USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 27 THR OG1 : rot -54:sc= 0.719 USER MOD Set 1.2: A 31 THR OG1 : rot 85:sc= 0.65! USER MOD Single : A 15 THR OG1 : rot 64:sc= 0.141 USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 0.468 (180deg=-0.324) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.9!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 37 GLN : amide:sc= -4.47! C(o=-4.5!,f=-4.4!) USER MOD Single : A 38 TYR OH : rot 169:sc= -0.556 USER MOD Single : A 43 SER OG : rot -161:sc= -3.16! USER MOD Single : A 46 LYS NZ :NH3+ 178:sc=-0.00194 (180deg=-0.00493) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -11! C(o=-11!,f=-16!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 175:sc=-0.00457 (180deg=-0.0422) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.88 K(o=-1.9,f=-2.6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -6.38! C(o=-6.4!,f=-6.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.283 0.400 2.674 1.00 0.00 N ATOM 216 CA CYS A 14 11.819 1.572 3.468 1.00 0.00 C ATOM 217 C CYS A 14 10.973 1.056 4.640 1.00 0.00 C ATOM 218 O CYS A 14 9.793 0.802 4.496 1.00 0.00 O ATOM 219 CB CYS A 14 10.957 2.400 2.505 1.00 0.00 C ATOM 220 SG CYS A 14 11.804 2.639 0.912 1.00 0.00 S ATOM 0 HA CYS A 14 12.637 2.168 3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.003 1.898 2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.735 3.369 2.952 1.00 0.00 H new ATOM 225 N THR A 15 11.569 0.861 5.787 1.00 0.00 N ATOM 226 CA THR A 15 10.794 0.317 6.945 1.00 0.00 C ATOM 227 C THR A 15 10.361 1.415 7.925 1.00 0.00 C ATOM 228 O THR A 15 9.706 1.142 8.910 1.00 0.00 O ATOM 229 CB THR A 15 11.756 -0.653 7.632 1.00 0.00 C ATOM 230 OG1 THR A 15 13.094 -0.285 7.329 1.00 0.00 O ATOM 231 CG2 THR A 15 11.491 -2.075 7.137 1.00 0.00 C ATOM 0 H THR A 15 12.553 1.053 5.973 1.00 0.00 H new ATOM 0 HA THR A 15 9.872 -0.158 6.610 1.00 0.00 H new ATOM 0 HB THR A 15 11.603 -0.613 8.711 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.283 0.601 7.704 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.178 -2.765 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.464 -2.356 7.371 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.642 -2.119 6.058 1.00 0.00 H new ATOM 239 N GLY A 16 10.710 2.646 7.682 1.00 0.00 N ATOM 240 CA GLY A 16 10.290 3.717 8.633 1.00 0.00 C ATOM 241 C GLY A 16 8.765 3.865 8.588 1.00 0.00 C ATOM 242 O GLY A 16 8.040 3.018 9.071 1.00 0.00 O ATOM 0 H GLY A 16 11.259 2.957 6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.613 3.469 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.766 4.661 8.369 1.00 0.00 H new ATOM 246 N LYS A 17 8.267 4.931 8.018 1.00 0.00 N ATOM 247 CA LYS A 17 6.787 5.120 7.953 1.00 0.00 C ATOM 248 C LYS A 17 6.378 5.630 6.565 1.00 0.00 C ATOM 249 O LYS A 17 7.213 5.857 5.712 1.00 0.00 O ATOM 250 CB LYS A 17 6.485 6.175 9.015 1.00 0.00 C ATOM 251 CG LYS A 17 5.715 5.536 10.169 1.00 0.00 C ATOM 252 CD LYS A 17 6.404 5.877 11.492 1.00 0.00 C ATOM 253 CE LYS A 17 7.580 4.923 11.717 1.00 0.00 C ATOM 254 NZ LYS A 17 7.494 4.540 13.153 1.00 0.00 N ATOM 0 H LYS A 17 8.819 5.677 7.596 1.00 0.00 H new ATOM 0 HA LYS A 17 6.242 4.192 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.414 6.612 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.901 6.986 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.687 5.897 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.672 4.455 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.757 6.908 11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.694 5.796 12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.509 4.049 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.530 5.408 11.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.449 4.358 13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.056 5.313 13.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.916 3.680 13.249 1.00 0.00 H new ATOM 268 N PHE A 18 5.103 5.807 6.325 1.00 0.00 N ATOM 269 CA PHE A 18 4.671 6.296 4.985 1.00 0.00 C ATOM 270 C PHE A 18 3.574 7.355 5.093 1.00 0.00 C ATOM 271 O PHE A 18 2.710 7.294 5.945 1.00 0.00 O ATOM 272 CB PHE A 18 4.135 5.066 4.277 1.00 0.00 C ATOM 273 CG PHE A 18 5.287 4.324 3.663 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.079 3.507 4.470 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.572 4.462 2.301 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.163 2.822 3.921 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.657 3.773 1.747 1.00 0.00 C ATOM 278 CZ PHE A 18 7.453 2.954 2.559 1.00 0.00 C ATOM 0 H PHE A 18 4.351 5.636 6.993 1.00 0.00 H new ATOM 0 HA PHE A 18 5.497 6.768 4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.605 4.425 4.982 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.419 5.355 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.853 3.405 5.521 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.958 5.097 1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.777 2.191 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.880 3.872 0.695 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.292 2.424 2.133 1.00 0.00 H new ATOM 288 N LYS A 19 3.601 8.316 4.212 1.00 0.00 N ATOM 289 CA LYS A 19 2.563 9.381 4.222 1.00 0.00 C ATOM 290 C LYS A 19 1.726 9.286 2.948 1.00 0.00 C ATOM 291 O LYS A 19 2.231 9.446 1.857 1.00 0.00 O ATOM 292 CB LYS A 19 3.349 10.690 4.235 1.00 0.00 C ATOM 293 CG LYS A 19 2.374 11.869 4.289 1.00 0.00 C ATOM 294 CD LYS A 19 3.150 13.180 4.151 1.00 0.00 C ATOM 295 CE LYS A 19 3.390 13.477 2.670 1.00 0.00 C ATOM 296 NZ LYS A 19 3.053 14.918 2.507 1.00 0.00 N ATOM 0 H LYS A 19 4.305 8.409 3.479 1.00 0.00 H new ATOM 0 HA LYS A 19 1.885 9.300 5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.017 10.717 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.973 10.761 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.639 11.783 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.824 11.857 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.592 13.996 4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.102 13.109 4.678 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.425 13.280 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.763 12.851 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.193 15.197 1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.060 15.075 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.670 15.490 3.118 1.00 0.00 H new ATOM 310 N VAL A 20 0.453 9.036 3.063 1.00 0.00 N ATOM 311 CA VAL A 20 -0.378 8.947 1.831 1.00 0.00 C ATOM 312 C VAL A 20 -0.299 10.278 1.081 1.00 0.00 C ATOM 313 O VAL A 20 -0.453 11.340 1.653 1.00 0.00 O ATOM 314 CB VAL A 20 -1.805 8.681 2.314 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.725 8.486 1.105 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.826 7.415 3.173 1.00 0.00 C ATOM 0 H VAL A 20 -0.043 8.891 3.943 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.043 8.162 1.153 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.151 9.529 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.742 8.296 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.712 9.385 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.377 7.637 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.843 7.226 3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.480 6.568 2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.171 7.548 4.034 1.00 0.00 H new ATOM 326 N VAL A 21 -0.067 10.223 -0.195 1.00 0.00 N ATOM 327 CA VAL A 21 0.020 11.460 -1.010 1.00 0.00 C ATOM 328 C VAL A 21 -1.250 11.539 -1.849 1.00 0.00 C ATOM 329 O VAL A 21 -1.721 12.598 -2.211 1.00 0.00 O ATOM 330 CB VAL A 21 1.271 11.259 -1.872 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.414 12.395 -2.883 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.503 11.239 -0.967 1.00 0.00 C ATOM 0 H VAL A 21 0.069 9.358 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 21 0.097 12.385 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 21 1.180 10.316 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.308 12.235 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.538 12.417 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.498 13.344 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.398 11.096 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.576 12.185 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.416 10.422 -0.251 1.00 0.00 H new ATOM 342 N LYS A 22 -1.822 10.397 -2.112 1.00 0.00 N ATOM 343 CA LYS A 22 -3.093 10.336 -2.877 1.00 0.00 C ATOM 344 C LYS A 22 -3.798 9.022 -2.541 1.00 0.00 C ATOM 345 O LYS A 22 -3.193 7.960 -2.522 1.00 0.00 O ATOM 346 CB LYS A 22 -2.710 10.393 -4.349 1.00 0.00 C ATOM 347 CG LYS A 22 -3.945 10.088 -5.199 1.00 0.00 C ATOM 348 CD LYS A 22 -3.510 9.398 -6.490 1.00 0.00 C ATOM 349 CE LYS A 22 -4.580 9.600 -7.566 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.843 10.125 -8.749 1.00 0.00 N ATOM 0 H LYS A 22 -1.454 9.490 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.770 11.155 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.316 11.379 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.920 9.672 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.633 9.449 -4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.480 11.010 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.558 9.806 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.356 8.334 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.086 8.663 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.345 10.302 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.511 10.289 -9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.377 11.020 -8.