USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 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 Set 1.1: A 65 GLN : amide:sc= -0.851 K(o=-1.4,f=-2.2!) USER MOD Set 1.2: A 66 ASN : amide:sc= -0.567 X(o=-1.4,f=-0.97) USER MOD Set 2.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 63 THR OG1 : rot 65:sc= -3.39! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.0009 (180deg=-0.0904) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= -1.72! (180deg=-5.24!) USER MOD Single : A 50 THR OG1 : rot -82:sc= 2.15 USER MOD Single : A 54 LYS NZ :NH3+ -116:sc= -0.15 (180deg=-1.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 70 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 191 N VAL A 10 8.509 -17.248 -7.760 1.00 0.00 N ATOM 192 CA VAL A 10 7.987 -16.005 -7.204 1.00 0.00 C ATOM 193 C VAL A 10 7.903 -14.919 -8.271 1.00 0.00 C ATOM 194 O VAL A 10 8.780 -14.804 -9.128 1.00 0.00 O ATOM 195 CB VAL A 10 8.862 -15.499 -6.042 1.00 0.00 C ATOM 196 CG1 VAL A 10 8.363 -14.150 -5.546 1.00 0.00 C ATOM 197 CG2 VAL A 10 8.884 -16.517 -4.911 1.00 0.00 C ATOM 0 HA VAL A 10 6.987 -16.221 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 10 9.881 -15.371 -6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.993 -13.808 -4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.403 -13.426 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.335 -14.248 -5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.507 -16.144 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.869 -16.678 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.292 -17.459 -5.277 1.00 0.00 H new ATOM 207 N LYS A 11 6.841 -14.122 -8.214 1.00 0.00 N ATOM 208 CA LYS A 11 6.640 -13.043 -9.174 1.00 0.00 C ATOM 209 C LYS A 11 6.232 -11.755 -8.466 1.00 0.00 C ATOM 210 O LYS A 11 5.399 -11.770 -7.560 1.00 0.00 O ATOM 211 CB LYS A 11 5.573 -13.436 -10.198 1.00 0.00 C ATOM 212 CG LYS A 11 5.488 -12.487 -11.381 1.00 0.00 C ATOM 213 CD LYS A 11 6.553 -12.795 -12.420 1.00 0.00 C ATOM 214 CE LYS A 11 6.193 -12.209 -13.777 1.00 0.00 C ATOM 215 NZ LYS A 11 5.383 -13.156 -14.593 1.00 0.00 N ATOM 0 H LYS A 11 6.105 -14.203 -7.512 1.00 0.00 H new ATOM 0 HA LYS A 11 7.584 -12.869 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.784 -14.441 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.603 -13.474 -9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.501 -12.561 -11.837 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.603 -11.460 -11.034 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.511 -12.392 -12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.675 -13.875 -12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.636 -11.283 -13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.105 -11.954 -14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.158 -12.720 -15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.924 -14.030 -14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.500 -13.380 -14.091 1.00 0.00 H new ATOM 229 N VAL A 12 6.822 -10.641 -8.888 1.00 0.00 N ATOM 230 CA VAL A 12 6.517 -9.344 -8.296 1.00 0.00 C ATOM 231 C VAL A 12 5.970 -8.378 -9.341 1.00 0.00 C ATOM 232 O VAL A 12 6.399 -8.386 -10.495 1.00 0.00 O ATOM 233 CB VAL A 12 7.763 -8.720 -7.640 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.441 -7.340 -7.086 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.301 -9.630 -6.546 1.00 0.00 C ATOM 0 H VAL A 12 7.514 -10.611 -9.637 1.00 0.00 H new ATOM 0 HA VAL A 12 5.759 -9.515 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 12 8.535 -8.608 -8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.333 -6.915 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.106 -6.692 -7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.652 -7.423 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.181 -9.174 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.535 -9.775 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.573 -10.594 -6.976 1.00 0.00 H new ATOM 245 N VAL A 13 5.018 -7.546 -8.929 1.00 0.00 N ATOM 246 CA VAL A 13 4.412 -6.572 -9.830 1.00 0.00 C ATOM 247 C VAL A 13 4.546 -5.157 -9.279 1.00 0.00 C ATOM 248 O VAL A 13 4.257 -4.906 -8.108 1.00 0.00 O ATOM 249 CB VAL A 13 2.922 -6.880 -10.068 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.323 -5.890 -11.055 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.746 -8.309 -10.560 1.00 0.00 C ATOM 0 H VAL A 13 4.650 -7.527 -7.978 1.00 0.00 H new ATOM 0 HA VAL A 13 4.946 -6.642 -10.778 1.00 0.00 H new ATOM 0 HB VAL A 13 2.392 -6.778 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.270 -6.123 -11.211 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.416 -4.879 -10.658 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.854 -5.957 -12.005 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.687 -8.510 -10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.289 -8.441 -11.496 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.136 -9.001 -9.814 1.00 0.00 H new ATOM 261 N TYR A 14 4.984 -4.236 -10.129 1.00 0.00 N ATOM 262 CA TYR A 14 5.158 -2.845 -9.727 1.00 0.00 C ATOM 263 C TYR A 14 4.115 -1.952 -10.392 1.00 0.00 C ATOM 264 O TYR A 14 3.751 -2.158 -11.550 1.00 0.00 O ATOM 265 CB TYR A 14 6.564 -2.361 -10.086 1.00 0.00 C ATOM 266 CG TYR A 14 7.665 -3.132 -9.395 1.00 0.00 C ATOM 267 CD1 TYR A 14 7.989 -4.424 -9.792 1.00 0.00 C ATOM 268 CD2 TYR A 14 8.381 -2.571 -8.345 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.994 -5.133 -9.163 1.00 0.00 C ATOM 270 CE2 TYR A 14 9.388 -3.272 -7.712 1.00 0.00 C ATOM 271 CZ TYR A 14 9.691 -4.553 -8.124 1.00 0.00 C ATOM 272 OH TYR A 14 10.693 -5.255 -7.494 1.00 0.00 O ATOM 0 H TYR A 14 5.225 -4.427 -11.101 1.00 0.00 H new ATOM 0 HA TYR A 14 5.025 -2.786 -8.647 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.701 -2.437 -11.165 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.653 -1.306 -9.827 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.446 -4.881 -10.606 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.146 -1.569 -8.018 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.233 -6.136 -9.483 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.936 -2.820 -6.898 1.00 0.00 H new ATOM 0 HH TYR A 14 11.084 -4.702 -6.785 1.00 0.00 H new ATOM 282 N LEU A 15 3.638 -0.959 -9.650 1.00 0.00 N ATOM 283 CA LEU A 15 2.637 -0.031 -10.165 1.00 0.00 C ATOM 284 C LEU A 15 2.843 1.367 -9.592 1.00 0.00 C ATOM 285 O LEU A 15 3.402 1.528 -8.507 1.00 0.00 O ATOM 286 CB LEU A 15 1.230 -0.530 -9.828 1.00 0.00 C ATOM 287 CG LEU A 15 0.686 -1.651 -10.714 1.00 0.00 C ATOM 288 CD1 LEU A 15 1.233 -2.998 -10.266 1.00 0.00 C ATOM 289 CD2 LEU A 15 -0.836 -1.658 -10.691 1.00 0.00 C ATOM 0 H LEU A 15 3.928 -0.776 -8.690 1.00 0.00 H new ATOM 0 HA LEU A 15 2.749 0.021 -11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.227 -0.877 -8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.544 0.315 -9.883 1.00 0.00 H new ATOM 0 HG LEU A 15 1.014 -1.470 -11.738 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.835 -3.784 -10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.321 -2.990 -10.334 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.935 -3.187 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.206 -2.462 -11.327 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.184 -1.814 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.210 -0.703 -11.060 1.00 0.00 H new ATOM 301 N ARG A 16 2.387 2.376 -10.328 1.00 0.00 N ATOM 302 CA ARG A 16 2.522 3.761 -9.892 1.00 0.00 C ATOM 303 C ARG A 16 1.153 4.385 -9.635 1.00 0.00 C ATOM 304 O ARG A 16 0.281 4.372 -10.504 1.00 0.00 O ATOM 305 CB ARG A 16 3.276 4.577 -10.943 1.00 0.00 C ATOM 306 CG ARG A 16 2.694 4.456 -12.342 1.00 0.00 C ATOM 307 CD ARG A 16 3.353 3.330 -13.124 1.00 0.00 C ATOM 308 NE ARG A 16 2.796 3.198 -14.467 1.00 0.00 N ATOM 309 CZ ARG A 16 3.359 2.475 -15.429 1.00 0.00 C ATOM 310 NH1 ARG A 16 4.488 1.821 -15.196 1.00 0.00 N ATOM 311 NH2 ARG A 16 2.791 2.404 -16.626 1.00 0.00 N ATOM 0 H ARG A 16 1.921 2.260 -11.228 1.00 0.00 H new ATOM 0 HA ARG A 16 3.088 3.769 -8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.273 5.626 -10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.317 4.255 -10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.621 4.276 -12.277 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.827 5.397 -12.875 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.425 3.515 -13.193 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.226 2.391 -12.585 1.00 0.00 H new ATOM 0 HE ARG A 16 1.927 3.688 -14.678 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.927 1.872 -14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.918 1.267 -15.936 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.921 2.905 -16.808 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.224 1.849 -17.364 1.00 0.00 H new ATOM 325 N CYS A 17 0.973 4.929 -8.436 1.00 0.00 N ATOM 326 CA CYS A 17 -0.290 5.556 -8.064 1.00 0.00 C ATOM 327 C CYS A 17 -0.098 6.505 -6.885 1.00 0.00 C ATOM 328 O CYS A 17 0.955 6.517 -6.248 1.00 0.00 O ATOM 329 CB CYS A 17 -1.329 4.491 -7.712 1.00 0.00 C ATOM 330 SG CYS A 17 -0.881 3.462 -6.295 1.00 0.00 S ATOM 0 H CYS A 17 1.685 4.948 -7.706 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.647 6.132 -8.918 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.280 4.981 -7.505 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.483 3.849 -8.579 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.823 2.594 -6.074 1.00 0.00 H new ATOM 336 N THR A 18 -1.124 7.302 -6.601 1.00 0.00 N ATOM 337 CA THR A 18 -1.068 8.257 -5.501 1.00 0.00 C ATOM 338 C THR A 18 -1.200 7.554 -4.155 1.00 0.00 C ATOM 339 O THR A 18 -2.109 6.751 -3.950 1.00 0.00 O ATOM 340 CB THR A 18 -2.176 9.320 -5.623 1.00 0.00 C ATOM 341 OG1 THR A 18 -1.944 10.139 -6.775 1.00 0.00 O ATOM 342 CG2 THR A 18 -2.230 10.191 -4.377 1.00 0.00 C ATOM 0 H THR A 18 -2.003 7.305 -7.118 1.00 0.00 H new ATOM 0 HA THR A 18 -0.096 8.747 -5.558 1.00 0.00 H new ATOM 0 HB THR A 18 -3.132 8.807 -5.729 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.653 10.811 -6.847 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.020 10.934 -4.486 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.436 9.568 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.273 10.696 -4.244 1.00 0.00 H new ATOM 350 N GLY A 19 -0.287 7.862 -3.239 1.00 0.00 N ATOM 351 CA GLY A 19 -0.320 7.250 -1.924 1.00 0.00 C ATOM 352 C GLY A 19 -1.580 7.597 -1.155 1.00 0.00 C ATOM 353 O GLY A 19 -2.181 8.647 -1.376 1.00 0.00 O ATOM 0 H GLY A 19 0.475 8.524 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.248 6.167 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.551 7.574 -1.354 1.00 0.00 H new ATOM 357 N GLY A 20 -1.981 6.710 -0.249 1.00 0.00 N ATOM 358 CA GLY A 20 -3.176 6.946 0.540 1.00 0.00 C ATOM 359 C GLY A 20 -4.313 7.514 -0.285 1.00 0.00 C ATOM 360 O GLY A 20 -5.012 8.427 0.155 1.00 0.00 O ATOM 0 H GLY A 20 -1.500 5.833 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.496 6.010 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.941 7.634 1.352 1.00 0.00 H new ATOM 364 N GLU A 21 -4.498 6.975 -1.486 1.00 0.00 N ATOM 365 CA GLU A 21 -5.557 7.437 -2.376 1.00 0.00 C ATOM 366 C GLU A 21 -6.921 6.950 -1.896 1.00 0.00 C ATOM 367 O GLU A 21 -7.128 5.755 -1.686 1.00 0.00 O ATOM 368 CB GLU A 21 -5.303 6.951 -3.804 1.00 0.00 C ATOM 369 CG GLU A 21 -5.556 5.465 -3.995 1.00 0.00 C ATOM 370 CD GLU A 21 -4.674 4.604 -3.111 1.00 0.00 C ATOM 371 OE1 GLU A 21 -3.544 4.284 -3.534 1.00 0.00 O ATOM 372 OE2 GLU A 21 -5.114 4.252 -1.997 1.00 0.00 O ATOM 0 H GLU A 21 -3.929 6.218 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.555 8.527 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.941 7.511 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.271 7.173 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.602 5.248 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.384 5.202 -5.039 1.00 0.00 H new ATOM 437 N ALA A 27 -9.433 -0.654 -10.736 1.00 0.00 N ATOM 438 CA ALA A 27 -8.305 -1.021 -11.584 1.00 0.00 C ATOM 439 C ALA A 27 -7.658 -2.316 -11.105 1.00 0.00 C ATOM 440 O ALA A 27 -6.961 -2.991 -11.865 1.00 0.00 O ATOM 441 CB ALA A 27 -7.281 0.103 -11.616 1.00 0.00 C ATOM 0 HA ALA A 27 -8.679 -1.184 -12.595 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.445 -0.185 -12.253 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.745 1.006 -12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.919 0.294 -10.606 1.00 0.00 H new ATOM 447 N LEU A 28 -7.890 -2.657 -9.843 1.00 0.00 N ATOM 448 CA LEU A 28 -7.328 -3.872 -9.262 1.00 0.00 C ATOM 449 C LEU A 28 -8.323 -5.025 -9.345 1.00 0.00 C ATOM 450 O LEU A 28 -7.949 -6.190 -9.214 1.00 0.00 O ATOM 451 CB LEU A 28 -6.932 -3.628 -7.805 1.00 0.00 C ATOM 452 CG LEU A 28 -5.951 -2.481 -7.559 1.00 0.00 C ATOM 453 CD1 LEU A 28 -5.891 -2.138 -6.079 1.00 0.00 C ATOM 454 CD2 LEU A 28 -4.568 -2.841 -8.081 1.00 0.00 C ATOM 0 H LEU A 28 -8.464 -2.109 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.439 -4.142 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.838 -3.434 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.494 -4.545 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.305 -1.604 -8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.188 -1.320 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.880 -1.837 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.562 -3.011 -5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.883 -2.013 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.206 -3.732 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.623 -3.036 -9.152 1.00 0.00 H new ATOM 466 N ALA A 29 -9.591 -4.692 -9.563 1.00 0.00 N ATOM 467 CA ALA A 29 -10.639 -5.700 -9.668 1.00 0.00 C ATOM 468 C ALA A 29 -10.258 -6.786 -10.668 1.00 0.00 C ATOM 469 O ALA A 29 -10.204 -7.972 -10.342 1.00 0.00 O ATOM 470 CB ALA A 29 -11.957 -5.052 -10.065 1.00 0.00 C ATOM 0 H ALA A 29 -9.917 -3.732 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.757 -6.168 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.730 -5.816 -10.140 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.243 -4.318 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.843 -4.556 -11.029 1.00 0.00 H new ATOM 476 N PRO A 30 -9.988 -6.374 -11.916 1.00 0.00 N ATOM 477 CA PRO A 30 -9.608 -7.297 -12.989 1.00 0.00 C ATOM 478 C PRO A 30 -8.219 -7.890 -12.779 1.00 0.00 C ATOM 479 O PRO A 30 -7.925 -8.992 -13.244 1.00 0.00 O ATOM 480 CB PRO A 30 -9.630 -6.415 -14.240 1.00 0.00 C ATOM 481 CG PRO A 30 -9.392 -5.034 -13.734 1.00 0.00 