USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 365 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 10 CYS SG : rot 89:sc= 0.0184 USER MOD Set 1.2: A 13 CYS SG : rot -134:sc= -0.767 USER MOD Set 1.3: A 43 CYS SG : rot 138:sc= -0.0753 USER MOD Set 1.4: A 46 CYS SG : rot -120:sc= -3.8! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -32:sc= 1.04 USER MOD Single : A 17 TYR OH : rot -146:sc= 0.171 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -86:sc= 0.0371 USER MOD Single : A 42 MET CE :methyl -173:sc= -0.939 (180deg=-0.994) USER MOD Single : A 48 SER OG : rot -84:sc= -3.36 USER MOD Single : A 50 LYS NZ :NH3+ -128:sc= -0.187 (180deg=-0.911) USER MOD Single : A 51 ASN : amide:sc= -0.0542 K(o=-0.054,f=-1.5!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.694 F(o=-3.2,f=-0.69) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0092 USER MOD ----------------------------------------------------------------- ATOM 88 N LYS A 7 -13.355 -15.058 9.106 1.00 0.00 N ATOM 89 CA LYS A 7 -12.497 -14.824 7.909 1.00 0.00 C ATOM 90 C LYS A 7 -11.397 -13.821 8.264 1.00 0.00 C ATOM 91 O LYS A 7 -11.671 -12.701 8.643 1.00 0.00 O ATOM 92 CB LYS A 7 -13.433 -14.248 6.847 1.00 0.00 C ATOM 93 CG LYS A 7 -13.615 -15.268 5.721 1.00 0.00 C ATOM 94 CD LYS A 7 -15.015 -15.878 5.804 1.00 0.00 C ATOM 95 CE LYS A 7 -16.041 -14.875 5.277 1.00 0.00 C ATOM 96 NZ LYS A 7 -16.337 -15.327 3.887 1.00 0.00 N ATOM 0 HA LYS A 7 -12.010 -15.733 7.556 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.398 -14.004 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.022 -13.320 6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.474 -14.786 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.861 -16.051 5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.057 -16.798 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.247 -16.143 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.941 -14.870 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.643 -13.860 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.035 -14.688 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.462 -15.315 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.720 -16.294 3.910 1.00 0.00 H new ATOM 110 N TYR A 8 -10.157 -14.213 8.160 1.00 0.00 N ATOM 111 CA TYR A 8 -9.047 -13.276 8.509 1.00 0.00 C ATOM 112 C TYR A 8 -8.377 -12.741 7.242 1.00 0.00 C ATOM 113 O TYR A 8 -8.579 -13.250 6.159 1.00 0.00 O ATOM 114 CB TYR A 8 -8.053 -14.114 9.317 1.00 0.00 C ATOM 115 CG TYR A 8 -8.449 -14.124 10.775 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.773 -14.394 11.141 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.488 -13.872 11.763 1.00 0.00 C ATOM 118 CE1 TYR A 8 -10.137 -14.415 12.492 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.854 -13.890 13.115 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.178 -14.163 13.480 1.00 0.00 C ATOM 121 OH TYR A 8 -9.538 -14.183 14.811 1.00 0.00 O ATOM 0 H TYR A 8 -9.863 -15.139 7.849 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.407 -12.412 9.068 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.027 -15.133 8.932 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -7.048 -13.706 9.208 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.514 -14.586 10.380 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.466 -13.664 11.482 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.158 -14.626 12.773 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.114 -13.693 13.877 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.753 -13.989 15.365 1.00 0.00 H new ATOM 131 N GLU A 9 -7.576 -11.719 7.373 1.00 0.00 N ATOM 132 CA GLU A 9 -6.884 -11.152 6.178 1.00 0.00 C ATOM 133 C GLU A 9 -5.388 -10.976 6.464 1.00 0.00 C ATOM 134 O GLU A 9 -5.001 -10.476 7.501 1.00 0.00 O ATOM 135 CB GLU A 9 -7.547 -9.793 5.939 1.00 0.00 C ATOM 136 CG GLU A 9 -6.832 -9.065 4.799 1.00 0.00 C ATOM 137 CD GLU A 9 -7.722 -7.933 4.282 1.00 0.00 C ATOM 138 OE1 GLU A 9 -7.949 -6.995 5.028 1.00 0.00 O ATOM 139 OE2 GLU A 9 -8.161 -8.024 3.147 1.00 0.00 O ATOM 0 H GLU A 9 -7.370 -11.251 8.256 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.967 -11.804 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.600 -9.929 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.507 -9.193 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.881 -8.664 5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.606 -9.762 3.992 1.00 0.00 H new ATOM 146 N CYS A 10 -4.545 -11.379 5.551 1.00 0.00 N ATOM 147 CA CYS A 10 -3.076 -11.228 5.773 1.00 0.00 C ATOM 148 C CYS A 10 -2.669 -9.768 5.596 1.00 0.00 C ATOM 149 O CYS A 10 -2.703 -9.237 4.504 1.00 0.00 O ATOM 150 CB CYS A 10 -2.417 -12.075 4.686 1.00 0.00 C ATOM 151 SG CYS A 10 -0.722 -12.489 5.161 1.00 0.00 S ATOM 0 H CYS A 10 -4.809 -11.805 4.663 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.783 -11.537 6.776 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.991 -12.988 4.527 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.415 -11.531 3.741 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.720 -13.597 5.840 1.00 0.00 H new ATOM 156 N GLU A 11 -2.265 -9.119 6.647 1.00 0.00 N ATOM 157 CA GLU A 11 -1.839 -7.700 6.507 1.00 0.00 C ATOM 158 C GLU A 11 -0.520 -7.632 5.727 1.00 0.00 C ATOM 159 O GLU A 11 -0.072 -6.573 5.334 1.00 0.00 O ATOM 160 CB GLU A 11 -1.638 -7.205 7.934 1.00 0.00 C ATOM 161 CG GLU A 11 -2.626 -6.076 8.228 1.00 0.00 C ATOM 162 CD GLU A 11 -2.260 -4.846 7.393 1.00 0.00 C ATOM 163 OE1 GLU A 11 -1.858 -5.026 6.255 1.00 0.00 O ATOM 164 OE2 GLU A 11 -2.388 -3.747 7.906 1.00 0.00 O ATOM 0 H GLU A 11 -2.211 -9.504 7.590 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.568 -7.096 5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.786 -8.024 8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.616 -6.851 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.641 -6.397 