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.126 9.433 -9.046 1.00 0.00 H new ATOM 364 N GLU A 23 -5.070 9.102 -2.262 1.00 0.00 N ATOM 365 CA GLU A 23 -5.851 7.885 -1.893 1.00 0.00 C ATOM 366 C GLU A 23 -5.672 6.777 -2.923 1.00 0.00 C ATOM 367 O GLU A 23 -5.345 7.018 -4.069 1.00 0.00 O ATOM 368 CB GLU A 23 -7.307 8.351 -1.857 1.00 0.00 C ATOM 369 CG GLU A 23 -8.135 7.376 -1.017 1.00 0.00 C ATOM 370 CD GLU A 23 -9.534 7.954 -0.796 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.665 8.833 0.040 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.451 7.510 -1.468 1.00 0.00 O ATOM 0 H GLU A 23 -5.608 9.968 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.522 7.469 -0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.368 9.354 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.707 8.406 -2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.204 6.412 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.647 7.200 -0.058 1.00 0.00 H new ATOM 379 N ILE A 24 -5.887 5.556 -2.518 1.00 0.00 N ATOM 380 CA ILE A 24 -5.735 4.419 -3.464 1.00 0.00 C ATOM 381 C ILE A 24 -6.571 4.670 -4.720 1.00 0.00 C ATOM 382 O ILE A 24 -7.734 5.018 -4.652 1.00 0.00 O ATOM 383 CB ILE A 24 -6.234 3.180 -2.694 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.038 2.437 -2.099 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.978 2.223 -3.632 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.037 2.109 -3.212 1.00 0.00 C ATOM 0 H ILE A 24 -6.162 5.298 -1.570 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.706 4.286 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.910 3.514 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.560 3.049 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.371 1.520 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.322 1.355 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.835 2.735 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.307 1.897 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.183 1.579 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.519 1.481 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.696 3.033 -3.678 1.00 0.00 H new ATOM 398 N ALA A 25 -5.989 4.470 -5.863 1.00 0.00 N ATOM 399 CA ALA A 25 -6.737 4.664 -7.129 1.00 0.00 C ATOM 400 C ALA A 25 -6.975 3.299 -7.765 1.00 0.00 C ATOM 401 O ALA A 25 -6.437 2.308 -7.320 1.00 0.00 O ATOM 402 CB ALA A 25 -5.824 5.521 -8.002 1.00 0.00 C ATOM 0 H ALA A 25 -5.018 4.178 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.707 5.141 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.308 5.709 -8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.628 6.470 -7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.883 4.997 -8.168 1.00 0.00 H new ATOM 408 N GLU A 26 -7.768 3.221 -8.791 1.00 0.00 N ATOM 409 CA GLU A 26 -8.007 1.893 -9.416 1.00 0.00 C ATOM 410 C GLU A 26 -7.473 1.875 -10.847 1.00 0.00 C ATOM 411 O GLU A 26 -7.679 2.796 -11.611 1.00 0.00 O ATOM 412 CB GLU A 26 -9.523 1.707 -9.399 1.00 0.00 C ATOM 413 CG GLU A 26 -10.200 2.994 -9.867 1.00 0.00 C ATOM 414 CD GLU A 26 -10.700 3.780 -8.653 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.693 3.370 -8.074 1.00 0.00 O ATOM 416 OE2 GLU A 26 -10.081 4.778 -8.322 1.00 0.00 O ATOM 0 H GLU A 26 -8.256 4.007 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.498 1.091 -8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.806 0.878 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.858 1.453 -8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.498 3.599 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.033 2.759 -10.529 1.00 0.00 H new ATOM 423 N THR A 27 -6.776 0.834 -11.208 1.00 0.00 N ATOM 424 CA THR A 27 -6.217 0.758 -12.587 1.00 0.00 C ATOM 425 C THR A 27 -7.191 0.031 -13.518 1.00 0.00 C ATOM 426 O THR A 27 -8.219 -0.461 -13.095 1.00 0.00 O ATOM 427 CB THR A 27 -4.914 -0.030 -12.440 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.215 -1.406 -12.263 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.132 0.485 -11.228 1.00 0.00 C ATOM 0 H THR A 27 -6.569 0.034 -10.610 1.00 0.00 H new ATOM 0 HA THR A 27 -6.049 1.744 -13.021 1.00 0.00 H new ATOM 0 HB THR A 27 -4.309 0.099 -13.337 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.834 -1.511 -11.511 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.205 -0.079 -11.127 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.901 1.541 -11.366 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.733 0.360 -10.327 1.00 0.00 H new ATOM 437 N GLN A 28 -6.879 -0.036 -14.783 1.00 0.00 N ATOM 438 CA GLN A 28 -7.791 -0.724 -15.742 1.00 0.00 C ATOM 439 C GLN A 28 -7.448 -2.215 -15.832 1.00 0.00 C ATOM 440 O GLN A 28 -7.683 -2.855 -16.837 1.00 0.00 O ATOM 441 CB GLN A 28 -7.543 -0.037 -17.086 1.00 0.00 C ATOM 442 CG GLN A 28 -7.776 1.468 -16.939 1.00 0.00 C ATOM 443 CD GLN A 28 -9.207 1.806 -17.362 1.00 0.00 C ATOM 444 OE1 GLN A 28 -9.985 0.926 -17.674 1.00 0.00 O ATOM 445 NE2 GLN A 28 -9.590 3.054 -17.386 1.00 0.00 N ATOM 0 H GLN A 28 -6.032 0.356 -15.195 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.835 -0.659 -15.434 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.523 -0.227 -17.421 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.210 -0.447 -17.845 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.609 1.774 -15.906 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.064 2.019 -17.554 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.937 3.793 -17.124 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.542 3.290 -17.667 1.00 0.00 H new ATOM 454 N HIS A 29 -6.896 -2.772 -14.790 1.00 0.00 N ATOM 455 CA HIS A 29 -6.543 -4.221 -14.821 1.00 0.00 C ATOM 456 C HIS A 29 -7.070 -4.920 -13.566 1.00 0.00 C ATOM 457 O HIS A 29 -6.788 -6.077 -13.323 1.00 0.00 O ATOM 458 CB HIS A 29 -5.015 -4.255 -14.851 1.00 0.00 C ATOM 459 CG HIS A 29 -4.549 -4.655 -16.224 1.00 0.00 C ATOM 460 ND1 HIS A 29 -4.709 -5.941 -16.714 1.00 0.00 N ATOM 461 CD2 HIS A 29 -3.925 -3.949 -17.223 1.00 0.00 C ATOM 462 CE1 HIS A 29 -4.192 -5.970 -17.956 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.701 -4.781 -18.315 1.00 0.00 N ATOM 0 H HIS A 29 -6.674 -2.289 -13.920 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.980 -4.734 -15.678 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.614 -3.276 -14.590 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.642 -4.961 -14.109 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.650 -2.906 -17.169 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.176 -6.847 -18.586 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.257 -4.536 -19.200 1.00 0.00 H new ATOM 471 N GLY A 30 -7.829 -4.226 -12.762 1.00 0.00 N ATOM 472 CA GLY A 30 -8.367 -4.849 -11.521 1.00 0.00 C ATOM 473 C GLY A 30 -7.450 -4.504 -10.346 1.00 0.00 C ATOM 474 O GLY A 30 -7.655 -4.948 -9.234 1.00 0.00 O ATOM 0 H GLY A 30 -8.099 -3.254 -12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.377 -4.488 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.432 -5.930 -11.642 1.00 0.00 H new ATOM 478 N THR A 31 -6.438 -3.714 -10.586 1.00 0.00 N ATOM 479 CA THR A 31 -5.505 -3.338 -9.487 1.00 0.00 C ATOM 480 C THR A 31 -5.895 -1.983 -8.901 1.00 0.00 C ATOM 481 O THR A 31 -6.857 -1.365 -9.310 1.00 0.00 O ATOM 482 CB THR A 31 -4.125 -3.239 -10.142 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.249 -3.402 -11.548 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.217 -4.330 -9.581 1.00 0.00 C ATOM 0 H THR A 31 -6.218 -3.313 -11.497 1.00 0.00 H new ATOM 0 HA THR A 31 -5.526 -4.065 -8.675 1.00 0.00 H new ATOM 0 HB THR A 31 -3.694 -2.261 -9.930 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.471 -2.540 -11.959 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.234 -4.260 -10.047 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.118 -4.202 -8.503 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.650 -5.308 -9.792 1.00 0.00 H new ATOM 492 N ILE A 32 -5.131 -1.512 -7.962 1.00 0.00 N ATOM 493 CA ILE A 32 -5.413 -0.187 -7.351 1.00 0.00 C ATOM 494 C ILE A 32 -4.083 0.528 -7.167 1.00 0.00 C ATOM 495 O ILE A 32 -3.050 -0.099 -7.078 1.00 0.00 O ATOM 496 CB ILE A 32 -6.098 -0.429 -5.993 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.280 -1.928 -5.720 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.470 0.244 -6.006 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.460 -2.157 -4.218 1.00 0.00 C ATOM 0 H ILE A 32 -4.314 -1.993 -7.587 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.066 0.423 -7.975 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.468 -0.011 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.148 -2.304 -6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.414 -2.482 -6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.965 0.079 -5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.349 1.314 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.076 -0.181 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.589 -3.222 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.579 -1.796 