USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 401 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 44 CYS SG : rot 97:sc= -0.625 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.0159 K(o=-4.9,f=-5.7) USER MOD Set 1.3: A 63 CYS SG : rot 145:sc= -1.52 USER MOD Set 1.4: A 66 CYS SG : rot -39:sc= -2.72 USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= 0.015 USER MOD Set 2.2: A 29 CYS SG : rot -55:sc= -0.549 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.6 K(o=-3.7,f=-5) USER MOD Set 2.4: A 52 CYS SG : rot -165:sc= -1.53 USER MOD Single : A 12 TYR OH : rot 150:sc= 0 USER MOD Single : A 24 THR OG1 : rot 59:sc= 0.858 USER MOD Single : A 30 MET CE :methyl -158:sc= -1.03 (180deg=-1.57) USER MOD Single : A 31 CYS SG : rot 62:sc= 1.02 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.427 K(o=-0.43,f=-3.9!) USER MOD Single : A 45 ASN : amide:sc= 0.0117 X(o=0.012,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.367 3.075 5.819 1.00 0.00 N ATOM 128 CA TYR A 12 -9.711 4.451 6.154 1.00 0.00 C ATOM 129 C TYR A 12 -8.611 5.411 5.710 1.00 0.00 C ATOM 130 O TYR A 12 -7.428 5.072 5.735 1.00 0.00 O ATOM 131 CB TYR A 12 -9.946 4.589 7.659 1.00 0.00 C ATOM 132 CG TYR A 12 -8.672 4.748 8.459 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.927 5.918 8.390 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.214 3.727 9.283 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.763 6.068 9.118 1.00 0.00 C ATOM 136 CE2 TYR A 12 -7.051 3.869 10.016 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.329 5.041 9.930 1.00 0.00 C ATOM 138 OH TYR A 12 -5.170 5.185 10.657 1.00 0.00 O ATOM 0 HA TYR A 12 -10.629 4.708 5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.589 5.450 7.840 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.482 3.710 8.017 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.264 6.725 7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.776 2.807 9.352 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.196 6.985 9.052 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.709 3.066 10.653 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.234 4.660 11.482 1.00 0.00 H new ATOM 148 N ARG A 13 -9.011 6.612 5.304 1.00 0.00 N ATOM 149 CA ARG A 13 -8.061 7.622 4.853 1.00 0.00 C ATOM 150 C ARG A 13 -7.543 8.443 6.030 1.00 0.00 C ATOM 151 O ARG A 13 -8.316 8.897 6.873 1.00 0.00 O ATOM 152 CB ARG A 13 -8.715 8.544 3.823 1.00 0.00 C ATOM 153 CG ARG A 13 -9.173 7.824 2.565 1.00 0.00 C ATOM 154 CD ARG A 13 -9.717 8.798 1.532 1.00 0.00 C ATOM 155 NE ARG A 13 -10.428 8.114 0.455 1.00 0.00 N ATOM 156 CZ ARG A 13 -9.820 7.540 -0.578 1.00 0.00 C ATOM 157 NH1 ARG A 13 -8.498 7.569 -0.673 1.00 0.00 N ATOM 158 NH2 ARG A 13 -10.536 6.937 -1.518 1.00 0.00 N ATOM 0 H ARG A 13 -9.986 6.909 5.278 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.218 7.111 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.572 9.037 4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.008 9.326 3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.338 7.268 2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.943 7.096 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.389 9.504 2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.895 9.378 1.112 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.446 8.075 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.945 8.033 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.034 7.128 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.553 6.914 -1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.069 6.497 -2.311 1.00 0.00 H new ATOM 172 N PHE A 14 -6.228 8.630 6.080 1.00 0.00 N ATOM 173 CA PHE A 14 -5.605 9.396 7.154 1.00 0.00 C ATOM 174 C PHE A 14 -6.308 10.736 7.345 1.00 0.00 C ATOM 175 O PHE A 14 -6.897 11.279 6.411 1.00 0.00 O ATOM 176 CB PHE A 14 -4.122 9.624 6.853 1.00 0.00 C ATOM 177 CG PHE A 14 -3.471 10.620 7.769 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.505 11.974 7.478 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.823 10.201 8.920 1.00 0.00 C ATOM 180 CE1 PHE A 14 -2.907 12.893 8.319 1.00 0.00 C ATOM 181 CE2 PHE A 14 -2.224 11.116 9.765 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.264 12.463 9.464 1.00 0.00 C ATOM 0 H PHE A 14 -5.573 8.262 5.390 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.698 8.822 8.076 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.594 8.674 6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.017 9.966 5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.005 12.315 6.583 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.786 9.148 9.159 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.942 13.946 8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.725 10.777 10.661 