USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 499 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 11 LYS NZ :NH3+ -163:sc= -0.24 (180deg=-1.09) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 30:sc= 0.66 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0146) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.579) USER MOD Single : A 50 THR OG1 : rot -75:sc= 1.17 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0.364 (180deg=0.152) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 65 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.021) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=0.56) USER MOD Single : A 68 GLN : amide:sc=-0.00796 K(o=-0.008,f=-1.1) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 9.150 -16.558 -7.024 1.00 0.00 N ATOM 192 CA VAL A 10 8.593 -15.306 -6.527 1.00 0.00 C ATOM 193 C VAL A 10 8.199 -14.385 -7.677 1.00 0.00 C ATOM 194 O VAL A 10 8.901 -14.296 -8.684 1.00 0.00 O ATOM 195 CB VAL A 10 9.591 -14.570 -5.614 1.00 0.00 C ATOM 196 CG1 VAL A 10 9.063 -13.192 -5.245 1.00 0.00 C ATOM 197 CG2 VAL A 10 9.877 -15.392 -4.366 1.00 0.00 C ATOM 0 HA VAL A 10 7.705 -15.562 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 10 10.526 -14.440 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.782 -12.688 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.914 -12.605 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.114 -13.295 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.584 -14.857 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.949 -15.555 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.303 -16.353 -4.653 1.00 0.00 H new ATOM 207 N LYS A 11 7.071 -13.701 -7.519 1.00 0.00 N ATOM 208 CA LYS A 11 6.583 -12.784 -8.543 1.00 0.00 C ATOM 209 C LYS A 11 6.130 -11.466 -7.922 1.00 0.00 C ATOM 210 O LYS A 11 5.326 -11.452 -6.989 1.00 0.00 O ATOM 211 CB LYS A 11 5.425 -13.420 -9.316 1.00 0.00 C ATOM 212 CG LYS A 11 4.872 -12.535 -10.420 1.00 0.00 C ATOM 213 CD LYS A 11 3.758 -11.637 -9.909 1.00 0.00 C ATOM 214 CE LYS A 11 2.401 -12.317 -10.013 1.00 0.00 C ATOM 215 NZ LYS A 11 1.284 -11.371 -9.740 1.00 0.00 N ATOM 0 H LYS A 11 6.477 -13.764 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 11 7.403 -12.578 -9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.763 -14.361 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.623 -13.661 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.674 -11.923 -10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.496 -13.157 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.953 -11.369 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.746 -10.709 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.283 -12.741 -11.010 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.355 -13.146 -9.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.417 -11.907 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.525 -10.777 -8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.129 -10.767 -10.572 1.00 0.00 H new ATOM 229 N VAL A 12 6.650 -10.361 -8.445 1.00 0.00 N ATOM 230 CA VAL A 12 6.297 -9.038 -7.944 1.00 0.00 C ATOM 231 C VAL A 12 5.650 -8.192 -9.034 1.00 0.00 C ATOM 232 O VAL A 12 6.047 -8.248 -10.197 1.00 0.00 O ATOM 233 CB VAL A 12 7.533 -8.296 -7.399 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.171 -6.872 -7.007 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.127 -9.049 -6.218 1.00 0.00 C ATOM 0 H VAL A 12 7.318 -10.355 -9.216 1.00 0.00 H new ATOM 0 HA VAL A 12 5.584 -9.187 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 12 8.285 -8.250 -8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.056 -6.364 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.795 -6.339 -7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.402 -6.892 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.999 -8.512 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.383 -9.128 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.425 -10.048 -6.536 1.00 0.00 H new ATOM 245 N VAL A 13 4.649 -7.406 -8.649 1.00 0.00 N ATOM 246 CA VAL A 13 3.946 -6.546 -9.593 1.00 0.00 C ATOM 247 C VAL A 13 4.032 -5.083 -9.173 1.00 0.00 C ATOM 248 O VAL A 13 3.740 -4.737 -8.028 1.00 0.00 O ATOM 249 CB VAL A 13 2.464 -6.945 -9.721 1.00 0.00 C ATOM 250 CG1 VAL A 13 1.795 -6.163 -10.841 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.335 -8.443 -9.955 1.00 0.00 C ATOM 0 H VAL A 13 4.307 -7.347 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 13 4.433 -6.673 -10.560 1.00 0.00 H new ATOM 0 HB VAL A 13 1.958 -6.701 -8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.749 -6.458 -10.916 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.856 -5.096 -10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.300 -6.373 -11.784 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.281 -8.708 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.855 -8.714 -10.874 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.776 -8.982 -9.116 1.00 0.00 H new ATOM 261 N TYR A 14 4.435 -4.228 -10.106 1.00 0.00 N ATOM 262 CA TYR A 14 4.562 -2.801 -9.833 1.00 0.00 C ATOM 263 C TYR A 14 3.419 -2.020 -10.474 1.00 0.00 C ATOM 264 O TYR A 14 3.035 -2.283 -11.615 1.00 0.00 O ATOM 265 CB TYR A 14 5.904 -2.279 -10.347 1.00 0.00 C ATOM 266 CG TYR A 14 7.092 -2.778 -9.556 1.00 0.00 C ATOM 267 CD1 TYR A 14 7.547 -4.083 -9.698 1.00 0.00 C ATOM 268 CD2 TYR A 14 7.758 -1.945 -8.665 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.631 -4.544 -8.976 1.00 0.00 C ATOM 270 CE2 TYR A 14 8.844 -2.397 -7.941 1.00 0.00 C ATOM 271 CZ TYR A 14 9.277 -3.697 -8.100 1.00 0.00 C ATOM 272 OH TYR A 14 10.357 -4.151 -7.379 1.00 0.00 O ATOM 0 H TYR A 14 4.680 -4.498 -11.059 1.00 0.00 H new ATOM 0 HA TYR A 14 4.515 -2.658 -8.753 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.023 -2.573 -11.390 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.894 -1.189 -10.322 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.045 -4.748 -10.385 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.421 -0.927 -8.537 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.971 -5.562 -9.097 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.351 -1.736 -7.254 1.00 0.00 H new ATOM 0 HH TYR A 14 10.697 -3.429 -6.810 1.00 0.00 H new ATOM 282 N LEU A 15 2.881 -1.057 -9.734 1.00 0.00 N ATOM 283 CA LEU A 15 1.783 -0.235 -10.229 1.00 0.00 C ATOM 284 C LEU A 15 1.876 1.186 -9.682 1.00 0.00 C ATOM 285 O LEU A 15 2.205 1.391 -8.514 1.00 0.00 O ATOM 286 CB LEU A 15 0.440 -0.856 -9.841 1.00 0.00 C ATOM 287 CG LEU A 15 0.237 -2.319 -10.237 1.00 0.00 C ATOM 288 CD1 LEU A 15 0.734 -3.243 -9.136 1.00 0.00 C ATOM 289 CD2 LEU A 15 -1.228 -2.591 -10.544 1.00 0.00 C ATOM 0 H LEU A 15 3.187 -0.826 -8.789 1.00 0.00 H new ATOM 0 HA LEU A 15 1.856 -0.191 -11.316 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.323 -0.773 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.355 -0.264 -10.294 1.00 0.00 H new ATOM 0 HG LEU A 15 0.818 -2.516 -11.138 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.582 -4.280 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.796 -3.067 -8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.181 -3.045 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.353 -3.637 -10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.831 -2.377 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.552 -1.954 -11.367 1.00 0.00 H new ATOM 301 N ARG A 16 1.582 2.163 -10.533 1.00 0.00 N ATOM 302 CA ARG A 16 1.632 3.565 -10.135 1.00 0.00 C ATOM 303 C ARG A 16 0.257 4.051 -9.686 1.00 0.00 C ATOM 304 O ARG A 16 -0.709 4.002 -10.448 1.00 0.00 O ATOM 305 CB ARG A 16 2.138 4.428 -11.292 1.00 0.00 C ATOM 306 CG ARG A 16 3.634 4.310 -11.531 1.00 0.00 C ATOM 307 CD ARG A 16 3.978 3.033 -12.282 1.00 0.00 C ATOM 308 NE ARG A 16 5.419 2.800 -12.333 1.00 0.00 N ATOM 309 CZ ARG A 16 5.964 1.641 -12.684 1.00 0.00 C ATOM 310 NH1 ARG A 16 5.192 0.615 -13.015 1.00 0.00 N ATOM 311 NH2 ARG A 16 7.284 1.506 -12.706 1.00 0.00 N ATOM 0 H ARG A 16 1.307 2.010 -11.503 1.00 0.00 H new ATOM 0 HA ARG A 16 2.322 3.655 -9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.610 4.146 -12.203 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.892 5.471 -11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.982 5.173 -12.099 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.159 4.324 -10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.491 2.186 -11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.584 3.092 -13.297 1.00 0.00 H new ATOM 0 HE ARG A 16 6.041 3.570 -12.085 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.177 0.715 -13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.613 -0.274 -13.284 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.881 2.293 -12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.701 0.615 -12.976 1.00 0.00 H new ATOM 325 N CYS A 17 0.177 4.520 -8.445 1.00 0.00 N ATOM 326 CA CYS A 17 -1.079 5.014 -7.894 1.00 0.00 C ATOM 327 C CYS A 17 -0.825 5.968 -6.731 1.00 0.00 C ATOM 328 O CYS A 17 0.285 6.040 -6.203 1.00 0.00 O ATOM 329 CB CYS A 17 -1.951 3.847 -7.430 1.00 0.00 C ATOM 330 SG CYS A 17 -2.956 3.110 -8.740 1.00 0.00 S ATOM 0 H CYS A 17 0.967 4.568 -7.802 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.602 5.559 -8.680 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.310 3.076 -7.001 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.609 4.194 -6.633 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.347 3.244 -9.881 1.00 0.00 H new ATOM 336 N THR A 18 -1.861 6.702 -6.337 1.00 0.00 N ATOM 337 CA THR A 18 -1.750 7.654 -5.239 1.00 0.00 C ATOM 338 C THR A 18 -1.841 6.951 -3.890 1.00 0.00 C ATOM 339 O THR A 18 -2.690 6.084 -3.687 1.00 0.00 O ATOM 340 CB THR A 18 -2.847 8.733 -5.318 1.00 0.00 C ATOM 341 OG1 THR A 18 -2.896 9.287 -6.638 1.00 0.00 O ATOM 342 CG2 THR A 18 -2.590 9.841 -4.307 1.00 0.00 C ATOM 0 H THR A 18 -2.787 6.655 -6.762 1.00 0.00 H new ATOM 0 HA THR A 18 -0.774 8.131 -5.332 1.00 0.00 H new ATOM 0 HB THR A 18 -3.803 8.265 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.597 9.971 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.377 10.591 -4.381 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.583 9.421 -3.301 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.626 10.305 -4.513 1.00 0.00 H new ATOM 350 N GLY A 19 -0.960 7.331 -2.969 1.00 0.00 N ATOM 351 CA GLY A 19 -0.958 6.726 -1.650 1.00 0.00 C ATOM 352 C GLY A 19 -2.196 7.078 -0.850 1.00 0.00 C ATOM 353 O GLY A 19 -2.735 8.177 -0.977 1.00 0.00 O ATOM 0 H GLY A 19 -0.248 8.047 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.890 5.643 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.072 7.052 -1.105 1.00 0.00 H new ATOM 357 N GLY A 20 -2.650 6.142 -0.022 1.00 0.00 N ATOM 358 CA GLY A 20 -3.831 6.378 0.789 1.00 0.00 C ATOM 359 C GLY A 20 -4.985 6.940 -0.017 1.00 0.00 C ATOM 360 O GLY A 20 -5.662 7.869 0.423 1.00 0.00 O ATOM 0 H GLY A 20 -2.221 5.225 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.140 5.443 1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.583 7.070 1.594 1.00 0.00 H new ATOM 364 N GLU A 21 -5.208 6.378 -1.200 1.00 0.00 N ATOM 365 CA GLU A 21 -6.287 6.832 -2.070 1.00 0.00 C ATOM 366 C GLU A 21 -7.648 6.462 -1.487 1.00 0.00 C ATOM 367 O GLU A 21 -8.267 5.482 -1.901 1.00 0.00 O ATOM 368 CB GLU A 21 -6.136 6.225 -3.466 1.00 0.00 C ATOM 369 CG GLU A 21 -6.881 6.991 -4.547 1.00 0.00 C ATOM 370 CD GLU A 21 -6.213 6.885 -5.904 1.00 0.00 C ATOM 371 OE1 GLU A 21 -5.573 5.846 -6.171 1.00 0.00 O ATOM 372 OE2 GLU A 21 -6.331 7.840 -6.699 1.00 0.00 O ATOM 0 H GLU A 21 -4.656 5.608 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.226 7.918 -2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.078 6.187 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.497 5.197 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.901 6.612 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.950 8.041 -4.261 1.00 0.00 H new ATOM 437 N ALA A 27 -8.847 1.075 -10.398 1.00 0.00 N ATOM 438 CA ALA A 27 -7.794 0.870 -11.385 1.00 0.00 C ATOM 439 C ALA A 27 -7.067 -0.449 -11.146 1.00 0.00 C ATOM 440 O ALA A 27 -6.276 -0.893 -11.980 1.00 0.00 O ATOM 441 CB ALA A 27 -6.811 2.030 -11.357 1.00 0.00 C ATOM 0 HA ALA A 27 -8.257 0.826 -12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.030 1.863 -12.099 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.336 2.958 -11.585 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.361 2.102 -10.367 1.00 0.00 H new ATOM 447 N LEU A 28 -7.338 -1.070 -10.004 1.00 0.00 N ATOM 448 CA LEU A 28 -6.708 -2.339 -9.655 1.00 0.00 C ATOM 449 C LEU A 28 -7.652 -3.507 -9.922 1.00 0.00 C ATOM 450 O LEU A 28 -7.251 -4.669 -9.860 1.00 0.00 O ATOM 451 CB LEU A 28 -6.287 -2.335 -8.184 1.00 0.00 C ATOM 452 CG LEU A 28 -5.167 -1.363 -7.810 1.00 0.00 C ATOM 453 CD1 LEU A 28 -4.902 -1.405 -6.313 1.00 0.00 C ATOM 454 CD2 LEU A 28 -3.899 -1.684 -8.588 1.00 0.00 C ATOM 0 H LEU A 28 -7.990 -0.716 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.823 -2.461 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.162 -2.101 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.972 -3.343 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.485 -0.354 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.102 -0.707 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.808 -1.125 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.606 -2.413 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.113 -0.982 -8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.577 -2.699 -8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.097 -1.601 -9.657 1.00 0.00 H new ATOM 466 N ALA A 29 -8.908 -3.190 -10.220 1.00 0.00 N ATOM 467 CA ALA A 29 -9.908 -4.213 -10.500 1.00 0.00 C ATOM 468 C ALA A 29 -9.463 -5.116 -11.646 1.00 0.00 C ATOM 469 O ALA A 29 -9.360 -6.334 -11.504 1.00 0.00 O ATOM 470 CB ALA A 29 -11.247 -3.567 -10.824 1.00 0.00 C ATOM 0 H ALA A 29 -9.257 -2.233 -10.274 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.021 -4.830 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.984 -4.342 -11.031 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.578 -2.969 -9.975 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.139 -2.926 -11.699 1.00 0.00 H new ATOM 476 N PRO A 30 -9.194 -4.507 -12.810 1.00 0.00 N ATOM 477 CA PRO A 30 -8.757 -5.237 -14.004 1.00 0.00 C ATOM 478 C PRO A 30 -7.345 -5.795 -13.857 1.00 0.00 C ATOM 479 O PRO A 30 -6.980 -6.771 -14.512 1.00 0.00 O ATOM 480 CB PRO A 30 -8.800 -4.176 -15.106 1.00 0.00 C ATOM 481 CG PRO A 30 -8.634 -2.880 -14.390 1.00 0.00 C ATOM 482 CD PRO A 30 -9.296 -3.058 -13.052 1.00 0.00 C ATOM 0 HA PRO A 30 -9.387 -6.104 -14.204 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.005 -4.330 -15.835 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.743 -4.209 -15.651 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.579 -2.631 -14.273 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.094 -2.064 -14.948 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.791 -2.484 -12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.334 -2.726 -13.070 1.00 0.00 H new ATOM 490 N LYS A 31 -6.554 -5.168 -12.992 1.00 0.00 N ATOM 491 CA LYS A 31 -5.182 -5.603 -12.757 1.00 0.00 C ATOM 492 C LYS A 31 -5.150 -6.869 -11.907 1.00 0.00 C ATOM 493 O LYS A 31 -4.417 -7.811 -12.209 1.00 0.00 O ATOM 494 CB LYS A 31 -4.385 -4.492 -12.068 1.00 0.00 C ATOM 495 CG LYS A 31 -4.594 -3.120 -12.686 1.00 0.00 C ATOM 496 CD LYS A 31 -3.651 -2.885 -13.854 1.00 0.00 C ATOM 497 CE LYS A 31 -4.253 -3.375 -15.162 1.00 0.00 C ATOM 498 NZ LYS A 31 -3.204 -3.810 -16.126 1.00 0.00 N ATOM 0 H LYS A 31 -6.840 -4.357 -12.443 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.727 -5.824 -13.722 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.666 -4.454 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.324 -4.740 -12.106 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.626 -3.026 -13.025 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.436 -2.351 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.424 -1.822 -13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.708 -3.399 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.930 -4.206 -14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.849 -2.579 -15.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.654 -4.137 -17.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.573 -3.010 -16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.651 -4.587 -15.710 1.00 0.00 H new ATOM 512 N ILE A 32 -5.948 -6.883 -10.846 1.00 0.00 N ATOM 513 CA ILE A 32 -6.012 -8.035 -9.954 1.00 0.00 C ATOM 514 C ILE A 32 -7.163 -8.960 -10.334 1.00 0.00 C ATOM 515 O ILE A 32 -7.403 -9.972 -9.676 1.00 0.00 O ATOM 516 CB ILE A 32 -6.180 -7.602 -8.486 1.00 0.00 C ATOM 517 CG1 ILE A 32 -5.313 -6.376 -8.191 1.00 0.00 C ATOM 518 CG2 ILE A 32 -5.822 -8.747 -7.551 1.00 0.00 C ATOM 519 CD1 ILE A 32 -5.614 -5.730 -6.856 1.00 0.00 C ATOM 0 H ILE A 32 -6.559 -6.110 -10.582 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.068 -8.570 -10.061 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.224 -7.335 -8.319 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.263 -6.669 -8.215 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.457 -5.640 -8.982 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.946 -8.425 -6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.477 -9.596 -7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.786 -9.042 -7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.962 -4.868 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.654 -5.406 -6.835 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.442 -6.450 -6.056 1.00 0.00 H new ATOM 531 N GLY A 33 -7.872 -8.607 -11.402 1.00 0.00 N ATOM 532 CA GLY A 33 -8.989 -9.418 -11.853 1.00 0.00 C ATOM 533 C GLY A 33 -8.584 -10.848 -12.150 1.00 0.00 C ATOM 534 O GLY A 33 -9.080 -11.795 -11.541 1.00 0.00 O ATOM 0 H GLY A 33 -7.693 -7.774 -11.963 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.768 -9.415 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.419 -8.972 -12.750 1.00 0.00 H new ATOM 538 N PRO A 34 -7.663 -11.019 -13.110 1.00 0.00 N ATOM 539 CA PRO A 34 -7.172 -12.341 -13.510 1.00 0.00 C ATOM 540 C PRO A 34 -6.312 -12.991 -12.432 1.00 0.00 C ATOM 541 O PRO A 34 -6.170 -14.213 -12.390 1.00 0.00 O ATOM 542 CB PRO A 34 -6.335 -12.046 -14.757 1.00 0.00 C ATOM 543 CG PRO A 34 -5.906 -10.628 -14.599 1.00 0.00 C ATOM 544 CD PRO A 34 -7.028 -9.934 -13.878 1.00 0.00 C ATOM 0 HA PRO A 34 -7.987 -13.043 -13.684 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.476 -12.714 -14.825 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.919 -12.184 -15.667 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.978 -10.562 -14.032 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.720 -10.166 -15.569 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.658 -9.143 -13.226 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.728 -9.472 -14.574 1.00 0.00 H new ATOM 552 N LEU A 35 -5.739 -12.166 -11.562 1.00 0.00 N ATOM 553 CA LEU A 35 -4.892 -12.661 -10.482 1.00 0.00 C ATOM 554 C LEU A 35 -5.689 -13.541 -9.525 1.00 0.00 C ATOM 555 O LEU A 35 -5.298 -14.671 -9.233 1.00 0.00 O ATOM 556 CB LEU A 35 -4.270 -11.490 -9.718 1.00 0.00 C ATOM 557 CG LEU A 35 -2.941 -10.966 -10.261 1.00 0.00 C ATOM 558 CD1 LEU A 35 -3.069 -10.607 -11.734 1.00 0.00 C ATOM 559 CD2 LEU A 35 -2.474 -9.761 -9.457 1.00 0.00 C ATOM 0 H LEU A 35 -5.845 -11.152 -11.583 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.097 -13.263 -10.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.985 -10.668 -9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.121 -11.796 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.195 -11.755 -10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.113 -10.236 -12.102 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.357 -11.492 -12.301 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.829 -9.835 -11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.526 -9.401 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.220 -8.969 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.341 -10.049 -8.414 1.00 0.00 H new ATOM 571 N GLY A 36 -6.811 -13.017 -9.041 1.00 0.00 N ATOM 572 CA GLY A 36 -7.646 -13.769 -8.123 1.00 0.00 C ATOM 573 C GLY A 36 -8.088 -12.944 -6.931 1.00 0.00 C ATOM 574 O GLY A 36 -9.283 -12.727 -6.725 1.00 0.00 O ATOM 0 H GLY A 36 -7.157 -12.085 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.525 -14.135 -8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.098 -14.644 -7.772 1.00 0.00 H new ATOM 578 N LEU A 37 -7.124 -12.483 -6.143 1.00 0.00 N ATOM 579 CA LEU A 37 -7.419 -11.677 -4.963 1.00 0.00 C ATOM 580 C LEU A 37 -8.314 -10.495 -5.321 1.00 0.00 C ATOM 581 O LEU A 37 -8.484 -10.166 -6.495 1.00 0.00 O ATOM 582 CB LEU A 37 -6.122 -11.176 -4.325 1.00 0.00 C ATOM 583 CG LEU A 37 -5.309 -12.215 -3.552 1.00 0.00 C ATOM 584 CD1 LEU A 37 -4.686 -13.222 -4.505 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.236 -11.535 -2.714 1.00 0.00 C ATOM 0 H LEU A 37 -6.131 -12.653 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.948 -12.306 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.491 -10.761 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.366 -10.358 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.981 -12.750 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.111 -13.953 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.473 -13.732 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.026 -12.704 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.667 -12.289 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.566 -10.975 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.706 -10.854 -2.005 1.00 0.00 H new ATOM 597 N SER A 38 -8.881 -9.859 -4.301 