C ATOM 482 CD PRO A 30 -10.033 -4.976 -12.374 1.00 0.00 C ATOM 0 HA PRO A 30 -10.277 -8.155 -13.044 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.859 -6.715 -14.950 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.586 -6.487 -14.759 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.325 -4.819 -13.672 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.828 -4.292 -14.403 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.488 -4.315 -11.701 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.056 -4.603 -12.427 1.00 0.00 H new ATOM 490 N LYS A 31 -7.366 -7.152 -12.076 1.00 0.00 N ATOM 491 CA LYS A 31 -6.007 -7.605 -11.802 1.00 0.00 C ATOM 492 C LYS A 31 -6.012 -8.798 -10.853 1.00 0.00 C ATOM 493 O LYS A 31 -5.326 -9.793 -11.088 1.00 0.00 O ATOM 494 CB LYS A 31 -5.179 -6.466 -11.203 1.00 0.00 C ATOM 495 CG LYS A 31 -5.089 -5.242 -12.099 1.00 0.00 C ATOM 496 CD LYS A 31 -3.998 -5.397 -13.145 1.00 0.00 C ATOM 497 CE LYS A 31 -4.128 -4.353 -14.244 1.00 0.00 C ATOM 498 NZ LYS A 31 -5.270 -4.646 -15.155 1.00 0.00 N ATOM 0 H LYS A 31 -7.592 -6.237 -11.686 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.557 -7.916 -12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.615 -6.175 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.172 -6.830 -10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.047 -5.080 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.890 -4.359 -11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.021 -5.307 -12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.050 -6.395 -13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.264 -3.369 -13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.204 -4.316 -14.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.197 -4.052 -16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.246 -5.649 -15.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.165 -4.442 -14.666 1.00 0.00 H new ATOM 512 N ILE A 32 -6.790 -8.692 -9.781 1.00 0.00 N ATOM 513 CA ILE A 32 -6.885 -9.764 -8.798 1.00 0.00 C ATOM 514 C ILE A 32 -7.947 -10.783 -9.196 1.00 0.00 C ATOM 515 O ILE A 32 -7.992 -11.890 -8.662 1.00 0.00 O ATOM 516 CB ILE A 32 -7.216 -9.216 -7.397 1.00 0.00 C ATOM 517 CG1 ILE A 32 -6.317 -8.023 -7.067 1.00 0.00 C ATOM 518 CG2 ILE A 32 -7.061 -10.309 -6.350 1.00 0.00 C ATOM 519 CD1 ILE A 32 -6.672 -7.341 -5.764 1.00 0.00 C ATOM 0 H ILE A 32 -7.363 -7.875 -9.571 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.910 -10.251 -8.768 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.252 -8.879 -7.390 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.282 -8.360 -7.021 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.380 -7.296 -7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.298 -9.906 -5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.739 -11.131 -6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.034 -10.674 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.994 -6.505 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.697 -6.973 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.582 -8.053 -4.944 1.00 0.00 H new ATOM 531 N GLY A 33 -8.801 -10.401 -10.142 1.00 0.00 N ATOM 532 CA GLY A 33 -9.850 -11.293 -10.598 1.00 0.00 C ATOM 533 C GLY A 33 -9.370 -12.722 -10.754 1.00 0.00 C ATOM 534 O GLY A 33 -9.880 -13.644 -10.117 1.00 0.00 O ATOM 0 H GLY A 33 -8.784 -9.490 -10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.678 -11.267 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.236 -10.936 -11.553 1.00 0.00 H new ATOM 538 N PRO A 34 -8.365 -12.922 -11.620 1.00 0.00 N ATOM 539 CA PRO A 34 -7.794 -14.247 -11.878 1.00 0.00 C ATOM 540 C PRO A 34 -7.004 -14.780 -10.688 1.00 0.00 C ATOM 541 O PRO A 34 -6.947 -15.989 -10.459 1.00 0.00 O ATOM 542 CB PRO A 34 -6.866 -14.007 -13.071 1.00 0.00 C ATOM 543 CG PRO A 34 -6.505 -12.564 -12.986 1.00 0.00 C ATOM 544 CD PRO A 34 -7.709 -11.869 -12.413 1.00 0.00 C ATOM 0 HA PRO A 34 -8.566 -14.994 -12.064 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.981 -14.640 -13.017 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.365 -14.235 -14.013 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.631 -12.417 -12.352 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.256 -12.166 -13.969 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.425 -11.018 -11.794 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.364 -11.489 -13.197 1.00 0.00 H new ATOM 552 N LEU A 35 -6.397 -13.872 -9.932 1.00 0.00 N ATOM 553 CA LEU A 35 -5.610 -14.251 -8.764 1.00 0.00 C ATOM 554 C LEU A 35 -6.450 -15.060 -7.781 1.00 0.00 C ATOM 555 O LEU A 35 -6.126 -16.205 -7.468 1.00 0.00 O ATOM 556 CB LEU A 35 -5.054 -13.005 -8.073 1.00 0.00 C ATOM 557 CG LEU A 35 -3.682 -12.527 -8.551 1.00 0.00 C ATOM 558 CD1 LEU A 35 -3.714 -12.219 -10.040 1.00 0.00 C ATOM 559 CD2 LEU A 35 -3.237 -11.305 -7.761 1.00 0.00 C ATOM 0 H LEU A 35 -6.435 -12.868 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.780 -14.872 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.767 -12.191 -8.207 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.995 -13.204 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.961 -13.326 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.730 -11.880 -10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.987 -13.118 -10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.448 -11.437 -10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.259 -10.979 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.959 -10.500 -7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.174 -11.559 -6.703 1.00 0.00 H new ATOM 571 N GLY A 36 -7.532 -14.456 -7.298 1.00 0.00 N ATOM 572 CA GLY A 36 -8.403 -15.136 -6.357 1.00 0.00 C ATOM 573 C GLY A 36 -8.820 -14.243 -5.205 1.00 0.00 C ATOM 574 O GLY A 36 -10.009 -14.108 -4.914 1.00 0.00 O ATOM 0 H GLY A 36 -7.821 -13.508 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.292 -15.489 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.893 -16.016 -5.965 1.00 0.00 H new ATOM 578 N LEU A 37 -7.841 -13.634 -4.547 1.00 0.00 N ATOM 579 CA LEU A 37 -8.112 -12.751 -3.418 1.00 0.00 C ATOM 580 C LEU A 37 -9.088 -11.646 -3.812 1.00 0.00 C ATOM 581 O LEU A 37 -9.598 -11.627 -4.932 1.00 0.00 O ATOM 582 CB LEU A 37 -6.810 -12.136 -2.901 1.00 0.00 C ATOM 583 CG LEU A 37 -5.977 -13.014 -1.967 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.349 -14.166 -2.735 1.00 0.00 C ATOM 585 CD2 LEU A 37 -4.905 -12.187 -1.272 1.00 0.00 C ATOM 0 H LEU A 37 -6.852 -13.735 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.566 -13.346 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.194 -11.866 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.051 -11.211 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.638 -13.429 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.760 -14.780 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.134 -14.774 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.702 -13.771 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.322 -12.829 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.247 -11.742 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.377 -11.397 -0.687 1.00 0.00 H new ATOM 597 N SER A 38 -9.340 -10.728 -2.885 1.00 0.00 N ATOM 598 CA SER A 38 -10.255 -9.621 -3.136 