USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 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 20 GLN : amide:sc= 1.54 K(o=2.7,f=-3.5!) USER MOD Set 1.2: A 88 TYR OH : rot -29:sc= 1.18 USER MOD Set 2.1: A 56 THR OG1 : rot -75:sc= 1.24 USER MOD Set 2.2: A 71 ASN : amide:sc= 2.16 K(o=3.4,f=-3.8!) USER MOD Set 3.1: A 41 THR OG1 : rot 3:sc= 1.81 USER MOD Set 3.2: A 55 TYR OH : rot -126:sc= 1.22 USER MOD Set 4.1: A 49 HIS : no HE2:sc= 0.685 K(o=0.86,f=-1.9!) USER MOD Set 4.2: A 51 GLN : amide:sc= 0.178 K(o=0.86,f=0.28) USER MOD Set 5.1: A 31 SER OG : rot -129:sc= 1.25 USER MOD Set 5.2: A 33 GLN : amide:sc= 0.86 K(o=2.2,f=-1.8!) USER MOD Set 5.3: A 34 GLN : amide:sc= 0.118 K(o=2.2,f=-1.8) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.604 K(o=0.6,f=0) USER MOD Single : A 27 GLN : amide:sc=-0.00579 X(o=-0.0058,f=-0.0058) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 32 LYS NZ :NH3+ -133:sc= 3.14 (180deg=-1.55) USER MOD Single : A 36 SER OG : rot -169:sc= 1.11 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= 0.251 (180deg=0.182) USER MOD Single : A 73 THR OG1 : rot -128:sc= 0.974 USER MOD Single : A 78 ASN : amide:sc= 0.66 K(o=0.66,f=-5!) USER MOD Single : A 80 GLN : amide:sc= 1.41 K(o=1.4,f=-8.3!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 2.947 -1.151 0.156 1.00 0.00 N ATOM 265 CA ILE A 18 1.687 -0.554 0.697 1.00 0.00 C ATOM 266 C ILE A 18 1.112 -1.536 1.774 1.00 0.00 C ATOM 267 O ILE A 18 0.532 -2.574 1.438 1.00 0.00 O ATOM 268 CB ILE A 18 0.710 -0.249 -0.494 1.00 0.00 C ATOM 269 CG1 ILE A 18 1.127 1.026 -1.285 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.782 -0.197 -0.112 1.00 0.00 C ATOM 271 CD1 ILE A 18 0.683 2.383 -0.737 1.00 0.00 C ATOM 0 HA ILE A 18 1.855 0.401 1.194 1.00 0.00 H new ATOM 0 HB ILE A 18 0.813 -1.114 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.215 1.034 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.740 0.932 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.377 0.019 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.085 -1.158 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.940 0.585 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.046 3.176 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.406 2.419 -0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.092 2.523 0.264 1.00 0.00 H new ATOM 283 N LYS A 19 1.287 -1.180 3.051 1.00 0.00 N ATOM 284 CA LYS A 19 0.655 -1.873 4.189 1.00 0.00 C ATOM 285 C LYS A 19 0.502 -0.882 5.383 1.00 0.00 C ATOM 286 O LYS A 19 1.394 -0.076 5.664 1.00 0.00 O ATOM 287 CB LYS A 19 1.434 -3.127 4.677 1.00 0.00 C ATOM 288 CG LYS A 19 1.149 -4.378 3.834 1.00 0.00 C ATOM 289 CD LYS A 19 1.564 -5.677 4.547 1.00 0.00 C ATOM 290 CE LYS A 19 1.103 -6.915 3.757 1.00 0.00 C ATOM 291 NZ LYS A 19 1.886 -8.115 4.163 1.00 0.00 N ATOM 0 H LYS A 19 1.876 -0.396 3.331 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.314 -2.221 3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.503 -2.916 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.172 -3.329 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.085 -4.420 3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.681 -4.302 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.647 -5.700 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.133 -5.700 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.041 -7.090 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.226 -6.738 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.562 -8.941 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.895 -7.951 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.748 -8.292 5.178 1.00 0.00 H new ATOM 305 N GLN A 20 -0.573 -1.070 6.161 1.00 0.00 N ATOM 306 CA GLN A 20 -0.791 -0.354 7.452 1.00 0.00 C ATOM 307 C GLN A 20 0.136 -0.855 8.633 1.00 0.00 C ATOM 308 O GLN A 20 -0.309 -1.328 9.681 1.00 0.00 O ATOM 309 CB GLN A 20 -2.305 -0.486 7.779 1.00 0.00 C ATOM 310 CG GLN A 20 -2.895 0.717 8.551 1.00 0.00 C ATOM 311 CD GLN A 20 -3.324 1.860 7.632 1.00 0.00 C ATOM 312 OE1 GLN A 20 -2.516 2.482 6.949 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.602 2.134 7.537 1.00 0.00 N ATOM 0 H GLN A 20 -1.323 -1.720 5.924 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.504 0.692 7.344 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.857 -0.611 6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.461 -1.391 8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.754 0.383 9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.154 1.086 9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.277 1.620 8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.921 2.862 6.897 1.00 0.00 H new ATOM 322 N ASN A 21 1.446 -0.762 8.382 1.00 0.00 N ATOM 323 CA ASN A 21 2.528 -1.354 9.207 1.00 0.00 C ATOM 324 C ASN A 21 3.922 -0.968 8.594 1.00 0.00 C ATOM 325 O ASN A 21 4.737 -0.369 9.297 1.00 0.00 O ATOM 326 CB ASN A 21 2.393 -2.886 9.438 1.00 0.00 C ATOM 327 CG ASN A 21 2.361 -3.258 10.916 1.00 0.00 C ATOM 328 OD1 ASN A 21 3.377 -3.590 11.518 1.00 0.00 O ATOM 329 ND2 ASN A 21 1.218 -3.168 11.553 1.00 0.00 N ATOM 0 H ASN A 21 1.805 -0.256 7.572 1.00 0.00 H new ATOM 0 HA ASN A 21 2.439 -0.928 10.206 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.482 -3.243 8.958 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.227 -3.397 8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.173 -3.374 12.551 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.374 -2.892 11.050 1.00 0.00 H new ATOM 336 N ALA A 22 4.191 -1.289 7.312 1.00 0.00 N ATOM 337 CA ALA A 22 5.317 -0.680 6.551 1.00 0.00 C ATOM 338 C ALA A 22 5.181 0.846 6.236 1.00 0.00 C ATOM 339 O ALA A 22 6.162 1.575 6.389 1.00 0.00 O ATOM 340 CB ALA A 22 5.494 -1.500 5.265 1.00 0.00 C ATOM 0 H ALA A 22 3.648 -1.966 6.776 1.00 0.00 H new ATOM 0 HA ALA A 22 6.199 -0.720 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.313 -1.084 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.721 -2.535 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.574 -1.464 4.681 1.00 0.00 H new ATOM 346 N VAL A 23 3.987 1.328 5.858 1.00 0.00 N ATOM 347 CA VAL A 23 3.686 2.791 5.743 1.00 0.00 C ATOM 348 C VAL A 23 3.703 3.558 7.116 1.00 0.00 C ATOM 349 O VAL A 23 4.217 4.676 7.174 1.00 0.00 O ATOM 350 CB VAL A 23 2.368 2.999 4.932 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.000 4.488 4.747 1.00 0.00 C ATOM 352 CG2 VAL A 23 2.448 2.405 3.507 1.00 0.00 C ATOM 0 H VAL A 23 3.196 0.729 5.621 1.00 0.00 H new ATOM 0 HA VAL A 23 4.503 3.251 5.187 1.00 0.00 H new ATOM 0 HB VAL A 23 1.614 2.487 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.075 4.566 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.864 4.953 5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.801 4.997 4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.505 2.578 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.258 2.885 2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.637 1.333 3.570 1.00 0.00 H new ATOM 362 N GLU A 24 3.215 2.948 8.206 1.00 0.00 N ATOM 363 CA GLU A 24 3.577 3.352 9.600 1.00 0.00 C ATOM 364 C GLU A 24 5.100 3.447 9.914 1.00 0.00 C ATOM 365 O GLU A 24 5.536 4.460 10.468 1.00 0.00 O ATOM 366 CB GLU A 24 2.756 2.404 10.510 1.00 0.00 C ATOM 367 CG GLU A 24 3.113 2.293 12.006 1.00 0.00 C ATOM 368 CD GLU A 24 3.833 0.996 12.374 1.00 0.00 C ATOM 369 OE1 GLU A 24 3.162 -0.053 12.467 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.071 0.983 12.538 1.00 0.00 O ATOM 0 H GLU A 24 2.562 2.165 8.162 1.00 0.00 H new ATOM 0 HA GLU A 24 3.316 4.395 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.712 2.711 10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.821 1.403 10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.743 3.138 12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.199 2.370 12.595 1.00 0.00 H new ATOM 377 N GLN A 25 5.901 2.437 9.539 1.00 0.00 N ATOM 378 CA GLN A 25 7.370 2.462 9.749 1.00 0.00 C ATOM 379 C GLN A 25 8.163 3.468 8.879 1.00 0.00 C ATOM 380 O GLN A 25 9.117 4.042 9.409 1.00 0.00 O ATOM 381 CB GLN A 25 7.914 1.017 9.611 1.00 0.00 C ATOM 382 CG GLN A 25 9.314 0.773 10.211 1.00 0.00 C ATOM 383 CD GLN A 25 10.518 0.843 9.286 1.00 0.00 C ATOM 384 OE1 GLN A 25 11.021 -0.170 8.815 1.00 0.00 O ATOM 385 NE2 GLN A 25 11.092 1.995 