USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 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 33 GLN : amide:sc= 0.981 K(o=2.2,f=-0.45!) USER MOD Set 1.2: A 43 SER OG : rot -131:sc= 1.2 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 170:sc= 1.3 (180deg=0.648) USER MOD Set 2.2: A 78 ASN : amide:sc= 0.208 K(o=1.5,f=-2.7) USER MOD Set 3.1: A 30 GLN : amide:sc= 0 X(o=0.75,f=0.75) USER MOD Set 3.2: A 31 SER OG : rot -37:sc= 0.754 USER MOD Set 3.3: A 34 GLN : amide:sc=-0.00853 X(o=0.75,f=0.75) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 1.05 K(o=1.1,f=-0.21) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.0956 X(o=0.096,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.039) USER MOD Single : A 36 SER OG : rot -132:sc= 0.972 USER MOD Single : A 41 THR OG1 : rot -9:sc= 0.627 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 51 GLN : amide:sc= 1.15 K(o=1.1,f=-6.5!) USER MOD Single : A 55 TYR OH : rot 56:sc= 1.01 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 1.03 K(o=1,f=-0.0055) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 1.2 K(o=1.2,f=-0.032) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 2.540 -1.769 -1.531 1.00 0.00 N ATOM 265 CA ILE A 18 1.646 -1.237 -0.465 1.00 0.00 C ATOM 266 C ILE A 18 1.647 -2.237 0.731 1.00 0.00 C ATOM 267 O ILE A 18 1.090 -3.334 0.652 1.00 0.00 O ATOM 268 CB ILE A 18 0.238 -0.980 -1.095 1.00 0.00 C ATOM 269 CG1 ILE A 18 0.239 0.170 -2.147 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.881 -0.740 -0.066 1.00 0.00 C ATOM 271 CD1 ILE A 18 0.523 1.584 -1.650 1.00 0.00 C ATOM 0 HA ILE A 18 1.988 -0.283 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 18 0.014 -1.917 -1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.980 -0.073 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.734 0.176 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.824 -0.570 -0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.975 -1.613 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.638 0.134 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.491 2.278 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.230 1.869 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.510 1.616 -1.190 1.00 0.00 H new ATOM 283 N LYS A 19 2.249 -1.809 1.846 1.00 0.00 N ATOM 284 CA LYS A 19 2.336 -2.615 3.090 1.00 0.00 C ATOM 285 C LYS A 19 1.801 -1.772 4.277 1.00 0.00 C ATOM 286 O LYS A 19 2.562 -0.993 4.860 1.00 0.00 O ATOM 287 CB LYS A 19 3.824 -3.014 3.240 1.00 0.00 C ATOM 288 CG LYS A 19 4.200 -3.906 4.435 1.00 0.00 C ATOM 289 CD LYS A 19 4.065 -5.410 4.145 1.00 0.00 C ATOM 290 CE LYS A 19 4.334 -6.254 5.403 1.00 0.00 C ATOM 291 NZ LYS A 19 4.318 -7.707 5.076 1.00 0.00 N ATOM 0 H LYS A 19 2.693 -0.894 1.921 1.00 0.00 H new ATOM 0 HA LYS A 19 1.727 -3.519 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.129 -3.527 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.413 -2.099 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.228 -3.692 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.566 -3.649 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.063 -5.621 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.764 -5.694 3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.300 -5.983 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.580 -6.038 6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.502 -8.259 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.387 -7.966 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.054 -7.912 4.370 1.00 0.00 H new ATOM 305 N GLN A 20 0.532 -1.949 4.693 1.00 0.00 N ATOM 306 CA GLN A 20 -0.016 -1.261 5.904 1.00 0.00 C ATOM 307 C GLN A 20 0.500 -1.871 7.261 1.00 0.00 C ATOM 308 O GLN A 20 -0.218 -2.512 8.032 1.00 0.00 O ATOM 309 CB GLN A 20 -1.562 -1.225 5.810 1.00 0.00 C ATOM 310 CG GLN A 20 -2.170 -0.208 6.807 1.00 0.00 C ATOM 311 CD GLN A 20 -3.687 -0.180 6.897 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.431 -0.771 6.117 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.195 0.542 7.866 1.00 0.00 N ATOM 0 H GLN A 20 -0.138 -2.556 4.220 1.00 0.00 H new ATOM 0 HA GLN A 20 0.361 -0.238 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.859 -0.962 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.963 -2.218 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.772 -0.421 7.799 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.825 0.789 6.533 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.578 1.033 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.207 0.613 7.972 1.00 0.00 H new ATOM 322 N ASN A 21 1.784 -1.622 7.488 1.00 0.00 N ATOM 323 CA ASN A 21 2.534 -1.966 8.719 1.00 0.00 C ATOM 324 C ASN A 21 3.892 -1.196 8.631 1.00 0.00 C ATOM 325 O ASN A 21 4.102 -0.254 9.394 1.00 0.00 O ATOM 326 CB ASN A 21 2.671 -3.492 8.919 1.00 0.00 C ATOM 327 CG ASN A 21 3.233 -3.920 10.265 1.00 0.00 C ATOM 328 OD1 ASN A 21 2.507 -4.159 11.222 1.00 0.00 O ATOM 329 ND2 ASN A 21 4.531 -4.052 10.399 1.00 0.00 N ATOM 0 H ASN A 21 2.369 -1.154 6.796 1.00 0.00 H new ATOM 0 HA ASN A 21 2.000 -1.654 9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.690 -3.949 8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.312 -3.889 8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.924 -4.350 11.292 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.148 -3.856 9.610 1.00 0.00 H new ATOM 336 N ALA A 22 4.770 -1.551 7.668 1.00 0.00 N ATOM 337 CA ALA A 22 5.937 -0.715 7.310 1.00 0.00 C ATOM 338 C ALA A 22 5.610 0.673 6.683 1.00 0.00 C ATOM 339 O ALA A 22 6.216 1.648 7.120 1.00 0.00 O ATOM 340 CB ALA A 22 6.846 -1.549 6.405 1.00 0.00 C ATOM 0 H ALA A 22 4.693 -2.411 7.125 1.00 0.00 H new ATOM 0 HA ALA A 22 6.437 -0.444 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.718 -0.959 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.169 -2.443 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.299 -1.840 5.508 1.00 0.00 H new ATOM 346 N VAL A 23 4.650 0.806 5.744 1.00 0.00 N ATOM 347 CA VAL A 23 4.127 2.146 5.313 1.00 0.00 C ATOM 348 C VAL A 23 3.437 2.948 6.466 1.00 0.00 C ATOM 349 O VAL A 23 3.730 4.135 6.610 1.00 0.00 O ATOM 350 CB VAL A 23 3.220 2.073 4.039 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.856 3.486 3.509 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.874 1.322 2.860 1.00 0.00 C ATOM 0 H VAL A 23 4.216 0.017 5.265 1.00 0.00 H new ATOM 0 HA VAL A 23 5.017 2.711 5.035 1.00 0.00 H new ATOM 0 HB VAL A 23 2.335 1.532 4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.226 3.392 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.318 4.037 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.768 4.023 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.190 1.310 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.797 1.826 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.098 0.298 3.160 1.00 0.00 H new ATOM 362 N GLU A 24 2.583 2.321 7.286 1.00 0.00 N ATOM 363 CA GLU A 24 2.034 2.967 8.516 1.00 0.00 C ATOM 364 C GLU A 24 3.096 3.453 9.568 1.00 0.00 C ATOM 365 O GLU A 24 2.922 4.523 10.155 1.00 0.00 O ATOM 366 CB GLU A 24 0.983 1.974 9.064 1.00 0.00 C ATOM 367 CG GLU A 24 -0.050 2.583 10.028 1.00 0.00 C ATOM 368 CD GLU A 24 -1.205 1.630 10.314 1.00 0.00 C ATOM 369 OE1 GLU A 24 -2.190 1.629 9.542 1.00 0.00 O ATOM 370 OE2 GLU A 24 -1.131 0.881 11.309 1.00 0.00 O ATOM 0 H GLU A 24 2.250 1.369 7.132 1.00 0.00 H new ATOM 0 HA GLU A 24 1.579 3.925 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.453 1.529 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.503 1.165 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.441 2.847 10.965 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.441 3.507 9.602 1.00 0.00 H new ATOM 377 N GLN A 25 4.204 2.714 9.745 1.00 0.00 N ATOM 378 CA GLN A 25 5.336 3.113 10.621 1.00 0.00 C ATOM 379 C GLN A 25 6.444 4.024 10.004 1.00 0.00 C ATOM 380 O GLN A 25 7.075 4.740 10.786 1.00 0.00 O ATOM 381 CB GLN A 25 5.895 1.774 11.181 1.00 0.00 C ATOM 382 CG GLN A 25 6.957 1.850 12.295 1.00 0.00 C ATOM 383 CD GLN A 25 8.405 1.752 11.835 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.928 0.677 11.564 1.00 0.00 O ATOM 385 NE2 GLN A 25 9.117 2.849 11.738 1.00 0.00 N ATOM 0 H GLN A 25 4.347 1.815 9.284 