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.605 -5.828 9.289 1.00 0.00 H new ATOM 171 N ALA A 12 0.113 -8.759 5.515 1.00 0.00 N ATOM 172 CA ALA A 12 1.409 -8.767 4.780 1.00 0.00 C ATOM 173 C ALA A 12 1.201 -8.809 3.260 1.00 0.00 C ATOM 174 O ALA A 12 1.920 -8.167 2.520 1.00 0.00 O ATOM 175 CB ALA A 12 2.118 -10.036 5.252 1.00 0.00 C ATOM 0 H ALA A 12 -0.215 -9.675 5.821 1.00 0.00 H new ATOM 0 HA ALA A 12 1.984 -7.863 4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.085 -10.118 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.266 -9.990 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.509 -10.906 5.006 1.00 0.00 H new ATOM 181 N CYS A 13 0.248 -9.569 2.775 1.00 0.00 N ATOM 182 CA CYS A 13 0.059 -9.633 1.294 1.00 0.00 C ATOM 183 C CYS A 13 -1.379 -9.269 0.893 1.00 0.00 C ATOM 184 O CYS A 13 -1.605 -8.637 -0.121 1.00 0.00 O ATOM 185 CB CYS A 13 0.426 -11.080 0.909 1.00 0.00 C ATOM 186 SG CYS A 13 -0.913 -12.233 1.327 1.00 0.00 S ATOM 0 H CYS A 13 -0.394 -10.136 3.328 1.00 0.00 H new ATOM 0 HA CYS A 13 0.684 -8.912 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.634 -11.133 -0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.339 -11.376 1.426 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.416 -13.282 1.911 1.00 0.00 H new ATOM 191 N GLY A 14 -2.347 -9.653 1.673 1.00 0.00 N ATOM 192 CA GLY A 14 -3.761 -9.318 1.325 1.00 0.00 C ATOM 193 C GLY A 14 -4.569 -10.603 1.113 1.00 0.00 C ATOM 194 O GLY A 14 -5.603 -10.600 0.475 1.00 0.00 O ATOM 0 H GLY A 14 -2.225 -10.183 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.209 -8.725 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.787 -8.709 0.421 1.00 0.00 H new ATOM 198 N TYR A 15 -4.108 -11.700 1.648 1.00 0.00 N ATOM 199 CA TYR A 15 -4.844 -12.988 1.488 1.00 0.00 C ATOM 200 C TYR A 15 -5.989 -13.060 2.504 1.00 0.00 C ATOM 201 O TYR A 15 -5.998 -12.353 3.491 1.00 0.00 O ATOM 202 CB TYR A 15 -3.796 -14.071 1.768 1.00 0.00 C ATOM 203 CG TYR A 15 -4.455 -15.431 1.824 1.00 0.00 C ATOM 204 CD1 TYR A 15 -5.011 -15.889 3.025 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.509 -16.233 0.678 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.619 -17.149 3.081 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.117 -17.495 0.734 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.672 -17.952 1.936 1.00 0.00 C ATOM 209 OH TYR A 15 -6.271 -19.195 1.989 1.00 0.00 O ATOM 0 H TYR A 15 -3.248 -11.761 2.193 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.290 -13.102 0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.033 -14.060 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.291 -13.864 2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.971 -15.270 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.082 -15.880 -0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.047 -17.501 4.008 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.157 -18.115 -0.150 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.146 -19.581 2.881 1.00 0.00 H new ATOM 219 N ILE A 16 -6.956 -13.904 2.269 1.00 0.00 N ATOM 220 CA ILE A 16 -8.098 -14.014 3.224 1.00 0.00 C ATOM 221 C ILE A 16 -8.296 -15.477 3.647 1.00 0.00 C ATOM 222 O ILE A 16 -8.530 -16.344 2.829 1.00 0.00 O ATOM 223 CB ILE A 16 -9.313 -13.489 2.444 1.00 0.00 C ATOM 224 CG1 ILE A 16 -9.216 -11.967 2.313 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.611 -13.845 3.179 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.191 -11.607 1.238 1.00 0.00 C ATOM 0 H ILE A 16 -7.006 -14.522 1.459 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.935 -13.449 4.142 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.322 -13.950 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.190 -11.552 2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.926 -11.528 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.464 -13.467 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.690 -14.928 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.603 -13.393 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.124 -10.523 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.216 -12.008 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.500 -12.033 0.283 1.00 0.00 H new ATOM 238 N TYR A 17 -8.207 -15.754 4.921 1.00 0.00 N ATOM 239 CA TYR A 17 -8.394 -17.155 5.398 1.00 0.00 C ATOM 240 C TYR A 17 -9.883 -17.438 5.640 1.00 0.00 C ATOM 241 O TYR A 17 -10.601 -16.623 6.184 1.00 0.00 O ATOM 242 CB TYR A 17 -7.602 -17.237 6.712 1.00 0.00 C ATOM 243 CG TYR A 17 -7.937 -18.521 7.442 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.437 -19.744 6.981 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.756 -18.485 8.580 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.753 -20.931 7.657 1.00 0.00 C ATOM 247 CE2 TYR A 17 -9.073 -19.671 9.253 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.571 -20.893 8.792 1.00 0.00 C ATOM 249 OH TYR A 17 -8.883 -22.062 9.457 1.00 0.00 O ATOM 0 H TYR A 17 -8.013 -15.070 5.652 1.00 0.00 H new ATOM 0 HA TYR A 17 -8.049 -17.890 4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.533 -17.196 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.838 -16.379 7.342 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.807 -19.774 6.104 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.142 -17.542 8.937 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.365 -21.874 7.302 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.705 -19.643 10.128 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.793 -22.001 9.816 1.00 0.00 H new ATOM 259 N GLU A 18 -10.340 -18.596 5.245 1.00 0.00 N ATOM 260 CA GLU A 18 -11.774 -18.948 5.453 1.00 0.00 C ATOM 261 C GLU A 18 -11.884 -20.148 6.408 1.00 0.00 C ATOM 262 O GLU A 18 -11.481 -21.241 6.066 1.00 0.00 O ATOM 263 CB GLU A 18 -12.296 -19.323 4.066 1.00 0.00 C ATOM 264 CG GLU A 18 -12.208 -18.110 3.140 1.00 0.00 C ATOM 265 CD GLU A 18 -13.206 -18.272 1.992 1.00 0.00 C ATOM 266 OE1 GLU A 18 -13.178 -19.311 1.352 1.00 0.00 O ATOM 267 OE2 GLU A 18 -13.982 -17.357 1.773 1.00 0.00 O ATOM 0 H GLU A 18 -9.780 -19.315 4.786 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.343 -18.129 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.712 -20.148 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.328 -19.666 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.423 -17.198 3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.196 -18.012 2.746 1.00 0.00 H new ATOM 274 N PRO A 19 -12.427 -19.908 7.579 1.00 0.00 N ATOM 275 CA PRO A 19 -12.580 -20.998 8.576 1.00 0.00 C ATOM 276 C PRO A 19 -13.675 -21.976 8.155 1.00 0.00 C ATOM 277 O PRO A 19 -13.418 -23.127 7.862 1.00 0.00 O ATOM 278 CB PRO A 19 -12.962 -20.265 9.857 1.00 0.00 C ATOM 279 CG PRO A 19 -13.557 -18.964 9.416 1.00 0.00 C ATOM 280 CD PRO A 19 -12.944 -18.625 8.081 1.00 0.00 C ATOM 0 HA PRO A 19 -11.677 -21.598 8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.677 -20.844 10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.090 -20.102 10.490 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.641 -19.045 9.333 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.351 -18.180 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.683 -18.201 7.401 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.147 -17.889 8.185 1.00 0.00 H new ATOM 288 N GLU A 20 -14.892 -21.521 8.132 1.00 0.00 N ATOM 289 CA GLU A 20 -16.034 -22.404 7.740 1.00 0.00 C ATOM 290 C GLU A 20 -15.692 -23.220 6.487 1.00 0.00 C ATOM 291 O GLU A 20 -16.214 -24.298 6.276 1.00 0.00 O ATOM 292 CB GLU A 20 -17.187 -21.441 7.451 1.00 0.00 C ATOM 293 CG GLU A 20 -18.463 -22.238 7.172 1.00 0.00 C ATOM 294 CD GLU A 20 -19.547 -21.827 8.171 1.00 0.00 C ATOM 295 OE1 GLU A 20 -19.665 -20.642 8.432 1.00 0.00 O ATOM 296 OE2 GLU A 20 -20.238 -22.705 8.657 1.00 0.00 O ATOM 0 H GLU A 20 -15.153 -20.564 8.370 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.278 -23.125 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.340 -20.776 8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.944 -20.813 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.804 -22.055 6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.263 -23.306 7.254 1.00 0.00 H new ATOM 303 N LYS A 21 -14.821 -22.717 5.658 1.00 0.00 N ATOM 304 CA LYS A 21 -14.448 -23.467 4.425 1.00 0.00 C ATOM 305 C LYS A 21 -13.118 -24.196 4.628 1.00 0.00 C ATOM 306 O LYS A 21 -12.882 -25.246 4.065 1.00 0.00 O ATOM 307 CB LYS A 21 -14.319 -22.401 3.336 1.00 0.00 C ATOM 308 CG LYS A 21 -14.399 -23.065 1.960 1.00 0.00 C ATOM 309 CD LYS A 21 -15.792 -23.664 1.766 1.00 0.00 C ATOM 310 CE LYS A 21 -16.005 -23.990 0.287 1.00 0.00 C ATOM 311 NZ LYS A 21 -17.480 -23.919 0.086 1.00 0.00 N ATOM 0 H LYS A 21 -14.351 -21.820 5.780 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.186 -24.226 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.112 -21.661 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.372 -21.871 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.193 -22.334 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.641 -23.844 1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.898 -24.567 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.552 -22.962 2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.485 -23.278 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.620 -24.980 0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.706 -24.131 -0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.948 -24.613 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.817 -22.963 0.321 1.00 0.00 H new ATOM 325 N GLY A 22 -12.252 -23.651 5.434 1.00 0.00 N ATOM 326 CA GLY A 22 -10.942 -24.317 5.679 1.00 0.00 C ATOM 327 C GLY A 22 -9.957 -23.949 4.566 1.00 0.00 C ATOM 328 O GLY A 22 -10.336 -23.739 3.430 1.00 0.00 O ATOM 0 H GLY A 22 -12.394 -22.773 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.543 -24.011 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.075 -25.398 5.717 1.00 0.00 H new ATOM 332 N ASP A 23 -8.695 -23.879 4.886 1.00 0.00 N ATOM 333 CA ASP A 23 -7.677 -23.539 3.856 1.00 0.00 C ATOM 334 C ASP A 23 -7.262 -24.803 3.110 1.00 0.00 C ATOM 335 O ASP A 23 -6.125 -25.223 3.170 1.00 0.00 O ATOM 336 CB ASP A 23 -6.497 -22.958 4.634 1.00 0.00 C ATOM 337 CG ASP A 23 -5.823 -21.867 3.798 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.347 -22.184 2.721 1.00 0.00 O ATOM 339 OD2 ASP A 23 -5.799 -20.733 4.248 1.00 0.00 O ATOM 0 H ASP A 23 -8.324 -24.044 5.822 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.052 -22.834 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.841 -22.544 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.781 -23.745 4.870 1.00 0.00 H new ATOM 344 N LYS A 24 -8.182 -25.418 2.421 1.00 0.00 N ATOM 345 CA LYS A 24 -7.860 -26.670 1.668 1.00 0.00 C ATOM 346 C LYS A 24 -6.546 -26.519 0.892 1.00 0.00 C ATOM 347 O LYS A 24 -5.833 -27.476 0.668 1.00 0.00 O ATOM 348 CB LYS A 24 -9.028 -26.861 0.703 1.00 0.00 C ATOM 349 CG LYS A 24 -9.445 -28.332 0.694 1.00 0.00 C ATOM 350 CD LYS A 24 -10.693 -28.499 -0.174 1.00 0.00 C ATOM 351 CE LYS A 24 -10.644 -29.855 -0.882 1.00 0.00 C ATOM 352 NZ LYS A 24 -12.051 -30.346 -0.861 1.00 0.00 N ATOM 0 H LYS A 24 -9.151 -25.108 2.345 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.730 -27.522 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.868 -26.235 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.740 -26.547 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.634 -28.949 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.647 -28.671 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.589 -28.431 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.749 -27.695 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.275 -29.755 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.976 -30.546 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.102 -31.273 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.372 -30.437 0.