USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 255 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: B 21 ASN : amide:sc= -0.0228 X(o=-0.0031,f=-0.0032) USER MOD Set 1.2: B 24 THR OG1 : rot 134:sc= 0.0197 USER MOD Single : B 8 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.11) USER MOD Single : B 10 MET CE :methyl 142:sc= -0.232 (180deg=-3.06!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 81:sc= 0.43 USER MOD Single : B 22 HIS : no HE2:sc= 0.514 K(o=0.51,f=-3.9!) USER MOD Single : B 25 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : B 27 SER OG : rot 39:sc= 0.133 USER MOD Single : B 28 GLN : amide:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N LEU B 2 -34.568 10.199 38.649 1.00 0.00 N ATOM 187 CA LEU B 2 -35.894 10.795 39.033 1.00 0.00 C ATOM 188 C LEU B 2 -35.940 11.517 40.452 1.00 0.00 C ATOM 189 O LEU B 2 -34.951 11.436 41.194 1.00 0.00 O ATOM 190 CB LEU B 2 -36.905 9.600 38.969 1.00 0.00 C ATOM 191 CG LEU B 2 -36.664 8.515 40.048 1.00 0.00 C ATOM 192 CD1 LEU B 2 -37.673 8.628 41.173 1.00 0.00 C ATOM 193 CD2 LEU B 2 -36.669 7.095 39.464 1.00 0.00 C ATOM 0 HA LEU B 2 -36.133 11.608 38.348 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -37.918 9.988 39.078 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -36.844 9.138 37.984 1.00 0.00 H new ATOM 0 HG LEU B 2 -35.668 8.696 40.452 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -37.479 7.854 41.915 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -37.588 9.609 41.641 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -38.679 8.503 40.773 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -36.496 6.373 40.262 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -37.634 6.897 38.998 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -35.880 7.006 38.717 1.00 0.00 H new ATOM 205 N PRO B 3 -37.043 12.177 40.907 1.00 0.00 N ATOM 206 CA PRO B 3 -37.032 12.973 42.166 1.00 0.00 C ATOM 207 C PRO B 3 -36.698 12.375 43.591 1.00 0.00 C ATOM 208 O PRO B 3 -36.739 11.152 43.777 1.00 0.00 O ATOM 209 CB PRO B 3 -38.379 13.720 42.044 1.00 0.00 C ATOM 210 CG PRO B 3 -38.615 13.867 40.553 1.00 0.00 C ATOM 211 CD PRO B 3 -38.227 12.477 40.073 1.00 0.00 C ATOM 0 HA PRO B 3 -36.115 13.562 42.197 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -39.185 13.159 42.517 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -38.336 14.693 42.534 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -39.651 14.112 40.319 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -37.995 14.647 40.110 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -39.028 11.754 40.228 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -37.989 12.465 39.009 1.00 0.00 H new ATOM 219 N PRO B 4 -36.324 13.191 44.629 1.00 0.00 N ATOM 220 CA PRO B 4 -36.042 12.683 46.000 1.00 0.00 C ATOM 221 C PRO B 4 -37.326 12.291 46.806 1.00 0.00 C ATOM 222 O PRO B 4 -38.435 12.763 46.542 1.00 0.00 O ATOM 223 CB PRO B 4 -35.238 13.854 46.599 1.00 0.00 C ATOM 224 CG PRO B 4 -35.810 15.109 45.940 1.00 0.00 C ATOM 225 CD PRO B 4 -36.217 14.663 44.535 1.00 0.00 C ATOM 0 HA PRO B 4 -35.500 11.738 46.019 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -35.347 13.893 47.683 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -34.173 13.749 46.389 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -36.665 15.493 46.496 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -35.070 15.908 45.902 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -37.164 15.111 44.235 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -35.475 14.960 43.794 1.00 0.00 H new ATOM 233 N GLY B 5 -37.173 11.345 47.740 1.00 0.00 N ATOM 234 CA GLY B 5 -38.339 10.571 48.262 1.00 0.00 C ATOM 235 C GLY B 5 -38.758 9.286 47.498 1.00 0.00 C ATOM 236 O GLY B 5 -39.488 8.482 48.076 1.00 0.00 O ATOM 0 H GLY B 5 -36.276 11.089 48.153 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -38.120 10.291 49.293 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -39.199 11.240 48.289 1.00 0.00 H new ATOM 240 N TRP B 6 -38.334 9.073 46.242 