1.00 25.00 H new ATOM 914 N THR A 60 3.439 0.642 17.308 1.00 25.00 N ATOM 915 CA THR A 60 3.742 -0.303 18.387 1.00 25.00 C ATOM 916 C THR A 60 4.590 0.332 19.492 1.00 25.00 C ATOM 917 O THR A 60 4.650 -0.168 20.611 1.00 25.00 O ATOM 918 CB THR A 60 4.447 -1.558 17.851 1.00 25.00 C ATOM 919 OG1 THR A 60 5.741 -1.213 17.345 1.00 25.00 O ATOM 920 CG2 THR A 60 3.630 -2.178 16.723 1.00 25.00 C ATOM 0 H THR A 60 3.820 0.383 16.398 1.00 25.00 H new ATOM 0 HA THR A 60 2.784 -0.591 18.819 1.00 25.00 H new ATOM 0 HB THR A 60 4.547 -2.273 18.668 1.00 25.00 H new ATOM 0 HG1 THR A 60 5.642 -0.611 16.578 1.00 25.00 H new ATOM 0 HG21 THR A 60 4.139 -3.067 16.351 1.00 25.00 H new ATOM 0 HG22 THR A 60 2.644 -2.455 17.097 1.00 25.00 H new ATOM 0 HG23 THR A 60 3.521 -1.456 15.913 1.00 25.00 H new ATOM 928 N TYR A 61 5.274 1.417 19.158 1.00 25.00 N ATOM 929 CA TYR A 61 6.155 2.104 20.095 1.00 25.00 C ATOM 930 C TYR A 61 5.468 3.166 20.981 1.00 25.00 C ATOM 931 O TYR A 61 6.156 3.890 21.691 1.00 25.00 O ATOM 932 CB TYR A 61 7.293 2.755 19.302 1.00 25.00 C ATOM 933 CG TYR A 61 8.429 1.801 18.994 1.00 25.00 C ATOM 934 CD1 TYR A 61 9.558 1.738 19.836 1.00 25.00 C ATOM 935 CD2 TYR A 61 8.390 0.958 17.860 1.00 25.00 C ATOM 936 CE1 TYR A 61 10.633 0.860 19.553 1.00 25.00 C ATOM 937 CE2 TYR A 61 9.466 0.078 17.571 1.00 25.00 C ATOM 938 CZ TYR A 61 10.571 0.033 18.425 1.00 25.00 C ATOM 939 OH TYR A 61 11.605 -0.826 18.152 1.00 25.00 O ATOM 0 H TYR A 61 5.235 1.846 18.233 1.00 25.00 H new ATOM 0 HA TYR A 61 6.517 1.345 20.789 1.00 25.00 H new ATOM 0 HB2 TYR A 61 6.896 3.150 18.367 1.00 25.00 H new ATOM 0 HB3 TYR A 61 7.682 3.602 19.867 1.00 25.00 H new ATOM 0 HD1 TYR A 61 9.604 2.369 20.711 1.00 25.00 H new ATOM 0 HD2 TYR A 61 7.531 0.984 17.206 1.00 25.00 H new ATOM 0 HE1 TYR A 61 11.495 0.829 20.203 1.00 25.00 H new ATOM 0 HE2 TYR A 61 9.431 -0.553 16.696 1.00 25.00 H new ATOM 0 HH TYR A 61 11.405 -1.329 17.335 1.00 25.00 H new ATOM 949 N CYS A 62 4.146 3.273 20.969 1.00 25.00 N ATOM 950 CA CYS A 62 3.470 4.273 21.818 1.00 25.00 C ATOM 951 C CYS A 62 3.728 4.054 23.322 1.00 25.00 C ATOM 952 O CYS A 62 3.918 2.929 23.774 1.00 25.00 O ATOM 953 CB CYS A 62 1.963 4.280 21.552 1.00 25.00 C ATOM 954 SG CYS A 62 1.522 4.759 19.848 1.00 25.00 S ATOM 0 H CYS A 62 3.524 2.700 20.399 1.00 25.00 H new ATOM 0 HA CYS A 62 3.896 5.240 21.549 1.00 25.00 H new ATOM 0 HB2 CYS A 62 1.562 3.287 21.756 1.00 25.00 H new ATOM 0 HB3 CYS A 62 1.483 4.967 22.249 1.00 25.00 H new ATOM 959 N ALA A 63 3.769 5.146 24.081 1.00 25.00 N ATOM 960 CA ALA A 63 4.101 5.088 25.510 1.00 25.00 C ATOM 961 C ALA A 63 2.876 4.867 26.381 1.00 25.00 C ATOM 962 O ALA A 63 2.852 4.019 