USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 261 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 Single : A 4 ASN : amide:sc= -0.764 X(o=-0.76,f=-0.44) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 67:sc= 0.931 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00277 X(o=-0.0028,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -116:sc= -0.111 (180deg=-0.729) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 3 2.359 5.291 3.175 1.00 0.00 N ATOM 40 CA ILE A 3 2.993 4.685 4.383 1.00 0.00 C ATOM 41 C ILE A 3 4.442 4.299 4.081 1.00 0.00 C ATOM 42 O ILE A 3 4.849 4.214 2.939 1.00 0.00 O ATOM 43 CB ILE A 3 2.175 3.430 4.708 1.00 0.00 C ATOM 44 CG1 ILE A 3 0.698 3.655 4.369 1.00 0.00 C ATOM 45 CG2 ILE A 3 2.306 3.116 6.199 1.00 0.00 C ATOM 46 CD1 ILE A 3 -0.085 2.372 4.650 1.00 0.00 C ATOM 0 HA ILE A 3 3.005 5.385 5.219 1.00 0.00 H new ATOM 0 HB ILE A 3 2.553 2.597 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.298 4.477 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.592 3.938 3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.726 2.224 6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.354 2.943 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.932 3.957 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.137 2.528 4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.311 1.562 4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.012 2.110 5.704 1.00 0.00 H new ATOM 58 N ASN A 4 5.217 4.057 5.100 1.00 0.00 N ATOM 59 CA ASN A 4 6.638 3.669 4.881 1.00 0.00 C ATOM 60 C ASN A 4 6.883 2.256 5.412 1.00 0.00 C ATOM 61 O ASN A 4 7.845 2.001 6.111 1.00 0.00 O ATOM 62 CB ASN A 4 7.456 4.692 5.674 1.00 0.00 C ATOM 63 CG ASN A 4 7.042 4.649 7.146 1.00 0.00 C ATOM 64 OD1 ASN A 4 7.601 3.903 7.925 1.00 0.00 O ATOM 65 ND2 ASN A 4 6.079 5.426 7.563 1.00 0.00 N ATOM 0 H ASN A 4 4.928 4.111 6.077 1.00 0.00 H new ATOM 0 HA ASN A 4 6.909 3.664 3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.520 4.475 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.297 5.692 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.796 5.407 8.543 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.610 6.052 6.909 1.00 0.00 H new ATOM 72 N ALA A 5 6.021 1.333 5.085 1.00 0.00 N ATOM 73 CA ALA A 5 6.203 -0.065 5.569 1.00 0.00 C ATOM 74 C ALA A 5 7.183 -0.815 4.662 1.00 0.00 C ATOM 75 O ALA A 5 7.297 -2.023 4.722 1.00 0.00 O ATOM 76 CB ALA A 5 4.811 -0.694 5.495 1.00 0.00 C ATOM 0 H ALA A 5 5.198 1.486 4.503 1.00 0.00 H new ATOM 0 HA ALA A 5 6.613 -0.104 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.860 -1.728 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.125 -0.135 6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.454 -0.668 4.465 1.00 0.00 H new ATOM 82 N LYS A 6 7.887 -0.111 3.819 1.00 0.00 N ATOM 83 CA LYS A 6 8.855 -0.787 2.909 1.00 0.00 C ATOM 84 C LYS A 6 8.171 -1.942 2.184 1.00 0.00 C ATOM 85 O LYS A 6 8.477 -3.097 2.405 1.00 0.00 O ATOM 86 CB LYS A 6 9.956 -1.311 3.824 1.00 0.00 C ATOM 87 CG LYS A 6 11.324 -0.965 3.230 1.00 0.00 C ATOM 88 CD LYS A 6 11.494 0.554 3.189 1.00 0.00 C ATOM 89 CE LYS A 6 12.703 0.909 2.319 1.00 0.00 C ATOM 90 NZ LYS A 6 13.424 1.973 3.073 1.00 0.00 N ATOM 0 H LYS A 6 7.834 0.903 3.721 1.00 0.00 H new ATOM 0 HA LYS A 6 9.245 -0.115 2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.858 -0.872 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.862 -2.390 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.116 -1.414 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.411 -1.378 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.594 1.021 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.632 0.943 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.341 0.040 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.391 1.264 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.266 2.268 2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.795 2.790 3.