USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 595 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: C 13 HIS : no HD1:sc= -0.224 X(o=-0.52,f=-0.3) USER MOD Set 1.2: C 15 GLN : amide:sc= -0.297 X(o=-0.52,f=-0.62) USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.226 X(o=-0.5,f=-0.29) USER MOD Set 2.2: A 15 GLN : amide:sc= -0.275 X(o=-0.5,f=-0.54) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -0.0401 (180deg=-0.329) USER MOD Single : A 35 MET CE :methyl -139:sc= -0.111 (180deg=-0.504) USER MOD Single : B 35 MET CE :methyl -161:sc= -0.11 (180deg=-0.605) USER MOD Single : C 10 TYR OH : rot 180:sc= 0 USER MOD Single : C 14 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : C 16 LYS NZ :NH3+ -166:sc= -0.0684 (180deg=-0.272) USER MOD Single : C 35 MET CE :methyl -162:sc= -0.0949 (180deg=-0.526) USER MOD Single : D 35 MET CE :methyl -161:sc= -0.104 (180deg=-0.522) USER MOD ----------------------------------------------------------------- ATOM 132 N TYR A 10 22.117 6.025 -4.661 1.00 0.00 N ATOM 133 CA TYR A 10 20.854 5.313 -4.721 1.00 0.00 C ATOM 134 C TYR A 10 19.931 5.912 -5.773 1.00 0.00 C ATOM 135 O TYR A 10 20.022 7.097 -6.093 1.00 0.00 O ATOM 136 CB TYR A 10 20.160 5.338 -3.352 1.00 0.00 C ATOM 137 CG TYR A 10 19.640 6.702 -2.942 1.00 0.00 C ATOM 138 CD1 TYR A 10 20.476 7.641 -2.354 1.00 0.00 C ATOM 139 CD2 TYR A 10 18.308 7.048 -3.146 1.00 0.00 C ATOM 140 CE1 TYR A 10 20.000 8.884 -1.979 1.00 0.00 C ATOM 141 CE2 TYR A 10 17.827 8.288 -2.776 1.00 0.00 C ATOM 142 CZ TYR A 10 18.676 9.202 -2.195 1.00 0.00 C ATOM 143 OH TYR A 10 18.199 10.438 -1.826 1.00 0.00 O ATOM 0 HA TYR A 10 21.069 4.281 -4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 10 19.328 4.634 -3.366 1.00 0.00 H new ATOM 0 HB3 TYR A 10 20.862 4.987 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.515 7.397 -2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.638 6.334 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 10 20.662 9.602 -1.519 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.790 8.539 -2.942 1.00 0.00 H new ATOM 0 HH TYR A 10 17.247 10.501 -2.049 1.00 0.00 H new ATOM 153 N GLU A 11 19.052 5.076 -6.301 1.00 0.00 N ATOM 154 CA GLU A 11 17.998 5.516 -7.200 1.00 0.00 C ATOM 155 C GLU A 11 16.651 5.347 -6.513 1.00 0.00 C ATOM 156 O GLU A 11 16.354 4.283 -5.971 1.00 0.00 O ATOM 157 CB GLU A 11 18.027 4.707 -8.501 1.00 0.00 C ATOM 158 CG GLU A 11 19.198 5.044 -9.407 1.00 0.00 C ATOM 159 CD GLU A 11 19.053 6.404 -10.060 1.00 0.00 C ATOM 160 OE1 GLU A 11 18.581 6.459 -11.213 1.00 0.00 O ATOM 161 OE2 GLU A 11 19.410 7.415 -9.425 1.00 0.00 O ATOM 0 H GLU A 11 19.049 4.073 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 11 18.155 6.566 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.063 3.645 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.098 4.878 -9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.121 5.019 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.287 4.281 -10.180 1.00 0.00 H new ATOM 168 N VAL A 12 15.844 6.392 -6.523 1.00 0.00 N ATOM 169 CA VAL A 12 14.546 6.348 -5.869 1.00 0.00 C ATOM 170 C VAL A 12 13.423 6.424 -6.900 1.00 0.00 C ATOM 171 O VAL A 12 13.475 7.227 -7.833 1.00 0.00 O ATOM 172 CB VAL A 12 14.399 7.483 -4.828 1.00 0.00 C ATOM 173 CG1 VAL A 12 14.569 8.850 -5.475 1.00 0.00 C ATOM 174 CG2 VAL A 12 13.061 7.391 -4.111 1.00 0.00 C ATOM 0 H VAL A 12 16.062 7.280 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 12 14.474 5.397 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 12 15.192 7.360 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.460 9.627 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.559 8.919 -5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.810 8.985 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.981 8.199 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.253 7.475 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.989 6.433 -3.597 1.00 0.00 H new ATOM 184 N HIS A 13 12.423 5.569 -6.741 1.00 0.00 N ATOM 185 CA HIS A 13 11.306 5.525 -7.669 1.00 0.00 C ATOM 186 C HIS A 13 9.992 5.306 -6.925 1.00 0.00 C ATOM 187 O HIS A 13 9.906 4.469 -6.028 1.00 0.00 O ATOM 188 CB HIS A 13 11.522 4.412 -8.702 1.00 0.00 C ATOM 189 CG HIS A 13 10.424 4.296 -9.720 1.00 0.00 C ATOM 190 ND1 HIS A 13 9.597 3.200 -9.811 1.00 0.00 N ATOM 191 CD2 HIS A 13 10.031 5.141 -10.700 1.00 0.00 C ATOM 192 CE1 HIS A 13 8.743 3.374 -10.801 1.00 0.00 C ATOM 193 NE2 HIS A 13 8.985 4.545 -11.357 1.00 0.00 N ATOM 0 H HIS A 13 12.364 4.896 -5.977 1.00 0.00 H new ATOM 0 HA HIS A 13 11.251 6.483 -8.186 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.465 4.590 -9.219 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.620 3.460 -8.179 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.461 6.106 -10.924 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.976 2.676 -11.104 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.477 4.943 -12.147 1.00 0.00 H new ATOM 202 N HIS A 14 8.980 6.069 -7.301 1.00 0.00 N ATOM 203 CA HIS A 14 7.644 5.909 -6.753 1.00 0.00 C ATOM 204 C HIS A 14 6.677 5.605 -7.887 1.00 0.00 C ATOM 205 O HIS A 14 6.749 6.217 -8.949 1.00 0.00 O ATOM 206 CB HIS A 14 7.221 7.182 -6.009 1.00 0.00 C ATOM 207 CG HIS A 14 5.833 7.137 -5.435 1.00 0.00 C ATOM 208 ND1 HIS A 14 5.540 6.608 -4.197 1.00 0.00 N ATOM 209 CD2 HIS A 14 4.657 7.590 -5.932 1.00 0.00 C ATOM 210 CE1 HIS A 14 4.248 6.739 -3.960 1.00 0.00 C ATOM 211 NE2 HIS A 14 3.685 7.335 -4.995 1.00 0.00 N ATOM 0 H HIS A 14 9.061 6.815 -7.992 1.00 0.00 H new ATOM 0 HA HIS A 14 7.635 5.083 -6.042 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.929 7.367 -5.201 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.290 8.027 -6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.510 8.065 -6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.736 6.413 -3.067 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.696 7.567 -5.084 1.00 0.00 H new ATOM 220 N GLN A 15 5.791 4.653 -7.668 1.00 0.00 N ATOM 221 CA GLN A 15 4.826 4.272 -8.684 1.00 0.00 C ATOM 222 C GLN A 15 3.442 4.129 -8.071 1.00 0.00 C ATOM 223 O GLN A 15 3.284 3.529 -7.008 1.00 0.00 O ATOM 224 CB GLN A 15 5.254 2.958 -9.340 1.00 0.00 C ATOM 225 CG GLN A 15 4.361 2.519 -10.487 1.00 0.00 C ATOM 226 CD GLN A 15 4.801 1.200 -11.090 1.00 0.00 C ATOM 227 OE1 GLN A 15 5.987 0.868 -11.099 1.00 0.00 O ATOM 228 NE2 GLN A 15 3.848 0.442 -11.599 1.00 0.00 N ATOM 0 H GLN A 15 5.718 4.129 -6.796 1.00 0.00 H new ATOM 0 HA GLN A 15 4.788 5.052 -9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.275 3.063 -9.708 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.267 2.174 -8.583 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.335 2.428 -10.131 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.363 3.287 -11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.878 0.755 -11.571 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.082 -0.457 -12.021 1.00 0.00 H new ATOM 237 N LYS A 16 2.446 4.693 -8.731 1.00 0.00 N ATOM 238 CA LYS A 16 1.076 4.606 -8.259 1.00 0.00 C ATOM 239 C LYS A 16 0.188 3.981 -9.326 1.00 0.00 C ATOM 240 O LYS A 16 0.272 4.333 -10.500 1.00 0.00 O ATOM 241 CB LYS A 16 0.552 5.994 -7.870 1.00 0.00 C ATOM 242 CG LYS A 16 0.587 7.010 -9.000 1.00 0.00 C ATOM 243 CD LYS A 16 0.106 8.373 -8.535 1.00 0.00 C ATOM 244 CE LYS A 16 0.127 9.391 -9.666 1.00 0.00 C ATOM 245 NZ LYS A 16 1.473 9.511 -10.283 1.00 0.00 N ATOM 0 H LYS A 16 2.561 5.218 -9.598 1.00 0.00 H new ATOM 0 HA LYS A 16 1.054 3.971 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.474 5.897 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.143 6.373 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.603 7.093 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.038 6.663 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.907 8.287 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.737 8.723 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.596 9.101 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.185 10.363 -9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.509 10.365 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.193 9.578 -9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.661 8.674 -10.871 1.00 0.00 H new ATOM 259 N LEU A 17 -0.640 3.037 -8.916 1.00 0.00 N ATOM 260 CA LEU A 17 -1.564 2.380 -9.826 1.00 0.00 C ATOM 261 C LEU A 17 -2.975 2.443 -9.263 