1.00 0.00 H new ATOM 0 HA GLN A 25 4.958 3.786 11.391 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.054 1.192 11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.322 1.215 10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.828 2.790 12.831 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.767 1.048 13.008 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.696 3.751 11.960 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.091 2.800 11.441 1.00 0.00 H new ATOM 394 N LEU A 26 6.741 3.987 8.687 1.00 0.00 N ATOM 395 CA LEU A 26 8.047 4.460 8.129 1.00 0.00 C ATOM 396 C LEU A 26 8.615 5.850 8.504 1.00 0.00 C ATOM 397 O LEU A 26 9.834 5.961 8.657 1.00 0.00 O ATOM 398 CB LEU A 26 8.190 4.122 6.617 1.00 0.00 C ATOM 399 CG LEU A 26 7.172 4.653 5.593 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.343 6.125 5.222 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.295 3.843 4.279 1.00 0.00 C ATOM 0 H LEU A 26 6.097 3.634 7.979 1.00 0.00 H new ATOM 0 HA LEU A 26 8.733 3.854 8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.173 4.471 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.195 3.035 6.530 1.00 0.00 H new ATOM 0 HG LEU A 26 6.202 4.545 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.581 6.408 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.238 6.740 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.332 6.279 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.574 4.218 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.303 3.950 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.094 2.791 4.480 1.00 0.00 H new ATOM 413 N GLN A 27 7.770 6.878 8.661 1.00 0.00 N ATOM 414 CA GLN A 27 8.196 8.263 9.038 1.00 0.00 C ATOM 415 C GLN A 27 9.391 8.866 8.219 1.00 0.00 C ATOM 416 O GLN A 27 10.466 9.159 8.754 1.00 0.00 O ATOM 417 CB GLN A 27 8.329 8.327 10.579 1.00 0.00 C ATOM 418 CG GLN A 27 8.403 9.735 11.203 1.00 0.00 C ATOM 419 CD GLN A 27 7.182 10.617 10.981 1.00 0.00 C ATOM 420 OE1 GLN A 27 7.071 11.318 9.982 1.00 0.00 O ATOM 421 NE2 GLN A 27 6.223 10.612 11.874 1.00 0.00 N ATOM 0 H GLN A 27 6.762 6.787 8.533 1.00 0.00 H new ATOM 0 HA GLN A 27 7.414 8.957 8.730 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.479 7.803 11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.225 7.778 10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.563 9.630 12.276 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.277 10.246 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.306 10.032 12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.393 11.188 11.734 1.00 0.00 H new ATOM 430 N VAL A 28 9.177 8.997 6.906 1.00 0.00 N ATOM 431 CA VAL A 28 10.164 9.584 5.955 1.00 0.00 C ATOM 432 C VAL A 28 9.535 10.895 5.372 1.00 0.00 C ATOM 433 O VAL A 28 8.458 10.851 4.774 1.00 0.00 O ATOM 434 CB VAL A 28 10.510 8.563 4.817 1.00 0.00 C ATOM 435 CG1 VAL A 28 11.498 9.140 3.773 1.00 0.00 C ATOM 436 CG2 VAL A 28 11.149 7.260 5.347 1.00 0.00 C ATOM 0 H VAL A 28 8.311 8.700 6.456 1.00 0.00 H new ATOM 0 HA VAL A 28 11.099 9.815 6.466 1.00 0.00 H new ATOM 0 HB VAL A 28 9.544 8.353 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.701 8.389 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.060 10.022 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.430 9.416 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.365 6.595 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.075 7.496 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.459 6.769 6.033 1.00 0.00 H new ATOM 446 N GLY A 29 10.247 12.021 5.511 1.00 0.00 N ATOM 447 CA GLY A 29 9.827 13.319 4.939 1.00 0.00 C ATOM 448 C GLY A 29 10.867 13.921 3.988 1.00 0.00 C ATOM 449 O GLY A 29 11.483 14.930 4.325 1.00 0.00 O ATOM 0 H GLY A 29 11.129 12.064 6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.887 13.186 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.635 14.022 5.750 1.00 0.00 H new ATOM 453 N GLN A 30 11.046 13.304 2.808 1.00 0.00 N ATOM 454 CA GLN A 30 12.083 13.729 1.828 1.00 0.00 C ATOM 455 C GLN A 30 11.488 14.148 0.458 1.00 0.00 C ATOM 456 O GLN A 30 11.716 15.291 0.057 1.00 0.00 O ATOM 457 CB GLN A 30 13.162 12.619 1.752 1.00 0.00 C ATOM 458 CG GLN A 30 14.330 12.842 0.770 1.00 0.00 C ATOM 459 CD GLN A 30 15.184 14.080 0.983 1.00 0.00 C ATOM 460 OE1 GLN A 30 16.107 14.098 1.789 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.923 15.151 0.271 1.00 0.00 N ATOM 0 H GLN A 30 10.489 12.507 2.501 1.00 0.00 H new ATOM 0 HA GLN A 30 12.564 14.645 2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.580 12.484 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.668 11.685 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.982 11.969 0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.921 12.883 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.156 15.142 -0.401 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.487 15.992 0.390 1.00 0.00 H new ATOM 470 N SER A 31 10.806 13.249 -0.277 1.00 0.00 N ATOM 471 CA SER A 31 10.472 13.499 -1.703 1.00 0.00 C ATOM 472 C SER A 31 9.206 12.718 -2.175 1.00 0.00 C ATOM 473 O SER A 31 9.119 11.493 -2.035 1.00 0.00 O ATOM 474 CB SER A 31 11.664 13.098 -2.621 1.00 0.00 C ATOM 475 OG SER A 31 12.767 14.001 -2.503 1.00 0.00 O ATOM 0 H SER A 31 10.477 12.353 0.082 1.00 0.00 H new ATOM 0 HA SER A 31 10.266 14.566 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.993 12.091 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.328 13.071 -3.658 1.00 0.00 H new ATOM 0 HG SER A 31 12.431 14.914 -2.387 1.00 0.00 H new ATOM 481 N LYS A 32 8.290 13.442 -2.833 1.00 0.00 N ATOM 482 CA LYS A 32 7.058 12.874 -3.445 1.00 0.00 C ATOM 483 C LYS A 32 7.245 11.803 -4.543 1.00 0.00 C ATOM 484 O LYS A 32 6.624 10.743 -4.474 1.00 0.00 O ATOM 485 CB LYS A 32 6.110 14.022 -3.871 1.00 0.00 C ATOM 486 CG LYS A 32 6.529 14.948 -5.026 1.00 0.00 C ATOM 487 CD LYS A 32 5.582 16.165 -5.089 1.00 0.00 C ATOM 488 CE LYS A 32 6.092 17.269 -6.024 1.00 0.00 C ATOM 489 NZ LYS A 32 5.410 18.530 -5.646 1.00 0.00 N ATOM 0 H LYS A 32 8.375 14.450 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 32 6.595 12.283 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.152 13.575 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.936 14.647 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.557 15.282 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.500 14.404 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.598 15.837 -5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.456 16.574 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.173 17.377 -5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.882 17.017 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.854 19.328 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.405 18.474 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.491 18.674 -4.619 1.00 0.00 H new ATOM 503 N GLN A 33 8.123 12.070 -5.517 1.00 0.00 N ATOM 504 CA GLN A 33 8.501 11.079 -6.556 1.00 0.00 C ATOM 505 C GLN A 33 9.229 9.803 -6.053 1.00 0.00 C ATOM 506 O GLN A 33 8.921 8.717 -6.544 1.00 0.00 O ATOM 507 CB GLN A 33 9.274 11.868 -7.638 1.00 0.00 C ATOM 508 CG GLN A 33 9.692 11.028 -8.861 1.00 0.00 C ATOM 509 CD GLN A 33 9.927 11.859 -10.113 1.00 0.00 C ATOM 510 OE1 GLN A 33 8.989 12.302 -10.771 1.00 0.00 O ATOM 511 NE2 GLN A 33 11.157 12.109 -10.485 1.00 0.00 N ATOM 0 H GLN A 33 8.594 12.970 -5.615 1.00 0.00 H new ATOM 0 HA GLN A 33 7.597 10.628 -6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.655 12.698 -7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.167 12.300 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.603 10.480 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.919 10.287 -9.065 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.939 11.743 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.334 12.670 -11.318 1.00 0.00 H new ATOM 520 N GLN A 34 10.140 9.924 -5.079 1.00 0.00 N ATOM 521 CA GLN A 34 10.752 8.750 -4.408 1.00 0.00 C ATOM 522 C GLN A 34 9.733 7.862 -3.624 1.00 0.00 C ATOM 523 O GLN A 34 9.680 6.660 -3.887 1.00 0.00 O ATOM 524 CB GLN A 34 11.924 9.185 -3.493 1.00 0.00 C ATOM 525 CG GLN A 34 13.131 9.793 -4.241 1.00 0.00 C ATOM 526 CD GLN A 34 14.355 9.977 -3.355 