USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 24:sc= 0.108 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0371 (180deg=-0.253) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 86:sc= 0.341 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 30 SER OG : rot 75:sc= 0.709 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 37 THR OG1 : rot 84:sc= 0.428 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.922 X(o=-0.92,f=-0.62) USER MOD Single : A 60 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 64 ASN : amide:sc= 0.00827 X(o=0.0083,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0182 K(o=-0.018,f=-0.53) USER MOD Single : A 74 SER OG : rot 70:sc= 0.771 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.325 1.301 0.665 1.00 75.42 N ATOM 159 CA SER A 12 12.961 2.513 0.205 1.00 24.23 C ATOM 160 C SER A 12 11.891 3.495 -0.305 1.00 72.24 C ATOM 161 O SER A 12 11.952 4.698 -0.031 1.00 54.32 O ATOM 162 CB SER A 12 13.982 2.178 -0.874 1.00 74.12 C ATOM 163 OG SER A 12 14.942 1.219 -0.386 1.00 52.44 O ATOM 0 HA SER A 12 13.491 2.993 1.027 1.00 24.23 H new ATOM 0 HB2 SER A 12 13.474 1.777 -1.751 1.00 74.12 H new ATOM 0 HB3 SER A 12 14.496 3.086 -1.190 1.00 74.12 H new ATOM 0 HG SER A 12 14.550 0.712 0.355 1.00 52.44 H new ATOM 169 N TYR A 13 10.887 2.962 -0.994 1.00 43.24 N ATOM 170 CA TYR A 13 9.751 3.758 -1.428 1.00 71.04 C ATOM 171 C TYR A 13 8.906 4.194 -0.243 1.00 21.21 C ATOM 172 O TYR A 13 8.417 5.311 -0.213 1.00 21.41 O ATOM 173 CB TYR A 13 8.901 3.020 -2.460 1.00 60.03 C ATOM 174 CG TYR A 13 9.406 3.149 -3.878 1.00 35.25 C ATOM 175 CD1 TYR A 13 10.573 2.540 -4.294 1.00 73.41 C ATOM 176 CD2 TYR A 13 8.700 3.905 -4.793 1.00 64.24 C ATOM 177 CE1 TYR A 13 11.023 2.681 -5.590 1.00 74.43 C ATOM 178 CE2 TYR A 13 9.130 4.058 -6.091 1.00 51.30 C ATOM 179 CZ TYR A 13 10.305 3.439 -6.487 1.00 61.25 C ATOM 180 OH TYR A 13 10.761 3.564 -7.780 1.00 52.12 O ATOM 0 H TYR A 13 10.840 1.979 -1.263 1.00 43.24 H new ATOM 0 HA TYR A 13 10.148 4.651 -1.911 1.00 71.04 H new ATOM 0 HB2 TYR A 13 8.861 1.964 -2.194 1.00 60.03 H new ATOM 0 HB3 TYR A 13 7.880 3.399 -2.413 1.00 60.03 H new ATOM 0 HD1 TYR A 13 11.142 1.945 -3.595 1.00 73.41 H new ATOM 0 HD2 TYR A 13 7.786 4.389 -4.481 1.00 64.24 H new ATOM 0 HE1 TYR A 13 11.937 2.197 -5.901 1.00 74.43 H new ATOM 0 HE2 TYR A 13 8.560 4.652 -6.791 1.00 51.30 H new ATOM 0 HH TYR A 13 10.145 4.129 -8.291 1.00 52.12 H new ATOM 190 N VAL A 14 8.752 3.313 0.735 1.00 54.24 N ATOM 191 CA VAL A 14 8.019 3.640 1.951 1.00 45.13 C ATOM 192 C VAL A 14 8.715 4.767 2.702 1.00 51.51 C ATOM 193 O VAL A 14 8.087 5.740 3.069 1.00 64.21 O ATOM 194 CB VAL A 14 7.835 2.419 2.895 1.00 13.24 C ATOM 195 CG1 VAL A 14 7.137 2.841 4.182 1.00 43.40 C ATOM 196 CG2 VAL A 14 7.038 1.320 2.208 1.00 32.41 C ATOM 0 H VAL A 14 9.125 2.364 0.711 1.00 54.24 H new ATOM 0 HA VAL A 14 7.025 3.959 1.637 1.00 45.13 H new ATOM 0 HB VAL A 14 8.823 2.030 3.140 1.00 13.24 H new ATOM 0 HG11 VAL A 14 7.016 1.974 4.831 1.00 43.40 H new ATOM 0 HG12 VAL A 14 7.737 3.595 4.691 1.00 43.40 H new ATOM 0 HG13 VAL A 14 6.157 3.256 3.945 1.00 43.40 H new ATOM 0 HG21 VAL A 14 6.922 0.476 2.888 1.00 32.41 H new ATOM 0 HG22 VAL A 14 6.055 1.702 1.932 1.00 32.41 H new ATOM 0 HG23 VAL A 14 7.565 0.994 1.311 1.00 32.41 H new ATOM 206 N ASN A 15 10.017 4.632 2.903 1.00 73.00 N ATOM 207 CA ASN A 15 10.835 5.636 3.564 1.00 51.22 C ATOM 208 C ASN A 15 10.737 6.976 2.832 1.00 41.24 C ATOM 209 O ASN A 15 10.746 8.059 3.450 1.00 2.22 O ATOM 210 CB ASN A 15 12.272 5.171 3.570 1.00 44.24 C ATOM 211 CG ASN A 15 13.123 5.958 4.514 1.00 63.02 C ATOM 212 OD1 ASN A 15 13.711 6.975 4.155 1.00 13.03 O ATOM 213 ND2 ASN A 15 13.210 5.490 5.716 1.00 60.13 N ATOM 0 H ASN A 15 10.542 3.809 2.607 1.00 73.00 H new ATOM 0 HA ASN A 15 10.478 5.771 4.585 1.00 51.22 H new ATOM 0 HB2 ASN A 15 12.309 4.117 3.845 1.00 44.24 H new ATOM 0 HB3 ASN A 15 12.681 5.252 2.563 1.00 44.24 H new ATOM 0 HD21 ASN A 15 13.784 5.969 6.409 1.00 60.13 H new ATOM 0 HD22 ASN A 15 12.704 4.642 5.971 1.00 60.13 H new ATOM 220 N LYS A 16 10.629 6.889 1.522 1.00 3.23 N ATOM 221 CA LYS A 16 10.446 8.033 0.676 1.00 41.05 C ATOM 222 C LYS A 16 9.105 8.697 1.009 1.00 4.42 C ATOM 223 O LYS A 16 9.032 9.918 1.148 1.00 30.04 O ATOM 224 CB LYS A 16 10.489 7.579 -0.771 1.00 74.23 C ATOM 225 CG LYS A 16 10.381 8.652 -1.787 1.00 5.21 C ATOM 226 CD LYS A 16 10.449 8.028 -3.149 1.00 52.52 C ATOM 227 CE LYS A 16 10.397 9.066 -4.224 1.00 5.42 C ATOM 228 NZ LYS A 16 11.573 9.958 -4.196 1.00 23.23 N ATOM 0 H LYS A 16 10.667 6.005 1.015 1.00 3.23 H new ATOM 0 HA LYS A 16 11.238 8.764 0.838 1.00 41.05 H new ATOM 0 HB2 LYS A 16 11.423 7.041 -0.936 1.00 74.23 H new ATOM 0 HB3 LYS A 16 9.679 6.868 -0.933 1.00 74.23 H new ATOM 0 HG2 LYS A 16 9.444 9.195 -1.666 1.00 5.21 H new ATOM 0 HG3 LYS A 16 11.187 9.375 -1.661 1.00 5.21 H new ATOM 0 HD2 LYS A 16 11.369 7.451 -3.242 1.00 52.52 H new ATOM 0 HD3 LYS A 16 9.621 7.330 -3.274 1.00 52.52 H new ATOM 0 HE2 LYS A 16 10.337 8.577 -5.196 1.00 5.42 H new ATOM 0 HE3 LYS A 16 9.490 9.660 -4.110 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 11.619 10.500 -5.083 1.00 23.23 H new ATOM 0 HZ2 LYS A 16 11.492 10.614 -3.393 1.00 23.23 H new ATOM 0 HZ3 LYS A 16 12.438 9.389 -4.093 1.00 23.23 H new ATOM 242 N ILE A 17 8.063 7.878 1.176 1.00 45.41 N ATOM 243 CA ILE A 17 6.749 8.336 1.580 1.00 71.43 C ATOM 244 C ILE A 17 6.850 9.033 2.930 1.00 31.05 C ATOM 245 O ILE A 17 6.381 10.163 3.086 1.00 62.50 O ATOM 246 CB ILE A 17 5.762 7.148 1.730 1.00 44.32 C ATOM 247 CG1 ILE A 17 5.590 6.401 0.411 1.00 55.45 C ATOM 248 CG2 ILE A 17 4.430 7.637 2.243 1.00 14.41 C ATOM 249 CD1 ILE A 17 4.687 5.181 0.494 1.00 33.45 C ATOM 0 H ILE A 17 8.118 6.870 1.031 1.00 45.41 H new ATOM 0 HA ILE A 17 6.381 9.016 0.812 1.00 71.43 H new ATOM 0 HB ILE A 17 6.181 6.449 2.454 1.00 44.32 H new ATOM 0 HG12 ILE A 17 5.185 7.088 -0.332 1.00 55.45 H