9.048 1.00 0.00 N ATOM 0 H GLN A 25 5.561 1.588 9.087 1.00 0.00 H new ATOM 0 HA GLN A 25 7.531 2.843 10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.210 0.335 10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.941 0.758 8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.465 1.501 11.008 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.309 -0.213 10.676 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.692 2.852 9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.939 2.035 8.481 1.00 0.00 H new ATOM 394 N LEU A 26 7.840 3.653 7.582 1.00 0.00 N ATOM 395 CA LEU A 26 8.682 4.460 6.650 1.00 0.00 C ATOM 396 C LEU A 26 9.123 5.887 7.081 1.00 0.00 C ATOM 397 O LEU A 26 10.253 6.268 6.771 1.00 0.00 O ATOM 398 CB LEU A 26 8.171 4.354 5.192 1.00 0.00 C ATOM 399 CG LEU A 26 6.801 4.934 4.805 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.755 6.450 4.609 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.343 4.296 3.472 1.00 0.00 C ATOM 0 H LEU A 26 7.005 3.258 7.149 1.00 0.00 H new ATOM 0 HA LEU A 26 9.653 3.969 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.915 4.831 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.159 3.296 4.931 1.00 0.00 H new ATOM 0 HG LEU A 26 6.153 4.703 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.743 6.751 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.046 6.946 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.443 6.735 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.372 4.702 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.071 4.520 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.264 3.216 3.594 1.00 0.00 H new ATOM 413 N GLN A 27 8.267 6.630 7.811 1.00 0.00 N ATOM 414 CA GLN A 27 8.640 7.911 8.489 1.00 0.00 C ATOM 415 C GLN A 27 9.381 8.981 7.620 1.00 0.00 C ATOM 416 O GLN A 27 10.406 9.544 8.016 1.00 0.00 O ATOM 417 CB GLN A 27 9.324 7.550 9.835 1.00 0.00 C ATOM 418 CG GLN A 27 9.313 8.648 10.917 1.00 0.00 C ATOM 419 CD GLN A 27 7.939 9.001 11.469 1.00 0.00 C ATOM 420 OE1 GLN A 27 7.280 9.931 11.016 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.445 8.278 12.446 1.00 0.00 N ATOM 0 H GLN A 27 7.292 6.367 7.954 1.00 0.00 H new ATOM 0 HA GLN A 27 7.724 8.469 8.684 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.836 6.664 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.360 7.279 9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.947 8.328 11.743 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.762 9.550 10.501 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.985 7.502 12.830 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.521 8.492 12.822 1.00 0.00 H new ATOM 430 N VAL A 28 8.840 9.249 6.423 1.00 0.00 N ATOM 431 CA VAL A 28 9.499 10.118 5.413 1.00 0.00 C ATOM 432 C VAL A 28 8.957 11.574 5.567 1.00 0.00 C ATOM 433 O VAL A 28 7.747 11.809 5.524 1.00 0.00 O ATOM 434 CB VAL A 28 9.274 9.539 3.970 1.00 0.00 C ATOM 435 CG1 VAL A 28 9.842 10.446 2.851 1.00 0.00 C ATOM 436 CG2 VAL A 28 9.951 8.159 3.771 1.00 0.00 C ATOM 0 H VAL A 28 7.940 8.877 6.120 1.00 0.00 H new ATOM 0 HA VAL A 28 10.577 10.142 5.575 1.00 0.00 H new ATOM 0 HB VAL A 28 8.189 9.466 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.653 9.988 1.880 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.357 11.422 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.916 10.568 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.764 7.805 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.025 8.254 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.540 7.446 4.486 1.00 0.00 H new ATOM 446 N GLY A 29 9.884 12.534 5.669 1.00 0.00 N ATOM 447 CA GLY A 29 9.584 13.969 5.454 1.00 0.00 C ATOM 448 C GLY A 29 10.635 14.655 4.565 1.00 0.00 C ATOM 449 O GLY A 29 11.354 15.537 5.033 1.00 0.00 O ATOM 0 H GLY A 29 10.860 12.348 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.601 14.068 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.538 14.477 6.417 1.00 0.00 H new ATOM 453 N GLN A 30 10.735 14.215 3.299 1.00 0.00 N ATOM 454 CA GLN A 30 11.926 14.492 2.449 1.00 0.00 C ATOM 455 C GLN A 30 11.534 14.846 0.988 1.00 0.00 C ATOM 456 O GLN A 30 11.821 15.964 0.558 1.00 0.00 O ATOM 457 CB GLN A 30 12.879 13.267 2.566 1.00 0.00 C ATOM 458 CG GLN A 30 14.238 13.432 1.854 1.00 0.00 C ATOM 459 CD GLN A 30 15.060 12.147 1.848 1.00 0.00 C ATOM 460 OE1 GLN A 30 14.869 11.261 1.020 1.00 0.00 O ATOM 461 NE2 GLN A 30 15.994 11.994 2.754 1.00 0.00 N ATOM 0 H GLN A 30 10.012 13.666 2.834 1.00 0.00 H new ATOM 0 HA GLN A 30 12.450 15.381 2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.060 13.065 3.622 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.374 12.392 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.068 13.755 0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.808 14.220 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.159 12.726 3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.556 11.143 2.768 1.00 0.00 H new ATOM 470 N SER A 31 10.956 13.901 0.222 1.00 0.00 N ATOM 471 CA SER A 31 10.742 14.076 -1.233 1.00 0.00 C ATOM 472 C SER A 31 9.496 13.290 -1.742 1.00 0.00 C ATOM 473 O SER A 31 9.298 12.104 -1.449 1.00 0.00 O ATOM 474 CB SER A 31 12.007 13.641 -2.015 1.00 0.00 C ATOM 475 OG SER A 31 11.842 13.891 -3.410 1.00 0.00 O ATOM 0 H SER A 31 10.627 13.006 0.585 1.00 0.00 H new ATOM 0 HA SER A 31 10.553 15.135 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.876 14.183 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.197 12.581 -1.849 1.00 0.00 H new ATOM 0 HG SER A 31 12.061 13.081 -3.916 1.00 0.00 H new ATOM 481 N LYS A 32 8.725 13.973 -2.595 1.00 0.00 N ATOM 482 CA LYS A 32 7.573 13.404 -3.330 1.00 0.00 C ATOM 483 C LYS A 32 7.843 12.169 -4.237 1.00 0.00 C ATOM 484 O LYS A 32 7.087 11.194 -4.186 1.00 0.00 O ATOM 485 CB LYS A 32 6.839 14.553 -4.082 1.00 0.00 C ATOM 486 CG LYS A 32 7.648 15.364 -5.122 1.00 0.00 C ATOM 487 CD LYS A 32 6.746 16.307 -5.934 1.00 0.00 C ATOM 488 CE LYS A 32 7.519 17.292 -6.835 1.00 0.00 C ATOM 489 NZ LYS A 32 7.911 18.536 -6.119 1.00 0.00 N ATOM 0 H LYS A 32 8.882 14.959 -2.803 1.00 0.00 H new ATOM 0 HA LYS A 32 6.930 12.964 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.975 14.123 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.456 15.250 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.417 15.945 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.161 14.680 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.079 15.710 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.119 16.875 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.413 16.802 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.903 17.552 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.674 19.363 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.399 18.593 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.935 18.523 -5.936 1.00 0.00 H new ATOM 503 N GLN A 33 8.929 12.206 -5.020 1.00 0.00 N ATOM 504 CA GLN A 33 9.412 11.033 -5.783 1.00 0.00 C ATOM 505 C GLN A 33 10.023 9.865 -4.963 1.00 0.00 C ATOM 506 O GLN A 33 9.871 8.726 -5.400 1.00 0.00 O ATOM 507 CB GLN A 33 10.295 11.486 -6.968 1.00 0.00 C ATOM 508 CG GLN A 33 11.550 12.339 -6.721 1.00 0.00 C ATOM 509 CD GLN A 33 12.709 11.769 -5.926 1.00 0.00 C ATOM 510 OE1 GLN A 33 13.121 12.339 -4.920 1.00 0.00 O ATOM 511 NE2 GLN A 33 13.288 10.661 -6.326 1.00 0.00 N ATOM 0 H GLN A 33 9.499 13.042 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 33 8.510 10.563 -6.174 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.615 10.586 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.655 12.044 -7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.939 12.633 -7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.229 13.251 -6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.951 10.182 -7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.075 10.279 -5.802 1.00 0.00 H new ATOM 520 N GLN A 34 10.653 10.101 -3.799 1.00 0.00 N ATOM 521 CA GLN A 34 11.147 9.004 -2.927 1.00 0.00 C ATOM 522 C GLN A 34 10.009 8.138 -2.311 1.00 0.00 C ATOM 523 O GLN A 34 10.042 6.919 -2.490 1.00 0.00 O ATOM 524 CB GLN A 34 12.077 9.534 -1.808 1.00 0.00 C ATOM 525 CG GLN A 34 13.431 10.107 -2.256 1.00 0.00 C ATOM 526 CD GLN A 34 14.411 9.127 -2.874 1.00 0.00 C ATOM 527 OE1 