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.091 9.034 -3.087 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.634 11.166 -2.878 1.00 0.00 N ATOM 0 H GLN A 34 10.476 10.822 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 34 11.137 8.120 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.554 9.915 -2.773 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.264 8.320 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.392 9.149 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.843 10.758 -4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.028 11.958 -3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.457 11.299 -2.290 1.00 0.00 H new ATOM 537 N VAL A 35 8.902 8.430 -2.728 1.00 0.00 N ATOM 538 CA VAL A 35 7.818 7.652 -2.056 1.00 0.00 C ATOM 539 C VAL A 35 6.711 7.099 -3.005 1.00 0.00 C ATOM 540 O VAL A 35 6.352 5.929 -2.862 1.00 0.00 O ATOM 541 CB VAL A 35 7.322 8.411 -0.790 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.403 9.612 -1.053 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.620 7.467 0.206 1.00 0.00 C ATOM 0 H VAL A 35 8.951 9.410 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 35 8.252 6.716 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 35 8.244 8.809 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.117 10.066 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.929 10.346 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.509 9.278 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.289 8.036 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.758 7.006 -0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.316 6.691 0.524 1.00 0.00 H new ATOM 553 N SER A 36 6.228 7.873 -3.993 1.00 0.00 N ATOM 554 CA SER A 36 5.292 7.355 -5.031 1.00 0.00 C ATOM 555 C SER A 36 5.865 6.246 -5.960 1.00 0.00 C ATOM 556 O SER A 36 5.189 5.234 -6.153 1.00 0.00 O ATOM 557 CB SER A 36 4.725 8.559 -5.820 1.00 0.00 C ATOM 558 OG SER A 36 3.530 8.200 -6.504 1.00 0.00 O ATOM 0 H SER A 36 6.464 8.859 -4.102 1.00 0.00 H new ATOM 0 HA SER A 36 4.492 6.830 -4.509 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.524 9.384 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.467 8.912 -6.536 1.00 0.00 H new ATOM 0 HG SER A 36 3.581 8.506 -7.434 1.00 0.00 H new ATOM 564 N ALA A 37 7.106 6.374 -6.465 1.00 0.00 N ATOM 565 CA ALA A 37 7.792 5.266 -7.183 1.00 0.00 C ATOM 566 C ALA A 37 8.026 3.948 -6.372 1.00 0.00 C ATOM 567 O ALA A 37 7.799 2.865 -6.914 1.00 0.00 O ATOM 568 CB ALA A 37 9.114 5.823 -7.730 1.00 0.00 C ATOM 0 H ALA A 37 7.659 7.228 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 37 7.117 4.940 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.647 5.037 -8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.907 6.649 -8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.728 6.180 -6.903 1.00 0.00 H new ATOM 574 N LEU A 38 8.432 4.048 -5.096 1.00 0.00 N ATOM 575 CA LEU A 38 8.513 2.881 -4.173 1.00 0.00 C ATOM 576 C LEU A 38 7.133 2.239 -3.794 1.00 0.00 C ATOM 577 O LEU A 38 7.005 1.015 -3.858 1.00 0.00 O ATOM 578 CB LEU A 38 9.312 3.291 -2.905 1.00 0.00 C ATOM 579 CG LEU A 38 10.845 3.091 -2.959 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.567 3.870 -4.059 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.443 3.510 -1.599 1.00 0.00 C ATOM 0 H LEU A 38 8.714 4.930 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 38 9.033 2.091 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.112 4.343 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.924 2.724 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 38 10.997 2.036 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.636 3.661 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.181 3.567 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.399 4.938 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.524 3.375 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.212 4.558 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.016 2.893 -0.808 1.00 0.00 H new ATOM 593 N LEU A 39 6.123 3.043 -3.440 1.00 0.00 N ATOM 594 CA LEU A 39 4.731 2.557 -3.241 1.00 0.00 C ATOM 595 C LEU A 39 3.984 2.003 -4.511 1.00 0.00 C ATOM 596 O LEU A 39 3.138 1.120 -4.367 1.00 0.00 O ATOM 597 CB LEU A 39 3.911 3.727 -2.640 1.00 0.00 C ATOM 598 CG LEU A 39 4.265 4.138 -1.192 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.522 5.439 -0.857 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.906 3.090 -0.142 1.00 0.00 C ATOM 0 H LEU A 39 6.235 4.044 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 39 4.812 1.691 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.036 4.598 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.856 3.456 -2.671 1.00 0.00 H new ATOM 0 HG LEU A 39 5.348 4.258 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.761 5.743 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.829 6.222 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.448 5.277 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.186 3.454 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.833 2.901 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.442 2.165 -0.353 1.00 0.00 H new ATOM 612 N GLY A 40 4.286 2.529 -5.702 1.00 0.00 N ATOM 613 CA GLY A 40 3.761 2.017 -6.988 1.00 0.00 C ATOM 614 C GLY A 40 2.768 2.954 -7.688 1.00 0.00 C ATOM 615 O GLY A 40 1.588 2.624 -7.829 1.00 0.00 O ATOM 0 H GLY A 40 4.907 3.331 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.599 1.829 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.274 1.058 -6.811 1.00 0.00 H new ATOM 619 N THR A 41 3.233 4.140 -8.093 1.00 0.00 N ATOM 620 CA THR A 41 2.377 5.241 -8.631 1.00 0.00 C ATOM 621 C THR A 41 3.324 6.341 -9.257 1.00 0.00 C ATOM 622 O THR A 41 4.410 6.580 -8.716 1.00 0.00 O ATOM 623 CB THR A 41 1.476 5.837 -7.503 1.00 0.00 C ATOM 624 OG1 THR A 41 0.605 4.834 -6.991 1.00 0.00 O ATOM 625 CG2 THR A 41 0.545 6.972 -7.905 1.00 0.00 C ATOM 0 H THR A 41 4.224 4.381 -8.063 1.00 0.00 H new ATOM 0 HA THR A 41 1.709 4.858 -9.402 1.00 0.00 H new ATOM 0 HB THR A 41 2.208 6.222 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.665 4.032 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.026 7.299 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.133 7.806 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.139 6.625 -8.679 1.00 0.00 H new ATOM 633 N PRO A 42 2.965 7.078 -10.341 1.00 0.00 N ATOM 634 CA PRO A 42 3.745 8.286 -10.786 1.00 0.00 C ATOM 635 C PRO A 42 3.737 9.491 -9.797 1.00 0.00 C ATOM 636 O PRO A 42 3.123 9.464 -8.723 1.00 0.00 O ATOM 637 CB PRO A 42 3.100 8.576 -12.170 1.00 0.00 C ATOM 638 CG PRO A 42 1.655 8.045 -12.056 1.00 0.00 C ATOM 639 CD PRO A 42 1.801 6.780 -11.198 1.00 0.00 C ATOM 0 HA PRO A 42 4.819 8.106 -10.831 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.112 9.642 -12.395 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.643 8.075 -12.971 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.996 8.775 -11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.233 7.819 -13.035 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.905 6.590 -10.607 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.971 5.896 -11.812 1.00 0.00 H new ATOM 647 N SER A 43 4.491 10.537 -10.148 1.00 0.00 N ATOM 648 CA SER A 43 4.576 11.788 -9.356 1.00 0.00 C ATOM 649 C SER A 43 3.531 12.864 -9.786 1.00 0.00 C ATOM 650 O SER A 43 2.489 12.548 -10.368 1.00 0.00 O ATOM 651 CB SER A 43 6.071 12.209 -9.416 1.00 0.00 C ATOM 652 OG SER A 43 6.477 12.678 -10.703 1.00 0.00 O ATOM 0 H SER A 43 5.065 10.549 -10.991 1.00 0.00 H new ATOM 0 HA SER A 43 4.288 11.644 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.250 12.992 -8.679 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.692 11.358 -9.135 1.00 0.00 H new ATOM 0 HG SER A 43 7.306 12.229 -10.968 1.00 0.00 H new ATOM 658 N ILE A 44 3.779 14.133 -9.430 1.00 0.00 N ATOM 659 CA ILE A 44 2.831 15.256 -9.695 1.00 0.00 C ATOM 660 C ILE A 44 3.636 16.355 -10.482 1.00 0.00 C ATOM 661 O ILE A 44 4.278 17.186 -9.827 1.00 0.00 O ATOM 662 CB ILE A 44 2.166 15.803 -8.376 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.422 14.699 -7.571 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.146 16.926 -8.708 1.00 0.00 C ATOM 665 CD1 