1.00 0.00 N ATOM 598 CA SER A 38 -9.760 -8.713 -4.509 1.00 0.00 C ATOM 599 C SER A 38 -8.981 -7.405 -4.404 1.00 0.00 C ATOM 600 O SER A 38 -8.079 -7.255 -3.579 1.00 0.00 O ATOM 601 CB SER A 38 -10.898 -8.725 -3.487 1.00 0.00 C ATOM 602 OG SER A 38 -10.395 -8.772 -2.163 1.00 0.00 O ATOM 0 H SER A 38 -8.748 -10.117 -3.323 1.00 0.00 H new ATOM 0 HA SER A 38 -10.181 -8.786 -5.512 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.514 -7.835 -3.614 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.542 -9.586 -3.665 1.00 0.00 H new ATOM 0 HG SER A 38 -11.142 -8.777 -1.529 1.00 0.00 H new ATOM 608 N PRO A 39 -9.336 -6.436 -5.259 1.00 0.00 N ATOM 609 CA PRO A 39 -8.685 -5.123 -5.283 1.00 0.00 C ATOM 610 C PRO A 39 -9.014 -4.290 -4.049 1.00 0.00 C ATOM 611 O PRO A 39 -8.220 -3.451 -3.623 1.00 0.00 O ATOM 612 CB PRO A 39 -9.258 -4.465 -6.541 1.00 0.00 C ATOM 613 CG PRO A 39 -10.573 -5.132 -6.751 1.00 0.00 C ATOM 614 CD PRO A 39 -10.403 -6.546 -6.269 1.00 0.00 C ATOM 0 HA PRO A 39 -7.598 -5.207 -5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.376 -3.390 -6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.600 -4.609 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.361 -4.623 -6.197 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.858 -5.110 -7.803 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.325 -6.938 -5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.120 -7.216 -7.081 1.00 0.00 H new ATOM 622 N LYS A 40 -10.190 -4.526 -3.478 1.00 0.00 N ATOM 623 CA LYS A 40 -10.625 -3.800 -2.291 1.00 0.00 C ATOM 624 C LYS A 40 -9.783 -4.185 -1.078 1.00 0.00 C ATOM 625 O LYS A 40 -9.211 -3.325 -0.408 1.00 0.00 O ATOM 626 CB LYS A 40 -12.102 -4.080 -2.009 1.00 0.00 C ATOM 627 CG LYS A 40 -13.051 -3.269 -2.875 1.00 0.00 C ATOM 628 CD LYS A 40 -13.167 -3.853 -4.273 1.00 0.00 C ATOM 629 CE LYS A 40 -14.472 -3.449 -4.940 1.00 0.00 C ATOM 630 NZ LYS A 40 -14.497 -1.999 -5.276 1.00 0.00 N ATOM 0 H LYS A 40 -10.860 -5.216 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.493 -2.735 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.298 -5.141 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.310 -3.868 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.036 -3.240 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.698 -2.240 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.327 -3.515 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.105 -4.940 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.612 -4.035 -5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.306 -3.683 -4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.403 -1.763 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.389 -1.439 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.717 -1.780 -5.928 1.00 0.00 H new ATOM 644 N LYS A 41 -9.710 -5.482 -0.802 1.00 0.00 N ATOM 645 CA LYS A 41 -8.936 -5.982 0.327 1.00 0.00 C ATOM 646 C LYS A 41 -7.469 -5.581 0.203 1.00 0.00 C ATOM 647 O LYS A 41 -6.864 -5.098 1.160 1.00 0.00 O ATOM 648 CB LYS A 41 -9.052 -7.506 0.417 1.00 0.00 C ATOM 649 CG LYS A 41 -8.758 -8.058 1.802 1.00 0.00 C ATOM 650 CD LYS A 41 -9.225 -9.497 1.939 1.00 0.00 C ATOM 651 CE LYS A 41 -8.248 -10.465 1.289 1.00 0.00 C ATOM 652 NZ LYS A 41 -7.039 -10.681 2.131 1.00 0.00 N ATOM 0 H LYS A 41 -10.178 -6.207 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.340 -5.538 1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.059 -7.803 0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.364 -7.957 -0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.687 -8.002 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.252 -7.441 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.337 -9.745 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.207 -9.607 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.744 -11.420 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.948 -10.079 0.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.438 -11.409 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.505 -9.792 2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.328 -10.993 3.080 1.00 0.00 H new ATOM 666 N VAL A 42 -6.904 -5.782 -0.983 1.00 0.00 N ATOM 667 CA VAL A 42 -5.509 -5.438 -1.234 1.00 0.00 C ATOM 668 C VAL A 42 -5.307 -3.927 -1.230 1.00 0.00 C ATOM 669 O VAL A 42 -4.311 -3.425 -0.710 1.00 0.00 O ATOM 670 CB VAL A 42 -5.024 -6.007 -2.580 1.00 0.00 C ATOM 671 CG1 VAL A 42 -3.700 -5.374 -2.982 1.00 0.00 C ATOM 672 CG2 VAL A 42 -4.899 -7.521 -2.504 1.00 0.00 C ATOM 0 H VAL A 42 -7.391 -6.181 -1.786 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.923 -5.882 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.762 -5.764 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.373 -5.789 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.827 -4.296 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.950 -5.584 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.555 -7.906 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.182 -7.788 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.870 -7.955 -2.266 1.00 0.00 H new ATOM 682 N GLY A 43 -6.259 -3.206 -1.814 1.00 0.00 N ATOM 683 CA GLY A 43 -6.167 -1.759 -1.867 1.00 0.00 C ATOM 684 C GLY A 43 -6.186 -1.126 -0.490 1.00 0.00 C ATOM 685 O GLY A 43 -5.371 -0.253 -0.189 1.00 0.00 O ATOM 0 H GLY A 43 -7.093 -3.598 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.249 -1.475 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.996 -1.367 -2.455 1.00 0.00 H new ATOM 689 N ASP A 44 -7.118 -1.565 0.348 1.00 0.00 N ATOM 690 CA ASP A 44 -7.241 -1.035 1.701 1.00 0.00 C ATOM 691 C ASP A 44 -5.968 -1.290 2.502 1.00 0.00 C ATOM 692 O ASP A 44 -5.530 -0.440 3.278 1.00 0.00 O ATOM 693 CB ASP A 44 -8.440 -1.665 2.412 1.00 0.00 C ATOM 694 CG ASP A 44 -9.723 -0.891 2.179 1.00 0.00 C ATOM 695 OD1 ASP A 44 -9.787 0.288 2.587 1.00 0.00 O ATOM 696 OD2 ASP A 44 -10.662 -1.464 1.588 1.00 0.00 O ATOM 0 H ASP A 44 -7.800 -2.287 0.114 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.395 0.042 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.569 -2.690 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.239 -1.716 3.482 1.00 0.00 H new ATOM 701 N ASP A 45 -5.379 -2.465 2.308 1.00 0.00 N ATOM 702 CA ASP A 45 -4.156 -2.832 3.012 1.00 0.00 C ATOM 703 C ASP A 45 -3.016 -1.883 2.653 1.00 0.00 C ATOM 704 O ASP A 45 -2.211 -1.513 3.508 1.00 0.00 O ATOM 705 CB ASP A 45 -3.762 -4.271 2.678 1.00 0.00 C ATOM 706 CG ASP A 45 -4.408 -5.279 3.608 1.00 0.00 C ATOM 707 OD1 ASP A 45 -5.618 -5.542 3.449 1.00 0.00 O ATOM 708 OD2 ASP A 45 -3.703 -5.805 4.495 1.00 0.00 O ATOM 0 H ASP A 45 -5.729 -3.179 1.669 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.346 -2.755 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.048 -4.494 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.678 -4.371 2.736 1.00 0.00 H new ATOM 713 N ILE A 46 -2.954 -1.495 1.384 1.00 0.00 N ATOM 714 CA ILE A 46 -1.913 -0.589 0.913 1.00 0.00 C ATOM 715 C ILE A 46 -2.052 0.788 1.552 1.00 0.00 C ATOM 716 O ILE A 46 -1.071 1.374 2.009 1.00 0.00 O ATOM 717 CB ILE A 46 -1.950 -0.438 -0.619 1.00 0.00 C ATOM 718 CG1 ILE A 46 -1.621 -1.772 -1.293 1.00 0.00 C ATOM 719 CG2 ILE A 46 -0.978 0.643 -1.068 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.006 -1.822 -2.755 1.00 0.00 