USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 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 31 HIS : no HE2:sc= -3.64! X(o=-3.8!,f=-3.5) USER MOD Set 1.2: A 45 MET CE :methyl 173:sc= 0 (180deg=-0.0402) USER MOD Set 1.3: A 49 HIS : no HD1:sc= -0.202 K(o=-3.8,f=-4.5) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.522 K(o=0.65,f=-0.52) USER MOD Set 2.2: A 35 CYS SG : rot -70:sc= 0.124 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -158:sc= -0.801 (180deg=-1.24) USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= 0.00736 (180deg=-0.738) USER MOD Single : A 30 SER OG : rot -99:sc= 1.15 USER MOD Single : A 36 GLN : amide:sc= 0.501 K(o=0.5,f=-0.093) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 141:sc= 0.162 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.113 F(o=-0.85,f=-0.11) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 51:sc= 1.03 USER MOD Single : A 56 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : A 58 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -117:sc= -0.0502 (180deg=-0.0936) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 175:sc= -1 (180deg=-1.01) USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00104) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.987 X(o=-0.99,f=-1.2) USER MOD Single : A 79 SER OG : rot 91:sc= 0.304 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00608 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.895 12.421 14.881 1.00 0.00 N ATOM 285 CA TYR A 18 5.694 12.119 16.073 1.00 0.00 C ATOM 286 C TYR A 18 6.657 10.962 16.363 1.00 0.00 C ATOM 287 O TYR A 18 7.823 11.216 16.639 1.00 0.00 O ATOM 288 CB TYR A 18 4.960 12.596 17.382 1.00 0.00 C ATOM 289 CG TYR A 18 3.437 12.489 17.312 1.00 0.00 C ATOM 290 CD1 TYR A 18 2.850 11.250 17.092 1.00 0.00 C ATOM 291 CD2 TYR A 18 2.587 13.584 17.486 1.00 0.00 C ATOM 292 CE1 TYR A 18 1.480 11.109 17.009 1.00 0.00 C ATOM 293 CE2 TYR A 18 1.210 13.437 17.412 1.00 0.00 C ATOM 294 CZ TYR A 18 0.661 12.200 17.165 1.00 0.00 C ATOM 295 OH TYR A 18 -0.727 11.996 17.064 1.00 0.00 O ATOM 0 HA TYR A 18 6.528 12.655 15.621 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.318 12.003 18.224 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.233 13.632 17.583 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.479 10.379 16.984 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.008 14.559 17.681 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.050 10.136 16.821 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.568 14.295 17.548 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.193 12.848 17.195 1.00 0.00 H new ATOM 305 N ASP A 19 6.232 9.673 16.398 1.00 0.00 N ATOM 306 CA ASP A 19 7.044 8.609 17.026 1.00 0.00 C ATOM 307 C ASP A 19 7.781 7.694 16.056 1.00 0.00 C ATOM 308 O ASP A 19 8.445 8.145 15.125 1.00 0.00 O ATOM 309 CB ASP A 19 6.116 7.826 18.020 1.00 0.00 C ATOM 310 CG ASP A 19 6.864 7.080 19.138 1.00 0.00 C ATOM 311 OD1 ASP A 19 7.630 7.745 19.884 1.00 0.00 O ATOM 312 OD2 ASP A 19 6.669 5.841 19.257 1.00 0.00 O ATOM 0 H ASP A 19 5.347 9.353 16.005 1.00 0.00 H new ATOM 0 HA ASP A 19 7.866 9.084 17.561 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.417 8.528 18.474 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.524 7.107 17.454 1.00 0.00 H new ATOM 317 N MET A 20 7.630 6.334 16.223 1.00 0.00 N ATOM 318 CA MET A 20 8.194 5.207 15.453 1.00 0.00 C ATOM 319 C MET A 20 7.878 5.265 13.960 1.00 0.00 C ATOM 320 O MET A 20 8.585 4.762 13.097 1.00 0.00 O ATOM 321 CB MET A 20 8.035 3.803 16.114 1.00 0.00 C ATOM 322 CG MET A 20 6.866 2.916 15.651 1.00 0.00 C ATOM 323 SD MET A 20 7.332 1.216 15.204 1.00 0.00 S ATOM 324 CE MET A 20 8.603 1.487 13.927 1.00 0.00 C ATOM 0 H MET A 20 7.047 5.985 16.983 1.00 0.00 H new ATOM 0 HA MET A 20 9.272 5.361 15.504 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.960 3.250 15.950 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.938 3.949 17.190 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.121 2.877 16.445 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.390 3.386 14.790 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.690 0.596 13.305 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.319 2.337 13.306 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.561 1.691 14.405 1.00 0.00 H new ATOM 334 N VAL A 21 6.766 5.974 13.672 1.00 0.00 N ATOM 335 CA VAL A 21 6.267 6.388 12.335 1.00 0.00 C ATOM 336 C VAL A 21 7.238 7.242 11.496 1.00 0.00 C ATOM 337 O VAL A 21 7.283 7.094 10.274 1.00 0.00 O ATOM 338 CB VAL A 21 4.865 7.052 12.431 1.00 0.00 C ATOM 339 CG1 VAL A 21 3.864 6.070 13.091 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.855 8.405 13.221 1.00 0.00 C ATOM 0 H VAL A 21 6.147 6.297 14.416 1.00 0.00 H new ATOM 0 HA VAL A 21 6.182 5.454 11.780 1.00 0.00 H new ATOM 0 HB VAL A 21 4.571 7.285 11.408 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.883 6.540 13.156 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.793 5.164 12.490 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.211 5.815 14.092 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.842 8.806 13.244 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.201 8.234 14.240 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.516 9.118 12.729 1.00 0.00 H new ATOM 350 N VAL A 22 8.072 8.124 12.134 1.00 0.00 N ATOM 351 CA VAL A 22 9.079 9.016 11.517 1.00 0.00 C ATOM 352 C VAL A 22 10.159 8.341 10.645 1.00 0.00 C ATOM 353 O VAL A 22 10.515 8.833 9.581 1.00 0.00 O ATOM 354 CB VAL A 22 9.709 9.956 12.553 1.00 0.00 C ATOM 355 CG1 VAL A 22 10.728 10.947 11.945 1.00 0.00 C ATOM 356 CG2 VAL A 22 8.587 10.776 13.215 1.00 0.00 C ATOM 0 H VAL A 22 8.049 8.228 13.148 1.00 0.00 H new ATOM 0 HA VAL A 22 8.496 9.596 10.802 1.00 0.00 H new ATOM 0 HB VAL A 22 10.245 9.330 13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.134 11.581 12.733 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.538 10.392 11.473 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.231 11.568 11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.017 11.450 13.955 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.064 11.357 12.455 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.884 10.102 13.704 1.00 0.00 H new ATOM 366 N LYS A 23 10.698 7.174 11.056 1.00 0.00 N ATOM 367 CA LYS A 23 11.636 6.329 10.320 1.00 0.00 C ATOM 368 C LYS A 23 11.033 5.521 9.163 1.00 0.00 C ATOM 369 O LYS A 23 11.709 5.248 8.177 1.00 0.00 O ATOM 370 CB LYS A 23 12.539 5.489 11.269 1.00 0.00 C ATOM 371 CG LYS A 23 11.802 4.633 12.316 1.00 0.00 C ATOM 372 CD LYS A 23 11.906 5.165 13.760 1.00 0.00 C ATOM 373 CE LYS A 23 11.277 6.547 13.987 1.00 0.00 C ATOM 374 NZ LYS A 23 11.348 6.946 15.410 1.00 0.00 N ATOM 0 H LYS A 23 10.470 6.780 11.969 1.00 0.00 H new ATOM 0 HA LYS A 23 12.290 7.031 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.159 4.830 10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.213 6.167 11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.749 4.569 12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.201 3.619 12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.429 4.450 14.430 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.958 5.211 14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.791 7.287 13.374 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.236 6.532 13.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.454 7.400 15.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.507 6.104 15.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.132 7.615 15.544 1.00 0.00 H new ATOM 388 N ILE A 24 9.723 5.134 9.236 1.00 0.00 N ATOM 389 CA ILE A 24 8.971 4.396 8.197 1.00 0.00 C ATOM 390 C ILE A 24 8.533 5.242 7.004 1.00 0.00 C ATOM 391 O ILE A 24 8.584 4.783 5.862 1.00 0.00 O ATOM 392 CB ILE A 24 7.869 3.467 8.759 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.443 2.014 8.790 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.494 3.563 8.008 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.561 1.040 9.566 1.00 0.00 C ATOM 0 H ILE A 24 9.150 5.340 10.054 1.00 0.00 H new ATOM 0 HA ILE A 24 9.709 3.716 7.770 1.00 0.00 H new ATOM 0 HB ILE A 24 7.619 3.796 9.768 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.560 1.654 7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.437 2.031 9.238 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.780 2.879 8.467 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.114 4.582 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.632 3.294 6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.013 0.048 9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.464 1.379 10.597 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.574 0.996 9.105 1.00 0.00 H new ATOM 407 N ILE A 25 8.140 6.543 7.229 1.00 0.00 N ATOM 408 CA ILE A 25 7.708 7.566 6.234 1.00 0.00 C ATOM 409 C ILE A 25 8.710 7.789 5.104 1.00 0.00 C ATOM 410 O ILE A 25 8.343 8.064 3.965 1.00 0.00 O ATOM 411 CB ILE A 25 7.141 8.893 6.794 1.00 0.00 C ATOM 412 CG1 ILE A 25 8.083 9.582 7.812 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.757 8.587 7.406 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.479 10.749 8.626 1.00 0.00 C ATOM 0 H ILE A 25 8.119 6.919 8.177 1.00 0.00 H new ATOM 0 HA ILE A 25 6.832 7.087 5.797 1.00 0.00 H new ATOM 0 HB ILE A 25 7.049 9.612 5.980 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.441 8.827 8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.954 9.956 7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.328 9.503 7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.098 8.188 6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.867 7.854 8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.234 11.149 9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.149 11.534 7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.628 10.388 9.204 1.00 0.00 H new ATOM 426 N ASP A 26 10.018 7.584 5.427 1.00 0.00 N ATOM 427 CA ASP A 26 11.172 7.555 4.535 1.00 0.00 C ATOM 428 C ASP A 26 11.255 6.328 3.608 1.00 0.00 C ATOM 429 O ASP A 26 11.934 6.412 2.589 1.00 0.00 O ATOM 430 CB ASP A 26 12.511 7.652 5.324 1.00 0.00 C ATOM 431 CG ASP A 26 12.520 8.912 6.196 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.409 10.029 5.626 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.643 8.768 7.442 1.00 0.00 O ATOM 0 H ASP A 26 10.294 7.424 6.396 1.00 0.00 H new ATOM 0 HA ASP A 26 11.022 8.430 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.639 6.768 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.350 7.676 4.629 1.00 0.00 H new ATOM 438 N VAL A 27 10.554 5.168 3.894 1.00 0.00 N ATOM 439 CA VAL A 27 10.515 3.986 2.999 1.00 0.00 C ATOM 440 C VAL A 27 9.602 4.253 1.792 1.00 0.00 C ATOM 441 O VAL A 27 10.039 4.161 0.649 1.00 0.00 O ATOM 442 CB VAL A 27 10.292 2.563 3.602 1.00 0.00 C ATOM 443 CG1 VAL A 27 11.092 2.311 4.898 