ILE A 44 1.035 15.118 -6.156 1.00 0.00 C ATOM 0 H ILE A 44 4.633 14.422 -8.953 1.00 0.00 H new ATOM 0 HA ILE A 44 1.987 14.914 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 44 2.983 16.186 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.521 14.413 -8.114 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.056 13.814 -7.516 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.696 17.293 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.658 17.745 -9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.367 16.529 -9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.521 14.294 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.933 15.376 -5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.374 15.984 -6.201 1.00 0.00 H new ATOM 677 N PRO A 45 3.638 16.409 -11.844 1.00 0.00 N ATOM 678 CA PRO A 45 4.474 17.401 -12.601 1.00 0.00 C ATOM 679 C PRO A 45 3.759 18.744 -12.922 1.00 0.00 C ATOM 680 O PRO A 45 3.432 19.035 -14.077 1.00 0.00 O ATOM 681 CB PRO A 45 4.861 16.556 -13.849 1.00 0.00 C ATOM 682 CG PRO A 45 3.609 15.690 -14.121 1.00 0.00 C ATOM 683 CD PRO A 45 3.113 15.326 -12.712 1.00 0.00 C ATOM 0 HA PRO A 45 5.328 17.779 -12.040 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.099 17.191 -14.702 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.738 15.939 -13.656 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.854 16.240 -14.683 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.854 14.801 -14.703 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.025 15.279 -12.674 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.486 14.351 -12.399 1.00 0.00 H new ATOM 691 N ASP A 46 3.581 19.582 -11.891 1.00 0.00 N ATOM 692 CA ASP A 46 3.130 20.988 -12.054 1.00 0.00 C ATOM 693 C ASP A 46 4.235 21.975 -11.538 1.00 0.00 C ATOM 694 O ASP A 46 4.539 21.941 -10.337 1.00 0.00 O ATOM 695 CB ASP A 46 1.766 21.204 -11.352 1.00 0.00 C ATOM 696 CG ASP A 46 1.206 22.631 -11.454 1.00 0.00 C ATOM 697 OD1 ASP A 46 1.468 23.332 -12.455 1.00 0.00 O ATOM 698 OD2 ASP A 46 0.547 23.084 -10.496 1.00 0.00 O ATOM 0 H ASP A 46 3.743 19.314 -10.920 1.00 0.00 H new ATOM 0 HA ASP A 46 2.979 21.199 -13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.040 20.513 -11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.871 20.945 -10.299 1.00 0.00 H new ATOM 703 N PRO A 47 4.798 22.909 -12.354 1.00 0.00 N ATOM 704 CA PRO A 47 5.581 24.067 -11.819 1.00 0.00 C ATOM 705 C PRO A 47 4.798 25.219 -11.115 1.00 0.00 C ATOM 706 O PRO A 47 5.452 26.046 -10.477 1.00 0.00 O ATOM 707 CB PRO A 47 6.317 24.544 -13.101 1.00 0.00 C ATOM 708 CG PRO A 47 5.311 24.277 -14.243 1.00 0.00 C ATOM 709 CD PRO A 47 4.596 22.981 -13.820 1.00 0.00 C ATOM 0 HA PRO A 47 6.210 23.757 -10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.578 25.601 -13.040 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.246 23.995 -13.253 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.607 25.102 -14.355 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.818 24.158 -15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.536 23.011 -14.074 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.020 22.111 -14.322 1.00 0.00 H new ATOM 717 N PHE A 48 3.455 25.289 -11.198 1.00 0.00 N ATOM 718 CA PHE A 48 2.645 26.294 -10.454 1.00 0.00 C ATOM 719 C PHE A 48 2.491 25.885 -8.960 1.00 0.00 C ATOM 720 O PHE A 48 3.111 26.529 -8.109 1.00 0.00 O ATOM 721 CB PHE A 48 1.333 26.502 -11.250 1.00 0.00 C ATOM 722 CG PHE A 48 0.579 27.830 -11.016 1.00 0.00 C ATOM 723 CD1 PHE A 48 0.301 28.330 -9.729 1.00 0.00 C ATOM 724 CD2 PHE A 48 0.115 28.559 -12.123 1.00 0.00 C ATOM 725 CE1 PHE A 48 -0.404 29.523 -9.559 1.00 0.00 C ATOM 726 CE2 PHE A 48 -0.593 29.752 -11.953 1.00 0.00 C ATOM 727 CZ PHE A 48 -0.850 30.231 -10.672 1.00 0.00 C ATOM 0 H PHE A 48 2.898 24.659 -11.776 1.00 0.00 H new ATOM 0 HA PHE A 48 3.133 27.267 -10.389 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.565 26.426 -12.312 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.657 25.681 -11.011 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.638 27.783 -8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.308 28.192 -13.120 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.603 29.896 -8.565 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.940 30.302 -12.815 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.396 31.153 -10.541 1.00 0.00 H new ATOM 737 N HIS A 49 1.704 24.846 -8.623 1.00 0.00 N ATOM 738 CA HIS A 49 1.732 24.242 -7.269 1.00 0.00 C ATOM 739 C HIS A 49 1.366 22.735 -7.366 1.00 0.00 C ATOM 740 O HIS A 49 0.193 22.351 -7.299 1.00 0.00 O ATOM 741 CB HIS A 49 0.836 25.025 -6.289 1.00 0.00 C ATOM 742 CG HIS A 49 0.977 24.656 -4.801 1.00 0.00 C ATOM 743 ND1 HIS A 49 1.914 23.810 -4.220 1.00 0.00 N ATOM 744 CD2 HIS A 49 0.122 25.141 -3.807 1.00 0.00 C ATOM 745 CE1 HIS A 49 1.518 23.859 -2.913 1.00 0.00 C ATOM 746 NE2 HIS A 49 0.442 24.631 -2.561 1.00 0.00 N ATOM 0 H HIS A 49 1.043 24.406 -9.263 1.00 0.00 H new ATOM 0 HA HIS A 49 2.740 24.308 -6.859 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.052 26.088 -6.401 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.204 24.878 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.690 25.830 -3.989 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.050 23.293 -2.162 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.007 24.784 -1.651 1.00 0.00 H new ATOM 754 N ALA A 50 2.400 21.884 -7.425 1.00 0.00 N ATOM 755 CA ALA A 50 2.230 20.421 -7.286 1.00 0.00 C ATOM 756 C ALA A 50 2.031 20.003 -5.798 1.00 0.00 C ATOM 757 O ALA A 50 2.961 19.995 -4.987 1.00 0.00 O ATOM 758 CB ALA A 50 3.447 19.779 -7.949 1.00 0.00 C ATOM 0 H ALA A 50 3.366 22.179 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 50 1.323 20.073 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.372 18.694 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.484 20.069 -8.999 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.354 20.115 -7.447 1.00 0.00 H new ATOM 764 N GLN A 51 0.772 19.704 -5.481 1.00 0.00 N ATOM 765 CA GLN A 51 0.256 19.629 -4.082 1.00 0.00 C ATOM 766 C GLN A 51 0.382 18.200 -3.453 1.00 0.00 C ATOM 767 O GLN A 51 1.246 17.411 -3.840 1.00 0.00 O ATOM 768 CB GLN A 51 -1.206 20.174 -4.196 1.00 0.00 C ATOM 769 CG GLN A 51 -1.297 21.710 -4.332 1.00 0.00 C ATOM 770 CD GLN A 51 -2.610 22.190 -4.932 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.670 22.127 -4.312 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.592 22.669 -6.152 1.00 0.00 N ATOM 0 H GLN A 51 0.061 19.502 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 51 0.843 20.222 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.688 19.714 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.768 19.864 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.170 22.162 -3.348 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.473 22.061 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.713 22.721 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.457 22.989 -6.587 1.00 0.00 H new ATOM 781 N ARG A 52 -0.469 17.876 -2.461 1.00 0.00 N ATOM 782 CA ARG A 52 -0.732 16.483 -2.008 1.00 0.00 C ATOM 783 C ARG A 52 -1.039 15.458 -3.153 1.00 0.00 C ATOM 784 O ARG A 52 -1.568 15.822 -4.208 1.00 0.00 O ATOM 785 CB ARG A 52 -1.896 16.568 -0.956 1.00 0.00 C ATOM 786 CG ARG A 52 -3.324 16.599 -1.521 1.00 0.00 C ATOM 787 CD ARG A 52 -4.383 17.396 -0.765 1.00 0.00 C ATOM 788 NE ARG A 52 -4.170 18.861 -0.840 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.432 19.632 -1.896 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.007 19.226 -3.002 1.00 0.00 N ATOM 791 NH2 ARG A 52 -4.076 20.881 -1.828 1.00 0.00 N ATOM 0 H ARG A 52 -1.001 18.575 -1.942 1.00 0.00 H new ATOM 0 HA ARG A 52 0.181 16.080 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.813 15.714 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.747 17.464 -0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.272 16.994 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.674 15.570 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.367 17.157 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.384 17.088 0.281 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.790 19.319 