27.268 1.00 25.00 O ATOM 963 CB ALA A 63 4.779 6.408 25.936 1.00 25.00 C ATOM 0 H ALA A 63 3.577 6.086 23.733 1.00 25.00 H new ATOM 0 HA ALA A 63 4.772 4.241 25.650 1.00 25.00 H new ATOM 0 HB1 ALA A 63 5.025 6.365 26.997 1.00 25.00 H new ATOM 0 HB2 ALA A 63 5.691 6.552 25.357 1.00 25.00 H new ATOM 0 HB3 ALA A 63 4.100 7.241 25.755 1.00 25.00 H new ATOM 969 N THR A 64 1.901 5.728 26.172 1.00 25.00 N ATOM 970 CA THR A 64 0.684 5.749 26.973 1.00 25.00 C ATOM 971 C THR A 64 -0.480 6.231 26.082 1.00 25.00 C ATOM 972 O THR A 64 -0.259 6.981 25.126 1.00 25.00 O ATOM 973 CB THR A 64 0.895 6.664 28.233 1.00 25.00 C ATOM 974 OG1 THR A 64 0.029 6.263 29.295 1.00 25.00 O ATOM 975 CG2 THR A 64 0.638 8.117 27.931 1.00 25.00 C ATOM 0 H THR A 64 1.926 6.438 25.440 1.00 25.00 H new ATOM 0 HA THR A 64 0.440 4.752 27.341 1.00 25.00 H new ATOM 0 HB THR A 64 1.938 6.548 28.529 1.00 25.00 H new ATOM 0 HG1 THR A 64 0.107 5.296 29.433 1.00 25.00 H new ATOM 0 HG21 THR A 64 0.797 8.709 28.832 1.00 25.00 H new ATOM 0 HG22 THR A 64 1.321 8.453 27.151 1.00 25.00 H new ATOM 0 HG23 THR A 64 -0.390 8.242 27.591 1.00 25.00 H new ATOM 983 N PRO A 65 -1.717 5.764 26.342 1.00 25.00 N ATOM 984 CA PRO A 65 -2.887 6.141 25.538 1.00 25.00 C ATOM 985 C PRO A 65 -3.425 7.549 25.811 1.00 25.00 C ATOM 986 O PRO A 65 -3.050 8.213 26.781 1.00 25.00 O ATOM 987 CB PRO A 65 -3.924 5.096 25.957 1.00 25.00 C ATOM 988 CG PRO A 65 -3.600 4.833 27.374 1.00 25.00 C ATOM 989 CD PRO A 65 -2.093 4.813 27.402 1.00 25.00 C ATOM 0 HA PRO A 65 -2.640 6.162 24.476 1.00 25.00 H new ATOM 0 HB2 PRO A 65 -4.941 5.471 25.841 1.00 25.00 H new ATOM 0 HB3 PRO A 65 -3.848 4.191 25.354 1.00 25.00 H new ATOM 0 HG2 PRO A 65 -4.002 5.608 28.026 1.00 25.00 H new ATOM 0 HG3 PRO A 65 -4.019 3.885 27.711 1.00 25.00 H new ATOM 0 HD2 PRO A 65 -1.705 5.121 28.373 1.00 25.00 H new ATOM 0 HD3 PRO A 65 -1.701 3.815 27.204 1.00 25.00 H new ATOM 997 N ALA A 66 -4.340 7.988 24.957 1.00 25.00 N ATOM 998 CA ALA A 66 -4.992 9.283 25.116 1.00 25.00 C ATOM 999 C ALA A 66 -6.087 9.226 26.182 1.00 25.00 C ATOM 1000 O ALA A 66 -6.781 8.227 26.324 1.00 25.00 O ATOM 1001 CB ALA A 66 -5.583 9.732 23.769 1.00 25.00 C ATOM 0 H ALA A 66 -4.650 7.462 24.140 1.00 25.00 H new ATOM 0 HA ALA A 66 -4.246 10.006 25.445 1.00 25.00 H new ATOM 0 HB1 ALA A 66 -6.070 10.700 23.890 1.00 25.00 H new ATOM 0 HB2 ALA A 66 -4.785 9.817 23.032 1.00 25.00 H new ATOM 0 HB3 ALA A 66 -6.314 8.998 23.430 1.00 25.00 H new ATOM 1007 N LYS A 67 -6.265 10.341 26.880 1.00 25.00 N ATOM 1008 CA LYS A 67 -7.319 10.504 27.869 1.00 25.00 C ATOM 1009 C LYS A 67 -8.117 11.764 27.527 1.00 25.00 C ATOM 1010 O LYS A 67 -8.397 12.587 28.380 1.00 25.00 