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.340 -1.616 -3.870 1.00 0.00 H new ATOM 511 N VAL A 33 -4.081 1.822 -7.149 1.00 0.00 N ATOM 512 CA VAL A 33 -2.788 2.542 -7.022 1.00 0.00 C ATOM 513 C VAL A 33 -2.731 3.420 -5.775 1.00 0.00 C ATOM 514 O VAL A 33 -3.612 4.212 -5.515 1.00 0.00 O ATOM 515 CB VAL A 33 -2.737 3.404 -8.273 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.583 4.395 -8.161 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.543 2.504 -9.493 1.00 0.00 C ATOM 0 H VAL A 33 -4.910 2.413 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.949 1.852 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.669 3.959 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.546 5.013 -9.058 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.733 5.030 -7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.645 3.850 -8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.506 3.116 -10.394 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.610 1.950 -9.392 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.375 1.804 -9.564 1.00 0.00 H new ATOM 527 N ILE A 34 -1.676 3.303 -5.016 1.00 0.00 N ATOM 528 CA ILE A 34 -1.537 4.145 -3.810 1.00 0.00 C ATOM 529 C ILE A 34 -0.355 5.086 -3.984 1.00 0.00 C ATOM 530 O ILE A 34 0.764 4.661 -4.158 1.00 0.00 O ATOM 531 CB ILE A 34 -1.323 3.168 -2.650 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.099 3.694 -1.462 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.161 3.051 -2.275 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.402 4.935 -0.919 1.00 0.00 C ATOM 0 H ILE A 34 -0.906 2.656 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.411 4.770 -3.626 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.666 2.177 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.120 3.935 -1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.163 2.930 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.273 2.349 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.726 2.692 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.539 4.028 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.957 5.319 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.389 4.677 -0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.361 5.698 -1.696 1.00 0.00 H new ATOM 546 N ARG A 35 -0.592 6.355 -3.921 1.00 0.00 N ATOM 547 CA ARG A 35 0.527 7.313 -4.076 1.00 0.00 C ATOM 548 C ARG A 35 0.831 7.900 -2.707 1.00 0.00 C ATOM 549 O ARG A 35 0.026 8.599 -2.123 1.00 0.00 O ATOM 550 CB ARG A 35 0.020 8.357 -5.082 1.00 0.00 C ATOM 551 CG ARG A 35 0.382 9.778 -4.632 1.00 0.00 C ATOM 552 CD ARG A 35 0.095 10.763 -5.767 1.00 0.00 C ATOM 553 NE ARG A 35 1.425 11.050 -6.372 1.00 0.00 N ATOM 554 CZ ARG A 35 1.552 12.004 -7.255 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.514 12.712 -7.612 1.00 0.00 N ATOM 556 NH2 ARG A 35 2.721 12.252 -7.782 1.00 0.00 N ATOM 0 H ARG A 35 -1.510 6.773 -3.769 1.00 0.00 H new ATOM 0 HA ARG A 35 1.455 6.874 -4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.453 8.161 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.061 8.270 -5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.195 10.048 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.435 9.825 -4.353 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.588 10.333 -6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.373 11.673 -5.391 1.00 0.00 H new ATOM 0 HE ARG A 35 2.239 10.500 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.400 12.521 -7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.617 13.456 -8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.533 11.701 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.822 12.997 -8.472 1.00 0.00 H new ATOM 570 N VAL A 36 1.979 7.604 -2.181 1.00 0.00 N ATOM 571 CA VAL A 36 2.323 8.118 -0.849 1.00 0.00 C ATOM 572 C VAL A 36 3.702 8.710 -0.887 1.00 0.00 C ATOM 573 O VAL A 36 4.284 8.896 -1.930 1.00 0.00 O ATOM 574 CB VAL A 36 2.261 6.910 0.091 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.081 6.018 -0.293 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.557 6.099 -0.010 1.00 0.00 C ATOM 0 H VAL A 36 2.693 7.025 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 36 1.644 8.902 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 36 2.136 7.266 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.040 5.160 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.154 6.586 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.206 5.671 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.503 5.242 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.689 5.749 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.402 6.728 0.270 1.00 0.00 H new ATOM 586 N GLN A 37 4.216 9.014 0.242 1.00 0.00 N ATOM 587 CA GLN A 37 5.552 9.608 0.302 1.00 0.00 C ATOM 588 C GLN A 37 6.330 8.905 1.400 1.00 0.00 C ATOM 589 O GLN A 37 5.865 8.774 2.514 1.00 0.00 O ATOM 590 CB GLN A 37 5.265 11.060 0.645 1.00 0.00 C ATOM 591 CG GLN A 37 6.579 11.824 0.828 1.00 0.00 C ATOM 592 CD GLN A 37 6.284 13.316 0.988 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.871 13.977 1.823 1.00 0.00 O ATOM 594 NE2 GLN A 37 5.393 13.879 0.218 1.00 0.00 N ATOM 0 H GLN A 37 3.762 8.875 1.145 1.00 0.00 H new ATOM 0 HA GLN A 37 6.144 9.521 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.675 11.520 -0.148 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.672 11.116 1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.110 11.451 1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.229 11.661 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.901 13.324 -0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.189 14.874 0.317 1.00 0.00 H new ATOM 603 N TYR A 38 7.493 8.420 1.100 1.00 0.00 N ATOM 604 CA TYR A 38 8.257 7.696 2.146 1.00 0.00 C ATOM 605 C TYR A 38 8.539 8.626 3.327 1.00 0.00 C ATOM 606 O TYR A 38 9.106 9.686 3.176 1.00 0.00 O ATOM 607 CB TYR A 38 9.558 7.262 1.471 1.00 0.00 C ATOM 608 CG TYR A 38 10.389 6.430 2.427 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.815 5.905 3.593 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.740 6.191 2.148 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.590 5.143 4.475 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.515 5.430 3.030 1.00 0.00 C ATOM 613 CZ TYR A 38 11.941 4.906 4.193 1.00 0.00 C ATOM 614 OH TYR A 38 12.705 4.156 5.064 1.00 0.00 O ATOM 0 H TYR A 38 7.946 8.490 0.189 1.00 0.00 H new ATOM 0 HA TYR A 38 7.709 6.841 2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.336 6.685 0.573 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.123 8.139 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.773 6.089 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.185 6.595 1.250 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.146 4.738 5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.557 5.247 2.813 1.00 0.00 H new ATOM 0 HH TYR A 38 13.562 3.938 4.643 1.00 0.00 H new ATOM 624 N GLU A 39 8.138 8.236 4.503 1.00 0.00 N ATOM 625 CA GLU A 39 8.381 9.091 5.699 1.00 0.00 C ATOM 626 C GLU A 39 9.540 8.512 6.504 1.00 0.00 C ATOM 627 O GLU A 39 10.187 9.195 7.273 1.00 0.00 O ATOM 628 CB GLU A 39 7.083 9.026 6.504 1.00 0.00 C ATOM 629 CG GLU A 39 6.151 10.158 6.066 1.00 0.00 C ATOM 630 CD GLU A 39 6.766 11.504 6.453 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.382 11.571 7.504 1.00 0.00 O ATOM 632 OE2 GLU A 39 6.609 12.444 5.693 1.00 0.00 O ATOM 0 H GLU A 39 7.651 7.359 4.689 1.00 0.00 H new ATOM 0 HA GLU A 39 8.641 10.117 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.597 8.062 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.299 9.110 7.569 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.991 10.115 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.175 10.043 6.538 1.00 0.00 H new ATOM 639 N GLY A 40 9.800 7.249 6.327 1.00 0.00 N ATOM 640 CA GLY A 40 10.910 6.598 7.067 1.00 0.00 C ATOM 641 C GLY A 40 12.244 7.200 6.639 1.00 0.00 C ATOM 642 O GLY A 40 12.304 8.276 6.078 1.00 0.00 O ATOM 0 H GLY A 40 9.285 6.635 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.770 6.730 8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.907 5.525 6.874 1.00 0.00 H new ATOM 646 N ASP A 41 13.313 6.506 6.898 1.00 0.00 N ATOM 647 CA ASP A 41 14.653 7.024 6.506 1.00 0.00 C ATOM 648 C ASP A 41 15.548 5.870 6.046 1.00 0.00 C ATOM 649 O ASP A 41 16.193 5.217 6.842 1.00 0.00 O ATOM 650 CB ASP A 41 15.216 7.669 7.772 1.00 0.00 C ATOM 651 CG ASP A 41 15.058 6.705 8.950 1.00 0.00 C ATOM 652 OD1 ASP A 41 13.978 6.665 9.515 1.00 0.00 O ATOM 653 OD2 ASP A 41 16.020 6.025 9.266 1.00 0.00 O ATOM 0 H ASP A 41 13.319 5.599 7.366 1.00 0.00 H new ATOM 0 HA ASP A 41 14.598 7.733 5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.268 7.917 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.694 8.603 7.980 1.00 0.00 H new ATOM 658 N GLY A 42 15.590 5.608 4.767 1.00 0.00 N ATOM 659 CA GLY A 42 16.440 4.492 4.267 1.00 0.00 C ATOM 660 C GLY A 42 16.911 4.790 2.843 1.00 0.00 C ATOM 661 O GLY A 42 17.388 3.917 2.147 1.00 0.00 O ATOM 0 H GLY A 42 15.074 6.117 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.300 4.357 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.877 3.559 4.285 1.00 0.00 H new ATOM 665 N SER A 43 16.795 6.013 2.403 1.00 0.00 N ATOM 666 CA SER A 43 17.255 6.340 1.028 1.00 0.00 C ATOM 667 C SER A 43 16.691 5.302 0.043 1.00 0.00 C ATOM 668 