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.291 18.251 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.170 19.885 -3.763 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.616 21.235 -0.990 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.257 21.506 -2.613 1.00 0.00 H new ATOM 805 N TRP A 53 -0.790 14.174 -2.899 1.00 0.00 N ATOM 806 CA TRP A 53 -1.315 13.072 -3.773 1.00 0.00 C ATOM 807 C TRP A 53 -2.749 12.698 -3.335 1.00 0.00 C ATOM 808 O TRP A 53 -2.959 11.697 -2.657 1.00 0.00 O ATOM 809 CB TRP A 53 -0.244 11.974 -3.745 1.00 0.00 C ATOM 810 CG TRP A 53 -0.486 10.516 -4.236 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.645 9.902 -4.803 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.389 9.452 -4.015 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.519 8.506 -4.897 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.265 8.244 -4.381 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.695 9.406 -3.427 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.370 6.989 -4.132 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.282 8.172 -3.189 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.629 6.976 -3.537 1.00 0.00 C ATOM 0 H TRP A 53 -0.235 13.851 -2.107 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.457 13.337 -4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.599 12.355 -4.322 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.087 11.897 -2.709 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.519 10.449 -5.123 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.198 7.839 -5.263 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.214 10.318 -3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.119 6.064 -4.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.258 8.129 -2.728 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.113 6.031 -3.339 1.00 0.00 H new ATOM 829 N ASP A 54 -3.739 13.482 -3.769 1.00 0.00 N ATOM 830 CA ASP A 54 -5.181 13.199 -3.561 1.00 0.00 C ATOM 831 C ASP A 54 -5.834 12.438 -4.761 1.00 0.00 C ATOM 832 O ASP A 54 -6.792 12.910 -5.380 1.00 0.00 O ATOM 833 CB ASP A 54 -5.894 14.513 -3.157 1.00 0.00 C ATOM 834 CG ASP A 54 -5.666 15.842 -3.888 1.00 0.00 C ATOM 835 OD1 ASP A 54 -4.874 15.943 -4.848 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.220 16.855 -3.411 1.00 0.00 O ATOM 0 H ASP A 54 -3.570 14.346 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.300 12.495 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.964 14.312 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.649 14.689 -2.110 1.00 0.00 H new ATOM 841 N TYR A 55 -5.304 11.240 -5.088 1.00 0.00 N ATOM 842 CA TYR A 55 -5.571 10.579 -6.393 1.00 0.00 C ATOM 843 C TYR A 55 -5.709 9.033 -6.219 1.00 0.00 C ATOM 844 O TYR A 55 -4.940 8.394 -5.490 1.00 0.00 O ATOM 845 CB TYR A 55 -4.431 10.859 -7.433 1.00 0.00 C ATOM 846 CG TYR A 55 -4.133 12.340 -7.710 1.00 0.00 C ATOM 847 CD1 TYR A 55 -5.147 13.200 -8.165 1.00 0.00 C ATOM 848 CD2 TYR A 55 -2.922 12.900 -7.274 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.007 14.583 -8.042 1.00 0.00 C ATOM 850 CE2 TYR A 55 -2.780 14.284 -7.171 1.00 0.00 C ATOM 851 CZ TYR A 55 -3.837 15.121 -7.514 1.00 0.00 C ATOM 852 OH TYR A 55 -3.874 16.375 -6.988 1.00 0.00 O ATOM 0 H TYR A 55 -4.690 10.708 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.506 10.998 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.516 10.383 -7.079 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.697 10.378 -8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.040 12.788 -8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.095 12.255 -7.017 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.807 15.236 -8.357 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.848 14.706 -6.825 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.557 16.415 -6.286 1.00 0.00 H new ATOM 862 N THR A 56 -6.654 8.431 -6.956 1.00 0.00 N ATOM 863 CA THR A 56 -6.860 6.958 -6.943 1.00 0.00 C ATOM 864 C THR A 56 -5.835 6.240 -7.867 1.00 0.00 C ATOM 865 O THR A 56 -6.041 6.106 -9.077 1.00 0.00 O ATOM 866 CB THR A 56 -8.338 6.620 -7.306 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.244 7.317 -6.457 1.00 0.00 O ATOM 868 CG2 THR A 56 -8.687 5.142 -7.131 1.00 0.00 C ATOM 0 H THR A 56 -7.293 8.934 -7.572 1.00 0.00 H new ATOM 0 HA THR A 56 -6.678 6.582 -5.936 1.00 0.00 H new ATOM 0 HB THR A 56 -8.431 6.909 -8.353 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.165 7.090 -6.705 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.730 4.980 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.047 4.538 -7.775 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.533 4.852 -6.092 1.00 0.00 H new ATOM 1095 N LYS A 70 -6.448 1.854 -4.703 1.00 0.00 N ATOM 1096 CA LYS A 70 -5.394 2.358 -3.782 1.00 0.00 C ATOM 1097 C LYS A 70 -5.358 3.917 -3.800 1.00 0.00 C ATOM 1098 O LYS A 70 -4.483 4.541 -4.412 1.00 0.00 O ATOM 1099 CB LYS A 70 -4.042 1.695 -4.169 1.00 0.00 C ATOM 1100 CG LYS A 70 -3.907 0.230 -3.695 1.00 0.00 C ATOM 1101 CD LYS A 70 -2.848 -0.551 -4.491 1.00 0.00 C ATOM 1102 CE LYS A 70 -2.533 -1.897 -3.822 1.00 0.00 C ATOM 1103 NZ LYS A 70 -1.578 -2.662 -4.663 1.00 0.00 N ATOM 0 HA LYS A 70 -5.610 2.083 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.929 1.728 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.226 2.281 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.645 0.216 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.871 -0.270 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.205 -0.721 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.937 0.042 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.109 -1.731 -2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.450 -2.469 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.367 -3.573 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.999 -2.832 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.699 -2.118 -4.773 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.304 4.542 -3.086 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.375 6.026 -2.946 1.00 0.00 C ATOM 1119 C ASN A 71 -5.671 6.561 -1.661 1.00 0.00 C ATOM 1120 O ASN A 71 -6.295 7.058 -0.720 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.819 6.521 -3.177 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.953 5.963 -2.341 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.572 4.966 -2.700 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.275 6.597 -1.241 1.00 0.00 N ATOM 0 H ASN A 71 -7.044 4.048 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.779 6.478 -3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.817 7.602 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.063 6.332 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.051 6.264 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.750 7.424 -0.957 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.332 6.501 -1.685 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.458 6.961 -0.571 1.00 0.00 C ATOM 1133 C PHE A 72 -3.315 8.506 -0.579 1.00 0.00 C ATOM 1134 O PHE A 72 -2.556 9.056 -1.383 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.124 6.204 -0.804 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.024 6.390 0.247 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.065 5.692 1.463 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.107 7.167 -0.040 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.012 5.735 2.349 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.178 7.226 0.854 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.135 6.499 2.040 1.00 0.00 C ATOM 0 H PHE A 72 -3.811 6.131 -2.480 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.858 6.743 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.347 5.139 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.724 6.512 -1.770 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.941 5.114 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.150 7.726 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.025 5.177 3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.040 7.836 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.973 6.527 2.721 1.00 0.00 H new ATOM 1151 N THR A 73 -4.060 9.203 0.301 1.00 0.00 N ATOM 1152 CA THR A 73 -4.049 10.697 0.333 1.00 0.00 C ATOM 1153 C THR A 73 -2.879 11.199 1.213 1.00 0.00 C ATOM 1154 O THR A 73 -2.967 11.216 2.444 1.00 0.00 O ATOM 1155 CB THR A 73 -5.437 11.252 0.737 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.415 10.753 -0.172 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.522 12.782 0.671 1.00 0.00 C ATOM 0 H THR A 73 -4.672 8.772 0.994 1.00 0.00 H new ATOM 0 HA THR A 73 -3.866 11.089 -0.667 1.00 0.00 H new ATOM 0 HB THR A 73 -5.606 10.936 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.298 11.097 0.