1.00 0.00 C ATOM 262 O LEU A 17 -3.227 1.985 -8.148 1.00 0.00 O ATOM 263 CB LEU A 17 -1.152 0.922 -10.054 1.00 0.00 C ATOM 264 CG LEU A 17 0.214 0.720 -10.714 1.00 0.00 C ATOM 265 CD1 LEU A 17 0.560 -0.758 -10.769 1.00 0.00 C ATOM 266 CD2 LEU A 17 0.227 1.317 -12.114 1.00 0.00 C ATOM 0 H LEU A 17 -0.692 2.706 -7.953 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.537 2.898 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.151 0.408 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.910 0.441 -10.672 1.00 0.00 H new ATOM 0 HG LEU A 17 0.965 1.234 -10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.534 -0.886 -11.241 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.591 -1.162 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.196 -1.287 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.207 1.163 -12.566 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.535 0.831 -12.724 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.018 2.385 -12.056 1.00 0.00 H new ATOM 278 N VAL A 18 -3.886 3.029 -10.023 1.00 0.00 N ATOM 279 CA VAL A 18 -5.270 3.152 -9.593 1.00 0.00 C ATOM 280 C VAL A 18 -6.215 2.563 -10.633 1.00 0.00 C ATOM 281 O VAL A 18 -6.030 2.747 -11.838 1.00 0.00 O ATOM 282 CB VAL A 18 -5.658 4.623 -9.312 1.00 0.00 C ATOM 283 CG1 VAL A 18 -4.908 5.154 -8.100 1.00 0.00 C ATOM 284 CG2 VAL A 18 -5.390 5.500 -10.525 1.00 0.00 C ATOM 0 H VAL A 18 -3.692 3.427 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.364 2.592 -8.663 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.727 4.652 -9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.195 6.190 -7.920 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.156 4.551 -7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.835 5.102 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.672 6.529 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.330 5.461 -10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.976 5.140 -11.371 1.00 0.00 H new ATOM 294 N PHE A 19 -7.212 1.834 -10.157 1.00 0.00 N ATOM 295 CA PHE A 19 -8.212 1.231 -11.022 1.00 0.00 C ATOM 296 C PHE A 19 -9.595 1.445 -10.424 1.00 0.00 C ATOM 297 O PHE A 19 -9.779 1.330 -9.210 1.00 0.00 O ATOM 298 CB PHE A 19 -7.946 -0.270 -11.199 1.00 0.00 C ATOM 299 CG PHE A 19 -6.599 -0.591 -11.789 1.00 0.00 C ATOM 300 CD1 PHE A 19 -6.404 -0.560 -13.162 1.00 0.00 C ATOM 301 CD2 PHE A 19 -5.531 -0.926 -10.972 1.00 0.00 C ATOM 302 CE1 PHE A 19 -5.170 -0.857 -13.706 1.00 0.00 C ATOM 303 CE2 PHE A 19 -4.294 -1.224 -11.511 1.00 0.00 C ATOM 304 CZ PHE A 19 -4.113 -1.189 -12.881 1.00 0.00 C ATOM 0 H PHE A 19 -7.350 1.645 -9.164 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.159 1.705 -12.002 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.032 -0.760 -10.229 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.721 -0.692 -11.839 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.226 -0.301 -13.813 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.667 -0.955 -9.901 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.031 -0.830 -14.777 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.470 -1.484 -10.863 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.147 -1.421 -13.305 1.00 0.00 H new ATOM 314 N PHE A 20 -10.565 1.760 -11.265 1.00 0.00 N ATOM 315 CA PHE A 20 -11.911 2.035 -10.789 1.00 0.00 C ATOM 316 C PHE A 20 -12.948 1.288 -11.615 1.00 0.00 C ATOM 317 O PHE A 20 -12.892 1.266 -12.844 1.00 0.00 O ATOM 318 CB PHE A 20 -12.196 3.544 -10.796 1.00 0.00 C ATOM 319 CG PHE A 20 -12.024 4.207 -12.138 1.00 0.00 C ATOM 320 CD1 PHE A 20 -13.120 4.456 -12.951 1.00 0.00 C ATOM 321 CD2 PHE A 20 -10.768 4.585 -12.582 1.00 0.00 C ATOM 322 CE1 PHE A 20 -12.964 5.069 -14.179 1.00 0.00 C ATOM 323 CE2 PHE A 20 -10.606 5.198 -13.808 1.00 0.00 C ATOM 324 CZ PHE A 20 -11.705 5.440 -14.609 1.00 0.00 C ATOM 0 H PHE A 20 -10.448 1.832 -12.276 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.980 1.679 -9.761 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.217 3.710 -10.451 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.535 4.029 -10.078 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -14.107 4.167 -12.620 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.904 4.398 -11.961 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.826 5.258 -14.802 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.620 5.488 -14.141 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.580 5.918 -15.569 1.00 0.00 H new ATOM 334 N ALA A 21 -13.880 0.660 -10.922 1.00 0.00 N ATOM 335 CA ALA A 21 -14.980 -0.033 -11.561 1.00 0.00 C ATOM 336 C ALA A 21 -16.298 0.585 -11.123 1.00 0.00 C ATOM 337 O ALA A 21 -16.550 0.751 -9.928 1.00 0.00 O ATOM 338 CB ALA A 21 -14.949 -1.516 -11.213 1.00 0.00 C ATOM 0 H ALA A 21 -13.895 0.617 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.881 0.067 -12.642 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.782 -2.022 -11.701 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.010 -1.951 -11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -15.033 -1.638 -10.133 1.00 0.00 H new ATOM 441 N GLY A 29 -20.125 -0.454 -6.899 1.00 0.00 N ATOM 442 CA GLY A 29 -18.927 0.103 -7.502 1.00 0.00 C ATOM 443 C GLY A 29 -17.693 -0.200 -6.674 1.00 0.00 C ATOM 444 O GLY A 29 -17.794 -0.409 -5.468 1.00 0.00 O ATOM 0 HA2 GLY A 29 -18.801 -0.303 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.040 1.182 -7.607 1.00 0.00 H new ATOM 448 N ALA A 30 -16.526 -0.223 -7.303 1.00 0.00 N ATOM 449 CA ALA A 30 -15.299 -0.571 -6.598 1.00 0.00 C ATOM 450 C ALA A 30 -14.125 0.274 -7.066 1.00 0.00 C ATOM 451 O ALA A 30 -13.884 0.413 -8.262 1.00 0.00 O ATOM 452 CB ALA A 30 -14.981 -2.048 -6.777 1.00 0.00 C ATOM 0 H ALA A 30 -16.402 -0.007 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.461 -0.366 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.062 -2.289 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -15.800 -2.647 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -14.854 -2.267 -7.837 1.00 0.00 H new ATOM 458 N ILE A 31 -13.401 0.839 -6.115 1.00 0.00 N ATOM 459 CA ILE A 31 -12.204 1.610 -6.416 1.00 0.00 C ATOM 460 C ILE A 31 -11.013 1.003 -5.690 1.00 0.00 C ATOM 461 O ILE A 31 -11.077 0.756 -4.485 1.00 0.00 O ATOM 462 CB ILE A 31 -12.339 3.106 -6.014 1.00 0.00 C ATOM 463 CG1 ILE A 31 -13.414 3.821 -6.846 1.00 0.00 C ATOM 464 CG2 ILE A 31 -11.005 3.827 -6.165 1.00 0.00 C ATOM 465 CD1 ILE A 31 -14.832 3.565 -6.381 1.00 0.00 C ATOM 0 H ILE A 31 -13.622 0.778 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.059 1.572 -7.496 1.00 0.00 H new ATOM 0 HB ILE A 31 -12.644 3.133 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -13.223 4.894 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -13.322 3.506 -7.885 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.122 4.872 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.262 3.355 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -10.676 3.770 -7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -15.528 4.106 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.045 2.497 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -14.945 3.907 -5.352 1.00 0.00 H new ATOM 477 N ILE A 32 -9.941 0.743 -6.424 1.00 0.00 N ATOM 478 CA ILE A 32 -8.735 0.182 -5.838 1.00 0.00 C ATOM 479 C ILE A 32 -7.509 0.979 -6.273 1.00 0.00 C ATOM 480 O ILE A 32 -7.380 1.359 -7.438 1.00 0.00 O ATOM 481 CB ILE A 32 -8.559 -1.314 -6.209 1.00 0.00 C ATOM 482 CG1 ILE A 32 -7.286 -1.882 -5.569 1.00 0.00 C ATOM 483 CG2 ILE A 32 -8.528 -1.500 -7.721 1.00 0.00 C ATOM 484 CD1 ILE A 32 -7.113 -3.373 -5.768 1.00 0.00 C ATOM 0 H ILE A 32 -9.883 0.912 -7.428 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.837 0.247 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.416 -1.863 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.420 -1.367 -5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.301 -1.667 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.404 -2.557 -7.955 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.463 -1.141 -8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.695 -0.935 -8.140 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.191 -3.700 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.959 -3.900 -5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.065 -3.595 -6.834 1.00 0.00 H new ATOM 496 N GLY A 33 -6.626 1.248 -5.329 1.00 0.00 