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.662 -29.671 -1.364 1.00 0.00 H new ATOM 366 N PHE A 25 -6.220 -25.321 0.489 1.00 0.00 N ATOM 367 CA PHE A 25 -4.949 -25.111 -0.263 1.00 0.00 C ATOM 368 C PHE A 25 -3.752 -25.337 0.664 1.00 0.00 C ATOM 369 O PHE A 25 -2.674 -25.693 0.230 1.00 0.00 O ATOM 370 CB PHE A 25 -5.000 -23.656 -0.734 1.00 0.00 C ATOM 371 CG PHE A 25 -5.720 -23.583 -2.059 1.00 0.00 C ATOM 372 CD1 PHE A 25 -5.035 -23.875 -3.244 1.00 0.00 C ATOM 373 CD2 PHE A 25 -7.072 -23.224 -2.103 1.00 0.00 C ATOM 374 CE1 PHE A 25 -5.700 -23.808 -4.473 1.00 0.00 C ATOM 375 CE2 PHE A 25 -7.739 -23.158 -3.332 1.00 0.00 C ATOM 376 CZ PHE A 25 -7.053 -23.450 -4.518 1.00 0.00 C ATOM 0 H PHE A 25 -6.776 -24.481 0.647 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.841 -25.802 -1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.513 -23.041 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.990 -23.259 -0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.992 -24.152 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.601 -22.998 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.170 -24.032 -5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.783 -22.882 -3.366 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.567 -23.399 -5.466 1.00 0.00 H new ATOM 386 N ALA A 26 -3.937 -25.136 1.940 1.00 0.00 N ATOM 387 CA ALA A 26 -2.818 -25.341 2.904 1.00 0.00 C ATOM 388 C ALA A 26 -2.969 -26.696 3.601 1.00 0.00 C ATOM 389 O ALA A 26 -2.000 -27.315 3.996 1.00 0.00 O ATOM 390 CB ALA A 26 -2.952 -24.202 3.915 1.00 0.00 C ATOM 0 H ALA A 26 -4.818 -24.838 2.358 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.844 -25.338 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.161 -24.283 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.868 -23.246 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.923 -24.264 4.407 1.00 0.00 H new ATOM 396 N GLY A 27 -4.178 -27.166 3.749 1.00 0.00 N ATOM 397 CA GLY A 27 -4.388 -28.484 4.412 1.00 0.00 C ATOM 398 C GLY A 27 -5.320 -28.334 5.619 1.00 0.00 C ATOM 399 O GLY A 27 -5.404 -29.212 6.455 1.00 0.00 O ATOM 0 H GLY A 27 -5.028 -26.695 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.815 -29.192 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.430 -28.893 4.733 1.00 0.00 H new ATOM 403 N ILE A 28 -6.028 -27.241 5.724 1.00 0.00 N ATOM 404 CA ILE A 28 -6.950 -27.065 6.882 1.00 0.00 C ATOM 405 C ILE A 28 -8.406 -27.250 6.421 1.00 0.00 C ATOM 406 O ILE A 28 -8.862 -26.548 5.541 1.00 0.00 O ATOM 407 CB ILE A 28 -6.715 -25.631 7.359 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.277 -25.487 7.858 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.684 -25.307 8.498 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.760 -24.087 7.521 1.00 0.00 C ATOM 0 H ILE A 28 -6.008 -26.466 5.061 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.769 -27.790 7.675 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.883 -24.942 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.236 -25.653 8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.642 -26.242 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.517 -24.285 8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.710 -25.408 8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.517 -25.997 9.325 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.735 -23.983 7.876 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.787 -23.939 6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.389 -23.340 8.005 1.00 0.00 H new ATOM 422 N PRO A 29 -9.091 -28.196 7.022 1.00 0.00 N ATOM 423 CA PRO A 29 -10.504 -28.461 6.644 1.00 0.00 C ATOM 424 C PRO A 29 -11.415 -27.320 7.117 1.00 0.00 C ATOM 425 O PRO A 29 -10.982 -26.445 7.839 1.00 0.00 O ATOM 426 CB PRO A 29 -10.835 -29.760 7.374 1.00 0.00 C ATOM 427 CG PRO A 29 -9.890 -29.801 8.532 1.00 0.00 C ATOM 428 CD PRO A 29 -8.633 -29.096 8.093 1.00 0.00 C ATOM 0 HA PRO A 29 -10.649 -28.534 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.872 -29.772 7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.701 -30.624 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.324 -29.310 9.403 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.676 -30.830 8.820 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.178 -28.542 8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.885 -29.801 7.731 1.00 0.00 H new ATOM 436 N PRO A 30 -12.657 -27.368 6.692 1.00 0.00 N ATOM 437 CA PRO A 30 -13.633 -26.319 7.082 1.00 0.00 C ATOM 438 C PRO A 30 -14.002 -26.464 8.558 1.00 0.00 C ATOM 439 O PRO A 30 -13.331 -27.137 9.316 1.00 0.00 O ATOM 440 CB PRO A 30 -14.842 -26.604 6.197 1.00 0.00 C ATOM 441 CG PRO A 30 -14.736 -28.056 5.867 1.00 0.00 C ATOM 442 CD PRO A 30 -13.266 -28.385 5.823 1.00 0.00 C ATOM 0 HA PRO A 30 -13.247 -25.307 6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.774 -26.383 6.717 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.827 -25.991 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.246 -28.661 6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.209 -28.270 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.070 -29.393 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.874 -28.331 4.808 1.00 0.00 H new ATOM 450 N GLY A 31 -15.069 -25.840 8.966 1.00 0.00 N ATOM 451 CA GLY A 31 -15.506 -25.934 10.392 1.00 0.00 C ATOM 452 C GLY A 31 -14.317 -25.682 11.327 1.00 0.00 C ATOM 453 O GLY A 31 -14.228 -26.249 12.398 1.00 0.00 O ATOM 0 H GLY A 31 -15.664 -25.264 8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.293 -25.206 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.929 -26.920 10.586 1.00 0.00 H new ATOM 457 N THR A 32 -13.405 -24.837 10.932 1.00 0.00 N ATOM 458 CA THR A 32 -12.226 -24.554 11.802 1.00 0.00 C ATOM 459 C