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.715 1.604 4.001 1.00 0.00 H new ATOM 104 N CYS A 7 7.249 -1.640 1.319 1.00 0.00 N ATOM 105 CA CYS A 7 6.545 -2.723 0.580 1.00 0.00 C ATOM 106 C CYS A 7 7.565 -3.607 -0.143 1.00 0.00 C ATOM 107 O CYS A 7 8.752 -3.346 -0.118 1.00 0.00 O ATOM 108 CB CYS A 7 5.637 -2.007 -0.421 1.00 0.00 C ATOM 109 SG CYS A 7 6.625 -0.887 -1.443 1.00 0.00 S ATOM 0 H CYS A 7 6.951 -0.692 1.090 1.00 0.00 H new ATOM 0 HA CYS A 7 5.972 -3.373 1.242 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.127 -2.736 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.865 -1.448 0.108 1.00 0.00 H new ATOM 114 N ARG A 8 7.120 -4.656 -0.778 1.00 0.00 N ATOM 115 CA ARG A 8 8.080 -5.553 -1.486 1.00 0.00 C ATOM 116 C ARG A 8 8.050 -5.298 -2.994 1.00 0.00 C ATOM 117 O ARG A 8 9.075 -5.284 -3.646 1.00 0.00 O ATOM 118 CB ARG A 8 7.605 -6.971 -1.169 1.00 0.00 C ATOM 119 CG ARG A 8 8.432 -7.534 -0.012 1.00 0.00 C ATOM 120 CD ARG A 8 8.761 -9.002 -0.285 1.00 0.00 C ATOM 121 NE ARG A 8 9.984 -8.970 -1.136 1.00 0.00 N ATOM 122 CZ ARG A 8 11.155 -8.786 -0.590 1.00 0.00 C ATOM 123 NH1 ARG A 8 11.438 -9.348 0.553 1.00 0.00 N ATOM 124 NH2 ARG A 8 12.043 -8.039 -1.188 1.00 0.00 N ATOM 0 H ARG A 8 6.140 -4.931 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 8 9.108 -5.384 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.548 -6.962 -0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.709 -7.607 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.351 -6.960 0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.879 -7.442 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.940 -9.546 0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.938 -9.503 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 8 9.906 -9.092 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.744 -9.931 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.353 -9.204 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.821 -7.600 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.958 -7.895 -0.762 1.00 0.00 H new ATOM 138 N GLY A 9 6.891 -5.100 -3.560 1.00 0.00 N ATOM 139 CA GLY A 9 6.824 -4.851 -5.027 1.00 0.00 C ATOM 140 C GLY A 9 5.442 -4.322 -5.407 1.00 0.00 C ATOM 141 O GLY A 9 5.315 -3.418 -6.208 1.00 0.00 O ATOM 0 H GLY A 9 5.994 -5.100 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.590 -4.132 -5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.031 -5.773 -5.570 1.00 0.00 H new ATOM 145 N SER A 10 4.403 -4.878 -4.848 1.00 0.00 N ATOM 146 CA SER A 10 3.031 -4.402 -5.192 1.00 0.00 C ATOM 147 C SER A 10 1.964 -5.353 -4.627 1.00 0.00 C ATOM 148 O SER A 10 1.083 -4.922 -3.911 1.00 0.00 O ATOM 149 CB SER A 10 2.980 -4.387 -6.721 1.00 0.00 C ATOM 150 OG SER A 10 2.979 -3.041 -7.178 1.00 0.00 O ATOM 0 H SER A 10 4.443 -5.639 -4.170 1.00 0.00 H new ATOM 0 HA SER A 10 2.828 -3.419 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.837 -4.921 -7.130 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.086 -4.903 -7.072 1.00 0.00 H new ATOM 0 HG SER A 10 3.841 -2.624 -6.971 1.00 0.00 H new ATOM 156 N PRO A 11 2.065 -6.619 -4.969 1.00 0.00 N ATOM 157 CA PRO A 11 1.079 -7.617 -4.481 1.00 0.00 C ATOM 158 C PRO A 11 1.064 -7.669 -2.950 1.00 0.00 C ATOM 159 O PRO A 11 0.182 -8.250 -2.351 1.00 0.00 O ATOM 160 CB PRO A 11 1.604 -8.928 -5.073 1.00 0.00 C ATOM 161 CG PRO A 11 2.878 -8.632 -5.888 1.00 0.00 C ATOM 162 CD PRO A 11 3.151 -7.122 -5.847 1.00 0.00 C ATOM 0 HA PRO A 11 0.053 -7.392 -4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.822 -9.640 -4.277 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.846 -9.384 