N ATOM 497 CA GLY A 33 -5.419 1.983 -5.632 1.00 0.00 C ATOM 498 C GLY A 33 -4.254 1.514 -4.795 1.00 0.00 C ATOM 499 O GLY A 33 -4.425 1.168 -3.625 1.00 0.00 O ATOM 0 H GLY A 33 -6.724 0.969 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.178 1.867 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.587 3.046 -5.458 1.00 0.00 H new ATOM 503 N LEU A 34 -3.075 1.475 -5.394 1.00 0.00 N ATOM 504 CA LEU A 34 -1.874 1.072 -4.683 1.00 0.00 C ATOM 505 C LEU A 34 -0.695 1.941 -5.090 1.00 0.00 C ATOM 506 O LEU A 34 -0.549 2.306 -6.257 1.00 0.00 O ATOM 507 CB LEU A 34 -1.544 -0.411 -4.925 1.00 0.00 C ATOM 508 CG LEU A 34 -1.263 -0.813 -6.378 1.00 0.00 C ATOM 509 CD1 LEU A 34 -0.417 -2.075 -6.419 1.00 0.00 C ATOM 510 CD2 LEU A 34 -2.562 -1.037 -7.140 1.00 0.00 C ATOM 0 H LEU A 34 -2.924 1.718 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.064 1.206 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.673 -0.671 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.376 -1.012 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.717 0.001 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.224 -2.350 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.530 -1.895 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.949 -2.886 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.337 -1.321 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.133 -1.832 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.148 -0.118 -7.138 1.00 0.00 H new ATOM 522 N MET A 35 0.131 2.284 -4.119 1.00 0.00 N ATOM 523 CA MET A 35 1.317 3.086 -4.362 1.00 0.00 C ATOM 524 C MET A 35 2.536 2.382 -3.793 1.00 0.00 C ATOM 525 O MET A 35 2.531 1.950 -2.639 1.00 0.00 O ATOM 526 CB MET A 35 1.176 4.472 -3.731 1.00 0.00 C ATOM 527 CG MET A 35 0.015 5.278 -4.286 1.00 0.00 C ATOM 528 SD MET A 35 -0.088 6.929 -3.573 1.00 0.00 S ATOM 529 CE MET A 35 -0.379 6.551 -1.845 1.00 0.00 C ATOM 0 H MET A 35 0.000 2.016 -3.144 1.00 0.00 H new ATOM 0 HA MET A 35 1.437 3.210 -5.438 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.048 4.360 -2.654 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.100 5.028 -3.886 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.119 5.360 -5.368 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.916 4.745 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 35 -1.123 7.238 -1.442 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.743 5.528 -1.753 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.552 6.657 -1.288 1.00 0.00 H new ATOM 539 N VAL A 36 3.569 2.255 -4.606 1.00 0.00 N ATOM 540 CA VAL A 36 4.782 1.576 -4.192 1.00 0.00 C ATOM 541 C VAL A 36 5.979 2.508 -4.310 1.00 0.00 C ATOM 542 O VAL A 36 6.163 3.174 -5.332 1.00 0.00 O ATOM 543 CB VAL A 36 5.046 0.313 -5.042 1.00 0.00 C ATOM 544 CG1 VAL A 36 6.263 -0.439 -4.523 1.00 0.00 C ATOM 545 CG2 VAL A 36 3.821 -0.592 -5.067 1.00 0.00 C ATOM 0 H VAL A 36 3.591 2.615 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 36 4.644 1.277 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 36 5.251 0.630 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.432 -1.325 -5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.139 0.208 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.091 -0.740 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.032 -1.474 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.575 -0.899 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.978 -0.051 -5.497 1.00 0.00 H new ATOM 555 N GLY A 37 6.777 2.559 -3.258 1.00 0.00 N ATOM 556 CA GLY A 37 7.997 3.330 -3.289 1.00 0.00 C ATOM 557 C GLY A 37 9.206 2.441 -3.129 1.00 0.00 C ATOM 558 O GLY A 37 9.249 1.610 -2.220 1.00 0.00 O ATOM 0 H GLY A 37 6.599 2.076 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.064 3.873 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.981 4.074 -2.493 1.00 0.00 H new ATOM 562 N GLY A 38 10.182 2.603 -4.005 1.00 0.00 N ATOM 563 CA GLY A 38 11.352 1.754 -3.969 1.00 0.00 C ATOM 564 C GLY A 38 12.641 2.537 -4.054 1.00 0.00 C ATOM 565 O GLY A 38 12.708 3.570 -4.727 1.00 0.00 O ATOM 0 H GLY A 38 10.186 3.308 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.345 1.171 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.307 1.045 -4.795 1.00 0.00 H new ATOM 569 N VAL A 39 13.660 2.049 -3.365 1.00 0.00 N ATOM 570 CA VAL A 39 14.971 2.679 -3.373 1.00 0.00 C ATOM 571 C VAL A 39 16.045 1.643 -3.683 1.00 0.00 C ATOM 572 O VAL A 39 16.183 0.644 -2.974 1.00 0.00 O ATOM 573 CB VAL A 39 15.291 3.359 -2.021 1.00 0.00 C ATOM 574 CG1 VAL A 39 16.686 3.962 -2.036 1.00 0.00 C ATOM 575 CG2 VAL A 39 14.257 4.428 -1.693 1.00 0.00 C ATOM 0 H VAL A 39 13.603 1.210 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 39 14.959 3.448 -4.145 1.00 0.00 H new ATOM 0 HB VAL A 39 15.254 2.594 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.888 4.435 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.420 3.177 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.751 4.708 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 39 14.504 4.892 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.257 5.187 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.269 3.972 -1.630 1.00 0.00 H new ATOM 585 N VAL A 40 16.786 1.880 -4.754 1.00 0.00 N ATOM 586 CA VAL A 40 17.859 0.991 -5.165 1.00 0.00 C ATOM 587 C VAL A 40 19.207 1.606 -4.813 1.00 0.00 C ATOM 588 O VAL A 40 19.648 2.560 -5.452 1.00 0.00 O ATOM 589 CB VAL A 40 17.806 0.714 -6.685 1.00 0.00 C ATOM 590 CG1 VAL A 40 18.917 -0.237 -7.106 1.00 0.00 C ATOM 591 CG2 VAL A 40 16.446 0.161 -7.082 1.00 0.00 C ATOM 0 H VAL A 40 16.661 2.691 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 40 17.732 0.047 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 40 17.958 1.660 -7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.856 -0.415 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 40 19.884 0.204 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.807 -1.183 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 16.429 -0.027 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 40 16.262 -0.771 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.671 0.884 -6.828 1.00 0.00 H new ATOM 601 N ILE A 41 19.848 1.069 -3.789 1.00 0.00 N ATOM 602 CA ILE A 41 21.134 1.576 -3.338 1.00 0.00 C ATOM 603 C ILE A 41 22.254 0.687 -3.864 1.00 0.00 C ATOM 604 O ILE A 41 22.107 -0.532 -3.915 1.00 0.00 O ATOM 605 CB ILE A 41 21.208 1.628 -1.796 1.00 0.00 C ATOM 606 CG1 ILE A 41 19.951 2.287 -1.218 1.00 0.00 C ATOM 607 CG2 ILE A 41 22.453 2.386 -1.351 1.00 0.00 C ATOM 608 CD1 ILE A 41 19.908 2.295 0.295 1.00 0.00 C ATOM 0 H ILE A 41 19.497 0.277 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 41 21.248 2.589 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 41 21.267 0.607 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 41 19.891 3.314 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 41 19.072 1.764 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 41 22.492 2.415 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 41 23.341 1.883 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 41 22.418 3.404 -1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 41 18.990 2.777 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 41 19.936 1.270 0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 41 20.768 2.843 0.681 1.00 0.00 H new ATOM 1079 N ALA B 30 21.571 -2.768 -2.319 1.00 0.00 N ATOM 1080 CA ALA B 30 20.374 -3.089 -1.554 1.00 0.00 C ATOM 1081 C ALA B 30 19.144 -2.435 -2.171 1.00 0.00 C ATOM 1082 O ALA B 30 19.194 -1.285 -2.608 1.00 0.00 O ATOM 1083 CB ALA B 30 20.536 -2.646 -0.106 1.00 0.00 C ATOM 0 HA ALA B 30 20.235 -4.170 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA B 30 19.633 -2.893 0.453 1.00 0.00 H new ATOM 0 HB2 ALA B 30 21.389 -3.159 0.338 1.00 0.00 H new ATOM 0 HB3 ALA B 30 20.701 -1.569 -0.071 1.00 0.00 H new ATOM 1089 N ILE B 31 18.042 -3.167 -2.202 1.00 0.00 N ATOM 1090 CA ILE B 31 16.806 -2.662 -2.780 1.00 0.00 C ATOM 1091 C ILE B 31 15.655 -2.804 -1.790 1.00 0.00 C ATOM 1092 O ILE B 31 15.340 -3.908 -1.346 1.00 0.00 O ATOM 1093 CB ILE B 31 16.443 -3.407 -4.085 1.00 0.00 C ATOM 1094 CG1 ILE B 31 17.582 -3.290 -5.103 1.00 0.00 C ATOM 1095 CG2 ILE B 31 15.146 -2.857 -4.669 1.00 0.00 C ATOM 1096 CD1 ILE B 31 17.339 -4.056 -6.387 1.00 0.00 C ATOM 0 H ILE B 31 17.978 -4.116 -1.833 1.00 0.00 H new ATOM 0 HA ILE B 31 