C ATOM 0 H ILE A 46 -3.612 -1.793 0.664 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.958 -1.027 1.204 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.956 -0.141 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.552 -1.962 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.135 -2.574 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.015 0.738 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.254 1.593 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.033 0.373 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.744 -2.796 -3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.080 -1.663 -2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.472 -1.042 -3.299 1.00 0.00 H new ATOM 732 N ALA A 47 -3.279 1.300 1.582 1.00 0.00 N ATOM 733 CA ALA A 47 -3.547 2.607 2.168 1.00 0.00 C ATOM 734 C ALA A 47 -3.129 2.647 3.634 1.00 0.00 C ATOM 735 O ALA A 47 -2.570 3.638 4.104 1.00 0.00 O ATOM 736 CB ALA A 47 -5.022 2.955 2.028 1.00 0.00 C ATOM 0 H ALA A 47 -4.102 0.829 1.207 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.957 3.348 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.208 3.934 2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.292 2.976 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.623 2.205 2.541 1.00 0.00 H new ATOM 742 N LYS A 48 -3.403 1.564 4.353 1.00 0.00 N ATOM 743 CA LYS A 48 -3.056 1.474 5.766 1.00 0.00 C ATOM 744 C LYS A 48 -1.546 1.576 5.962 1.00 0.00 C ATOM 745 O LYS A 48 -1.069 2.363 6.779 1.00 0.00 O ATOM 746 CB LYS A 48 -3.570 0.159 6.356 1.00 0.00 C ATOM 747 CG LYS A 48 -3.499 0.104 7.873 1.00 0.00 C ATOM 748 CD LYS A 48 -4.380 -1.000 8.432 1.00 0.00 C ATOM 749 CE LYS A 48 -3.627 -2.318 8.531 1.00 0.00 C ATOM 750 NZ LYS A 48 -3.619 -3.051 7.234 1.00 0.00 N ATOM 0 H LYS A 48 -3.865 0.735 3.979 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.530 2.307 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.603 0.010 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.990 -0.666 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.467 -0.060 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.809 1.063 8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.743 -0.712 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.255 -1.127 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.601 -2.127 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.086 -2.942 9.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.496 -4.068 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.520 -2.892 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.835 -2.705 6.645 1.00 0.00 H new ATOM 764 N ALA A 49 -0.801 0.776 5.207 1.00 0.00 N ATOM 765 CA ALA A 49 0.654 0.780 5.296 1.00 0.00 C ATOM 766 C ALA A 49 1.230 2.110 4.823 1.00 0.00 C ATOM 767 O ALA A 49 2.162 2.645 5.425 1.00 0.00 O ATOM 768 CB ALA A 49 1.235 -0.368 4.483 1.00 0.00 C ATOM 0 H ALA A 49 -1.181 0.117 4.527 1.00 0.00 H new ATOM 0 HA ALA A 49 0.930 0.647 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.322 -0.353 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.857 -1.315 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.942 -0.259 3.439 1.00 0.00 H new ATOM 774 N THR A 50 0.671 2.640 3.740 1.00 0.00 N ATOM 775 CA THR A 50 1.130 3.907 3.185 1.00 0.00 C ATOM 776 C THR A 50 0.317 5.074 3.733 1.00 0.00 C ATOM 777 O THR A 50 0.248 6.138 3.119 1.00 0.00 O ATOM 778 CB THR A 50 1.041 3.912 1.647 1.00 0.00 C ATOM 779 OG1 THR A 50 -0.283 3.560 1.231 1.00 0.00 O ATOM 780 CG2 THR A 50 2.043 2.938 1.044 1.00 0.00 C ATOM 0 H THR A 50 -0.101 2.211 3.229 1.00 0.00 H new ATOM 0 HA THR A 50 2.172 4.023 3.482 1.00 0.00 H new ATOM 0 HB THR A 50 1.277 4.916 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.415 2.595 1.343 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.962 2.959 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.052 3.226 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.833 1.931 1.404 1.00 0.00 H new ATOM 788 N GLY A 51 -0.298 4.868 4.893 1.00 0.00 N ATOM 789 CA GLY A 51 -1.099 5.913 5.505 1.00 0.00 C ATOM 790 C GLY A 51 -0.349 7.225 5.619 1.00 0.00 C ATOM 791 O GLY A 51 -0.932 8.297 5.455 1.00 0.00 O ATOM 0 H GLY A 51 -0.256 3.996 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.004 6.065 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.415 5.591 6.497 1.00 0.00 H new ATOM 795 N ASP A 52 0.946 7.142 5.902 1.00 0.00 N ATOM 796 CA ASP A 52 1.777 8.333 6.039 1.00 0.00 C ATOM 797 C ASP A 52 1.996 9.001 4.685 1.00 0.00 C ATOM 798 O ASP A 52 2.259 10.201 4.610 1.00 0.00 O ATOM 799 CB ASP A 52 3.123 7.972 6.668 1.00 0.00 C ATOM 800 CG ASP A 52 4.230 8.921 6.251 1.00 0.00 C ATOM 801 OD1 ASP A 52 4.147 10.118 6.597 1.00 0.00 O ATOM 802 OD2 ASP A 52 5.179 8.466 5.580 1.00 0.00 O ATOM 0 H ASP A 52 1.444 6.262 6.041 1.00 0.00 H new ATOM 0 HA ASP A 52 1.258 9.036 6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.028 7.984 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.393 6.955 6.383 1.00 0.00 H new ATOM 807 N TRP A 53 1.888 8.215 3.620 1.00 0.00 N ATOM 808 CA TRP A 53 2.076 8.731 2.268 1.00 0.00 C ATOM 809 C TRP A 53 0.762 9.252 1.697 1.00 0.00 C ATOM 810 O TRP A 53 0.492 9.109 0.504 1.00 0.00 O ATOM 811 CB TRP A 53 2.645 7.640 1.359 1.00 0.00 C ATOM 812 CG TRP A 53 4.101 7.373 1.592 1.00 0.00 C ATOM 813 CD1 TRP A 53 5.142 7.756 0.795 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.677 6.663 2.694 1.00 0.00 C ATOM 815 NE1 TRP A 53 6.331 7.327 1.335 1.00 0.00 N ATOM 816 CE2 TRP A 53 6.072 6.654 2.501 1.00 0.00 C ATOM 817 CE3 TRP A 53 4.150 6.035 3.825 1.00 0.00 C ATOM 818 CZ2 TRP A 53 6.944 6.042 3.397 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.016 5.427 4.714 1.00 0.00 C ATOM 820 CH2 TRP A 53 6.400 5.435 4.497 1.00 0.00 C ATOM 0 H TRP A 53 1.672 7.219 3.666 1.00 0.00 H new ATOM 0 HA TRP A 53 2.783 9.559 2.316 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.084 6.718 1.515 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.498 7.931 0.319 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.045 8.314 -0.125 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.255 7.484 0.934 1.00 0.00 H new ATOM 0 HE3 TRP A 53 3.085 6.025 4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.011 6.046 3.