new ATOM 0 HG13 ILE A 17 6.571 6.088 0.054 1.00 55.45 H new ATOM 0 HG21 ILE A 17 3.747 6.794 2.344 1.00 14.41 H new ATOM 0 HG22 ILE A 17 4.566 8.111 3.215 1.00 14.41 H new ATOM 0 HG23 ILE A 17 4.013 8.360 1.542 1.00 14.41 H new ATOM 0 HD11 ILE A 17 4.620 4.710 -0.487 1.00 33.45 H new ATOM 0 HD12 ILE A 17 5.100 4.471 1.210 1.00 33.45 H new ATOM 0 HD13 ILE A 17 3.692 5.486 0.818 1.00 33.45 H new ATOM 261 N LYS A 18 7.505 8.351 3.882 1.00 20.01 N ATOM 262 CA LYS A 18 7.684 8.836 5.243 1.00 25.31 C ATOM 263 C LYS A 18 8.259 10.245 5.238 1.00 75.14 C ATOM 264 O LYS A 18 7.831 11.068 5.976 1.00 53.34 O ATOM 265 CB LYS A 18 8.653 7.929 6.025 1.00 31.23 C ATOM 266 CG LYS A 18 8.305 6.462 5.985 1.00 23.14 C ATOM 267 CD LYS A 18 9.161 5.625 6.881 1.00 62.25 C ATOM 268 CE LYS A 18 8.635 5.739 8.258 1.00 65.43 C ATOM 269 NZ LYS A 18 9.379 4.927 9.233 1.00 51.30 N ATOM 0 H LYS A 18 7.927 7.437 3.718 1.00 20.01 H new ATOM 0 HA LYS A 18 6.704 8.832 5.720 1.00 25.31 H new ATOM 0 HB2 LYS A 18 9.658 8.062 5.625 1.00 31.23 H new ATOM 0 HB3 LYS A 18 8.678 8.256 7.065 1.00 31.23 H new ATOM 0 HG2 LYS A 18 7.261 6.336 6.270 1.00 23.14 H new ATOM 0 HG3 LYS A 18 8.401 6.101 4.961 1.00 23.14 H new ATOM 0 HD2 LYS A 18 9.150 4.585 6.555 1.00 62.25 H new ATOM 0 HD3 LYS A 18 10.197 5.961 6.840 1.00 62.25 H new ATOM 0 HE2 LYS A 18 8.666 6.784 8.566 1.00 65.43 H new ATOM 0 HE3 LYS A 18 7.588 5.436 8.266 1.00 65.43 H new ATOM 0 HZ1 LYS A 18 8.962 5.050 10.178 1.00 51.30 H new ATOM 0 HZ2 LYS A 18 9.329 3.925 8.960 1.00 51.30 H new ATOM 0 HZ3 LYS A 18 10.373 5.231 9.251 1.00 51.30 H new ATOM 283 N THR A 19 9.249 10.460 4.391 1.00 53.34 N ATOM 284 CA THR A 19 9.953 11.701 4.215 1.00 23.33 C ATOM 285 C THR A 19 9.114 12.768 3.447 1.00 54.44 C ATOM 286 O THR A 19 9.126 13.954 3.781 1.00 42.43 O ATOM 287 CB THR A 19 11.225 11.346 3.425 1.00 41.20 C ATOM 288 OG1 THR A 19 12.152 10.576 4.214 1.00 71.44 O ATOM 289 CG2 THR A 19 11.871 12.525 2.763 1.00 45.22 C ATOM 0 H THR A 19 9.598 9.725 3.775 1.00 53.34 H new ATOM 0 HA THR A 19 10.173 12.150 5.183 1.00 23.33 H new ATOM 0 HB THR A 19 10.897 10.707 2.605 1.00 41.20 H new ATOM 0 HG1 THR A 19 11.922 9.625 4.154 1.00 71.44 H new ATOM 0 HG21 THR A 19 12.761 12.198 2.225 1.00 45.22 H new ATOM 0 HG22 THR A 19 11.170 12.978 2.062 1.00 45.22 H new ATOM 0 HG23 THR A 19 12.153 13.258 3.519 1.00 45.22 H new ATOM 297 N ARG A 20 8.427 12.347 2.428 1.00 30.53 N ATOM 298 CA ARG A 20 7.683 13.261 1.588 1.00 40.14 C ATOM 299 C ARG A 20 6.431 13.765 2.246 1.00 63.30 C ATOM 300 O ARG A 20 6.035 14.913 2.063 1.00 72.24 O ATOM 301 CB ARG A 20 7.433 12.632 0.230 1.00 0.23 C ATOM 302 CG ARG A 20 8.678 12.660 -0.655 1.00 13.25 C ATOM 303 CD ARG A 20 9.031 14.087 -1.062 1.00 50.04 C ATOM 304 NE ARG A 20 10.252 14.162 -1.868 1.00 20.42 N ATOM 305 CZ ARG A 20 11.025 15.253 -1.968 1.00 60.13 C ATOM 306 NH1 ARG A 20 10.736 16.352 -1.265 1.00 32.11 N ATOM 307 NH2 ARG A 20 12.093 15.236 -2.757 1.00 13.23 N ATOM 0 H ARG A 20 8.361 11.368 2.149 1.00 30.53 H new ATOM 0 HA ARG A 20 8.291 14.152 1.433 1.00 40.14 H new ATOM 0 HB2 ARG A 20 7.107 11.601 0.363 1.00 0.23 H new ATOM 0 HB3 ARG A 20 6.622 13.161 -0.270 1.00 0.23 H new ATOM 0 HG2 ARG A 20 9.517 12.213 -0.122 1.00 13.25 H new ATOM 0 HG3 ARG A 20 8.508 12.056 -1.546 1.00 13.25 H new ATOM 0 HD2 ARG A 20 8.202 14.515 -1.626 1.00 50.04 H new ATOM 0 HD3 ARG A 20 9.155 14.695 -0.166 1.00 50.04 H new ATOM 0 HE ARG A 20 10.532 13.330 -2.387 1.00 20.42 H new ATOM 0 HH11 ARG A 20 9.924 16.364 -0.648 1.00 32.11 H new ATOM 0 HH12 ARG A 20 11.328 17.179 -1.345 1.00 32.11 H new ATOM 0 HH21 ARG A 20 12.324 14.394 -3.285 1.00 13.23 H new ATOM 0 HH22 ARG A 20 12.683 16.065 -2.835 1.00 13.23 H new ATOM 321 N PHE A 21 5.856 12.942 3.050 1.00 40.11 N ATOM 322 CA PHE A 21 4.667 13.273 3.783 1.00 33.22 C ATOM 323 C PHE A 21 5.028 13.248 5.259 1.00 43.10 C ATOM 324 O PHE A 21 4.213 12.951 6.119 1.00 0.12 O ATOM 325 CB PHE A 21 3.587 12.240 3.465 1.00 22.41 C ATOM 326 CG PHE A 21 3.247 12.138 1.992 1.00 13.31 C ATOM 327 CD1 PHE A 21 3.961 11.288 1.154 1.00 34.13 C ATOM 328 CD2 PHE A 21 2.204 12.865 1.456 1.00 53.02 C ATOM 329 CE1 PHE A 21 3.640 11.169 -0.174 1.00 24.41 C ATOM 330 CE2 PHE A 21 1.878 12.756 0.120 1.00 50.21 C ATOM 331 CZ PHE A 21 2.596 11.906 -0.697 1.00 23.52 C ATOM 0 H PHE A 21 6.200 11.998 3.226 1.00 40.11 H new ATOM 0 HA PHE A 21 4.284 14.257 3.514 1.00 33.22 H new ATOM 0 HB2 PHE A 21 3.917 11.264 3.820 1.00 22.41 H new ATOM 0 HB3 PHE A 21 2.683 12.492 4.020 1.00 22.41 H new ATOM 0 HD1 PHE A 21 4.782 10.712 1.556 1.00 34.13 H new ATOM 0 HD2 PHE A 21 1.635 13.528 2.091 1.00 53.02 H new ATOM 0 HE1 PHE A 21 4.202 10.501 -0.809 1.00 24.41 H new ATOM 0 HE2 PHE A 21 1.062 13.335 -0.286 1.00 50.21 H new ATOM 0 HZ PHE A 21 2.342 11.818 -1.743 1.00 23.52 H new ATOM 341 N LEU A 22 6.260 13.654 5.523 1.00 43.41 N ATOM 342 CA LEU A 22 6.888 13.606 6.841 1.00 33.23 C ATOM 343 C LEU A 22 6.136 14.460 7.841 1.00 5.51 C ATOM 344 O LEU A 22 5.994 14.104 9.015 1.00 61.55 O ATOM 345 CB LEU A 22 8.357 14.077 6.711 1.00 14.14 C ATOM 346 CG LEU A 22 9.433 13.265 7.399 1.00 30.42 C ATOM 347 CD1 LEU A 22 10.782 13.926 7.243 1.00 72.22 C ATOM 348 CD2 LEU A 22 9.114 13.057 8.818 1.00 32.45 C ATOM 0 H LEU A 22 6.873 14.039 4.805 1.00 43.41 H new ATOM 0 HA LEU A 22 6.862 12.581 7.212 1.00 33.23 H new ATOM 0 HB2 LEU A 22 8.600 14.120 5.649 1.00 14.14 H new ATOM 0 HB3 LEU A 22 8.415 15.097 7.092 1.00 14.14 H new ATOM 0 HG LEU A 22 9.474 12.287 6.920 1.00 30.42 H new ATOM 0 HD11 LEU A 22 11.541 13.326 7.745 1.00 72.22 H new ATOM 0 HD12 LEU A 22 11.026 14.009 6.184 1.00 72.22 H new ATOM 0 HD13 LEU A 22 10.753 14.921 7.688 1.00 72.22 H new ATOM 0 HD21 LEU A 22 9.904 12.471 9.286 1.00 32.45 H new ATOM 0 HD22 LEU A 22 9.033 14.022 9.318 1.00 32.45 H new ATOM 0 HD23 LEU A 22 8.167 12.524 8.904 1.00 32.45 H new ATOM 360 N ASP A 23 5.630 15.553 7.370 1.00 45.30 N ATOM 361 CA ASP A 23 4.916 