1.00 0.00 N ATOM 241 CA TRP B 6 -38.754 7.945 45.403 1.00 0.00 C ATOM 242 C TRP B 6 -37.658 6.850 45.183 1.00 0.00 C ATOM 243 O TRP B 6 -36.466 7.117 45.374 1.00 0.00 O ATOM 244 CB TRP B 6 -38.937 8.709 44.073 1.00 0.00 C ATOM 245 CG TRP B 6 -40.160 9.575 43.823 1.00 0.00 C ATOM 246 CD1 TRP B 6 -40.211 10.975 43.756 1.00 0.00 C ATOM 247 CD2 TRP B 6 -41.426 9.130 43.574 1.00 0.00 C ATOM 248 NE1 TRP B 6 -41.522 11.435 43.553 1.00 0.00 N ATOM 249 CE2 TRP B 6 -42.274 10.261 43.500 1.00 0.00 C ATOM 250 CE3 TRP B 6 -41.903 7.832 43.259 1.00 0.00 C ATOM 251 CZ2 TRP B 6 -43.657 10.084 43.274 1.00 0.00 C ATOM 252 CZ3 TRP B 6 -43.279 7.685 43.056 1.00 0.00 C ATOM 253 CH2 TRP B 6 -44.148 8.786 43.092 1.00 0.00 C ATOM 0 H TRP B 6 -37.675 9.695 45.774 1.00 0.00 H new ATOM 0 HA TRP B 6 -39.598 7.397 45.821 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -38.064 9.350 43.952 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -38.903 7.969 43.274 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -39.349 11.619 43.849 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -41.847 12.398 43.465 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -41.231 6.991 43.179 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -44.323 10.934 43.242 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -43.682 6.701 42.867 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -45.211 8.630 42.978 1.00 0.00 H new ATOM 264 N GLU B 7 -38.041 5.694 44.600 1.00 0.00 N ATOM 265 CA GLU B 7 -37.271 5.055 43.498 1.00 0.00 C ATOM 266 C GLU B 7 -38.100 3.929 42.786 1.00 0.00 C ATOM 267 O GLU B 7 -38.977 3.272 43.355 1.00 0.00 O ATOM 268 CB GLU B 7 -35.895 4.496 43.986 1.00 0.00 C ATOM 269 CG GLU B 7 -34.836 4.035 42.937 1.00 0.00 C ATOM 270 CD GLU B 7 -34.461 4.968 41.796 1.00 0.00 C ATOM 271 OE1 GLU B 7 -34.581 6.200 41.921 1.00 0.00 O ATOM 272 OE2 GLU B 7 -34.034 4.453 40.748 1.00 0.00 O ATOM 0 H GLU B 7 -38.879 5.180 44.871 1.00 0.00 H new ATOM 0 HA GLU B 7 -37.070 5.841 42.770 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -35.430 5.265 44.602 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -36.100 3.647 44.637 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -33.921 3.797 43.479 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -35.196 3.106 42.495 1.00 0.00 H new ATOM 279 N LYS B 8 -37.726 3.655 41.532 1.00 0.00 N ATOM 280 CA LYS B 8 -38.104 2.405 40.808 1.00 0.00 C ATOM 281 C LYS B 8 -37.686 1.050 41.507 1.00 0.00 C ATOM 282 O LYS B 8 -36.545 0.845 41.938 1.00 0.00 O ATOM 283 CB LYS B 8 -37.820 2.559 39.285 1.00 0.00 C ATOM 284 CG LYS B 8 -36.370 2.738 38.787 1.00 0.00 C ATOM 285 CD LYS B 8 -35.588 1.414 38.637 1.00 0.00 C ATOM 286 CE LYS B 8 -34.090 1.612 38.317 1.00 0.00 C ATOM 287 NZ LYS B 8 -33.400 2.157 39.532 1.00 0.00 N ATOM 0 H LYS B 8 -37.150 4.287 40.976 1.00 0.00 H new ATOM 0 HA LYS B 8 -39.184 2.283 40.887 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -38.228 1.679 38.788 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -38.392 3.417 38.933 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -36.388 3.248 37.824 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -35.836 3.387 39.481 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -35.681 0.841 39.559 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -36.044 0.820 37.845 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -33.640 0.664 38.021 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -33.972 2.297 37.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -32.370 2.088 39.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -33.667 3.153 39.