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.830 2.136 3.827 1.00 0.00 C ATOM 0 H VAL A 27 10.011 5.046 4.749 1.00 0.00 H new ATOM 0 HA VAL A 27 11.559 3.899 2.699 1.00 0.00 H new ATOM 0 HB VAL A 27 10.678 1.933 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.889 1.303 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 27 12.158 2.415 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.795 3.036 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.805 1.131 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.350 2.831 4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.298 2.143 2.876 1.00 0.00 H new ATOM 454 N LEU A 28 8.310 4.663 1.993 1.00 0.00 N ATOM 455 CA LEU A 28 7.303 4.970 0.968 1.00 0.00 C ATOM 456 C LEU A 28 7.639 6.067 -0.020 1.00 0.00 C ATOM 457 O LEU A 28 7.558 5.855 -1.228 1.00 0.00 O ATOM 458 CB LEU A 28 5.868 5.276 1.514 1.00 0.00 C ATOM 459 CG LEU A 28 5.123 4.159 2.286 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.089 2.822 1.543 1.00 0.00 C ATOM 461 CD2 LEU A 28 5.682 3.897 3.678 1.00 0.00 C ATOM 0 H LEU A 28 7.940 4.790 2.935 1.00 0.00 H new ATOM 0 HA LEU A 28 7.316 4.017 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.940 6.143 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.246 5.568 0.668 1.00 0.00 H new ATOM 0 HG LEU A 28 4.112 4.557 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.552 2.086 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.583 2.950 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.108 2.475 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.109 3.103 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.726 3.595 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.611 4.806 4.276 1.00 0.00 H new ATOM 473 N ARG A 29 8.104 7.249 0.460 1.00 0.00 N ATOM 474 CA ARG A 29 8.586 8.404 -0.340 1.00 0.00 C ATOM 475 C ARG A 29 9.647 8.072 -1.407 1.00 0.00 C ATOM 476 O ARG A 29 9.790 8.764 -2.399 1.00 0.00 O ATOM 477 CB ARG A 29 9.062 9.522 0.626 1.00 0.00 C ATOM 478 CG ARG A 29 9.363 10.912 0.015 1.00 0.00 C ATOM 479 CD ARG A 29 8.234 11.523 -0.839 1.00 0.00 C ATOM 480 NE ARG A 29 6.975 11.632 -0.013 1.00 0.00 N ATOM 481 CZ ARG A 29 5.733 11.230 -0.433 1.00 0.00 C ATOM 482 NH1 ARG A 29 5.546 10.672 -1.664 1.00 0.00 N ATOM 483 NH2 ARG A 29 4.663 11.386 0.402 1.00 0.00 N ATOM 0 H ARG A 29 8.155 7.431 1.462 1.00 0.00 H new ATOM 0 HA ARG A 29 7.738 8.749 -0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.300 9.650 1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.964 9.172 1.127 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.595 11.603 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.258 10.832 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.530 12.508 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.052 10.903 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 29 7.054 12.032 0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.339 10.547 -2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.613 10.380 -1.955 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.793 11.798 1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.734 11.091 0.101 1.00 0.00 H new ATOM 497 N SER A 30 10.430 6.992 -1.177 1.00 0.00 N ATOM 498 CA SER A 30 11.586 6.505 -1.934 1.00 0.00 C ATOM 499 C SER A 30 11.255 5.866 -3.279 1.00 0.00 C ATOM 500 O SER A 30 11.725 6.292 -4.333 1.00 0.00 O ATOM 501 CB SER A 30 12.413 5.530 -1.012 1.00 0.00 C ATOM 502 OG SER A 30 12.004 4.153 -0.956 1.00 0.00 O ATOM 0 H SER A 30 10.242 6.388 -0.377 1.00 0.00 H new ATOM 0 HA SER A 30 12.181 7.377 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.452 5.558 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.390 5.928 0.002 1.00 0.00 H new ATOM 0 HG SER A 30 11.465 4.004 -0.151 1.00 0.00 H new ATOM 508 N HIS A 31 10.321 4.872 -3.243 1.00 0.00 N ATOM 509 CA HIS A 31 9.711 4.170 -4.360 1.00 0.00 C ATOM 510 C HIS A 31 8.695 5.047 -5.086 1.00 0.00 C ATOM 511 O HIS A 31 8.504 4.955 -6.294 1.00 0.00 O ATOM 512 CB HIS A 31 9.246 2.750 -3.966 1.00 0.00 C ATOM 513 CG HIS A 31 8.534 2.584 -2.664 1.00 0.00 C ATOM 514 ND1 HIS A 31 7.250 3.005 -2.425 1.00 0.00 N ATOM 515 CD2 HIS A 31 8.883 1.825 -1.588 1.00 0.00 C ATOM 516 CE1 HIS A 31 6.871 2.459 -1.248 1.00 0.00 C ATOM 517 NE2 HIS A 31 7.832 1.750 -0.697 1.00 0.00 N ATOM 0 H HIS A 31 9.962 4.531 -2.351 1.00 0.00 H new ATOM 0 HA HIS A 31 10.469 3.978 -5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.590 2.382 -4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.123 2.103 -3.953 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.689 3.613 -3.021 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.844 1.350 -1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.892 2.590 -0.811 1.00 0.00 H new ATOM 525 N ASN A 32 8.041 5.974 -4.328 1.00 0.00 N ATOM 526 CA ASN A 32 7.172 7.046 -4.810 1.00 0.00 C ATOM 527 C ASN A 32 7.858 8.151 -5.663 1.00 0.00 C ATOM 528 O ASN A 32 7.241 8.700 -6.566 1.00 0.00 O ATOM 529 CB ASN A 32 6.239 7.601 -3.701 1.00 0.00 C ATOM 530 CG ASN A 32 5.139 6.564 -3.447 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.280 6.424 -4.318 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.146 5.808 -2.323 1.00 0.00 N ATOM 0 H ASN A 32 8.122 5.978 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 32 6.532 6.553 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.803 7.790 -2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.803 8.551 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.426 5.099 -2.181 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.871 5.947 -1.619 1.00 0.00 H new ATOM 539 N GLU A 33 9.165 8.527 -5.497 1.00 0.00 N ATOM 540 CA GLU A 33 9.819 9.459 -6.456 1.00 0.00 C ATOM 541 C GLU A 33 10.105 8.849 -7.829 1.00 0.00 C ATOM 542 O GLU A 33 9.980 9.509 -8.850 1.00 0.00 O ATOM 543 CB GLU A 33 11.148 10.099 -5.943 1.00 0.00 C ATOM 544 CG GLU A 33 11.072 10.738 -4.546 1.00 0.00 C ATOM 545 CD GLU A 33 12.252 11.674 -4.261 1.00 0.00 C ATOM 546 OE1 GLU A 33 13.160 11.801 -5.124 1.00 0.00 O ATOM 547 OE2 GLU A 33 12.254 12.275 -3.153 1.00 0.00 O ATOM 0 H GLU A 33 9.763 8.209 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 33 9.062 10.237 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.921 9.331 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.465 10.860 -6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.140 11.296 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.046 9.952 -3.792 1.00 0.00 H new ATOM 554 N ALA A 34 10.443 7.543 -7.856 1.00 0.00 N ATOM 555 CA ALA A 34 10.601 6.653 -9.007 1.00 0.00 C ATOM 556 C ALA A 34 9.302 6.233 -9.694 1.00 0.00 C ATOM 557 O ALA A 34 9.259 5.865 -10.873 1.00 0.00 O ATOM 558 CB ALA A 34 11.576 5.521 -8.648 1.00 0.00 C ATOM 0 H ALA A 34 10.628 7.045 -6.985 1.00 0.00 H new ATOM 0 HA ALA A 34 11.059 7.224 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.694 4.857 -9.505 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.544 5.945 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.182 4.956 -7.803 1.00 0.00 H new ATOM 564 N CYS A 35 8.160 6.255 -8.939 1.00 0.00 N ATOM 565 CA CYS A 35 6.801 5.889 -9.357 1.00 0.00 C ATOM 566 C CYS A 35 6.278 6.648 -10.554 1.00 0.00 C ATOM 567 O CYS A 35 5.526 6.109 -11.361 1.00 0.00 O ATOM 568 CB CYS A 35 5.677 5.925 -8.267 1.00 0.00 C ATOM 569 SG CYS A 35 4.828 7.459 -7.708 1.00 0.00 S ATOM 0 H CYS A 35 8.185 6.550 -7.963 1.00 0.00 H new ATOM 0 HA CYS A 35 6.987 4.845 -9.611 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.892 5.255 -8.618 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.107 5.473 -7.373 1.00 0.00 H new ATOM 0 HG CYS A 35 5.657 8.188 -7.021 1.00 0.00 H new ATOM 575 N GLN A 36 6.748 7.927 -10.721 1.00 0.00 N ATOM 576 CA GLN A 36 6.558 8.861 -11.839 1.00 0.00 C ATOM 577 C GLN A 36 6.903 8.315 -13.213 1.00 0.00 C ATOM 578 O GLN A 36 6.735 9.004 -14.209 1.00 0.00 O ATOM 579 CB GLN A 36 7.358 10.198 -11.659 1.00 0.00 C ATOM 580 CG GLN A 36 8.919 10.138 -11.636 1.00 0.00 C ATOM 581 CD GLN A 36 9.754 10.308 -12.929 1.00 0.00 C ATOM 582 OE1 GLN A 36 10.968 10.506 -12.812 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.179 10.163 -14.142 1.00 0.00 N ATOM 0 H GLN A 36 7.323 8.353 -9.994 1.00 0.00 H new ATOM 0 HA GLN A 36 5.483 9.038 -11.803 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.064 10.870 -12.465 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.031 10.657 -10.726 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.255 10.905 -10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.193 9.174 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.175 10.000 -14.214 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.749 10.216 -14.986 1.00 0.00 H new ATOM 592 N GLU A 37 7.560 7.138 -13.255 1.00 0.00 N ATOM 593 CA GLU A 37 8.174 6.566 -14.441 1.00 0.00 C ATOM 594 C GLU A 37 7.687 5.159 -14.659 1.00 0.00 C ATOM 595 O GLU A 37 7.333 4.757 -15.765 1.00 0.00 O ATOM 596 CB GLU A 37 9.709 6.525 -14.185 1.00 0.00 C ATOM 597 CG GLU A 37 10.600 5.833 -15.238 1.00 0.00 C ATOM 598 CD GLU A 37 10.973 6.824 -16.335 1.00 0.00 C ATOM 599 OE1 GLU A 37 10.085 7.155 -17.166 1.00 0.00 O ATOM 600 OE2 GLU A 37 12.152 7.270 -16.354 1.00 0.00 O ATOM 0 H GLU A 37 7.674 6.550 -12.429 1.00 0.00 H new ATOM 0 HA GLU A 37 7.922 7.162 -15.318 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.057 7.552 -14.076 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.875 6.029 -13.229 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.502 5.444 -14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.074 4.981 -15.669 1.00 0.00 H new ATOM 607 N ASN A 38 7.710 4.380 -13.565 1.00 0.00 N ATOM 608 CA ASN A 38 7.346 2.988 -13.500 1.00 0.00 C ATOM 609 C ASN A 38 6.202 2.920 -12.505 1.00 0.00 C ATOM 610 O ASN A 38 6.381 3.022 -11.287 1.00 0.00 O ATOM 611 CB ASN A 38 8.529 2.157 -12.980 1.00 0.00 C ATOM 612 CG ASN A 38 9.812 2.346 -13.790 1.00 0.00 C ATOM 613 OD1 ASN A 38 9.849 2.322 -15.015 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.927 2.518 -13.029 1.00 0.00 N ATOM 0 H ASN A 38 8.003 4.743 -12.658 1.00 0.00 H new ATOM 0 HA ASN A 38 7.069 2.595 -14.478 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.722 2.425 -11.941 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.254 1.102 -12.991 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.837 2.633 -13.476 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.853 2.532 -12.012 1.00 0.00 H new ATOM 621 N LYS A 39 4.980 2.751 -13.071 1.00 0.00 N ATOM 622 CA LYS A 39 3.601 2.738 -12.571 1.00 0.00 C ATOM 623 C LYS A 39 3.389 2.117 -11.206 1.00 0.00 C ATOM 624 O LYS A 39 2.649 2.552 -10.346 1.00 0.00 O ATOM 625 CB LYS A 39 2.658 2.157 -13.672 1.00 0.00 C ATOM 626 CG LYS A 39 2.926 0.712 -14.145 1.00 0.00 C ATOM 627 CD LYS A 39 2.160 -0.335 -13.322 1.00 0.00 C ATOM 628 CE LYS A 39 0.701 -0.528 -13.761 1.00 0.00 C ATOM 629 NZ LYS A 39 0.013 -1.522 -12.905 1.00 0.00 N ATOM 0 H LYS A 39 4.953 2.592 -14.078 1.00 0.00 H new ATOM 0 HA LYS A 39 3.337 3.778 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.635 2.205 -13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.712 2.812 -14.542 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.645 0.620 -15.194 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.995 0.506 -14.082 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.680 -1.290 -13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.177 -0.041 -12.273 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.174 0.425 -13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.671 -0.856 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.962 -1.209 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.002 -2.444 -13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.520 -1.612 -12.001 1.00 0.00 H new ATOM 643 N ASP A 40 4.113 1.030 -11.008 1.00 0.00 N ATOM 644 CA ASP A 40 4.311 0.354 -9.774 1.00 0.00 C ATOM 645 C ASP A 40 5.664 -0.318 -9.839 1.00 0.00 C ATOM 646 O ASP A 40 5.739 -1.501 -10.125 1.00 0.00 O ATOM 647 CB ASP A 40 3.098 -0.525 -9.315 1.00 0.00 C ATOM 648 CG ASP A 40 2.552 -1.628 -10.239 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.284 -2.135 -11.124 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.364 -1.997 -10.028 1.00 0.00 O ATOM 0 H ASP A 40 4.608 0.576 -11.775 1.00 0.00 H new ATOM 0 HA ASP A 40 4.336 1.063 -8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.379 -1.000 -8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.272 0.152 -9.096 1.00 0.00 H new ATOM 655 N LEU A 41 6.810 0.340 -9.513 1.00 0.00 N ATOM 656 CA LEU A 41 8.108 -0.373 -9.363 1.00 0.00 C ATOM 657 C LEU A 41 8.221 -1.354 -8.129 1.00 0.00 C ATOM 658 O LEU A 41 9.051 -2.256 -8.050 1.00 0.00 O ATOM 659 CB LEU A 41 9.281 0.600 -9.504 1.00 0.00 C ATOM 660 CG LEU A 41 9.375 1.587 -8.354 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.745 1.522 -7.696 1.00 0.00 C ATOM 662 CD2 LEU A 41 9.013 2.955 -8.889 1.00 0.00 C ATOM 0 H LEU A 41 6.862 1.346 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 41 8.156 -1.074 -10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.210 0.034 -9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.179 1.150 -10.440 1.00 0.00 H new ATOM 0 HG LEU A 41 8.672 1.339 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.789 2.238 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.916 0.517 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.513 1.765 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.071 3.688 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.708 3.231 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.998 2.933 -9.287 1.00 0.00 H new ATOM 674 N GLN A 42 7.247 -1.193 -7.192 1.00 0.00 N ATOM 675 CA GLN A 42 6.730 -1.891 -6.016 1.00 0.00 C ATOM 676 C GLN A 42 5.457 -2.688 -6.354 1.00 0.00 C ATOM 677 O GLN A 42 4.544 -2.601 -5.529 1.00 0.00 O ATOM 678 CB GLN A 42 6.611 -1.062 -4.700 1.00 0.00 C ATOM 679 CG GLN A 42 7.681 -1.412 -3.638 1.00 0.00 C ATOM 680 CD GLN A 42 9.122 -1.248 -4.111 1.00 0.00 C ATOM 681 OE1 GLN A 42 9.316 -0.310 -5.061 1.00 0.00 O flip ATOM 682 NE2 GLN A 42 10.025 -1.946 -3.654 1.00 0.00 N flip ATOM 0 H GLN A 42 6.681 -0.351 -7.296 1.00 0.00 H new ATOM 0 HA GLN A 42 7.519 -2.597 -5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.687 -0.002 -4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.622 -1.221 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.526 -0.781 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.533 -2.443 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.819 -2.640 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.980 -1.831 -3.993 1.00 0.00 H new ATOM 691 N PRO A 43 5.220 -3.391 -7.534 1.00 0.00 N ATOM 692 CA PRO A 43 3.934 -3.932 -8.043 1.00 0.00 C ATOM 693 C PRO A 43 3.140 -4.760 -7.027 1.00 0.00 C ATOM 694 O PRO A 43 1.922 -4.798 -7.140 1.00 0.00 O ATOM 695 CB PRO A 43 4.339 -4.782 -9.266 1.00 0.00 C ATOM 696 CG PRO A 43 5.755 -5.250 -8.951 1.00 0.00 C ATOM 697 CD PRO A 43 6.326 -3.995 -8.295 1.00 0.00 C ATOM 0 HA PRO A 43 3.250 -3.118 -8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.663 -5.626 -9.405 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.309 -4.196 -10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.768 -6.110 -8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.306 -5.536 -9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.160 -4.244 -7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.706 -3.302 -9.045 1.00 0.00 H new ATOM 705 N TYR A 44 3.833 -5.367 -6.022 1.00 0.00 N ATOM 706 CA TYR A 44 3.305 -6.045 -4.857 1.00 0.00 C ATOM 707 C TYR A 44 4.438 -6.024 -3.818 1.00 0.00 C ATOM 708 O TYR A 44 5.613 -6.070 -4.187 1.00 0.00 O ATOM 709 CB TYR A 44 2.928 -7.542 -5.120 1.00 0.00 C ATOM 710 CG TYR A 44 1.638 -7.696 -5.924 1.00 0.00 C ATOM 711 CD1 TYR A 44 0.405 -7.561 -5.296 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.633 -7.983 -7.290 1.00 0.00 C ATOM 713 CE1 TYR A 44 -0.780 -7.798 -5.973 1.00 0.00 C ATOM 714 CE2 TYR A 44 0.445 -8.169 -7.974 1.00 0.00 C ATOM 715 CZ TYR A 44 -0.759 -8.100 -7.313 1.00 0.00 C ATOM 716 OH TYR A 44 -1.961 -8.291 -8.023 1.00 0.00 O ATOM 0 H TYR A 44 4.853 -5.382 -6.030 1.00 0.00 H new ATOM 0 HA TYR A 44 2.391 -5.542 -4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.744 -8.029 -5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.820 -8.058 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.370 -7.265 -4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.570 -8.061 -7.821 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.722 -7.745 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.463 -8.370 -9.035 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.759 -8.496 -8.960 1.00 0.00 H new ATOM 726 N MET A 45 4.069 -5.973 -2.507 1.00 0.00 N ATOM 727 CA MET A 45 4.895 -6.029 -1.296 1.00 0.00 C ATOM 728 C MET A 45 4.123 -6.887 -0.247 1.00 0.00 C ATOM 729 O MET A 45 2.891 -6.831 -0.287 1.00 0.00 O ATOM 730 CB MET A 45 5.098 -4.614 -0.626 1.00 0.00 C ATOM 731 CG MET A 45 5.668 -3.458 -1.490 1.00 0.00 C ATOM 732 SD MET A 45 4.964 -1.794 -1.115 1.00 0.00 S ATOM 733 CE MET A 45 6.190 -1.005 -0.011 1.00 0.00 C ATOM 0 H MET A 45 3.083 -5.882 -2.263 1.00 0.00 H new ATOM 0 HA MET A 45 5.867 -6.431 -1.580 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.133 -4.291 -0.236 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.760 -4.745 0.230 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.749 -3.419 -1.353 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.488 -3.685 -2.541 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.910 0.034 0.160 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.217 -1.535 0.941 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.175 -1.043 -0.475 1.00 0.00 H new ATOM 743 N PRO A 46 4.660 -7.707 0.705 1.00 0.00 N ATOM 744 CA PRO A 46 3.873 -8.304 1.813 1.00 0.00 C ATOM 745 C PRO A 46 3.671 -7.266 2.957 1.00 0.00 C ATOM 746 O PRO A 46 4.308 -6.209 2.927 1.00 0.00 O ATOM 747 CB PRO A 46 4.846 -9.404 2.297 1.00 0.00 C ATOM 748 CG PRO A 46 6.240 -8.772 2.150 1.00 0.00 C ATOM 749 CD PRO A 46 6.089 -8.033 0.805 1.00 0.00 C ATOM 0 HA PRO A 46 2.880 -8.648 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.645 -9.686 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.754 -10.309 1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.473 -8.092 2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.031 -9.521 2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.702 -7.132 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.409 -8.660 -0.027 1.00 0.00 H new ATOM 757 N ILE A 47 2.854 -7.544 4.031 1.00 0.00 N ATOM 758 CA ILE A 47 2.648 -6.653 5.207 1.00 0.00 C ATOM 759 C ILE A 47 3.950 -6.391 5.990 1.00 0.00 C ATOM 760 O ILE A 47 4.245 -5.233 6.290 1.00 0.00 O ATOM 761 CB ILE A 47 1.399 -6.919 6.054 1.00 0.00 C ATOM 762 CG1 ILE A 47 0.252 -7.435 5.143 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.997 -5.604 6.775 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.154 -7.175 5.704 1.00 0.00 C ATOM 0 H ILE A 47 2.317 -8.409 4.094 1.00 0.00 H new ATOM 0 HA ILE A 47 2.380 -5.690 4.773 1.00 0.00 H new ATOM 0 HB ILE A 47 1.602 -7.684 6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.336 -6.960 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.378 -8.507 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.109 -5.779 7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.815 -5.275 7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.784 -4.833 6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.900 -7.564 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.259 -7.673 6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.302 -6.103 5.832 1.00 0.00 H new ATOM 776 N PRO A 48 4.814 -7.393 6.309 1.00 0.00 N ATOM 777 CA PRO A 48 6.231 -7.272 6.588 1.00 0.00 C ATOM 778 C PRO A 48 7.122 -6.484 5.626 1.00 0.00 C ATOM 779 O PRO A 48 8.227 -6.240 6.052 1.00 0.00 O ATOM 780 CB PRO A 48 6.688 -8.376 7.569 1.00 0.00 C ATOM 781 CG PRO A 48 5.403 -9.230 7.676 1.00 0.00 C ATOM 782 CD PRO A 48 4.473 -8.796 6.501 1.00 0.00 C ATOM 0 HA PRO A 48 6.539 -6.400 7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.531 -8.948 7.182 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.994 -7.970 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.638 -10.292 7.610 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.912 -9.071 8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.660 -9.383 5.602 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.420 -8.924 6.752 1.00 0.00 H new ATOM 790 N HIS A 49 6.862 -6.055 4.335 1.00 0.00 N ATOM 791 CA HIS A 49 7.800 -5.038 3.736 1.00 0.00 C ATOM 792 C HIS A 49 7.844 -3.740 4.574 1.00 0.00 C ATOM 793 O HIS A 49 8.904 -3.304 5.003 1.00 0.00 O ATOM 794 CB HIS A 49 7.440 -4.513 2.296 1.00 0.00 C ATOM 795 CG HIS A 49 8.491 -3.581 1.640 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.731 -2.264 2.018 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.457 -3.854 0.715 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.824 -1.832 1.347 1.00 0.00 C ATOM 799 NE2 HIS A 49 10.289 -2.759 0.538 1.00 0.00 N ATOM 0 H HIS A 49 6.090 -6.363 3.744 1.00 0.00 H new ATOM 0 HA HIS A 49 8.732 -5.603 3.708 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.286 -5.372 1.644 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.491 -3.979 2.350 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.559 -4.794 0.193 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.259 -0.850 1.461 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.092 -2.687 -0.087 1.00 0.00 H new ATOM 807 N VAL A 50 6.635 -3.209 4.914 1.00 0.00 N ATOM 808 CA VAL A 50 6.480 -2.103 5.857 1.00 0.00 C ATOM 809 C VAL A 50 6.628 -2.541 7.332 1.00 0.00 C ATOM 810 O VAL A 50 7.307 -1.852 