GLN A 34 14.464 8.945 -4.086 1.00 0.00 O ATOM 528 NE2 GLN A 34 15.227 8.476 -2.081 1.00 0.00 N ATOM 0 H GLN A 34 10.835 11.036 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 34 11.721 8.353 -3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.543 10.310 -1.259 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.266 8.721 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.243 10.902 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.909 10.568 -1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.185 8.625 -1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.903 7.820 -2.472 1.00 0.00 H new ATOM 537 N VAL A 35 8.999 8.731 -1.642 1.00 0.00 N ATOM 538 CA VAL A 35 7.848 7.938 -1.110 1.00 0.00 C ATOM 539 C VAL A 35 6.981 7.225 -2.190 1.00 0.00 C ATOM 540 O VAL A 35 6.647 6.055 -1.996 1.00 0.00 O ATOM 541 CB VAL A 35 7.065 8.781 -0.063 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.150 9.865 -0.651 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.232 7.896 0.886 1.00 0.00 C ATOM 0 H VAL A 35 8.947 9.732 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 35 8.255 7.076 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 35 7.855 9.293 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.649 10.397 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.746 10.568 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.404 9.401 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.702 8.526 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.511 7.319 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.893 7.216 1.423 1.00 0.00 H new ATOM 553 N SER A 36 6.675 7.878 -3.327 1.00 0.00 N ATOM 554 CA SER A 36 5.968 7.204 -4.449 1.00 0.00 C ATOM 555 C SER A 36 6.795 6.127 -5.211 1.00 0.00 C ATOM 556 O SER A 36 6.246 5.060 -5.491 1.00 0.00 O ATOM 557 CB SER A 36 5.348 8.269 -5.379 1.00 0.00 C ATOM 558 OG SER A 36 4.146 7.760 -5.950 1.00 0.00 O ATOM 0 H SER A 36 6.900 8.858 -3.499 1.00 0.00 H new ATOM 0 HA SER A 36 5.171 6.609 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.139 9.180 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.053 8.534 -6.167 1.00 0.00 H new ATOM 0 HG SER A 36 3.847 8.356 -6.668 1.00 0.00 H new ATOM 564 N ALA A 37 8.097 6.338 -5.481 1.00 0.00 N ATOM 565 CA ALA A 37 8.984 5.267 -6.009 1.00 0.00 C ATOM 566 C ALA A 37 9.210 4.034 -5.078 1.00 0.00 C ATOM 567 O ALA A 37 9.167 2.905 -5.572 1.00 0.00 O ATOM 568 CB ALA A 37 10.327 5.907 -6.386 1.00 0.00 C ATOM 0 H ALA A 37 8.563 7.235 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 37 8.467 4.843 -6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.998 5.142 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.165 6.671 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.773 6.364 -5.503 1.00 0.00 H new ATOM 574 N LEU A 38 9.411 4.238 -3.763 1.00 0.00 N ATOM 575 CA LEU A 38 9.451 3.124 -2.775 1.00 0.00 C ATOM 576 C LEU A 38 8.107 2.338 -2.610 1.00 0.00 C ATOM 577 O LEU A 38 8.138 1.108 -2.555 1.00 0.00 O ATOM 578 CB LEU A 38 9.962 3.650 -1.405 1.00 0.00 C ATOM 579 CG LEU A 38 11.492 3.600 -1.181 1.00 0.00 C ATOM 580 CD1 LEU A 38 12.307 4.499 -2.113 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.794 4.011 0.276 1.00 0.00 C ATOM 0 H LEU A 38 9.549 5.161 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 38 10.149 2.391 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.633 4.683 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.481 3.072 -0.615 1.00 0.00 H new ATOM 0 HG LEU A 38 11.793 2.576 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.367 4.397 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.132 4.205 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.004 5.537 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.870 3.980 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.428 5.022 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.298 3.321 0.959 1.00 0.00 H new ATOM 593 N LEU A 39 6.961 3.023 -2.560 1.00 0.00 N ATOM 594 CA LEU A 39 5.626 2.371 -2.610 1.00 0.00 C ATOM 595 C LEU A 39 5.226 1.698 -3.969 1.00 0.00 C ATOM 596 O LEU A 39 4.587 0.643 -3.948 1.00 0.00 O ATOM 597 CB LEU A 39 4.580 3.434 -2.178 1.00 0.00 C ATOM 598 CG LEU A 39 4.641 3.841 -0.682 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.742 5.066 -0.446 1.00 0.00 C ATOM 600 CD2 LEU A 39 4.253 2.699 0.257 1.00 0.00 C ATOM 0 H LEU A 39 6.920 4.039 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 39 5.664 1.520 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.718 4.327 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.583 3.050 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 39 5.676 4.092 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.785 5.352 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.089 5.896 -1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.714 4.820 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.314 3.041 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.234 2.380 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.935 1.861 0.112 1.00 0.00 H new ATOM 612 N GLY A 40 5.600 2.303 -5.101 1.00 0.00 N ATOM 613 CA GLY A 40 5.376 1.742 -6.453 1.00 0.00 C ATOM 614 C GLY A 40 4.339 2.499 -7.297 1.00 0.00 C ATOM 615 O GLY A 40 3.284 1.954 -7.626 1.00 0.00 O ATOM 0 H GLY A 40 6.073 3.207 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.325 1.733 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.056 0.705 -6.353 1.00 0.00 H new ATOM 619 N THR A 41 4.619 3.766 -7.619 1.00 0.00 N ATOM 620 CA THR A 41 3.657 4.710 -8.267 1.00 0.00 C ATOM 621 C THR A 41 4.464 6.011 -8.678 1.00 0.00 C ATOM 622 O THR A 41 5.421 6.377 -7.988 1.00 0.00 O ATOM 623 CB THR A 41 2.479 5.013 -7.284 1.00 0.00 C ATOM 624 OG1 THR A 41 1.680 3.841 -7.111 1.00 0.00 O ATOM 625 CG2 THR A 41 1.487 6.071 -7.713 1.00 0.00 C ATOM 0 H THR A 41 5.531 4.187 -7.440 1.00 0.00 H new ATOM 0 HA THR A 41 3.211 4.281 -9.164 1.00 0.00 H new ATOM 0 HB THR A 41 2.999 5.367 -6.394 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.078 3.097 -7.610 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.722 6.185 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.005 7.020 -7.853 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.018 5.772 -8.650 1.00 0.00 H new ATOM 633 N PRO A 42 4.117 6.777 -9.743 1.00 0.00 N ATOM 634 CA PRO A 42 4.680 8.160 -9.954 1.00 0.00 C ATOM 635 C PRO A 42 4.220 9.224 -8.911 1.00 0.00 C ATOM 636 O PRO A 42 3.341 8.983 -8.078 1.00 0.00 O ATOM 637 CB PRO A 42 4.229 8.461 -11.408 1.00 0.00 C ATOM 638 CG PRO A 42 2.941 7.628 -11.607 1.00 0.00 C ATOM 639 CD PRO A 42 3.211 6.338 -10.820 1.00 0.00 C ATOM 0 HA PRO A 42 5.759 8.206 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.037 9.525 -11.550 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.998 8.177 -12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.064 8.152 -11.227 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.757 7.422 -12.661 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.291 5.911 -10.422 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.672 5.574 -11.446 1.00 0.00 H new ATOM 647 N SER A 43 4.859 10.399 -8.916 1.00 0.00 N ATOM 648 CA SER A 43 4.454 11.541 -8.054 1.00 0.00 C ATOM 649 C SER A 43 3.639 12.623 -8.836 1.00 0.00 C ATOM 650 O SER A 43 2.981 12.324 -9.836 1.00 0.00 O ATOM 651 CB SER A 43 5.745 12.013 -7.328 1.00 0.00 C ATOM 652 OG SER A 43 6.609 12.808 -8.139 1.00 0.00 O ATOM 0 H SER A 43 5.666 10.596 -9.508 1.00 0.00 H new ATOM 0 HA SER A 43 3.729 11.258 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.464 12.586 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.294 11.138 -6.979 1.00 0.00 H new ATOM 0 HG SER A 43 7.397 13.070 -7.619 1.00 0.00 H new ATOM 658 N ILE A 44 3.671 13.876 -8.363 1.00 0.00 N ATOM 659 CA ILE A 44 3.126 15.046 -9.117 1.00 0.00 C ATOM 660 C ILE A 44 4.384 15.915 -9.470 1.00 0.00 C ATOM 661 O ILE A 44 4.805 16.692 -8.606 1.00 0.00 O ATOM 662 CB ILE A 44 2.026 15.813 -8.295 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.774 14.915 -8.060 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.582 17.103 -9.033 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.232 15.492 -7.066 1.00 0.00 C ATOM 0 H ILE A 44 4.069 14.121 -7.456 1.00 0.00 H new ATOM 0 HA ILE A 44 2.598 14.753 -10.024 