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -33.684 1.608 40.368 1.00 0.00 H new ATOM 301 N ARG B 9 -38.669 0.154 41.685 1.00 0.00 N ATOM 302 CA ARG B 9 -38.558 -1.143 42.372 1.00 0.00 C ATOM 303 C ARG B 9 -39.038 -2.214 41.347 1.00 0.00 C ATOM 304 O ARG B 9 -39.995 -2.034 40.597 1.00 0.00 O ATOM 305 CB ARG B 9 -39.503 -1.128 43.607 1.00 0.00 C ATOM 306 CG ARG B 9 -39.138 -0.167 44.757 1.00 0.00 C ATOM 307 CD ARG B 9 -37.975 -0.653 45.635 1.00 0.00 C ATOM 308 NE ARG B 9 -37.406 0.487 46.413 1.00 0.00 N ATOM 309 CZ ARG B 9 -36.364 1.225 46.024 1.00 0.00 C ATOM 310 NH1 ARG B 9 -35.731 1.063 44.894 1.00 0.00 N ATOM 311 NH2 ARG B 9 -35.964 2.177 46.803 1.00 0.00 N ATOM 0 H ARG B 9 -39.612 0.323 41.335 1.00 0.00 H new ATOM 0 HA ARG B 9 -37.543 -1.351 42.710 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -40.507 -0.878 43.263 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -39.547 -2.139 44.012 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -38.880 0.805 44.336 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -40.016 -0.019 45.385 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -38.323 -1.430 46.316 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -37.201 -1.100 45.011 1.00 0.00 H new ATOM 0 HE ARG B 9 -37.844 0.718 47.305 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -36.026 0.335 44.244 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -34.941 1.665 44.661 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -36.442 2.347 47.688 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -35.170 2.758 46.533 1.00 0.00 H new ATOM 325 N MET B 10 -38.359 -3.344 41.334 1.00 0.00 N ATOM 326 CA MET B 10 -38.709 -4.494 40.442 1.00 0.00 C ATOM 327 C MET B 10 -40.133 -5.150 40.647 1.00 0.00 C ATOM 328 O MET B 10 -40.839 -4.918 41.629 1.00 0.00 O ATOM 329 CB MET B 10 -37.507 -5.490 40.455 1.00 0.00 C ATOM 330 CG MET B 10 -37.397 -6.526 41.601 1.00 0.00 C ATOM 331 SD MET B 10 -37.181 -5.774 43.230 1.00 0.00 S ATOM 332 CE MET B 10 -38.890 -5.660 43.793 1.00 0.00 C ATOM 0 H MET B 10 -37.548 -3.517 41.929 1.00 0.00 H new ATOM 0 HA MET B 10 -38.851 -4.103 39.434 1.00 0.00 H new ATOM 0 HB2 MET B 10 -37.528 -6.041 39.515 1.00 0.00 H new ATOM 0 HB3 MET B 10 -36.591 -4.899 40.458 1.00 0.00 H new ATOM 0 HG2 MET B 10 -38.295 -7.143 41.610 1.00 0.00 H new ATOM 0 HG3 MET B 10 -36.556 -7.190 41.401 1.00 0.00 H new ATOM 0 HE1 MET B 10 -38.937 -5.879 44.860 1.00 0.00 H new ATOM 0 HE2 MET B 10 -39.266 -4.653 43.612 1.00 0.00 H new ATOM 0 HE3 MET B 10 -39.501 -6.379 43.248 1.00 0.00 H new ATOM 342 N SER B 11 -40.550 -5.982 39.692 1.00 0.00 N ATOM 343 CA SER B 11 -41.670 -6.950 39.871 1.00 0.00 C ATOM 344 C SER B 11 -41.112 -8.412 39.829 1.00 0.00 C ATOM 345 O SER B 11 -40.608 -8.897 40.846 1.00 0.00 O ATOM 346 CB SER B 11 -42.777 -6.590 38.852 1.00 0.00 C ATOM 347 OG SER B 11 -43.813 -7.573 38.860 1.00 0.00 O ATOM 0 H SER B 11 -40.129 -6.016 38.764 1.00 0.00 H new ATOM 0 HA SER B 11 -42.146 -6.887 40.849 1.00 0.00 H new ATOM 0 HB2 SER B 11 -43.195 -5.613 39.093 1.00 0.00 H new ATOM 0 HB3 SER B 11 -42.348 -6.516 37.853 1.00 0.00 H new ATOM 0 HG SER B 11 -44.504 -7.326 38.210 1.00 0.00 H new ATOM 353 N ARG B 12 -41.150 -9.107 38.674 1.00 0.00 N ATOM 354 CA ARG B 12 -40.597 -10.496 38.552 1.00 0.00 C ATOM 355 C ARG B 12 -39.031 -10.553 38.389 1.00 0.00 C ATOM 356 O ARG B 12 -38.511 -10.975 37.353 1.00 0.00 O ATOM 357 CB ARG B 12 -41.355 -11.215 37.392 1.00 0.00 C ATOM 358 CG ARG B 12 -42.864 -11.482 37.609 1.00 0.00 C ATOM 359 CD ARG B 12 -43.190 -12.695 38.504 1.00 0.00 C ATOM 360 NE ARG B 12 -44.624 -12.572 38.865 1.00 0.00 N ATOM 361 CZ ARG B 12 -45.605 -13.411 38.594 1.00 0.00 C ATOM 362 NH1 ARG B 12 -45.455 -14.601 38.119 1.00 0.00 N ATOM 363 NH2 ARG B 12 -46.794 -12.996 38.797 1.00 0.00 N ATOM 0 H ARG B 12 -41.553 -8.743 37.810 1.00 0.00 H new ATOM 0 HA ARG B 12 -40.768 -11.023 39.491 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -41.242 -10.616 36.489 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -40.864 -12.170 37.205 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -43.315 -10.593 38.050 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -43.335 -11.630 36.637 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -43.001 -13.630 37.976 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -42.563 -12.700 39.396 1.00 0.00 H new ATOM 0 HE ARG B 12 -44.883 -11.735 39.387 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -44.520 -14.958 37.924 