1.00 0.00 C ATOM 599 C SER A 38 -9.509 -8.290 -3.145 1.00 0.00 C ATOM 600 O SER A 38 -8.563 -8.074 -2.388 1.00 0.00 O ATOM 601 CB SER A 38 -11.357 -9.593 -2.075 1.00 0.00 C ATOM 602 OG SER A 38 -12.327 -10.597 -2.319 1.00 0.00 O ATOM 0 H SER A 38 -8.924 -10.729 -1.954 1.00 0.00 H new ATOM 0 HA SER A 38 -10.707 -9.771 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.919 -9.739 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.836 -8.614 -2.070 1.00 0.00 H new ATOM 0 HG SER A 38 -13.019 -10.559 -1.626 1.00 0.00 H new ATOM 608 N PRO A 39 -9.944 -7.375 -4.024 1.00 0.00 N ATOM 609 CA PRO A 39 -9.332 -6.049 -4.155 1.00 0.00 C ATOM 610 C PRO A 39 -9.608 -5.162 -2.946 1.00 0.00 C ATOM 611 O PRO A 39 -8.868 -4.216 -2.675 1.00 0.00 O ATOM 612 CB PRO A 39 -10.000 -5.472 -5.406 1.00 0.00 C ATOM 613 CG PRO A 39 -11.307 -6.182 -5.499 1.00 0.00 C ATOM 614 CD PRO A 39 -11.067 -7.564 -4.958 1.00 0.00 C ATOM 0 HA PRO A 39 -8.246 -6.106 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.140 -4.395 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.392 -5.644 -6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.074 -5.665 -4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.657 -6.222 -6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.949 -7.956 -4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.816 -8.268 -5.751 1.00 0.00 H new ATOM 622 N LYS A 40 -10.678 -5.473 -2.222 1.00 0.00 N ATOM 623 CA LYS A 40 -11.052 -4.705 -1.040 1.00 0.00 C ATOM 624 C LYS A 40 -10.028 -4.891 0.076 1.00 0.00 C ATOM 625 O LYS A 40 -9.497 -3.920 0.614 1.00 0.00 O ATOM 626 CB LYS A 40 -12.439 -5.127 -0.550 1.00 0.00 C ATOM 627 CG LYS A 40 -13.577 -4.539 -1.365 1.00 0.00 C ATOM 628 CD LYS A 40 -13.872 -5.378 -2.597 1.00 0.00 C ATOM 629 CE LYS A 40 -14.614 -6.656 -2.237 1.00 0.00 C ATOM 630 NZ LYS A 40 -15.410 -7.178 -3.382 1.00 0.00 N ATOM 0 H LYS A 40 -11.302 -6.252 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.076 -3.651 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.509 -6.214 -0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.555 -4.825 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.472 -4.472 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.322 -3.523 -1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.468 -4.796 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.938 -5.628 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.898 -7.413 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.276 -6.466 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.900 -8.049 -3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.110 -6.466 -3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.776 -7.384 -4.180 1.00 0.00 H new ATOM 644 N LYS A 41 -9.755 -6.146 0.419 1.00 0.00 N ATOM 645 CA LYS A 41 -8.793 -6.460 1.468 1.00 0.00 C ATOM 646 C LYS A 41 -7.412 -5.913 1.122 1.00 0.00 C ATOM 647 O LYS A 41 -6.754 -5.288 1.955 1.00 0.00 O ATOM 648 CB LYS A 41 -8.715 -7.974 1.680 1.00 0.00 C ATOM 649 CG LYS A 41 -8.197 -8.371 3.052 1.00 0.00 C ATOM 650 CD LYS A 41 -7.947 -9.867 3.142 1.00 0.00 C ATOM 651 CE LYS A 41 -7.147 -10.224 4.386 1.00 0.00 C ATOM 652 NZ LYS A 41 -6.545 -11.582 4.287 1.00 0.00 N ATOM 0 H LYS A 41 -10.187 -6.962 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.131 -5.987 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.706 -8.404 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.067 -8.406 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.272 -7.833 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.918 -8.075 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.900 -10.396 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.410 -10.201 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.358 -9.487 4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.796 -10.177 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.008 -11.788 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.299 -12.288 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.906 -11.620 3.467 1.00 0.00 H new ATOM 666 N VAL A 42 -6.978 -6.150 -0.111 1.00 0.00 N ATOM 667 CA VAL A 42 -5.676 -5.678 -0.568 1.00 0.00 C ATOM 668 C VAL A 42 -5.656 -4.159 -0.696 1.00 0.00 C ATOM 669 O VAL A 42 -4.685 -3.506 -0.316 1.00 0.00 O ATOM 670 CB VAL A 42 -5.297 -6.302 -1.924 1.00 0.00 C ATOM 671 CG1 VAL A 42 -3.929 -5.812 -2.374 1.00 0.00 C ATOM 672 CG2 VAL A 42 -5.327 -7.820 -1.839 1.00 0.00 C ATOM 0 H VAL A 42 -7.509 -6.666 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.947 -5.986 0.181 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.031 -5.988 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.678 -6.264 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.947 -4.727 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.180 -6.094 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.057 -8.244 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.616 -8.156 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.330 -8.149 -1.566 1.00 0.00 H new ATOM 682 N GLY A 43 -6.737 -3.602 -1.234 1.00 0.00 N ATOM 683 CA GLY A 43 -6.824 -2.163 -1.403 1.00 0.00 C ATOM 684 C GLY A 43 -6.795 -1.421 -0.081 1.00 0.00 C ATOM 685 O GLY A 43 -6.164 -0.371 0.036 1.00 0.00 O ATOM 0 H GLY A 43 -7.554 -4.121 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.996 -1.823 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.744 -1.918 -1.934 1.00 0.00 H new ATOM 689 N ASP A 44 -7.482 -1.967 0.916 1.00 0.00 N ATOM 690 CA ASP A 44 -7.534 -1.350 2.236 1.00 0.00 C ATOM 691 C ASP A 44 -6.154 -1.341 2.886 1.00 0.00 C ATOM 692 O ASP A 44 -5.735 -0.337 3.462 1.00 0.00 O ATOM 693 CB ASP A 44 -8.528 -2.092 3.131 1.00 0.00 C ATOM 694 CG ASP A 44 -8.858 -1.321 4.394 1.00 0.00 C ATOM 695 OD1 ASP A 44 -9.339 -0.174 4.279 1.00 0.00 O ATOM 696 OD2 ASP A 44 -8.635 -1.863 5.496 1.00 0.00 O ATOM 0 H ASP A 44 -8.011 -2.836 0.835 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.866 -0.319 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.445 -2.279 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.115 -3.064 3.400 1.00 0.00 H new ATOM 701 N ASP A 45 -5.453 -2.466 2.791 1.00 0.00 N ATOM 702 CA ASP A 45 -4.120 -2.588 3.370 1.00 0.00 C ATOM 703 C ASP A 45 -3.185 -1.520 2.810 1.00 0.00 C ATOM 704 O ASP A 45 -2.438 -0.885 3.554 1.00 0.00 O ATOM 705 CB ASP A 45 -3.548 -3.979 3.096 1.00 0.00 C ATOM 706 CG ASP A 45 -2.585 -4.432 4.176 1.00 0.00 C ATOM 707 OD1 ASP A 45 -2.926 -4.294 5.370 1.00 0.00 O ATOM 708 OD2 ASP A 45 -1.490 -4.922 3.828 1.00 0.00 O ATOM 0 H ASP A 45 -5.786 -3.306 2.318 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.203 -2.444 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.365 -4.696 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.035 -3.975 2.134 1.00 0.00 H new ATOM 713 N ILE A 46 -3.232 -1.330 1.496 1.00 0.00 N ATOM 714 CA ILE A 46 -2.390 -0.340 0.837 1.00 0.00 C ATOM 715 C ILE A 46 -2.696 1.066 1.342 1.00 0.00 C ATOM 716 O ILE A 46 -1.788 1.835 1.658 1.00 0.00 O ATOM 717 CB ILE A 46 -2.570 -0.374 -0.692 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.201 -1.754 -1.240 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.725 0.706 -1.350 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.893 -2.092 -2.542 1.00 0.00 C ATOM 0 H ILE A 46 -3.844 -1.849 0.867 