8.081 1.00 0.00 O ATOM 811 CB VAL A 50 5.375 -1.103 5.517 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.901 0.316 5.820 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.016 -1.169 4.011 1.00 0.00 C ATOM 0 H VAL A 50 5.751 -3.547 4.533 1.00 0.00 H new ATOM 0 HA VAL A 50 7.348 -1.460 5.713 1.00 0.00 H new ATOM 0 HB VAL A 50 4.489 -1.340 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.129 1.048 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.161 0.390 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.785 0.514 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.228 -0.449 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.898 -0.933 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.669 -2.172 3.763 1.00 0.00 H new ATOM 823 N ARG A 51 6.096 -3.738 7.769 1.00 0.00 N ATOM 824 CA ARG A 51 6.344 -4.328 9.098 1.00 0.00 C ATOM 825 C ARG A 51 7.814 -4.782 9.354 1.00 0.00 C ATOM 826 O ARG A 51 8.272 -4.602 10.459 1.00 0.00 O ATOM 827 CB ARG A 51 5.360 -5.463 9.582 1.00 0.00 C ATOM 828 CG ARG A 51 3.832 -5.257 9.550 1.00 0.00 C ATOM 829 CD ARG A 51 3.118 -6.589 9.845 1.00 0.00 C ATOM 830 NE ARG A 51 1.636 -6.363 9.952 1.00 0.00 N ATOM 831 CZ ARG A 51 0.772 -7.323 10.411 1.00 0.00 C ATOM 832 NH1 ARG A 51 1.236 -8.527 10.854 1.00 0.00 N ATOM 833 NH2 ARG A 51 -0.569 -7.068 10.426 1.00 0.00 N ATOM 0 H ARG A 51 5.481 -4.308 7.188 1.00 0.00 H new ATOM 0 HA ARG A 51 6.128 -3.455 9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.575 -6.348 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.629 -5.701 10.611 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.542 -4.508 10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.527 -4.879 8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.329 -7.308 9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.497 -7.017 10.773 1.00 0.00 H new ATOM 0 HE ARG A 51 1.258 -5.458 9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.237 -8.722 10.846 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.582 -9.232 11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.921 -6.169 10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.219 -7.777 10.766 1.00 0.00 H new ATOM 847 N ASP A 52 8.618 -5.383 8.433 1.00 0.00 N ATOM 848 CA ASP A 52 10.054 -5.711 8.568 1.00 0.00 C ATOM 849 C ASP A 52 11.030 -4.538 8.372 1.00 0.00 C ATOM 850 O ASP A 52 12.183 -4.648 8.751 1.00 0.00 O ATOM 851 CB ASP A 52 10.475 -6.946 7.694 1.00 0.00 C ATOM 852 CG ASP A 52 11.629 -7.807 8.230 1.00 0.00 C ATOM 853 OD1 ASP A 52 12.806 -7.367 8.159 1.00 0.00 O ATOM 854 OD2 ASP A 52 11.334 -8.946 8.685 1.00 0.00 O ATOM 0 H ASP A 52 8.252 -5.666 7.524 1.00 0.00 H new ATOM 0 HA ASP A 52 10.147 -5.980 9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.602 -7.587 7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.751 -6.584 6.704 1.00 0.00 H new ATOM 859 N SER A 53 10.633 -3.374 7.777 1.00 0.00 N ATOM 860 CA SER A 53 11.447 -2.183 7.426 1.00 0.00 C ATOM 861 C SER A 53 12.233 -1.464 8.498 1.00 0.00 C ATOM 862 O SER A 53 13.298 -0.919 8.240 1.00 0.00 O ATOM 863 CB SER A 53 10.515 -1.039 6.990 1.00 0.00 C ATOM 864 OG SER A 53 10.041 -1.184 5.658 1.00 0.00 O ATOM 0 H SER A 53 9.657 -3.240 7.512 1.00 0.00 H new ATOM 0 HA SER A 53 12.133 -2.634 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.664 -0.993 7.669 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.046 -0.091 7.079 1.00 0.00 H new ATOM 0 HG SER A 53 9.666 -2.082 5.540 1.00 0.00 H new ATOM 870 N LEU A 54 11.639 -1.415 9.717 1.00 0.00 N ATOM 871 CA LEU A 54 11.941 -0.636 10.904 1.00 0.00 C ATOM 872 C LEU A 54 13.279 -1.043 11.537 1.00 0.00 C ATOM 873 O LEU A 54 13.982 -0.208 12.100 1.00 0.00 O ATOM 874 CB LEU A 54 10.766 -0.746 11.979 1.00 0.00 C ATOM 875 CG LEU A 54 9.833 -2.012 12.037 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.502 -1.787 11.301 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.517 -3.362 11.856 1.00 0.00 C ATOM 0 H LEU A 54 10.829 -2.009 9.893 1.00 0.00 H new ATOM 0 HA LEU A 54 12.027 0.402 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 54 11.223 -0.642 12.963 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.120 0.120 11.835 1.00 0.00 H new ATOM 0 HG LEU A 54 9.543 -2.119 13.082 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.892 -2.688 11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.970 -0.953 11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.699 -1.560 10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.774 -4.157 11.915 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.006 -3.394 10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.261 -3.501 12.641 1.00 0.00 H new ATOM 889 N ILE A 55 13.664 -2.343 11.412 1.00 0.00 N ATOM 890 CA ILE A 55 14.943 -2.909 11.845 1.00 0.00 C ATOM 891 C ILE A 55 15.217 -4.016 10.827 1.00 0.00 C ATOM 892 O ILE A 55 14.293 -4.682 10.388 1.00 0.00 O ATOM 893 CB ILE A 55 15.083 -3.522 13.275 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.932 -3.439 14.304 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.409 -3.119 13.950 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.376 -2.090 14.635 1.00 0.00 C ATOM 0 H ILE A 55 13.056 -3.043 10.987 1.00 0.00 H new ATOM 0 HA ILE A 55 15.638 -2.071 11.898 1.00 0.00 H new ATOM 0 HB ILE A 55 15.044 -4.575 12.995 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.112 -4.056 13.937 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.281 -3.892 15.232 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.463 -3.568 14.942 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.246 -3.470 13.346 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.457 -2.034 14.040 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.578 -2.196 15.369 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.166 -1.462 15.046 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.979 -1.628 13.731 1.00 0.00 H new ATOM 908 N GLN A 56 16.501 -4.271 10.487 1.00 0.00 N ATOM 909 CA GLN A 56 16.956 -5.306 9.557 1.00 0.00 C ATOM 910 C GLN A 56 17.304 -6.722 10.097 1.00 0.00 C ATOM 911 O GLN A 56 16.946 -7.657 9.385 1.00 0.00 O ATOM 912 CB GLN A 56 18.154 -4.803 8.689 1.00 0.00 C ATOM 913 CG GLN A 56 17.874 -3.545 7.826 1.00 0.00 C ATOM 914 CD GLN A 56 17.964 -2.234 8.615 1.00 0.00 C ATOM 915 OE1 GLN A 56 19.038 -1.810 9.038 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.802 -1.571 8.842 1.00 0.00 N ATOM 0 H GLN A 56 17.275 -3.732 10.876 1.00 0.00 H new ATOM 0 HA GLN A 56 16.043 -5.465 8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.994 -4.589 9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.466 -5.612 8.029 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.586 -3.514 7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.880 -3.629 7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.924 -1.943 8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.807 -0.701 9.374 1.00 0.00 H new ATOM 925 N PRO A 57 17.992 -6.993 11.242 1.00 0.00 N ATOM 926 CA PRO A 57 18.574 -8.314 11.560 1.00 0.00 C ATOM 927 C PRO A 57 17.625 -9.260 12.321 1.00 0.00 C ATOM 928 O PRO A 57 16.608 -9.681 11.789 1.00 0.00 O ATOM 929 CB PRO A 57 19.777 -7.887 12.434 1.00 0.00 C ATOM 930 CG PRO A 57 19.210 -6.723 13.255 1.00 0.00 C ATOM 931 CD PRO A 57 18.467 -5.953 12.159 1.00 0.00 C ATOM 0 HA PRO A 57 18.818 -8.898 10.673 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.122 -8.701 13.072 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.627 -7.576 11.827 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.545 -7.060 14.050 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.992 -6.126 13.725 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.638 -5.377 12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.126 -5.247 11.653 1.00 0.00 H new ATOM 939 N HIS A 58 17.983 -9.612 13.586 1.00 0.00 N ATOM 940 CA HIS A 58 17.279 -10.443 14.556 1.00 0.00 C ATOM 941 C HIS A 58 16.106 -9.729 15.236 1.00 0.00 C ATOM 942 O HIS A 58 15.074 -10.332 15.508 1.00 0.00 O ATOM 943 CB HIS A 58 18.297 -10.965 15.615 1.00 0.00 C ATOM 944 CG HIS A 58 17.702 -11.768 16.740 1.00 0.00 C ATOM 945 ND1 HIS A 58 17.409 -13.114 16.712 1.00 0.00 N ATOM 946 CD2 HIS A 58 17.218 -11.306 17.922 1.00 0.00 C ATOM 947 CE1 HIS A 58 16.768 -13.397 17.875 1.00 0.00 C ATOM 948 NE2 HIS A 58 16.629 -12.328 18.634 1.00 0.00 N ATOM 0 H HIS A 58 18.865 -9.277 13.974 1.00 0.00 H new ATOM 0 HA HIS A 58 16.838 -11.278 14.011 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.041 -11.578 15.107 1.00 0.00 H new ATOM 0 HB3 HIS A 58 18.824 -10.111 16.040 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.285 -10.281 18.257 1.00 0.00 H new ATOM 0 HE1 HIS A 58 16.414 -14.381 18.146 1.00 0.00 H new ATOM 0 HE2 HIS A 58 16.183 -12.270 19.549 1.00 0.00 H new ATOM 956 N ASP A 59 16.237 -8.411 15.546 1.00 0.00 N ATOM 957 CA ASP A 59 15.272 -7.583 16.247 1.00 0.00 C ATOM 958 C ASP A 59 14.241 -6.946 15.343 1.00 0.00 C ATOM 959 O ASP A 59 13.434 -6.168 15.819 1.00 0.00 O ATOM 960 CB ASP A 59 15.989 -6.459 17.052 1.00 0.00 C ATOM 961 CG ASP A 59 16.902 -7.086 18.109 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.366 -7.760 19.028 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.144 -6.894 18.013 1.00 0.00 O ATOM 0 H ASP A 59 17.074 -7.887 15.290 1.00 0.00 H new ATOM 0 HA ASP A 59 14.746 -8.263 16.917 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.573 -5.832 16.379 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.252 -5.814 17.530 1.00 0.00 H new ATOM 968 N ARG A 60 14.182 -7.258 14.016 1.00 0.00 N ATOM 969 CA ARG A 60 13.236 -6.776 12.987 1.00 0.00 C ATOM 970 C ARG A 60 11.768 -6.773 13.349 1.00 0.00 C ATOM 971 O ARG A 60 11.070 -5.784 13.200 1.00 0.00 O ATOM 972 CB ARG A 60 13.479 -7.503 11.629 1.00 0.00 C ATOM 973 CG ARG A 60 12.981 -8.951 11.430 1.00 0.00 C ATOM 974 CD ARG A 60 13.403 -9.915 12.543 1.00 0.00 C ATOM 975 NE ARG A 60 13.049 -11.325 12.157 1.00 0.00 N ATOM 976 CZ ARG A 60 12.670 -12.290 13.055 1.00 0.00 C ATOM 977 NH1 ARG A 60 12.576 -12.017 14.388 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.376 -13.544 12.603 1.00 0.00 N ATOM 0 H ARG A 60 14.856 -7.909 13.613 1.00 0.00 H new ATOM 0 HA ARG A 60 13.471 -5.715 12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.024 -6.893 10.849 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.554 -7.502 11.448 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.893 -8.944 11.363 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.356 -9.326 10.478 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.476 -9.835 12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.906 -9.648 13.476 1.00 0.00 H new ATOM 0 HE ARG A 60 13.093 -11.578 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.789 -11.081 14.733 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.292 -12.749 15.040 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.439 -13.755 11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.093 -14.270 13.261 1.00 0.00 H new ATOM 992 N LYS A 61 11.256 -7.856 13.954 1.00 0.00 N ATOM 993 CA LYS A 61 9.910 -7.980 14.474 1.00 0.00 C ATOM 994 C LYS A 61 9.592 -7.147 15.712 1.00 0.00 C ATOM 995 O LYS A 61 8.439 -6.786 15.956 1.00 0.00 O ATOM 996 CB LYS A 61 9.423 -9.432 14.363 1.00 0.00 C ATOM 997 CG LYS A 61 8.253 -9.930 15.244 1.00 0.00 C ATOM 998 CD LYS A 61 8.525 -10.051 16.755 1.00 0.00 C ATOM 999 CE LYS A 61 7.526 -10.953 17.492 1.00 0.00 C ATOM 1000 NZ LYS A 61 6.144 -10.428 17.377 1.00 0.00 N ATOM 0 H LYS A 61 11.806 -8.703 14.094 1.00 0.00 H new ATOM 0 HA LYS A 61 9.219 -7.443 13.824 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.139 -9.599 13.324 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.278 -10.076 14.567 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.410 -9.253 15.104 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.942 -10.907 14.875 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.532 -10.442 16.904 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.500 -9.056 17.200 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.570 -11.961 17.081 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.804 -11.025 18.