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.725 -9.180 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.753 -8.965 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 11 4.137 -6.900 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.108 -6.675 -6.840 1.00 0.00 H new ATOM 170 N GLU A 12 2.031 -7.069 -2.313 1.00 0.00 N ATOM 171 CA GLU A 12 2.062 -7.092 -0.823 1.00 0.00 C ATOM 172 C GLU A 12 1.447 -5.808 -0.255 1.00 0.00 C ATOM 173 O GLU A 12 1.014 -5.766 0.880 1.00 0.00 O ATOM 174 CB GLU A 12 3.545 -7.183 -0.460 1.00 0.00 C ATOM 175 CG GLU A 12 3.929 -8.648 -0.239 1.00 0.00 C ATOM 176 CD GLU A 12 4.316 -9.283 -1.576 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.216 -8.766 -2.217 1.00 0.00 O ATOM 178 OE2 GLU A 12 3.706 -10.277 -1.936 1.00 0.00 O ATOM 0 H GLU A 12 2.799 -6.565 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 12 1.489 -7.923 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.152 -6.753 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.746 -6.604 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.761 -8.715 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.094 -9.191 0.205 1.00 0.00 H new ATOM 185 N CYS A 13 1.401 -4.762 -1.034 1.00 0.00 N ATOM 186 CA CYS A 13 0.814 -3.485 -0.534 1.00 0.00 C ATOM 187 C CYS A 13 -0.714 -3.580 -0.484 1.00 0.00 C ATOM 188 O CYS A 13 -1.333 -3.247 0.506 1.00 0.00 O ATOM 189 CB CYS A 13 1.251 -2.426 -1.544 1.00 0.00 C ATOM 190 SG CYS A 13 2.373 -1.255 -0.741 1.00 0.00 S ATOM 0 H CYS A 13 1.744 -4.736 -1.994 1.00 0.00 H new ATOM 0 HA CYS A 13 1.147 -3.249 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.747 -2.899 -2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.380 -1.901 -1.937 1.00 0.00 H new ATOM 195 N LEU A 14 -1.329 -4.029 -1.546 1.00 0.00 N ATOM 196 CA LEU A 14 -2.815 -4.141 -1.554 1.00 0.00 C ATOM 197 C LEU A 14 -3.317 -4.711 -0.220 1.00 0.00 C ATOM 198 O LEU A 14 -4.172 -4.124 0.411 1.00 0.00 O ATOM 199 CB LEU A 14 -3.141 -5.087 -2.709 1.00 0.00 C ATOM 200 CG LEU A 14 -3.965 -4.345 -3.761 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.274 -4.457 -5.122 1.00 0.00 C ATOM 202 CD2 LEU A 14 -5.361 -4.966 -3.846 1.00 0.00 C ATOM 0 H LEU A 14 -0.866 -4.322 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.299 -3.172 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.221 -5.465 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.695 -5.950 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.050 -3.295 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.861 -3.928 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.279 -4.016 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.189 -5.507 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.949 -4.437 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.276 -6.016 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.854 -4.888 -2.877 1.00 0.00 H new ATOM 214 N PRO A 15 -2.773 -5.838 0.177 1.00 0.00 N ATOM 215 CA PRO A 15 -3.186 -6.465 1.454 1.00 0.00 C ATOM 216 C PRO A 15 -2.856 -5.533 2.623 1.00 0.00 C ATOM 217 O PRO A 15 -3.719 -5.148 3.389 1.00 0.00 O ATOM 218 CB PRO A 15 -2.335 -7.737 1.500 1.00 0.00 C ATOM 219 CG PRO A 15 -1.454 -7.790 0.239 1.00 0.00 C ATOM 220 CD PRO A 15 -1.732 -6.542 -0.610 1.00 0.00 C ATOM 0 HA PRO A 15 -4.254 -6.670 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.713 -7.743 2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.975 -8.618 1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.401 -7.831 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.669 -8.692 -0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.838 -5.931 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.085 -6.802 -1.608 1.00 0.00 H new ATOM 228 N LYS A 16 -1.614 -5.156 2.761 1.00 0.00 N ATOM 229 CA LYS A 16 -1.238 -4.240 3.874 1.00 0.00 