16.486 8.215 1.00 33.52 C ATOM 362 C ASP A 23 3.431 16.114 8.333 1.00 71.13 C ATOM 363 O ASP A 23 2.698 16.638 9.172 1.00 1.24 O ATOM 364 CB ASP A 23 5.114 17.908 7.685 1.00 22.11 C ATOM 365 CG ASP A 23 4.338 18.950 8.441 1.00 11.11 C ATOM 366 OD1 ASP A 23 4.633 19.185 9.635 1.00 71.31 O ATOM 367 OD2 ASP A 23 3.405 19.547 7.859 1.00 62.21 O ATOM 0 H ASP A 23 5.694 15.834 6.392 1.00 45.30 H new ATOM 0 HA ASP A 23 5.324 16.436 9.225 1.00 33.52 H new ATOM 0 HB2 ASP A 23 6.174 18.157 7.726 1.00 22.11 H new ATOM 0 HB3 ASP A 23 4.820 17.939 6.636 1.00 22.11 H new ATOM 372 N HIS A 24 3.003 15.165 7.544 1.00 35.42 N ATOM 373 CA HIS A 24 1.612 14.759 7.538 1.00 24.42 C ATOM 374 C HIS A 24 1.469 13.273 7.815 1.00 52.22 C ATOM 375 O HIS A 24 1.341 12.456 6.890 1.00 24.41 O ATOM 376 CB HIS A 24 0.915 15.143 6.238 1.00 52.31 C ATOM 377 CG HIS A 24 0.597 16.599 6.112 1.00 4.22 C ATOM 378 ND1 HIS A 24 1.510 17.565 5.775 1.00 74.23 N ATOM 379 CD2 HIS A 24 -0.573 17.245 6.301 1.00 4.53 C ATOM 380 CE1 HIS A 24 0.892 18.741 5.772 1.00 71.50 C ATOM 381 NE2 HIS A 24 -0.381 18.609 6.087 1.00 13.21 N ATOM 0 H HIS A 24 3.597 14.653 6.892 1.00 35.42 H new ATOM 0 HA HIS A 24 1.117 15.300 8.345 1.00 24.42 H new ATOM 0 HB2 HIS A 24 1.547 14.848 5.401 1.00 52.31 H new ATOM 0 HB3 HIS A 24 -0.010 14.573 6.155 1.00 52.31 H new ATOM 0 HD2 HIS A 24 -1.508 16.779 6.574 1.00 4.53 H new ATOM 0 HE1 HIS A 24 1.370 19.682 5.542 1.00 71.50 H new ATOM 0 HE2 HIS A 24 -1.079 19.349 6.159 1.00 13.21 H new ATOM 389 N PRO A 25 1.467 12.894 9.100 1.00 44.24 N ATOM 390 CA PRO A 25 1.438 11.499 9.509 1.00 30.32 C ATOM 391 C PRO A 25 0.105 10.840 9.196 1.00 13.53 C ATOM 392 O PRO A 25 0.037 9.642 9.022 1.00 21.31 O ATOM 393 CB PRO A 25 1.676 11.545 11.022 1.00 44.40 C ATOM 394 CG PRO A 25 2.076 12.948 11.329 1.00 71.25 C ATOM 395 CD PRO A 25 1.480 13.796 10.261 1.00 51.55 C ATOM 0 HA PRO A 25 2.184 10.908 8.977 1.00 30.32 H new ATOM 0 HB2 PRO A 25 0.774 11.267 11.568 1.00 44.40 H new ATOM 0 HB3 PRO A 25 2.456 10.843 11.316 1.00 44.40 H new ATOM 0 HG2 PRO A 25 1.714 13.249 12.312 1.00 71.25 H new ATOM 0 HG3 PRO A 25 3.161 13.048 11.345 1.00 71.25 H new ATOM 0 HD2 PRO A 25 0.477 14.132 10.524 1.00 51.55 H new ATOM 0 HD3 PRO A 25 2.076 14.689 10.073 1.00 51.55 H new ATOM 403 N GLU A 26 -0.942 11.648 9.083 1.00 74.10 N ATOM 404 CA GLU A 26 -2.276 11.175 8.773 1.00 33.44 C ATOM 405 C GLU A 26 -2.325 10.607 7.359 1.00 73.14 C ATOM 406 O GLU A 26 -3.113 9.748 7.079 1.00 32.25 O ATOM 407 CB GLU A 26 -3.272 12.315 8.924 1.00 23.11 C ATOM 408 CG GLU A 26 -3.113 13.407 7.893 1.00 11.41 C ATOM 409 CD GLU A 26 -4.079 14.536 8.091 1.00 50.34 C ATOM 410 OE1 GLU A 26 -5.269 14.393 7.755 1.00 4.34 O ATOM 411 OE2 GLU A 26 -3.676 15.590 8.580 1.00 54.13 O ATOM 0 H GLU A 26 -0.883 12.659 9.206 1.00 74.10 H new ATOM 0 HA GLU A 26 -2.541 10.379 9.469 1.00 33.44 H new ATOM 0 HB2 GLU A 26 -4.283 11.912 8.859 1.00 23.11 H new ATOM 0 HB3 GLU A 26 -3.165 12.749 9.918 1.00 23.11 H new ATOM 0 HG2 GLU A 26 -2.095 13.794 7.934 1.00 11.41 H new ATOM 0 HG3 GLU A 26 -3.253 12.985 6.898 1.00 11.41 H new ATOM 418 N ILE A 27 -1.455 11.082 6.489 1.00 73.52 N ATOM 419 CA ILE A 27 -1.385 10.593 5.126 1.00 52.02 C ATOM 420 C ILE A 27 -0.762 9.221 5.137 1.00 23.01 C ATOM 421 O ILE A 27 -1.263 8.286 4.515 1.00 63.42 O ATOM 422 CB ILE A 27 -0.570 11.581 4.269 1.00 74.15 C ATOM 423 CG1 ILE A 27 -1.324 12.918 4.254 1.00 61.43 C ATOM 424 CG2 ILE A 27 -0.318 11.045 2.857 1.00 62.14 C ATOM 425 CD1 ILE A 27 -0.718 13.974 3.382 1.00 44.21 C ATOM 0 H ILE A 27 -0.779 11.815 6.706 1.00 73.52 H new ATOM 0 HA ILE A 27 -2.381 10.517 4.690 1.00 52.02 H new ATOM 0 HB ILE A 27 0.420 11.720 4.704 1.00 74.15 H new ATOM 0 HG12 ILE A 27 -2.347 12.738 3.924 1.00 61.43 H new ATOM 0 HG13 ILE A 27 -1.381 13.298 5.274 1.00 61.43 H new ATOM 0 HG21 ILE A 27 0.260 11.774 2.289 1.00 62.14 H new ATOM 0 HG22 ILE A 27 0.237 10.109 2.917 1.00 62.14 H new ATOM 0 HG23 ILE A 27 -1.272 10.870 2.359 1.00 62.14 H new ATOM 0 HD11 ILE A 27 -1.320 14.881 3.437 1.00 44.21 H new ATOM 0 HD12 ILE A 27 0.295 14.190 3.722 1.00 44.21 H new ATOM 0 HD13 ILE A 27 -0.687 13.621 2.351 1.00 44.21 H new ATOM 437 N TYR A 28 0.284 9.097 5.921 1.00 54.14 N ATOM 438 CA TYR A 28 0.969 7.841 6.110 1.00 0.43 C ATOM 439 C TYR A 28 -0.014 6.856 6.770 1.00 4.33 C ATOM 440 O TYR A 28 -0.190 5.729 6.323 1.00 32.43 O ATOM 441 CB TYR A 28 2.158 8.068 7.046 1.00 74.42 C ATOM 442 CG TYR A 28 3.191 6.971 7.030 1.00 20.33 C ATOM 443 CD1 TYR A 28 4.152 6.914 6.029 1.00 11.41 C ATOM 444 CD2 TYR A 28 3.202 5.986 8.001 1.00 22.52 C ATOM 445 CE1 TYR A 28 5.084 5.912 6.004 1.00 13.01 C ATOM 446 CE2 TYR A 28 4.143 4.978 7.982 1.00 25.34 C ATOM 447 CZ TYR A 28 5.078 4.947 6.984 1.00 1.43 C ATOM 448 OH TYR A 28 6.021 3.951 6.964 1.00 61.14 O ATOM 0 H TYR A 28 0.686 9.872 6.449 1.00 54.14 H new ATOM 0 HA TYR A 28 1.321 7.444 5.158 1.00 0.43 H new ATOM 0 HB2 TYR A 28 2.641 9.007 6.776 1.00 74.42 H new ATOM 0 HB3 TYR A 28 1.785 8.182 8.064 1.00 74.42 H new ATOM 0 HD1 TYR A 28 4.164 7.671 5.259 1.00 11.41 H new ATOM 0 HD2 TYR A 28 2.462 6.007 8.787 1.00 22.52 H new ATOM 0 HE1 TYR A 28 5.822 5.879 5.217 1.00 13.01 H new ATOM 0 HE2 TYR A 28 4.142 4.218 8.750 1.00 25.34 H new ATOM 0 HH TYR A 28 5.879 3.351 7.726 1.00 61.14 H new ATOM 458 N ARG A 29 -0.676 7.338 7.815 1.00 51.21 N ATOM 459 CA ARG A 29 -1.618 6.605 8.579 1.00 51.22 C ATOM 460 C ARG A 29 -2.857 6.182 7.769 1.00 34.35 C ATOM 461 O ARG A 29 -3.302 5.042 7.887 1.00 44.32 O ATOM 462 CB ARG A 29 -1.957 7.432 9.793 1.00 75.24 C ATOM 463 CG ARG A 29 -2.842 6.775 10.779 1.00 61.31 C ATOM 464 CD ARG A 29 -4.281 7.121 10.531 1.00 33.15 C ATOM 465 NE ARG A 29 -5.192 6.404 11.443 1.00 31.12 N ATOM 466 CZ ARG A 29 -6.449 5.998 11.173 1.00 75.31 C ATOM 467 NH1 ARG A 29 -6.950 6.080 9.946 1.00 52.43 N ATOM 468 NH2 ARG A 29 -7.180 5.450 12.133 1.00 23.44 N ATOM 0 H ARG A 29 -0.549 8.293 8.149 1.00 51.21 H