16.966 -1.609 -3.011 1.00 0.00 H new ATOM 0 HB ILE B 31 16.296 -4.462 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE B 31 17.735 -2.238 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE B 31 18.503 -3.650 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE B 31 14.905 -3.392 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE B 31 14.338 -2.989 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE B 31 15.267 -1.796 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE B 31 18.189 -3.924 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE B 31 17.216 -5.115 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE B 31 16.436 -3.681 -6.869 1.00 0.00 H new ATOM 1108 N ILE B 32 15.039 -1.687 -1.436 1.00 0.00 N ATOM 1109 CA ILE B 32 13.891 -1.710 -0.542 1.00 0.00 C ATOM 1110 C ILE B 32 12.648 -1.209 -1.265 1.00 0.00 C ATOM 1111 O ILE B 32 12.743 -0.385 -2.177 1.00 0.00 O ATOM 1112 CB ILE B 32 14.139 -0.885 0.751 1.00 0.00 C ATOM 1113 CG1 ILE B 32 14.452 0.589 0.444 1.00 0.00 C ATOM 1114 CG2 ILE B 32 15.271 -1.502 1.561 1.00 0.00 C ATOM 1115 CD1 ILE B 32 13.226 1.476 0.332 1.00 0.00 C ATOM 0 H ILE B 32 15.313 -0.757 -1.752 1.00 0.00 H new ATOM 0 HA ILE B 32 13.735 -2.745 -0.238 1.00 0.00 H new ATOM 0 HB ILE B 32 13.219 -0.911 1.335 1.00 0.00 H new ATOM 0 HG12 ILE B 32 15.100 0.982 1.227 1.00 0.00 H new ATOM 0 HG13 ILE B 32 15.012 0.643 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE B 32 15.434 -0.914 2.464 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.007 -2.523 1.835 1.00 0.00 H new ATOM 0 HG23 ILE B 32 16.183 -1.511 0.964 1.00 0.00 H new ATOM 0 HD11 ILE B 32 13.535 2.498 0.114 1.00 0.00 H new ATOM 0 HD12 ILE B 32 12.586 1.112 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE B 32 12.675 1.456 1.272 1.00 0.00 H new ATOM 1127 N GLY B 33 11.493 -1.725 -0.876 1.00 0.00 N ATOM 1128 CA GLY B 33 10.249 -1.297 -1.478 1.00 0.00 C ATOM 1129 C GLY B 33 9.084 -1.408 -0.519 1.00 0.00 C ATOM 1130 O GLY B 33 8.894 -2.444 0.119 1.00 0.00 O ATOM 0 H GLY B 33 11.395 -2.436 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY B 33 10.345 -0.264 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY B 33 10.048 -1.901 -2.363 1.00 0.00 H new ATOM 1134 N LEU B 34 8.309 -0.342 -0.407 1.00 0.00 N ATOM 1135 CA LEU B 34 7.145 -0.332 0.465 1.00 0.00 C ATOM 1136 C LEU B 34 5.877 -0.174 -0.359 1.00 0.00 C ATOM 1137 O LEU B 34 5.815 0.663 -1.260 1.00 0.00 O ATOM 1138 CB LEU B 34 7.252 0.792 1.496 1.00 0.00 C ATOM 1139 CG LEU B 34 8.418 0.668 2.478 1.00 0.00 C ATOM 1140 CD1 LEU B 34 8.450 1.862 3.416 1.00 0.00 C ATOM 1141 CD2 LEU B 34 8.318 -0.628 3.272 1.00 0.00 C ATOM 0 H LEU B 34 8.465 0.531 -0.911 1.00 0.00 H new ATOM 0 HA LEU B 34 7.104 -1.282 0.998 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.343 1.741 0.967 1.00 0.00 H new ATOM 0 HB3 LEU B 34 6.323 0.832 2.064 1.00 0.00 H new ATOM 0 HG LEU B 34 9.346 0.649 1.907 1.00 0.00 H new ATOM 0 HD11 LEU B 34 9.285 1.758 4.108 1.00 0.00 H new ATOM 0 HD12 LEU B 34 8.571 2.777 2.836 1.00 0.00 H new ATOM 0 HD13 LEU B 34 7.517 1.909 3.978 1.00 0.00 H new ATOM 0 HD21 LEU B 34 9.157 -0.696 3.964 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.383 -0.640 3.832 1.00 0.00 H new ATOM 0 HD23 LEU B 34 8.342 -1.476 2.588 1.00 0.00 H new ATOM 1153 N MET B 35 4.874 -0.980 -0.049 1.00 0.00 N ATOM 1154 CA MET B 35 3.645 -1.010 -0.827 1.00 0.00 C ATOM 1155 C MET B 35 2.447 -0.646 0.041 1.00 0.00 C ATOM 1156 O MET B 35 2.203 -1.270 1.075 1.00 0.00 O ATOM 1157 CB MET B 35 3.439 -2.404 -1.432 1.00 0.00 C ATOM 1158 CG MET B 35 4.607 -2.890 -2.276 1.00 0.00 C ATOM 1159 SD MET B 35 4.318 -4.514 -3.011 1.00 0.00 S ATOM 1160 CE MET B 35 4.135 -5.526 -1.545 1.00 0.00 C ATOM 0 H MET B 35 4.887 -1.626 0.740 1.00 0.00 H new ATOM 0 HA MET B 35 3.731 -0.277 -1.629 1.00 0.00 H new ATOM 0 HB2 MET B 35 3.265 -3.117 -0.626 1.00 0.00 H new ATOM 0 HB3 MET B 35 2.539 -2.393 -2.047 1.00 0.00 H new ATOM 0 HG2 MET B 35 4.801 -2.168 -3.069 1.00 0.00 H new ATOM 0 HG3 MET B 35 5.503 -2.932 -1.657 1.00 0.00 H new ATOM 0 HE1 MET B 35 4.288 -6.574 -1.805 1.00 0.00 H new ATOM 0 HE2 MET B 35 4.872 -5.225 -0.801 1.00 0.00 H new ATOM 0 HE3 MET B 35 3.133 -5.396 -1.136 1.00 0.00 H new ATOM 1170 N VAL B 36 1.715 0.377 -0.368 1.00 0.00 N ATOM 1171 CA VAL B 36 0.495 0.766 0.321 1.00 0.00 C ATOM 1172 C VAL B 36 -0.676 0.731 -0.654 1.00 0.00 C ATOM 1173 O VAL B 36 -0.619 1.353 -1.714 1.00 0.00 O ATOM 1174 CB VAL B 36 0.609 2.183 0.930 1.00 0.00 C ATOM 1175 CG1 VAL B 36 -0.658 2.551 1.687 1.00 0.00 C ATOM 1176 CG2 VAL B 36 1.823 2.283 1.842 1.00 0.00 C ATOM 0 H VAL B 36 1.945 0.955 -1.176 1.00 0.00 H new ATOM 0 HA VAL B 36 0.332 0.059 1.134 1.00 0.00 H new ATOM 0 HB VAL B 36 0.736 2.891 0.111 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.554 3.552 2.106 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.508 2.530 1.005 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.821 1.835 2.493 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.883 3.288 2.259 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.730 1.559 2.652 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.726 2.073 1.269 1.00 0.00 H new ATOM 1186 N GLY B 37 -1.729 0.006 -0.306 1.00 0.00 N ATOM 1187 CA GLY B 37 -2.861 -0.112 -1.200 1.00 0.00 C ATOM 1188 C GLY B 37 -4.181 -0.216 -0.468 1.00 0.00 C ATOM 1189 O GLY B 37 -4.220 -0.513 0.726 1.00 0.00 O ATOM 0 H GLY B 37 -1.819 -0.500 0.575 1.00 0.00 H new ATOM 0 HA2 GLY B 37 -2.886 0.753 -1.863 1.00 0.00 H new ATOM 0 HA3 GLY B 37 -2.730 -0.992 -1.830 1.00 0.00 H new ATOM 1193 N GLY B 38 -5.261 0.038 -1.185 1.00 0.00 N ATOM 1194 CA GLY B 38 -6.583 -0.072 -0.611 1.00 0.00 C ATOM 1195 C GLY B 38 -7.635 -0.317 -1.669 1.00 0.00 C ATOM 1196 O GLY B 38 -7.444 0.048 -2.831 1.00 0.00 O ATOM 0 H GLY B 38 -5.245 0.321 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -6.599 -0.887 0.113 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -6.820 0.842 -0.067 1.00 0.00 H new ATOM 1200 N VAL B 39 -8.726 -0.952 -1.275 1.00 0.00 N ATOM 1201 CA VAL B 39 -9.831 -1.224 -2.180 1.00 0.00 C ATOM 1202 C VAL B 39 -11.167 -1.063 -1.460 1.00 0.00 C ATOM 1203 O VAL B 39 -11.352 -1.560 -0.347 1.00 0.00 O ATOM 1204 CB VAL B 39 -9.725 -2.643 -2.800 1.00 0.00 C ATOM 1205 CG1 VAL B 39 -9.630 -3.714 -1.722 1.00 0.00 C ATOM 1206 CG2 VAL B 39 -10.903 -2.922 -3.725 1.00 0.00 C ATOM 0 H VAL B 39 -8.871 -1.292 -0.324 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.776 -0.498 -2.991 1.00 0.00 H new ATOM 0 HB VAL B 39 -8.808 -2.676 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -9.557 -4.696 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -8.745 -3.537 -1.110 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -10.519 -3.677 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -10.805 -3.922 -4.147 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.833 -2.855 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -10.915 -2.188 -4.531 1.00 0.00 H new ATOM 1216 N VAL B 40 -12.083 -0.342 -2.083 1.00 0.00 N ATOM 1217 CA VAL B 40 -13.406 -0.141 -1.517 1.00 0.00 C ATOM 1218 C VAL B 40 -14.489 -0.586 -2.498 1.00 0.00 C ATOM 1219 O VAL B 40 -14.533 -0.133 -3.643 1.00 0.00 O ATOM 1220 CB VAL B 40 -13.640 1.333 -1.112 1.00 0.00 C ATOM 1221 CG1 VAL B 40 -12.771 1.704 0.080 1.00 0.00 C ATOM 1222 CG2 VAL B 40 -13.366 2.275 -2.278 1.00 0.00 C ATOM 0 H VAL B 40 -11.935 0.115 -2.983 1.00 0.00 H new ATOM 0 HA VAL B 40 -13.465 -0.753 -0.617 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.687 1.439 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -12.949 2.745 0.350 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -13.019 1.062 0.925 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -11.721 1.572 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -13.539 3.304 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -12.331 2.163 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -14.032 2.032 -3.106 1.00 0.00 H new ATOM 1232 N ILE B 41 -15.338 -1.499 -2.051 1.00 0.00 N ATOM 1233 CA ILE B 41 -16.440 -1.991 -2.863 1.00 0.00 C ATOM 1234 C ILE B 41 -17.771 -1.589 -2.237 1.00 0.00 C ATOM 1235 O ILE B 41 -18.155 -2.110 -1.188 1.00 0.00 O ATOM 1236 CB ILE B 41 -16.396 -3.529 -3.012 1.00 0.00 C ATOM 1237 CG1 ILE B 41 -15.035 -3.979 -3.555 1.00 0.00 C ATOM 1238 CG2 ILE B 41 -17.521 -4.007 -3.924 1.00 0.00 C ATOM 1239 CD1 ILE B 41 -14.886 -5.483 -3.659 1.00 