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.619 4.937 5.591 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.051 4.953 5.212 1.00 0.00 H new ATOM 831 N LYS A 54 -0.052 9.857 2.554 1.00 0.00 N ATOM 832 CA LYS A 54 -1.338 10.402 2.135 1.00 0.00 C ATOM 833 C LYS A 54 -1.148 11.656 1.288 1.00 0.00 C ATOM 834 O LYS A 54 -1.183 12.774 1.801 1.00 0.00 O ATOM 835 CB LYS A 54 -2.202 10.724 3.357 1.00 0.00 C ATOM 836 CG LYS A 54 -3.694 10.667 3.079 1.00 0.00 C ATOM 837 CD LYS A 54 -4.494 11.311 4.199 1.00 0.00 C ATOM 838 CE LYS A 54 -4.411 12.829 4.142 1.00 0.00 C ATOM 839 NZ LYS A 54 -5.094 13.465 5.302 1.00 0.00 N ATOM 0 H LYS A 54 0.156 9.983 3.545 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.843 9.649 1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.963 10.022 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.946 11.719 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.910 11.174 2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.004 9.629 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.536 11.000 4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.121 10.961 5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.365 13.135 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.863 13.183 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.015 14.499 5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.098 13.193 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.646 13.147 6.185 1.00 0.00 H new ATOM 853 N GLY A 55 -0.947 11.463 -0.012 1.00 0.00 N ATOM 854 CA GLY A 55 -0.756 12.588 -0.908 1.00 0.00 C ATOM 855 C GLY A 55 0.614 12.584 -1.559 1.00 0.00 C ATOM 856 O GLY A 55 0.909 13.428 -2.407 1.00 0.00 O ATOM 0 H GLY A 55 -0.913 10.547 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.523 12.566 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.889 13.517 -0.354 1.00 0.00 H new ATOM 860 N LEU A 56 1.453 11.634 -1.162 1.00 0.00 N ATOM 861 CA LEU A 56 2.800 11.525 -1.711 1.00 0.00 C ATOM 862 C LEU A 56 2.872 10.422 -2.762 1.00 0.00 C ATOM 863 O LEU A 56 2.309 9.342 -2.583 1.00 0.00 O ATOM 864 CB LEU A 56 3.807 11.246 -0.594 1.00 0.00 C ATOM 865 CG LEU A 56 4.054 12.392 0.388 1.00 0.00 C ATOM 866 CD1 LEU A 56 3.024 12.368 1.507 1.00 0.00 C ATOM 867 CD2 LEU A 56 5.464 12.312 0.957 1.00 0.00 C ATOM 0 H LEU A 56 1.225 10.928 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 56 3.049 12.473 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.463 10.379 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.759 10.973 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 56 3.953 13.334 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.216 13.191 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.025 12.474 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.092 11.422 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.622 13.135 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.592 11.364 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.188 12.379 0.145 1.00 0.00 H new ATOM 879 N ARG A 57 3.569 10.701 -3.859 1.00 0.00 N ATOM 880 CA ARG A 57 3.715 9.733 -4.938 1.00 0.00 C ATOM 881 C ARG A 57 4.874 8.779 -4.660 1.00 0.00 C ATOM 882 O ARG A 57 6.019 9.206 -4.507 1.00 0.00 O ATOM 883 CB ARG A 57 3.940 10.451 -6.270 1.00 0.00 C ATOM 884 CG ARG A 57 3.879 9.530 -7.477 1.00 0.00 C ATOM 885 CD ARG A 57 2.446 9.303 -7.933 1.00 0.00 C ATOM 886 NE ARG A 57 1.773 10.555 -8.268 1.00 0.00 N ATOM 887 CZ ARG A 57 1.943 11.194 -9.420 1.00 0.00 C ATOM 888 NH1 ARG A 57 2.759 10.701 -10.342 1.00 0.00 N ATOM 889 NH2 ARG A 57 1.295 12.329 -9.652 1.00 0.00 N ATOM 0 H ARG A 57 4.041 11.590 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 57 2.795 9.152 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.189 11.233 -6.382 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.912 10.943 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.458 9.960 -8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.339 8.573 -7.230 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.442 8.646 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.891 8.793 -7.145 1.00 0.00 H new ATOM 0 HE ARG A 57 1.138 10.961 -7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.258 9.829 -10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.887 11.194 -11.226 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.666 12.711 -8.945 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.426 12.819 -10.537 1.00 0.00 H new ATOM 903 N ILE A 58 4.568 7.488 -4.596 1.00 0.00 N ATOM 904 CA ILE A 58 5.584 6.475 -4.337 1.00 0.00 C ATOM 905 C ILE A 58 5.272 5.181 -5.082 1.00 0.00 C ATOM 906 O ILE A 58 4.130 4.935 -5.471 1.00 0.00 O ATOM 907 CB ILE A 58 5.705 6.171 -2.832 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.317 6.010 -2.209 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.483 7.275 -2.131 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.781 4.598 -2.284 1.00 0.00 C ATOM 0 H ILE A 58 3.625 7.119 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 58 6.531 6.879 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 58 6.249 5.234 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.358 6.319 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.621 6.681 -2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.561 7.047 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.482 7.345 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.964 8.225 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.794 4.559 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.707 4.292 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.455 3.924 -1.755 1.00 0.00 H new ATOM 922 N THR A 59 6.296 4.355 -5.276 1.00 0.00 N ATOM 923 CA THR A 59 6.132 3.086 -5.973 1.00 0.00 C ATOM 924 C THR A 59 5.959 1.936 -4.988 1.00 0.00 C ATOM 925 O THR A 59 6.813 1.704 -4.133 1.00 0.00 O ATOM 926 CB THR A 59 7.336 2.787 -6.887 1.00 0.00 C ATOM 927 OG1 THR A 59 7.524 3.860 -7.817 1.00 0.00 O ATOM 928 CG2 THR A 59 7.131 1.484 -7.644 1.00 0.00 C ATOM 0 H THR A 59 7.247 4.543 -4.960 1.00 0.00 H new ATOM 0 HA THR A 59 5.234 3.175 -6.585 1.00 0.00 H new ATOM 0 HB THR A 59 8.223 2.689 -6.261 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.292 3.663 -8.393 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.994 1.294 -8.282 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.018 0.665 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.234 1.558 -8.259 1.00 0.00 H new ATOM 936 N VAL A 60 4.848 1.217 -5.114 1.00 0.00 N ATOM 937 CA VAL A 60 4.563 0.089 -4.236 1.00 0.00 C ATOM 938 C VAL A 60 4.637 -1.231 -4.995 1.00 0.00 C ATOM 939 O VAL A 60 4.039 -1.382 -6.060 1.00 0.00 O ATOM 940 CB VAL A 60 3.172 0.219 -3.588 1.00 0.00 C ATOM 941 CG1 VAL A 60 2.882 -0.981 -2.699 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.072 1.515 -2.797 1.00 0.00 C ATOM 0 H VAL A 60 4.130 1.396 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 60 5.322 0.098 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 60 2.423 0.244 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.895 -0.871 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.909 -1.892 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.634 -1.041 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.083 1.591 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.830 1.522 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.232 2.362 -3.464 1.00 0.00 H new ATOM 952 N LYS A 61 5.374 -2.187 -4.439 1.00 0.00 N ATOM 953 CA LYS A 61 5.526 -3.496 -5.061 1.00 0.00 C ATOM 954 C LYS A 61 4.698 -4.546 -4.327 1.00 0.00 C ATOM 955 O LYS A 61 4.733 -4.633 -3.099 1.00 0.00 O ATOM 956 CB LYS A 61 6.999 -3.911 -5.073 1.00 0.00 C ATOM 957 CG LYS A 61 7.437 -4.638 -3.813 1.00 0.00 C ATOM 958 CD LYS A 61 8.926 -4.939 -3.832 1.00 0.00 C ATOM 959 CE LYS A 61 9.266 -6.122 -2.939 1.00 0.00 C ATOM 960 NZ LYS A 61 10.700 -6.119 -2.537 1.00 0.00 N ATOM 0 H LYS A 61 5.876 -2.079 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 61 5.166 -3.426 -6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.180 -4.554 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.617 -3.023 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.199 -4.030 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.878 -5.569 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.243 -5.150 