new ATOM 0 HA ARG A 29 -1.180 5.657 8.891 1.00 51.22 H new ATOM 0 HB2 ARG A 29 -1.029 7.712 10.292 1.00 75.24 H new ATOM 0 HB3 ARG A 29 -2.432 8.356 9.462 1.00 75.24 H new ATOM 0 HG2 ARG A 29 -2.711 5.694 10.726 1.00 61.31 H new ATOM 0 HG3 ARG A 29 -2.560 7.082 11.786 1.00 61.31 H new ATOM 0 HD2 ARG A 29 -4.420 8.195 10.652 1.00 33.15 H new ATOM 0 HD3 ARG A 29 -4.538 6.880 9.500 1.00 33.15 H new ATOM 0 HE ARG A 29 -4.834 6.194 12.375 1.00 31.12 H new ATOM 0 HH11 ARG A 29 -6.381 6.456 9.187 1.00 52.43 H new ATOM 0 HH12 ARG A 29 -7.903 5.767 9.762 1.00 52.43 H new ATOM 0 HH21 ARG A 29 -6.791 5.338 13.069 1.00 23.44 H new ATOM 0 HH22 ARG A 29 -8.132 5.141 11.936 1.00 23.44 H new ATOM 482 N SER A 30 -3.415 7.090 6.954 1.00 12.31 N ATOM 483 CA SER A 30 -4.549 6.747 6.082 1.00 34.21 C ATOM 484 C SER A 30 -4.154 5.658 5.122 1.00 0.21 C ATOM 485 O SER A 30 -4.958 4.873 4.696 1.00 44.04 O ATOM 486 CB SER A 30 -5.061 7.961 5.295 1.00 52.13 C ATOM 487 OG SER A 30 -5.662 8.925 6.138 1.00 32.31 O ATOM 0 H SER A 30 -3.103 8.058 6.880 1.00 12.31 H new ATOM 0 HA SER A 30 -5.357 6.400 6.726 1.00 34.21 H new ATOM 0 HB2 SER A 30 -4.232 8.418 4.755 1.00 52.13 H new ATOM 0 HB3 SER A 30 -5.784 7.631 4.549 1.00 52.13 H new ATOM 0 HG SER A 30 -4.966 9.406 6.633 1.00 32.31 H new ATOM 493 N PHE A 31 -2.925 5.643 4.750 1.00 42.53 N ATOM 494 CA PHE A 31 -2.451 4.602 3.925 1.00 43.24 C ATOM 495 C PHE A 31 -2.263 3.293 4.709 1.00 71.14 C ATOM 496 O PHE A 31 -2.630 2.211 4.231 1.00 20.24 O ATOM 497 CB PHE A 31 -1.212 5.021 3.175 1.00 4.01 C ATOM 498 CG PHE A 31 -0.501 3.844 2.613 1.00 74.24 C ATOM 499 CD1 PHE A 31 -1.006 3.190 1.516 1.00 64.25 C ATOM 500 CD2 PHE A 31 0.636 3.357 3.225 1.00 35.41 C ATOM 501 CE1 PHE A 31 -0.398 2.070 1.021 1.00 41.52 C ATOM 502 CE2 PHE A 31 1.269 2.236 2.736 1.00 2.34 C ATOM 503 CZ PHE A 31 0.750 1.584 1.626 1.00 70.44 C ATOM 0 H PHE A 31 -2.230 6.344 5.007 1.00 42.53 H new ATOM 0 HA PHE A 31 -3.214 4.395 3.175 1.00 43.24 H new ATOM 0 HB2 PHE A 31 -1.484 5.703 2.370 1.00 4.01 H new ATOM 0 HB3 PHE A 31 -0.546 5.567 3.844 1.00 4.01 H new ATOM 0 HD1 PHE A 31 -1.898 3.566 1.037 1.00 64.25 H new ATOM 0 HD2 PHE A 31 1.033 3.859 4.095 1.00 35.41 H new ATOM 0 HE1 PHE A 31 -0.811 1.565 0.160 1.00 41.52 H new ATOM 0 HE2 PHE A 31 2.164 1.866 3.214 1.00 2.34 H new ATOM 0 HZ PHE A 31 1.238 0.703 1.236 1.00 70.44 H new ATOM 513 N LEU A 32 -1.689 3.390 5.896 1.00 64.12 N ATOM 514 CA LEU A 32 -1.482 2.236 6.756 1.00 72.31 C ATOM 515 C LEU A 32 -2.784 1.542 7.058 1.00 61.05 C ATOM 516 O LEU A 32 -2.827 0.313 7.157 1.00 64.22 O ATOM 517 CB LEU A 32 -0.820 2.643 8.057 1.00 74.55 C ATOM 518 CG LEU A 32 0.589 3.193 7.964 1.00 20.32 C ATOM 519 CD1 LEU A 32 1.058 3.581 9.341 1.00 43.12 C ATOM 520 CD2 LEU A 32 1.542 2.180 7.326 1.00 21.55 C ATOM 0 H LEU A 32 -1.354 4.269 6.291 1.00 64.12 H new ATOM 0 HA LEU A 32 -0.829 1.547 6.220 1.00 72.31 H new ATOM 0 HB2 LEU A 32 -1.447 3.395 8.537 1.00 74.55 H new ATOM 0 HB3 LEU A 32 -0.803 1.775 8.716 1.00 74.55 H new ATOM 0 HG LEU A 32 0.584 4.074 7.322 1.00 20.32 H new ATOM 0 HD11 LEU A 32 2.072 3.978 9.282 1.00 43.12 H new ATOM 0 HD12 LEU A 32 0.394 4.342 9.751 1.00 43.12 H new ATOM 0 HD13 LEU A 32 1.049 2.705 9.989 1.00 43.12 H new ATOM 0 HD21 LEU A 32 2.544 2.606 7.274 1.00 21.55 H new ATOM 0 HD22 LEU A 32 1.564 1.272 7.928 1.00 21.55 H new ATOM 0 HD23 LEU A 32 1.197 1.940 6.320 1.00 21.55 H new ATOM 532 N GLU A 33 -3.845 2.326 7.178 1.00 32.00 N ATOM 533 CA GLU A 33 -5.152 1.794 7.449 1.00 14.14 C ATOM 534 C GLU A 33 -5.610 0.936 6.256 1.00 30.44 C ATOM 535 O GLU A 33 -6.163 -0.130 6.443 1.00 21.20 O ATOM 536 CB GLU A 33 -6.162 2.925 7.769 1.00 11.14 C ATOM 537 CG GLU A 33 -6.775 3.621 6.558 1.00 13.22 C ATOM 538 CD GLU A 33 -7.757 4.699 6.912 1.00 30.34 C ATOM 539 OE1 GLU A 33 -7.347 5.849 7.197 1.00 34.15 O ATOM 540 OE2 GLU A 33 -8.970 4.425 6.877 1.00 72.00 O ATOM 0 H GLU A 33 -3.814 3.342 7.089 1.00 32.00 H new ATOM 0 HA GLU A 33 -5.106 1.160 8.334 1.00 14.14 H new ATOM 0 HB2 GLU A 33 -6.968 2.508 8.373 1.00 11.14 H new ATOM 0 HB3 GLU A 33 -5.660 3.674 8.381 1.00 11.14 H new ATOM 0 HG2 GLU A 33 -5.976 4.054 5.956 1.00 13.22 H new ATOM 0 HG3 GLU A 33 -7.274 2.877 5.937 1.00 13.22 H new ATOM 547 N ILE A 34 -5.293 1.392 5.033 1.00 34.12 N ATOM 548 CA ILE A 34 -5.625 0.703 3.813 1.00 73.51 C ATOM 549 C ILE A 34 -4.863 -0.596 3.749 1.00 34.25 C ATOM 550 O ILE A 34 -5.428 -1.631 3.465 1.00 25.54 O ATOM 551 CB ILE A 34 -5.253 1.577 2.589 1.00 15.54 C ATOM 552 CG1 ILE A 34 -6.051 2.872 2.609 1.00 13.22 C ATOM 553 CG2 ILE A 34 -5.456 0.825 1.277 1.00 22.13 C ATOM 554 CD1 ILE A 34 -5.599 3.872 1.585 1.00 13.22 C ATOM 0 H ILE A 34 -4.790 2.266 4.881 1.00 34.12 H new ATOM 0 HA ILE A 34 -6.697 0.504 3.797 1.00 73.51 H new ATOM 0 HB ILE A 34 -4.193 1.820 2.656 1.00 15.54 H new ATOM 0 HG12 ILE A 34 -7.103 2.643 2.441 1.00 13.22 H new ATOM 0 HG13 ILE A 34 -5.976 3.320 3.600 1.00 13.22 H new ATOM 0 HG21 ILE A 34 -5.185 1.471 0.442 1.00 22.13 H new ATOM 0 HG22 ILE A 34 -4.827 -0.065 1.267 1.00 22.13 H new ATOM 0 HG23 ILE A 34 -6.502 0.532 1.184 1.00 22.13 H new ATOM 0 HD11 ILE A 34 -6.213 4.770 1.658 1.00 13.22 H new ATOM 0 HD12 ILE A 34 -4.555 4.130 1.765 1.00 13.22 H new ATOM 0 HD13 ILE A 34 -5.700 3.443 0.588 1.00 13.22 H new ATOM 566 N LEU A 35 -3.586 -0.536 4.052 1.00 74.24 N ATOM 567 CA LEU A 35 -2.742 -1.689 4.014 1.00 43.22 C ATOM 568 C LEU A 35 -3.211 -2.707 5.075 1.00 72.41 C ATOM 569 O LEU A 35 -3.258 -3.902 4.809 1.00 72.12 O ATOM 570 CB LEU A 35 -1.299 -1.236 4.243 1.00 23.45 C ATOM 571 CG LEU A 35 -0.169 -2.091 3.647 1.00 51.14 C ATOM 572 CD1 LEU A 35 -0.086 -3.477 4.271 1.00 72.10 C ATOM 573 CD2 LEU A 35 -0.303 -2.193 2.129 1.00 1.52 C ATOM 0 H LEU A 35 -3.110 0.322 4.332 1.00 74.24 H new ATOM 0 HA LEU A 35 -2.797 -2.186 3.045 1.00 43.22 H new ATOM 0 HB2 LEU A 35 -1.199 -0.226 3.844 1.00 23.45 H new ATOM 0 HB3 LEU A 35 -1.136 -1.171 5.319 1.00 23.45 H