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.787 -10.180 18.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.143 -9.581 16.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.531 -11.154 16.955 1.00 0.00 H new ATOM 1014 N LYS A 62 10.637 -6.816 16.516 1.00 0.00 N ATOM 1015 CA LYS A 62 10.601 -6.060 17.761 1.00 0.00 C ATOM 1016 C LYS A 62 10.069 -4.629 17.695 1.00 0.00 C ATOM 1017 O LYS A 62 9.463 -4.160 18.656 1.00 0.00 O ATOM 1018 CB LYS A 62 11.981 -6.162 18.490 1.00 0.00 C ATOM 1019 CG LYS A 62 11.950 -5.753 19.973 1.00 0.00 C ATOM 1020 CD LYS A 62 13.322 -5.818 20.667 1.00 0.00 C ATOM 1021 CE LYS A 62 14.247 -4.659 20.272 1.00 0.00 C ATOM 1022 NZ LYS A 62 15.567 -4.787 20.930 1.00 0.00 N ATOM 0 H LYS A 62 11.588 -7.099 16.279 1.00 0.00 H new ATOM 0 HA LYS A 62 9.829 -6.547 18.357 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.342 -7.188 18.416 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.701 -5.533 17.967 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.562 -4.737 20.052 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.254 -6.402 20.504 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.178 -5.809 21.747 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.805 -6.763 20.418 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.376 -4.644 19.190 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.788 -3.711 20.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.174 -3.992 20.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.443 -4.778 21.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.013 -5.682 20.643 1.00 0.00 H new ATOM 1036 N MET A 63 10.174 -3.926 16.527 1.00 0.00 N ATOM 1037 CA MET A 63 9.400 -2.716 16.328 1.00 0.00 C ATOM 1038 C MET A 63 8.345 -2.998 15.276 1.00 0.00 C ATOM 1039 O MET A 63 7.522 -2.125 15.039 1.00 0.00 O ATOM 1040 CB MET A 63 10.168 -1.390 16.121 1.00 0.00 C ATOM 1041 CG MET A 63 10.844 -0.891 17.415 1.00 0.00 C ATOM 1042 SD MET A 63 11.305 0.875 17.367 1.00 0.00 S ATOM 1043 CE MET A 63 12.430 0.784 15.947 1.00 0.00 C ATOM 0 H MET A 63 10.775 -4.187 15.746 1.00 0.00 H new ATOM 0 HA MET A 63 8.935 -2.490 17.287 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.925 -1.529 15.350 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.479 -0.628 15.757 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.170 -1.059 18.255 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.738 -1.486 17.600 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.765 1.787 15.684 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.292 0.169 16.205 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.909 0.341 15.098 1.00 0.00 H new ATOM 1053 N LYS A 64 8.248 -4.238 14.652 1.00 0.00 N ATOM 1054 CA LYS A 64 7.185 -4.633 13.725 1.00 0.00 C ATOM 1055 C LYS A 64 5.828 -4.724 14.432 1.00 0.00 C ATOM 1056 O LYS A 64 4.804 -4.168 14.044 1.00 0.00 O ATOM 1057 CB LYS A 64 7.330 -5.965 12.858 1.00 0.00 C ATOM 1058 CG LYS A 64 6.487 -7.243 13.086 1.00 0.00 C ATOM 1059 CD LYS A 64 6.646 -8.235 11.920 1.00 0.00 C ATOM 1060 CE LYS A 64 5.559 -9.319 11.874 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.559 -10.147 13.101 1.00 0.00 N ATOM 0 H LYS A 64 8.934 -4.978 14.804 1.00 0.00 H new ATOM 0 HA LYS A 64 7.275 -3.818 13.006 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.165 -5.673 11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.373 -6.270 12.941 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.792 -7.721 14.017 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.437 -6.973 13.196 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.634 -7.682 10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.622 -8.715 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.583 -8.850 11.751 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.718 -9.957 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.823 -10.878 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.488 -10.601 13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.366 -9.545 13.926 1.00 0.00 H new ATOM 1075 N LYS A 65 5.914 -5.429 15.561 1.00 0.00 N ATOM 1076 CA LYS A 65 4.893 -5.632 16.605 1.00 0.00 C ATOM 1077 C LYS A 65 4.372 -4.316 17.226 1.00 0.00 C ATOM 1078 O LYS A 65 3.198 -4.184 17.548 1.00 0.00 O ATOM 1079 CB LYS A 65 5.309 -6.662 17.692 1.00 0.00 C ATOM 1080 CG LYS A 65 6.338 -6.189 18.735 1.00 0.00 C ATOM 1081 CD LYS A 65 6.861 -7.345 19.602 1.00 0.00 C ATOM 1082 CE LYS A 65 7.832 -6.885 20.696 1.00 0.00 C ATOM 1083 NZ LYS A 65 8.395 -8.044 21.427 1.00 0.00 N ATOM 0 H LYS A 65 6.777 -5.920 15.795 1.00 0.00 H new ATOM 0 HA LYS A 65 4.050 -6.074 16.073 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.411 -6.980 18.221 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.712 -7.542 17.191 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.175 -5.712 18.226 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.882 -5.434 19.376 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.016 -7.855 20.065 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.361 -8.073 18.963 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.640 -6.305 20.250 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.314 -6.227 21.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.049 -7.707 22.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.624 -8.583 21.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.908 -8.658 20.762 1.00 0.00 H new ATOM 1097 N VAL A 66 5.261 -3.273 17.284 1.00 0.00 N ATOM 1098 CA VAL A 66 4.977 -1.855 17.601 1.00 0.00 C ATOM 1099 C VAL A 66 4.339 -1.141 16.407 1.00 0.00 C ATOM 1100 O VAL A 66 3.413 -0.348 16.560 1.00 0.00 O ATOM 1101 CB VAL A 66 6.181 -1.018 18.058 1.00 0.00 C ATOM 1102 CG1 VAL A 66 5.716 0.403 18.495 1.00 0.00 C ATOM 1103 CG2 VAL A 66 6.899 -1.739 19.222 1.00 0.00 C ATOM 0 H VAL A 66 6.253 -3.422 17.097 1.00 0.00 H new ATOM 0 HA VAL A 66 4.296 -1.920 18.450 1.00 0.00 H new ATOM 0 HB VAL A 66 6.878 -0.906 17.228 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.579 0.985 18.817 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.234 0.902 17.655 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.009 0.317 19.320 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.753 -1.145 19.546 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.207 -1.864 20.055 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.244 -2.717 18.887 1.00 0.00 H new ATOM 1113 N TRP A 67 4.812 -1.422 15.160 1.00 0.00 N ATOM 1114 CA TRP A 67 4.320 -0.903 13.881 1.00 0.00 C ATOM 1115 C TRP A 67 2.853 -1.258 13.613 1.00 0.00 C ATOM 1116 O TRP A 67 2.113 -0.421 13.116 1.00 0.00 O ATOM 1117 CB TRP A 67 5.294 -1.199 12.701 1.00 0.00 C ATOM 1118 CG TRP A 67 4.820 -0.827 11.302 1.00 0.00 C ATOM 1119 CD1 TRP A 67 4.329 -1.703 10.388 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.505 0.483 10.806 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.764 -1.040 9.335 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.896 0.306 9.560 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.656 1.721 11.361 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.427 1.363 8.843 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 4.068 2.771 10.689 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.453 2.591 9.465 1.00 0.00 C ATOM 0 H TRP A 67 5.598 -2.059 15.029 1.00 0.00 H new ATOM 0 HA TRP A 67 4.315 0.184 13.964 1.00 0.00 H new ATOM 0 HB2 TRP A 67 6.229 -0.672 12.893 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.522 -2.265 12.709 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.378 -2.778 10.481 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.321 -1.471 8.523 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.207 1.870 12.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 3.053 1.245 7.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.088 3.757 11.129 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.981 3.435 8.984 1.00 0.00 H new ATOM 1137 N ASP A 68 2.369 -2.451 14.077 1.00 0.00 N ATOM 1138 CA ASP A 68 0.951 -2.885 14.093 1.00 0.00 C ATOM 1139 C ASP A 68 0.005 -1.909 14.832 1.00 0.00 C ATOM 1140 O ASP A 68 -1.088 -1.600 14.370 1.00 0.00 O ATOM 1141 CB ASP A 68 0.778 -4.298 14.730 1.00 0.00 C ATOM 1142 CG ASP A 68 1.598 -5.378 14.008 1.00 0.00 C ATOM 1143 OD1 ASP A 68 2.098 -5.125 12.881 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.722 -6.490 14.589 1.00 0.00 O ATOM 0 H ASP A 68 2.990 -3.161 14.465 1.00 0.00 H new ATOM 0 HA ASP A 68 0.670 -2.906 13.040 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.078 -4.259 15.777 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.276 -4.574 14.710 1.00 0.00 H new ATOM 1149 N ARG A 69 0.498 -1.349 15.974 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.036 -0.262 16.785 1.00 0.00 C ATOM 1151 C ARG A 69 0.210 1.119 16.150 1.00 0.00 C ATOM 1152 O ARG A 69 -0.728 1.884 15.941 1.00 0.00 O ATOM 1153 CB ARG A 69 0.601 -0.370 18.202 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.126 0.315 19.385 1.00 0.00 C ATOM 1155 CD ARG A 69 -0.113 1.860 19.441 1.00 0.00 C ATOM 1156 NE ARG A 69 1.281 2.394 19.215 1.00 0.00 N ATOM 1157 CZ ARG A 69 2.221 2.570 20.197 1.00 0.00 C ATOM 1158 NH1 ARG A 69 1.946 2.272 21.500 1.00 0.00 N ATOM 1159 NH2 ARG A 69 3.453 3.052 19.860 1.00 0.00 N ATOM 0 H ARG A 69 1.369 -1.698 16.373 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.120 -0.357 16.853 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.703 -1.428 18.442 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.608 0.042 18.147 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.166 -0.011 19.373 