O SER A 43 15.724 4.644 0.353 1.00 0.00 O ATOM 669 CB SER A 43 18.772 6.264 1.141 1.00 0.00 C ATOM 670 OG SER A 43 19.361 7.285 0.346 1.00 0.00 O ATOM 0 H SER A 43 16.405 6.793 2.932 1.00 0.00 H new ATOM 0 HA SER A 43 16.926 7.311 0.659 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.075 6.379 2.182 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.123 5.286 0.813 1.00 0.00 H new ATOM 0 HG SER A 43 20.300 7.064 0.172 1.00 0.00 H new ATOM 676 N PRO A 44 17.292 5.183 -1.114 1.00 0.00 N ATOM 677 CA PRO A 44 16.796 4.212 -2.114 1.00 0.00 C ATOM 678 C PRO A 44 16.445 2.881 -1.445 1.00 0.00 C ATOM 679 O PRO A 44 17.288 2.030 -1.240 1.00 0.00 O ATOM 680 CB PRO A 44 17.966 4.069 -3.076 1.00 0.00 C ATOM 681 CG PRO A 44 18.666 5.386 -3.005 1.00 0.00 C ATOM 682 CD PRO A 44 18.464 5.913 -1.607 1.00 0.00 C ATOM 0 HA PRO A 44 15.883 4.533 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.625 3.252 -2.782 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.624 3.854 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.727 5.272 -3.225 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.260 6.079 -3.742 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.339 5.731 -0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.292 6.989 -1.608 1.00 0.00 H new ATOM 690 N CYS A 45 15.197 2.700 -1.110 1.00 0.00 N ATOM 691 CA CYS A 45 14.767 1.431 -0.458 1.00 0.00 C ATOM 692 C CYS A 45 13.399 0.988 -0.988 1.00 0.00 C ATOM 693 O CYS A 45 12.743 1.705 -1.714 1.00 0.00 O ATOM 694 CB CYS A 45 14.700 1.728 1.043 1.00 0.00 C ATOM 695 SG CYS A 45 13.688 3.197 1.373 1.00 0.00 S ATOM 0 H CYS A 45 14.453 3.381 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 45 15.463 0.619 -0.669 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.282 0.869 1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.707 1.881 1.432 1.00 0.00 H new ATOM 700 N LYS A 46 12.978 -0.201 -0.642 1.00 0.00 N ATOM 701 CA LYS A 46 11.665 -0.708 -1.145 1.00 0.00 C ATOM 702 C LYS A 46 10.514 -0.280 -0.232 1.00 0.00 C ATOM 703 O LYS A 46 10.713 0.190 0.864 1.00 0.00 O ATOM 704 CB LYS A 46 11.818 -2.230 -1.154 1.00 0.00 C ATOM 705 CG LYS A 46 12.048 -2.723 -2.584 1.00 0.00 C ATOM 706 CD LYS A 46 11.890 -4.243 -2.635 1.00 0.00 C ATOM 707 CE LYS A 46 11.480 -4.665 -4.048 1.00 0.00 C ATOM 708 NZ LYS A 46 11.305 -6.143 -3.973 1.00 0.00 N ATOM 0 H LYS A 46 13.486 -0.843 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 46 11.425 -0.308 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.655 -2.524 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.925 -2.696 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.336 -2.251 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.045 -2.440 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.826 -4.726 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.138 -4.566 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.557 -4.173 -4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.243 -4.394 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.990 -6.503 -4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.210 -6.587 -3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.592 -6.372 -3.251 1.00 0.00 H new ATOM 722 N ILE A 47 9.305 -0.408 -0.702 1.00 0.00 N ATOM 723 CA ILE A 47 8.141 0.041 0.107 1.00 0.00 C ATOM 724 C ILE A 47 7.312 -1.131 0.651 1.00 0.00 C ATOM 725 O ILE A 47 6.839 -1.960 -0.098 1.00 0.00 O ATOM 726 CB ILE A 47 7.313 0.850 -0.884 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.230 1.846 -1.601 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.211 1.603 -0.136 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.619 2.952 -0.628 1.00 0.00 C ATOM 0 H ILE A 47 9.074 -0.805 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 47 8.456 0.601 0.987 1.00 0.00 H new ATOM 0 HB ILE A 47 6.854 0.184 -1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.121 1.339 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.722 2.269 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.619 2.181 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.566 0.889 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.661 2.276 0.594 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.272 3.666 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.721 3.464 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.142 2.519 0.225 1.00 0.00 H new ATOM 741 N PRO A 48 7.141 -1.134 1.948 1.00 0.00 N ATOM 742 CA PRO A 48 6.332 -2.186 2.622 1.00 0.00 C ATOM 743 C PRO A 48 4.874 -2.121 2.155 1.00 0.00 C ATOM 744 O PRO A 48 4.350 -1.062 1.873 1.00 0.00 O ATOM 745 CB PRO A 48 6.418 -1.810 4.099 1.00 0.00 C ATOM 746 CG PRO A 48 7.620 -0.932 4.202 1.00 0.00 C ATOM 747 CD PRO A 48 7.682 -0.175 2.910 1.00 0.00 C ATOM 0 HA PRO A 48 6.688 -3.194 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.519 -1.289 4.427 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.520 -2.695 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.537 -0.252 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.524 -1.522 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.089 0.739 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.702 0.117 2.660 1.00 0.00 H new ATOM 755 N PHE A 49 4.217 -3.243 2.066 1.00 0.00 N ATOM 756 CA PHE A 49 2.802 -3.245 1.615 1.00 0.00 C ATOM 757 C PHE A 49 2.068 -4.480 2.148 1.00 0.00 C ATOM 758 O PHE A 49 2.678 -5.465 2.514 1.00 0.00 O ATOM 759 CB PHE A 49 2.912 -3.316 0.105 1.00 0.00 C ATOM 760 CG PHE A 49 1.671 -2.725 -0.524 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.591 -1.346 -0.748 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.599 -3.554 -0.881 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.443 -0.795 -1.329 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.549 -3.002 -1.461 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.628 -1.623 -1.685 1.00 0.00 C ATOM 0 H PHE A 49 4.602 -4.161 2.287 1.00 0.00 H new ATOM 0 HA PHE A 49 2.245 -2.377 1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.796 -2.773 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.034 -4.352 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.416 -0.706 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.659 -4.618 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.384 0.269 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.375 -3.641 -1.736 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.514 -1.198 -2.132 1.00 0.00 H new ATOM 775 N GLU A 50 0.765 -4.438 2.183 1.00 0.00 N ATOM 776 CA GLU A 50 -0.003 -5.616 2.682 1.00 0.00 C ATOM 777 C GLU A 50 -1.508 -5.351 2.574 1.00 0.00 C ATOM 778 O GLU A 50 -2.042 -4.471 3.219 1.00 0.00 O ATOM 779 CB GLU A 50 0.420 -5.778 4.142 1.00 0.00 C ATOM 780 CG GLU A 50 -0.451 -6.842 4.812 1.00 0.00 C ATOM 781 CD GLU A 50 -0.254 -8.182 4.100 1.00 0.00 C ATOM 782 OE1 GLU A 50 0.888 -8.574 3.925 1.00 0.00 O ATOM 783 OE2 GLU A 50 -1.247 -8.792 3.742 1.00 0.00 O ATOM 0 H GLU A 50 0.199 -3.642 1.889 1.00 0.00 H new ATOM 0 HA GLU A 50 0.198 -6.517 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.470 -6.065 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.321 -4.828 4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.186 -6.935 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.500 -6.547 4.772 1.00 0.00 H new ATOM 790 N ILE A 51 -2.196 -6.105 1.758 1.00 0.00 N ATOM 791 CA ILE A 51 -3.666 -5.894 1.605 1.00 0.00 C ATOM 792 C ILE A 51 -4.441 -7.008 2.314 1.00 0.00 C ATOM 793 O ILE A 51 -5.153 -7.772 1.693 1.00 0.00 O ATOM 794 CB ILE A 51 -3.921 -5.945 0.099 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.952 -5.000 -0.616 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.360 -5.508 -0.189 1.00 0.00 C ATOM 797 CD1 ILE A 51 -3.059 -5.208 -2.127 1.00 0.00 C ATOM 0 H ILE A 51 -1.804 -6.857 1.191 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.992 -4.951 2.044 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.769 -6.963 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.183 -3.965 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.931 -5.189 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.543 -5.544 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.053 -6.178 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.510 -4.490 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.369 -4.535 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.806 -6.240 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.078 -4.997 -2.452 1.00 0.00 H new ATOM 970 N GLY A 61 -3.744 -10.208 -1.429 1.00 0.00 N ATOM 971 CA GLY A 61 -3.860 -9.520 -2.746 1.00 0.00 C ATOM 972 C GLY A 61 -2.520 -9.594 -3.480 1.00 0.00 C ATOM 973 O GLY A 61 -1.578 -10.202 -3.011 1.00 0.00 O ATOM 0 HA2 GLY A 61 -4.641 -9.988 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.150 -8.479 -2.600 1.00 0.00 H new ATOM 977 N ARG A 62 -2.423 -8.976 -4.627 1.00 0.00 N ATOM 978 CA ARG A 62 -1.139 -9.012 -5.384 1.00 0.00 C ATOM 979 C ARG A 62 -0.550 -7.610 -5.480 1.00 0.00 C ATOM 980 O ARG A 62 -1.206 -6.627 -5.194 1.00 0.00 O ATOM 981 CB ARG A 62 -1.502 -9.522 -6.777 1.00 0.00 C ATOM 982 CG ARG A 62 -0.492 -10.589 -7.204 1.00 0.00 C ATOM 983 CD ARG A 62 0.698 -9.917 -7.894 1.00 0.00 C ATOM 984 NE ARG A 62 1.881 -10.289 -7.068 1.00 0.00 N ATOM 985 CZ ARG A 62 3.085 -10.198 -7.568 1.00 0.00 C ATOM 986 NH1 ARG A 62 3.258 -9.783 -8.793 1.00 0.00 N ATOM 987 NH2 ARG