C ATOM 230 C LYS A 16 -2.169 -3.026 3.870 1.00 0.00 C ATOM 231 O LYS A 16 -2.561 -2.524 4.904 1.00 0.00 O ATOM 232 CB LYS A 16 0.202 -3.819 3.576 1.00 0.00 C ATOM 233 CG LYS A 16 1.131 -5.023 3.748 1.00 0.00 C ATOM 234 CD LYS A 16 0.888 -5.666 5.113 1.00 0.00 C ATOM 235 CE LYS A 16 2.208 -6.210 5.663 1.00 0.00 C ATOM 236 NZ LYS A 16 2.761 -5.106 6.495 1.00 0.00 N ATOM 0 H LYS A 16 -0.846 -5.442 2.153 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.321 -4.711 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.276 -3.431 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.503 -3.015 4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.952 -5.749 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.171 -4.708 3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.469 -4.933 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.160 -6.472 5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.048 -7.110 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.891 -6.478 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.668 -5.403 6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.910 -4.265 5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.092 -4.878 7.258 1.00 0.00 H new ATOM 250 N CYS A 17 -2.535 -2.557 2.707 1.00 0.00 N ATOM 251 CA CYS A 17 -3.451 -1.383 2.629 1.00 0.00 C ATOM 252 C CYS A 17 -4.837 -1.777 3.144 1.00 0.00 C ATOM 253 O CYS A 17 -5.509 -1.008 3.803 1.00 0.00 O ATOM 254 CB CYS A 17 -3.509 -1.024 1.143 1.00 0.00 C ATOM 255 SG CYS A 17 -4.297 0.592 0.942 1.00 0.00 S ATOM 0 H CYS A 17 -2.239 -2.936 1.808 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.109 -0.543 3.233 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.503 -1.005 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.068 -1.783 0.596 1.00 0.00 H new ATOM 260 N LYS A 18 -5.265 -2.976 2.854 1.00 0.00 N ATOM 261 CA LYS A 18 -6.601 -3.431 3.332 1.00 0.00 C ATOM 262 C LYS A 18 -6.633 -3.424 4.862 1.00 0.00 C ATOM 263 O LYS A 18 -7.671 -3.269 5.472 1.00 0.00 O ATOM 264 CB LYS A 18 -6.744 -4.859 2.801 1.00 0.00 C ATOM 265 CG LYS A 18 -8.216 -5.158 2.506 1.00 0.00 C ATOM 266 CD LYS A 18 -8.370 -6.643 2.163 1.00 0.00 C ATOM 267 CE LYS A 18 -9.848 -6.968 1.937 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.197 -7.935 3.015 1.00 0.00 N ATOM 0 H LYS A 18 -4.745 -3.661 2.305 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.410 -2.786 2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.150 -4.981 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.359 -5.569 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.831 -4.907 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.565 -4.543 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.794 -6.881 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.972 -7.256 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.464 -6.070 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.011 -7.401 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.197 -8.206 2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.600 -8.782 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.038 -7.493 3.943 1.00 0.00 H new ATOM 282 N GLU A 19 -5.498 -3.594 5.486 1.00 0.00 N ATOM 283 CA GLU A 19 -5.462 -3.598 6.978 1.00 0.00 C ATOM 284 C GLU A 19 -5.120 -2.198 7.501 1.00 0.00 C ATOM 285 O GLU A 19 -5.457 -1.841 8.612 1.00 0.00 O ATOM 286 CB GLU A 19 -4.361 -4.593 7.355 1.00 0.00 C ATOM 287 CG GLU A 19 -4.450 -5.831 6.457 1.00 0.00 C ATOM 288 CD GLU A 19 -3.497 -6.910 6.977 1.00 0.00 C ATOM 289 OE1 GLU A 19 -3.914 -7.683 7.824 1.00 0.00 O ATOM 290 OE2 GLU A 19 -2.367 -6.945 6.518 1.00 0.00 O ATOM 0 H GLU A 19 -4.596 -3.730 5.029 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.423 -3.877 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.383 -4.124 