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.794 13.179 10.122 1.00 0.00 H new ATOM 326 N THR A 24 2.378 7.986 12.368 1.00 0.00 N ATOM 327 CA THR A 24 1.981 7.363 11.112 1.00 0.00 C ATOM 328 C THR A 24 3.158 7.270 10.149 1.00 0.00 C ATOM 329 O THR A 24 3.525 8.253 9.503 1.00 0.00 O ATOM 330 CB THR A 24 0.838 8.142 10.435 1.00 0.00 C ATOM 331 OG1 THR A 24 1.359 9.299 9.771 1.00 0.00 O ATOM 332 CG2 THR A 24 -0.208 8.565 11.455 1.00 0.00 C ATOM 0 HA THR A 24 1.632 6.359 11.353 1.00 0.00 H new ATOM 0 HB THR A 24 0.365 7.486 9.704 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.019 9.022 9.101 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.005 9.113 10.953 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.624 7.681 11.937 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.255 9.204 12.207 1.00 0.00 H new ATOM 340 N LEU A 25 3.748 6.083 10.054 1.00 0.00 N ATOM 341 CA LEU A 25 4.885 5.862 9.168 1.00 0.00 C ATOM 342 C LEU A 25 4.820 4.476 8.535 1.00 0.00 C ATOM 343 O LEU A 25 4.341 3.522 9.150 1.00 0.00 O ATOM 344 CB LEU A 25 6.196 6.023 9.938 1.00 0.00 C ATOM 345 CG LEU A 25 7.476 5.980 9.101 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.555 6.846 9.731 1.00 0.00 C ATOM 347 CD2 LEU A 25 7.963 4.546 8.946 1.00 0.00 C ATOM 0 H LEU A 25 3.457 5.259 10.580 1.00 0.00 H new ATOM 0 HA LEU A 25 4.845 6.607 8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.166 6.973 10.472 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.251 5.236 10.690 1.00 0.00 H new ATOM 0 HG LEU A 25 7.254 6.377 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.458 6.803 9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.206 7.877 9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.776 6.480 10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.874 4.534 8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.169 4.123 9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.195 3.953 8.449 1.00 0.00 H new ATOM 359 N CYS A 26 5.306 4.370 7.303 1.00 0.00 N ATOM 360 CA CYS A 26 5.306 3.100 6.586 1.00 0.00 C ATOM 361 C CYS A 26 6.685 2.447 6.636 1.00 0.00 C ATOM 362 O CYS A 26 7.581 2.806 5.871 1.00 0.00 O ATOM 363 CB CYS A 26 4.881 3.311 5.132 1.00 0.00 C ATOM 364 SG CYS A 26 4.554 1.768 4.221 1.00 0.00 S ATOM 0 H CYS A 26 5.705 5.149 6.780 1.00 0.00 H new ATOM 0 HA CYS A 26 4.592 2.436 7.073 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.983 3.929 5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.662 3.868 4.614 1.00 0.00 H new ATOM 0 HG CYS A 26 3.598 1.112 4.808 1.00 0.00 H new ATOM 369 N VAL A 27 6.846 1.487 7.540 1.00 0.00 N ATOM 370 CA VAL A 27 8.114 0.783 7.689 1.00 0.00 C ATOM 371 C VAL A 27 8.511 0.086 6.392 1.00 0.00 C ATOM 372 O VAL A 27 9.686 -0.206 6.166 1.00 0.00 O ATOM 373 CB VAL A 27 8.047 -0.261 8.820 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.605 -1.611 8.276 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.393 -0.374 9.520 1.00 0.00 C ATOM 0 H VAL A 27 6.114 1.179 8.180 1.00 0.00 H new ATOM 0 HA VAL A 27 8.865 1.532 7.940 1.00 0.00 H new ATOM 0 HB VAL A 27 7.309 0.068 9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.564 -2.335 9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.618 -1.516 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.317 -1.951 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.328 -1.116 10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.153 -0.680 8.801 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.664 0.592 9.946 1.00 0.00 H new ATOM 385 N VAL A 28 7.524 -0.178 5.542 1.00 0.00 N ATOM 386 CA VAL A 28 7.770 -0.839 4.266 1.00 0.00 C ATOM 387 C VAL A 28 8.614 0.037 3.347 1.00 0.00 C ATOM 388 O VAL A 28 9.754 -0.300 3.025 1.00 0.00 O ATOM 389 CB VAL A 28 6.451 -1.191 3.553 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.712 -2.111 2.370 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.472 -1.827 4.528 1.00 0.00 C ATOM 0 H VAL A 28 6.546 0.056 5.714 1.00 0.00 H new ATOM 0 HA VAL A 28 8.312 -1.759 4.485 1.00 0.00 H new ATOM 0 HB VAL A 28 6.006 -0.271 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.768 -2.349 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.375 -1.614 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.180 -3.031 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.546 -2.069 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.907 -2.739 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.261 -1.130 5.339 1.00 0.00 H new ATOM 401 N CYS A 29 8.048 1.163 2.929 1.00 0.00 N ATOM 402 CA CYS A 29 8.747 2.089 2.046 1.00 0.00 C ATOM 403 C CYS A 29 9.371 3.233 2.841 1.00 0.00 C ATOM 404 O CYS A 29 9.747 4.261 2.279 1.00 0.00 O ATOM 405 CB CYS A 29 7.787 2.649 0.995 1.00 0.00 C ATOM 406 SG CYS A 29 6.408 3.617 1.688 1.00 0.00 S ATOM 0 H CYS A 29 7.106 