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.521 13.104 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.786 13.217 1.347 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.320 13.114 -0.347 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.775 11.576 0.557 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.503 11.933 1.244 1.00 0.00 C ATOM 1167 C VAL A 74 -0.110 13.401 0.944 1.00 0.00 C ATOM 1168 O VAL A 74 -0.070 13.854 -0.202 1.00 0.00 O ATOM 1169 CB VAL A 74 0.609 10.876 0.993 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.938 10.590 -0.470 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.945 11.236 1.679 1.00 0.00 C ATOM 0 H VAL A 74 -1.726 11.646 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.655 11.896 2.323 1.00 0.00 H new ATOM 0 HB VAL A 74 0.159 9.983 1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.726 9.839 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.047 10.220 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.276 11.507 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.683 10.462 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.304 12.192 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.793 11.309 2.756 1.00 0.00 H new ATOM 1181 N PHE A 75 0.195 14.125 2.019 1.00 0.00 N ATOM 1182 CA PHE A 75 0.381 15.588 2.003 1.00 0.00 C ATOM 1183 C PHE A 75 1.878 15.958 1.851 1.00 0.00 C ATOM 1184 O PHE A 75 2.759 15.388 2.504 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.210 16.159 3.322 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.752 16.127 3.359 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.450 15.009 3.850 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.485 17.206 2.852 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -3.845 14.984 3.851 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.880 17.187 2.868 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.558 16.076 3.365 1.00 0.00 C ATOM 0 H PHE A 75 0.323 13.713 2.943 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.136 16.022 1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.179 15.588 4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.129 17.187 3.450 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.900 14.161 4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.966 18.061 2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.370 14.119 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.435 18.035 2.495 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.638 16.062 3.373 1.00 0.00 H new ATOM 1201 N PHE A 76 2.135 16.934 0.982 1.00 0.00 N ATOM 1202 CA PHE A 76 3.500 17.436 0.694 1.00 0.00 C ATOM 1203 C PHE A 76 3.494 18.996 0.805 1.00 0.00 C ATOM 1204 O PHE A 76 2.513 19.638 0.407 1.00 0.00 O ATOM 1205 CB PHE A 76 3.963 17.025 -0.730 1.00 0.00 C ATOM 1206 CG PHE A 76 3.906 15.526 -1.064 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.797 14.610 -0.487 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.922 15.044 -1.936 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.679 13.244 -0.751 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.817 13.682 -2.213 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.691 12.782 -1.615 1.00 0.00 C ATOM 0 H PHE A 76 1.406 17.409 0.449 1.00 0.00 H new ATOM 0 HA PHE A 76 4.192 17.000 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.350 17.560 -1.456 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.989 17.366 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.581 14.964 0.167 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.235 15.737 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.356 12.544 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.057 13.326 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.603 11.725 -1.821 1.00 0.00 H new ATOM 1221 N GLU A 77 4.584 19.609 1.304 1.00 0.00 N ATOM 1222 CA GLU A 77 4.687 21.114 1.345 1.00 0.00 C ATOM 1223 C GLU A 77 4.718 21.760 -0.078 1.00 0.00 C ATOM 1224 O GLU A 77 3.764 22.414 -0.505 1.00 0.00 O ATOM 1225 CB GLU A 77 5.729 21.579 2.389 1.00 0.00 C ATOM 1226 CG GLU A 77 7.112 22.102 1.980 1.00 0.00 C ATOM 1227 CD GLU A 77 8.133 21.151 1.392 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.779 20.268 0.583 1.00 0.00 O ATOM 1229 OE2 GLU A 77 9.328 21.309 1.711 1.00 0.00 O ATOM 0 H GLU A 77 5.395 19.118 1.679 1.00 0.00 H new ATOM 0 HA GLU A 77 3.760 21.534 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.256 22.366 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.897 20.738 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.956 22.901 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.562 22.557 2.863 1.00 0.00 H new ATOM 1236 N ASN A 78 5.765 21.443 -0.840 1.00 0.00 N ATOM 1237 CA ASN A 78 5.639 21.139 -2.284 1.00 0.00 C ATOM 1238 C ASN A 78 6.189 19.697 -2.531 1.00 0.00 C ATOM 1239 O ASN A 78 5.411 18.854 -2.981 1.00 0.00 O ATOM 1240 CB ASN A 78 6.296 22.250 -3.129 1.00 0.00 C ATOM 1241 CG ASN A 78 5.948 22.198 -4.616 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.216 21.230 -5.323 1.00 0.00 O ATOM 1243 ND2 ASN A 78 5.357 23.234 -5.161 1.00 0.00 N ATOM 0 H ASN A 78 6.720 21.387 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 78 4.598 21.136 -2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.995 23.219 -2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.378 22.182 -3.019 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.128 23.226 -6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.126 24.048 -4.591 1.00 0.00 H new ATOM 1250 N GLU A 79 7.481 19.414 -2.265 1.00 0.00 N ATOM 1251 CA GLU A 79 8.070 18.065 -2.463 1.00 0.00 C ATOM 1252 C GLU A 79 8.118 17.143 -1.198 1.00 0.00 C ATOM 1253 O GLU A 79 7.850 15.948 -1.356 1.00 0.00 O ATOM 1254 CB GLU A 79 9.487 18.201 -3.099 1.00 0.00 C ATOM 1255 CG GLU A 79 9.894 16.947 -3.904 1.00 0.00 C ATOM 1256 CD GLU A 79 11.380 16.784 -4.148 1.00 0.00 C ATOM 1257 OE1 GLU A 79 11.888 17.333 -5.146 1.00 0.00 O ATOM 1258 OE2 GLU A 79 12.036 16.050 -3.375 1.00 0.00 O ATOM 0 H GLU A 79 8.143 20.104 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 79 7.384 17.551 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.506 19.072 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.220 18.378 -2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.531 16.065 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.386 16.974 -4.868 1.00 0.00 H new ATOM 1265 N GLN A 80 8.511 17.626 0.000 1.00 0.00 N ATOM 1266 CA GLN A 80 8.809 16.732 1.159 1.00 0.00 C ATOM 1267 C GLN A 80 7.549 16.271 1.929 1.00 0.00 C ATOM 1268 O GLN A 80 6.543 16.984 2.003 1.00 0.00 O ATOM 1269 CB GLN A 80 9.934 17.341 2.035 1.00 0.00 C ATOM 1270 CG GLN A 80 9.520 18.256 3.199 1.00 0.00 C ATOM 1271 CD GLN A 80 10.699 18.929 3.888 1.00 0.00 C ATOM 1272 OE1 GLN A 80 11.321 18.385 4.795 1.00 0.00 O ATOM 1273 NE2 GLN A 80 11.041 20.133 3.504 1.00 0.00 N ATOM 0 H GLN A 80 8.631 18.619 0.197 1.00 0.00 H new ATOM 0 HA GLN A 80 9.200 15.792 0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.520 16.519 2.447 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.597 17.909 1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.841 19.023 2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.966 17.670 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.529 20.593 2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.819 20.611 3.958 1.00 0.00 H new ATOM 1282 N VAL A 81 7.597 15.055 2.492 1.00 0.00 N ATOM 1283 CA VAL A 81 6.369 14.349 2.950 1.00 0.00 C ATOM 1284 C VAL A 81 5.967 14.773 4.403 1.00 0.00 C ATOM 1285 O VAL A 81 6.790 14.767 5.323 1.00 0.00 O ATOM 1286 CB VAL A 81 