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.463 -4.883 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.472 -6.210 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.193 -5.568 5.431 1.00 0.00 H new ATOM 297 N ALA A 20 -4.451 -1.407 6.708 1.00 0.00 N ATOM 298 CA ALA A 20 -4.085 -0.033 7.159 1.00 0.00 C ATOM 299 C ALA A 20 -5.320 0.871 7.170 1.00 0.00 C ATOM 300 O ALA A 20 -5.573 1.580 8.124 1.00 0.00 O ATOM 301 CB ALA A 20 -3.068 0.463 6.129 1.00 0.00 C ATOM 0 H ALA A 20 -4.142 -1.652 5.767 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.680 -0.026 8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.748 1.472 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.204 -0.202 6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.527 0.473 5.140 1.00 0.00 H new ATOM 307 N ILE A 21 -6.089 0.857 6.116 1.00 0.00 N ATOM 308 CA ILE A 21 -7.305 1.721 6.070 1.00 0.00 C ATOM 309 C ILE A 21 -8.570 0.860 6.009 1.00 0.00 C ATOM 310 O ILE A 21 -9.623 1.258 6.465 1.00 0.00 O ATOM 311 CB ILE A 21 -7.153 2.549 4.795 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.302 1.638 3.575 1.00 0.00 C ATOM 313 CG2 ILE A 21 -5.771 3.203 4.776 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.990 2.432 2.306 1.00 0.00 C ATOM 0 H ILE A 21 -5.929 0.286 5.286 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.398 2.350 6.955 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.922 3.321 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.627 0.786 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.315 1.239 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.661 3.794 3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.663 3.851 5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.002 2.430 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.096 1.784 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.683 3.269 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.969 2.810 2.355 1.00 0.00 H new ATOM 326 N GLY A 22 -8.478 -0.315 5.449 1.00 0.00 N ATOM 327 CA GLY A 22 -9.680 -1.193 5.365 1.00 0.00 C ATOM 328 C GLY A 22 -10.143 -1.293 3.911 1.00 0.00 C ATOM 329 O GLY A 22 -11.251 -1.705 3.629 1.00 0.00 O ATOM 0 H GLY A 22 -7.625 -0.704 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.446 -2.185 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.481 -0.790 5.985 1.00 0.00 H new ATOM 333 N LYS A 23 -9.306 -0.921 2.982 1.00 0.00 N ATOM 334 CA LYS A 23 -9.706 -0.996 1.548 1.00 0.00 C ATOM 335 C LYS A 23 -8.535 -1.491 0.696 1.00 0.00 C ATOM 336 O LYS A 23 -7.487 -0.876 0.645 1.00 0.00 O ATOM 337 CB LYS A 23 -10.080 0.436 1.163 1.00 0.00 C ATOM 338 CG LYS A 23 -10.697 0.447 -0.238 1.00 0.00 C ATOM 339 CD LYS A 23 -11.471 1.750 -0.447 1.00 0.00 C ATOM 340 CE LYS A 23 -10.832 2.549 -1.586 1.00 0.00 C ATOM 341 NZ LYS A 23 -11.977 3.041 -2.401 1.00 0.00 N ATOM 0 H LYS A 23 -8.364 -0.569 3.153 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.531 -1.690 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.786 0.845 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.195 1.072 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.915 0.352 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.363 -0.407 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.513 1.532 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.467 2.338 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.237 3.377 -1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.164 1.925 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.618 3.599 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.522 2.231 -2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.592 3.638 -1.811 1.00 0.00 H new ATOM 355 N ALA A 24 -8.705 -2.596 0.025 1.00 0.00 N ATOM 356 CA ALA A 24 -7.603 -3.130 -0.825 1.00 0.00 C ATOM 357 C ALA