0.00 C ATOM 0 H ILE B 41 -15.283 -1.917 -1.122 1.00 0.00 H new ATOM 0 HA ILE B 41 -16.341 -1.545 -3.853 1.00 0.00 H new ATOM 0 HB ILE B 41 -16.536 -3.975 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -14.884 -3.539 -4.541 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -14.249 -3.589 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -17.476 -5.092 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -18.482 -3.719 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -17.410 -3.552 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -13.898 -5.725 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -15.004 -5.929 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -15.649 -5.879 -4.330 1.00 0.00 H new ATOM 1251 N ALA B 42 -18.458 -0.665 -2.886 1.00 0.00 N ATOM 1252 CA ALA B 42 -19.736 -0.161 -2.412 1.00 0.00 C ATOM 1253 C ALA B 42 -20.399 0.669 -3.503 1.00 0.00 C ATOM 1254 O ALA B 42 -20.261 1.908 -3.474 1.00 0.00 O ATOM 1255 CB ALA B 42 -19.556 0.669 -1.145 1.00 0.00 C ATOM 1256 OXT ALA B 42 -21.025 0.071 -4.401 1.00 0.00 O ATOM 0 H ALA B 42 -18.144 -0.242 -3.759 1.00 0.00 H new ATOM 0 HA ALA B 42 -20.377 -1.008 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -20.526 1.035 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -19.112 0.051 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -18.901 1.515 -1.354 1.00 0.00 H new ATOM 1394 N TYR C 10 -21.581 -6.420 10.316 1.00 0.00 N ATOM 1395 CA TYR C 10 -20.379 -6.536 9.507 1.00 0.00 C ATOM 1396 C TYR C 10 -19.501 -7.688 9.978 1.00 0.00 C ATOM 1397 O TYR C 10 -19.523 -8.067 11.146 1.00 0.00 O ATOM 1398 CB TYR C 10 -19.576 -5.228 9.551 1.00 0.00 C ATOM 1399 CG TYR C 10 -18.928 -4.941 10.892 1.00 0.00 C ATOM 1400 CD1 TYR C 10 -19.643 -4.345 11.924 1.00 0.00 C ATOM 1401 CD2 TYR C 10 -17.596 -5.270 11.124 1.00 0.00 C ATOM 1402 CE1 TYR C 10 -19.049 -4.085 13.146 1.00 0.00 C ATOM 1403 CE2 TYR C 10 -16.998 -5.014 12.342 1.00 0.00 C ATOM 1404 CZ TYR C 10 -17.728 -4.423 13.349 1.00 0.00 C ATOM 1405 OH TYR C 10 -17.133 -4.170 14.562 1.00 0.00 O ATOM 0 HA TYR C 10 -20.691 -6.737 8.482 1.00 0.00 H new ATOM 0 HB2 TYR C 10 -18.801 -5.265 8.786 1.00 0.00 H new ATOM 0 HB3 TYR C 10 -20.237 -4.400 9.295 1.00 0.00 H new ATOM 0 HD1 TYR C 10 -20.679 -4.081 11.770 1.00 0.00 H new ATOM 0 HD2 TYR C 10 -17.020 -5.734 10.337 1.00 0.00 H new ATOM 0 HE1 TYR C 10 -19.618 -3.619 13.937 1.00 0.00 H new ATOM 0 HE2 TYR C 10 -15.963 -5.276 12.504 1.00 0.00 H new ATOM 0 HH TYR C 10 -16.200 -4.470 14.538 1.00 0.00 H new ATOM 1415 N GLU C 11 -18.736 -8.236 9.049 1.00 0.00 N ATOM 1416 CA GLU C 11 -17.732 -9.238 9.358 1.00 0.00 C ATOM 1417 C GLU C 11 -16.347 -8.652 9.120 1.00 0.00 C ATOM 1418 O GLU C 11 -16.086 -8.077 8.064 1.00 0.00 O ATOM 1419 CB GLU C 11 -17.927 -10.482 8.488 1.00 0.00 C ATOM 1420 CG GLU C 11 -19.142 -11.315 8.863 1.00 0.00 C ATOM 1421 CD GLU C 11 -18.961 -12.055 10.174 1.00 0.00 C ATOM 1422 OE1 GLU C 11 -18.587 -13.245 10.136 1.00 0.00 O ATOM 1423 OE2 GLU C 11 -19.192 -11.452 11.239 1.00 0.00 O ATOM 0 H GLU C 11 -18.794 -7.998 8.059 1.00 0.00 H new ATOM 0 HA GLU C 11 -17.833 -9.530 10.403 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -18.018 -10.174 7.447 1.00 0.00 H new ATOM 0 HB3 GLU C 11 -17.036 -11.106 8.559 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -20.015 -10.666 8.934 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -19.344 -12.034 8.069 1.00 0.00 H new ATOM 1430 N VAL C 12 -15.469 -8.784 10.099 1.00 0.00 N ATOM 1431 CA VAL C 12 -14.129 -8.232 9.989 1.00 0.00 C ATOM 1432 C VAL C 12 -13.092 -9.350 9.921 1.00 0.00 C ATOM 1433 O VAL C 12 -13.166 -10.325 10.665 1.00 0.00 O ATOM 1434 CB VAL C 12 -13.813 -7.273 11.165 1.00 0.00 C ATOM 1435 CG1 VAL C 12 -13.938 -7.981 12.507 1.00 0.00 C ATOM 1436 CG2 VAL C 12 -12.430 -6.658 11.007 1.00 0.00 C ATOM 0 H VAL C 12 -15.659 -9.267 10.977 1.00 0.00 H new ATOM 0 HA VAL C 12 -14.084 -7.655 9.065 1.00 0.00 H new ATOM 0 HB VAL C 12 -14.549 -6.470 11.143 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -13.710 -7.281 13.310 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -14.955 -8.354 12.628 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -13.239 -8.816 12.544 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.231 -5.989 11.844 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -11.680 -7.449 10.989 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -12.386 -6.095 10.075 1.00 0.00 H new ATOM 1446 N HIS C 13 -12.144 -9.216 9.007 1.00 0.00 N ATOM 1447 CA HIS C 13 -11.113 -10.226 8.834 1.00 0.00 C ATOM 1448 C HIS C 13 -9.763 -9.577 8.550 1.00 0.00 C ATOM 1449 O HIS C 13 -9.665 -8.643 7.755 1.00 0.00 O ATOM 1450 CB HIS C 13 -11.495 -11.174 7.693 1.00 0.00 C ATOM 1451 CG HIS C 13 -10.498 -12.265 7.437 1.00 0.00 C ATOM 1452 ND1 HIS C 13 -9.771 -12.362 6.270 1.00 0.00 N ATOM 1453 CD2 HIS C 13 -10.116 -13.315 8.201 1.00 0.00 C ATOM 1454 CE1 HIS C 13 -8.986 -13.421 6.328 1.00 0.00 C ATOM 1455 NE2 HIS C 13 -9.176 -14.018 7.489 1.00 0.00 N ATOM 0 H HIS C 13 -12.067 -8.419 8.375 1.00 0.00 H new ATOM 0 HA HIS C 13 -11.030 -10.797 9.759 1.00 0.00 H new ATOM 0 HB2 HIS C 13 -12.461 -11.626 7.920 1.00 0.00 H new ATOM 0 HB3 HIS C 13 -11.622 -10.592 6.780 1.00 0.00 H new ATOM 0 HD2 HIS C 13 -10.483 -13.555 9.188 1.00 0.00 H new ATOM 0 HE1 HIS C 13 -8.304 -13.744 5.556 1.00 0.00 H new ATOM 0 HE2 HIS C 13 -8.702 -14.864 7.806 1.00 0.00 H new ATOM 1464 N HIS C 14 -8.735 -10.075 9.212 1.00 0.00 N ATOM 1465 CA HIS C 14 -7.375 -9.625 8.979 1.00 0.00 C ATOM 1466 C HIS C 14 -6.527 -10.811 8.544 1.00 0.00 C ATOM 1467 O HIS C 14 -6.636 -11.898 9.110 1.00 0.00 O ATOM 1468 CB HIS C 14 -6.804 -8.986 10.252 1.00 0.00 C ATOM 1469 CG HIS C 14 -5.381 -8.521 10.135 1.00 0.00 C ATOM 1470 ND1 HIS C 14 -5.027 -7.283 9.649 1.00 0.00 N ATOM 1471 CD2 HIS C 14 -4.220 -9.135 10.470 1.00 0.00 C ATOM 1472 CE1 HIS C 14 -3.714 -7.156 9.689 1.00 0.00 C ATOM 1473 NE2 HIS C 14 -3.198 -8.264 10.185 1.00 0.00 N ATOM 0 H HIS C 14 -8.819 -10.800 9.924 1.00 0.00 H new ATOM 0 HA HIS C 14 -7.366 -8.872 8.191 1.00 0.00 H new ATOM 0 HB2 HIS C 14 -7.428 -8.136 10.527 1.00 0.00 H new ATOM 0 HB3 HIS C 14 -6.871 -9.708 11.066 1.00 0.00 H new ATOM 0 HD2 HIS C 14 -4.118 -10.127 10.885 1.00 0.00 H new ATOM 0 HE1 HIS C 14 -3.155 -6.289 9.369 1.00 0.00 H new ATOM 0 HE2 HIS C 14 -2.205 -8.444 10.332 1.00 0.00 H new ATOM 1482 N GLN C 15 -5.698 -10.609 7.537 1.00 0.00 N ATOM 1483 CA GLN C 15 -4.852 -11.673 7.030 1.00 0.00 C ATOM 1484 C GLN C 15 -3.436 -11.162 6.817 1.00 0.00 C ATOM 1485 O GLN C 15 -3.236 -10.079 6.267 1.00 0.00 O ATOM 1486 CB GLN C 15 -5.426 -12.215 5.718 1.00 0.00 C ATOM 1487 CG GLN C 15 -4.662 -13.399 5.151 1.00 0.00 C ATOM 1488 CD GLN C 15 -5.245 -13.892 3.843 1.00 0.00 C ATOM 1489 OE1 GLN C 15 -6.448 -13.782 3.604 1.00 0.00 O ATOM 1490 NE2 GLN C 15 -4.397 -14.440 2.990 1.00 0.00 N ATOM 0 H GLN C 15 -5.592 -9.717 7.054 1.00 0.00 H new ATOM 0 HA GLN C 15 -4.822 -12.481 7.761 1.00 0.00 H new ATOM 0 HB2 GLN C 15 -6.463 -12.509 5.881 1.00 0.00 H new ATOM 0 HB3 GLN C 15 -5.435 -11.414 4.979 1.00 0.00 H new ATOM 0 HG2 GLN C 15 -3.621 -13.116 4.997 1.00 0.00 H new ATOM 0 HG3 GLN C 15 -4.667 -14.212 5.877 1.00 0.00 H new ATOM 0 HE21 GLN C 15 -3.408 -14.511 3.229 1.00 0.00 H new ATOM 0 HE22 GLN C 15 -4.732 -14.792 2.093 1.00 0.00 H new ATOM 1499 N LYS C 16 -2.460 -11.931 7.267 1.00 0.00 N ATOM 1500 CA LYS C 16 -1.066 -11.564 7.098 1.00 0.00 C ATOM 1501 C LYS C 16 -0.315 -12.660 6.356 1.00 0.00 C ATOM 1502 O LYS C 16 -0.466 -13.843 6.653 1.00 0.00 O ATOM 1503 CB LYS C 16 -0.414 -11.293 8.460 1.00 0.00 C ATOM 1504 CG LYS C 16 -0.468 -12.473 9.417 1.00 0.00 C ATOM 1505 CD LYS C 16 0.143 -12.127 10.760 1.00 0.00 C ATOM 1506 CE LYS C 16 0.110 -13.311 11.713 1.00 0.00 C ATOM 1507 NZ LYS C 16 -1.270 -13.830 11.912 1.00 0.00 N ATOM 0 H LYS C 16 -2.608 -12.815 7.753 1.00 0.00 H new ATOM 0 HA LYS C 16 -1.018 -10.650 6.505 1.00 0.00 H new ATOM 0 HB2 LYS C 16 0.628 -11.013 8.303 1.00 0.00 H new ATOM 0 HB3 LYS C 16 -0.907 -10.439 8.924 1.00 0.00 H new ATOM 0 HG2 LYS C 16 -1.504 -12.783 9.556 1.00 0.00 H new ATOM 0 HG3 LYS C 16 0.062 -13.320 8.982 1.00 0.00 H new ATOM 0 HD2 LYS C 16 1.174 -11.802 10.618 1.00 0.00 H new ATOM 0 HD3 LYS C 16 -0.397 -11.289 11.201 1.00 0.00 H new ATOM 0 HE2 LYS C 16 0.744 -14.107 11.323 1.00 0.00 H new ATOM 0 HE3 LYS C 16 0.527 -13.013 12.675 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 -1.286 -14.468 12.733 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 -1.919 -13.035 12.079 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 -1.571 -14.351 11.063 1.00 0.00 H new ATOM 1521 N LEU C 17 0.475 -12.260 5.373 1.00 0.00 N ATOM 1522 CA LEU C 17 1.272 -13.199 4.601 1.00 0.00 C ATOM 1523 C LEU C 17 2.724 -12.750 4.588 1.00 0.00 C ATOM 1524 O LEU C 17 3.030 -11.631 4.177 1.00 0.00 O ATOM 1525 CB LEU C 17 0.742 -13.306 3.166 1.00 0.00 C ATOM 1526 CG LEU C 17 -0.686 -13.843 3.034 1.00 0.00 C ATOM 1527 CD1 LEU C 17 -1.146 -13.785 1.584 1.00 0.00 C ATOM 1528 CD2 LEU C 17 -0.774 -15.268 3.560 1.00 0.00 C ATOM 0 H LEU C 17 0.582 -11.286 5.090 1.00 0.00 H new ATOM 0 HA LEU C 17 1.203 -14.182 5.067 1.00 0.00 H new ATOM 0 HB2 LEU C 17 0.785 -12.319 2.706 1.00 0.00 H new ATOM 0 HB3 LEU C 17 1.410 -13.953 2.597 1.00 0.00 H new ATOM 0 HG LEU C 17 -1.344 -13.213 3.633 1.00 0.00 H new ATOM 0 HD11 LEU C 17 -2.163 -14.171 1.509 1.00 0.00 H new ATOM 0 HD12 LEU C 17 -1.123 -12.752 1.236 1.00 0.00 H new ATOM 0 HD13 LEU C 17 -0.482 -14.391 0.967 1.00 0.00 H new ATOM 0 HD21 LEU C 17 -1.797 -15.631 3.457 1.00 0.00 H new ATOM 0 HD22 LEU C 17 -0.102 -15.909 2.989 1.00 0.00 H new ATOM 0 HD23 LEU C 17 -0.486 -15.286 4.611 1.00 0.00 H new ATOM 1540 N VAL C 18 3.610 -13.608 5.062 1.00 0.00 N ATOM 1541 CA VAL C 18 5.029 -13.295 5.099 1.00 0.00 C ATOM 1542 C VAL C 18 5.843 -14.368 4.387 1.00 0.00 C ATOM 1543 O VAL C 18 5.576 -15.562 4.525 1.00 0.00 O ATOM 1544 CB VAL C 18 5.545 -13.132 6.547 1.00 0.00 C ATOM 1545 CG1 VAL C 18 4.939 -11.897 7.197 1.00 0.00 C ATOM 1546 CG2 VAL C 18 5.242 -14.372 7.378 1.00 0.00 C ATOM 0 H VAL C 18 3.372 -14.530 5.428 1.00 0.00 H new ATOM 0 HA VAL C 18 5.155 -12.344 4.581 1.00 0.00 H new ATOM 0 HB VAL C 18 6.627 -13.007 6.505 1.00 0.00 H new ATOM 0 HG11 VAL C 18 5.315 -11.800 8.216 1.00 0.00 H new ATOM 0 HG12 VAL C 18 5.214 -11.012 6.623 1.00 0.00 H new ATOM 0 HG13 VAL C 18 3.853 -11.993 7.219 1.00 0.00 H new ATOM 0 HG21 VAL C 18 5.616 -14.231 8.392 1.00 0.00 H new ATOM 0 HG22 VAL C 18 4.165 -14.536 7.408 1.00 0.00 H new ATOM 0 HG23 VAL C 18 5.728 -15.238 6.930 1.00 0.00 H new ATOM 1556 N PHE C 19 6.817 -13.931 3.605 1.00 0.00 N ATOM 1557 CA PHE C 19 7.697 -14.837 2.884 1.00 0.00 C ATOM 1558 C PHE C 19 9.137 -14.362 3.024 1.00 0.00 C ATOM 1559 O PHE C 19 9.407 -13.160 2.964 1.00 0.00 O ATOM 1560 CB PHE C 19 7.310 -14.905 1.401 1.00 0.00 C ATOM 1561 CG PHE C 19 5.900 -15.370 1.153 1.00 0.00 C ATOM 1562 CD1 PHE C 19 5.594 -16.722 1.129 1.00 0.00 C ATOM 1563 CD2 PHE C 19 4.881 -14.451 0.943 1.00 0.00 C ATOM 1564 CE1 PHE C 19 4.299 -17.149 0.903 1.00 0.00 C ATOM 1565 CE2 PHE C 19 3.584 -14.875 0.716 1.00 0.00 C ATOM 1566 CZ PHE C 19 3.294 -16.224 0.696 1.00 0.00 C ATOM 0 H PHE C 19 7.019 -12.943 3.452 1.00 0.00 H new ATOM 0 HA PHE C 19 7.598 -15.836 3.309 1.00 0.00 H new ATOM 0 HB2 PHE C 19 7.438 -13.918 0.958 1.00 0.00 H new ATOM 0 HB3 PHE C 19 7.998 -15.577 0.888 1.00 0.00 H new ATOM 0 HD1 PHE C 19 6.376 -17.450 1.289 1.00 0.00 H new ATOM 0 HD2 PHE C 19 5.103 -13.394 0.957 1.00 0.00 H new ATOM 0 HE1 PHE C 19 4.073 -18.205 0.888 1.00 0.00 H new ATOM 0 HE2 PHE C 19 2.799 -14.151 0.555 1.00 0.00 H new ATOM 0 HZ PHE C 19 2.282 -16.556 0.519 1.00 0.00 H new ATOM 1576 N PHE C 20 10.057 -15.292 3.217 1.00 0.00 N ATOM 1577 CA PHE C 20 11.453 -14.938 3.412 1.00 0.00 C ATOM 1578 C PHE C 20 12.363 -15.797 2.545 1.00 0.00 C ATOM 1579 O PHE C 20 12.205 -17.014 2.464 1.00 0.00 O ATOM 1580 CB PHE C 20 11.845 -15.060 4.895 1.00 0.00 C ATOM 1581 CG PHE C 20 11.609 -16.420 5.496 1.00 0.00 C ATOM 1582 CD1 PHE C 20 12.649 -17.329 5.613 1.00 0.00 C ATOM 1583 CD2 PHE C 20 10.351 -16.785 5.947 1.00 0.00 C ATOM 1584 CE1 PHE C 20 12.436 -18.575 6.169 1.00 0.00 C ATOM 1585 CE2 PHE C 20 10.134 -18.029 6.502 1.00 0.00 C ATOM 1586 CZ PHE C 20 11.178 -18.927 6.614 1.00 0.00 C ATOM 0 H PHE C 20 9.864 -16.293 3.243 1.00 0.00 H new ATOM 0 HA PHE C 20 11.580 -13.899 3.107 1.00 0.00 H new ATOM 0 HB2 PHE C 20 12.901 -14.809 5.000 1.00 0.00 H new ATOM 0 HB3 PHE C 20 11.283 -14.322 5.468 1.00 0.00 H new ATOM 0 HD1 PHE C 20 13.636 -17.060 5.266 1.00 0.00 H new ATOM 0 HD2 PHE C 20 9.531 -16.087 5.863 1.00 0.00 H new ATOM 0 HE1 PHE C 20 13.254 -19.274 6.256 1.00 0.00 H new ATOM 0 HE2 PHE C 20 9.148 -18.301 6.849 1.00 0.00 H new ATOM 0 HZ PHE C 20 11.010 -19.901 7.048 1.00 0.00 H new ATOM 1703 N GLY C 29 19.756 -11.569 0.510 1.00 0.00 N ATOM 1704 CA GLY C 29 18.556 -12.108 1.123 1.00 0.00 C ATOM 1705 C GLY C 29 17.377 -11.169 0.955 1.00 0.00 C ATOM 1706 O GLY C 29 17.563 -9.968 0.786 1.00 0.00 O ATOM 0 HA2 GLY C 29 18.320 -13.074 0.676 1.00 0.00 H new ATOM 0 HA3 GLY C 29 18.735 -12.283 2.184 1.00 0.00 H new ATOM 1710 N ALA C 30 16.163 -11.702 0.995 1.00 0.00 N ATOM 1711 CA ALA C 30 14.978 -10.882 0.779 1.00 0.00 C ATOM 1712 C ALA C 30 13.831 -11.307 1.682 1.00 0.00 C ATOM 1713 O ALA C 30 13.500 -12.485 1.773 1.00 0.00 O ATOM 1714 CB ALA C 30 14.544 -10.951 -0.677 1.00 0.00 C ATOM 0 H ALA C 30 15.973 -12.688 1.173 1.00 0.00 H new ATOM 0 HA ALA C 30 15.240 -9.854 1.028 1.00 0.00 H new ATOM 0 HB1 ALA C 30 13.658 -10.333 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA C 30 15.349 -10.586 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA C 30 14.314 -11.984 -0.939 1.00 0.00 H new ATOM 1720 N ILE C 31 13.232 -10.336 2.350 1.00 0.00 N ATOM 1721 CA ILE C 31 12.073 -10.586 3.194 1.00 0.00 C ATOM 1722 C ILE C 31 10.902 -9.734 2.717 1.00 0.00 C ATOM 1723 O ILE C 31 11.045 -8.525 2.528 1.00 0.00 O ATOM 1724 CB ILE C 31 12.347 -10.283 4.693 1.00 0.00 C ATOM 1725 CG1 ILE C 31 13.398 -11.235 5.280 1.00 0.00 C ATOM 1726 CG2 ILE C 31 11.060 -10.370 5.502 1.00 0.00 C ATOM 1727 CD1 ILE C 31 14.827 -10.870 4.945 1.00 0.00 C ATOM 0 H ILE C 31 13.530 -9.361 2.325 1.00 0.00 H new ATOM 0 HA ILE C 31 11.838 -11.647 3.111 1.00 0.00 H new ATOM 0 HB ILE C 31 12.739 -9.268 4.752 1.00 0.00 H new ATOM 0 HG12 ILE C 31 13.286 -11.257 6.364 1.00 0.00 H new ATOM 0 HG13 ILE C 31 13.199 -12.244 4.919 1.00 0.00 H new ATOM 0 HG21 ILE C 31 11.273 -10.155 6.549 1.00 0.00 H new ATOM 0 HG22 ILE C 31 10.341 -9.644 5.121 1.00 0.00 H new ATOM 0 HG23 ILE C 31 10.643 -11.373 5.416 1.00 0.00 H new ATOM 0 HD11 ILE C 31 15.503 -11.594 5.399 1.00 0.00 H new ATOM 0 HD12 ILE C 31 14.960 -10.877 3.863 1.00 0.00 H new ATOM 0 HD13 ILE C 31 15.048 -9.875 5.331 1.00 0.00 H new ATOM 1739 N ILE C 32 9.757 -10.369 2.505 1.00 0.00 N ATOM 1740 CA ILE C 32 8.565 -9.660 2.071 1.00 0.00 C ATOM 1741 C ILE C 32 7.368 -10.043 2.937 1.00 0.00 C ATOM 1742 O ILE C 32 7.174 -11.213 3.271 1.00 0.00 O ATOM 1743 CB ILE C 32 8.250 -9.927 0.576 1.00 0.00 C ATOM 1744 CG1 ILE C 32 6.998 -9.157 0.140 1.00 0.00 C ATOM 1745 CG2 ILE C 32 8.080 -11.417 0.312 1.00 0.00 C ATOM 1746 CD1 ILE C 32 6.707 -9.260 -1.342 1.00 0.00 C ATOM 0 H ILE C 32 9.630 -11.374 2.627 1.00 0.00 H new ATOM 0 HA ILE C 32 8.761 -8.594 2.186 1.00 0.00 H new ATOM 0 HB ILE C 32 9.095 -9.573 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE C 32 6.139 -9.532 0.697 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.117 -8.107 0.406 1.00 0.00 H new ATOM 0 HG21 ILE C 32 7.860 -11.577 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE C 32 9.000 -11.940 0.574 1.00 0.00 H new ATOM 0 HG23 ILE C 32 7.259 -11.802 0.916 1.00 0.00 H new ATOM 0 HD11 ILE C 32 5.808 -8.691 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.548 -8.858 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE C 32 6.555 -10.305 -1.611 1.00 0.00 H new ATOM 1758 N GLY C 33 6.585 -9.050 3.319 1.00 0.00 N ATOM 1759 CA GLY C 33 5.417 -9.299 4.132 1.00 0.00 C ATOM 1760 C GLY C 33 4.294 -8.349 3.799 1.00 0.00 C ATOM 1761 O GLY C 33 4.535 -7.177 3.514 1.00 0.00 O ATOM 0 H GLY C 33 6.738 -8.071 3.079 1.00 0.00 H new ATOM 0 HA2 GLY C 33 5.082 -10.325 3.983 1.00 0.00 H new ATOM 0 HA3 GLY C 33 5.678 -9.199 5.185 1.00 0.00 H new ATOM 1765 N LEU C 34 3.072 -8.851 3.814 1.00 0.00 N ATOM 1766 CA LEU C 34 1.908 -8.025 3.545 1.00 0.00 C ATOM 1767 C LEU C 34 0.766 -8.390 4.480 1.00 0.00 C ATOM 1768 O LEU C 34 0.553 -9.562 4.795 1.00 0.00 O ATOM 1769 CB LEU C 34 1.449 -8.150 2.082 1.00 0.00 C ATOM 1770 CG LEU C 34 1.022 -9.552 1.625 1.00 0.00 C ATOM 1771 CD1 LEU C 34 0.086 -9.452 0.433 1.00 0.00 C ATOM 1772 CD2 LEU C 34 2.236 -10.397 1.260 1.00 0.00 C ATOM 0 H LEU C 34 2.860 -9.829 4.010 1.00 0.00 H new ATOM 0 HA LEU C 34 2.197 -6.989 3.721 1.00 0.00 H new ATOM 0 HB2 LEU C 34 0.613 -7.469 1.926 1.00 0.00 H new ATOM 0 HB3 LEU C 34 2.261 -7.812 1.438 1.00 0.00 H new ATOM 0 HG LEU C 34 0.500 -10.035 2.451 1.00 0.00 H new ATOM 0 HD11 LEU C 34 -0.210 -10.453 0.118 1.00 0.00 H new ATOM 0 HD12 LEU C 34 -0.800 -8.883 0.713 1.00 0.00 H new ATOM 0 HD13 LEU C 34 0.596 -8.949 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU C 34 1.908 -11.386 0.939 1.00 0.00 H new ATOM 0 HD22 LEU C 34 2.784 -9.916 0.450 1.00 0.00 H new ATOM 0 HD23 LEU C 34 2.886 -10.495 2.129 1.00 0.00 H new ATOM 1784 N MET C 35 0.051 -7.378 4.937 1.00 0.00 N ATOM 1785 CA MET C 35 -1.091 -7.572 5.810 1.00 0.00 C ATOM 1786 C MET C 35 -2.306 -6.870 5.230 1.00 0.00 C ATOM 1787 O MET C 35 -2.239 -5.699 4.854 1.00 0.00 O ATOM 1788 CB MET C 35 -0.799 -7.037 7.214 1.00 0.00 C ATOM 1789 CG MET C 35 0.366 -7.729 7.900 1.00 0.00 C ATOM 1790 SD MET C 35 0.656 -7.129 9.575 1.00 0.00 S ATOM 1791 CE MET C 35 1.053 -5.408 9.265 1.00 0.00 C ATOM 0 H MET C 35 0.245 -6.402 4.714 1.00 0.00 H new ATOM 0 HA MET C 35 -1.292 -8.641 5.885 1.00 0.00 H new ATOM 0 HB2 MET C 35 -0.590 -5.969 7.150 1.00 0.00 H new ATOM 0 HB3 MET C 35 -1.691 -7.151 7.830 1.00 0.00 H new ATOM 0 HG2 MET C 35 0.176 -8.802 7.932 1.00 0.00 H new ATOM 0 HG3 MET C 35 1.269 -7.583 7.307 1.00 0.00 H new ATOM 0 HE1 MET C 35 1.558 -4.989 10.135 1.00 0.00 H new ATOM 0 HE2 MET C 35 1.707 -5.336 8.396 1.00 0.00 H new ATOM 0 HE3 MET C 35 0.135 -4.851 9.075 1.00 0.00 H new ATOM 1801 N VAL C 36 -3.410 -7.593 5.144 1.00 0.00 N ATOM 1802 CA VAL C 36 -4.633 -7.048 4.584 1.00 0.00 C ATOM 1803 C VAL C 36 -5.765 -7.126 5.599 1.00 0.00 C ATOM 1804 O VAL C 36 -5.984 -8.166 6.224 1.00 0.00 O ATOM 1805 CB VAL C 36 -5.055 -7.798 3.300 1.00 0.00 C ATOM 1806 CG1 VAL C 36 -6.279 -7.143 2.672 1.00 0.00 C ATOM 1807 CG2 VAL C 36 -3.905 -7.863 2.304 1.00 0.00 C ATOM 0 H VAL C 36 -3.483 -8.561 5.456 1.00 0.00 H new ATOM 0 HA VAL C 36 -4.434 -6.007 4.331 1.00 0.00 H new ATOM 0 HB VAL C 36 -5.318 -8.819 3.576 1.00 0.00 H new ATOM 0 HG11 VAL C 36 -6.560 -7.686 1.770 1.00 0.00 H new ATOM 0 HG12 VAL C 36 -7.107 -7.164 3.381 1.00 0.00 H new ATOM 0 HG13 VAL C 36 -6.047 -6.109 2.416 1.00 0.00 H new ATOM 0 HG21 VAL C 36 -4.228 -8.396 1.410 1.00 0.00 H new ATOM 0 HG22 VAL C 36 -3.600 -6.852 2.034 1.00 0.00 H new ATOM 0 HG23 VAL C 36 -3.063 -8.388 2.755 1.00 0.00 H new ATOM 1817 N GLY C 37 -6.467 -6.021 5.767 1.00 0.00 N ATOM 1818 CA GLY C 37 -7.626 -6.000 6.629 1.00 0.00 C ATOM 1819 C GLY C 37 -8.878 -5.694 5.843 1.00 0.00 C ATOM 1820 O GLY C 37 -8.906 -4.737 5.067 1.00 0.00 O ATOM 0 H GLY C 37 -6.253 -5.130 5.318 1.00 0.00 H new ATOM 0 HA2 GLY C 37 -7.731 -6.964 7.127 1.00 0.00 H new ATOM 0 HA3 GLY C 37 -7.490 -5.251 7.409 1.00 0.00 H new ATOM 1824 N GLY C 38 -9.910 -6.499 6.031 1.00 0.00 N ATOM 1825 CA GLY C 38 -11.129 -6.319 5.276 1.00 0.00 C ATOM 1826 C GLY C 38 -12.364 -6.349 6.149 1.00 0.00 C ATOM 1827 O GLY C 38 -12.414 -7.077 7.143 1.00 0.00 O ATOM 0 H GLY C 38 -9.925 -7.274 6.694 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -11.086 -5.368 4.746 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -11.203 -7.102 4.521 1.00 0.00 H new ATOM 1831 N VAL C 39 -13.357 -5.555 5.777 1.00 0.00 N ATOM 1832 CA VAL C 39 -14.614 -5.498 6.504 1.00 0.00 C ATOM 1833 C VAL C 39 -15.783 -5.661 5.541 1.00 0.00 C ATOM 1834 O VAL C 39 -15.936 -4.885 4.596 1.00 0.00 O ATOM 1835 CB VAL C 39 -14.772 -4.168 7.278 1.00 0.00 C ATOM 1836 CG1 VAL C 39 -16.117 -4.109 7.986 1.00 0.00 C ATOM 1837 CG2 VAL C 39 -13.640 -3.986 8.280 1.00 0.00 C ATOM 0 H VAL C 39 -13.314 -4.936 4.967 1.00 0.00 H new ATOM 0 HA VAL C 39 -14.609 -6.314 7.227 1.00 0.00 H new ATOM 0 HB VAL C 39 -14.727 -3.354 6.555 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -16.204 -3.165 8.523 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -16.919 -4.184 7.251 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -16.193 -4.936 8.692 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -13.773 -3.044 8.812 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -13.650 -4.810 8.993 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -12.686 -3.974 7.753 1.00 0.00 H new ATOM 1847 N VAL C 40 -16.588 -6.686 5.776 1.00 0.00 N ATOM 1848 CA VAL C 40 -17.753 -6.960 4.950 1.00 0.00 C ATOM 1849 C VAL C 40 -19.020 -6.540 5.682 1.00 0.00 C ATOM 1850 O VAL C 40 -19.447 -7.202 6.627 1.00 0.00 O ATOM 1851 CB VAL C 40 -17.844 -8.461 4.591 1.00 0.00 C ATOM 1852 CG1 VAL C 40 -19.052 -8.739 3.708 1.00 0.00 C ATOM 1853 CG2 VAL C 40 -16.565 -8.930 3.915 1.00 0.00 C ATOM 0 H VAL C 40 -16.453 -7.348 6.540 1.00 0.00 H new ATOM 0 HA VAL C 40 -17.651 -6.388 4.028 1.00 0.00 H new ATOM 0 HB VAL C 40 -17.968 -9.022 5.517 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -19.092 -9.802 3.470 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -19.962 -8.450 4.235 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -18.969 -8.164 2.786 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -16.650 -9.989 3.671 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -16.406 -8.358 3.001 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -15.721 -8.780 4.588 1.00 0.00 H new ATOM 1863 N ILE C 41 -19.609 -5.439 5.252 1.00 0.00 N ATOM 1864 CA ILE C 41 -20.814 -4.920 5.879 1.00 0.00 C ATOM 1865 C ILE C 41 -22.035 -5.307 5.052 1.00 0.00 C ATOM 1866 O ILE C 41 -21.976 -5.313 3.823 1.00 0.00 O ATOM 1867 CB ILE C 41 -20.758 -3.382 6.018 1.00 0.00 C ATOM 1868 CG1 ILE C 41 -19.412 -2.945 6.607 1.00 0.00 C ATOM 1869 CG2 ILE C 41 -21.902 -2.889 6.893 1.00 0.00 C ATOM 1870 CD1 ILE C 41 -19.243 -1.442 6.689 1.00 0.00 C ATOM 0 H ILE C 41 -19.271 -4.883 4.466 1.00 0.00 H new ATOM 0 HA ILE C 41 -20.886 -5.354 6.876 1.00 0.00 H new ATOM 0 HB ILE C 41 -20.861 -2.941 5.026 1.00 0.00 H new ATOM 0 HG12 ILE C 41 -19.308 -3.369 7.606 1.00 0.00 H new ATOM 0 HG13 ILE C 41 -18.608 -3.360 5.999 1.00 0.00 H new ATOM 0 HG21 ILE C 41 -21.850 -1.804 6.982 1.00 0.00 H new ATOM 0 HG22 ILE C 41 -22.853 -3.171 6.441 1.00 0.00 H new ATOM 0 HG23 ILE C 41 -21.823 -3.339 7.883 1.00 0.00 H new ATOM 0 HD11 ILE C 41 -18.267 -1.208 7.115 1.00 0.00 H new ATOM 0 HD12 ILE C 41 -19.314 -1.013 5.690 1.00 0.00 H new ATOM 0 HD13 ILE C 41 -20.025 -1.022 7.321 1.00 0.00 H new ATOM 2341 N ALA D 30 -21.476 -3.614 1.648 1.00 0.00 N ATOM 2342 CA ALA D 30 -20.246 -2.928 1.278 1.00 0.00 C ATOM 2343 C ALA D 30 -19.028 -3.677 1.804 1.00 0.00 C ATOM 2344 O ALA D 30 -19.035 -4.177 2.928 1.00 0.00 O ATOM 2345 CB ALA D 30 -20.258 -1.501 1.804 1.00 0.00 C ATOM 0 HA ALA D 30 -20.185 -2.900 0.190 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -19.332 -1.001 1.520 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -21.106 -0.964 1.379 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -20.344 -1.514 2.890 1.00 0.00 H new ATOM 2351 N ILE D 31 -17.987 -3.753 0.990 1.00 0.00 N ATOM 2352 CA ILE D 31 -16.769 -4.458 1.366 1.00 0.00 C ATOM 2353 C ILE D 31 -15.555 -3.556 1.190 1.00 0.00 C ATOM 2354 O ILE D 31 -15.279 -3.080 0.093 1.00 0.00 O ATOM 2355 CB ILE D 31 -16.571 -5.739 0.524 1.00 0.00 C ATOM 2356 CG1 ILE D 31 -17.780 -6.667 0.674 1.00 0.00 C ATOM 2357 CG2 ILE D 31 -15.291 -6.455 0.939 1.00 0.00 C ATOM 2358 CD1 ILE D 31 -17.701 -7.920 -0.171 1.00 0.00 C ATOM 0 H ILE D 31 -17.960 -3.334 0.061 1.00 0.00 H new ATOM 0 HA ILE D 31 -16.871 -4.740 2.414 1.00 0.00 H new ATOM 0 HB ILE D 31 -16.482 -5.456 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE D 31 -17.878 -6.953 1.721 1.00 0.00 H new ATOM 0 HG13 ILE D 31 -18.683 -6.117 0.407 1.00 0.00 H new ATOM 0 HG21 ILE D 31 -15.166 -7.355 0.337 1.00 0.00 H new ATOM 0 HG22 ILE D 31 -14.438 -5.794 0.785 1.00 0.00 H new ATOM 0 HG23 ILE D 31 -15.352 -6.729 1.992 1.00 0.00 H new ATOM 0 HD11 ILE D 31 -18.593 -8.525 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE D 31 -17.635 -7.645 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE D 31 -16.818 -8.494 0.111 1.00 0.00 H new ATOM 2370 N ILE D 32 -14.836 -3.312 2.273 1.00 0.00 N ATOM 2371 CA ILE D 32 -13.624 -2.511 2.205 1.00 0.00 C ATOM 2372 C ILE D 32 -12.412 -3.358 2.572 1.00 0.00 C ATOM 2373 O ILE D 32 -12.522 -4.305 3.353 1.00 0.00 O ATOM 2374 CB ILE D 32 -13.704 -1.252 3.112 1.00 0.00 C ATOM 2375 CG1 ILE D 32 -13.934 -1.618 4.587 1.00 0.00 C ATOM 2376 CG2 ILE D 32 -14.808 -0.324 2.627 1.00 0.00 C ATOM 2377 CD1 ILE D 32 -12.661 -1.883 5.366 1.00 0.00 C ATOM 0 