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.358 -0.594 1.078 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.617 -0.179 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.122 -1.800 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.453 -2.510 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.864 0.668 -2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.031 1.684 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.674 0.540 -1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.584 -3.084 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.973 -2.078 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.621 -1.357 -3.300 1.00 0.00 H new ATOM 732 N ALA A 47 -3.981 1.395 1.418 1.00 0.00 N ATOM 733 CA ALA A 47 -4.408 2.707 1.888 1.00 0.00 C ATOM 734 C ALA A 47 -3.867 2.992 3.285 1.00 0.00 C ATOM 735 O ALA A 47 -3.338 4.071 3.550 1.00 0.00 O ATOM 736 CB ALA A 47 -5.926 2.803 1.878 1.00 0.00 C ATOM 0 H ALA A 47 -4.745 0.771 1.160 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.003 3.458 1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.231 3.788 2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.293 2.652 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.343 2.038 2.532 1.00 0.00 H new ATOM 742 N LYS A 48 -4.004 2.017 4.178 1.00 0.00 N ATOM 743 CA LYS A 48 -3.529 2.161 5.548 1.00 0.00 C ATOM 744 C LYS A 48 -2.006 2.248 5.590 1.00 0.00 C ATOM 745 O LYS A 48 -1.442 3.094 6.284 1.00 0.00 O ATOM 746 CB LYS A 48 -4.007 0.985 6.403 1.00 0.00 C ATOM 747 CG LYS A 48 -3.419 0.971 7.803 1.00 0.00 C ATOM 748 CD LYS A 48 -4.303 1.721 8.786 1.00 0.00 C ATOM 749 CE LYS A 48 -3.918 3.190 8.874 1.00 0.00 C ATOM 750 NZ LYS A 48 -4.680 4.022 7.901 1.00 0.00 N ATOM 0 H LYS A 48 -4.441 1.118 3.976 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.940 3.086 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.094 1.018 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.749 0.053 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.295 -0.059 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.427 1.422 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.345 1.635 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.223 1.263 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.102 3.554 9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.850 3.298 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.015 4.532 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.289 3.409 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.269 4.707 8.416 1.00 0.00 H new ATOM 764 N ALA A 49 -1.347 1.369 4.843 1.00 0.00 N ATOM 765 CA ALA A 49 0.109 1.349 4.792 1.00 0.00 C ATOM 766 C ALA A 49 0.659 2.676 4.280 1.00 0.00 C ATOM 767 O ALA A 49 1.656 3.186 4.793 1.00 0.00 O ATOM 768 CB ALA A 49 0.591 0.202 3.916 1.00 0.00 C ATOM 0 H ALA A 49 -1.799 0.661 4.264 1.00 0.00 H new ATOM 0 HA ALA A 49 0.481 1.199 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.681 0.199 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.237 -0.743 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.202 0.327 2.906 1.00 0.00 H new ATOM 774 N THR A 50 0.004 3.230 3.265 1.00 0.00 N ATOM 775 CA THR A 50 0.428 4.497 2.683 1.00 0.00 C ATOM 776 C THR A 50 -0.239 5.675 3.383 1.00 0.00 C ATOM 777 O THR A 50 -0.345 6.765 2.822 1.00 0.00 O ATOM 778 CB THR A 50 0.105 4.559 1.178 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.303 4.400 0.972 1.00 0.00 O ATOM 780 CG2 THR A 50 0.860 3.479 0.417 1.00 0.00 C ATOM 0 H THR A 50 -0.822 2.821 2.829 1.00 0.00 H new ATOM 0 HA THR A 50 1.508 4.562 2.819 1.00 0.00 H new ATOM 0 HB THR A 50 0.419 5.533 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.532 3.447 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.616 3.543 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.932 3.621 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.573 2.498 0.797 1.00 0.00 H new ATOM 788 N GLY A 51 -0.688 5.449 4.614 1.00 0.00 N ATOM 789 CA GLY A 51 -1.339 6.503 5.371 1.00 0.00 C ATOM 790 C GLY A 51 -0.351 7.495 5.951 1.00 0.00 C ATOM 791 O GLY A 51 -0.705 8.640 6.235 1.00 0.00 O ATOM 0 H GLY A 51 -0.613 4.556 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.041 7.030 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.921 6.060 6.179 1.00 0.00 H new ATOM 795 N ASP A 52 0.891 7.057 6.129 1.00 0.00 N ATOM 796 CA ASP A 52 1.933 7.916 6.679 1.00 0.00 C ATOM 797 C ASP A 52 2.501 8.838 5.605 1.00 0.00 C ATOM 798 O ASP A 52 3.052 9.896 5.909 1.00 0.00 O ATOM 799 CB ASP A 52 3.053 7.069 7.286 1.00 0.00 C ATOM 800 CG ASP A 52 3.864 7.833 8.315 1.00 0.00 C ATOM 801 OD1 ASP A 52 3.899 9.078 8.236 1.00 0.00 O ATOM 802 OD2 ASP A 52 4.464 7.185 9.198 1.00 0.00 O ATOM 0 H ASP A 52 1.200 6.112 5.900 1.00 0.00 H new ATOM 0 HA ASP A 52 1.488 8.531 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.622 6.183 7.752 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.714 6.722 6.491 1.00 0.00 H new ATOM 807 N TRP A 53 2.364 8.429 4.349 1.00 0.00 N ATOM 808 CA TRP A 53 2.865 9.218 3.229 1.00 0.00 C ATOM 809 C TRP A 53 1.825 9.307 2.117 1.00 0.00 C ATOM 810 O TRP A 53 2.128 9.061 0.950 1.00 0.00 O ATOM 811 CB TRP A 53 4.159 8.609 2.688 1.00 0.00 C ATOM 812 CG TRP A 53 4.090 7.121 2.520 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.564 6.440 1.460 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.562 6.132 3.441 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.681 5.086 1.667 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.290 4.872 2.874 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.190 6.189 4.688 1.00 0.00 C ATOM 818 CZ2 TRP A 53 4.624 3.681 3.514 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.520 5.006 5.322 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.238 3.766 4.734 1.00 0.00 C ATOM 0 H TRP A 53 1.910 7.556 4.080 1.00 0.00 H new ATOM 0 HA TRP A 53 3.070 10.226 3.590 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.393 9.066 1.726 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.978 8.854 3.364 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.121 6.898 0.588 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.365 4.359 1.025 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.413 7.140 5.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.406 2.724 3.