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -46.272 -15.185 37.938 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -46.951 -12.053 39.153 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -47.587 -13.607 38.603 1.00 0.00 H new ATOM 377 N SER B 13 -38.290 -10.160 39.444 1.00 0.00 N ATOM 378 CA SER B 13 -36.794 -10.182 39.503 1.00 0.00 C ATOM 379 C SER B 13 -36.059 -9.219 38.504 1.00 0.00 C ATOM 380 O SER B 13 -35.644 -8.125 38.892 1.00 0.00 O ATOM 381 CB SER B 13 -36.234 -11.631 39.580 1.00 0.00 C ATOM 382 OG SER B 13 -36.737 -12.328 40.723 1.00 0.00 O ATOM 0 H SER B 13 -38.713 -9.809 40.303 1.00 0.00 H new ATOM 0 HA SER B 13 -36.534 -9.720 40.455 1.00 0.00 H new ATOM 0 HB2 SER B 13 -36.503 -12.174 38.674 1.00 0.00 H new ATOM 0 HB3 SER B 13 -35.145 -11.600 39.622 1.00 0.00 H new ATOM 0 HG SER B 13 -36.368 -13.236 40.741 1.00 0.00 H new ATOM 388 N SER B 14 -35.902 -9.620 37.233 1.00 0.00 N ATOM 389 CA SER B 14 -35.393 -8.736 36.147 1.00 0.00 C ATOM 390 C SER B 14 -36.330 -8.879 34.905 1.00 0.00 C ATOM 391 O SER B 14 -36.209 -9.817 34.110 1.00 0.00 O ATOM 392 CB SER B 14 -33.918 -9.102 35.861 1.00 0.00 C ATOM 393 OG SER B 14 -33.351 -8.186 34.922 1.00 0.00 O ATOM 0 H SER B 14 -36.122 -10.565 36.918 1.00 0.00 H new ATOM 0 HA SER B 14 -35.407 -7.684 36.433 1.00 0.00 H new ATOM 0 HB2 SER B 14 -33.346 -9.083 36.788 1.00 0.00 H new ATOM 0 HB3 SER B 14 -33.858 -10.118 35.470 1.00 0.00 H new ATOM 0 HG SER B 14 -32.417 -8.429 34.751 1.00 0.00 H new ATOM 399 N GLY B 15 -37.318 -7.978 34.767 1.00 0.00 N ATOM 400 CA GLY B 15 -38.373 -8.131 33.727 1.00 0.00 C ATOM 401 C GLY B 15 -39.454 -7.035 33.688 1.00 0.00 C ATOM 402 O GLY B 15 -39.647 -6.392 32.653 1.00 0.00 O ATOM 0 H GLY B 15 -37.416 -7.146 35.348 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -37.889 -8.169 32.751 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -38.865 -9.092 33.877 1.00 0.00 H new ATOM 406 N ARG B 16 -40.233 -6.875 34.769 1.00 0.00 N ATOM 407 CA ARG B 16 -41.124 -5.691 34.957 1.00 0.00 C ATOM 408 C ARG B 16 -40.727 -4.869 36.239 1.00 0.00 C ATOM 409 O ARG B 16 -39.790 -5.204 36.972 1.00 0.00 O ATOM 410 CB ARG B 16 -42.611 -6.167 34.891 1.00 0.00 C ATOM 411 CG ARG B 16 -43.203 -6.360 33.468 1.00 0.00 C ATOM 412 CD ARG B 16 -42.871 -7.717 32.822 1.00 0.00 C ATOM 413 NE ARG B 16 -43.367 -7.782 31.415 1.00 0.00 N ATOM 414 CZ ARG B 16 -42.675 -7.423 30.334 1.00 0.00 C ATOM 415 NH1 ARG B 16 -41.478 -6.901 30.371 1.00 0.00 N ATOM 416 NH2 ARG B 16 -43.224 -7.595 29.174 1.00 0.00 N ATOM 0 H ARG B 16 -40.273 -7.547 35.536 1.00 0.00 H new ATOM 0 HA ARG B 16 -40.995 -4.972 34.148 1.00 0.00 H new ATOM 0 HB2 ARG B 16 -42.693 -7.112 35.428 1.00 0.00 H new ATOM 0 HB3 ARG B 16 -43.227 -5.443 35.424 1.00 0.00 H new ATOM 0 HG2 ARG B 16 -44.286 -6.251 33.520 1.00 0.00 H new ATOM 0 HG3 ARG B 16 -42.833 -5.563 32.822 1.00 0.00 H new ATOM 0 HD2 ARG B 16 -41.793 -7.876 32.838 1.00 0.00 H new ATOM 0 HD3 ARG B 16 -43.320 -8.520 33.406 1.00 0.00 H new ATOM 0 HE ARG B 16 -44.315 -8.130 31.269 1.00 0.00 H new ATOM 0 HH11 ARG B 16 -41.017 -6.746 31.267 1.00 0.00 H new ATOM 0 HH12 ARG B 16 -41.005 -6.649 29.503 1.00 0.00 H new ATOM 0 HH21 ARG B 16 -44.160 -7.995 29.107 1.00 0.00 H new ATOM 0 HH22 ARG B 16 -42.721 -7.330 28.327 1.00 0.00 H new ATOM 430 N VAL B 17 -41.397 -3.727 36.456 1.00 0.00 N ATOM 431 CA VAL B 17 -40.901 -2.641 37.364 1.00 0.00 C ATOM 432 C VAL B 17 -42.076 -1.696 37.790 1.00 0.00 C ATOM 433 O VAL B 17 -42.748 -1.113 36.937 1.00 0.00 O ATOM 434 CB VAL B 17 -39.671 -1.872 36.734 1.00 0.00 C ATOM 435 CG1 VAL B 17 -39.870 -1.371 35.286 1.00 0.00 C ATOM 436 CG2 VAL B 17 -39.176 -0.664 37.562 1.00 0.00 C ATOM 0 H VAL B 17 -42.294 -3.516 36.018 1.00 0.00 H new ATOM 0 HA VAL B 17 -40.523 -3.098 38.279 1.00 0.00 H new ATOM 0 HB VAL B 17 -38.922 -2.664 36.738 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -38.968 -0.858 34.951 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -40.069 -2.220 34.632 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -40.713 -0.681 35.252 