H ILE D 32 -15.068 -3.655 3.205 1.00 0.00 H new ATOM 0 HA ILE D 32 -13.519 -2.162 1.178 1.00 0.00 H new ATOM 0 HB ILE D 32 -12.744 -0.741 3.045 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -14.481 -0.808 5.070 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -14.568 -2.504 4.636 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -14.854 0.554 3.271 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -14.599 -0.013 1.603 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -15.764 -0.848 2.659 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -12.911 -2.134 6.397 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -12.122 -2.714 4.911 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -12.033 -0.992 5.352 1.00 0.00 H new ATOM 2389 N GLY D 33 -11.268 -3.030 1.991 1.00 0.00 N ATOM 2390 CA GLY D 33 -10.050 -3.751 2.290 1.00 0.00 C ATOM 2391 C GLY D 33 -8.823 -2.878 2.143 1.00 0.00 C ATOM 2392 O GLY D 33 -8.659 -2.192 1.137 1.00 0.00 O ATOM 0 H GLY D 33 -11.162 -2.274 1.315 1.00 0.00 H new ATOM 0 HA2 GLY D 33 -10.099 -4.139 3.307 1.00 0.00 H new ATOM 0 HA3 GLY D 33 -9.965 -4.610 1.625 1.00 0.00 H new ATOM 2396 N LEU D 34 -7.966 -2.893 3.147 1.00 0.00 N ATOM 2397 CA LEU D 34 -6.736 -2.116 3.111 1.00 0.00 C ATOM 2398 C LEU D 34 -5.533 -3.045 3.128 1.00 0.00 C ATOM 2399 O LEU D 34 -5.484 -3.997 3.908 1.00 0.00 O ATOM 2400 CB LEU D 34 -6.675 -1.142 4.290 1.00 0.00 C ATOM 2401 CG LEU D 34 -7.764 -0.067 4.306 1.00 0.00 C ATOM 2402 CD1 LEU D 34 -7.633 0.802 5.545 1.00 0.00 C ATOM 2403 CD2 LEU D 34 -7.693 0.791 3.050 1.00 0.00 C ATOM 0 H LEU D 34 -8.098 -3.436 4.001 1.00 0.00 H new ATOM 0 HA LEU D 34 -6.720 -1.534 2.189 1.00 0.00 H new ATOM 0 HB2 LEU D 34 -6.738 -1.714 5.216 1.00 0.00 H new ATOM 0 HB3 LEU D 34 -5.702 -0.650 4.284 1.00 0.00 H new ATOM 0 HG LEU D 34 -8.734 -0.564 4.329 1.00 0.00 H new ATOM 0 HD11 LEU D 34 -8.415 1.561 5.541 1.00 0.00 H new ATOM 0 HD12 LEU D 34 -7.733 0.182 6.436 1.00 0.00 H new ATOM 0 HD13 LEU D 34 -6.657 1.287 5.548 1.00 0.00 H new ATOM 0 HD21 LEU D 34 -8.476 1.549 3.082 1.00 0.00 H new ATOM 0 HD22 LEU D 34 -6.719 1.278 2.996 1.00 0.00 H new ATOM 0 HD23 LEU D 34 -7.833 0.162 2.171 1.00 0.00 H new ATOM 2415 N MET D 35 -4.568 -2.766 2.265 1.00 0.00 N ATOM 2416 CA MET D 35 -3.414 -3.636 2.099 1.00 0.00 C ATOM 2417 C MET D 35 -2.122 -2.889 2.412 1.00 0.00 C ATOM 2418 O MET D 35 -1.837 -1.849 1.818 1.00 0.00 O ATOM 2419 CB MET D 35 -3.359 -4.172 0.665 1.00 0.00 C ATOM 2420 CG MET D 35 -4.624 -4.891 0.223 1.00 0.00 C ATOM 2421 SD MET D 35 -4.511 -5.549 -1.453 1.00 0.00 S ATOM 2422 CE MET D 35 -4.282 -4.047 -2.404 1.00 0.00 C ATOM 0 H MET D 35 -4.562 -1.940 1.666 1.00 0.00 H new ATOM 0 HA MET D 35 -3.515 -4.469 2.795 1.00 0.00 H new ATOM 0 HB2 MET D 35 -3.169 -3.342 -0.015 1.00 0.00 H new ATOM 0 HB3 MET D 35 -2.515 -4.856 0.576 1.00 0.00 H new ATOM 0 HG2 MET D 35 -4.832 -5.707 0.915 1.00 0.00 H new ATOM 0 HG3 MET D 35 -5.466 -4.202 0.281 1.00 0.00 H new ATOM 0 HE1 MET D 35 -4.530 -4.236 -3.448 1.00 0.00 H new ATOM 0 HE2 MET D 35 -4.933 -3.266 -2.012 1.00 0.00 H new ATOM 0 HE3 MET D 35 -3.243 -3.724 -2.330 1.00 0.00 H new ATOM 2432 N VAL D 36 -1.354 -3.414 3.353 1.00 0.00 N ATOM 2433 CA VAL D 36 -0.056 -2.843 3.685 1.00 0.00 C ATOM 2434 C VAL D 36 1.026 -3.901 3.509 1.00 0.00 C ATOM 2435 O VAL D 36 0.927 -4.988 4.077 1.00 0.00 O ATOM 2436 CB VAL D 36 -0.022 -2.313 5.136 1.00 0.00 C ATOM 2437 CG1 VAL D 36 1.325 -1.677 5.447 1.00 0.00 C ATOM 2438 CG2 VAL D 36 -1.147 -1.317 5.374 1.00 0.00 C ATOM 0 H VAL D 36 -1.606 -4.236 3.902 1.00 0.00 H new ATOM 0 HA VAL D 36 0.123 -2.004 3.013 1.00 0.00 H new ATOM 0 HB VAL D 36 -0.166 -3.160 5.807 1.00 0.00 H new ATOM 0 HG11 VAL D 36 1.326 -1.311 6.474 1.00 0.00 H new ATOM 0 HG12 VAL D 36 2.114 -2.419 5.325 1.00 0.00 H new ATOM 0 HG13 VAL D 36 1.501 -0.845 4.765 1.00 0.00 H new ATOM 0 HG21 VAL D 36 -1.103 -0.957 6.402 1.00 0.00 H new ATOM 0 HG22 VAL D 36 -1.038 -0.475 4.690 1.00 0.00 H new ATOM 0 HG23 VAL D 36 -2.107 -1.804 5.201 1.00 0.00 H new ATOM 2448 N GLY D 37 2.049 -3.595 2.727 1.00 0.00 N ATOM 2449 CA GLY D 37 3.091 -4.565 2.473 1.00 0.00 C ATOM 2450 C GLY D 37 4.457 -3.934 2.306 1.00 0.00 C ATOM 2451 O GLY D 37 4.574 -2.732 2.068 1.00 0.00 O ATOM 0 H GLY D 37 2.176 -2.695 2.265 1.00 0.00 H new ATOM 0 HA2 GLY D 37 3.124 -5.278 3.296 1.00 0.00 H new ATOM 0 HA3 GLY D 37 2.844 -5.128 1.573 1.00 0.00 H new ATOM 2455 N GLY D 38 5.490 -4.747 2.438 1.00 0.00 N ATOM 2456 CA GLY D 38 6.842 -4.271 2.260 1.00 0.00 C ATOM 2457 C GLY D 38 7.783 -5.393 1.880 1.00 0.00 C ATOM 2458 O GLY D 38 7.533 -6.555 2.203 1.00 0.00 O ATOM 0 H GLY D 38 5.414 -5.738 2.668 1.00 0.00 H new ATOM 0 HA2 GLY D 38 6.859 -3.504 1.486 1.00 0.00 H new ATOM 0 HA3 GLY D 38 7.187 -3.802 3.181 1.00 0.00 H new ATOM 2462 N VAL D 39 8.852 -5.049 1.180 1.00 0.00 N ATOM 2463 CA VAL D 39 9.855 -6.020 0.776 1.00 0.00 C ATOM 2464 C VAL D 39 11.253 -5.414 0.867 1.00 0.00 C ATOM 2465 O VAL D 39 11.489 -4.291 0.417 1.00 0.00 O ATOM 2466 CB VAL D 39 9.595 -6.546 -0.660 1.00 0.00 C ATOM 2467 CG1 VAL D 39 9.510 -5.403 -1.662 1.00 0.00 C ATOM 2468 CG2 VAL D 39 10.671 -7.543 -1.078 1.00 0.00 C ATOM 0 H VAL D 39 9.048 -4.095 0.878 1.00 0.00 H new ATOM 0 HA VAL D 39 9.787 -6.865 1.461 1.00 0.00 H new ATOM 0 HB VAL D 39 8.633 -7.059 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL D 39 9.327 -5.805 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL D 39 8.694 -4.736 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL D 39 10.448 -4.848 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL D 39 10.466 -7.897 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL D 39 11.646 -7.057 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.670 -8.389 -0.390 1.00 0.00 H new ATOM 2478 N VAL D 40 12.166 -6.147 1.481 1.00 0.00 N ATOM 2479 CA VAL D 40 13.542 -5.697 1.613 1.00 0.00 C ATOM 2480 C VAL D 40 14.504 -6.728 1.032 1.00 0.00 C ATOM 2481 O VAL D 40 14.481 -7.899 1.413 1.00 0.00 O ATOM 2482 CB VAL D 40 13.913 -5.398 3.087 1.00 0.00 C ATOM 2483 CG1 VAL D 40 13.173 -4.165 3.588 1.00 0.00 C ATOM 2484 CG2 VAL D 40 13.609 -6.591 3.985 1.00 0.00 C ATOM 0 H VAL D 40 11.979 -7.059 1.897 1.00 0.00 H new ATOM 0 HA VAL D 40 13.631 -4.768 1.050 1.00 0.00 H new ATOM 0 HB VAL D 40 14.985 -5.205 3.126 1.00 0.00 H new ATOM 0 HG11 VAL D 40 13.448 -3.972 4.625 1.00 0.00 H new ATOM 0 HG12 VAL D 40 13.443 -3.305 2.975 1.00 0.00 H new ATOM 0 HG13 VAL D 40 12.098 -4.334 3.523 1.00 0.00 H new ATOM 0 HG21 VAL D 40 13.880 -6.351 5.013 1.00 0.00 H new ATOM 0 HG22 VAL D 40 12.545 -6.822 3.935 1.00 0.00 H new ATOM 0 HG23 VAL D 40 14.184 -7.454 3.650 1.00 0.00 H new ATOM 2494 N ILE D 41 15.320 -6.294 0.083 1.00 0.00 N ATOM 2495 CA ILE D 41 16.313 -7.161 -0.533 1.00 0.00 C ATOM 2496 C ILE D 41 17.715 -6.668 -0.201 1.00 0.00 C ATOM 2497 O ILE D 41 18.146 -5.619 -0.689 1.00 0.00 O ATOM 2498 CB ILE D 41 16.148 -7.221 -2.069 1.00 0.00 C ATOM 2499 CG1 ILE D 41 14.718 -7.633 -2.437 1.00 0.00 C ATOM 2500 CG2 ILE D 41 17.158 -8.191 -2.674 1.00 0.00 C ATOM 2501 CD1 ILE D 41 14.449 -7.636 -3.927 1.00 0.00 C ATOM 0 H ILE D 41 15.313 -5.340 -0.279 1.00 0.00 H new ATOM 0 HA ILE D 41 16.163 -8.164 -0.132 1.00 0.00 H new ATOM 0 HB ILE D 41 16.336 -6.228 -2.478 1.00 0.00 H new ATOM 0 HG12 ILE D 41 14.523 -8.629 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE D 41 14.017 -6.953 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE D 41 17.029 -8.222 -3.756 1.00 0.00 H new ATOM 0 HG22 ILE D 41 18.169 -7.858 -2.438 1.00 0.00 H new ATOM 0 HG23 ILE D 41 16.999 -9.187 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE D 41 13.418 -7.938 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE D 41 14.611 -6.636 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE D 41 15.124 -8.337 -4.417 1.00 0.00 H new ATOM 2513 N ALA D 42 18.410 -7.425 0.630 1.00 0.00 N ATOM 2514 CA ALA D 42 19.754 -7.085 1.064 1.00 0.00 C ATOM 2515 C ALA D 42 20.377 -8.272 1.784 1.00 0.00 C ATOM 2516 O ALA D 42 20.361 -8.287 3.032 1.00 0.00 O ATOM 2517 CB ALA D 42 19.737 -5.858 1.969 1.00 0.00 C ATOM 2518 OXT ALA D 42 20.848 -9.196 1.093 1.00 0.00 O ATOM 0 H ALA D 42 18.056 -8.297 1.024 1.00 0.00 H new ATOM 0 HA ALA D 42 20.356 -6.846 0.187 1.00 0.00 H new ATOM 0 HB1 ALA D 42 20.754 -5.622 2.282 1.00 0.00 H new ATOM 0 HB2 ALA D 42 19.319 -5.011 1.425 1.00 0.00 H new ATOM 0 HB3 ALA D 42 19.126 -6.063 2.848 1.00 0.00 H new