A 62 4.117 -10.524 -6.839 1.00 0.00 N ATOM 0 H ARG A 62 -3.175 -8.449 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.398 -9.647 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.509 -9.939 -6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.501 -8.698 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.152 -11.152 -6.335 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.964 -11.302 -7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.808 -10.266 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.571 -8.835 -7.937 1.00 0.00 H new ATOM 0 HE ARG A 62 1.751 -10.615 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.452 -9.528 -9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.199 -9.713 -9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.983 -10.849 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.058 -10.454 -7.227 1.00 0.00 H new ATOM 1001 N LEU A 63 0.681 -7.508 -5.886 1.00 0.00 N ATOM 1002 CA LEU A 63 1.307 -6.172 -6.007 1.00 0.00 C ATOM 1003 C LEU A 63 1.981 -6.035 -7.370 1.00 0.00 C ATOM 1004 O LEU A 63 2.985 -6.662 -7.645 1.00 0.00 O ATOM 1005 CB LEU A 63 2.341 -6.115 -4.887 1.00 0.00 C ATOM 1006 CG LEU A 63 2.322 -4.728 -4.253 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.404 -3.673 -5.352 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.021 -4.546 -3.470 1.00 0.00 C ATOM 0 H LEU A 63 1.279 -8.294 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 63 0.581 -5.363 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.122 -6.874 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.333 -6.334 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 63 3.171 -4.621 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.391 -2.679 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.328 -3.805 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.552 -3.780 -6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.005 -3.555 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.172 -4.649 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.957 -5.304 -2.689 1.00 0.00 H new ATOM 1020 N ILE A 64 1.446 -5.209 -8.221 1.00 0.00 N ATOM 1021 CA ILE A 64 2.066 -5.022 -9.561 1.00 0.00 C ATOM 1022 C ILE A 64 3.384 -4.283 -9.385 1.00 0.00 C ATOM 1023 O ILE A 64 4.296 -4.388 -10.182 1.00 0.00 O ATOM 1024 CB ILE A 64 1.068 -4.167 -10.337 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.347 -4.743 -10.186 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.455 -4.138 -11.815 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.303 -6.274 -10.214 1.00 0.00 C ATOM 0 H ILE A 64 0.607 -4.655 -8.048 1.00 0.00 H new ATOM 0 HA ILE A 64 2.274 -5.959 -10.078 1.00 0.00 H new ATOM 0 HB ILE A 64 1.084 -3.153 -9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.788 -4.402 -9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.984 -4.376 -10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.740 -3.527 -12.366 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.453 -3.714 -11.921 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.448 -5.153 -12.213 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.313 -6.669 -10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.118 -6.609 -11.162 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.317 -6.635 -9.394 1.00 0.00 H new ATOM 1039 N THR A 65 3.475 -3.536 -8.328 1.00 0.00 N ATOM 1040 CA THR A 65 4.710 -2.770 -8.038 1.00 0.00 C ATOM 1041 C THR A 65 5.386 -3.388 -6.804 1.00 0.00 C ATOM 1042 O THR A 65 6.057 -2.728 -6.038 1.00 0.00 O ATOM 1043 CB THR A 65 4.182 -1.336 -7.818 1.00 0.00 C ATOM 1044 OG1 THR A 65 4.575 -0.521 -8.913 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.711 -0.723 -6.525 1.00 0.00 C ATOM 0 H THR A 65 2.731 -3.422 -7.640 1.00 0.00 H new ATOM 0 HA THR A 65 5.473 -2.780 -8.816 1.00 0.00 H new ATOM 0 HB THR A 65 3.096 -1.389 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.241 0.390 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.314 0.286 -6.411 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.398 -1.334 -5.678 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.800 -0.682 -6.560 1.00 0.00 H new ATOM 1053 N VAL A 66 5.192 -4.674 -6.643 1.00 0.00 N ATOM 1054 CA VAL A 66 5.772 -5.442 -5.488 1.00 0.00 C ATOM 1055 C VAL A 66 6.816 -4.639 -4.723 1.00 0.00 C ATOM 1056 O VAL A 66 7.891 -4.360 -5.216 1.00 0.00 O ATOM 1057 CB VAL A 66 6.418 -6.676 -6.112 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.325 -7.357 -5.082 1.00 0.00 C ATOM 1059 CG2 VAL A 66 5.327 -7.653 -6.554 1.00 0.00 C ATOM 0 H VAL A 66 4.639 -5.244 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 66 4.996 -5.688 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 66 7.012 -6.377 -6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.786 -8.238 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.103 -6.662 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.733 -7.656 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.787 -8.535 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.734 -7.951 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.682 -7.170 -7.288 1.00 0.00 H new ATOM 1069 N ASN A 67 6.507 -4.284 -3.512 1.00 0.00 N ATOM 1070 CA ASN A 67 7.474 -3.517 -2.694 1.00 0.00 C ATOM 1071 C ASN A 67 8.158 -2.442 -3.542 1.00 0.00 C ATOM 1072 O ASN A 67 9.334 -2.533 -3.833 1.00 0.00 O ATOM 1073 CB ASN A 67 8.480 -4.564 -2.219 1.00 0.00 C ATOM 1074 CG ASN A 67 9.087 -4.125 -0.885 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.883 -3.009 -0.452 1.00 0.00 O ATOM 1076 ND2 ASN A 67 9.827 -4.962 -0.212 1.00 0.00 N ATOM 0 H ASN A 67 5.621 -4.494 -3.053 1.00 0.00 H new ATOM 0 HA ASN A 67 7.001 -2.994 -1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.988 -5.530 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.266 -4.692 -2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.235 -4.679 0.679 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.998 -5.899 -0.577 1.00 0.00 H new ATOM 1083 N PRO A 68 7.391 -1.450 -3.910 1.00 0.00 N ATOM 1084 CA PRO A 68 7.928 -0.343 -4.731 1.00 0.00 C ATOM 1085 C PRO A 68 9.188 0.212 -4.074 1.00 0.00 C ATOM 1086 O PRO A 68 9.661 -0.325 -3.097 1.00 0.00 O ATOM 1087 CB PRO A 68 6.812 0.703 -4.756 1.00 0.00 C ATOM 1088 CG PRO A 68 5.705 0.175 -3.886 1.00 0.00 C ATOM 1089 CD PRO A 68 5.976 -1.278 -3.597 1.00 0.00 C ATOM 0 HA PRO A 68 8.205 -0.654 -5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.172 1.662 -4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.459 0.868 -5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.650 0.742 -2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.743 0.289 -4.386 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.766 -1.522 -2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.351 -1.929 -4.209 1.00 0.00 H new ATOM 1097 N ILE A 69 9.746 1.271 -4.600 1.00 0.00 N ATOM 1098 CA ILE A 69 10.989 1.818 -3.985 1.00 0.00 C ATOM 1099 C ILE A 69 11.022 3.343 -4.019 1.00 0.00 C ATOM 1100 O ILE A 69 10.629 3.968 -4.984 1.00 0.00 O ATOM 1101 CB ILE A 69 12.130 1.283 -4.852 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.213 -0.250 -4.707 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.447 1.951 -4.422 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.622 -0.693 -4.277 1.00 0.00 C ATOM 0 H ILE A 69 9.400 1.774 -5.417 1.00 0.00 H new ATOM 0 HA ILE A 69 11.058 1.522 -2.938 1.00 0.00 H new ATOM 0 HB ILE A 69 11.947 1.517 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.483 -0.588 -3.972 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.954 -0.722 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.264 1.573 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.366 3.030 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.646 1.723 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.649 -1.779 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.348 -0.375 -5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.869 -0.240 -3.317 1.00 0.00 H new ATOM 1116 N VAL A 70 11.556 3.938 -2.990 1.00 0.00 N ATOM 1117 CA VAL A 70 11.696 5.425 -2.979 1.00 0.00 C ATOM 1118 C VAL A 70 13.150 5.753 -3.303 1.00 0.00 C ATOM 1119 O VAL A 70 14.013 4.909 -3.167 1.00 0.00 O ATOM 1120 CB VAL A 70 11.345 5.885 -1.566 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.286 7.414 -1.529 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.982 5.320 -1.178 1.00 0.00 C ATOM 0 H VAL A 70 11.902 3.462 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 70 11.049 5.918 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 70 12.103 5.531 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.035 7.744 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.255 7.823 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.525 7.766 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.727 5.646 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.227 5.679 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.017 4.231 -1.210 1.00 0.00 H new ATOM 1132 N THR A 71 13.440 6.945 -3.744 1.00 0.00 N ATOM 1133 CA THR A 71 14.855 7.266 -4.085 1.00 0.00 C ATOM 1134 C THR A 71 15.420 8.372 -3.190 1.00 0.00 C ATOM 1135 O THR A 71 16.614 8.588 -3.153 1.00 0.00 O ATOM 1136 CB THR A 71 14.815 7.729 -5.541 1.00 0.00 C ATOM 1137 OG1 THR A 71 14.005 6.842 -6.298 1.00 0.00 O ATOM 1138 CG2 THR A 71 16.234 7.740 -6.107 1.00 0.00 C ATOM 0 H THR A 71 12.770 