new ATOM 0 HG LEU A 35 0.764 -1.580 3.885 1.00 51.14 H new ATOM 0 HD11 LEU A 35 0.730 -4.035 3.811 1.00 72.10 H new ATOM 0 HD12 LEU A 35 0.097 -3.384 5.342 1.00 72.10 H new ATOM 0 HD13 LEU A 35 -1.025 -4.006 4.108 1.00 72.10 H new ATOM 0 HD21 LEU A 35 0.509 -2.803 1.732 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -1.259 -2.653 1.878 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -0.255 -1.196 1.692 1.00 1.52 H new ATOM 585 N HIS A 36 -3.615 -2.212 6.239 1.00 23.20 N ATOM 586 CA HIS A 36 -4.092 -3.073 7.322 1.00 31.43 C ATOM 587 C HIS A 36 -5.439 -3.693 6.903 1.00 32.12 C ATOM 588 O HIS A 36 -5.694 -4.884 7.115 1.00 23.41 O ATOM 589 CB HIS A 36 -4.247 -2.258 8.615 1.00 13.15 C ATOM 590 CG HIS A 36 -4.201 -3.081 9.868 1.00 54.33 C ATOM 591 ND1 HIS A 36 -3.359 -2.815 10.921 1.00 43.13 N ATOM 592 CD2 HIS A 36 -4.901 -4.178 10.224 1.00 34.21 C ATOM 593 CE1 HIS A 36 -3.560 -3.730 11.857 1.00 2.33 C ATOM 594 NE2 HIS A 36 -4.495 -4.594 11.485 1.00 41.43 N ATOM 0 H HIS A 36 -3.623 -1.216 6.460 1.00 23.20 H new ATOM 0 HA HIS A 36 -3.371 -3.869 7.511 1.00 31.43 H new ATOM 0 HB2 HIS A 36 -3.456 -1.509 8.656 1.00 13.15 H new ATOM 0 HB3 HIS A 36 -5.194 -1.720 8.581 1.00 13.15 H new ATOM 0 HD2 HIS A 36 -5.659 -4.658 9.622 1.00 34.21 H new ATOM 0 HE1 HIS A 36 -3.032 -3.768 12.799 1.00 2.33 H new ATOM 0 HE2 HIS A 36 -4.842 -5.394 12.013 1.00 41.43 H new ATOM 602 N THR A 37 -6.271 -2.867 6.298 1.00 54.41 N ATOM 603 CA THR A 37 -7.533 -3.265 5.698 1.00 3.04 C ATOM 604 C THR A 37 -7.296 -4.370 4.657 1.00 35.34 C ATOM 605 O THR A 37 -7.972 -5.409 4.656 1.00 23.03 O ATOM 606 CB THR A 37 -8.178 -2.002 5.052 1.00 40.40 C ATOM 607 OG1 THR A 37 -8.819 -1.185 6.047 1.00 24.21 O ATOM 608 CG2 THR A 37 -9.104 -2.286 3.874 1.00 43.45 C ATOM 0 H THR A 37 -6.082 -1.869 6.207 1.00 54.41 H new ATOM 0 HA THR A 37 -8.209 -3.670 6.451 1.00 3.04 H new ATOM 0 HB THR A 37 -7.348 -1.445 4.618 1.00 40.40 H new ATOM 0 HG1 THR A 37 -8.154 -0.604 6.471 1.00 24.21 H new ATOM 0 HG21 THR A 37 -9.504 -1.347 3.491 1.00 43.45 H new ATOM 0 HG22 THR A 37 -8.545 -2.790 3.086 1.00 43.45 H new ATOM 0 HG23 THR A 37 -9.925 -2.924 4.202 1.00 43.45 H new ATOM 616 N TYR A 38 -6.288 -4.158 3.843 1.00 13.22 N ATOM 617 CA TYR A 38 -5.898 -5.058 2.797 1.00 53.32 C ATOM 618 C TYR A 38 -5.468 -6.410 3.387 1.00 4.00 C ATOM 619 O TYR A 38 -5.646 -7.454 2.762 1.00 63.42 O ATOM 620 CB TYR A 38 -4.765 -4.417 1.987 1.00 44.23 C ATOM 621 CG TYR A 38 -4.448 -5.136 0.734 1.00 20.33 C ATOM 622 CD1 TYR A 38 -5.207 -4.895 -0.374 1.00 55.14 C ATOM 623 CD2 TYR A 38 -3.412 -6.054 0.652 1.00 64.30 C ATOM 624 CE1 TYR A 38 -4.965 -5.551 -1.567 1.00 71.25 C ATOM 625 CE2 TYR A 38 -3.151 -6.717 -0.534 1.00 44.31 C ATOM 626 CZ TYR A 38 -3.938 -6.460 -1.641 1.00 34.42 C ATOM 627 OH TYR A 38 -3.705 -7.118 -2.818 1.00 53.21 O ATOM 0 H TYR A 38 -5.701 -3.325 3.897 1.00 13.22 H new ATOM 0 HA TYR A 38 -6.743 -5.246 2.135 1.00 53.32 H new ATOM 0 HB2 TYR A 38 -5.039 -3.390 1.746 1.00 44.23 H new ATOM 0 HB3 TYR A 38 -3.869 -4.372 2.606 1.00 44.23 H new ATOM 0 HD1 TYR A 38 -6.013 -4.178 -0.318 1.00 55.14 H new ATOM 0 HD2 TYR A 38 -2.803 -6.253 1.522 1.00 64.30 H new ATOM 0 HE1 TYR A 38 -5.578 -5.350 -2.433 1.00 71.25 H new ATOM 0 HE2 TYR A 38 -2.340 -7.428 -0.594 1.00 44.31 H new ATOM 0 HH TYR A 38 -2.944 -7.726 -2.708 1.00 53.21 H new ATOM 637 N GLN A 39 -4.909 -6.368 4.591 1.00 71.24 N ATOM 638 CA GLN A 39 -4.508 -7.566 5.308 1.00 32.03 C ATOM 639 C GLN A 39 -5.727 -8.338 5.803 1.00 54.34 C ATOM 640 O GLN A 39 -5.802 -9.543 5.624 1.00 40.45 O ATOM 641 CB GLN A 39 -3.574 -7.236 6.467 1.00 15.44 C ATOM 642 CG GLN A 39 -2.259 -6.614 6.035 1.00 2.41 C ATOM 643 CD GLN A 39 -1.449 -7.504 5.102 1.00 12.14 C ATOM 644 OE1 GLN A 39 -1.529 -8.726 5.158 1.00 34.33 O ATOM 645 NE2 GLN A 39 -0.659 -6.902 4.256 1.00 71.32 N ATOM 0 H GLN A 39 -4.722 -5.501 5.095 1.00 71.24 H new ATOM 0 HA GLN A 39 -3.961 -8.199 4.609 1.00 32.03 H new ATOM 0 HB2 GLN A 39 -4.082 -6.553 7.148 1.00 15.44 H new ATOM 0 HB3 GLN A 39 -3.367 -8.149 7.026 1.00 15.44 H new ATOM 0 HG2 GLN A 39 -2.460 -5.665 5.537 1.00 2.41 H new ATOM 0 HG3 GLN A 39 -1.663 -6.390 6.920 1.00 2.41 H new ATOM 0 HE21 GLN A 39 -0.616 -5.883 4.235 1.00 71.32 H new ATOM 0 HE22 GLN A 39 -0.085 -7.450 3.616 1.00 71.32 H new ATOM 904 N GLU A 55 -8.698 -5.236 -4.928 1.00 42.02 N ATOM 905 CA GLU A 55 -7.405 -4.811 -5.427 1.00 75.23 C ATOM 906 C GLU A 55 -7.440 -3.473 -6.205 1.00 20.24 C ATOM 907 O GLU A 55 -6.589 -2.601 -5.982 1.00 4.22 O ATOM 908 CB GLU A 55 -6.962 -5.925 -6.317 1.00 1.13 C ATOM 909 CG GLU A 55 -5.626 -5.805 -6.922 1.00 42.33 C ATOM 910 CD GLU A 55 -5.423 -6.925 -7.884 1.00 63.12 C ATOM 911 OE1 GLU A 55 -5.981 -6.856 -9.009 1.00 15.31 O ATOM 912 OE2 GLU A 55 -4.780 -7.917 -7.532 1.00 72.11 O ATOM 0 HA GLU A 55 -6.725 -4.618 -4.597 1.00 75.23 H new ATOM 0 HB2 GLU A 55 -6.992 -6.850 -5.742 1.00 1.13 H new ATOM 0 HB3 GLU A 55 -7.690 -6.026 -7.121 1.00 1.13 H new ATOM 0 HG2 GLU A 55 -5.530 -4.848 -7.434 1.00 42.33 H new ATOM 0 HG3 GLU A 55 -4.859 -5.831 -6.148 1.00 42.33 H new ATOM 919 N GLU A 56 -8.427 -3.299 -7.068 1.00 52.42 N ATOM 920 CA GLU A 56 -8.532 -2.088 -7.854 1.00 53.11 C ATOM 921 C GLU A 56 -8.836 -0.875 -6.965 1.00 55.25 C ATOM 922 O GLU A 56 -8.173 0.166 -7.074 1.00 1.34 O ATOM 923 CB GLU A 56 -9.584 -2.252 -8.935 1.00 52.12 C ATOM 924 CG GLU A 56 -9.811 -1.021 -9.774 1.00 54.14 C ATOM 925 CD GLU A 56 -10.843 -1.254 -10.827 1.00 34.41 C ATOM 926 OE1 GLU A 56 -12.031 -1.420 -10.476 1.00 5.52 O ATOM 927 OE2 GLU A 56 -10.481 -1.322 -12.023 1.00 34.33 O ATOM 0 H GLU A 56 -9.165 -3.982 -7.240 1.00 52.42 H new ATOM 0 HA GLU A 56 -7.571 -1.907 -8.335 1.00 53.11 H new ATOM 0 HB2 GLU A 56 -9.291 -3.073 -9.589 1.00 52.12 H new ATOM 0 HB3 GLU A 56 -10.526 -2.537 -8.468 1.00 52.12 H new ATOM 0 HG2 GLU A 56 -10.124 -0.197 -9.133 1.00 54.14 H new ATOM 0 HG3 GLU A 56 -8.874 -0.722 -10.243 1.00 54.14 H new ATOM 934 N