1.457 3.188 1.00 0.00 H new ATOM 0 HA CYS A 29 9.544 1.540 1.544 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.348 3.279 0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.380 1.822 0.413 1.00 0.00 H new ATOM 0 HG CYS A 29 5.773 2.900 2.566 1.00 0.00 H new ATOM 411 N MET A 30 9.477 3.045 4.153 1.00 0.00 N ATOM 412 CA MET A 30 10.056 4.060 5.025 1.00 0.00 C ATOM 413 C MET A 30 9.626 5.458 4.593 1.00 0.00 C ATOM 414 O MET A 30 10.459 6.351 4.431 1.00 0.00 O ATOM 415 CB MET A 30 11.582 3.958 5.019 1.00 0.00 C ATOM 416 CG MET A 30 12.116 2.776 5.812 1.00 0.00 C ATOM 417 SD MET A 30 12.685 3.244 7.458 1.00 0.00 S ATOM 418 CE MET A 30 11.262 2.796 8.449 1.00 0.00 C ATOM 0 H MET A 30 9.170 2.200 4.635 1.00 0.00 H new ATOM 0 HA MET A 30 9.692 3.884 6.037 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.929 3.880 3.989 1.00 0.00 H new ATOM 0 HB3 MET A 30 12.001 4.878 5.427 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.335 2.022 5.903 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.939 2.318 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.279 3.356 9.384 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.349 3.031 7.902 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.291 1.728 8.665 1.00 0.00 H new ATOM 428 N CYS A 31 8.324 5.641 4.407 1.00 0.00 N ATOM 429 CA CYS A 31 7.785 6.931 3.991 1.00 0.00 C ATOM 430 C CYS A 31 6.484 7.239 4.727 1.00 0.00 C ATOM 431 O CYS A 31 5.687 6.342 5.001 1.00 0.00 O ATOM 432 CB CYS A 31 7.546 6.945 2.481 1.00 0.00 C ATOM 433 SG CYS A 31 9.058 6.855 1.494 1.00 0.00 S ATOM 0 H CYS A 31 7.622 4.913 4.538 1.00 0.00 H new ATOM 0 HA CYS A 31 8.515 7.700 4.243 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.903 6.105 2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.007 7.855 2.218 1.00 0.00 H new ATOM 0 HG CYS A 31 9.668 5.733 1.736 1.00 0.00 H new ATOM 439 N ASP A 32 6.278 8.512 5.045 1.00 0.00 N ATOM 440 CA ASP A 32 5.075 8.939 5.750 1.00 0.00 C ATOM 441 C ASP A 32 3.879 8.986 4.804 1.00 0.00 C ATOM 442 O ASP A 32 3.915 9.658 3.773 1.00 0.00 O ATOM 443 CB ASP A 32 5.291 10.312 6.387 1.00 0.00 C ATOM 444 CG ASP A 32 3.996 11.082 6.558 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.038 10.513 7.122 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.940 12.252 6.126 1.00 0.00 O ATOM 0 H ASP A 32 6.928 9.266 4.826 1.00 0.00 H new ATOM 0 HA ASP A 32 4.867 8.212 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.767 10.187 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.976 10.892 5.769 1.00 0.00 H new ATOM 451 N PHE A 33 2.820 8.266 5.160 1.00 0.00 N ATOM 452 CA PHE A 33 1.613 8.224 4.342 1.00 0.00 C ATOM 453 C PHE A 33 1.160 9.633 3.969 1.00 0.00 C ATOM 454 O PHE A 33 1.674 10.620 4.494 1.00 0.00 O ATOM 455 CB PHE A 33 0.492 7.496 5.087 1.00 0.00 C ATOM 456 CG PHE A 33 0.973 6.332 5.904 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.321 5.137 5.294 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.076 6.431 7.282 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.764 4.063 6.043 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.519 5.361 8.036 1.00 0.00 C ATOM 461 CZ PHE A 33 1.862 4.175 7.416 1.00 0.00 C ATOM 0 H PHE A 33 2.773 7.704 6.010 1.00 0.00 H new ATOM 0 HA PHE A 33 1.843 7.681 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.017 8.203 5.742 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.244 7.143 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.245 5.044 4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.807 7.355 7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.033 3.138 5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.597 5.452 9.109 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.206 3.337 8.004 1.00 0.00 H new ATOM 471 N GLU A 34 0.196 9.716 3.058 1.00 0.00 N ATOM 472 CA GLU A 34 -0.326 11.003 2.613 1.00 0.00 C ATOM 473 C GLU A 34 -1.440 11.487 3.537 1.00 0.00 C ATOM 474 O GLU A 34 -1.835 10.788 4.469 1.00 0.00 O ATOM 475 CB GLU A 34 -0.846 10.899 1.178 1.00 0.00 C ATOM 476 CG GLU A 34 -0.695 12.183 0.381 1.00 0.00 C ATOM 477 CD GLU A 34 0.635 12.869 0.626 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.648 12.426 0.045 1.00 0.00 O ATOM 479 OE2 GLU A 34 0.663 13.849 1.400 1.00 0.00 O ATOM 0 H GLU A 34 -0.239 8.908 2.614 1.00 0.00 H new ATOM 0 HA GLU A 34 0.488 11.727 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.314 10.098 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.899 10.618 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.794 11.961 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.505 12.865 0.641 1.00 0.00 H new ATOM 486 N SER A 35 -1.941 12.689 3.270 1.00 0.00 N ATOM 487 CA SER A 35 -3.006 13.270 4.078 1.00 0.00 C ATOM 488 C SER A 35 -4.370 12.745 3.639 1.00 0.00 C