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.314 -0.058 20.310 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.788 2.261 18.685 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.483 2.196 20.409 1.00 0.00 H new ATOM 0 HE ARG A 69 1.543 2.642 18.261 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.027 1.911 21.758 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.659 2.410 22.216 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.664 3.276 18.888 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.162 3.188 20.581 1.00 0.00 H new ATOM 1173 N ALA A 70 1.488 1.475 15.795 1.00 0.00 N ATOM 1174 CA ALA A 70 1.948 2.736 15.180 1.00 0.00 C ATOM 1175 C ALA A 70 1.226 3.178 13.891 1.00 0.00 C ATOM 1176 O ALA A 70 1.024 4.368 13.645 1.00 0.00 O ATOM 1177 CB ALA A 70 3.459 2.747 14.950 1.00 0.00 C ATOM 0 H ALA A 70 2.266 0.833 15.948 1.00 0.00 H new ATOM 0 HA ALA A 70 1.672 3.475 15.932 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.751 3.694 14.496 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.973 2.628 15.904 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.732 1.927 14.286 1.00 0.00 H new ATOM 1183 N VAL A 71 0.784 2.147 13.100 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.092 2.110 11.923 1.00 0.00 C ATOM 1185 C VAL A 71 -1.448 2.723 12.177 1.00 0.00 C ATOM 1186 O VAL A 71 -1.987 3.356 11.276 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.234 0.685 11.378 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.417 0.406 10.439 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.982 0.454 10.502 1.00 0.00 C ATOM 0 H VAL A 71 1.089 1.200 13.323 1.00 0.00 H new ATOM 0 HA VAL A 71 0.394 2.725 11.165 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.365 0.056 12.258 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.397 -0.639 10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.352 0.612 10.960 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.343 1.047 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.941 -0.550 10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.993 1.186 9.695 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.887 0.560 11.100 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.004 2.617 13.436 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.237 3.257 13.928 1.00 0.00 C ATOM 1201 C ASP A 72 -3.167 4.788 13.818 1.00 0.00 C ATOM 1202 O ASP A 72 -4.156 5.432 13.501 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.620 2.767 15.363 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.048 3.143 15.785 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.004 2.709 15.090 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.193 3.867 16.807 1.00 0.00 O ATOM 0 H ASP A 72 -1.563 2.047 14.157 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.050 2.940 13.275 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.511 1.683 15.408 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.916 3.188 16.081 1.00 0.00 H new ATOM 1211 N PHE A 73 -1.943 5.380 13.960 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.609 6.756 13.603 1.00 0.00 C ATOM 1213 C PHE A 73 -1.429 7.006 12.081 1.00 0.00 C ATOM 1214 O PHE A 73 -2.173 7.835 11.557 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.329 7.259 14.338 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.458 7.179 15.841 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -0.971 8.251 16.544 1.00 0.00 C ATOM 1218 CD2 PHE A 73 -0.026 6.075 16.558 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -1.062 8.229 17.920 1.00 0.00 C ATOM 1220 CE2 PHE A 73 -0.119 6.042 17.937 1.00 0.00 C ATOM 1221 CZ PHE A 73 -0.635 7.121 18.624 1.00 0.00 C ATOM 0 H PHE A 73 -1.144 4.874 14.343 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.482 7.322 13.929 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.527 6.666 14.018 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.129 8.290 14.048 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.308 9.124 16.005 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.389 5.228 16.032 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.468 9.080 18.447 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.213 5.168 18.478 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.704 7.099 19.702 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.490 6.317 11.303 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.230 6.537 9.812 1.00 0.00 C ATOM 1233 C LEU A 74 -1.442 6.520 8.895 1.00 0.00 C ATOM 1234 O LEU A 74 -1.667 7.378 8.038 1.00 0.00 O ATOM 1235 CB LEU A 74 0.737 5.483 9.120 1.00 0.00 C ATOM 1236 CG LEU A 74 1.765 6.181 8.190 1.00 0.00 C ATOM 1237 CD1 LEU A 74 3.083 6.452 8.923 1.00 0.00 C ATOM 1238 CD2 LEU A 74 1.982 5.449 6.845 1.00 0.00 C ATOM 0 H LEU A 74 0.108 5.592 11.699 1.00 0.00 H new ATOM 0 HA LEU A 74 0.207 7.533 9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.265 4.914 9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.147 4.771 8.543 1.00 0.00 H new ATOM 0 HG LEU A 74 1.329 7.143 7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.782 6.941 8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.896 7.098 9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.509 5.509 9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.713 5.994 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.349 4.440 7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.038 5.396 6.303 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.233 5.443 9.084 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.437 5.038 8.419 1.00 0.00 C ATOM 1252 C ALA A 75 -4.640 5.984 8.571 1.00 0.00 C ATOM 1253 O ALA A 75 -5.604 5.859 7.825 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.644 3.560 8.783 1.00 0.00 C ATOM 0 H ALA A 75 -1.988 4.766 9.806 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.333 5.125 7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.551 3.191 8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.789 2.977 8.439 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.739 3.461 9.864 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.587 7.001 9.494 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.544 8.087 9.622 1.00 0.00 C ATOM 1262 C ALA A 76 -5.285 9.223 8.606 1.00 0.00 C ATOM 1263 O ALA A 76 -6.077 10.151 8.472 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.488 8.632 11.065 1.00 0.00 C ATOM 0 H ALA A 76 -3.836 7.062 10.182 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.537 7.695 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.202 9.448 11.174 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.739 7.835 11.765 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.484 8.998 11.277 1.00 0.00 H new ATOM 1270 N ASN A 77 -4.162 9.147 7.843 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.774 10.065 6.785 1.00 0.00 C ATOM 1272 C ASN A 77 -3.643 9.259 5.486 1.00 0.00 C ATOM 1273 O ASN A 77 -4.558 8.566 5.054 1.00 0.00 O ATOM 1274 CB ASN A 77 -2.461 10.784 7.216 1.00 0.00 C ATOM 1275 CG ASN A 77 -2.007 11.916 6.283 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -2.812 12.713 5.801 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -0.679 11.970 6.004 1.00 0.00 N ATOM 0 H ASN A 77 -3.481 8.399 7.971 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.515 10.844 6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.599 11.192 8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.663 10.044 7.280 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.319 12.688 5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.042 11.292 6.422 1.00 0.00 H new ATOM 1284 N GLU A 78 -2.473 9.322 4.811 1.00 0.00 N ATOM 1285 CA GLU A 78 -2.190 8.642 3.566 1.00 0.00 C ATOM 1286 C GLU A 78 -0.947 7.807 3.771 1.00 0.00 C ATOM 1287 O GLU A 78 0.084 8.308 4.218 1.00 0.00 O ATOM 1288 CB GLU A 78 -1.987 9.685 2.433 1.00 0.00 C ATOM 1289 CG GLU A 78 -1.785 9.120 1.010 1.00 0.00 C ATOM 1290 CD GLU A 78 -3.018 8.333 0.567 1.00 0.00 C ATOM 1291 OE1 GLU A 78 -4.103 8.962 0.435 1.00 0.00 O ATOM 1292 OE2 GLU A 78 -2.895 7.098 0.350 1.00 0.00 O ATOM 0 H GLU A 78 -1.683 9.873 5.147 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.019 7.997 3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.853 10.347 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.121 10.298 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.597 9.936 0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.907 8.474 0.990 1.00 0.00 H new ATOM 1299 N SER A 79 -1.029 6.497 3.428 1.00 0.00 N ATOM 1300 CA SER A 79 0.044 5.517 3.512 1.00 0.00 C ATOM 1301 C SER A 79 0.604 5.212 2.137 1.00 0.00 C ATOM 1302 O SER A 79 1.500 4.383 1.990 1.00 0.00 O ATOM 1303 CB SER A 79 -0.481 4.182 4.134 1.00 0.00 C ATOM 1304 OG SER A 79 -1.682 3.709 3.511 1.00 0.00 O ATOM 0 H SER A 79 -1.894 6.092 3.070 1.00 0.00 H new ATOM 0 HA SER A 79 0.826 5.941 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.292 3.418 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.664 4.331 5.198 1.00 0.00 H new ATOM 0 HG SER A 79 -1.452 3.107 2.773 1.00 0.00 H new ATOM 1310 N ARG A 80 0.014 5.826 1.077 1.00 0.00 N ATOM 1311 CA ARG A 80 0.228 5.665 -0.364 1.00 0.00 C ATOM 1312 C ARG A 80 -0.059 4.282 -0.948 1.00 0.00 C ATOM 1313 O ARG A 80 -0.730 4.175 -1.971 1.00 0.00 O ATOM 1314 CB ARG A 80 1.541 6.319 -0.870 1.00 0.00 C ATOM 1315 CG ARG A 80 1.541 6.770 -2.354 1.00 0.00 C ATOM 1316 CD ARG A 80 0.620 7.960 -2.697 1.00 0.00 C ATOM 1317 NE ARG A 80 -0.774 7.464 -2.985 1.00 0.00 N ATOM 1318 CZ ARG A 80 -1.861 8.290 -3.089 1.00 0.00 C ATOM 1319 NH1 ARG A 80 -1.735 9.640 -2.944 1.00 0.00 N ATOM 1320 NH2 ARG A 80 -3.091 7.748 -3.336 1.00 0.00 N ATOM 0 H ARG A 80 -0.707 6.527 1.247 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.580 6.254 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.757 7.186 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.357 5.611 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.561 7.033 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.250 5.920 -2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.600 8.666 -1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.011 8.496 -3.562 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.915 6.461 -3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.820 10.049 -2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.556 10.240 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.192 6.738 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.908 8.353 -3.416 1.00 0.00 H new ATOM 1334 N VAL A 81 0.426 3.188 -0.291 1.00 0.00 N ATOM 1335 CA VAL A 81 0.173 1.791 -0.622 1.00 0.00 C ATOM 1336 C VAL A 81 -1.089 1.269 0.100 1.00 0.00 C ATOM 1337 O VAL A 81 -1.468 1.751 1.177 1.00 0.00 O ATOM 1338 CB VAL A 81 1.429 0.910 -0.560 1.00 0.00 C ATOM 1339 CG1 VAL A 81 2.458 1.515 -1.523 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.153 0.807 0.784 1.00 0.00 