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.480 -4.061 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.639 -6.096 -2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.038 -7.050 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.990 -7.084 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.282 -5.782 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.830 -5.489 -1.720 1.00 0.00 H new ATOM 974 N LEU A 62 3.954 -5.343 -5.087 1.00 0.00 N ATOM 975 CA LEU A 62 3.117 -6.389 -4.509 1.00 0.00 C ATOM 976 C LEU A 62 3.663 -7.772 -4.848 1.00 0.00 C ATOM 977 O LEU A 62 4.020 -8.048 -5.994 1.00 0.00 O ATOM 978 CB LEU A 62 1.680 -6.258 -5.015 1.00 0.00 C ATOM 979 CG LEU A 62 0.991 -4.921 -4.739 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.263 -4.781 -5.589 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.653 -4.789 -3.261 1.00 0.00 C ATOM 0 H LEU A 62 3.913 -5.285 -6.105 1.00 0.00 H new ATOM 0 HA LEU A 62 3.126 -6.270 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.678 -6.430 -6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.084 -7.051 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 62 1.678 -4.119 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.740 -3.824 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.006 -4.829 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.954 -5.590 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.163 -3.831 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.015 -5.598 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.569 -4.843 -2.672 1.00 0.00 H new ATOM 993 N THR A 63 3.724 -8.641 -3.844 1.00 0.00 N ATOM 994 CA THR A 63 4.226 -9.996 -4.035 1.00 0.00 C ATOM 995 C THR A 63 3.208 -11.030 -3.567 1.00 0.00 C ATOM 996 O THR A 63 2.904 -11.121 -2.377 1.00 0.00 O ATOM 997 CB THR A 63 5.550 -10.218 -3.280 1.00 0.00 C ATOM 998 OG1 THR A 63 6.443 -9.126 -3.527 1.00 0.00 O ATOM 999 CG2 THR A 63 6.205 -11.523 -3.706 1.00 0.00 C ATOM 0 H THR A 63 3.432 -8.430 -2.890 1.00 0.00 H new ATOM 0 HA THR A 63 4.402 -10.120 -5.104 1.00 0.00 H new ATOM 0 HB THR A 63 5.330 -10.273 -2.214 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.282 -9.273 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.138 -11.657 -3.159 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.534 -12.354 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.412 -11.494 -4.776 1.00 0.00 H new ATOM 1007 N ILE A 64 2.685 -11.808 -4.510 1.00 0.00 N ATOM 1008 CA ILE A 64 1.702 -12.836 -4.192 1.00 0.00 C ATOM 1009 C ILE A 64 2.318 -14.229 -4.276 1.00 0.00 C ATOM 1010 O ILE A 64 2.819 -14.634 -5.325 1.00 0.00 O ATOM 1011 CB ILE A 64 0.488 -12.766 -5.137 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.405 -11.580 -4.768 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.300 -14.066 -5.085 1.00 0.00 C ATOM 1014 CD1 ILE A 64 0.362 -10.384 -4.251 1.00 0.00 C ATOM 0 H ILE A 64 2.926 -11.746 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 64 1.368 -12.649 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 64 0.847 -12.623 -6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.979 -11.282 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.122 -11.897 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.155 -14.001 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.341 -14.893 -5.392 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.652 -14.238 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.335 -9.582 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.915 -10.666 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.059 -10.041 -5.015 1.00 0.00 H new ATOM 1026 N GLN A 65 2.275 -14.957 -3.165 1.00 0.00 N ATOM 1027 CA GLN A 65 2.828 -16.305 -3.114 1.00 0.00 C ATOM 1028 C GLN A 65 2.022 -17.188 -2.167 1.00 0.00 C ATOM 1029 O GLN A 65 1.872 -16.874 -0.987 1.00 0.00 O ATOM 1030 CB GLN A 65 4.291 -16.263 -2.671 1.00 0.00 C ATOM 1031 CG GLN A 65 4.961 -17.627 -2.652 1.00 0.00 C ATOM 1032 CD GLN A 65 6.302 -17.609 -1.945 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.503 -18.310 -0.953 1.00 0.00 O ATOM 1034 NE2 GLN A 65 7.229 -16.806 -2.454 1.00 0.00 N ATOM 0 H GLN A 65 1.863 -14.636 -2.289 1.00 0.00 H new ATOM 0 HA GLN A 65 2.772 -16.732 -4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.845 -15.605 -3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.348 -15.826 -1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.304 -18.343 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.099 -17.974 -3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.019 -16.242 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.151 -16.753 -2.021 1.00 0.00 H new ATOM 1043 N ASN A 66 1.505 -18.294 -2.693 1.00 0.00 N ATOM 1044 CA ASN A 66 0.714 -19.223 -1.893 1.00 0.00 C ATOM 1045 C ASN A 66 -0.643 -18.620 -1.545 1.00 0.00 C ATOM 1046 O ASN A 66 -1.152 -18.808 -0.439 1.00 0.00 O ATOM 1047 CB ASN A 66 1.464 -19.594 -0.613 1.00 0.00 C ATOM 1048 CG ASN A 66 1.096 -20.975 -0.106 1.00 0.00 C ATOM 1049 OD1 ASN A 66 0.023 -21.172 0.466 1.00 0.00 O ATOM 1050 ND2 ASN A 66 1.985 -21.938 -0.314 1.00 0.00 N ATOM 0 H ASN A 66 1.619 -18.569 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 66 0.551 -20.125 -2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.537 -19.553 -0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.246 -18.856 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.792 -22.888 0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.861 -21.729 -0.793 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.225 -17.896 -2.495 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.523 -17.265 -2.288 1.00 0.00 C ATOM 1059 C ARG A 67 -2.456 -16.240 -1.159 1.00 0.00 C ATOM 1060 O ARG A 67 -3.349 -16.174 -0.315 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.582 -18.321 -1.970 1.00 0.00 C ATOM 1062 CG ARG A 67 -3.922 -19.217 -3.150 1.00 0.00 C ATOM 1063 CD ARG A 67 -4.431 -20.574 -2.690 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.328 -21.183 -3.669 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.508 -20.672 -4.002 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -6.931 -19.549 -3.437 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -7.268 -21.284 -4.901 1.00 0.00 N ATOM 0 H ARG A 67 -0.818 -17.732 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.799 -16.749 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.230 -18.940 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.490 -17.822 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.678 -18.734 -3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.038 -19.351 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.585 -21.237 -2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.954 -20.462 -1.740 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.032 -22.048 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.350 -19.076 -2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.837 -19.159 -3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.946 -22.148 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.174 -20.890 -5.156 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.391 -15.445 -1.151 1.00 0.00 N ATOM 1082 CA GLN A 68 -1.207 -14.425 -0.125 1.00 0.00 C ATOM 1083 C GLN A 68 -0.810 -13.091 -0.748 1.00 0.00 C ATOM 1084 