ATOM 489 O SER A 35 -5.310 12.686 4.432 1.00 0.00 O ATOM 490 CB SER A 35 -2.978 14.796 3.977 1.00 0.00 C ATOM 491 OG SER A 35 -1.736 15.314 4.423 1.00 0.00 O ATOM 0 H SER A 35 -1.626 13.279 2.500 1.00 0.00 H new ATOM 0 HA SER A 35 -2.841 12.979 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.152 15.099 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.787 15.218 4.573 1.00 0.00 H new ATOM 0 HG SER A 35 -1.743 16.291 4.347 1.00 0.00 H new ATOM 497 N ARG A 36 -4.469 12.365 2.369 1.00 0.00 N ATOM 498 CA ARG A 36 -5.717 11.846 1.822 1.00 0.00 C ATOM 499 C ARG A 36 -5.465 10.599 0.981 1.00 0.00 C ATOM 500 O ARG A 36 -5.601 10.626 -0.242 1.00 0.00 O ATOM 501 CB ARG A 36 -6.410 12.915 0.974 1.00 0.00 C ATOM 502 CG ARG A 36 -5.509 13.534 -0.081 1.00 0.00 C ATOM 503 CD ARG A 36 -4.837 14.798 0.433 1.00 0.00 C ATOM 504 NE ARG A 36 -5.629 15.992 0.151 1.00 0.00 N ATOM 505 CZ ARG A 36 -5.473 17.146 0.790 1.00 0.00 C ATOM 506 NH1 ARG A 36 -4.557 17.261 1.742 1.00 0.00 N ATOM 507 NH2 ARG A 36 -6.232 18.188 0.476 1.00 0.00 N ATOM 0 H ARG A 36 -3.700 12.407 1.700 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.365 11.576 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.277 12.472 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.781 13.702 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.749 12.813 -0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.095 13.768 -0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.679 14.713 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.854 14.898 -0.026 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.341 15.937 -0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.971 16.462 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.439 18.148 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.936 18.103 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.111 19.074 0.968 1.00 0.00 H new ATOM 521 N GLN A 37 -5.096 9.508 1.645 1.00 0.00 N ATOM 522 CA GLN A 37 -4.824 8.251 0.957 1.00 0.00 C ATOM 523 C GLN A 37 -5.257 7.061 1.807 1.00 0.00 C ATOM 524 O GLN A 37 -5.279 7.137 3.036 1.00 0.00 O ATOM 525 CB GLN A 37 -3.335 8.140 0.624 1.00 0.00 C ATOM 526 CG GLN A 37 -2.861 9.167 -0.392 1.00 0.00 C ATOM 527 CD GLN A 37 -3.270 8.818 -1.809 1.00 0.00 C ATOM 528 OE1 GLN A 37 -4.269 8.132 -2.029 1.00 0.00 O ATOM 529 NE2 GLN A 37 -2.498 9.289 -2.782 1.00 0.00 N ATOM 0 H GLN A 37 -4.979 9.469 2.657 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.398 8.241 0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.757 8.254 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.130 7.140 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.267 10.144 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.775 9.249 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.679 9.854 -2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.724 9.086 -3.756 1.00 0.00 H new ATOM 538 N LEU A 38 -5.602 5.962 1.144 1.00 0.00 N ATOM 539 CA LEU A 38 -6.035 4.755 1.839 1.00 0.00 C ATOM 540 C LEU A 38 -4.860 4.074 2.532 1.00 0.00 C ATOM 541 O LEU A 38 -3.873 3.709 1.891 1.00 0.00 O ATOM 542 CB LEU A 38 -6.693 3.785 0.855 1.00 0.00 C ATOM 543 CG LEU A 38 -7.638 2.749 1.464 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.907 3.417 1.971 1.00 0.00 C ATOM 545 CD2 LEU A 38 -7.972 1.668 0.447 1.00 0.00 C ATOM 0 H LEU A 38 -5.590 5.882 0.127 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.762 5.044 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.249 4.367 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.907 3.257 0.315 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.135 2.280 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.568 2.664 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.651 4.153 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.413 3.913 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.646 0.939 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.454 2.120 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.056 1.169 0.133 1.00 0.00 H new ATOM 557 N LEU A 39 -4.972 3.903 3.845 1.00 0.00 N ATOM 558 CA LEU A 39 -3.919 3.263 4.626 1.00 0.00 C ATOM 559 C LEU A 39 -4.482 2.119 5.464 1.00 0.00 C ATOM 560 O LEU A 39 -5.567 2.230 6.034 1.00 0.00 O ATOM 561 CB LEU A 39 -3.237 4.288 5.534 1.00 0.00 C ATOM 562 CG LEU A 39 -2.967 5.659 4.915 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.506 6.644 5.978 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.933 5.548 3.804 1.00 0.00 C ATOM 0 H LEU A 39 -5.781 4.199 4.391 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.184 2.854 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.856 4.427 6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.288 3.871 5.871 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.896 