6.483 12.783 2.878 1.00 0.00 C ATOM 1287 CG1 VAL A 81 5.079 12.153 2.780 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.365 12.193 1.766 1.00 0.00 C ATOM 0 H VAL A 81 8.461 14.535 2.645 1.00 0.00 H new ATOM 0 HA VAL A 81 5.590 14.655 2.252 1.00 0.00 H new ATOM 0 HB VAL A 81 6.995 12.528 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.170 11.068 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.494 12.429 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.579 12.516 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.355 11.105 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.980 12.501 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.387 12.554 1.882 1.00 0.00 H new ATOM 1298 N VAL A 82 4.685 15.103 4.571 1.00 0.00 N ATOM 1299 CA VAL A 82 4.140 15.660 5.842 1.00 0.00 C ATOM 1300 C VAL A 82 3.367 14.538 6.609 1.00 0.00 C ATOM 1301 O VAL A 82 3.817 14.131 7.681 1.00 0.00 O ATOM 1302 CB VAL A 82 3.327 16.960 5.527 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.657 17.593 6.763 1.00 0.00 C ATOM 1304 CG2 VAL A 82 4.212 18.069 4.893 1.00 0.00 C ATOM 0 H VAL A 82 3.983 14.997 3.838 1.00 0.00 H new ATOM 0 HA VAL A 82 4.927 15.977 6.526 1.00 0.00 H new ATOM 0 HB VAL A 82 2.562 16.616 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.113 18.489 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.963 16.879 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.420 17.860 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.603 18.950 4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.015 18.332 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.640 17.704 3.959 1.00 0.00 H new ATOM 1314 N ARG A 83 2.227 14.049 6.080 1.00 0.00 N ATOM 1315 CA ARG A 83 1.432 12.941 6.696 1.00 0.00 C ATOM 1316 C ARG A 83 0.495 12.254 5.647 1.00 0.00 C ATOM 1317 O ARG A 83 0.257 12.787 4.558 1.00 0.00 O ATOM 1318 CB ARG A 83 0.738 13.364 8.013 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.202 14.577 8.020 1.00 0.00 C ATOM 1320 CD ARG A 83 -1.609 14.372 7.456 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.436 13.381 8.185 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.086 13.594 9.324 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -2.942 14.665 10.062 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.914 12.678 9.721 1.00 0.00 N ATOM 0 H ARG A 83 1.823 14.404 5.214 1.00 0.00 H new ATOM 0 HA ARG A 83 2.129 12.164 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.167 12.507 8.370 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.521 13.554 8.747 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.297 14.925 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.275 15.378 7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.129 15.330 7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.525 14.058 6.415 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.513 12.450 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.298 15.401 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.474 14.764 10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.046 11.834 9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.433 12.802 10.590 1.00 0.00 H new ATOM 1338 N TRP A 84 0.011 11.041 5.960 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.628 10.140 4.968 1.00 0.00 C ATOM 1340 C TRP A 84 -1.874 9.377 5.503 1.00 0.00 C ATOM 1341 O TRP A 84 -1.824 8.713 6.541 1.00 0.00 O ATOM 1342 CB TRP A 84 0.378 9.158 4.328 1.00 0.00 C ATOM 1343 CG TRP A 84 1.347 8.346 5.217 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.169 7.032 5.728 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.648 8.700 5.582 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.295 6.599 6.447 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.195 7.637 6.342 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.464 9.831 5.244 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.544 7.704 6.791 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.777 9.871 5.692 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.308 8.824 6.466 1.00 0.00 C ATOM 0 H TRP A 84 0.048 10.652 6.902 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.992 10.814 4.193 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.198 8.443 3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.986 9.730 3.627 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.278 6.440 5.582 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.419 5.713 6.938 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.063 10.639 4.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.969 6.900 7.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.399 10.718 5.443 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.328 8.889 6.816 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.950 9.427 4.707 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.216 8.710 4.981 1.00 0.00 C ATOM 1364 C GLU A 85 -4.353 7.528 3.973 1.00 0.00 C ATOM 1365 O GLU A 85 -4.632 7.717 2.781 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.404 9.701 4.857 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.762 10.479 6.137 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.692 11.379 6.713 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -4.485 12.497 6.206 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -4.058 10.991 7.720 1.00 0.00 O ATOM 0 H GLU A 85 -2.973 9.970 3.844 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.218 8.305 5.993 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.173 10.419 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.284 9.145 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.642 11.088 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.048 9.758 6.903 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.158 6.303 4.479 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.271 5.081 3.658 1.00 0.00 C ATOM 1379 C GLY A 86 -5.669 4.460 3.575 1.00 0.00 C ATOM 1380 O GLY A 86 -5.922 3.412 4.170 1.00 0.00 O ATOM 0 H GLY A 86 -3.920 6.127 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.937 5.313 2.647 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.585 4.334 4.057 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.523 5.068 2.746 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.785 4.430 2.277 1.00 0.00 C ATOM 1386 C ASP A 87 -7.475 3.638 0.970 1.00 0.00 C ATOM 1387 O ASP A 87 -7.441 4.176 -0.140 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.837 5.545 2.148 1.00 0.00 C ATOM 1389 CG ASP A 87 -10.242 5.040 1.841 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -10.842 4.369 2.708 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -10.754 5.312 0.734 1.00 0.00 O ATOM 0 H ASP A 87 -6.373 6.007 2.377 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.197 3.695 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.862 6.116 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.529 6.232 1.360 1.00 0.00 H new ATOM 1396 N TYR A 88 -7.121 2.359 1.145 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.429 1.563 0.100 1.00 0.00 C ATOM 1398 C TYR A 88 -6.587 0.028 0.313 1.00 0.00 C ATOM 1399 O TYR A 88 -6.865 -0.438 1.421 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.945 2.007 -0.052 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.911 1.889 1.082 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -4.152 1.332 2.356 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -2.628 2.375 0.812 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -3.139 1.281 3.317 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.612 2.314 1.774 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.870 1.767 3.025 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.884 1.712 3.965 1.00 0.00 O ATOM 0 H TYR A 88 -7.300 1.841 2.005 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.922 1.773 -0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.541 1.450 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.965 3.057 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.131 0.941 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.417 2.805 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.343 0.862 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.627 