GLU A 57 -9.803 -1.015 -6.067 1.00 43.35 N ATOM 935 CA GLU A 57 -10.160 0.071 -5.175 1.00 71.23 C ATOM 936 C GLU A 57 -9.029 0.282 -4.158 1.00 60.14 C ATOM 937 O GLU A 57 -8.812 1.398 -3.681 1.00 44.25 O ATOM 938 CB GLU A 57 -11.497 -0.193 -4.482 1.00 30.01 C ATOM 939 CG GLU A 57 -11.369 -1.031 -3.272 1.00 31.23 C ATOM 940 CD GLU A 57 -12.672 -1.421 -2.665 1.00 72.12 C ATOM 941 OE1 GLU A 57 -13.220 -0.657 -1.861 1.00 32.20 O ATOM 942 OE2 GLU A 57 -13.165 -2.521 -2.968 1.00 43.41 O ATOM 0 H GLU A 57 -10.349 -1.867 -5.940 1.00 43.35 H new ATOM 0 HA GLU A 57 -10.286 0.984 -5.757 1.00 71.23 H new ATOM 0 HB2 GLU A 57 -11.952 0.759 -4.210 1.00 30.01 H new ATOM 0 HB3 GLU A 57 -12.173 -0.681 -5.184 1.00 30.01 H new ATOM 0 HG2 GLU A 57 -10.813 -1.934 -3.525 1.00 31.23 H new ATOM 0 HG3 GLU A 57 -10.781 -0.492 -2.530 1.00 31.23 H new ATOM 949 N VAL A 58 -8.280 -0.805 -3.878 1.00 32.53 N ATOM 950 CA VAL A 58 -7.142 -0.767 -3.019 1.00 3.53 C ATOM 951 C VAL A 58 -6.119 0.195 -3.590 1.00 1.11 C ATOM 952 O VAL A 58 -5.725 1.155 -2.932 1.00 65.13 O ATOM 953 CB VAL A 58 -6.509 -2.183 -2.864 1.00 61.12 C ATOM 954 CG1 VAL A 58 -5.151 -2.102 -2.247 1.00 22.34 C ATOM 955 CG2 VAL A 58 -7.399 -3.090 -2.031 1.00 43.43 C ATOM 0 H VAL A 58 -8.474 -1.730 -4.260 1.00 32.53 H new ATOM 0 HA VAL A 58 -7.460 -0.430 -2.032 1.00 3.53 H new ATOM 0 HB VAL A 58 -6.413 -2.607 -3.864 1.00 61.12 H new ATOM 0 HG11 VAL A 58 -4.734 -3.105 -2.151 1.00 22.34 H new ATOM 0 HG12 VAL A 58 -4.500 -1.497 -2.878 1.00 22.34 H new ATOM 0 HG13 VAL A 58 -5.226 -1.645 -1.260 1.00 22.34 H new ATOM 0 HG21 VAL A 58 -6.934 -4.071 -1.939 1.00 43.43 H new ATOM 0 HG22 VAL A 58 -7.533 -2.657 -1.040 1.00 43.43 H new ATOM 0 HG23 VAL A 58 -8.370 -3.193 -2.516 1.00 43.43 H new ATOM 965 N PHE A 59 -5.750 -0.035 -4.846 1.00 73.04 N ATOM 966 CA PHE A 59 -4.787 0.803 -5.527 1.00 32.20 C ATOM 967 C PHE A 59 -5.303 2.231 -5.624 1.00 33.23 C ATOM 968 O PHE A 59 -4.546 3.178 -5.465 1.00 2.32 O ATOM 969 CB PHE A 59 -4.459 0.239 -6.920 1.00 51.42 C ATOM 970 CG PHE A 59 -3.444 1.055 -7.677 1.00 25.44 C ATOM 971 CD1 PHE A 59 -2.104 0.970 -7.364 1.00 72.25 C ATOM 972 CD2 PHE A 59 -3.836 1.921 -8.685 1.00 63.21 C ATOM 973 CE1 PHE A 59 -1.168 1.728 -8.038 1.00 50.42 C ATOM 974 CE2 PHE A 59 -2.904 2.685 -9.361 1.00 41.51 C ATOM 975 CZ PHE A 59 -1.570 2.587 -9.037 1.00 32.33 C ATOM 0 H PHE A 59 -6.111 -0.803 -5.411 1.00 73.04 H new ATOM 0 HA PHE A 59 -3.865 0.811 -4.946 1.00 32.20 H new ATOM 0 HB2 PHE A 59 -4.086 -0.780 -6.812 1.00 51.42 H new ATOM 0 HB3 PHE A 59 -5.377 0.182 -7.505 1.00 51.42 H new ATOM 0 HD1 PHE A 59 -1.782 0.301 -6.580 1.00 72.25 H new ATOM 0 HD2 PHE A 59 -4.881 2.000 -8.945 1.00 63.21 H new ATOM 0 HE1 PHE A 59 -0.122 1.648 -7.782 1.00 50.42 H new ATOM 0 HE2 PHE A 59 -3.222 3.359 -10.143 1.00 41.51 H new ATOM 0 HZ PHE A 59 -0.840 3.182 -9.565 1.00 32.33 H new ATOM 985 N THR A 60 -6.600 2.366 -5.824 1.00 72.40 N ATOM 986 CA THR A 60 -7.247 3.601 -5.953 1.00 60.23 C ATOM 987 C THR A 60 -7.080 4.490 -4.706 1.00 4.45 C ATOM 988 O THR A 60 -6.654 5.629 -4.829 1.00 1.32 O ATOM 989 CB THR A 60 -8.711 3.334 -6.250 1.00 15.42 C ATOM 990 OG1 THR A 60 -8.837 2.722 -7.549 1.00 13.10 O ATOM 991 CG2 THR A 60 -9.496 4.579 -6.190 1.00 1.53 C ATOM 0 H THR A 60 -7.232 1.569 -5.900 1.00 72.40 H new ATOM 0 HA THR A 60 -6.790 4.158 -6.771 1.00 60.23 H new ATOM 0 HB THR A 60 -9.103 2.655 -5.493 1.00 15.42 H new ATOM 0 HG1 THR A 60 -8.736 1.751 -7.464 1.00 13.10 H new ATOM 0 HG21 THR A 60 -10.542 4.361 -6.407 1.00 1.53 H new ATOM 0 HG22 THR A 60 -9.415 5.013 -5.193 1.00 1.53 H new ATOM 0 HG23 THR A 60 -9.113 5.286 -6.926 1.00 1.53 H new ATOM 999 N GLU A 61 -7.348 3.960 -3.514 1.00 22.32 N ATOM 1000 CA GLU A 61 -7.264 4.770 -2.317 1.00 72.14 C ATOM 1001 C GLU A 61 -5.832 5.164 -2.026 1.00 44.44 C ATOM 1002 O GLU A 61 -5.566 6.248 -1.522 1.00 44.50 O ATOM 1003 CB GLU A 61 -7.885 4.047 -1.148 1.00 12.03 C ATOM 1004 CG GLU A 61 -9.382 4.000 -1.243 1.00 24.23 C ATOM 1005 CD GLU A 61 -10.006 5.360 -1.039 1.00 24.12 C ATOM 1006 OE1 GLU A 61 -10.176 6.119 -2.017 1.00 11.21 O ATOM 1007 OE2 GLU A 61 -10.342 5.691 0.118 1.00 63.24 O ATOM 0 H GLU A 61 -7.620 2.989 -3.360 1.00 22.32 H new ATOM 0 HA GLU A 61 -7.826 5.689 -2.483 1.00 72.14 H new ATOM 0 HB2 GLU A 61 -7.493 3.031 -1.101 1.00 12.03 H new ATOM 0 HB3 GLU A 61 -7.597 4.543 -0.221 1.00 12.03 H new ATOM 0 HG2 GLU A 61 -9.671 3.612 -2.220 1.00 24.23 H new ATOM 0 HG3 GLU A 61 -9.771 3.307 -0.497 1.00 24.23 H new ATOM 1014 N VAL A 62 -4.915 4.294 -2.393 1.00 22.40 N ATOM 1015 CA VAL A 62 -3.500 4.545 -2.221 1.00 25.25 C ATOM 1016 C VAL A 62 -3.013 5.597 -3.242 1.00 31.34 C ATOM 1017 O VAL A 62 -2.236 6.496 -2.907 1.00 40.35 O ATOM 1018 CB VAL A 62 -2.697 3.235 -2.367 1.00 55.31 C ATOM 1019 CG1 VAL A 62 -1.237 3.460 -2.087 1.00 13.35 C ATOM 1020 CG2 VAL A 62 -3.243 2.184 -1.424 1.00 70.25 C ATOM 0 H VAL A 62 -5.130 3.393 -2.819 1.00 22.40 H new ATOM 0 HA VAL A 62 -3.337 4.937 -1.217 1.00 25.25 H new ATOM 0 HB VAL A 62 -2.800 2.889 -3.395 1.00 55.31 H new ATOM 0 HG11 VAL A 62 -0.696 2.520 -2.197 1.00 13.35 H new ATOM 0 HG12 VAL A 62 -0.840 4.192 -2.791 1.00 13.35 H new ATOM 0 HG13 VAL A 62 -1.115 3.832 -1.070 1.00 13.35 H new ATOM 0 HG21 VAL A 62 -2.670 1.263 -1.534 1.00 70.25 H new ATOM 0 HG22 VAL A 62 -3.163 2.540 -0.397 1.00 70.25 H new ATOM 0 HG23 VAL A 62 -4.289 1.991 -1.661 1.00 70.25 H new ATOM 1030 N ALA A 63 -3.507 5.500 -4.468 1.00 74.32 N ATOM 1031 CA ALA A 63 -3.188 6.473 -5.519 1.00 41.35 C ATOM 1032 C ALA A 63 -3.798 7.822 -5.177 1.00 35.13 C ATOM 1033 O ALA A 63 -3.259 8.866 -5.501 1.00 32.43 O ATOM 1034 CB ALA A 63 -3.686 5.989 -6.877 1.00 11.12 C ATOM 0 H ALA A 63 -4.135 4.754 -4.767 1.00 74.32 H new ATOM 0 HA ALA A 63 -2.105 6.579 -5.577 1.00 41.35 H new ATOM 0 HB1 ALA A 63 -3.438 6.727 -7.640 1.00 11.12 H new ATOM 0 HB2 ALA A 63 -3.210 5.040 -7.122 1.00 11.12 H new ATOM 0 HB3 ALA A 63 -4.767 5.854 -6.841 