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -38.331 -0.197 37.055 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -39.983 0.061 37.665 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -38.864 -1.003 38.550 1.00 0.00 H new ATOM 446 N TYR B 18 -42.254 -1.475 39.105 1.00 0.00 N ATOM 447 CA TYR B 18 -43.063 -0.337 39.629 1.00 0.00 C ATOM 448 C TYR B 18 -42.144 0.834 40.127 1.00 0.00 C ATOM 449 O TYR B 18 -40.911 0.773 40.056 1.00 0.00 O ATOM 450 CB TYR B 18 -44.084 -0.898 40.664 1.00 0.00 C ATOM 451 CG TYR B 18 -43.572 -1.332 42.055 1.00 0.00 C ATOM 452 CD1 TYR B 18 -43.049 -2.614 42.252 1.00 0.00 C ATOM 453 CD2 TYR B 18 -43.700 -0.471 43.151 1.00 0.00 C ATOM 454 CE1 TYR B 18 -42.668 -3.031 43.526 1.00 0.00 C ATOM 455 CE2 TYR B 18 -43.336 -0.897 44.427 1.00 0.00 C ATOM 456 CZ TYR B 18 -42.815 -2.173 44.612 1.00 0.00 C ATOM 457 OH TYR B 18 -42.435 -2.580 45.862 1.00 0.00 O ATOM 0 H TYR B 18 -41.852 -2.065 39.833 1.00 0.00 H new ATOM 0 HA TYR B 18 -43.653 0.134 38.843 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -44.850 -0.138 40.817 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -44.575 -1.759 40.210 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -42.940 -3.284 41.412 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -44.083 0.529 43.007 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -42.259 -4.020 43.671 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -43.459 -0.236 45.272 1.00 0.00 H new ATOM 0 HH TYR B 18 -42.604 -1.861 46.506 1.00 0.00 H new ATOM 467 N TYR B 19 -42.731 1.930 40.631 1.00 0.00 N ATOM 468 CA TYR B 19 -41.962 3.103 41.121 1.00 0.00 C ATOM 469 C TYR B 19 -42.660 3.723 42.373 1.00 0.00 C ATOM 470 O TYR B 19 -43.877 3.939 42.404 1.00 0.00 O ATOM 471 CB TYR B 19 -41.576 3.993 39.893 1.00 0.00 C ATOM 472 CG TYR B 19 -41.946 5.457 39.861 1.00 0.00 C ATOM 473 CD1 TYR B 19 -43.298 5.789 39.764 1.00 0.00 C ATOM 474 CD2 TYR B 19 -40.980 6.469 39.888 1.00 0.00 C ATOM 475 CE1 TYR B 19 -43.681 7.113 39.827 1.00 0.00 C ATOM 476 CE2 TYR B 19 -41.382 7.798 39.946 1.00 0.00 C ATOM 477 CZ TYR B 19 -42.741 8.106 39.973 1.00 0.00 C ATOM 478 OH TYR B 19 -43.222 9.364 40.165 1.00 0.00 O ATOM 0 H TYR B 19 -43.742 2.036 40.714 1.00 0.00 H new ATOM 0 HA TYR B 19 -40.987 2.864 41.546 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -40.494 3.932 39.779 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -42.016 3.531 39.009 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -44.040 5.014 39.640 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -39.930 6.219 39.864 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -44.728 7.372 39.761 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -40.646 8.588 39.970 1.00 0.00 H new ATOM 0 HH TYR B 19 -43.472 9.479 41.106 1.00 0.00 H new ATOM 488 N PHE B 20 -41.879 3.900 43.447 1.00 0.00 N ATOM 489 CA PHE B 20 -42.409 3.900 44.827 1.00 0.00 C ATOM 490 C PHE B 20 -41.928 5.141 45.630 1.00 0.00 C ATOM 491 O PHE B 20 -40.729 5.316 45.866 1.00 0.00 O ATOM 492 CB PHE B 20 -41.951 2.555 45.464 1.00 0.00 C ATOM 493 CG PHE B 20 -42.552 2.311 46.866 1.00 0.00 C ATOM 494 CD1 PHE B 20 -43.907 2.048 47.012 1.00 0.00 C ATOM 495 CD2 PHE B 20 -41.771 2.473 47.997 1.00 0.00 C ATOM 496 CE1 PHE B 20 -44.480 1.950 48.275 1.00 0.00 C ATOM 497 CE2 PHE B 20 -42.333 2.377 49.266 1.00 0.00 C ATOM 498 CZ PHE B 20 -43.711 2.101 49.458 1.00 0.00 C ATOM 0 H PHE B 20 -40.871 4.046 43.391 1.00 0.00 H new ATOM 0 HA PHE B 20 -43.496 3.974 44.836 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -42.234 1.733 44.806 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -40.863 2.546 45.535 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -44.523 1.918 46.135 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -40.715 2.676 47.893 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -45.539 1.754 48.358 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -41.701 2.517 50.131 1.00 0.00 H new ATOM 0 HZ PHE B 20 -44.147 2.011 50.442 1.00 0.00 H new ATOM 508 N ASN B 21 -42.872 5.955 46.112 1.00 0.00 N ATOM 509 CA ASN