6.031 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.319 7.614 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.279 6.746 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.589 6.278 6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.753 6.534 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.002 5.154 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.302 4.876 3.029 1.00 0.00 H new ATOM 576 N ARG A 40 -3.735 1.022 5.535 1.00 0.00 N ATOM 577 CA ARG A 40 -4.159 -0.142 6.304 1.00 0.00 C ATOM 578 C ARG A 40 -3.397 -0.228 7.624 1.00 0.00 C ATOM 579 O ARG A 40 -2.171 -0.119 7.653 1.00 0.00 O ATOM 580 CB ARG A 40 -3.943 -1.421 5.494 1.00 0.00 C ATOM 581 CG ARG A 40 -5.033 -1.682 4.467 1.00 0.00 C ATOM 582 CD ARG A 40 -5.228 -3.172 4.228 1.00 0.00 C ATOM 583 NE ARG A 40 -6.404 -3.445 3.407 1.00 0.00 N ATOM 584 CZ ARG A 40 -6.688 -4.642 2.905 1.00 0.00 C ATOM 585 NH1 ARG A 40 -5.885 -5.670 3.140 1.00 0.00 N ATOM 586 NH2 ARG A 40 -7.777 -4.811 2.166 1.00 0.00 N ATOM 0 H ARG A 40 -2.834 0.915 5.070 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.221 -0.034 6.523 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.982 -1.360 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.888 -2.269 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.970 -1.242 4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.775 -1.192 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.343 -3.580 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.328 -3.683 5.186 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.042 -2.675 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.047 -5.543 3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.105 -6.588 2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.397 -4.022 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.994 -5.730 1.781 1.00 0.00 H new ATOM 600 N VAL A 41 -4.132 -0.424 8.714 1.00 0.00 N ATOM 601 CA VAL A 41 -3.526 -0.526 10.036 1.00 0.00 C ATOM 602 C VAL A 41 -3.496 -1.973 10.517 1.00 0.00 C ATOM 603 O VAL A 41 -4.540 -2.602 10.693 1.00 0.00 O ATOM 604 CB VAL A 41 -4.284 0.330 11.068 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.653 0.190 12.445 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.313 1.787 10.631 1.00 0.00 C ATOM 0 H VAL A 41 -5.148 -0.515 8.707 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.505 -0.155 9.946 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.312 -0.029 11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.202 0.802 13.161 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.689 -0.854 12.757 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.615 0.521 12.405 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.852 2.378 11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.293 2.160 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.815 1.868 9.667 1.00 0.00 H new ATOM 616 N LEU A 42 -2.293 -2.495 10.727 1.00 0.00 N ATOM 617 CA LEU A 42 -2.125 -3.869 11.189 1.00 0.00 C ATOM 618 C LEU A 42 -2.803 -4.076 12.540 1.00 0.00 C ATOM 619 O LEU A 42 -3.035 -3.133 13.296 1.00 0.00 O ATOM 620 CB LEU A 42 -0.639 -4.215 11.292 1.00 0.00 C ATOM 621 CG LEU A 42 0.073 -4.520 9.974 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.510 -4.947 10.229 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.676 -5.595 9.199 1.00 0.00 C ATOM 0 H LEU A 42 -1.419 -1.988 10.585 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.596 -4.531 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.126 -3.383 11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.533 -5.079 11.948 1.00 0.00 H new ATOM 0 HG LEU A 42 0.088 -3.611 9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.000 -5.160 9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.042 -4.145 10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.519 -5.842 10.850 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.155 -5.799 8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.723 -6.507 9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.687 -5.250 8.983 1.00 0.00 H new ATOM 635 N PRO A 43 -3.126 -5.339 12.852 1.00 0.00 N ATOM 636 CA PRO A 43 -3.779 -5.700 14.114 1.00 0.00 C ATOM 637 C PRO A 43 -2.852 -5.538 15.314 1.00 0.00 C ATOM 638 O PRO A 43 -3.219 -5.862 16.444 1.00 0.00 O ATOM 639 CB PRO A 43 -4.144 -7.174 13.916 1.00 0.00 C ATOM 640 CG PRO A 43 -3.166 -7.674 12.910 1.00 0.00 C ATOM 641 CD PRO A 43 -2.880 -6.513 11.998 1.00 0.00 C ATOM 0 HA PRO A 43 -4.635 -5.059 14.327 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.069 -7.729 14.851 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.169 -7.284 13.561 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.254 -8.025 13.393 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.576 -8.516 12.353 