1.00 11.12 H new ATOM 1040 N ASN A 64 -4.933 7.771 -4.542 1.00 60.42 N ATOM 1041 CA ASN A 64 -5.633 8.938 -4.038 1.00 22.14 C ATOM 1042 C ASN A 64 -4.910 9.545 -2.850 1.00 71.44 C ATOM 1043 O ASN A 64 -4.946 10.762 -2.636 1.00 34.41 O ATOM 1044 CB ASN A 64 -7.059 8.532 -3.690 1.00 43.01 C ATOM 1045 CG ASN A 64 -7.729 9.335 -2.596 1.00 61.41 C ATOM 1046 OD1 ASN A 64 -8.318 10.403 -2.832 1.00 33.15 O ATOM 1047 ND2 ASN A 64 -7.699 8.796 -1.408 1.00 64.42 N ATOM 0 H ASN A 64 -5.419 6.895 -4.350 1.00 60.42 H new ATOM 0 HA ASN A 64 -5.659 9.712 -4.805 1.00 22.14 H new ATOM 0 HB2 ASN A 64 -7.667 8.606 -4.592 1.00 43.01 H new ATOM 0 HB3 ASN A 64 -7.055 7.483 -3.393 1.00 43.01 H new ATOM 0 HD21 ASN A 64 -8.172 9.253 -0.628 1.00 64.42 H new ATOM 0 HD22 ASN A 64 -7.203 7.917 -1.259 1.00 64.42 H new ATOM 1054 N LEU A 65 -4.236 8.701 -2.099 1.00 55.24 N ATOM 1055 CA LEU A 65 -3.501 9.117 -0.939 1.00 11.22 C ATOM 1056 C LEU A 65 -2.274 9.915 -1.394 1.00 31.35 C ATOM 1057 O LEU A 65 -2.115 11.096 -1.078 1.00 42.20 O ATOM 1058 CB LEU A 65 -2.986 7.889 -0.190 1.00 34.11 C ATOM 1059 CG LEU A 65 -2.816 8.002 1.321 1.00 43.50 C ATOM 1060 CD1 LEU A 65 -2.968 9.399 1.804 1.00 70.32 C ATOM 1061 CD2 LEU A 65 -3.809 7.175 1.998 1.00 72.32 C ATOM 0 H LEU A 65 -4.187 7.699 -2.284 1.00 55.24 H new ATOM 0 HA LEU A 65 -4.152 9.713 -0.299 1.00 11.22 H new ATOM 0 HB2 LEU A 65 -3.669 7.063 -0.390 1.00 34.11 H new ATOM 0 HB3 LEU A 65 -2.021 7.616 -0.617 1.00 34.11 H new ATOM 0 HG LEU A 65 -1.805 7.664 1.549 1.00 43.50 H new ATOM 0 HD11 LEU A 65 -2.838 9.426 2.886 1.00 70.32 H new ATOM 0 HD12 LEU A 65 -2.216 10.031 1.332 1.00 70.32 H new ATOM 0 HD13 LEU A 65 -3.962 9.766 1.549 1.00 70.32 H new ATOM 0 HD21 LEU A 65 -3.680 7.262 3.077 1.00 72.32 H new ATOM 0 HD22 LEU A 65 -4.809 7.510 1.724 1.00 72.32 H new ATOM 0 HD23 LEU A 65 -3.680 6.135 1.700 1.00 72.32 H new ATOM 1073 N PHE A 66 -1.454 9.261 -2.197 1.00 21.14 N ATOM 1074 CA PHE A 66 -0.177 9.799 -2.644 1.00 32.13 C ATOM 1075 C PHE A 66 -0.320 10.381 -4.027 1.00 1.00 C ATOM 1076 O PHE A 66 0.591 10.280 -4.855 1.00 52.52 O ATOM 1077 CB PHE A 66 0.850 8.668 -2.683 1.00 21.34 C ATOM 1078 CG PHE A 66 0.958 7.917 -1.388 1.00 73.02 C ATOM 1079 CD1 PHE A 66 1.176 8.586 -0.196 1.00 22.25 C ATOM 1080 CD2 PHE A 66 0.835 6.542 -1.365 1.00 12.42 C ATOM 1081 CE1 PHE A 66 1.263 7.899 0.990 1.00 52.11 C ATOM 1082 CE2 PHE A 66 0.927 5.849 -0.180 1.00 11.13 C ATOM 1083 CZ PHE A 66 1.141 6.530 0.998 1.00 11.24 C ATOM 0 H PHE A 66 -1.656 8.330 -2.563 1.00 21.14 H new ATOM 0 HA PHE A 66 0.147 10.581 -1.957 1.00 32.13 H new ATOM 0 HB2 PHE A 66 0.582 7.971 -3.477 1.00 21.34 H new ATOM 0 HB3 PHE A 66 1.826 9.082 -2.937 1.00 21.34 H new ATOM 0 HD1 PHE A 66 1.279 9.661 -0.199 1.00 22.25 H new ATOM 0 HD2 PHE A 66 0.665 6.005 -2.286 1.00 12.42 H new ATOM 0 HE1 PHE A 66 1.427 8.433 1.914 1.00 52.11 H new ATOM 0 HE2 PHE A 66 0.832 4.773 -0.173 1.00 11.13 H new ATOM 0 HZ PHE A 66 1.213 5.988 1.929 1.00 11.24 H new ATOM 1093 N ARG A 67 -1.429 11.035 -4.250 1.00 71.25 N ATOM 1094 CA ARG A 67 -1.737 11.616 -5.516 1.00 54.33 C ATOM 1095 C ARG A 67 -0.694 12.663 -5.909 1.00 12.24 C ATOM 1096 O ARG A 67 -0.369 13.588 -5.135 1.00 62.30 O ATOM 1097 CB ARG A 67 -3.152 12.187 -5.504 1.00 31.12 C ATOM 1098 CG ARG A 67 -3.409 13.249 -4.449 1.00 54.04 C ATOM 1099 CD ARG A 67 -4.865 13.650 -4.436 1.00 12.31 C ATOM 1100 NE ARG A 67 -5.142 14.686 -3.442 1.00 31.32 N ATOM 1101 CZ ARG A 67 -6.262 14.775 -2.727 1.00 51.23 C ATOM 1102 NH1 ARG A 67 -7.207 13.848 -2.846 1.00 14.21 N ATOM 1103 NH2 ARG A 67 -6.433 15.791 -1.899 1.00 54.23 N ATOM 0 H ARG A 67 -2.150 11.177 -3.543 1.00 71.25 H new ATOM 0 HA ARG A 67 -1.702 10.838 -6.278 1.00 54.33 H new ATOM 0 HB2 ARG A 67 -3.364 12.613 -6.485 1.00 31.12 H new ATOM 0 HB3 ARG A 67 -3.856 11.369 -5.353 1.00 31.12 H new ATOM 0 HG2 ARG A 67 -3.123 12.870 -3.468 1.00 54.04 H new ATOM 0 HG3 ARG A 67 -2.788 14.123 -4.647 1.00 54.04 H new ATOM 0 HD2 ARG A 67 -5.150 14.011 -5.424 1.00 12.31 H new ATOM 0 HD3 ARG A 67 -5.480 12.774 -4.227 1.00 12.31 H new ATOM 0 HE ARG A 67 -4.424 15.393 -3.285 1.00 31.32 H new ATOM 0 HH11 ARG A 67 -7.076 13.065 -3.487 1.00 14.21 H new ATOM 0 HH12 ARG A 67 -8.064 13.919 -2.297 1.00 14.21 H new ATOM 0 HH21 ARG A 67 -5.709 16.503 -1.809 1.00 54.23 H new ATOM 0 HH22 ARG A 67 -7.289 15.863 -1.350 1.00 54.23 H new ATOM 1117 N GLY A 68 -0.142 12.482 -7.072 1.00 30.51 N ATOM 1118 CA GLY A 68 0.891 13.351 -7.549 1.00 23.30 C ATOM 1119 C GLY A 68 2.228 12.662 -7.512 1.00 15.02 C ATOM 1120 O GLY A 68 3.061 12.855 -8.394 1.00 61.01 O ATOM 0 H GLY A 68 -0.394 11.731 -7.714 1.00 30.51 H new ATOM 0 HA2 GLY A 68 0.667 13.665 -8.568 1.00 23.30 H new ATOM 0 HA3 GLY A 68 0.925 14.253 -6.938 1.00 23.30 H new ATOM 1124 N GLN A 69 2.438 11.855 -6.493 1.00 40.30 N ATOM 1125 CA GLN A 69 3.651 11.097 -6.350 1.00 31.24 C ATOM 1126 C GLN A 69 3.489 9.767 -7.062 1.00 45.22 C ATOM 1127 O GLN A 69 3.435 8.695 -6.440 1.00 14.20 O ATOM 1128 CB GLN A 69 3.940 10.875 -4.877 1.00 43.45 C ATOM 1129 CG GLN A 69 3.967 12.156 -4.076 1.00 40.40 C ATOM 1130 CD GLN A 69 5.049 13.115 -4.523 1.00 24.30 C ATOM 1131 OE1 GLN A 69 6.112 12.707 -5.006 1.00 51.22 O ATOM 1132 NE2 GLN A 69 4.796 14.382 -4.376 1.00 72.12 N ATOM 0 H GLN A 69 1.765 11.710 -5.740 1.00 40.30 H new ATOM 0 HA GLN A 69 4.486 11.641 -6.791 1.00 31.24 H new ATOM 0 HB2 GLN A 69 3.183 10.210 -4.461 1.00 43.45 H new ATOM 0 HB3 GLN A 69 4.900 10.369 -4.774 1.00 43.45 H new ATOM 0 HG2 GLN A 69 2.998 12.648 -4.157 1.00 40.40 H new ATOM 0 HG3 GLN A 69 4.115 11.916 -3.023 1.00 40.40 H new ATOM 0 HE21 GLN A 69 3.908 14.681 -3.974 1.00 72.12 H new ATOM 0 HE22 GLN A 69 5.486 15.076 -4.663 1.00 72.12 H new ATOM 1141 N GLU A 70 3.429 9.841 -8.371 1.00 1.34 N ATOM 1142 CA GLU A 70 3.172 8.694 -9.211 1.00 20.24 C ATOM 1143 C GLU A 70 4.340 7.733 -9.218 1.00 31.45 C ATOM 1144 O GLU A 70 4.183 6.567 -9.557 1.00 45.00 O ATOM 1145 CB