B 21 -42.575 7.054 47.064 1.00 0.00 C ATOM 510 C ASN B 21 -42.452 6.481 48.520 1.00 0.00 C ATOM 511 O ASN B 21 -43.422 5.930 49.039 1.00 0.00 O ATOM 512 CB ASN B 21 -43.715 8.105 46.899 1.00 0.00 C ATOM 513 CG ASN B 21 -43.497 9.573 47.263 1.00 0.00 C ATOM 514 OD1 ASN B 21 -44.265 10.446 46.885 1.00 0.00 O ATOM 515 ND2 ASN B 21 -42.515 9.908 48.045 1.00 0.00 N ATOM 0 H ASN B 21 -43.858 5.880 45.862 1.00 0.00 H new ATOM 0 HA ASN B 21 -41.619 7.538 46.862 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -44.023 8.079 45.854 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -44.561 7.753 47.490 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -42.399 10.881 48.330 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -41.860 9.198 48.374 1.00 0.00 H new ATOM 522 N HIS B 22 -41.284 6.586 49.174 1.00 0.00 N ATOM 523 CA HIS B 22 -41.068 6.029 50.553 1.00 0.00 C ATOM 524 C HIS B 22 -41.652 6.886 51.730 1.00 0.00 C ATOM 525 O HIS B 22 -42.246 6.346 52.663 1.00 0.00 O ATOM 526 CB HIS B 22 -39.543 5.769 50.745 1.00 0.00 C ATOM 527 CG HIS B 22 -39.048 4.414 50.252 1.00 0.00 C ATOM 528 ND1 HIS B 22 -39.031 3.294 51.054 1.00 0.00 N ATOM 529 CD2 HIS B 22 -38.517 4.105 48.990 1.00 0.00 C ATOM 530 CE1 HIS B 22 -38.497 2.379 50.195 1.00 0.00 C ATOM 531 NE2 HIS B 22 -38.141 2.762 48.922 1.00 0.00 N ATOM 0 H HIS B 22 -40.463 7.049 48.784 1.00 0.00 H new ATOM 0 HA HIS B 22 -41.639 5.102 50.608 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -38.989 6.551 50.226 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -39.306 5.861 51.805 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -39.334 3.181 52.021 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -38.413 4.812 48.180 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -38.354 1.357 50.513 1.00 0.00 H new ATOM 539 N ILE B 23 -41.467 8.212 51.693 1.00 0.00 N ATOM 540 CA ILE B 23 -42.082 9.181 52.662 1.00 0.00 C ATOM 541 C ILE B 23 -43.656 9.241 52.651 1.00 0.00 C ATOM 542 O ILE B 23 -44.285 9.201 53.709 1.00 0.00 O ATOM 543 CB ILE B 23 -41.386 10.590 52.522 1.00 0.00 C ATOM 544 CG1 ILE B 23 -41.403 11.179 51.073 1.00 0.00 C ATOM 545 CG2 ILE B 23 -39.951 10.565 53.115 1.00 0.00 C ATOM 546 CD1 ILE B 23 -40.808 12.577 50.869 1.00 0.00 C ATOM 0 H ILE B 23 -40.884 8.665 50.990 1.00 0.00 H new ATOM 0 HA ILE B 23 -41.881 8.795 53.661 1.00 0.00 H new ATOM 0 HB ILE B 23 -41.995 11.277 53.110 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -40.867 10.487 50.423 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -42.438 11.201 50.731 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -39.495 11.549 53.005 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -39.999 10.303 54.172 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -39.351 9.826 52.585 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -40.887 12.856 49.818 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -41.354 13.297 51.478 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -39.759 12.573 51.165 1.00 0.00 H new ATOM 558 N THR B 24 -44.283 9.285 51.466 1.00 0.00 N ATOM 559 CA THR B 24 -45.754 9.063 51.288 1.00 0.00 C ATOM 560 C THR B 24 -46.231 7.579 51.525 1.00 0.00 C ATOM 561 O THR B 24 -47.212 7.344 52.231 1.00 0.00 O ATOM 562 CB THR B 24 -46.099 9.561 49.845 1.00 0.00 C ATOM 563 OG1 THR B 24 -45.817 10.948 49.687 1.00 0.00 O ATOM 564 CG2 THR B 24 -47.553 9.371 49.407 1.00 0.00 C ATOM 0 H THR B 24 -43.795 9.475 50.591 1.00 0.00 H new ATOM 0 HA THR B 24 -46.293 9.620 52.054 1.00 0.00 H new ATOM 0 HB THR B 24 -45.467 8.929 49.221 1.00 0.00 H new ATOM 0 HG1 THR B 24 -45.343 11.091 48.841 1.00 0.00 H new ATOM 0 HG21 THR B 24 -47.680 9.750 48.393 1.00 0.00 H new ATOM 0 HG22 THR B 24 -47.805 8.311 49.432 1.00 0.00 H new ATOM 0 HG23 THR B 24 -48.211 9.917 50.083 1.00 0.00 H new ATOM 572 N ASN B 25 -45.569 6.608 50.870 1.00 0.00 N ATOM 573 CA ASN B 25 -45.975 5.188 50.725 1.00 0.00 C ATOM 574 C ASN B 25 -47.020 4.975 49.576 1.00 0.00 C ATOM 575 O ASN B 25 -48.207 4.743 49.818 1.00 0.00 O ATOM 576 CB ASN B 25 -46.249 4.459 52.056 1.00 