A 24 -7.407 -2.241 -2.055 1.00 0.00 C ATOM 358 O ALA A 24 -7.669 -2.641 -3.172 1.00 0.00 O ATOM 359 CB ALA A 24 -8.068 -4.527 -1.240 1.00 0.00 C ATOM 0 H ALA A 24 -9.559 -3.153 0.028 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.649 -3.157 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.309 -4.990 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.223 -5.138 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.003 -4.449 -1.795 1.00 0.00 H new ATOM 365 N ALA A 25 -6.944 -1.036 -1.858 1.00 0.00 N ATOM 366 CA ALA A 25 -6.729 -0.120 -3.014 1.00 0.00 C ATOM 367 C ALA A 25 -5.419 0.652 -2.838 1.00 0.00 C ATOM 368 O ALA A 25 -5.416 1.848 -2.632 1.00 0.00 O ATOM 369 CB ALA A 25 -7.921 0.837 -2.990 1.00 0.00 C ATOM 0 H ALA A 25 -6.705 -0.647 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.658 -0.658 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.835 1.545 -3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.846 0.269 -3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.933 1.380 -2.045 1.00 0.00 H new ATOM 375 N GLY A 26 -4.306 -0.024 -2.919 1.00 0.00 N ATOM 376 CA GLY A 26 -3.000 0.673 -2.755 1.00 0.00 C ATOM 377 C GLY A 26 -1.936 -0.031 -3.597 1.00 0.00 C ATOM 378 O GLY A 26 -2.157 -1.101 -4.126 1.00 0.00 O ATOM 0 H GLY A 26 -4.245 -1.027 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.091 1.715 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.706 0.674 -1.705 1.00 0.00 H new ATOM 382 N LYS A 27 -0.780 0.561 -3.726 1.00 0.00 N ATOM 383 CA LYS A 27 0.298 -0.078 -4.533 1.00 0.00 C ATOM 384 C LYS A 27 1.659 0.173 -3.881 1.00 0.00 C ATOM 385 O LYS A 27 1.778 0.937 -2.945 1.00 0.00 O ATOM 386 CB LYS A 27 0.235 0.600 -5.905 1.00 0.00 C ATOM 387 CG LYS A 27 -1.223 0.772 -6.339 1.00 0.00 C ATOM 388 CD LYS A 27 -1.282 1.647 -7.593 1.00 0.00 C ATOM 389 CE LYS A 27 -0.760 3.048 -7.265 1.00 0.00 C ATOM 390 NZ LYS A 27 -0.926 3.822 -8.526 1.00 0.00 N ATOM 0 H LYS A 27 -0.536 1.459 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 27 0.167 -1.158 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.727 1.572 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.774 0.002 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.671 -0.201 -6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.801 1.229 -5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.684 1.202 -8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.307 1.706 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.323 3.498 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.284 3.018 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.590 4.796 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.373 3.373 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.931 3.839 -8.793 1.00 0.00 H new ATOM 404 N CYS A 28 2.686 -0.460 -4.374 1.00 0.00 N ATOM 405 CA CYS A 28 4.041 -0.251 -3.787 1.00 0.00 C ATOM 406 C CYS A 28 4.918 0.519 -4.779 1.00 0.00 C ATOM 407 O CYS A 28 4.971 0.200 -5.950 1.00 0.00 O ATOM 408 CB CYS A 28 4.590 -1.661 -3.551 1.00 0.00 C ATOM 409 SG CYS A 28 6.388 -1.596 -3.319 1.00 0.00 S ATOM 0 H CYS A 28 2.647 -1.113 -5.157 1.00 0.00 H new ATOM 0 HA CYS A 28 4.018 0.329 -2.865 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.118 -2.102 -2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.347 -2.301 -4.399 1.00 0.00 H new ATOM 414 N MET A 29 5.603 1.531 -4.324 1.00 0.00 N ATOM 415 CA MET A 29 6.469 2.314 -5.250 1.00 0.00 C ATOM 416 C MET A 29 7.667 2.896 -4.494 1.00 0.00 C ATOM 417 O MET A 29 7.527 3.457 -3.426 1.00 0.00 O ATOM 418 CB MET A 29 5.571 3.432 -5.780 1.00 0.00 C ATOM 419 CG MET A 29 5.592 3.423 -7.311 1.00 0.00 C ATOM 420 SD MET A 29 6.906 4.518 -7.901 1.00 0.00 S ATOM 421 CE MET A 29 7.304 3.600 -9.408 1.00 0.00 C ATOM 0 H MET A 29 5.601 1.849 -3.355 1.00 0.00 H