GLU A 70 2.782 9.135 -10.608 1.00 4.42 C ATOM 1146 CG GLU A 70 1.549 10.021 -10.609 1.00 64.01 C ATOM 1147 CD GLU A 70 1.151 10.461 -11.976 1.00 25.32 C ATOM 1148 OE1 GLU A 70 1.736 11.431 -12.487 1.00 70.24 O ATOM 1149 OE2 GLU A 70 0.231 9.859 -12.563 1.00 43.22 O ATOM 0 H GLU A 70 3.559 10.710 -8.889 1.00 1.34 H new ATOM 0 HA GLU A 70 2.328 8.147 -8.791 1.00 20.24 H new ATOM 0 HB2 GLU A 70 3.614 9.673 -11.062 1.00 4.42 H new ATOM 0 HB3 GLU A 70 2.596 8.256 -11.225 1.00 4.42 H new ATOM 0 HG2 GLU A 70 0.720 9.482 -10.151 1.00 64.01 H new ATOM 0 HG3 GLU A 70 1.738 10.899 -9.991 1.00 64.01 H new ATOM 1156 N ASP A 71 5.498 8.227 -8.780 1.00 54.35 N ATOM 1157 CA ASP A 71 6.711 7.415 -8.618 1.00 31.22 C ATOM 1158 C ASP A 71 6.422 6.218 -7.744 1.00 21.13 C ATOM 1159 O ASP A 71 6.789 5.082 -8.057 1.00 61.03 O ATOM 1160 CB ASP A 71 7.814 8.212 -7.938 1.00 13.51 C ATOM 1161 CG ASP A 71 8.326 9.389 -8.723 1.00 22.23 C ATOM 1162 OD1 ASP A 71 9.231 9.200 -9.569 1.00 41.11 O ATOM 1163 OD2 ASP A 71 7.855 10.527 -8.487 1.00 31.25 O ATOM 0 H ASP A 71 5.625 9.207 -8.525 1.00 54.35 H new ATOM 0 HA ASP A 71 7.029 7.106 -9.614 1.00 31.22 H new ATOM 0 HB2 ASP A 71 7.444 8.569 -6.977 1.00 13.51 H new ATOM 0 HB3 ASP A 71 8.649 7.543 -7.729 1.00 13.51 H new ATOM 1168 N LEU A 72 5.719 6.489 -6.664 1.00 24.02 N ATOM 1169 CA LEU A 72 5.366 5.498 -5.670 1.00 45.41 C ATOM 1170 C LEU A 72 4.302 4.574 -6.224 1.00 75.04 C ATOM 1171 O LEU A 72 4.321 3.361 -6.012 1.00 62.51 O ATOM 1172 CB LEU A 72 4.788 6.211 -4.447 1.00 31.32 C ATOM 1173 CG LEU A 72 5.645 7.311 -3.813 1.00 32.21 C ATOM 1174 CD1 LEU A 72 4.853 8.019 -2.744 1.00 22.34 C ATOM 1175 CD2 LEU A 72 6.933 6.747 -3.234 1.00 73.50 C ATOM 0 H LEU A 72 5.370 7.423 -6.449 1.00 24.02 H new ATOM 0 HA LEU A 72 6.253 4.925 -5.402 1.00 45.41 H new ATOM 0 HB2 LEU A 72 3.831 6.649 -4.731 1.00 31.32 H new ATOM 0 HB3 LEU A 72 4.581 5.461 -3.684 1.00 31.32 H new ATOM 0 HG LEU A 72 5.919 8.024 -4.591 1.00 32.21 H new ATOM 0 HD11 LEU A 72 5.466 8.801 -2.295 1.00 22.34 H new ATOM 0 HD12 LEU A 72 3.962 8.465 -3.186 1.00 22.34 H new ATOM 0 HD13 LEU A 72 4.558 7.304 -1.976 1.00 22.34 H new ATOM 0 HD21 LEU A 72 7.517 7.554 -2.792 1.00 73.50 H new ATOM 0 HD22 LEU A 72 6.695 6.010 -2.467 1.00 73.50 H new ATOM 0 HD23 LEU A 72 7.511 6.273 -4.027 1.00 73.50 H new ATOM 1187 N LEU A 73 3.440 5.160 -7.001 1.00 63.32 N ATOM 1188 CA LEU A 73 2.242 4.502 -7.484 1.00 0.42 C ATOM 1189 C LEU A 73 2.588 3.470 -8.551 1.00 21.21 C ATOM 1190 O LEU A 73 2.025 2.371 -8.562 1.00 0.42 O ATOM 1191 CB LEU A 73 1.235 5.548 -8.005 1.00 23.45 C ATOM 1192 CG LEU A 73 0.900 6.713 -7.032 1.00 53.04 C ATOM 1193 CD1 LEU A 73 -0.116 7.668 -7.618 1.00 32.34 C ATOM 1194 CD2 LEU A 73 0.420 6.213 -5.682 1.00 50.04 C ATOM 0 H LEU A 73 3.542 6.121 -7.327 1.00 63.32 H new ATOM 0 HA LEU A 73 1.772 3.969 -6.658 1.00 0.42 H new ATOM 0 HB2 LEU A 73 1.628 5.973 -8.928 1.00 23.45 H new ATOM 0 HB3 LEU A 73 0.307 5.035 -8.260 1.00 23.45 H new ATOM 0 HG LEU A 73 1.834 7.254 -6.882 1.00 53.04 H new ATOM 0 HD11 LEU A 73 -0.320 8.466 -6.904 1.00 32.34 H new ATOM 0 HD12 LEU A 73 0.277 8.098 -8.539 1.00 32.34 H new ATOM 0 HD13 LEU A 73 -1.039 7.130 -7.834 1.00 32.34 H new ATOM 0 HD21 LEU A 73 0.198 7.063 -5.037 1.00 50.04 H new ATOM 0 HD22 LEU A 73 -0.481 5.614 -5.815 1.00 50.04 H new ATOM 0 HD23 LEU A 73 1.197 5.602 -5.223 1.00 50.04 H new ATOM 1206 N SER A 74 3.551 3.815 -9.407 1.00 44.21 N ATOM 1207 CA SER A 74 4.031 2.922 -10.453 1.00 64.33 C ATOM 1208 C SER A 74 4.532 1.593 -9.853 1.00 44.03 C ATOM 1209 O SER A 74 4.212 0.500 -10.355 1.00 12.34 O ATOM 1210 CB SER A 74 5.161 3.606 -11.227 1.00 3.32 C ATOM 1211 OG SER A 74 4.730 4.840 -11.796 1.00 53.31 O ATOM 0 H SER A 74 4.018 4.722 -9.392 1.00 44.21 H new ATOM 0 HA SER A 74 3.206 2.699 -11.130 1.00 64.33 H new ATOM 0 HB2 SER A 74 6.004 3.786 -10.560 1.00 3.32 H new ATOM 0 HB3 SER A 74 5.516 2.944 -12.017 1.00 3.32 H new ATOM 0 HG SER A 74 4.586 5.496 -11.083 1.00 53.31 H new ATOM 1217 N GLU A 75 5.279 1.691 -8.762 1.00 74.12 N ATOM 1218 CA GLU A 75 5.808 0.519 -8.104 1.00 11.12 C ATOM 1219 C GLU A 75 4.757 -0.221 -7.322 1.00 44.52 C ATOM 1220 O GLU A 75 4.712 -1.443 -7.368 1.00 12.43 O ATOM 1221 CB GLU A 75 7.001 0.850 -7.227 1.00 74.24 C ATOM 1222 CG GLU A 75 8.258 1.113 -8.014 1.00 4.15 C ATOM 1223 CD GLU A 75 8.648 -0.081 -8.845 1.00 3.21 C ATOM 1224 OE1 GLU A 75 9.043 -1.115 -8.269 1.00 13.54 O ATOM 1225 OE2 GLU A 75 8.565 -0.008 -10.090 1.00 41.55 O ATOM 0 H GLU A 75 5.529 2.575 -8.318 1.00 74.12 H new ATOM 0 HA GLU A 75 6.152 -0.145 -8.897 1.00 11.12 H new ATOM 0 HB2 GLU A 75 6.768 1.727 -6.622 1.00 74.24 H new ATOM 0 HB3 GLU A 75 7.177 0.025 -6.537 1.00 74.24 H new ATOM 0 HG2 GLU A 75 8.109 1.976 -8.663 1.00 4.15 H new ATOM 0 HG3 GLU A 75 9.070 1.364 -7.332 1.00 4.15 H new ATOM 1232 N PHE A 76 3.898 0.513 -6.629 1.00 42.43 N ATOM 1233 CA PHE A 76 2.844 -0.091 -5.818 1.00 70.03 C ATOM 1234 C PHE A 76 1.935 -0.951 -6.675 1.00 74.34 C ATOM 1235 O PHE A 76 1.682 -2.095 -6.335 1.00 23.44 O ATOM 1236 CB PHE A 76 2.058 0.986 -5.049 1.00 11.32 C ATOM 1237 CG PHE A 76 1.075 0.430 -4.052 1.00 64.11 C ATOM 1238 CD1 PHE A 76 1.521 -0.232 -2.916 1.00 24.14 C ATOM 1239 CD2 PHE A 76 -0.285 0.553 -4.255 1.00 53.13 C ATOM 1240 CE1 PHE A 76 0.627 -0.754 -2.002 1.00 25.43 C ATOM 1241 CE2 PHE A 76 -1.184 0.030 -3.346 1.00 31.10 C ATOM 1242 CZ PHE A 76 -0.727 -0.625 -2.218 1.00 51.12 C ATOM 0 H PHE A 76 3.909 1.533 -6.611 1.00 42.43 H new ATOM 0 HA PHE A 76 3.307 -0.743 -5.077 1.00 70.03 H new ATOM 0 HB2 PHE A 76 2.763 1.633 -4.527 1.00 11.32 H new ATOM 0 HB3 PHE A 76 1.522 1.610 -5.764 1.00 11.32 H new ATOM 0 HD1 PHE A 76 2.582 -0.340 -2.745 1.00 24.14 H new ATOM 0 HD2 PHE A 76 -0.650 1.064 -5.134 1.00 53.13 H new ATOM 0 HE1 PHE A 76 0.989 -1.262 -1.120 1.00 25.43 H new ATOM 0 HE2 PHE A 76 -2.245 0.133 -3.517 1.00 31.10 H new ATOM 0 HZ PHE A 76 -1.430 -1.035 -1.508 1.00 51.12 H new