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.854 -6.534 11.630 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.532 -6.518 11.125 1.00 0.00 H new ATOM 649 N CYS A 44 -1.649 -5.033 15.061 1.00 0.00 N ATOM 650 CA CYS A 44 -0.668 -4.827 16.120 1.00 0.00 C ATOM 651 C CYS A 44 -0.559 -3.348 16.480 1.00 0.00 C ATOM 652 O CYS A 44 0.357 -2.938 17.192 1.00 0.00 O ATOM 653 CB CYS A 44 0.699 -5.360 15.688 1.00 0.00 C ATOM 654 SG CYS A 44 1.173 -4.904 13.989 1.00 0.00 S ATOM 0 H CYS A 44 -1.330 -4.759 14.132 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.002 -5.374 17.002 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.457 -4.987 16.377 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.697 -6.447 15.774 1.00 0.00 H new ATOM 0 HG CYS A 44 1.945 -3.859 14.020 1.00 0.00 H new ATOM 659 N ASN A 45 -1.500 -2.552 15.983 1.00 0.00 N ATOM 660 CA ASN A 45 -1.510 -1.119 16.251 1.00 0.00 C ATOM 661 C ASN A 45 -0.432 -0.406 15.441 1.00 0.00 C ATOM 662 O ASN A 45 0.289 0.446 15.961 1.00 0.00 O ATOM 663 CB ASN A 45 -1.299 -0.857 17.744 1.00 0.00 C ATOM 664 CG ASN A 45 -1.964 0.425 18.206 1.00 0.00 C ATOM 665 OD1 ASN A 45 -3.159 0.447 18.499 1.00 0.00 O ATOM 666 ND2 ASN A 45 -1.190 1.502 18.272 1.00 0.00 N ATOM 0 H ASN A 45 -2.266 -2.876 15.392 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.482 -0.726 15.953 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.695 -1.695 18.317 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.231 -0.805 17.953 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.582 2.394 18.575 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.204 1.438 18.019 1.00 0.00 H new ATOM 673 N HIS A 46 -0.328 -0.761 14.164 1.00 0.00 N ATOM 674 CA HIS A 46 0.662 -0.154 13.280 1.00 0.00 C ATOM 675 C HIS A 46 0.022 0.278 11.964 1.00 0.00 C ATOM 676 O HIS A 46 -0.819 -0.430 11.411 1.00 0.00 O ATOM 677 CB HIS A 46 1.803 -1.135 13.009 1.00 0.00 C ATOM 678 CG HIS A 46 2.850 -1.146 14.079 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.537 -2.283 14.448 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.329 -0.149 14.860 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.391 -1.986 15.411 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.285 -0.697 15.680 1.00 0.00 N ATOM 0 H HIS A 46 -0.916 -1.465 13.718 1.00 0.00 H new ATOM 0 HA HIS A 46 1.063 0.730 13.775 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.391 -2.139 12.905 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.270 -0.882 12.057 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.017 0.885 14.842 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.062 -2.679 15.896 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.825 -0.191 16.382 1.00 0.00 H new ATOM 690 N GLU A 47 0.427 1.444 11.470 1.00 0.00 N ATOM 691 CA GLU A 47 -0.108 1.970 10.219 1.00 0.00 C ATOM 692 C GLU A 47 0.761 1.552 9.037 1.00 0.00 C ATOM 693 O GLU A 47 1.985 1.474 9.149 1.00 0.00 O ATOM 694 CB GLU A 47 -0.205 3.495 10.282 1.00 0.00 C ATOM 695 CG GLU A 47 -1.008 4.006 11.466 1.00 0.00 C ATOM 696 CD GLU A 47 -1.100 5.519 11.500 1.00 0.00 C ATOM 697 OE1 GLU A 47 -1.590 6.106 10.512 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.681 6.117 12.513 1.00 0.00 O ATOM 0 H GLU A 47 1.123 2.042 11.916 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.106 1.556 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.801 3.913 10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.660 3.860 9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.013 3.586 11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.550 3.653 12.390 1.00 0.00 H new ATOM 705 N PHE A 48 0.121 1.285 7.904 1.00 0.00 N ATOM 706 CA PHE A 48 0.835 0.874 6.700 1.00 0.00 C ATOM 707 C PHE A 48 0.089 1.322 5.446 1.00 0.00 C ATOM 708 O PHE A 48 -1.047 1.790 5.520 1.00 0.00 O ATOM 709 CB PHE A 48 1.017 -0.645 6.684 1.00 0.00 C ATOM 710 CG PHE A 48 1.851 -1.161 7.822 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.234 -1.181 7.731 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.252 -1.626 8.981 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.004 -1.654 8.777 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.017 -2.100 10.030 1.00 0.00 C ATOM 715 CZ PHE A 48 3.395 -2.116 9.927 1.00 0.00 C ATOM 0 H PHE A 48 -0.891 1.346 7.794 1.00 0.00 H new ATOM 0 HA PHE A 48 1.815 1.350 6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.037 -1.121 6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.481 -0.937 5.742 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.715 -0.823 6.833 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.175 -1.618 9.066 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.081 -1.662 8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.538 -2.458 10.930 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.994 -2.489 10.744 1.00 0.00 H new ATOM 725 N HIS A 49 0.738 1.175 4.295 1.00 0.00 N ATOM 726 CA HIS A 49 0.137 1.563 3.024 1.00 0.00 C ATOM 727 C HIS A 49 -0.706 0.428 2.452 1.00 0.00 C ATOM 728 O HIS A 49 -0.230 -0.696 2.300 1.00 0.00 O ATOM 729 CB HIS A 49 1.223 1.962 2.024 1.00 0.00 C ATOM 730 CG HIS A 49 1.533 3.427 2.029 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.817 3.924 2.095 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.716 4.505 1.973 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.777 5.245 2.082 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.513 5.622 2.008 1.00 0.00 N ATOM 0 H HIS A 49 1.679 0.790 4.217 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.514 2.419 3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.133 1.406 2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.908 1.669 1.022 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.666 3.360 2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.362 4.489 1.912 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.632 5.904 2.125 1.00 0.00 H new ATOM 742 N ALA A 50 -1.962 0.730 2.138 1.00 0.00 N ATOM 743 CA ALA A 50 -2.871 -0.265 1.582 1.00 0.00 C ATOM 744 C ALA A 50 -2.202 -1.055 0.463 1.00 0.00 C ATOM 745 O ALA A 50 -2.528 -2.219 0.229 1.00 0.00 O ATOM 746 CB ALA A 50 -4.139 0.405 1.073 1.00 0.00 C ATOM 0 H ALA A 50 -2.373 1.656 2.259 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.136 -0.963 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.809 -0.350 0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.635 0.919 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.883 1.126 0.297 1.00 0.00 H new ATOM 752 N LYS A 51 -1.264 -0.415 -0.228 1.00 0.00 N ATOM 753 CA LYS A 51 -0.547 -1.058 -1.323 1.00 0.00 C ATOM 754 C LYS A 51 0.680 -1.802 -0.808 1.00 0.00 C ATOM 755 O LYS A 51 0.833 -3.002 -1.038 1.00 0.00 O ATOM 756 CB LYS A 51 -0.126 -0.018 -2.364 1.00 0.00 C ATOM 757 CG LYS A 51 0.770 1.073 -1.805 1.00 0.00 C ATOM 758 CD LYS A 51 0.872 2.253 -2.757 1.00 0.00 C ATOM 759 CE LYS A 51 1.697 1.907 -3.987 1.00 0.00 C ATOM 760 NZ LYS A 51 3.154 2.101 -3.750 1.00 0.00 N ATOM 0 H LYS A 51 -0.983 0.549 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.218 -1.779 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.394 -0.522 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.019 0.439 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.378 1.411 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.765 0.668 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.127 2.562 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.324 3.100 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.510 0.871 -4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.379 2.529 -4.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.682 1.855 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.336 3.095 -3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.463 1.489 -2.968 1.00 0.00 H new ATOM 774 N CYS A 52 1.552 -1.084 -0.108 1.00 0.00 N ATOM 775 CA CYS A 52 2.765 -1.676 0.442 1.00 0.00 C ATOM 776 C CYS A 52 2.446 -2.951 1.217 1.00 0.00 C ATOM 777 O CYS A 52 2.816 -4.050 0.806 1.00 0.00 O ATOM 778 CB CYS A 52 3.478 -0.676 1.354 1.00 0.00 C ATOM 779 SG CYS A 52 3.964 0.871 0.524 1.00 0.00 S ATOM 0 H CYS A 52 1.441 -0.090 0.092 1.00 0.00 H new ATOM 0 HA CYS A 52 3.423 -1.932 -0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.825 -0.436 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.368 -1.149 1.768 1.00 0.00 H new ATOM 0 HG CYS A 52 4.815 1.513 1.267 1.00 0.00 H new ATOM 784 N VAL A 53 1.755 -2.795 2.343 1.00 0.00 N ATOM 785 CA VAL A 53 1.384 -3.932 3.176 1.00 0.00 C ATOM 786 C VAL A 53 0.837 -5.077 2.331 1.00 0.00 C ATOM 787 O VAL A 53 1.011 -6.248 2.667 1.00 0.00 O ATOM 788 CB VAL A 53 0.331 -3.537 4.228 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.033 -3.360 3.579 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.272 -4.575 5.338 1.00 0.00 C ATOM 0 H VAL A 53 1.441 -1.892 2.698 1.00 0.00 H new ATOM 0 HA VAL A 53 2.290 -4.260 3.685 1.00 0.00 H new ATOM 0 HB VAL A 53 0.623 -2.584 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.764 -3.081 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.978 -2.576 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.337 -4.296 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.477 -4.280 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.005 -5.544 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.246 -4.646 5.822 1.00 0.00 H new ATOM 800 N ASP A 54 0.176 -4.730 1.232 1.00 0.00 N ATOM 801 CA ASP A 54 -0.396 -5.729 0.337 1.00 0.00 C ATOM 802 C ASP A 54 0.691 -6.637 -0.230 1.00 0.00 C ATOM 803 O ASP A 54 0.628 -7.859 -0.094 1.00 0.00 O ATOM 804 CB