O ATOM 1011 CB LYS A 67 -6.709 10.584 29.275 1.00 25.00 C ATOM 1012 CG LYS A 67 -5.689 11.732 29.516 1.00 25.00 C ATOM 1013 CD LYS A 67 -5.846 12.350 30.929 1.00 25.00 C ATOM 1014 CE LYS A 67 -7.137 13.201 31.043 1.00 25.00 C ATOM 1015 NZ LYS A 67 -7.359 13.817 32.388 1.00 25.00 N ATOM 0 H LYS A 67 -5.674 11.165 26.773 1.00 25.00 H new ATOM 0 HA LYS A 67 -7.993 9.647 27.855 1.00 25.00 H new ATOM 0 HB2 LYS A 67 -7.520 10.690 29.995 1.00 25.00 H new ATOM 0 HB3 LYS A 67 -6.215 9.636 29.489 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -4.675 11.349 29.397 1.00 25.00 H new ATOM 0 HG3 LYS A 67 -5.828 12.507 28.762 1.00 25.00 H new ATOM 0 HD2 LYS A 67 -5.868 11.554 31.674 1.00 25.00 H new ATOM 0 HD3 LYS A 67 -4.979 12.972 31.152 1.00 25.00 H new ATOM 0 HE2 LYS A 67 -7.101 13.994 30.296 1.00 25.00 H new ATOM 0 HE3 LYS A 67 -7.994 12.572 30.800 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 -8.242 14.367 32.377 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 -7.427 13.068 33.106 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 -6.563 14.445 32.618 1.00 25.00 H new ATOM 1029 N SER A 68 -8.409 11.937 26.251 1.00 25.00 N ATOM 1030 CA SER A 68 -9.085 13.142 25.763 1.00 25.00 C ATOM 1031 C SER A 68 -10.591 13.127 26.048 1.00 25.00 C ATOM 1032 O SER A 68 -11.404 13.054 25.131 1.00 25.00 O ATOM 1033 CB SER A 68 -8.842 13.286 24.263 1.00 25.00 C ATOM 1034 OG SER A 68 -7.448 13.230 23.985 1.00 25.00 O ATOM 0 H SER A 68 -8.190 11.257 25.523 1.00 25.00 H new ATOM 0 HA SER A 68 -8.667 13.994 26.299 1.00 25.00 H new ATOM 0 HB2 SER A 68 -9.360 12.492 23.725 1.00 25.00 H new ATOM 0 HB3 SER A 68 -9.253 14.231 23.909 1.00 25.00 H new ATOM 0 HG SER A 68 -7.303 13.322 23.020 1.00 25.00 H new ATOM 1040 N GLU A 69 -10.936 13.180 27.326 1.00 25.00 N ATOM 1041 CA GLU A 69 -12.315 13.182 27.796 1.00 25.00 C ATOM 1042 C GLU A 69 -12.302 13.927 29.126 1.00 25.00 C ATOM 1043 O GLU A 69 -11.226 13.896 29.777 1.00 25.00 O ATOM 1044 CB GLU A 69 -12.803 11.741 27.990 1.00 25.00 C ATOM 1045 CG GLU A 69 -14.290 11.627 28.304 1.00 25.00 C ATOM 1046 CD GLU A 69 -14.731 10.204 28.503 1.00 25.00 C ATOM 1047 OE1 GLU A 69 -13.988 9.261 28.525 1.00 25.00 O ATOM 1048 OE2 GLU A 69 -16.004 10.073 28.642 1.00 25.00 O ATOM 1049 OXT GLU A 69 -13.317 14.551 29.487 1.00 25.00 O ATOM 0 H GLU A 69 -10.252 13.224 28.081 1.00 25.00 H new ATOM 0 HA GLU A 69 -12.987 13.659 27.083 1.00 25.00 H new ATOM 0 HB2 GLU A 69 -12.588 11.171 27.086 1.00 25.00 H new ATOM 0 HB3 GLU A 69 -12.235 11.282 28.799 1.00 25.00 H new ATOM 0 HG2 GLU A 69 -14.513 12.202 29.203 1.00 25.00 H new ATOM 0 HG3 GLU A 69 -14.864 12.071 27.491 1.00 25.00 H new TER 1056 GLU A 69