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.004 5.038 6.287 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.511 2.859 5.254 1.00 0.00 H new ATOM 831 N LYS A 54 0.599 9.659 2.487 1.00 0.00 N ATOM 832 CA LYS A 54 -0.486 9.781 1.520 1.00 0.00 C ATOM 833 C LYS A 54 -0.344 11.060 0.701 1.00 0.00 C ATOM 834 O LYS A 54 0.039 12.105 1.225 1.00 0.00 O ATOM 835 CB LYS A 54 -1.839 9.770 2.237 1.00 0.00 C ATOM 836 CG LYS A 54 -1.949 10.804 3.343 1.00 0.00 C ATOM 837 CD LYS A 54 -3.324 10.785 3.989 1.00 0.00 C ATOM 838 CE LYS A 54 -4.323 11.618 3.201 1.00 0.00 C ATOM 839 NZ LYS A 54 -4.991 10.821 2.135 1.00 0.00 N ATOM 0 H LYS A 54 0.331 9.865 3.449 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.433 8.929 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.629 9.946 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.009 8.779 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.188 10.612 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.751 11.796 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.680 9.757 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.254 11.167 5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.076 12.020 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.812 12.469 2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.738 11.207 1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.680 9.830 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.022 10.868 2.261 1.00 0.00 H new ATOM 853 N GLY A 55 -0.656 10.970 -0.588 1.00 0.00 N ATOM 854 CA GLY A 55 -0.557 12.127 -1.458 1.00 0.00 C ATOM 855 C GLY A 55 0.747 12.163 -2.230 1.00 0.00 C ATOM 856 O GLY A 55 0.781 12.578 -3.389 1.00 0.00 O ATOM 0 H GLY A 55 -0.976 10.116 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.391 12.122 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.648 13.035 -0.862 1.00 0.00 H new ATOM 860 N LEU A 56 1.825 11.728 -1.586 1.00 0.00 N ATOM 861 CA LEU A 56 3.140 11.714 -2.219 1.00 0.00 C ATOM 862 C LEU A 56 3.265 10.542 -3.188 1.00 0.00 C ATOM 863 O LEU A 56 2.675 9.483 -2.976 1.00 0.00 O ATOM 864 CB LEU A 56 4.238 11.631 -1.157 1.00 0.00 C ATOM 865 CG LEU A 56 4.174 12.677 -0.043 1.00 0.00 C ATOM 866 CD1 LEU A 56 3.256 12.210 1.076 1.00 0.00 C ATOM 867 CD2 LEU A 56 5.568 12.969 0.494 1.00 0.00 C ATOM 0 H LEU A 56 1.815 11.381 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 56 3.256 12.641 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.201 10.641 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.204 11.717 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 56 3.766 13.598 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.223 12.967 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.252 12.052 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.634 11.275 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.504 13.715 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.003 12.053 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.196 13.348 -0.312 1.00 0.00 H new ATOM 879 N ARG A 57 4.038 10.740 -4.251 1.00 0.00 N ATOM 880 CA ARG A 57 4.241 9.700 -5.252 1.00 0.00 C ATOM 881 C ARG A 57 5.252 8.667 -4.765 1.00 0.00 C ATOM 882 O ARG A 57 6.391 9.004 -4.439 1.00 0.00 O ATOM 883 CB ARG A 57 4.719 10.316 -6.568 1.00 0.00 C ATOM 884 CG ARG A 57 4.342 9.500 -7.794 1.00 0.00 C ATOM 885 CD ARG A 57 2.961 9.875 -8.310 1.00 0.00 C ATOM 886 NE ARG A 57 2.771 9.480 -9.703 1.00 0.00 N ATOM 887 CZ ARG A 57 1.686 9.777 -10.409 1.00 0.00 C ATOM 888 NH1 ARG A 57 0.699 10.468 -9.856 1.00 0.00 N ATOM 889 NH2 ARG A 57 1.587 9.382 -11.672 1.00 0.00 N ATOM 0 H ARG A 57 4.534 11.611 -4.441 1.00 0.00 H new ATOM 0 HA ARG A 57 3.287 9.199 -5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.299 11.317 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.803 10.427 -6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.081 9.659 -8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.363 8.439 -7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.201 9.398 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.819 10.952 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 57 3.512 8.947 -10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.772 10.773 -8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.133 10.694 -10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.344 8.850 -12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.754 9.610 -12.214 1.00 0.00 H new ATOM 903 N ILE A 58 4.828 7.408 -4.717 1.00 0.00 N ATOM 904 CA ILE A 58 5.697 6.326 -4.270 1.00 0.00 C ATOM 905 C ILE A 58 5.410 5.039 -5.035 1.00 0.00 C ATOM 906 O ILE A 58 4.303 4.834 -5.536 1.00 0.00 O ATOM 907 CB ILE A 58 5.535 6.061 -2.761 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.074 5.752 -2.430 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.025 7.256 -1.958 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.663 4.337 -2.770 1.00 0.00 C ATOM 0 H ILE A 58 3.888 7.112 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 58 6.721 6.642 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 58 6.140 5.195 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.907 5.925 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.433 6.448 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.904 7.054 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.078 7.434 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.445 8.138 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.615 4.190 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.798 4.166 -3.838 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.279 3.634 -2.209 1.00 0.00 H new ATOM 922 N THR A 59 6.413 4.171 -5.120 1.00 0.00 N ATOM 923 CA THR A 59 6.269 2.903 -5.823 1.00 0.00 C ATOM 924 C THR A 59 5.807 1.800 -4.878 1.00 0.00 C ATOM 925 O THR A 59 6.283 1.697 -3.747 1.00 0.00 O ATOM 926 CB THR A 59 7.592 2.474 -6.486 1.00 0.00 C ATOM 927 OG1 THR A 59 8.042 3.494 -7.385 1.00 0.00 O ATOM 928 CG2 THR A 59 7.419 1.165 -7.241 1.00 0.00 C ATOM 0 H THR A 59 7.335 4.323 -4.710 1.00 0.00 H new ATOM 0 HA THR A 59 5.516 3.055 -6.596 1.00 0.00 H new ATOM 0 HB THR A 59 8.335 2.327 -5.702 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.884 3.215 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.366 0.882 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.104 0.384 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.662 1.289 -8.016 1.00 0.00 H new ATOM 936 N VAL A 60 4.876 0.975 -5.348 1.00 0.00 N ATOM 937 CA VAL A 60 4.351 -0.122 -4.545 1.00 0.00 C ATOM 938 C VAL A 60 4.781 -1.472 -5.110 1.00 0.00 C ATOM 939 O VAL A 60 4.660 -1.723 -6.309 1.00 0.00 O ATOM 940 CB VAL A 60 2.813 -0.077 -4.470 1.00 0.00 C ATOM 941 CG1 VAL A 60 2.287 -1.212 -3.606 1.00 0.00 C ATOM 942 CG2 VAL A 60 2.346 1.270 -3.938 1.00 0.00 C ATOM 0 H VAL A 60 4.470 1.046 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 60 4.760 -0.003 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 60 2.413 -0.204 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.199 -1.164 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.592 -2.167 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.693 -1.120 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.257 1.285 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.754 1.428 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.692 2.063 -4.601 1.00 0.00 H new ATOM 952 N LYS A 61 5.284 -2.339 -4.237 1.00 0.00 N ATOM 953 CA LYS A 61 5.731 -3.665 -4.647 1.00 0.00 C ATOM 954 C LYS A 61 4.831 -4.748 -4.061 1.00 0.00 C ATOM 955 O LYS A 61 4.788 -4.944 -2.846 1.00 0.00 O ATOM 956 CB LYS A 61 7.178 -3.896 -4.205 1.00 0.00 C ATOM 957 CG LYS A 61 7.637 -5.336 -4.354 1.00 0.00 C ATOM 958 CD LYS A 61 7.360 -6.142 -3.096 1.00 0.00 C ATOM 959 CE LYS A 61 8.382 -7.254 -2.911 1.00 0.00 C ATOM 960 NZ LYS A 61 8.335 -7.827 -1.537 1.00 0.00 N ATOM 0 H LYS A 61 5.392 -2.147 -3.241 1.00 0.00 H new ATOM 0 HA LYS A 61 5.675 -3.720 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.835 -3.252 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.283 -3.596 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.128 -5.795 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.704 -5.358 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.377 -5.482 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.359 -6.571 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.197 -8.043 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.381 -6.866 -3.