2.692 1.543 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.059 2.093 3.597 1.00 0.00 H new ATOM 1667 N GLY A 105 18.057 -17.949 -26.984 1.00 0.00 N ATOM 1668 CA GLY A 105 19.425 -18.288 -27.449 1.00 0.00 C ATOM 1669 C GLY A 105 19.793 -17.543 -28.747 1.00 0.00 C ATOM 1670 O GLY A 105 20.543 -16.566 -28.715 1.00 0.00 O ATOM 0 HA2 GLY A 105 20.145 -18.038 -26.670 1.00 0.00 H new ATOM 0 HA3 GLY A 105 19.496 -19.363 -27.615 1.00 0.00 H new ATOM 1674 N ARG A 106 19.196 -17.966 -29.868 1.00 0.00 N ATOM 1675 CA ARG A 106 19.003 -17.067 -31.043 1.00 0.00 C ATOM 1676 C ARG A 106 17.587 -17.336 -31.635 1.00 0.00 C ATOM 1677 O ARG A 106 17.435 -18.029 -32.645 1.00 0.00 O ATOM 1678 CB ARG A 106 20.179 -17.274 -32.027 1.00 0.00 C ATOM 1679 CG ARG A 106 20.217 -16.249 -33.177 1.00 0.00 C ATOM 1680 CD ARG A 106 21.416 -16.409 -34.126 1.00 0.00 C ATOM 1681 NE ARG A 106 22.687 -15.916 -33.531 1.00 0.00 N ATOM 1682 CZ ARG A 106 23.661 -16.672 -33.028 1.00 0.00 C ATOM 1683 NH1 ARG A 106 23.615 -17.979 -32.968 1.00 0.00 N ATOM 1684 NH2 ARG A 106 24.720 -16.078 -32.561 1.00 0.00 N ATOM 0 H ARG A 106 18.837 -18.912 -29.999 1.00 0.00 H new ATOM 0 HA ARG A 106 19.026 -16.010 -30.777 1.00 0.00 H new ATOM 0 HB2 ARG A 106 21.117 -17.220 -31.474 1.00 0.00 H new ATOM 0 HB3 ARG A 106 20.115 -18.277 -32.449 1.00 0.00 H new ATOM 0 HG2 ARG A 106 19.297 -16.334 -33.755 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.235 -15.245 -32.753 1.00 0.00 H new ATOM 0 HD2 ARG A 106 21.527 -17.460 -34.391 1.00 0.00 H new ATOM 0 HD3 ARG A 106 21.218 -15.867 -35.050 1.00 0.00 H new ATOM 0 HE ARG A 106 22.825 -14.906 -33.506 1.00 0.00 H new ATOM 0 HH11 ARG A 106 22.797 -18.477 -33.320 1.00 0.00 H new ATOM 0 HH12 ARG A 106 24.397 -18.499 -32.570 1.00 0.00 H new ATOM 0 HH21 ARG A 106 24.787 -15.061 -32.587 1.00 0.00 H new ATOM 0 HH22 ARG A 106 25.483 -16.630 -32.169 1.00 0.00 H new ATOM 1698 N ASN A 107 16.549 -16.795 -30.978 1.00 0.00 N ATOM 1699 CA ASN A 107 15.133 -17.110 -31.311 1.00 0.00 C ATOM 1700 C ASN A 107 14.481 -15.900 -32.049 1.00 0.00 C ATOM 1701 O ASN A 107 13.813 -15.060 -31.440 1.00 0.00 O ATOM 1702 CB ASN A 107 14.363 -17.493 -30.019 1.00 0.00 C ATOM 1703 CG ASN A 107 14.796 -18.806 -29.376 1.00 0.00 C ATOM 1704 OD1 ASN A 107 15.729 -18.868 -28.581 1.00 0.00 O ATOM 1705 ND2 ASN A 107 14.147 -19.902 -29.686 1.00 0.00 N ATOM 0 H ASN A 107 16.655 -16.134 -30.209 1.00 0.00 H new ATOM 0 HA ASN A 107 15.090 -17.966 -31.985 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.485 -16.692 -29.290 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.300 -17.553 -30.252 1.00 0.00 H new ATOM 0 HD21 ASN A 107 14.419 -20.792 -29.268 1.00 0.00 H new ATOM 0 HD22 ASN A 107 13.370 -19.865 -30.345 1.00 0.00 H new ATOM 1712 N LEU A 108 14.706 -15.818 -33.369 1.00 0.00 N ATOM 1713 CA LEU A 108 14.239 -14.679 -34.204 1.00 0.00 C ATOM 1714 C LEU A 108 13.771 -15.233 -35.579 1.00 0.00 C ATOM 1715 O LEU A 108 14.592 -15.575 -36.434 1.00 0.00 O ATOM 1716 CB LEU A 108 15.388 -13.645 -34.297 1.00 0.00 C ATOM 1717 CG LEU A 108 15.096 -12.226 -34.827 1.00 0.00 C ATOM 1718 CD1 LEU A 108 14.784 -12.165 -36.323 1.00 0.00 C ATOM 1719 CD2 LEU A 108 14.020 -11.487 -34.026 1.00 0.00 C ATOM 0 H LEU A 108 15.213 -16.530 -33.894 1.00 0.00 H new ATOM 0 HA LEU A 108 13.383 -14.164 -33.769 1.00 0.00 H new ATOM 0 HB2 LEU A 108 15.813 -13.539 -33.299 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.164 -14.076 -34.930 1.00 0.00 H new ATOM 0 HG LEU A 108 16.041 -11.703 -34.680 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.591 -11.132 -36.613 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.634 -12.547 -36.888 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.904 -12.772 -36.536 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.865 -10.496 -34.453 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.087 -12.049 -34.065 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.341 -11.389 -32.989 1.00 0.00 H new ATOM 1731 N ALA A 109 12.449 -15.297 -35.779 1.00 0.00 N ATOM 1732 CA ALA A 109 11.836 -15.571 -37.092 1.00 0.00 C ATOM 1733 C ALA A 109 11.072 -14.306 -37.581 1.00 0.00 C ATOM 1734 O ALA A 109 10.269 -13.700 -36.862 1.00 0.00 O ATOM 1735 CB ALA A 109 10.883 -16.761 -36.928 1.00 0.00 C ATOM 0 H ALA A 109 11.767 -15.160 -35.033 1.00 0.00 H new ATOM 0 HA ALA A 109 12.595 -15.813 -37.836 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.414 -16.986 -37.886 1.00 0.00 H new ATOM 0 HB2 ALA A 109 11.443 -17.631 -36.584 1.00 0.00 H new ATOM 0 HB3 ALA A 109 10.113 -16.513 -36.197 1.00 0.00 H new ATOM 1741 N ARG A 110 11.365 -13.938 -38.824 1.00 0.00 N ATOM 1742 CA ARG A 110 10.637 -12.855 -39.548 1.00 0.00 C ATOM 1743 C ARG A 110 10.428 -13.325 -41.027 1.00 0.00 C ATOM 1744 O ARG A 110 11.151 -12.921 -41.943 1.00 0.00 O ATOM 1745 CB ARG A 110 11.411 -11.511 -39.469 1.00 0.00 C ATOM 1746 CG ARG A 110 11.373 -10.837 -38.082 1.00 0.00 C ATOM 1747 CD ARG A 110 12.180 -9.532 -38.058 1.00 0.00 C ATOM 1748 NE ARG A 110 12.124 -8.962 -36.688 1.00 0.00 N ATOM 1749 CZ ARG A 110 12.780 -7.880 -36.279 1.00 0.00 C ATOM 1750 NH1 ARG A 110 13.569 -7.174 -37.049 1.00 0.00 N ATOM 1751 NH2 ARG A 110 12.628 -7.500 -35.045 1.00 0.00 N ATOM 0 H ARG A 110 12.109 -14.369 -39.373 1.00 0.00 H new ATOM 0 HA ARG A 110 9.668 -12.673 -39.084 1.00 0.00 H new ATOM 0 HB2 ARG A 110 12.450 -11.687 -39.746 1.00 0.00 H new ATOM 0 HB3 ARG A 110 10.997 -10.823 -40.206 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.339 -10.629 -37.807 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.770 -11.523 -37.334 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.214 -9.722 -38.346 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.773 -8.823 -38.779 1.00 0.00 H new ATOM 0 HE ARG A 110 11.535 -9.439 -36.006 1.00 0.00 H new ATOM 0 HH11 ARG A 110 13.708 -7.445 -38.022 1.00 0.00 H new ATOM 0 HH12 ARG A 110 14.045 -6.353 -36.675 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.019 -8.028 -34.420 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.118 -6.674 -34.702 1.00 0.00 H new ATOM 1765 N ASP A 111 9.459 -14.234 -41.215 1.00 0.00 N ATOM 1766 CA ASP A 111 9.502 -15.202 -42.334 1.00 0.00 C ATOM 1767 C ASP A 111 8.146 -15.302 -43.109 1.00 0.00 C ATOM 1768 O ASP A 111 7.048 -15.172 -42.560 1.00 0.00 O ATOM 1769 CB ASP A 111 9.861 -16.607 -41.772 1.00 0.00 C ATOM 1770 CG ASP A 111 11.323 -16.802 -41.390 1.00 0.00 C ATOM 1771 OD1 ASP A 111 11.736 -16.357 -40.295 1.00 0.00 O ATOM 1772 OD2 ASP A 111 12.065 -17.417 -42.186 1.00 0.00 O ATOM 0 H ASP A 111 8.640 -14.323 -40.614 1.00 0.00 H new ATOM 0 HA ASP A 111 10.254 -14.847 -43.038 1.00 0.00 H new ATOM 0 HB2 ASP A 111 9.245 -16.797 -40.893 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.594 -17.357 -42.517 1.00 0.00 H new ATOM 1777 N LYS A 112 8.275 -15.651 -44.396 1.00 0.00 N ATOM 1778 CA LYS A 112 7.162 -16.251 -45.186 1.00 0.00 C ATOM 1779 C LYS A 112 7.705 -17.561 -45.844 1.00 0.00 C ATOM 1780 O LYS A 112 8.018 -17.607 -47.037 1.00 0.00 O ATOM 1781 CB LYS A 112 6.649 -15.176 -46.171 1.00 0.00 C ATOM 1782 CG LYS A 112 5.357 -15.567 -46.917 1.00 0.00 C ATOM 1783 CD LYS A 112 4.873 -14.417 -47.825 1.00 0.00 C ATOM 1784 CE LYS A 112 3.578 -14.781 -48.567 1.00 0.00 C ATOM 1785 NZ LYS A 112 3.150 -13.634 -49.417 1.00 0.00 N ATOM 0 H LYS A 112 9.139 -15.532 -44.925 1.00 0.00 H new ATOM 0 HA LYS A 112 6.300 -16.545 -44.588 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.472 -14.251 -45.622 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.429 -14.968 -46.903 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.535 -16.459 -47.518 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.579 -15.818 -46.196 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.708 -13.524 -47.223 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.651 -14.174 -48.549 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.737 -15.665 -49.185 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.794 -15.029 -47.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.273 -13.882 -49.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.982 -12.801 -48.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.896 -13.418 -50.109 1.00 0.00 H new