new ATOM 0 HA MET A 29 6.874 1.700 -6.055 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.552 3.296 -5.419 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.915 4.397 -5.407 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.756 2.410 -7.677 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.628 3.751 -7.701 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.108 4.107 -9.942 1.00 0.00 H new ATOM 0 HE2 MET A 29 7.623 2.591 -9.146 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.422 3.548 -10.046 1.00 0.00 H new ATOM 431 N ASN A 30 8.843 2.766 -5.043 1.00 0.00 N ATOM 432 CA ASN A 30 10.054 3.312 -4.362 1.00 0.00 C ATOM 433 C ASN A 30 10.258 2.637 -3.004 1.00 0.00 C ATOM 434 O ASN A 30 11.039 3.085 -2.189 1.00 0.00 O ATOM 435 CB ASN A 30 9.772 4.802 -4.181 1.00 0.00 C ATOM 436 CG ASN A 30 10.523 5.595 -5.252 1.00 0.00 C ATOM 437 OD1 ASN A 30 9.916 6.202 -6.112 1.00 0.00 O ATOM 438 ND2 ASN A 30 11.828 5.616 -5.236 1.00 0.00 N ATOM 0 H ASN A 30 9.019 2.305 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 30 10.961 3.135 -4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.701 4.992 -4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.085 5.125 -3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.338 6.142 -5.945 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.337 5.106 -4.514 1.00 0.00 H new ATOM 445 N GLY A 31 9.565 1.560 -2.753 1.00 0.00 N ATOM 446 CA GLY A 31 9.728 0.862 -1.446 1.00 0.00 C ATOM 447 C GLY A 31 8.722 1.416 -0.436 1.00 0.00 C ATOM 448 O GLY A 31 8.959 1.411 0.755 1.00 0.00 O ATOM 0 H GLY A 31 8.895 1.134 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.577 -0.210 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.744 0.998 -1.074 1.00 0.00 H new ATOM 452 N LYS A 32 7.600 1.892 -0.900 1.00 0.00 N ATOM 453 CA LYS A 32 6.581 2.446 0.039 1.00 0.00 C ATOM 454 C LYS A 32 5.176 2.030 -0.406 1.00 0.00 C ATOM 455 O LYS A 32 4.982 1.545 -1.504 1.00 0.00 O ATOM 456 CB LYS A 32 6.741 3.966 -0.043 1.00 0.00 C ATOM 457 CG LYS A 32 8.230 4.327 -0.063 1.00 0.00 C ATOM 458 CD LYS A 32 8.401 5.815 0.251 1.00 0.00 C ATOM 459 CE LYS A 32 8.883 5.982 1.693 1.00 0.00 C ATOM 460 NZ LYS A 32 10.289 5.489 1.688 1.00 0.00 N ATOM 0 H LYS A 32 7.344 1.922 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 32 6.717 2.080 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.253 4.345 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.253 4.439 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.770 3.726 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.657 4.100 -1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.118 6.262 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.455 6.338 0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.831 7.024 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.266 5.408 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.364 4.648 2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.566 5.240 0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.919 6.234 2.048 1.00 0.00 H new ATOM 474 N CYS A 33 4.193 2.216 0.433 1.00 0.00 N ATOM 475 CA CYS A 33 2.806 1.829 0.044 1.00 0.00 C ATOM 476 C CYS A 33 1.963 3.080 -0.205 1.00 0.00 C ATOM 477 O CYS A 33 1.760 3.891 0.676 1.00 0.00 O ATOM 478 CB CYS A 33 2.260 1.038 1.232 1.00 0.00 C ATOM 479 SG CYS A 33 1.220 -0.315 0.627 1.00 0.00 S ATOM 0 H CYS A 33 4.289 2.617 1.366 1.00 0.00 H new ATOM 0 HA CYS A 33 2.784 1.242 -0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.082 0.641 1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.681 1.693 1.884 1.00 0.00 H new ATOM 484 N LYS A 34 1.474 3.245 -1.404 1.00 0.00 N ATOM 485 CA LYS A 34 0.650 4.449 -1.713 1.00 0.00 C ATOM 486 C LYS A 34 -0.810 4.054 -1.951 1.00 0.00 C ATOM 487 O LYS A 34 -1.163 3.543 -2.997 1.00 0.00 