1.00 0.00 H new ATOM 0 HB ILE A 44 2.468 16.076 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.273 14.753 -9.014 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.103 13.939 -7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.821 17.615 -8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.441 17.760 -9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.171 16.841 -10.008 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.073 14.806 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.250 15.628 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.592 16.454 -7.430 1.00 0.00 H new ATOM 677 N PRO A 45 5.032 15.817 -10.666 1.00 0.00 N ATOM 678 CA PRO A 45 6.365 16.472 -10.905 1.00 0.00 C ATOM 679 C PRO A 45 6.336 17.976 -11.293 1.00 0.00 C ATOM 680 O PRO A 45 6.802 18.379 -12.362 1.00 0.00 O ATOM 681 CB PRO A 45 6.983 15.530 -11.976 1.00 0.00 C ATOM 682 CG PRO A 45 5.765 15.029 -12.786 1.00 0.00 C ATOM 683 CD PRO A 45 4.694 14.818 -11.705 1.00 0.00 C ATOM 0 HA PRO A 45 6.957 16.558 -9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.693 16.060 -12.611 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.523 14.703 -11.515 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.448 15.759 -13.531 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.988 14.105 -13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.691 14.977 -12.101 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.723 13.803 -11.308 1.00 0.00 H new ATOM 691 N ASP A 46 5.880 18.806 -10.347 1.00 0.00 N ATOM 692 CA ASP A 46 6.108 20.266 -10.364 1.00 0.00 C ATOM 693 C ASP A 46 7.295 20.626 -9.401 1.00 0.00 C ATOM 694 O ASP A 46 7.200 20.333 -8.200 1.00 0.00 O ATOM 695 CB ASP A 46 4.797 21.006 -10.006 1.00 0.00 C ATOM 696 CG ASP A 46 4.913 22.535 -9.979 1.00 0.00 C ATOM 697 OD1 ASP A 46 5.681 23.110 -10.781 1.00 0.00 O ATOM 698 OD2 ASP A 46 4.277 23.171 -9.113 1.00 0.00 O ATOM 0 H ASP A 46 5.340 18.488 -9.543 1.00 0.00 H new ATOM 0 HA ASP A 46 6.395 20.593 -11.363 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.029 20.726 -10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.457 20.663 -9.029 1.00 0.00 H new ATOM 703 N PRO A 47 8.388 21.293 -9.845 1.00 0.00 N ATOM 704 CA PRO A 47 9.345 21.964 -8.913 1.00 0.00 C ATOM 705 C PRO A 47 8.912 23.321 -8.276 1.00 0.00 C ATOM 706 O PRO A 47 9.635 23.784 -7.391 1.00 0.00 O ATOM 707 CB PRO A 47 10.586 22.111 -9.836 1.00 0.00 C ATOM 708 CG PRO A 47 9.988 22.377 -11.238 1.00 0.00 C ATOM 709 CD PRO A 47 8.713 21.516 -11.271 1.00 0.00 C ATOM 0 HA PRO A 47 9.479 21.383 -8.001 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.227 22.932 -9.514 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.197 21.208 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.760 23.433 -11.380 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.682 22.092 -12.028 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.901 22.026 -11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.882 20.574 -11.793 1.00 0.00 H new ATOM 717 N PHE A 48 7.787 23.946 -8.670 1.00 0.00 N ATOM 718 CA PHE A 48 7.283 25.189 -8.026 1.00 0.00 C ATOM 719 C PHE A 48 6.507 24.912 -6.706 1.00 0.00 C ATOM 720 O PHE A 48 7.019 25.266 -5.641 1.00 0.00 O ATOM 721 CB PHE A 48 6.508 25.981 -9.109 1.00 0.00 C ATOM 722 CG PHE A 48 6.070 27.390 -8.686 1.00 0.00 C ATOM 723 CD1 PHE A 48 6.963 28.471 -8.751 1.00 0.00 C ATOM 724 CD2 PHE A 48 4.767 27.618 -8.214 1.00 0.00 C ATOM 725 CE1 PHE A 48 6.565 29.747 -8.348 1.00 0.00 C ATOM 726 CE2 PHE A 48 4.370 28.893 -7.809 1.00 0.00 C ATOM 727 CZ PHE A 48 5.269 29.956 -7.877 1.00 0.00 C ATOM 0 H PHE A 48 7.201 23.613 -9.436 1.00 0.00 H new ATOM 0 HA PHE A 48 8.104 25.814 -7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.134 26.062 -9.998 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.624 25.411 -9.393 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.967 28.314 -9.116 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.065 26.798 -8.164 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.260 30.572 -8.401 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.367 29.056 -7.443 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.962 30.943 -7.564 1.00 0.00 H new ATOM 737 N HIS A 49 5.296 24.327 -6.753 1.00 0.00 N ATOM 738 CA HIS A 49 4.524 23.978 -5.526 1.00 0.00 C ATOM 739 C HIS A 49 3.609 22.752 -5.818 1.00 0.00 C ATOM 740 O HIS A 49 2.400 22.883 -6.043 1.00 0.00 O ATOM 741 CB HIS A 49 3.793 25.244 -5.023 1.00 0.00 C ATOM 742 CG HIS A 49 3.011 25.075 -3.718 1.00 0.00 C ATOM 743 ND1 HIS A 49 3.573 25.000 -2.457 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.614 24.941 -3.617 1.00 0.00 C ATOM 745 CE1 HIS A 49 2.453 24.780 -1.708 1.00 0.00 C ATOM 746 NE2 HIS A 49 1.218 24.751 -2.305 1.00 0.00 N ATOM 0 H HIS A 49 4.823 24.082 -7.623 1.00 0.00 H new ATOM 0 HA HIS A 49 5.172 23.661 -4.709 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.528 26.037 -4.886 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.104 25.578 -5.799 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.548 25.085 -2.168 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.937 24.981 -4.457 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.539 24.628 -0.642 1.00 0.00 H new ATOM 754 N ALA A 50 4.197 21.548 -5.765 1.00 0.00 N ATOM 755 CA ALA A 50 3.453 20.289 -5.946 1.00 0.00 C ATOM 756 C ALA A 50 2.703 19.839 -4.661 1.00 0.00 C ATOM 757 O ALA A 50 3.301 19.313 -3.717 1.00 0.00 O ATOM 758 CB ALA A 50 4.485 19.241 -6.369 1.00 0.00 C ATOM 0 H ALA A 50 5.195 21.418 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 50 2.675 20.423 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.989 18.282 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.960 19.553 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.242 19.141 -5.591 1.00 0.00 H new ATOM 764 N GLN A 51 1.376 20.018 -4.665 1.00 0.00 N ATOM 765 CA GLN A 51 0.508 19.619 -3.527 1.00 0.00 C ATOM 766 C GLN A 51 0.275 18.063 -3.438 1.00 0.00 C ATOM 767 O GLN A 51 0.926 17.268 -4.120 1.00 0.00 O ATOM 768 CB GLN A 51 -0.815 20.428 -3.657 1.00 0.00 C ATOM 769 CG GLN A 51 -0.671 21.938 -3.372 1.00 0.00 C ATOM 770 CD GLN A 51 -1.991 22.704 -3.333 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.088 22.197 -3.561 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.926 23.974 -3.021 1.00 0.00 N ATOM 0 H GLN A 51 0.869 20.438 -5.444 1.00 0.00 H new ATOM 0 HA GLN A 51 1.000 19.856 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.209 20.297 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.551 20.010 -2.970 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.162 22.068 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.032 22.380 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.022 24.407 -2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.779 24.531 -2.969 1.00 0.00 H new ATOM 781 N ARG A 52 -0.625 17.642 -2.539 1.00 0.00 N ATOM 782 CA ARG A 52 -0.838 16.220 -2.171 1.00 0.00 C ATOM 783 C ARG A 52 -1.084 15.198 -3.322 1.00 0.00 C ATOM 784 O ARG A 52 -1.824 15.469 -4.272 1.00 0.00 O ATOM 785 CB ARG A 52 -1.940 16.189 -1.076 1.00 0.00 C ATOM 786 CG ARG A 52 -3.419 16.153 -1.466 1.00 0.00 C ATOM 787 CD ARG A 52 -3.955 17.349 -2.250 1.00 0.00 C ATOM 788 NE ARG A 52 -5.354 17.051 -2.631 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.146 17.828 -3.351 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.852 19.054 -3.707 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.282 17.317 -3.716 1.00 0.00 N ATOM 0 H ARG A 52 -1.238 18.282 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 52 0.117 15.847 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.750 15.315 -0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.794 17.067 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.592 15.254 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.008 16.053 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.909 18.254 -1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.347 17.527 -3.137 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.743 16.165 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.962 19.467 -3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.513 19.596 -4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.522 16.363 