0.00 C ATOM 577 CG ASN B 25 -45.071 4.376 53.026 1.00 0.00 C ATOM 578 OD1 ASN B 25 -44.197 3.524 52.909 1.00 0.00 O ATOM 579 ND2 ASN B 25 -44.990 5.261 53.982 1.00 0.00 N ATOM 0 H ASN B 25 -44.685 6.799 50.399 1.00 0.00 H new ATOM 0 HA ASN B 25 -45.094 4.651 50.373 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -47.075 4.961 52.560 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -46.582 3.446 51.831 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -44.201 5.242 54.629 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -45.715 5.971 54.082 1.00 0.00 H new ATOM 586 N ALA B 26 -46.562 5.066 48.308 1.00 0.00 N ATOM 587 CA ALA B 26 -47.444 4.988 47.111 1.00 0.00 C ATOM 588 C ALA B 26 -46.714 4.375 45.868 1.00 0.00 C ATOM 589 O ALA B 26 -45.686 4.891 45.417 1.00 0.00 O ATOM 590 CB ALA B 26 -47.960 6.412 46.812 1.00 0.00 C ATOM 0 H ALA B 26 -45.576 5.195 48.081 1.00 0.00 H new ATOM 0 HA ALA B 26 -48.277 4.317 47.322 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -48.611 6.387 45.938 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -48.519 6.784 47.670 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -47.115 7.072 46.616 1.00 0.00 H new ATOM 596 N SER B 27 -47.269 3.291 45.299 1.00 0.00 N ATOM 597 CA SER B 27 -46.778 2.676 44.031 1.00 0.00 C ATOM 598 C SER B 27 -47.627 3.066 42.783 1.00 0.00 C ATOM 599 O SER B 27 -48.806 2.721 42.666 1.00 0.00 O ATOM 600 CB SER B 27 -46.774 1.136 44.185 1.00 0.00 C ATOM 601 OG SER B 27 -48.038 0.601 44.592 1.00 0.00 O ATOM 0 H SER B 27 -48.073 2.807 45.698 1.00 0.00 H new ATOM 0 HA SER B 27 -45.772 3.060 43.859 1.00 0.00 H new ATOM 0 HB2 SER B 27 -46.486 0.684 43.236 1.00 0.00 H new ATOM 0 HB3 SER B 27 -46.016 0.854 44.916 1.00 0.00 H new ATOM 0 HG SER B 27 -48.760 1.089 44.143 1.00 0.00 H new ATOM 607 N GLN B 28 -46.974 3.691 41.807 1.00 0.00 N ATOM 608 CA GLN B 28 -47.441 3.705 40.385 1.00 0.00 C ATOM 609 C GLN B 28 -46.315 3.128 39.454 1.00 0.00 C ATOM 610 O GLN B 28 -45.376 2.472 39.911 1.00 0.00 O ATOM 611 CB GLN B 28 -48.007 5.118 40.043 1.00 0.00 C ATOM 612 CG GLN B 28 -47.013 6.286 40.088 1.00 0.00 C ATOM 613 CD GLN B 28 -47.693 7.627 39.811 1.00 0.00 C ATOM 614 OE1 GLN B 28 -48.224 8.301 40.684 1.00 0.00 O ATOM 615 NE2 GLN B 28 -47.744 7.995 38.560 1.00 0.00 N ATOM 0 H GLN B 28 -46.107 4.206 41.958 1.00 0.00 H new ATOM 0 HA GLN B 28 -48.283 3.036 40.210 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -48.441 5.078 39.044 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -48.820 5.336 40.735 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -46.534 6.317 41.067 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -46.225 6.120 39.353 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -47.297 7.425 37.842 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -48.230 8.853 38.300 1.00 0.00 H new ATOM 624 N TRP B 29 -46.415 3.314 38.134 1.00 0.00 N ATOM 625 CA TRP B 29 -45.282 3.050 37.182 1.00 0.00 C ATOM 626 C TRP B 29 -44.719 4.346 36.476 1.00 0.00 C ATOM 627 O TRP B 29 -43.571 4.331 36.029 1.00 0.00 O ATOM 628 CB TRP B 29 -45.707 1.980 36.131 1.00 0.00 C ATOM 629 CG TRP B 29 -45.963 0.525 36.519 1.00 0.00 C ATOM 630 CD1 TRP B 29 -46.425 0.042 37.748 1.00 0.00 C ATOM 631 CD2 TRP B 29 -45.645 -0.610 35.772 1.00 0.00 C ATOM 632 NE1 TRP B 29 -46.345 -1.340 37.812 1.00 0.00 N ATOM 633 CE2 TRP B 29 -45.873 -1.735 36.590 1.00 0.00 C ATOM 634 CE3 TRP B 29 -45.092 -0.775 34.469 1.00 0.00 C ATOM 635 CZ2 TRP B 29 -45.548 -3.028 36.140 1.00 0.00 C ATOM 636 CZ3 TRP B 29 -44.806 -2.071 34.029 1.00 0.00 C ATOM 637 CH2 TRP B 29 -45.044 -3.180 34.848 1.00 0.00 C ATOM 0 H TRP B 29 -47.265 3.647 37.679 1.00 0.00 H new ATOM 0 HA TRP B 29 -44.457 2.668 37.783 1.00 0.00 H new ATOM 0 HB2 TRP B 29 -46.620 2.346 35.661 1.00 0.00 H new ATOM 0 HB3 TRP B 29 -44.934 1.970 35.362 1.00 0.00 H new ATOM 0 HD1 TRP B 29 -46.797 0.667 38.546 1.00 0.00 H new ATOM 0 HE1 TRP B 29 -46.587 -1.937 38.603 1.00 0.00 H new ATOM 0 HE3 TRP B 29 -44.899 0.079 33.837 1.00 0.00 H new ATOM 0 HZ2 TRP B 29 -45.686 -3.886 36.782 1.00 