7.702 -3.882 1.00 0.00 H new ATOM 0 HA THR A 71 15.502 6.402 -3.936 1.00 0.00 H new ATOM 0 HB THR A 71 14.395 8.734 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.978 7.140 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.209 8.070 -7.146 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.853 8.422 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.654 6.736 -6.055 1.00 0.00 H new ATOM 1146 N GLU A 72 14.593 9.087 -2.478 1.00 0.00 N ATOM 1147 CA GLU A 72 15.146 10.174 -1.617 1.00 0.00 C ATOM 1148 C GLU A 72 14.404 10.275 -0.287 1.00 0.00 C ATOM 1149 O GLU A 72 14.413 11.305 0.357 1.00 0.00 O ATOM 1150 CB GLU A 72 14.952 11.450 -2.429 1.00 0.00 C ATOM 1151 CG GLU A 72 15.580 11.270 -3.810 1.00 0.00 C ATOM 1152 CD GLU A 72 15.856 12.642 -4.430 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.896 13.206 -4.132 1.00 0.00 O ATOM 1154 OE2 GLU A 72 15.021 13.105 -5.190 1.00 0.00 O ATOM 0 H GLU A 72 13.580 8.971 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 72 16.190 9.988 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.890 11.675 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.411 12.295 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.507 10.703 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.912 10.697 -4.453 1.00 0.00 H new ATOM 1161 N LYS A 73 13.760 9.224 0.134 1.00 0.00 N ATOM 1162 CA LYS A 73 13.019 9.268 1.430 1.00 0.00 C ATOM 1163 C LYS A 73 11.829 10.229 1.352 1.00 0.00 C ATOM 1164 O LYS A 73 11.093 10.384 2.302 1.00 0.00 O ATOM 1165 CB LYS A 73 14.038 9.758 2.462 1.00 0.00 C ATOM 1166 CG LYS A 73 14.397 8.614 3.412 1.00 0.00 C ATOM 1167 CD LYS A 73 15.753 8.896 4.064 1.00 0.00 C ATOM 1168 CE LYS A 73 16.802 9.147 2.977 1.00 0.00 C ATOM 1169 NZ LYS A 73 18.085 8.675 3.566 1.00 0.00 N ATOM 0 H LYS A 73 13.713 8.334 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 73 12.610 8.292 1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.934 10.121 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.627 10.596 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.629 8.509 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.434 7.672 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.679 9.763 4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.052 8.051 4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.563 8.602 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.853 10.204 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.838 8.735 2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.333 9.271 4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.982 7.688 3.878 1.00 0.00 H new ATOM 1183 N ASP A 74 11.635 10.880 0.242 1.00 0.00 N ATOM 1184 CA ASP A 74 10.493 11.823 0.125 1.00 0.00 C ATOM 1185 C ASP A 74 9.881 11.756 -1.278 1.00 0.00 C ATOM 1186 O ASP A 74 8.925 12.443 -1.578 1.00 0.00 O ATOM 1187 CB ASP A 74 11.113 13.192 0.374 1.00 0.00 C ATOM 1188 CG ASP A 74 10.035 14.167 0.849 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.940 14.118 0.313 1.00 0.00 O ATOM 1190 OD2 ASP A 74 10.323 14.948 1.742 1.00 0.00 O ATOM 0 H ASP A 74 12.219 10.799 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 74 9.688 11.595 0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.902 13.114 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.576 13.564 -0.540 1.00 0.00 H new ATOM 1195 N SER A 75 10.415 10.933 -2.141 1.00 0.00 N ATOM 1196 CA SER A 75 9.849 10.830 -3.511 1.00 0.00 C ATOM 1197 C SER A 75 8.512 10.090 -3.449 1.00 0.00 C ATOM 1198 O SER A 75 8.478 8.898 -3.216 1.00 0.00 O ATOM 1199 CB SER A 75 10.878 10.023 -4.301 1.00 0.00 C ATOM 1200 OG SER A 75 10.444 9.898 -5.649 1.00 0.00 O ATOM 0 H SER A 75 11.217 10.330 -1.954 1.00 0.00 H new ATOM 0 HA SER A 75 9.663 11.801 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.850 10.516 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.004 9.037 -3.855 1.00 0.00 H new ATOM 0 HG SER A 75 11.103 9.382 -6.158 1.00 0.00 H new ATOM 1206 N PRO A 76 7.448 10.821 -3.648 1.00 0.00 N ATOM 1207 CA PRO A 76 6.103 10.215 -3.596 1.00 0.00 C ATOM 1208 C PRO A 76 6.086 8.925 -4.422 1.00 0.00 C ATOM 1209 O PRO A 76 6.484 8.911 -5.570 1.00 0.00 O ATOM 1210 CB PRO A 76 5.179 11.274 -4.208 1.00 0.00 C ATOM 1211 CG PRO A 76 6.054 12.432 -4.600 1.00 0.00 C ATOM 1212 CD PRO A 76 7.395 12.250 -3.941 1.00 0.00 C ATOM 0 HA PRO A 76 5.795 9.946 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.653 10.875 -5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.420 11.587 -3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.165 12.475 -5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.602 13.373 -4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.209 12.554 -4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.479 12.848 -3.033 1.00 0.00 H new ATOM 1220 N VAL A 77 5.648 7.835 -3.849 1.00 0.00 N ATOM 1221 CA VAL A 77 5.634 6.555 -4.618 1.00 0.00 C ATOM 1222 C VAL A 77 4.205 6.042 -4.835 1.00 0.00 C ATOM 1223 O VAL A 77 3.351 6.164 -3.980 1.00 0.00 O ATOM 1224 CB VAL A 77 6.429 5.574 -3.771 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.486 4.232 -4.492 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.848 6.108 -3.594 1.00 0.00 C ATOM 0 H VAL A 77 5.302 7.775 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 77 6.061 6.686 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 77 5.956 5.452 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.054 3.521 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.474 3.855 -4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.971 4.359 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.426 5.411 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.320 6.217 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.813 7.078 -3.098 1.00 0.00 H new ATOM 1236 N ASN A 78 3.950 5.462 -5.979 1.00 0.00 N ATOM 1237 CA ASN A 78 2.590 4.924 -6.276 1.00 0.00 C ATOM 1238 C ASN A 78 2.617 3.393 -6.201 1.00 0.00 C ATOM 1239 O ASN A 78 3.512 2.773 -6.739 1.00 0.00 O ATOM 1240 CB ASN A 78 2.306 5.362 -7.711 1.00 0.00 C ATOM 1241 CG ASN A 78 2.709 6.827 -7.894 1.00 0.00 C ATOM 1242 OD1 ASN A 78 3.879 7.140 -7.989 1.00 0.00 O ATOM 1243 ND2 ASN A 78 1.782 7.744 -7.947 1.00 0.00 N ATOM 0 H ASN A 78 4.633 5.337 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 78 1.836 5.280 -5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.858 4.733 -8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.247 5.235 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.040 8.723 -8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.800 7.481 -7.867 1.00 0.00 H new ATOM 1250 N ILE A 79 1.669 2.751 -5.555 1.00 0.00 N ATOM 1251 CA ILE A 79 1.743 1.261 -5.518 1.00 0.00 C ATOM 1252 C ILE A 79 0.538 0.626 -6.208 1.00 0.00 C ATOM 1253 O ILE A 79 -0.598 0.812 -5.822 1.00 0.00 O ATOM 1254 CB ILE A 79 1.794 0.882 -4.042 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.892 1.705 -3.349 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.111 -0.609 -3.938 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.275 1.055 -2.018 1.00 0.00 C ATOM 0 H ILE A 79 0.879 3.177 -5.071 1.00 0.00 H new ATOM 0 HA ILE A 79 2.620 0.897 -6.053 1.00 0.00 H new ATOM 0 HB ILE A 79 0.839 1.088 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.768 1.774 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.541 2.723 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.152 -0.900 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.334 -1.182 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.074 -0.810 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.053 1.646 -1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.400 1.009 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.645 0.046 -2.199 1.00 0.00 H new ATOM 1269 N GLU A 80 0.803 -0.137 -7.231 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.282 -0.820 -7.983 1.00 0.00 C ATOM 1271 C GLU A 80 -0.456 -2.244 -7.446 1.00 0.00 C ATOM 1272 O GLU A 80 0.401 -3.087 -7.620 1.00 0.00 O ATOM 1273 CB GLU A 80 0.212 -0.846 -9.430 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.803 -1.584 -10.301 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.469 -0.598 -11.263 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.184 0.584 -11.162 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.251 -1.043 -12.086 1.00 0.00 O ATOM 0 H GLU A 80 1.743 -0.318 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.246 -0.320 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.351 0.171 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.182 -1.340 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.307 -2.376 -10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.556 -2.061 -9.674 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.547 -2.519 -6.785 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.747 -3.890 -6.232 1.00 0.00 C ATOM 1286 C ALA A 81 -3.082 -4.476 -6.690 1.00 0.00 C ATOM 1287 O ALA A 81 -4.038 -3.766 -6.926 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.729 -3.708 -4.710 1.00 0.00 C ATOM 0 H ALA A 81 -2.304 -1.860 -6.604 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.977 -4.582 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.871 -4.674 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.771 -3.286 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.533 -3.033 -4.415 