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.934 17.869 -4.273 1.00 0.00 H new ATOM 805 N TRP A 53 -0.494 14.001 -3.178 1.00 0.00 N ATOM 806 CA TRP A 53 -0.765 12.847 -4.095 1.00 0.00 C ATOM 807 C TRP A 53 -2.068 12.148 -3.629 1.00 0.00 C ATOM 808 O TRP A 53 -2.068 11.430 -2.627 1.00 0.00 O ATOM 809 CB TRP A 53 0.517 11.990 -4.139 1.00 0.00 C ATOM 810 CG TRP A 53 0.467 10.516 -4.660 1.00 0.00 C ATOM 811 CD1 TRP A 53 -0.478 9.925 -5.548 1.00 0.00 C ATOM 812 CD2 TRP A 53 1.257 9.435 -4.230 1.00 0.00 C ATOM 813 NE1 TRP A 53 -0.328 8.533 -5.626 1.00 0.00 N ATOM 814 CE2 TRP A 53 0.715 8.244 -4.774 1.00 0.00 C ATOM 815 CE3 TRP A 53 2.358 9.358 -3.320 1.00 0.00 C ATOM 816 CZ2 TRP A 53 1.209 6.972 -4.340 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.828 8.109 -2.926 1.00 0.00 C ATOM 818 CH2 TRP A 53 2.255 6.927 -3.425 1.00 0.00 C ATOM 0 H TRP A 53 0.177 13.792 -2.439 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.966 13.124 -5.130 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.241 12.525 -4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.919 11.960 -3.126 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.222 10.484 -6.096 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.871 7.879 -6.189 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.819 10.259 -2.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.774 6.059 -4.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.647 8.047 -2.225 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.632 5.971 -3.093 1.00 0.00 H new ATOM 829 N ASP A 54 -3.162 12.423 -4.356 1.00 0.00 N ATOM 830 CA ASP A 54 -4.546 12.143 -3.886 1.00 0.00 C ATOM 831 C ASP A 54 -5.289 11.114 -4.801 1.00 0.00 C ATOM 832 O ASP A 54 -6.339 11.421 -5.379 1.00 0.00 O ATOM 833 CB ASP A 54 -5.254 13.531 -3.869 1.00 0.00 C ATOM 834 CG ASP A 54 -6.410 13.677 -2.888 1.00 0.00 C ATOM 835 OD1 ASP A 54 -6.767 12.712 -2.181 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.933 14.809 -2.779 1.00 0.00 O ATOM 0 H ASP A 54 -3.123 12.844 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.547 11.677 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.510 14.294 -3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.626 13.740 -4.872 1.00 0.00 H new ATOM 841 N TYR A 55 -4.750 9.892 -4.971 1.00 0.00 N ATOM 842 CA TYR A 55 -5.312 8.921 -5.945 1.00 0.00 C ATOM 843 C TYR A 55 -6.330 7.957 -5.306 1.00 0.00 C ATOM 844 O TYR A 55 -5.948 7.005 -4.629 1.00 0.00 O ATOM 845 CB TYR A 55 -4.209 8.317 -6.845 1.00 0.00 C ATOM 846 CG TYR A 55 -3.372 7.077 -6.501 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.020 6.687 -5.192 1.00 0.00 C ATOM 848 CD2 TYR A 55 -2.840 6.343 -7.572 1.00 0.00 C ATOM 849 CE1 TYR A 55 -2.171 5.597 -4.979 1.00 0.00 C ATOM 850 CE2 TYR A 55 -1.987 5.257 -7.354 1.00 0.00 C ATOM 851 CZ TYR A 55 -1.642 4.894 -6.059 1.00 0.00 C ATOM 852 OH TYR A 55 -0.734 3.898 -5.837 1.00 0.00 O ATOM 0 H TYR A 55 -3.937 9.551 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.942 9.451 -6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.688 8.099 -7.800 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.494 9.121 -7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.410 7.235 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.094 6.622 -8.584 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.924 5.298 -3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.596 4.700 -8.193 1.00 0.00 H new ATOM 0 HH TYR A 55 0.070 4.063 -6.373 1.00 0.00 H new ATOM 862 N THR A 56 -7.635 8.168 -5.558 1.00 0.00 N ATOM 863 CA THR A 56 -8.674 7.113 -5.347 1.00 0.00 C ATOM 864 C THR A 56 -8.783 6.273 -6.653 1.00 0.00 C ATOM 865 O THR A 56 -9.555 6.595 -7.561 1.00 0.00 O ATOM 866 CB THR A 56 -10.016 7.738 -4.881 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.831 8.452 -3.661 1.00 0.00 O ATOM 868 CG2 THR A 56 -11.103 6.699 -4.600 1.00 0.00 C ATOM 0 H THR A 56 -8.006 9.052 -5.907 1.00 0.00 H new ATOM 0 HA THR A 56 -8.389 6.438 -4.540 1.00 0.00 H new ATOM 0 HB THR A 56 -10.331 8.383 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.738 7.816 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.014 7.204 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.305 6.129 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.766 6.023 -3.814 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.878 1.166 -5.261 1.00 0.00 N ATOM 1096 CA LYS A 70 -5.034 1.978 -4.356 1.00 0.00 C ATOM 1097 C LYS A 70 -5.739 3.355 -4.113 1.00 0.00 C ATOM 1098 O LYS A 70 -5.694 4.255 -4.958 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.618 2.204 -4.946 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.708 0.970 -5.040 1.00 0.00 C ATOM 1101 CD LYS A 70 -2.148 0.521 -3.685 1.00 0.00 C ATOM 1102 CE LYS A 70 -1.697 -0.944 -3.654 1.00 0.00 C ATOM 1103 NZ LYS A 70 -2.860 -1.873 -3.580 1.00 0.00 N ATOM 0 HA LYS A 70 -4.913 1.442 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.728 2.623 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.112 2.955 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.269 0.147 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.879 1.190 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.302 1.157 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.909 0.673 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.111 -1.164 -4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.045 -1.107 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.528 -2.825 -3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.530 -1.534 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.335 -1.909 -4.505 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.367 3.473 -2.941 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.896 4.747 -2.398 1.00 0.00 C ATOM 1119 C ASN A 71 -5.921 5.327 -1.323 1.00 0.00 C ATOM 1120 O ASN A 71 -6.011 4.989 -0.139 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.320 4.442 -1.873 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.142 5.657 -1.463 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.983 6.769 -1.961 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -10.095 5.482 -0.584 1.00 0.00 N ATOM 0 H ASN A 71 -6.530 2.677 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.965 5.530 -3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.865 3.900 -2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.237 3.775 -1.015 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.695 6.263 -0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.238 4.564 -0.163 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.981 6.176 -1.760 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.980 6.821 -0.856 1.00 0.00 C ATOM 1133 C PHE A 72 -3.970 8.365 -1.047 1.00 0.00 C ATOM 1134 O PHE A 72 -3.783 8.846 -2.171 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.586 6.215 -1.173 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.434 6.554 -0.203 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.552 6.287 1.167 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.204 7.037 -0.680 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.472 6.454 2.032 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.880 7.211 0.188 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.744 6.913 1.542 1.00 0.00 C ATOM 0 H PHE A 72 -4.881 6.443 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.242 6.630 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.689 5.131 -1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.295 6.541 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.498 5.945 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.094 7.277 -1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.580 6.227 3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.822 7.577 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.583 7.039 2.210 1.00 0.00 H new ATOM 1151 N THR A 73 -4.102 9.119 0.057 1.00 0.00 N ATOM 1152 CA THR A 73 -3.956 10.605 0.025 1.00 0.00 C ATOM 1153 C THR A 73 -2.771 11.018 0.937 1.00 0.00 C ATOM 1154 O THR A 73 -2.880 10.976 2.164 1.00 0.00 O ATOM 1155 CB THR A 73 -5.288 11.310 0.385 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.282 10.974 -0.575 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.185 12.834 0.371 1.00 0.00 C ATOM 0 H THR A 73 -4.308 