C ATOM 0 H VAL A 81 1.033 3.284 0.523 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.079 1.724 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 81 1.067 -0.091 -0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.368 0.915 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.048 1.526 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.690 2.534 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.020 0.154 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.481 1.798 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.475 0.395 1.532 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.815 0.327 -0.568 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.160 -0.149 -0.242 1.00 0.00 C ATOM 1352 C ARG A 82 -3.202 -1.654 -0.014 1.00 0.00 C ATOM 1353 O ARG A 82 -2.463 -2.378 -0.683 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.042 0.207 -1.481 1.00 0.00 C ATOM 1355 CG ARG A 82 -5.515 -0.238 -1.460 1.00 0.00 C ATOM 1356 CD ARG A 82 -6.280 0.179 -2.725 1.00 0.00 C ATOM 1357 NE ARG A 82 -7.706 -0.282 -2.588 1.00 0.00 N ATOM 1358 CZ ARG A 82 -8.561 -0.413 -3.651 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -8.153 -0.121 -4.919 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -9.839 -0.844 -3.435 1.00 0.00 N ATOM 0 H ARG A 82 -1.440 -0.138 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.508 0.315 0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.020 1.289 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.572 -0.228 -2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.561 -1.322 -1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.007 0.189 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.241 1.261 -2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.821 -0.263 -3.609 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.054 -0.509 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.199 0.200 -5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.801 -0.224 -5.700 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.150 -1.065 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.483 -0.945 -4.220 1.00 0.00 H new ATOM 1374 N THR A 83 -4.077 -2.160 0.921 1.00 0.00 N ATOM 1375 CA THR A 83 -4.303 -3.573 1.246 1.00 0.00 C ATOM 1376 C THR A 83 -5.390 -4.154 0.365 1.00 0.00 C ATOM 1377 O THR A 83 -6.545 -3.739 0.405 1.00 0.00 O ATOM 1378 CB THR A 83 -4.638 -3.913 2.711 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.864 -2.750 3.487 1.00 0.00 O ATOM 1380 CG2 THR A 83 -3.459 -4.675 3.339 1.00 0.00 C ATOM 0 H THR A 83 -4.662 -1.543 1.484 1.00 0.00 H new ATOM 0 HA THR A 83 -3.327 -4.021 1.061 1.00 0.00 H new ATOM 0 HB THR A 83 -5.547 -4.515 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.075 -3.008 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.693 -4.917 4.376 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.283 -5.595 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.564 -4.053 3.305 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.045 -5.175 -0.442 1.00 0.00 N ATOM 1389 CA GLU A 84 -5.977 -5.832 -1.336 1.00 0.00 C ATOM 1390 C GLU A 84 -5.865 -7.315 -1.046 1.00 0.00 C ATOM 1391 O GLU A 84 -4.800 -7.795 -0.656 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.670 -5.439 -2.811 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.552 -6.128 -3.873 1.00 0.00 C ATOM 1394 CD GLU A 84 -6.167 -5.613 -5.259 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -5.020 -5.896 -5.696 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -7.015 -4.936 -5.902 1.00 0.00 O ATOM 0 H GLU A 84 -4.101 -5.559 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.011 -5.524 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.783 -4.360 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.626 -5.672 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.422 -7.209 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.605 -5.925 -3.676 1.00 0.00 H new ATOM 1403 N THR A 85 -6.985 -8.074 -1.202 1.00 0.00 N ATOM 1404 CA THR A 85 -7.069 -9.516 -0.989 1.00 0.00 C ATOM 1405 C THR A 85 -6.979 -10.194 -2.355 1.00 0.00 C ATOM 1406 O THR A 85 -7.873 -10.054 -3.188 1.00 0.00 O ATOM 1407 CB THR A 85 -8.340 -9.886 -0.230 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.448 -9.073 0.931 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.294 -11.344 0.249 1.00 0.00 C ATOM 0 H THR A 85 -7.876 -7.669 -1.490 1.00 0.00 H new ATOM 0 HA THR A 85 -6.245 -9.862 -0.365 1.00 0.00 H new ATOM 0 HB THR A 85 -9.183 -9.741 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.265 -9.307 1.420 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.213 -11.580 0.787 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.197 -12.007 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.440 -11.482 0.912 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.868 -10.922 -2.642 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.613 -11.547 -3.938 1.00 0.00 C ATOM 1419 C ARG A 86 -5.062 -12.916 -3.676 1.00 0.00 C ATOM 1420 O ARG A 86 -4.507 -13.172 -2.610 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.619 -10.759 -4.844 1.00 0.00 C ATOM 1422 CG ARG A 86 -5.330 -9.658 -5.648 1.00 0.00 C ATOM 1423 CD ARG A 86 -6.105 -10.165 -6.877 1.00 0.00 C ATOM 1424 NE ARG A 86 -6.911 -9.029 -7.456 1.00 0.00 N ATOM 1425 CZ ARG A 86 -6.411 -8.086 -8.315 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -5.120 -8.136 -8.751 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -7.222 -7.071 -8.738 1.00 0.00 N ATOM 0 H ARG A 86 -5.125 -11.085 -1.963 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.556 -11.570 -4.484 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.840 -10.312 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.126 -11.449 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.022 -9.134 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.589 -8.930 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.413 -10.554 -7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.763 -10.987 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.893 -8.958 -7.190 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.505 -8.887 -8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.770 -7.423 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.188 -7.021 -8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.861 -6.363 -9.377 1.00 0.00 H new ATOM 1441 N ARG A 87 -5.233 -13.822 -4.673 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.878 -15.243 -4.616 1.00 0.00 C ATOM 1443 C ARG A 87 -3.471 -15.575 -5.132 1.00 0.00 C ATOM 1444 O ARG A 87 -3.150 -15.321 -6.290 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.927 -16.109 -5.364 1.00 0.00 C ATOM 1446 CG ARG A 87 -5.893 -17.606 -4.981 1.00 0.00 C ATOM 1447 CD ARG A 87 -6.881 -18.469 -5.781 1.00 0.00 C ATOM 1448 NE ARG A 87 -8.284 -18.048 -5.440 1.00 0.00 N ATOM 1449 CZ ARG A 87 -9.394 -18.649 -5.969 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -9.277 -19.669 -6.868 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -10.635 -18.222 -5.591 1.00 0.00 N ATOM 0 H ARG A 87 -5.640 -13.560 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.876 -15.485 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.922 -15.714 -5.159 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.762 -16.015 -6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.884 -17.988 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.115 -17.706 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.702 -18.353 -6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.736 -19.523 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.414 -17.278 -4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.353 -19.993 -7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.113 -20.107 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.730 -17.460 -4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.467 -18.665 -5.981 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.592 -16.168 -4.283 1.00 0.00 N ATOM 1466 CA ILE A 88 -1.212 -16.523 -4.614 1.00 0.00 C ATOM 1467 C ILE A 88 -0.972 -17.933 -4.114 1.00 0.00 C ATOM 1468 O ILE A 88 -1.180 -18.224 -2.939 1.00 0.00 O ATOM 1469 CB ILE A 88 -0.157 -15.540 -4.067 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.466 -14.979 -2.647 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.007 -14.426 -5.120 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -1.237 -13.645 -2.612 1.00 0.00 C ATOM 0 H ILE A 88 -2.844 -16.414 -3.326 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.092 -16.463 -5.696 1.00 0.00 H new ATOM 0 HB ILE A 88 0.779 -16.077 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.041 -15.725 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.476 -14.848 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.747 -13.704 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.338 -14.862 -6.062 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.948 -13.923 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.399 -13.345 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.659 -12.877 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.199 -13.768 -3.109 1.00 0.00 H new ATOM 1484 N GLY A 89 -0.589 -18.884 -5.030 1.00 0.00 N ATOM 1485 CA GLY A 89 -0.361 -20.338 -4.727 1.00 0.00 C ATOM 1486 C GLY A 89 -1.605 -21.094 -4.303 1.00 0.00 C ATOM 1487 O GLY A 89 -1.537 -22.103 -3.611 1.00 0.00 O ATOM 0 H GLY A 89 -0.429 -18.657 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.058 -20.819 -5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.385 -20.419 -3.937 1.00 0.00 H new ATOM 1491 N GLY A 90 -2.785 -20.550 -4.688 1.00 0.00 N ATOM 1492 CA GLY A 90 -4.118 -21.016 -4.267 1.00 0.00 C ATOM 1493 C GLY A 90 -4.629 -20.411 -2.965 1.00 0.00 C ATOM 1494 O GLY A 90 -5.640 -20.875 -2.449 1.00 0.00 O ATOM 0 H GLY A 90 -2.831 -19.750 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.832 -20.792 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.091 -22.100 -4.160 1.00 0.00 H new ATOM 1498 N ALA A 91 -3.970 -19.375 -2.368 1.00 0.00 N ATOM 1499 CA ALA A 91 -4.369 -18.821 -1.087 1.00 0.00 C ATOM 1500 C ALA A 91 -4.488 -17.302 -1.192 1.00 0.00 C ATOM 1501 O ALA A 91 -3.665 -16.640 -1.820 1.00 0.00 O ATOM 1502 CB ALA A 91 -3.340 -19.238 -0.018 1.00 0.00 C ATOM 0 H ALA A 91 -3.155 -18.919 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.346 -19.208 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.632 -18.826 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.303 -20.325 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.356 -18.858 -0.292 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.550 -16.711 -0.592 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.899 -15.299 -0.614 1.00 0.00 C ATOM 1510 C ASP A 92 -5.417 -14.538 0.634 1.00 0.00 C ATOM 1511 O ASP A 92 -5.869 -14.795 1.748 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.415 -15.105 -0.939 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.389 -15.657 0.116 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -8.431 -16.902 0.302 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -9.108 -14.831 0.739 1.00 0.00 O ATOM 0 H ASP A 92 -6.219 -17.257 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.348 -14.834 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.609 -14.040 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.629 -15.585 -1.894 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.458 -13.587 0.480 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.857 -12.833 1.579 1.00 0.00 C ATOM 1522 C PHE A 93 -4.014 -11.349 1.315 1.00 0.00 C ATOM 1523 O PHE A 93 -4.325 -10.936 0.196 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.323 -13.117 1.722 1.00 0.00 C ATOM 1525 CG PHE A 93 -2.039 -14.595 1.853 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -2.592 -15.359 2.868 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.211 -15.222 0.938 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -2.348 -16.720 2.935 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.974 -16.577 0.990 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.542 -17.330 1.995 1.00 0.00 C ATOM 0 H PHE A 93 -4.084 -13.329 -0.433 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.365 -13.142 2.492 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.797 -12.721 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.936 -12.593 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.218 -14.889 3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.739 -14.634 0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.790 -17.307 3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.347 -17.047 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.357 -18.393 2.047 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.726 -10.509 2.352 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.695 -9.058 2.284 1.00 0.00 C ATOM 1542 C LEU A 94 -2.253 -8.646 1.965 1.00 0.00 C ATOM 1543 O LEU A 94 -1.336 -8.817 2.767 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.239 -8.396 3.583 1.00 0.00 C ATOM 1545 CG LEU A 94 -5.788 -8.344 3.595 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.357 -8.696 4.986 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.371 -6.979 3.177 1.00 0.00 C ATOM 0 H LEU A 94 -3.504 -10.860 3.283 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.360 -8.702 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.887 -8.954 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.840 -7.385 3.671 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.089 -9.086 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.446 -8.649 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.044 -9.703 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.983 -7.985 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.460 -7.023 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.017 -6.208 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.049 -6.741 2.163 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.042 -8.107 0.745 1.00 0.00 N ATOM 1560 CA VAL A 95 -0.774 -7.615 0.202 1.00 0.00 C ATOM 1561 C VAL A 95 -0.836 -6.114 0.383 1.00 0.00 C ATOM 1562 O VAL A 95 -1.914 -5.535 0.242 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.634 -7.838 -1.332 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -0.208 -9.278 -1.642 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -1.931 -7.548 -2.153 1.00 0.00 C ATOM 0 H VAL A 95 -2.806 -8.001 0.077 1.00 0.00 H new ATOM 0 HA VAL A 95 0.047 -8.131 0.700 1.00 0.00 H new ATOM 0 HB VAL A 95 0.125 -7.117 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.118 -9.407 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.753 -9.483 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.956 -9.970 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.740 -7.730 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.732 -8.203 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.227 -6.508 -2.011 1.00 0.00 H new ATOM 1575 N TRP A 96 0.317 -5.422 0.602 1.00 0.00 N ATOM 1576 CA TRP A 96 0.281 -3.943 0.543 1.00 0.00 C ATOM 1577 C TRP A 96 0.895 -3.693 -0.848 1.00 0.00 C ATOM 1578 O TRP A 96 1.960 -4.230 -1.146 1.00 0.00 O ATOM 1579 CB TRP A 96 1.205 -3.436 1.700 1.00 0.00 C ATOM 1580 CG TRP A 96 0.632 -2.360 2.602 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.356 -1.465 2.334 1.00 0.00 C ATOM 1582 CD2 TRP A 96 1.042 -2.113 3.957 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.541 -0.616 3.394 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.306 -1.019 4.412 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.946 -2.751 4.758 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.488 -0.530 5.675 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.075 -2.305 6.057 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.382 -1.192 6.501 1.00 0.00 C ATOM 0 H TRP A 96 1.226 -5.836 0.808 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.686 -3.454 0.661 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.477 -4.291 2.319 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.127 -3.056 1.259 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.918 -1.428 1.412 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.188 0.172 3.427 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.538 -3.575 4.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.047 0.343 6.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.727 -2.832 6.738 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.541 -0.834 7.507 1.00 0.00 H new ATOM 1599 N ARG A 97 0.288 -2.913 -1.771 1.00 0.00 N ATOM 1600 CA ARG A 97 0.833 -2.771 -3.115 1.00 0.00 C ATOM 1601 C ARG A 97 0.670 -1.321 -3.495 1.00 0.00 C ATOM 1602 O ARG A 97 -0.171 -0.609 -2.937 1.00 0.00 O ATOM 1603 CB ARG A 97 0.165 -3.746 -4.141 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.251 -3.336 -4.601 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.944 -4.337 -5.535 1.00 0.00 C ATOM 1606 NE ARG A 97 -1.168 -4.383 -6.825 1.00 0.00 N ATOM 1607 CZ ARG A 97 -1.717 -4.668 -8.047 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -3.041 -4.969 -8.175 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -0.916 -4.662 -9.153 1.00 0.00 N ATOM 0 H ARG A 97 -0.567 -2.384 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 97 1.886 -3.051 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.808 -3.823 -5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.113 -4.739 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.876 -3.192 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.188 -2.373 -5.108 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.979 -5.325 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.975 -4.035 -5.721 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.167 -4.189 -6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.642 -4.985 -7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.430 -5.178 -9.094 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.077 -4.447 -9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.311 -4.872 -10.070 1.00 0.00 H new ATOM 1623 N TRP A 98 1.497 -0.834 -4.449 1.00 0.00 N ATOM 1624 CA TRP A 98 1.588 0.543 -4.859 1.00 0.00 C ATOM 1625 C TRP A 98 1.050 0.768 -6.268 1.00 0.00 C ATOM 1626 O TRP A 98 1.143 -0.099 -7.128 1.00 0.00 O ATOM 1627 CB TRP A 98 3.076 0.925 -4.656 1.00 0.00 C ATOM 1628 CG TRP A 98 3.343 2.409 -4.293 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.441 3.417 -4.465 1.00 0.00 C ATOM 1630 CD2 TRP A 98 4.405 2.763 -5.127 1.00 0.00 C ATOM 1631 NE1 TRP A 98 2.571 3.842 -5.755 1.00 0.00 N ATOM 1632 CE2 TRP A 98 3.772 3.332 -6.206 1.00 0.00 C ATOM 1633 CE3 TRP A 98 5.645 2.269 -5.159 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 4.353 3.304 -7.417 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 6.293 2.346 -6.357 1.00 0.00 C ATOM 1636 CH2 TRP A 98 5.639 2.812 -7.482 1.00 0.00 C ATOM 0 H TRP A 98 2.139 -1.437 -4.963 1.00 0.00 H new ATOM 0 HA TRP A 98 0.952 1.200 -4.265 1.00 0.00 H new ATOM 0 HB2 TRP A 98 3.490 0.297 -3.867 1.00 0.00 H new ATOM 0 HB3 TRP A 98 3.621 0.689 -5.570 1.00 0.00 H new ATOM 0 HD1 TRP A 98 1.757 3.804 -3.724 1.00 0.00 H new ATOM 0 HE1 TRP A 98 1.914 4.419 -6.280 1.00 0.00 H new ATOM 0 HE3 TRP A 98 6.109 1.833 -4.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 3.836 3.651 -8.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 7.326 2.040 -6.427 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.148 2.790 -8.434 1.00 0.00 H new ATOM 1647 N ILE A 99 0.398 1.942 -6.485 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.297 2.391 -7.692 1.00 0.00 C ATOM 1649 C ILE A 99 0.185 3.761 -8.243 1.00 0.00 C ATOM 1650 O ILE A 99 0.351 4.715 -7.486 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.810 2.404 -7.374 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.186 3.178 -6.062 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.250 0.923 -7.314 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.573 2.824 -5.493 1.00 0.00 C ATOM 0 H ILE A 99 0.349 2.648 -5.750 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.066 1.695 -8.498 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.339 2.954 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.431 2.971 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.151 4.249 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.316 0.869 -7.091 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.055 0.446 -8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.690 0.408 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.753 3.403 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.340 3.058 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.609 1.760 -5.257 1.00 0.00 H new ATOM 1666 N GLN A 100 0.407 3.915 -9.589 1.00 0.00 N ATOM 1667 CA GLN A 100 0.770 5.187 -10.256 1.00 0.00 C ATOM 1668 C GLN A 100 0.119 5.238 -11.659 1.00 0.00 C ATOM 1669 O GLN A 100 0.692 4.661 -12.590 1.00 0.00 O ATOM 1670 CB GLN A 100 2.306 5.548 -10.308 1.00 0.00 C ATOM 1671 CG GLN A 100 2.592 7.053 -10.079 1.00 0.00 C ATOM 1672 CD GLN A 100 1.721 7.986 -10.903 1.00 0.00 C ATOM 1673 OE1 GLN A 100 0.734 8.537 -10.418 1.00 0.00 O ATOM 1674 NE2 GLN A 100 2.008 8.145 -12.212 1.00 0.00 N ATOM 0 H GLN A 100 0.334 3.135 -10.243 1.00 0.00 H new ATOM 0 HA GLN A 100 0.367 5.970 -9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.834 4.966 -9.553 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.709 5.253 -11.277 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.451 7.281 -9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.638 7.252 -10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.827 7.688 -12.614 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.406 8.722 -12.800 1.00 0.00 H new