0.00 H new ATOM 0 HZ3 TRP B 29 -44.395 -2.218 33.041 1.00 0.00 H new ATOM 0 HH2 TRP B 29 -44.834 -4.171 34.474 1.00 0.00 H new ATOM 648 N GLU B 30 -45.503 5.440 36.358 1.00 0.00 N ATOM 649 CA GLU B 30 -45.139 6.654 35.575 1.00 0.00 C ATOM 650 C GLU B 30 -44.566 7.800 36.444 1.00 0.00 C ATOM 651 O GLU B 30 -45.094 8.186 37.488 1.00 0.00 O ATOM 652 CB GLU B 30 -46.413 7.117 34.803 1.00 0.00 C ATOM 653 CG GLU B 30 -46.319 8.407 33.923 1.00 0.00 C ATOM 654 CD GLU B 30 -45.201 8.580 32.905 1.00 0.00 C ATOM 655 OE1 GLU B 30 -44.090 8.050 33.089 1.00 0.00 O ATOM 656 OE2 GLU B 30 -45.372 9.377 31.966 1.00 0.00 O ATOM 0 H GLU B 30 -46.417 5.511 36.806 1.00 0.00 H new ATOM 0 HA GLU B 30 -44.335 6.395 34.886 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -46.727 6.297 34.158 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -47.207 7.270 35.534 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -47.261 8.493 33.381 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -46.264 9.256 34.605 1.00 0.00 H new ATOM 663 N ARG B 31 -43.474 8.360 35.940 1.00 0.00 N ATOM 664 CA ARG B 31 -42.622 9.301 36.678 1.00 0.00 C ATOM 665 C ARG B 31 -43.096 10.781 36.758 1.00 0.00 C ATOM 666 O ARG B 31 -43.990 11.149 35.992 1.00 0.00 O ATOM 667 CB ARG B 31 -41.170 8.884 36.336 1.00 0.00 C ATOM 668 CG ARG B 31 -40.449 9.614 35.182 1.00 0.00 C ATOM 669 CD ARG B 31 -40.569 8.891 33.834 1.00 0.00 C ATOM 670 NE ARG B 31 -41.745 9.392 33.073 1.00 0.00 N ATOM 671 CZ ARG B 31 -41.826 10.482 32.328 1.00 0.00 C ATOM 672 NH1 ARG B 31 -40.829 11.293 32.129 1.00 0.00 N ATOM 673 NH2 ARG B 31 -42.965 10.757 31.782 1.00 0.00 N ATOM 0 H ARG B 31 -43.145 8.174 34.993 1.00 0.00 H new ATOM 0 HA ARG B 31 -42.707 9.235 37.763 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -40.568 9.009 37.236 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -41.177 7.819 36.103 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -40.860 10.619 35.085 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -39.394 9.724 35.434 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -39.660 9.044 33.251 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -40.666 7.818 33.998 1.00 0.00 H new ATOM 0 HE ARG B 31 -42.592 8.826 33.133 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -39.924 11.103 32.558 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -40.953 12.119 31.544 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -43.764 10.142 31.932 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -43.064 11.589 31.201 1.00 0.00 H new ATOM 687 N PRO B 32 -42.591 11.646 37.699 1.00 0.00 N ATOM 688 CA PRO B 32 -43.231 12.965 38.022 1.00 0.00 C ATOM 689 C PRO B 32 -43.201 14.096 36.922 1.00 0.00 C ATOM 690 O PRO B 32 -43.136 15.290 37.226 1.00 0.00 O ATOM 691 CB PRO B 32 -42.372 13.403 39.249 1.00 0.00 C ATOM 692 CG PRO B 32 -41.826 12.141 39.861 1.00 0.00 C ATOM 693 CD PRO B 32 -41.532 11.274 38.650 1.00 0.00 C ATOM 0 HA PRO B 32 -44.305 12.837 38.158 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -41.564 14.065 38.940 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -42.977 13.953 39.970 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -40.928 12.333 40.448 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -42.548 11.671 40.528 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -40.540 11.473 38.245 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -41.568 10.213 38.897 1.00 0.00 H new ATOM 701 N SER B 33 -43.133 13.699 35.645 1.00 0.00 N ATOM 702 CA SER B 33 -42.559 14.507 34.524 1.00 0.00 C ATOM 703 C SER B 33 -41.004 14.710 34.554 1.00 0.00 C ATOM 704 O SER B 33 -40.334 14.415 33.558 1.00 0.00 O ATOM 705 CB SER B 33 -43.330 15.817 34.214 1.00 0.00 C ATOM 706 OG SER B 33 -44.709 15.556 33.958 1.00 0.00 O ATOM 0 H SER B 33 -43.479 12.789 35.340 1.00 0.00 H new ATOM 0 HA SER B 33 -42.726 13.853 33.668 1.00 0.00 H new ATOM 0 HB2 SER B 33 -43.237 16.504 35.055 1.00 0.00 H new ATOM 0 HB3 SER B 33 -42.884 16.309 33.350 1.00 0.00 H new ATOM 0 HG SER B 33 -45.172 16.399 33.767 1.00 0.00 H new