8.739 0.981 1.00 0.00 H new ATOM 0 HA THR A 73 -3.723 10.934 -0.988 1.00 0.00 H new ATOM 0 HB THR A 73 -5.538 10.974 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.692 11.794 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.151 13.266 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.437 13.155 1.096 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.894 13.170 -0.624 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.653 11.441 0.338 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.414 11.808 1.092 1.00 0.00 C ATOM 1167 C VAL A 74 0.011 13.270 0.800 1.00 0.00 C ATOM 1168 O VAL A 74 0.110 13.700 -0.354 1.00 0.00 O ATOM 1169 CB VAL A 74 0.688 10.744 0.864 1.00 0.00 C ATOM 1170 CG1 VAL A 74 1.158 10.600 -0.584 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.947 10.967 1.726 1.00 0.00 C ATOM 0 H VAL A 74 -1.565 11.544 -0.673 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.615 11.794 2.163 1.00 0.00 H new ATOM 0 HB VAL A 74 0.176 9.829 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.929 9.832 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.315 10.316 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.565 11.550 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.676 10.185 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.380 11.940 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.676 10.934 2.781 1.00 0.00 H new ATOM 1181 N PHE A 75 0.259 14.026 1.873 1.00 0.00 N ATOM 1182 CA PHE A 75 0.335 15.500 1.826 1.00 0.00 C ATOM 1183 C PHE A 75 1.778 16.013 1.598 1.00 0.00 C ATOM 1184 O PHE A 75 2.709 15.659 2.324 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.306 16.082 3.118 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.847 15.959 3.129 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.635 16.917 2.472 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.486 14.856 3.723 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.021 16.771 2.398 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.872 14.713 3.651 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.637 15.670 2.988 1.00 0.00 C ATOM 0 H PHE A 75 0.414 13.638 2.804 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.230 15.853 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.102 15.564 3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.029 17.132 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.164 17.777 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.898 14.112 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.616 17.511 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.352 13.861 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.710 15.558 2.931 1.00 0.00 H new ATOM 1201 N PHE A 76 1.932 16.863 0.581 1.00 0.00 N ATOM 1202 CA PHE A 76 3.218 17.512 0.235 1.00 0.00 C ATOM 1203 C PHE A 76 3.042 19.069 0.284 1.00 0.00 C ATOM 1204 O PHE A 76 1.983 19.588 -0.096 1.00 0.00 O ATOM 1205 CB PHE A 76 3.656 17.140 -1.211 1.00 0.00 C ATOM 1206 CG PHE A 76 3.818 15.655 -1.560 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.474 14.745 -0.715 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.311 15.188 -2.776 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.570 13.397 -1.060 1.00 0.00 C ATOM 1210 CE2 PHE A 76 3.437 13.848 -3.139 1.00 0.00 C ATOM 1211 CZ PHE A 76 4.059 12.952 -2.276 1.00 0.00 C ATOM 0 H PHE A 76 1.166 17.129 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 76 3.969 17.173 0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.927 17.566 -1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.607 17.634 -1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.908 15.092 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.814 15.876 -3.444 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.041 12.699 -0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.052 13.506 -4.089 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.146 11.911 -2.549 1.00 0.00 H new ATOM 1221 N GLU A 77 4.100 19.805 0.657 1.00 0.00 N ATOM 1222 CA GLU A 77 4.191 21.264 0.292 1.00 0.00 C ATOM 1223 C GLU A 77 4.735 21.416 -1.157 1.00 0.00 C ATOM 1224 O GLU A 77 3.968 21.774 -2.053 1.00 0.00 O ATOM 1225 CB GLU A 77 4.917 22.000 1.429 1.00 0.00 C ATOM 1226 CG GLU A 77 5.067 23.526 1.311 1.00 0.00 C ATOM 1227 CD GLU A 77 6.151 24.035 0.376 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.343 23.969 0.749 1.00 0.00 O ATOM 1229 OE2 GLU A 77 5.816 24.518 -0.727 1.00 0.00 O ATOM 0 H GLU A 77 4.890 19.448 1.194 1.00 0.00 H new ATOM 0 HA GLU A 77 3.223 21.762 0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.389 21.786 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.915 21.571 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.113 23.937 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.260 23.927 2.306 1.00 0.00 H new ATOM 1236 N ASN A 78 6.009 21.069 -1.392 1.00 0.00 N ATOM 1237 CA ASN A 78 6.554 20.867 -2.759 1.00 0.00 C ATOM 1238 C ASN A 78 7.265 19.485 -2.845 1.00 0.00 C ATOM 1239 O ASN A 78 6.755 18.576 -3.504 1.00 0.00 O ATOM 1240 CB ASN A 78 7.415 22.087 -3.149 1.00 0.00 C ATOM 1241 CG ASN A 78 7.879 22.094 -4.598 1.00 0.00 C ATOM 1242 OD1 ASN A 78 7.118 21.835 -5.526 1.00 0.00 O ATOM 1243 ND2 ASN A 78 9.129 22.389 -4.857 1.00 0.00 N ATOM 0 H ASN A 78 6.693 20.919 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 78 5.763 20.820 -3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.843 22.995 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.290 22.121 -2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.461 22.402 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.770 22.606 -4.094 1.00 0.00 H new ATOM 1250 N GLU A 79 8.428 19.337 -2.203 1.00 0.00 N ATOM 1251 CA GLU A 79 9.090 18.026 -1.995 1.00 0.00 C ATOM 1252 C GLU A 79 8.699 17.354 -0.635 1.00 0.00 C ATOM 1253 O GLU A 79 8.458 16.147 -0.602 1.00 0.00 O ATOM 1254 CB GLU A 79 10.633 18.205 -2.077 1.00 0.00 C ATOM 1255 CG GLU A 79 11.262 18.119 -3.478 1.00 0.00 C ATOM 1256 CD GLU A 79 10.865 19.180 -4.479 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.985 20.386 -4.182 1.00 0.00 O ATOM 1258 OE2 GLU A 79 10.410 18.804 -5.582 1.00 0.00 O ATOM 0 H GLU A 79 8.947 20.121 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 79 8.744 17.359 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.887 19.174 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.098 17.446 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.346 18.150 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.014 17.146 -3.901 1.00 0.00 H new ATOM 1265 N GLN A 80 8.696 18.103 0.472 1.00 0.00 N ATOM 1266 CA GLN A 80 8.673 17.550 1.835 1.00 0.00 C ATOM 1267 C GLN A 80 7.304 16.959 2.243 1.00 0.00 C ATOM 1268 O GLN A 80 6.243 17.564 2.050 1.00 0.00 O ATOM 1269 CB GLN A 80 9.221 18.588 2.842 1.00 0.00 C ATOM 1270 CG GLN A 80 8.437 19.884 3.117 1.00 0.00 C ATOM 1271 CD GLN A 80 8.469 20.973 2.045 1.00 0.00 C ATOM 1272 OE1 GLN A 80 8.146 20.771 0.877 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.743 22.203 2.406 1.00 0.00 N ATOM 0 H GLN A 80 8.710 19.123 0.449 1.00 0.00 H new ATOM 0 HA GLN A 80 9.341 16.689 1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.348 18.077 3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.215 18.877 2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.395 19.615 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.815 20.315 4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.014 22.404 3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.685 22.960 1.724 1.00 0.00 H new ATOM 1282 N VAL A 81 7.362 15.746 2.795 1.00 0.00 N ATOM 1283 CA VAL A 81 6.158 14.907 3.013 1.00 0.00 C ATOM 1284 C VAL A 81 5.616 15.157 4.455 1.00 0.00 C ATOM 1285 O VAL A 81 6.329 14.976 5.447 1.00 0.00 O ATOM 1286 CB VAL A 81 6.465 13.393 2.757 1.00 0.00 C ATOM 1287 CG1 VAL A 81 5.155 12.578 2.746 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.234 13.093 1.454 1.00 0.00 C ATOM 0 H VAL A 81 8.231 15.311 3.105 1.00 0.00 H new ATOM 0 HA VAL A 81 5.387 15.189 2.296 1.00 0.00 H new ATOM 0 HB VAL A 81 7.118 13.101 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.382 11.527 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.654 12.682 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.503 12.948 