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.151 -5.773 -6.819 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.424 -6.413 -7.260 1.00 0.00 C ATOM 1296 C GLU A 82 -5.155 -7.016 -6.057 1.00 0.00 C ATOM 1297 O GLU A 82 -4.802 -8.078 -5.583 1.00 0.00 O ATOM 1298 CB GLU A 82 -3.996 -7.511 -8.233 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.186 -8.425 -8.530 1.00 0.00 C ATOM 1300 CD GLU A 82 -6.348 -7.590 -9.073 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -6.274 -7.185 -10.222 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -7.291 -7.371 -8.332 1.00 0.00 O ATOM 0 H GLU A 82 -2.381 -6.417 -6.638 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.108 -5.701 -7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.625 -7.068 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.177 -8.090 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.901 -9.186 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.492 -8.947 -7.624 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.154 -6.309 -5.604 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.949 -6.773 -4.441 1.00 0.00 C ATOM 1311 C PRO A 83 -7.730 -8.040 -4.799 1.00 0.00 C ATOM 1312 O PRO A 83 -8.189 -8.193 -5.914 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.901 -5.613 -4.155 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.933 -4.800 -5.411 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.629 -5.026 -6.127 1.00 0.00 C ATOM 0 HA PRO A 83 -6.330 -7.026 -3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.896 -5.977 -3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.551 -5.018 -3.311 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.772 -5.098 -6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.066 -3.743 -5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.768 -5.063 -7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.918 -4.225 -5.924 1.00 0.00 H new ATOM 1323 N PRO A 84 -7.853 -8.907 -3.834 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.588 -10.179 -4.042 1.00 0.00 C ATOM 1325 C PRO A 84 -10.058 -9.897 -4.368 1.00 0.00 C ATOM 1326 O PRO A 84 -10.487 -10.025 -5.497 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.459 -10.911 -2.704 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.034 -9.872 -1.712 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.327 -8.785 -2.474 1.00 0.00 C ATOM 0 HA PRO A 84 -8.194 -10.763 -4.874 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.406 -11.365 -2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -7.726 -11.715 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.898 -9.470 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.374 -10.306 -0.961 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.535 -7.802 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.246 -8.920 -2.451 1.00 0.00 H new ATOM 1387 N TYR A 89 -7.943 -3.748 2.682 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.209 -2.578 3.245 1.00 0.00 C ATOM 1389 C TYR A 89 -5.765 -2.569 2.740 1.00 0.00 C ATOM 1390 O TYR A 89 -4.952 -3.376 3.143 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.241 -2.770 4.762 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.622 -3.200 5.194 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -8.992 -4.548 5.118 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.535 -2.251 5.671 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.273 -4.948 5.518 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.815 -2.650 6.072 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.184 -3.998 5.995 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.446 -4.392 6.391 1.00 0.00 O ATOM 0 HA TYR A 89 -7.660 -1.631 2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.507 -3.520 5.058 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.967 -1.841 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.289 -5.280 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.251 -1.211 5.729 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.558 -5.988 5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.518 -1.918 6.441 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.952 -3.610 6.697 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.438 -1.658 1.866 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.044 -1.597 1.345 1.00 0.00 C ATOM 1410 C ILE A 90 -3.122 -1.021 2.421 1.00 0.00 C ATOM 1411 O ILE A 90 -3.170 0.154 2.730 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.115 -0.665 0.134 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.683 -1.431 -1.063 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.712 -0.157 -0.209 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.090 -0.917 -1.376 1.00 0.00 C ATOM 0 H ILE A 90 -6.074 -0.955 1.491 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.650 -2.577 1.074 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.759 0.182 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.036 -1.303 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.714 -2.498 -0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.766 0.507 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.304 0.388 0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.066 -1.003 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.495 -1.462 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.734 -1.068 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.045 0.146 -1.613 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.286 -1.838 3.002 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.373 -1.331 4.062 1.00 0.00 C ATOM 1429 C ILE A 91 -0.040 -0.895 3.454 1.00 0.00 C ATOM 1430 O ILE A 91 0.469 -1.509 2.536 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.168 -2.507 5.012 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.506 -2.883 5.654 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.174 -2.110 6.104 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.630 -4.406 5.722 1.00 0.00 C ATOM 0 H ILE A 91 -2.197 -2.831 2.788 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.786 -0.462 4.574 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.779 -3.360 4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.573 -2.457 6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.329 -2.466 5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.026 -2.949 6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.779 -1.840 5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.565 -1.257 6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.583 -4.673 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.582 -4.820 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.814 -4.811 6.320 1.00 0.00 H new ATOM 1446 N ILE A 92 0.524 0.165 3.961 1.00 0.00 N ATOM 1447 CA ILE A 92 1.824 0.658 3.424 1.00 0.00 C ATOM 1448 C ILE A 92 2.805 0.878 4.580 1.00 0.00 C ATOM 1449 O ILE A 92 2.443 1.393 5.617 1.00 0.00 O ATOM 1450 CB ILE A 92 1.468 1.982 2.733 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.258 1.733 1.240 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.590 3.011 2.918 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.358 2.828 0.668 1.00 0.00 C ATOM 0 H ILE A 92 0.139 0.715 4.729 1.00 0.00 H new ATOM 0 HA ILE A 92 2.303 -0.040 2.737 1.00 0.00 H new ATOM 0 HB ILE A 92 0.555 2.374 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.217 1.727 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.805 0.754 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.316 3.941 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.740 3.199 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.513 2.625 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.206 2.654 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.604 2.812 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.830 3.800 0.813 1.00 0.00 H new ATOM 1465 N GLY A 93 4.042 0.502 4.416 1.00 0.00 N ATOM 1466 CA GLY A 93 5.012 0.711 5.518 1.00 0.00 C ATOM 1467 C GLY A 93 4.943 -0.474 6.474 1.00 0.00 C ATOM 1468 O GLY A 93 4.449 -1.531 6.138 1.00 0.00 O ATOM 0 H GLY A 93 4.418 0.064 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.021 0.813 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.785 1.636 6.048 1.00 0.00 H new ATOM 1472 N VAL A 94 5.438 -0.310 7.660 1.00 0.00 N ATOM 1473 CA VAL A 94 5.404 -1.434 8.633 1.00 0.00 C ATOM 1474 C VAL A 94 4.652 -1.017 9.889 1.00 0.00 C ATOM 1475 O VAL A 94 4.669 0.135 10.269 1.00 0.00 O ATOM 1476 CB VAL A 94 6.872 -1.747 8.952 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.350 -2.858 8.017 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.742 -0.501 8.737 1.00 0.00 C ATOM 0 H VAL A 94 5.865 0.551 8.002 1.00 0.00 H new ATOM 0 HA VAL A 94 4.890 -2.308 8.232 1.00 0.00 H new ATOM 0 HB VAL A 94 6.956 -2.060 9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.393 -3.091 8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.740 -3.749 8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.258 -2.527 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.781 -0.738 8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.665 -0.178 7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.399 0.300 9.392 1.00 0.00 H new ATOM 1488 N GLU A 95 3.990 -1.961 10.522 1.00 0.00 N ATOM 1489 CA GLU A 95 3.207 -1.678 11.772 1.00 0.00 C ATOM 1490 C GLU A 95 3.633 -0.357 12.420 1.00 0.00 C ATOM 1491 O GLU A 95 