THR A 32 -11.925 -23.046 11.814 1.00 0.00 C ATOM 460 O THR A 32 -11.690 -22.461 10.775 1.00 0.00 O ATOM 461 CB THR A 32 -11.070 -25.325 11.162 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.400 -26.706 11.104 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.805 -25.136 11.999 1.00 0.00 C ATOM 0 H THR A 32 -13.424 -24.331 10.047 1.00 0.00 H new ATOM 0 HA THR A 32 -12.394 -24.853 12.837 1.00 0.00 H new ATOM 0 HB THR A 32 -10.895 -24.950 10.154 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.884 -26.892 10.272 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.981 -25.685 11.543 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.553 -24.076 12.044 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.977 -25.511 13.008 1.00 0.00 H new ATOM 471 N PRO A 33 -11.945 -22.459 12.987 1.00 0.00 N ATOM 472 CA PRO A 33 -11.670 -21.005 13.108 1.00 0.00 C ATOM 473 C PRO A 33 -10.182 -20.715 12.895 1.00 0.00 C ATOM 474 O PRO A 33 -9.337 -21.560 13.110 1.00 0.00 O ATOM 475 CB PRO A 33 -12.081 -20.677 14.540 1.00 0.00 C ATOM 476 CG PRO A 33 -11.958 -21.969 15.283 1.00 0.00 C ATOM 477 CD PRO A 33 -12.220 -23.075 14.295 1.00 0.00 C ATOM 0 HA PRO A 33 -12.204 -20.411 12.366 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.436 -19.911 14.970 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.101 -20.294 14.580 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.964 -22.069 15.719 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.672 -22.010 16.105 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.572 -23.933 14.476 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.248 -23.432 14.359 1.00 0.00 H new ATOM 485 N PHE A 34 -9.857 -19.520 12.481 1.00 0.00 N ATOM 486 CA PHE A 34 -8.424 -19.174 12.262 1.00 0.00 C ATOM 487 C PHE A 34 -7.635 -19.379 13.562 1.00 0.00 C ATOM 488 O PHE A 34 -6.461 -19.688 13.545 1.00 0.00 O ATOM 489 CB PHE A 34 -8.435 -17.694 11.843 1.00 0.00 C ATOM 490 CG PHE A 34 -7.037 -17.117 11.920 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.579 -16.553 13.116 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.201 -17.155 10.798 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.285 -16.026 13.192 1.00 0.00 C ATOM 494 CE2 PHE A 34 -4.906 -16.626 10.872 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.448 -16.063 12.070 1.00 0.00 C ATOM 0 H PHE A 34 -10.520 -18.770 12.285 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.948 -19.799 11.506 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.820 -17.599 10.828 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.105 -17.130 12.492 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.225 -16.524 13.981 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.554 -17.592 9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.932 -15.591 14.115 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.261 -16.652 10.006 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.449 -15.657 12.128 1.00 0.00 H new ATOM 505 N VAL A 35 -8.274 -19.206 14.685 1.00 0.00 N ATOM 506 CA VAL A 35 -7.563 -19.386 15.984 1.00 0.00 C ATOM 507 C VAL A 35 -7.095 -20.837 16.149 1.00 0.00 C ATOM 508 O VAL A 35 -6.279 -21.140 16.997 1.00 0.00 O ATOM 509 CB VAL A 35 -8.601 -19.030 17.048 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.112 -17.608 16.805 1.00 0.00 C ATOM 511 CG2 VAL A 35 -9.773 -20.013 16.972 1.00 0.00 C ATOM 0 H VAL A 35 -9.258 -18.948 14.761 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.671 -18.764 16.054 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.143 -19.089 18.035 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.852 -17.353 17.563 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.279 -16.907 16.861 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.569 -17.550 15.817 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.512 -19.758 17.731 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.232 -19.956 15.985 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.410 -21.026 17.145 1.00 0.00 H new ATOM 521 N ASP A 36 -7.605 -21.738 15.352 1.00 0.00 N ATOM 522 CA ASP A 36 -7.184 -23.165 15.475 1.00 0.00 C ATOM 523 C ASP A 36 -6.115 -23.515 14.431 1.00 0.00 C ATOM 524 O ASP A 36 -5.654 -24.637 14.361 1.00 0.00 O ATOM 525 CB ASP A 36 -8.459 -23.973 15.231 1.00 0.00 C ATOM 526 CG ASP A 36 -8.927 -24.596 16.547 1.00 0.00 C ATOM 527 OD1 ASP A 36 -8.274 -25.517 17.009 1.00 0.00 O ATOM 528 OD2 ASP A 36 -9.929 -24.140 17.073 1.00 0.00 O ATOM 0 H ASP A 36 -8.293 -21.549 14.623 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.741 -23.375 16.449 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.238 -23.329 14.824 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.272 -24.753 14.493 1.00 0.00 H new ATOM 533 N LEU A 37 -5.711 -22.571 13.620 1.00 0.00 N ATOM 534 CA LEU A 37 -4.672 -22.869 12.591 1.00 0.00 C ATOM 535 C LEU A 37 -3.436 -23.490 13.251 1.00 0.00 C ATOM 536 O LEU A 37 -3.311 -23.512 14.459 1.00 0.00 O ATOM 537 CB LEU A 37 -4.327 -21.515 11.968 1.00 0.00 C ATOM 538 CG LEU A 37 -5.384 -21.150 10.922 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.044 -19.793 10.303 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.406 -22.218 9.826 1.00 0.00 C ATOM 0 H LEU A 37 -6.055 -21.611 13.626 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.024 -23.581 11.844 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.284 -20.747 12.