O GLN A 68 -0.394 -13.035 -1.905 1.00 0.00 O ATOM 1085 CB GLN A 68 -0.143 -14.869 0.880 1.00 0.00 C ATOM 1086 CG GLN A 68 1.266 -14.438 0.505 1.00 0.00 C ATOM 1087 CD GLN A 68 2.320 -15.024 1.424 1.00 0.00 C ATOM 1088 OE1 GLN A 68 2.075 -16.010 2.119 1.00 0.00 O ATOM 1089 NE2 GLN A 68 3.501 -14.419 1.432 1.00 0.00 N ATOM 0 H GLN A 68 -0.643 -15.487 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.156 -14.294 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.389 -14.462 1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.170 -15.955 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.474 -14.742 -0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.329 -13.350 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.661 -13.604 0.840 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.249 -14.769 2.031 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.942 -12.019 0.026 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.595 -10.686 -0.449 1.00 0.00 C ATOM 1100 C ALA A 69 0.383 -10.002 0.500 1.00 0.00 C ATOM 1101 O ALA A 69 0.252 -10.103 1.719 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.850 -9.842 -0.615 1.00 0.00 C ATOM 0 H ALA A 69 -1.287 -12.048 0.985 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.108 -10.788 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.576 -8.849 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.514 -10.316 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.360 -9.756 0.344 1.00 0.00 H new ATOM 1108 N GLN A 70 1.363 -9.307 -0.068 1.00 0.00 N ATOM 1109 CA GLN A 70 2.364 -8.607 0.728 1.00 0.00 C ATOM 1110 C GLN A 70 2.636 -7.217 0.163 1.00 0.00 C ATOM 1111 O GLN A 70 2.988 -7.071 -1.008 1.00 0.00 O ATOM 1112 CB GLN A 70 3.663 -9.414 0.777 1.00 0.00 C ATOM 1113 CG GLN A 70 4.601 -8.990 1.895 1.00 0.00 C ATOM 1114 CD GLN A 70 5.761 -9.948 2.079 1.00 0.00 C ATOM 1115 OE1 GLN A 70 5.819 -10.691 3.060 1.00 0.00 O ATOM 1116 NE2 GLN A 70 6.694 -9.937 1.134 1.00 0.00 N ATOM 0 H GLN A 70 1.485 -9.214 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 70 1.974 -8.497 1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.421 -10.470 0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.180 -9.313 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.988 -7.994 1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.041 -8.921 2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.606 -9.305 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.498 -10.560 1.204 1.00 0.00 H new ATOM 1125 N ILE A 71 2.471 -6.200 1.001 1.00 0.00 N ATOM 1126 CA ILE A 71 2.700 -4.822 0.584 1.00 0.00 C ATOM 1127 C ILE A 71 3.990 -4.273 1.183 1.00 0.00 C ATOM 1128 O ILE A 71 4.249 -4.433 2.376 1.00 0.00 O ATOM 1129 CB ILE A 71 1.529 -3.909 0.992 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.282 -4.001 2.499 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.272 -4.283 0.220 1.00 0.00 C ATOM 1132 CD1 ILE A 71 0.145 -3.126 2.980 1.00 0.00 C ATOM 0 H ILE A 71 2.180 -6.304 1.973 1.00 0.00 H new ATOM 0 HA ILE A 71 2.782 -4.831 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 71 1.789 -2.879 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.068 -5.037 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.194 -3.720 3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.547 -3.629 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.454 -4.170 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.007 -5.318 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.027 -3.242 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.365 -2.084 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.778 -3.421 2.480 1.00 0.00 H new ATOM 1144 N GLU A 72 4.795 -3.624 0.348 1.00 0.00 N ATOM 1145 CA GLU A 72 6.058 -3.051 0.797 1.00 0.00 C ATOM 1146 C GLU A 72 6.451 -1.856 -0.068 1.00 0.00 C ATOM 1147 O GLU A 72 6.245 -1.859 -1.281 1.00 0.00 O ATOM 1148 CB GLU A 72 7.165 -4.106 0.759 1.00 0.00 C ATOM 1149 CG GLU A 72 8.548 -3.550 1.056 1.00 0.00 C ATOM 1150 CD GLU A 72 9.656 -4.519 0.696 1.00 0.00 C ATOM 1151 OE1 GLU A 72 9.684 -5.628 1.271 1.00 0.00 O ATOM 1152 OE2 GLU A 72 10.496 -4.170 -0.159 1.00 0.00 O ATOM 0 H GLU A 72 4.595 -3.482 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 72 5.927 -2.709 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.934 -4.888 1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.175 -4.575 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.689 -2.621 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.616 -3.303 2.115 1.00 0.00 H new ATOM 1159 N VAL A 73 7.017 -0.834 0.567 1.00 0.00 N ATOM 1160 CA VAL A 73 7.439 0.368 -0.142 1.00 0.00 C ATOM 1161 C VAL A 73 8.897 0.267 -0.575 1.00 0.00 C ATOM 1162 O VAL A 73 9.754 -0.178 0.189 1.00 0.00 O ATOM 1163 CB VAL A 73 7.259 1.626 0.729 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.770 2.858 -0.002 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.800 1.796 1.123 1.00 0.00 C ATOM 0 H VAL A 73 7.194 -0.815 1.571 1.00 0.00 H new ATOM 0 HA VAL A 73 6.806 0.453 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 73 7.845 1.504 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.635 3.737 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.829 2.733 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.213 2.988 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.691 2.689 1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.190 1.897 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.472 0.924 1.689 1.00 0.00 H new ATOM 1175 N VAL A 74 9.173 0.683 -1.807 1.00 0.00 N ATOM 1176 CA VAL A 74 10.528 0.641 -2.343 1.00 0.00 C ATOM 1177 C VAL A 74 11.301 1.904 -1.980 1.00 0.00 C ATOM 1178 O VAL A 74 10.751 3.004 -1.921 1.00 0.00 O ATOM 1179 CB VAL A 74 10.522 0.479 -3.874 1.00 0.00 C ATOM 1180 CG1 VAL A 74 9.798 -0.799 -4.273 1.00 0.00 C ATOM 1181 CG2 VAL A 74 9.884 1.691 -4.536 1.00 0.00 C ATOM 0 H VAL A 74 8.476 1.053 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 74 11.018 -0.224 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 74 11.554 0.407 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.804 -0.897 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.303 -1.657 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.768 -0.760 -3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.888 1.559 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.857 1.797 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.449 2.586 -4.277 1.00 0.00 H new ATOM 1191 N PRO A 75 12.610 1.746 -1.732 1.00 0.00 N ATOM 1192 CA PRO A 75 13.488 2.863 -1.371 1.00 0.00 C ATOM 1193 C PRO A 75 13.725 3.814 -2.539 1.00 0.00 C ATOM 1194 O PRO A 75 14.087 4.974 -2.344 1.00 0.00 O ATOM 1195 CB PRO A 75 14.794 2.172 -0.970 1.00 0.00 C ATOM 1196 CG PRO A 75 14.777 0.875 -1.703 1.00 0.00 C ATOM 1197 CD PRO A 75 13.333 0.464 -1.783 1.00 0.00 C ATOM 0 HA PRO A 75 13.058 3.482 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.661 2.772 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.845 2.017 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.208 0.984 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.368 0.123 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.121 -0.081 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.054 -0.188 -0.955 1.00 0.00 H new