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.046 -8.581 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.537 -7.080 -0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.389 -8.221 -1.357 1.00 0.00 H new ATOM 974 N LEU A 62 4.114 -5.449 -4.932 1.00 0.00 N ATOM 975 CA LEU A 62 3.215 -6.514 -4.501 1.00 0.00 C ATOM 976 C LEU A 62 3.695 -7.871 -5.008 1.00 0.00 C ATOM 977 O LEU A 62 3.989 -8.035 -6.193 1.00 0.00 O ATOM 978 CB LEU A 62 1.795 -6.244 -5.001 1.00 0.00 C ATOM 979 CG LEU A 62 0.997 -5.198 -4.221 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.155 -4.670 -5.062 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.482 -5.784 -2.915 1.00 0.00 C ATOM 0 H LEU A 62 4.137 -5.299 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 62 3.212 -6.534 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.852 -5.926 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.240 -7.182 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 62 1.659 -4.365 -3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.712 -3.927 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.237 -4.211 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.818 -5.493 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.083 -5.025 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.165 -6.635 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.324 -6.112 -2.306 1.00 0.00 H new ATOM 993 N THR A 63 3.771 -8.842 -4.104 1.00 0.00 N ATOM 994 CA THR A 63 4.213 -10.184 -4.459 1.00 0.00 C ATOM 995 C THR A 63 3.182 -11.230 -4.052 1.00 0.00 C ATOM 996 O THR A 63 2.789 -11.307 -2.887 1.00 0.00 O ATOM 997 CB THR A 63 5.562 -10.525 -3.797 1.00 0.00 C ATOM 998 OG1 THR A 63 6.516 -9.493 -4.069 1.00 0.00 O ATOM 999 CG2 THR A 63 6.091 -11.859 -4.302 1.00 0.00 C ATOM 0 H THR A 63 3.532 -8.724 -3.120 1.00 0.00 H new ATOM 0 HA THR A 63 4.333 -10.200 -5.542 1.00 0.00 H new ATOM 0 HB THR A 63 5.405 -10.599 -2.721 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.226 -8.659 -3.644 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.044 -12.078 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.376 -12.647 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.233 -11.809 -5.382 1.00 0.00 H new ATOM 1007 N ILE A 64 2.746 -12.032 -5.017 1.00 0.00 N ATOM 1008 CA ILE A 64 1.761 -13.075 -4.757 1.00 0.00 C ATOM 1009 C ILE A 64 2.422 -14.446 -4.664 1.00 0.00 C ATOM 1010 O ILE A 64 3.078 -14.894 -5.605 1.00 0.00 O ATOM 1011 CB ILE A 64 0.679 -13.112 -5.852 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.266 -11.917 -5.707 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.097 -14.419 -5.785 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -1.073 -11.937 -4.428 1.00 0.00 C ATOM 0 H ILE A 64 3.059 -11.980 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 64 1.293 -12.836 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 64 1.166 -13.050 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.317 -10.997 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.948 -11.898 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.858 -14.431 -6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.586 -15.256 -5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.575 -14.508 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.720 -11.061 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.683 -12.840 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.398 -11.925 -3.572 1.00 0.00 H new ATOM 1026 N GLN A 65 2.244 -15.107 -3.525 1.00 0.00 N ATOM 1027 CA GLN A 65 2.823 -16.428 -3.311 1.00 0.00 C ATOM 1028 C GLN A 65 1.919 -17.281 -2.427 1.00 0.00 C ATOM 1029 O GLN A 65 1.615 -16.912 -1.294 1.00 0.00 O ATOM 1030 CB GLN A 65 4.208 -16.304 -2.674 1.00 0.00 C ATOM 1031 CG GLN A 65 5.143 -17.451 -3.022 1.00 0.00 C ATOM 1032 CD GLN A 65 4.856 -18.702 -2.214 1.00 0.00 C ATOM 1033 OE1 GLN A 65 4.248 -18.639 -1.145 1.00 0.00 O ATOM 1034 NE2 GLN A 65 5.294 -19.848 -2.722 1.00 0.00 N ATOM 0 H GLN A 65 1.704 -14.750 -2.737 1.00 0.00 H new ATOM 0 HA GLN A 65 2.919 -16.916 -4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.663 -15.366 -2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.097 -16.252 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.052 -17.680 -4.084 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.173 -17.140 -2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.794 -19.854 -3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.131 -20.722 -2.223 1.00 0.00 H new ATOM 1043 N ASN A 66 1.493 -18.425 -2.954 1.00 0.00 N ATOM 1044 CA ASN A 66 0.623 -19.331 -2.213 1.00 0.00 C ATOM 1045 C ASN A 66 -0.704 -18.657 -1.877 1.00 0.00 C ATOM 1046 O ASN A 66 -1.287 -18.904 -0.822 1.00 0.00 O ATOM 1047 CB ASN A 66 1.312 -19.796 -0.929 1.00 0.00 C ATOM 1048 CG ASN A 66 2.137 -21.051 -1.137 1.00 0.00 C ATOM 1049 OD1 ASN A 66 3.306 -21.109 -0.754 1.00 0.00 O ATOM 1050 ND2 ASN A 66 1.531 -22.063 -1.747 1.00 0.00 N ATOM 0 H ASN A 66 1.736 -18.746 -3.891 1.00 0.00 H new ATOM 0 HA ASN A 66 0.421 -20.197 -2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.956 -18.999 -0.556 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.559 -19.982 -0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.036 -22.933 -1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.561 -21.970 -2.047 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.175 -17.805 -2.782 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.432 -17.095 -2.582 1.00 0.00 C ATOM 1059 C ARG A 67 -2.317 -16.099 -1.432 1.00 0.00 C ATOM 1060 O ARG A 67 -3.207 -16.005 -0.588 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.563 -18.086 -2.300 1.00 0.00 C ATOM 1062 CG ARG A 67 -3.614 -19.246 -3.281 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.025 -19.795 -3.421 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.217 -20.495 -4.689 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.401 -20.901 -5.132 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.493 -20.679 -4.414 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -6.495 -21.531 -6.296 1.00 0.00 N ATOM 0 H ARG A 67 -0.705 -17.590 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.659 -16.545 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.447 -18.480 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.515 -17.556 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.252 -18.916 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.946 -20.039 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.232 -20.476 -2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.741 -18.977 -3.347 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.397 -20.682 -5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.425 -20.195 -3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.401 -20.992 -4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.657 -21.704 -6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.405 -21.842 -6.635 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.213 -15.358 -1.406 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.981 -14.370 -0.359 1.00 0.00 C ATOM 1083 C GLN A 68 -0.610 -13.018 -0.959 1.00 0.00 C ATOM 1084 O GLN A 68 0.119 -12.946 -1.948 1.00 0.00 O ATOM 1085 CB GLN A 68 0.126 -14.845 0.583 1.00 0.00 C ATOM 1086 CG GLN A 68 -0.262 -16.054 1.418 1.00 0.00 C ATOM 1087 CD GLN A 68 -1.021 -15.676 2.675 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -1.605 -14.595 2.760 1.00 0.00 O ATOM 1089 NE2 GLN A 68 -1.016 -16.566 3.660 1.00 0.00 N ATOM 0 H GLN A 68 -0.466 -15.423 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.905 -14.254 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.011 -15.089 -0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.400 -14.027 1.249 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.875 -16.725 0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.638 -16.605 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.519 -17.449 3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.509 -16.366 4.530 1.00 0.00 H new ATOM 1098 N ALA A 69 -1.117 -11.949 -0.355 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.837 -10.599 -0.828 1.00 0.00 C ATOM 1100 C ALA A 69 0.008 -9.828 0.179 1.00 0.00 C ATOM 1101 O ALA A 69 -0.376 -9.677 1.339 1.00 0.00 O ATOM 1102 CB ALA A 69 -2.137 -9.858 -1.107 1.00 0.00 C ATOM 0 H ALA A 69 -1.724 -11.992 0.463 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.269 -10.676 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.913 -8.851 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.704 -10.392 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.726 -9.799 -0.192 1.00 0.00 H new ATOM 1108 N GLN A 70 1.161 -9.343 -0.271 1.00 0.00 N ATOM 1109 CA GLN A 70 2.061 -8.588 0.593 1.00 0.00 C ATOM 1110 C GLN A 70 2.365 -7.217 -0.002 1.00 0.00 C ATOM 1111 O GLN A 70 2.804 -7.111 -1.147 1.00 0.00 O ATOM 1112 CB GLN A 70 3.362 -9.363 0.811 1.00 0.00 C ATOM 1113 CG GLN A 70 3.314 -10.312 1.997 1.00 0.00 C ATOM 1114 CD GLN A 70 4.678 -10.534 2.622 1.00 0.00 C ATOM 1115 OE1 GLN A 70 5.694 -10.069 2.104 1.00 0.00 O ATOM 1116 NE2 GLN A 70 4.707 -11.248 3.741 1.00 0.00 N ATOM 0 H GLN A 70 1.494 -9.459 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 70 1.566 -8.445 1.554 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.591 -9.932 -0.090 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.177 -8.654 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.634 -9.913 2.750 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.906 -11.270 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.840 -11.614 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.596 -11.431 4.207 1.00 0.00 H new ATOM 1125 N ILE A 71 2.128 -6.172 0.783 1.00 0.00 N ATOM 1126 CA ILE A 71 2.377 -4.808 0.333 1.00 0.00 C ATOM 1127 C ILE A 71 3.678 -4.266 0.916 1.00 0.00 C ATOM 1128 O ILE A 71 3.961 -4.445 2.100 1.00 0.00 O ATOM 1129 CB ILE A 71 1.222 -3.866 0.723 1.00 0.00 C ATOM 1130 CG1 ILE A 71 0.838 -4.075 2.190 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.022 -4.098 -0.182 1.00 0.00 C ATOM 1132 CD1 ILE A 71 -0.082 -3.004 2.731 1.00 0.00 C ATOM 0 H ILE A 71 1.764 -6.243 1.733 1.00 0.00 H new ATOM 0 HA ILE A 71 2.455 -4.844 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 71 1.554 -2.835 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.354 -5.046 2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.745 -4.103 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.786 -3.425 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.304 -3.905 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.313 -5.131 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.313 -3.216 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.407 -2.033 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.005 -2.990 2.151 1.00 0.00 H new ATOM 1144 N GLU A 72 4.465 -3.602 0.075 1.00 0.00 N ATOM 1145 CA GLU A 72 5.736 -3.033 0.508 1.00 0.00 C ATOM 1146 C GLU A 72 6.100 -1.812 -0.332 1.00 0.00 C ATOM 1147 O GLU A 72 5.973 -1.826 -1.557 1.00 0.00 O ATOM 1148 CB GLU A 72 6.848 -4.080 0.412 1.00 0.00 C ATOM 1149 CG GLU A 72 8.235 -3.522 0.684 1.00 0.00 C ATOM 1150 CD GLU A 72 8.913 -3.008 -0.572 1.00 0.00 C ATOM 1151 OE1 GLU A 72 8.879 -3.721 -1.597 1.00 0.00 O ATOM 1152 OE2 GLU A 72 9.477 -1.895 -0.529 1.00 0.00 O ATOM 0 H GLU A 72 4.245 -3.445 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 72 5.629 -2.720 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.643 -4.882 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.833 -4.524 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.161 -2.712 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.853 -4.299 1.134 1.00 0.00 H new ATOM 1159 N VAL A 73 6.552 -0.755 0.335 1.00 0.00 N ATOM 1160 CA VAL A 73 6.935 0.475 -0.348 1.00 0.00 C ATOM 1161 C VAL A 73 8.451 0.599 -0.448 1.00 0.00 C ATOM 1162 O VAL A 73 9.159 0.519 0.556 1.00 0.00 O ATOM 1163 CB VAL A 73 6.375 1.715 0.373 1.00 0.00 C ATOM 1164 CG1 VAL A 73 6.982 2.986 -0.202 1.00 0.00 C ATOM 1165 CG2 VAL A 73 4.858 1.748 0.277 1.00 0.00 C ATOM 0 H VAL A 73 6.662 -0.726 1.349 1.00 0.00 H new ATOM 0 HA VAL A 73 6.511 0.425 -1.351 1.00 0.00 H new ATOM 0 HB VAL A 73 6.647 1.655 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.575 3.852 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.064 2.962 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.743 3.056 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.480 2.631 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.560 1.784 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.445 0.853 0.741 1.00 0.00 H new ATOM 1175 N VAL A 74 8.944 0.796 -1.667 1.00 0.00 N ATOM 1176 CA VAL A 74 10.377 0.933 -1.899 1.00 0.00 C ATOM 1177 C VAL A 74 10.834 2.371 -1.678 1.00 0.00 C ATOM 1178 O VAL A 74 10.083 3.325 -1.879 1.00 0.00 O ATOM 1179 CB VAL A 74 10.759 0.498 -3.326 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.378 -0.955 -3.562 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.097 1.405 -4.354 1.00 0.00 C ATOM 0 H VAL A 74 8.372 0.864 -2.509 1.00 0.00 H new ATOM 0 HA VAL A 74 10.877 0.281 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 74 11.840 0.588 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.656 -1.244 -4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.902 -1.589 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.302 -1.075 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.378 1.084 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.014 1.349 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.425 2.433 -4.197 1.00 0.00 H new ATOM 1191 N PRO A 75 12.097 2.532 -1.254 1.00 0.00 N ATOM 1192 CA PRO A 75 12.684 3.850 -0.997 1.00 0.00 C ATOM 1193 C PRO A 75 12.909 4.644 -2.280 1.00 0.00 C ATOM 1194 O PRO A 75 12.570 4.187 -3.371 1.00 0.00 O ATOM 1195 CB PRO A 75 14.021 3.519 -0.331 1.00 0.00 C ATOM 1196 CG PRO A 75 14.360 2.153 -0.820 1.00 0.00 C ATOM 1197 CD PRO A 75 13.049 1.439 -0.994 1.00 0.00 C ATOM 0 HA PRO A 75 12.032 4.475 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.790 4.240 -0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.938 3.541 0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.907 2.200 -1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.998 1.630 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.084 0.731 -1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.778 0.874 -0.102 1.00 0.00 H new