2.820 0.527 12.599 1.00 0.00 O ATOM 1492 CB GLU A 95 3.521 -2.849 12.703 1.00 0.00 C ATOM 1493 CG GLU A 95 2.360 -3.845 12.679 1.00 0.00 C ATOM 1494 CD GLU A 95 2.003 -4.249 14.110 1.00 0.00 C ATOM 1495 OE1 GLU A 95 2.243 -3.456 15.005 1.00 0.00 O ATOM 1496 OE2 GLU A 95 1.497 -5.344 14.286 1.00 0.00 O ATOM 0 H GLU A 95 3.959 -2.934 10.219 1.00 0.00 H new ATOM 0 HA GLU A 95 2.142 -1.580 11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.442 -3.340 12.389 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.683 -2.487 13.718 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.494 -3.399 12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.635 -4.726 12.099 1.00 0.00 H new ATOM 1503 N PRO A 96 4.898 -0.270 12.745 1.00 0.00 N ATOM 1504 CA PRO A 96 5.456 0.960 13.374 1.00 0.00 C ATOM 1505 C PRO A 96 5.126 2.227 12.564 1.00 0.00 C ATOM 1506 O PRO A 96 5.995 2.834 11.970 1.00 0.00 O ATOM 1507 CB PRO A 96 6.972 0.712 13.379 1.00 0.00 C ATOM 1508 CG PRO A 96 7.193 -0.493 12.522 1.00 0.00 C ATOM 1509 CD PRO A 96 5.931 -1.297 12.580 1.00 0.00 C ATOM 0 HA PRO A 96 5.038 1.132 14.366 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.510 1.575 12.986 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.337 0.543 14.392 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.420 -0.202 11.496 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.040 -1.075 12.884 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.781 -1.879 11.671 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.938 -2.001 13.412 1.00 0.00 H new ATOM 1517 N GLY A 97 3.887 2.650 12.558 1.00 0.00 N ATOM 1518 CA GLY A 97 3.522 3.894 11.814 1.00 0.00 C ATOM 1519 C GLY A 97 3.097 3.568 10.379 1.00 0.00 C ATOM 1520 O GLY A 97 2.810 4.451 9.594 1.00 0.00 O ATOM 0 H GLY A 97 3.113 2.188 13.036 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.710 4.406 12.330 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.372 4.577 11.800 1.00 0.00 H new ATOM 1524 N GLN A 98 3.051 2.316 10.025 1.00 0.00 N ATOM 1525 CA GLN A 98 2.642 1.947 8.637 1.00 0.00 C ATOM 1526 C GLN A 98 1.311 2.628 8.276 1.00 0.00 C ATOM 1527 O GLN A 98 0.553 3.024 9.138 1.00 0.00 O ATOM 1528 CB GLN A 98 2.522 0.412 8.684 1.00 0.00 C ATOM 1529 CG GLN A 98 1.150 -0.068 8.189 1.00 0.00 C ATOM 1530 CD GLN A 98 0.948 -1.527 8.600 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.142 -1.922 8.964 1.00 0.00 O ATOM 1532 NE2 GLN A 98 1.959 -2.351 8.557 1.00 0.00 N ATOM 0 H GLN A 98 3.278 1.530 10.634 1.00 0.00 H new ATOM 0 HA GLN A 98 3.348 2.270 7.872 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.306 -0.033 8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.681 0.066 9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.360 0.554 8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.087 0.029 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.874 -2.020 8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.834 -3.326 8.829 1.00 0.00 H new ATOM 1541 N LEU A 99 1.023 2.760 7.007 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.256 3.408 6.595 1.00 0.00 C ATOM 1543 C LEU A 99 -1.324 2.345 6.313 1.00 0.00 C ATOM 1544 O LEU A 99 -1.056 1.159 6.337 1.00 0.00 O ATOM 1545 CB LEU A 99 0.083 4.177 5.319 1.00 0.00 C ATOM 1546 CG LEU A 99 0.293 5.653 5.656 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.843 6.380 4.429 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -1.042 6.281 6.061 1.00 0.00 C ATOM 0 H LEU A 99 1.618 2.447 6.240 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.656 4.060 7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.983 3.766 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.722 4.070 4.592 1.00 0.00 H new ATOM 0 HG LEU A 99 1.000 5.740 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.994 7.433 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.794 5.934 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.134 6.292 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.891 7.333 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.750 6.195 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.438 5.763 6.934 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.531 2.763 6.044 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.619 1.782 5.761 1.00 0.00 C ATOM 1562 C LYS A 100 -4.681 2.412 4.856 1.00 0.00 C ATOM 1563 O LYS A 100 -4.996 3.580 4.972 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.212 1.450 7.127 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.112 -0.056 7.375 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.976 -0.433 8.580 1.00 0.00 C ATOM 1567 CE LYS A 100 -4.446 0.274 9.830 1.00 0.00 C ATOM 1568 NZ LYS A 100 -5.194 -0.337 10.963 1.00 0.00 N ATOM 0 H LYS A 100 -2.812 3.743 6.008 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.251 0.895 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.680 1.994 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.254 1.768 7.170 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.442 -0.603 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.075 -0.338 7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.013 -0.149 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.963 -1.513 8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.372 0.127 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.617 1.349 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.886 0.097 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.213 -0.175 10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.006 -1.360 10.992 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.236 1.649 3.954 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.279 2.206 3.043 1.00 0.00 C ATOM 1584 C LEU A 101 -7.342 1.145 2.744 1.00 0.00 C ATOM 1585 O LEU A 101 -7.076 0.147 2.105 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.527 2.588 1.768 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.770 3.898 1.994 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.400 3.597 2.607 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.582 4.615 0.656 1.00 0.00 C ATOM 0 H LEU A 101 -5.013 0.664 3.808 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.798 3.059 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.830 1.796 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.227 2.699 0.940 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.340 4.534 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.860 4.530 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.532 3.085 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.830 2.961 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.043 5.549 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.012 3.978 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.557 4.830 0.218 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.547 1.355 3.202 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.629 0.360 2.946 1.00 0.00 C ATOM 1603 C ASN A 102 -10.185 0.531 1.529 1.00 0.00 C ATOM 1604 O ASN A 102 -10.508 1.623 1.105 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.707 0.673 3.984 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.990 -0.081 3.631 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -13.007 0.523 3.355 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -11.985 -1.386 3.630 1.00 0.00 N ATOM 0 H ASN A 102 -8.829 2.173 3.743 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.271 -0.667 3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.365 0.384 4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.899 1.746 4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.835 -1.899 3.397 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.131 -1.893 3.862 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.300 -0.542 0.792 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.836 -0.439 -0.595 1.00 0.00 C ATOM 1617 C TRP A 103 -11.987 -1.430 -0.792 1.00 0.00 C ATOM 1618 O TRP A 103 -11.837 -2.619 -0.588 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.660 -0.796 -1.504 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.928 -0.290 -2.885 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.066 -1.066 -3.984 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.091 1.087 -3.334 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.305 -0.253 -5.079 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.330 1.081 -4.728 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.057 2.328 -2.671 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.527 2.265 -5.441 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.255 3.521 -3.386 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.489 3.489 -4.768 1.00 0.00 C ATOM 0 H TRP A 103 -10.046 -1.484 1.091 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.231 0.554 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.740 -0.358 -1.116 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.515 -1.876 -1.522 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.000 -2.144 -4.004 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.445 -0.598 -6.029 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.878 2.363 -1.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.708 2.235 -6.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.227 4.468 -2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.640 4.410 -5.312 1.00 0.00 H new