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.341 -21.556 11.505 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.363 -21.096 11.399 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.797 -19.534 9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.027 -19.031 11.083 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.065 -19.846 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.158 -21.959 9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.427 -22.271 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.649 -23.185 10.266 1.00 0.00 H new ATOM 552 N SER A 38 -2.524 -23.998 12.467 1.00 0.00 N ATOM 553 CA SER A 38 -1.300 -24.618 13.051 1.00 0.00 C ATOM 554 C SER A 38 -0.510 -23.583 13.856 1.00 0.00 C ATOM 555 O SER A 38 -0.582 -22.396 13.603 1.00 0.00 O ATOM 556 CB SER A 38 -0.482 -25.098 11.851 1.00 0.00 C ATOM 557 OG SER A 38 0.876 -25.246 12.234 1.00 0.00 O ATOM 0 H SER A 38 -2.573 -24.011 11.448 1.00 0.00 H new ATOM 0 HA SER A 38 -1.541 -25.434 13.733 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.874 -26.048 11.486 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.564 -24.384 11.032 1.00 0.00 H new ATOM 0 HG SER A 38 1.401 -25.555 11.466 1.00 0.00 H new ATOM 563 N ASP A 39 0.244 -24.024 14.824 1.00 0.00 N ATOM 564 CA ASP A 39 1.042 -23.070 15.648 1.00 0.00 C ATOM 565 C ASP A 39 1.917 -22.191 14.751 1.00 0.00 C ATOM 566 O ASP A 39 2.086 -21.013 14.993 1.00 0.00 O ATOM 567 CB ASP A 39 1.921 -23.947 16.544 1.00 0.00 C ATOM 568 CG ASP A 39 2.677 -24.970 15.690 1.00 0.00 C ATOM 569 OD1 ASP A 39 3.730 -24.624 15.180 1.00 0.00 O ATOM 570 OD2 ASP A 39 2.190 -26.082 15.563 1.00 0.00 O ATOM 0 H ASP A 39 0.343 -25.006 15.082 1.00 0.00 H new ATOM 0 HA ASP A 39 0.403 -22.403 16.227 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.628 -23.326 17.095 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.305 -24.460 17.282 1.00 0.00 H new ATOM 575 N SER A 40 2.481 -22.759 13.721 1.00 0.00 N ATOM 576 CA SER A 40 3.352 -21.959 12.813 1.00 0.00 C ATOM 577 C SER A 40 2.794 -21.971 11.387 1.00 0.00 C ATOM 578 O SER A 40 3.523 -22.132 10.427 1.00 0.00 O ATOM 579 CB SER A 40 4.713 -22.654 12.864 1.00 0.00 C ATOM 580 OG SER A 40 4.610 -23.943 12.280 1.00 0.00 O ATOM 0 H SER A 40 2.377 -23.742 13.469 1.00 0.00 H new ATOM 0 HA SER A 40 3.413 -20.914 13.115 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.456 -22.060 12.331 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.052 -22.737 13.897 1.00 0.00 H new ATOM 0 HG SER A 40 4.311 -24.586 12.957 1.00 0.00 H new ATOM 586 N PHE A 41 1.510 -21.801 11.239 1.00 0.00 N ATOM 587 CA PHE A 41 0.909 -21.799 9.874 1.00 0.00 C ATOM 588 C PHE A 41 1.462 -20.623 9.060 1.00 0.00 C ATOM 589 O PHE A 41 1.579 -19.517 9.549 1.00 0.00 O ATOM 590 CB PHE A 41 -0.601 -21.645 10.110 1.00 0.00 C ATOM 591 CG PHE A 41 -1.304 -21.321 8.808 1.00 0.00 C ATOM 592 CD1 PHE A 41 -1.742 -22.355 7.970 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.515 -19.985 8.438 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.389 -22.053 6.766 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.161 -19.685 7.234 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.598 -20.719 6.398 1.00 0.00 C ATOM 0 H PHE A 41 0.850 -21.663 12.004 1.00 0.00 H new ATOM 0 HA PHE A 41 1.138 -22.704 9.312 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.006 -22.565 10.531 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.784 -20.854 10.837 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.580 -23.385 8.253 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.178 -19.187 9.083 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.727 -22.850 6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.323 -18.656 6.950 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.097 -20.487 5.468 1.00 0.00 H new ATOM 606 N MET A 42 1.794 -20.852 7.820 1.00 0.00 N ATOM 607 CA MET A 42 2.326 -19.743 6.977 1.00 0.00 C ATOM 608 C MET A 42 1.309 -19.392 5.891 1.00 0.00 C ATOM 609 O MET A 42 0.394 -20.142 5.619 1.00 0.00 O ATOM 610 CB MET A 42 3.613 -20.280 6.348 1.00 0.00 C ATOM 611 CG MET A 42 4.540 -20.820 7.440 1.00 0.00 C ATOM 612 SD MET A 42 5.296 -19.437 8.327 1.00 0.00 S ATOM 613 CE MET A 42 6.790 -19.308 7.314 1.00 0.00 C ATOM 0 H MET A 42 1.721 -21.756 7.354 1.00 0.00 H new ATOM 0 HA MET A 42 2.515 -18.840 7.558 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.378 -21.070 5.635 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.114 -19.488 5.792 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.978 -21.446 8.133 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.313 -21.448 6.998 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.472 -18.586 7.762 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.277 -20.282 7.258 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.522 -18.979 6.310 1.00 0.00 H new ATOM 623 N CYS A 43 1.463 -18.260 5.268 1.00 0.00 N ATOM 624 CA CYS A 43 0.503 -17.865 4.200 1.00 0.00 C ATOM 625 C CYS A 43 0.793 -18.641 2.911 1.00 0.00 C ATOM 626 O CYS A 43 1.929 -18.722 2.488 1.00 0.00 O ATOM 627 CB CYS A 43 0.760 -16.380 3.974 1.00 0.00 C ATOM 628 SG CYS A 43 -0.597 -15.658 3.024 1.00 0.00 S ATOM 0 H CYS A 43 2.211 -17.591 5.451 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.529 -18.074 4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.857 -15.869 4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.701 -16.242 3.442 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.907 -14.499 3.523 1.00 0.00 H new ATOM 633 N PRO A 44 -0.242 -19.174 2.311 1.00 0.00 N ATOM 634 CA PRO A 44 -0.066 -19.922 1.047 1.00 0.00 C ATOM 635 C PRO A 44 0.175 -18.950 -0.118 1.00 0.00 C ATOM 636 O PRO A 44 0.378 -19.360 -1.244 1.00 0.00 O ATOM 637 CB PRO A 44 -1.391 -20.659 0.877 1.00 0.00 C ATOM 638 CG PRO A 44 -2.392 -19.847 1.638 1.00 0.00 C ATOM 639 CD PRO A 44 -1.648 -19.136 2.742 1.00 0.00 C ATOM 0 HA PRO A 44 0.790 -20.597 1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.666 -20.738 -0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.329 -21.675 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.883 -19.129 0.981 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.172 -20.487 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.000 -18.112 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.784 -19.636 3.701 1.00 0.00 H new ATOM 647 N ALA A 45 0.153 -17.664 