O ATOM 488 CB LYS A 34 1.265 5.024 -2.988 1.00 0.00 C ATOM 489 CG LYS A 34 2.752 5.297 -2.759 1.00 0.00 C ATOM 490 CD LYS A 34 3.459 5.431 -4.109 1.00 0.00 C ATOM 491 CE LYS A 34 2.899 6.641 -4.861 1.00 0.00 C ATOM 492 NZ LYS A 34 2.923 6.249 -6.297 1.00 0.00 N ATOM 0 H LYS A 34 1.609 2.599 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 34 0.648 5.169 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.136 4.325 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.754 5.945 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.880 6.210 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.197 4.486 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.532 5.547 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.316 4.525 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.886 6.875 -4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.505 7.530 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.553 7.030 -6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.900 6.039 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.332 5.404 -6.436 1.00 0.00 H new ATOM 506 N CYS A 35 -1.664 4.293 -0.993 1.00 0.00 N ATOM 507 CA CYS A 35 -3.101 3.938 -1.169 1.00 0.00 C ATOM 508 C CYS A 35 -3.907 5.176 -1.575 1.00 0.00 C ATOM 509 O CYS A 35 -3.443 6.294 -1.467 1.00 0.00 O ATOM 510 CB CYS A 35 -3.557 3.429 0.199 1.00 0.00 C ATOM 511 SG CYS A 35 -2.761 1.841 0.548 1.00 0.00 S ATOM 0 H CYS A 35 -1.429 4.719 -0.096 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.247 3.192 -1.950 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.302 4.154 0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.641 3.316 0.214 1.00 0.00 H new ATOM 516 N TYR A 36 -5.109 4.982 -2.041 1.00 0.00 N ATOM 517 CA TYR A 36 -5.946 6.145 -2.455 1.00 0.00 C ATOM 518 C TYR A 36 -7.428 5.845 -2.200 1.00 0.00 C ATOM 519 O TYR A 36 -8.081 5.230 -3.019 1.00 0.00 O ATOM 520 CB TYR A 36 -5.685 6.305 -3.953 1.00 0.00 C ATOM 521 CG TYR A 36 -4.477 7.185 -4.167 1.00 0.00 C ATOM 522 CD1 TYR A 36 -4.616 8.578 -4.148 1.00 0.00 C ATOM 523 CD2 TYR A 36 -3.220 6.610 -4.388 1.00 0.00 C ATOM 524 CE1 TYR A 36 -3.497 9.395 -4.349 1.00 0.00 C ATOM 525 CE2 TYR A 36 -2.101 7.427 -4.589 1.00 0.00 C ATOM 526 CZ TYR A 36 -2.240 8.820 -4.569 1.00 0.00 C ATOM 527 OH TYR A 36 -1.137 9.626 -4.768 1.00 0.00 O ATOM 0 H TYR A 36 -5.549 4.069 -2.154 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.702 7.050 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.522 5.329 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.557 6.743 -4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.586 9.022 -3.978 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.113 5.535 -4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.604 10.470 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.131 6.983 -4.759 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.344 9.067 -4.905 1.00 0.00 H new ATOM 537 N PRO A 37 -7.915 6.288 -1.066 1.00 0.00 N ATOM 538 CA PRO A 37 -9.334 6.058 -0.704 1.00 0.00 C ATOM 539 C PRO A 37 -10.263 6.708 -1.734 1.00 0.00 C ATOM 540 O PRO A 37 -10.214 6.304 -2.884 1.00 0.00 O ATOM 541 CB PRO A 37 -9.450 6.751 0.658 1.00 0.00 C ATOM 542 CG PRO A 37 -8.082 7.357 1.025 1.00 0.00 C ATOM 543 CD PRO A 37 -7.083 7.036 -0.094 1.00 0.00 C ATOM 544 OXT PRO A 37 -11.006 7.596 -1.355 1.00 0.00 O ATOM 0 HA PRO A 37 -9.615 5.005 -0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.211 7.531 0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.763 6.037 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.170 8.436 1.155 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.731 6.949 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.662 7.940 -0.533 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.247 6.438 0.268 1.00 0.00 H new