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.398 12.019 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.653 13.441 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.195 13.607 1.472 1.00 0.00 H new ATOM 1298 N VAL A 82 4.353 15.578 4.551 1.00 0.00 N ATOM 1299 CA VAL A 82 3.739 16.004 5.839 1.00 0.00 C ATOM 1300 C VAL A 82 3.062 14.786 6.548 1.00 0.00 C ATOM 1301 O VAL A 82 3.531 14.378 7.611 1.00 0.00 O ATOM 1302 CB VAL A 82 2.807 17.244 5.619 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.188 17.763 6.937 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.536 18.452 4.974 1.00 0.00 C ATOM 0 H VAL A 82 3.720 15.638 3.753 1.00 0.00 H new ATOM 0 HA VAL A 82 4.509 16.347 6.530 1.00 0.00 H new ATOM 0 HB VAL A 82 2.035 16.869 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.552 18.622 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.592 16.973 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.984 18.060 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.834 19.276 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.356 18.768 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.931 18.161 4.000 1.00 0.00 H new ATOM 1314 N ARG A 83 1.968 14.232 5.992 1.00 0.00 N ATOM 1315 CA ARG A 83 1.247 13.077 6.588 1.00 0.00 C ATOM 1316 C ARG A 83 0.385 12.301 5.530 1.00 0.00 C ATOM 1317 O ARG A 83 0.238 12.732 4.383 1.00 0.00 O ATOM 1318 CB ARG A 83 0.452 13.505 7.848 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.754 14.441 7.623 1.00 0.00 C ATOM 1320 CD ARG A 83 -1.774 14.397 8.773 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.449 13.071 8.808 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.572 12.749 8.176 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.350 13.619 7.587 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.907 11.495 8.135 1.00 0.00 N ATOM 0 H ARG A 83 1.556 14.566 5.121 1.00 0.00 H new ATOM 0 HA ARG A 83 1.991 12.356 6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.095 12.604 8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.141 13.997 8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.395 15.463 7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.252 14.166 6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.272 14.583 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.514 15.187 8.644 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.008 12.342 9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.107 14.609 7.597 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.200 13.307 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.314 10.794 8.580 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.763 11.211 7.658 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.168 11.146 5.930 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.802 10.181 4.991 1.00 0.00 C ATOM 1340 C TRP A 84 -2.183 9.619 5.472 1.00 0.00 C ATOM 1341 O TRP A 84 -2.333 9.189 6.619 1.00 0.00 O ATOM 1342 CB TRP A 84 0.164 9.032 4.605 1.00 0.00 C ATOM 1343 CG TRP A 84 1.106 8.425 5.681 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.776 7.452 6.657 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.454 8.728 5.913 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.875 7.138 7.478 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.901 7.931 7.001 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.353 9.659 5.292 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.243 8.053 7.468 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.653 9.761 5.773 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.093 8.968 6.850 1.00 0.00 C ATOM 0 H TRP A 84 -0.193 10.847 6.905 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.019 10.767 4.098 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.441 8.218 4.205 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.791 9.393 3.790 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.202 7.005 6.759 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.907 6.474 8.252 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.025 10.270 4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.595 7.445 8.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.336 10.460 5.313 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.108 9.071 7.204 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.146 9.573 4.536 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.429 8.847 4.687 1.00 0.00 C ATOM 1364 C GLU A 85 -4.312 7.477 3.918 1.00 0.00 C ATOM 1365 O GLU A 85 -4.203 7.456 2.683 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.650 9.597 4.077 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.852 11.083 4.367 1.00 0.00 C ATOM 1368 CD GLU A 85 -6.095 11.544 5.781 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -6.028 10.755 6.746 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -6.248 12.769 5.964 1.00 0.00 O ATOM 0 H GLU A 85 -3.058 10.046 3.636 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.599 8.736 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.594 9.482 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.549 9.076 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.970 11.609 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.696 11.420 3.766 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.327 6.362 4.653 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.124 5.025 4.058 1.00 0.00 C ATOM 1379 C GLY A 86 -5.323 4.075 4.113 1.00 0.00 C ATOM 1380 O GLY A 86 -5.420 3.258 5.029 1.00 0.00 O ATOM 0 H GLY A 86 -4.477 6.352 5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.836 5.154 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.285 4.548 4.564 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.170 4.138 3.082 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.213 3.103 2.807 1.00 0.00 C ATOM 1386 C ASP A 87 -6.635 1.941 1.930 1.00 0.00 C ATOM 1387 O ASP A 87 -6.512 0.819 2.424 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.428 3.857 2.233 1.00 0.00 C ATOM 1389 CG ASP A 87 -9.627 2.995 1.871 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -10.185 2.322 2.762 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -10.024 2.999 0.684 1.00 0.00 O ATOM 0 H ASP A 87 -6.165 4.901 2.405 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.546 2.577 3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.747 4.603 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.109 4.397 1.341 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.256 2.239 0.673 1.00 0.00 N ATOM 1397 CA TYR A 88 -5.197 1.529 -0.097 1.00 0.00 C ATOM 1398 C TYR A 88 -5.174 0.014 -0.420 1.00 0.00 C ATOM 1399 O TYR A 88 -4.438 -0.371 -1.332 1.00 0.00 O ATOM 1400 CB TYR A 88 -3.810 2.169 0.119 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.060 2.054 1.448 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -3.337 1.140 2.490 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -1.994 2.932 1.611 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -2.617 1.188 3.687 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.254 2.960 2.792 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.581 2.108 3.839 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.925 2.218 5.025 1.00 0.00 O ATOM 0 H TYR A 88 -6.684 2.999 0.144 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.640 1.717 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.153 1.761 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.920 3.233 -0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.111 0.398 2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.734 3.605 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.863 0.513 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.425 3.645 2.893 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.529 1.974 5.757 1.00 0.00 H new ATOM 1667 N GLY A 105 -4.641 -34.823 -24.951 1.00 0.00 N ATOM 1668 CA GLY A 105 -3.847 -36.003 -25.364 1.00 0.00 C ATOM 1669 C GLY A 105 -3.974 -37.218 -24.431 1.00 0.00 C ATOM 1670 O GLY A 105 -3.059 -37.520 -23.661 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.154 -36.298 -26.367 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.797 -35.715 -25.424 1.00 0.00 H new ATOM 1674 N ARG A 106 -5.114 -37.913 -24.527 1.00 0.00 N ATOM 1675 CA ARG A 106 -5.483 -38.993 -23.574 1.00 0.00 C ATOM 1676 C ARG A 106 -4.875 -40.362 -23.986 1.00 0.00 C ATOM 1677 O ARG A 106 -5.511 -41.181 -24.656 1.00 0.00 O ATOM 1678 CB ARG A 106 -7.031 -38.970 -23.491 1.00 0.00 C ATOM 1679 CG ARG A 106 -7.628 -39.870 -22.392 1.00 0.00 C ATOM 1680 CD ARG A 106 -9.162 -39.789 -22.286 1.00 0.00 C ATOM 1681 NE ARG A 106 -9.617 -38.529 -21.645 1.00 0.00 N ATOM 1682 CZ ARG A 106 -10.084 -37.452 -22.272 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -10.249 -37.366 -23.566 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -10.376 -36.417 -21.546 1.00 0.00 N ATOM 0 H ARG A 106 -5.808 -37.753 -25.257 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.065 -38.830 -22.581 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.357 -37.944 -23.319 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.438 -39.277 -24.454 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.341 -40.903 -22.586 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.192 -39.593 -21.432 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.597 -39.865 -23.282 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.530 -40.639 -21.712 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.567 -38.485 -20.627 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.014 -38.158 -24.164 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.613 -36.507 -23.978 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.245 -36.450 -20.535 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.737 -35.571 -21.986 1.00 0.00 H new ATOM 1698 N ASN A 107 -3.632 -40.598 -23.548 1.00 0.00 N ATOM 1699 CA ASN A 107 -2.872 -41.825 -23.898 1.00 0.00 C ATOM 1700 C ASN A 107 -3.099 -42.923 -22.810 1.00 0.00 C ATOM 1701 O ASN A 107 -2.382 -42.990 -21.808 1.00 0.00 O ATOM 1702 CB ASN A 107 -1.372 -41.467 -24.056 1.00 0.00 C ATOM 1703 CG ASN A 107 -1.031 -40.701 -25.329 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -0.844 -41.279 -26.393 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -0.931 -39.394 -25.283 1.00 0.00 N ATOM 0 H ASN A 107 -3.120 -39.955 -22.945 1.00 0.00 H new ATOM 0 HA ASN A 107 -3.227 -42.230 -24.846 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -1.062 -40.873 -23.196 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.789 -42.387 -24.035 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -0.700 -38.870 -26.127 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -1.084 -38.901 -24.403 1.00 0.00 H new ATOM 1712 N LEU A 108 -4.124 -43.762 -23.019 1.00 0.00 N ATOM 1713 CA LEU A 108 -4.511 -44.830 -22.059 1.00 0.00 C ATOM 1714 C LEU A 108 -4.999 -46.057 -22.880 1.00 0.00 C ATOM 1715 O LEU A 108 -6.105 -46.051 -23.428 1.00 0.00 O ATOM 1716 CB LEU A 108 -5.579 -44.264 -21.085 1.00 0.00 C ATOM 1717 CG LEU A 108 -5.790 -45.041 -19.764 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -6.638 -44.176 -18.806 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -6.489 -46.393 -19.933 1.00 0.00 C ATOM 0 H LEU A 108 -4.712 -43.728 -23.852 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.675 -45.161 -21.443 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.305 -43.238 -20.837 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.532 -44.221 -21.612 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.795 -45.247 -19.370 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.793 -44.714 -17.871 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.117 -43.240 -18.604 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.603 -43.963 -19.266 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.597 -46.871 -18.959 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.474 -46.241 -20.374 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.894 -47.031 -20.586 1.00 0.00 H new ATOM 1731 N ALA A 109 -4.166 -47.104 -22.946 1.00 0.00 N ATOM 1732 CA ALA A 109 -4.555 -48.410 -23.508 1.00 0.00 C ATOM 1733 C ALA A 109 -4.912 -49.409 -22.367 1.00 0.00 C ATOM 1734 O ALA A 109 -4.213 -49.543 -21.358 1.00 0.00 O ATOM 1735 CB ALA A 109 -3.375 -48.928 -24.342 1.00 0.00 C ATOM 0 H ALA A 109 -3.203 -47.072 -22.612 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.440 -48.308 -24.136 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.631 -49.896 -24.773 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.157 -48.221 -25.142 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.498 -49.036 -23.704 1.00 0.00 H new ATOM 1741 N ARG A 110 -6.024 -50.103 -22.585 1.00 0.00 N ATOM 1742 CA ARG A 110 -6.457 -51.244 -21.722 1.00 0.00 C ATOM 1743 C ARG A 110 -7.123 -52.302 -22.652 1.00 0.00 C ATOM 1744 O ARG A 110 -8.351 -52.395 -22.752 1.00 0.00 O ATOM 1745 CB ARG A 110 -7.359 -50.688 -20.596 1.00 0.00 C ATOM 1746 CG ARG A 110 -7.607 -51.602 -19.379 1.00 0.00 C ATOM 1747 CD ARG A 110 -8.568 -52.767 -19.633 1.00 0.00 C ATOM 1748 NE ARG A 110 -8.861 -53.464 -18.356 1.00 0.00 N ATOM 1749 CZ ARG A 110 -9.671 -54.511 -18.228 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -10.313 -55.060 -19.230 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -9.838 -55.020 -17.043 1.00 0.00 N ATOM 0 H ARG A 110 -6.662 -49.907 -23.356 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.636 -51.750 -21.214 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.917 -49.759 -20.237 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -8.326 -50.434 -21.031 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.651 -52.005 -19.045 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.001 -50.997 -18.563 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.493 -52.398 -20.077 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.128 -53.464 -20.346 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.407 -53.114 -17.513 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.205 -54.685 -20.172 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.921 -55.863 -19.068 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.354 -54.616 -16.241 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.453 -55.823 -16.915 1.00 0.00 H new ATOM 1765 N ASP A 111 -6.281 -53.066 -23.366 1.00 0.00 N ATOM 1766 CA ASP A 111 -6.667 -53.636 -24.677 1.00 0.00 C ATOM 1767 C ASP A 111 -6.335 -55.159 -24.815 1.00 0.00 C ATOM 1768 O ASP A 111 -5.361 -55.687 -24.272 1.00 0.00 O ATOM 1769 CB ASP A 111 -5.907 -52.866 -25.796 1.00 0.00 C ATOM 1770 CG ASP A 111 -6.469 -51.495 -26.141 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -6.247 -50.530 -25.377 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -7.129 -51.380 -27.197 1.00 0.00 O ATOM 0 H ASP A 111 -5.336 -53.305 -23.065 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.748 -53.531 -24.765 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.867 -52.748 -25.490 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.906 -53.477 -26.698 1.00 0.00 H new ATOM 1777 N LYS A 112 -7.116 -55.809 -25.689 1.00 0.00 N ATOM 1778 CA LYS A 112 -6.637 -57.003 -26.449 1.00 0.00 C ATOM 1779 C LYS A 112 -6.890 -56.716 -27.959 1.00 0.00 C ATOM 1780 O LYS A 112 -7.806 -57.263 -28.581 1.00 0.00 O ATOM 1781 CB LYS A 112 -7.324 -58.256 -25.870 1.00 0.00 C ATOM 1782 CG LYS A 112 -6.724 -59.627 -26.245 1.00 0.00 C ATOM 1783 CD LYS A 112 -7.110 -60.147 -27.639 1.00 0.00 C ATOM 1784 CE LYS A 112 -6.674 -61.604 -27.859 1.00 0.00 C ATOM 1785 NZ LYS A 112 -7.147 -62.067 -29.195 1.00 0.00 N ATOM 0 H LYS A 112 -8.078 -55.541 -25.896 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.569 -57.199 -26.351 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.320 -58.172 -24.783 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.367 -58.246 -26.187 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.638 -59.559 -26.187 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.038 -60.359 -25.501 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.190 -60.070 -27.767 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.653 -59.514 -28.400 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.589 -61.683 -27.798 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.085 -62.240 -27.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.852 -63.053 -29.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.184 -62.005 -29.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.735 -61.466 -29.937 1.00 0.00 H new