0.138 1.00 0.00 N ATOM 648 CA ALA A 45 0.378 -16.684 -0.961 1.00 0.00 C ATOM 649 C ALA A 45 1.647 -15.863 -0.704 1.00 0.00 C ATOM 650 O ALA A 45 2.342 -15.482 -1.625 1.00 0.00 O ATOM 651 CB ALA A 45 -0.856 -15.782 -0.944 1.00 0.00 C ATOM 0 H ALA A 45 -0.011 -17.256 1.058 1.00 0.00 H new ATOM 0 HA ALA A 45 0.515 -17.175 -1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.767 -15.030 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.749 -16.383 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.933 -15.289 0.025 1.00 0.00 H new ATOM 657 N CYS A 46 1.956 -15.581 0.533 1.00 0.00 N ATOM 658 CA CYS A 46 3.185 -14.781 0.817 1.00 0.00 C ATOM 659 C CYS A 46 4.066 -15.470 1.885 1.00 0.00 C ATOM 660 O CYS A 46 5.061 -14.928 2.325 1.00 0.00 O ATOM 661 CB CYS A 46 2.665 -13.385 1.244 1.00 0.00 C ATOM 662 SG CYS A 46 2.387 -13.267 3.035 1.00 0.00 S ATOM 0 H CYS A 46 1.418 -15.866 1.352 1.00 0.00 H new ATOM 0 HA CYS A 46 3.842 -14.691 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.384 -12.624 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.734 -13.171 0.720 1.00 0.00 H new ATOM 0 HG CYS A 46 1.137 -12.993 3.263 1.00 0.00 H new ATOM 667 N ARG A 47 3.721 -16.674 2.276 1.00 0.00 N ATOM 668 CA ARG A 47 4.546 -17.422 3.281 1.00 0.00 C ATOM 669 C ARG A 47 4.701 -16.656 4.604 1.00 0.00 C ATOM 670 O ARG A 47 5.567 -16.960 5.399 1.00 0.00 O ATOM 671 CB ARG A 47 5.910 -17.601 2.612 1.00 0.00 C ATOM 672 CG ARG A 47 6.382 -19.047 2.787 1.00 0.00 C ATOM 673 CD ARG A 47 7.480 -19.100 3.851 1.00 0.00 C ATOM 674 NE ARG A 47 8.747 -19.263 3.083 1.00 0.00 N ATOM 675 CZ ARG A 47 9.889 -18.948 3.634 1.00 0.00 C ATOM 676 NH1 ARG A 47 10.372 -17.744 3.492 1.00 0.00 N ATOM 677 NH2 ARG A 47 10.546 -19.838 4.326 1.00 0.00 N ATOM 0 H ARG A 47 2.898 -17.175 1.940 1.00 0.00 H new ATOM 0 HA ARG A 47 4.071 -18.367 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.841 -17.356 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.635 -16.916 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.545 -19.681 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.759 -19.435 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.495 -18.189 4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.325 -19.931 4.539 1.00 0.00 H new ATOM 0 HE ARG A 47 8.722 -19.620 2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.858 -17.049 2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.264 -17.498 3.922 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.168 -20.779 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.438 -19.593 4.756 1.00 0.00 H new ATOM 691 N SER A 48 3.873 -15.681 4.862 1.00 0.00 N ATOM 692 CA SER A 48 3.996 -14.934 6.149 1.00 0.00 C ATOM 693 C SER A 48 3.515 -15.814 7.310 1.00 0.00 C ATOM 694 O SER A 48 2.730 -16.720 7.110 1.00 0.00 O ATOM 695 CB SER A 48 3.087 -13.715 5.997 1.00 0.00 C ATOM 696 OG SER A 48 2.802 -13.169 7.276 1.00 0.00 O ATOM 0 H SER A 48 3.123 -15.370 4.245 1.00 0.00 H new ATOM 0 HA SER A 48 5.026 -14.647 6.362 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.570 -12.965 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.161 -14.000 5.498 1.00 0.00 H new ATOM 0 HG SER A 48 2.051 -13.653 7.678 1.00 0.00 H new ATOM 702 N PRO A 49 3.996 -15.519 8.492 1.00 0.00 N ATOM 703 CA PRO A 49 3.594 -16.303 9.687 1.00 0.00 C ATOM 704 C PRO A 49 2.117 -16.059 10.013 1.00 0.00 C ATOM 705 O PRO A 49 1.621 -14.956 9.905 1.00 0.00 O ATOM 706 CB PRO A 49 4.502 -15.763 10.791 1.00 0.00 C ATOM 707 CG PRO A 49 4.880 -14.391 10.334 1.00 0.00 C ATOM 708 CD PRO A 49 4.944 -14.447 8.832 1.00 0.00 C ATOM 0 HA PRO A 49 3.696 -17.380 9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.984 -15.732 11.750 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.382 -16.393 10.924 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.146 -13.656 10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.841 -14.093 10.753 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.656 -13.497 8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.951 -14.674 8.481 1.00 0.00 H new ATOM 716 N LYS A 50 1.409 -17.085 10.405 1.00 0.00 N ATOM 717 CA LYS A 50 -0.039 -16.920 10.730 1.00 0.00 C ATOM 718 C LYS A 50 -0.248 -15.750 11.691 1.00 0.00 C ATOM 719 O LYS A 50 -1.304 -15.149 11.726 1.00 0.00 O ATOM 720 CB LYS A 50 -0.448 -18.240 11.388 1.00 0.00 C ATOM 721 CG LYS A 50 -1.956 -18.246 11.638 1.00 0.00 C ATOM 722 CD LYS A 50 -2.258 -19.093 12.876 1.00 0.00 C ATOM 723 CE LYS A 50 -3.508 -18.554 13.575 1.00 0.00 C ATOM 724 NZ LYS A 50 -3.679 -19.425 14.771 1.00 0.00 N ATOM 0 H LYS A 50 1.771 -18.032 10.514 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.635 -16.701 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.173 -19.078 10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.087 -18.369 12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.317 -17.228 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.479 -18.649 10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.410 -20.133 12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.409 -19.072 13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.382 -17.510 13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.379 -18.603 12.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.650 -19.797 14.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.006 -20.216 14.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.501 -18.870 15.633 1.00 0.00 H new ATOM 738 N ASN A 51 0.744 -15.411 12.464 1.00 0.00 N ATOM 739 CA ASN A 51 0.580 -14.268 13.402 1.00 0.00 C ATOM 740 C ASN A 51 0.430 -12.965 12.616 1.00 0.00 C ATOM 741 O ASN A 51 0.044 -11.946 13.153 1.00 0.00 O ATOM 742 CB ASN A 51 1.853 -14.246 14.247 1.00 0.00 C ATOM 743 CG ASN A 51 1.634 -13.350 15.468 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.540 -13.277 15.992 1.00 0.00 O ATOM 745 ND2 ASN A 51 2.633 -12.659 15.944 1.00 0.00 N ATOM 0 H ASN A 51 1.654 -15.871 12.487 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.309 -14.371 14.024 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.110 -15.257 14.565 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.690 -13.875 13.655 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.496 -12.057 16.756 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.551 -12.720 15.504 1.00 0.00 H new ATOM 752 N GLN A 52 0.719 -12.988 11.342 1.00 0.00 N ATOM 753 CA GLN A 52 0.574 -11.751 10.529 1.00 0.00 C ATOM 754 C GLN A 52 -0.861 -11.631 10.005 1.00 0.00 C ATOM 755 O GLN A 52 -1.218 -10.660 9.361 1.00 0.00 O ATOM 756 CB GLN A 52 1.563 -11.918 9.374 1.00 0.00 C ATOM 757 CG GLN A 52 2.588 -10.782 9.412 1.00 0.00 C ATOM 758 CD GLN A 52 1.865 -9.436 9.319 1.00 0.00 C ATOM 759 OE1 GLN A 52 0.835 -9.315 8.529 1.00 0.00 O flip ATOM 760 NE2 GLN A 52 2.243 -8.484 9.973 1.00 0.00 N flip ATOM 0 H GLN A 52 1.048 -13.808 10.833 1.00 0.00 H new ATOM 0 HA GLN A 52 0.775 -10.848 11.105 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.068 -12.881 9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.032 -11.911 8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.168 -10.832 10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.292 -10.886 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.049 -8.578 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.754 -7.591 9.904 1.00 0.00 H new ATOM 769 N PHE A 53 -1.695 -12.603 10.276 1.00 0.00 N ATOM 770 CA PHE A 53 -3.101 -12.525 9.792 1.00 0.00 C ATOM 771 C PHE A 53 -3.960 -11.753 10.796 1.00 0.00 C ATOM 772 O PHE A 53 -3.897 -11.983 11.988 1.00 0.00 O ATOM 773 CB PHE A 53 -3.573 -13.975 9.704 1.00 0.00 C ATOM 774 CG PHE A 53 -2.961 -14.639 8.495 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.586 -14.897 8.460 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.770 -15.003 7.412 1.00 0.00 C ATOM 777 CE1 PHE A 53 -1.019 -15.518 7.343 1.00 0.00 C ATOM 778 CE2 PHE A 53 -3.203 -15.626 6.295 1.00 0.00 C ATOM 779 CZ PHE A 53 -1.828 -15.883 6.260 1.00 0.00 C ATOM 0 H PHE A 53 -1.462 -13.441 10.808 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.178 -12.010 8.835 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.291 -14.514 10.608 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.660 -14.010 9.638 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.963 -14.616 9.296 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.831 -14.803 7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.042 -15.716 7.316 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.827 -15.909 5.460 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.390 -16.363 5.397 1.00 0.00 H new ATOM 789 N LYS A 54 -4.770 -10.847 10.325 1.00 0.00 N ATOM 790 CA LYS A 54 -5.637 -10.072 11.256 1.00 0.00 C ATOM 791 C LYS A 54 -7.106 -10.310 10.907 1.00 0.00 C ATOM 792 O LYS A 54 -7.478 -10.372 9.753 1.00 0.00 O ATOM 793 CB LYS A 54 -5.252 -8.610 11.033 1.00 0.00 C ATOM 794 CG LYS A 54 -5.606 -7.792 12.276 1.00 0.00 C ATOM 795 CD LYS A 54 -7.004 -7.193 12.107 1.00 0.00 C ATOM 796 CE LYS A 54 -7.048 -5.809 12.757 1.00 0.00 C ATOM 797 NZ LYS A 54 -8.413 -5.707 13.345 1.00 0.00 N ATOM 0 H LYS A 54 -4.869 -10.610 9.338 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.505 -10.365 12.298 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.185 -8.532 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.776 -8.214 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.574 -8.425 13.163 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.873 -6.999 12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.253 -7.117 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.748 -7.845 12.564 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.279 -5.707 13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.874 -5.022 12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.522 -4.783 13.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.124 -5.801 12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.547 -6.465 14.044 1.00 0.00 H new ATOM 811 N SER A 55 -7.943 -10.462 11.896 1.00 0.00 N ATOM 812 CA SER A 55 -9.385 -10.713 11.616 1.00 0.00 C ATOM 813 C SER A 55 -10.019 -9.524 10.904 1.00 0.00 C ATOM 814 O SER A 55 -9.398 -8.504 10.683 1.00 0.00 O ATOM 815 CB SER A 55 -10.039 -10.911 12.980 1.00 0.00 C ATOM 816 OG SER A 55 -9.725 -9.810 13.820 1.00 0.00 O ATOM 0 H SER A 55 -7.692 -10.423 12.884 1.00 0.00 H new ATOM 0 HA SER A 55 -9.515 -11.578 10.966 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.120 -11.000 12.868 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.688 -11.839 13.432 1.00 0.00 H new ATOM 0 HG SER A 55 -10.146 -9.936 14.696 1.00 0.00 H new ATOM 822 N ILE A 56 -11.264 -9.661 10.555 1.00 0.00 N ATOM 823 CA ILE A 56 -11.990 -8.559 9.857 1.00 0.00 C ATOM 824 C ILE A 56 -13.500 -8.745 10.033 1.00 0.00 C ATOM 825 O ILE A 56 -14.154 -9.384 9.233 1.00 0.00 O ATOM 826 CB ILE A 56 -11.602 -8.666 8.373 1.00 0.00 C ATOM 827 CG1 ILE A 56 -11.642 -10.128 7.921 1.00 0.00 C ATOM 828 CG2 ILE A 56 -10.190 -8.114 8.174 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.352 -10.207 6.423 1.00 0.00 C ATOM 0 H ILE A 56 -11.820 -10.499 10.724 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.730 -7.580 10.260 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.311 -8.089 7.779 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.907 -10.711 8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.620 -10.560 8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.915 -8.190 7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -10.161 -7.069 8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.486 -8.689 8.776 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.380 -11.248 6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -12.104 -9.638 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.365 -9.792 6.221 1.00 0.00 H new