ASP A 54 -1.155 -5.048 -0.804 1.00 0.00 C ATOM 805 CG ASP A 54 -2.297 -5.897 -1.328 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.060 -6.705 -2.250 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.426 -5.755 -0.814 1.00 0.00 O ATOM 0 H ASP A 54 0.023 -3.765 0.940 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.091 -6.340 0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.547 -4.092 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.463 -4.832 -1.618 1.00 0.00 H new ATOM 812 N LYS A 55 1.688 -6.031 -0.867 1.00 0.00 N ATOM 813 CA LYS A 55 2.790 -6.784 -1.455 1.00 0.00 C ATOM 814 C LYS A 55 3.611 -7.479 -0.374 1.00 0.00 C ATOM 815 O LYS A 55 4.015 -8.631 -0.534 1.00 0.00 O ATOM 816 CB LYS A 55 3.688 -5.855 -2.275 1.00 0.00 C ATOM 817 CG LYS A 55 3.069 -5.414 -3.589 1.00 0.00 C ATOM 818 CD LYS A 55 4.073 -4.678 -4.460 1.00 0.00 C ATOM 819 CE LYS A 55 3.725 -4.798 -5.936 1.00 0.00 C ATOM 820 NZ LYS A 55 2.618 -3.878 -6.321 1.00 0.00 N ATOM 0 H LYS A 55 1.755 -5.021 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 55 2.369 -7.545 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.923 -4.973 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.631 -6.362 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.691 -6.285 -4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.215 -4.767 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.100 -3.626 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.071 -5.081 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.607 -4.576 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.438 -5.825 -6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.410 -3.990 -7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.768 -4.106 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.902 -2.895 -6.132 1.00 0.00 H new ATOM 834 N TRP A 56 3.852 -6.774 0.725 1.00 0.00 N ATOM 835 CA TRP A 56 4.624 -7.326 1.833 1.00 0.00 C ATOM 836 C TRP A 56 3.998 -8.619 2.342 1.00 0.00 C ATOM 837 O TRP A 56 4.608 -9.686 2.272 1.00 0.00 O ATOM 838 CB TRP A 56 4.721 -6.308 2.970 1.00 0.00 C ATOM 839 CG TRP A 56 5.433 -6.835 4.179 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.862 -7.300 5.329 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.849 -6.948 4.358 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.838 -7.695 6.212 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.065 -7.490 5.640 1.00 0.00 C ATOM 844 CE3 TRP A 56 7.956 -6.646 3.560 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.342 -7.735 6.139 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.222 -6.889 4.056 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.407 -7.430 5.336 1.00 0.00 C ATOM 0 H TRP A 56 3.524 -5.819 0.873 1.00 0.00 H new ATOM 0 HA TRP A 56 5.627 -7.550 1.469 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.240 -5.420 2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.716 -5.996 3.256 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.800 -7.350 5.517 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.675 -8.079 7.143 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.824 -6.230 2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.487 -8.151 7.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.084 -6.658 3.447 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.410 -7.610 5.695 1.00 0.00 H new ATOM 858 N LEU A 57 2.777 -8.517 2.856 1.00 0.00 N ATOM 859 CA LEU A 57 2.067 -9.680 3.377 1.00 0.00 C ATOM 860 C LEU A 57 2.243 -10.884 2.457 1.00 0.00 C ATOM 861 O LEU A 57 2.219 -12.030 2.905 1.00 0.00 O ATOM 862 CB LEU A 57 0.580 -9.363 3.541 1.00 0.00 C ATOM 863 CG LEU A 57 0.224 -8.364 4.644 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.234 -7.945 4.534 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.507 -8.961 6.015 1.00 0.00 C ATOM 0 H LEU A 57 2.258 -7.641 2.923 1.00 0.00 H new ATOM 0 HA LEU A 57 2.490 -9.926 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.205 -8.976 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.050 -10.295 3.738 1.00 0.00 H new ATOM 0 HG LEU A 57 0.846 -7.477 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.469 -7.234 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.406 -7.477 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.873 -8.822 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.248 -8.237 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.089 -9.864 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.565 -9.211 6.092 1.00 0.00 H new ATOM 877 N LYS A 58 2.423 -10.615 1.168 1.00 0.00 N ATOM 878 CA LYS A 58 2.607 -11.675 0.184 1.00 0.00 C ATOM 879 C LYS A 58 3.913 -12.425 0.430 1.00 0.00 C ATOM 880 O LYS A 58 3.959 -13.652 0.350 1.00 0.00 O ATOM 881 CB LYS A 58 2.600 -11.092 -1.231 1.00 0.00 C ATOM 882 CG LYS A 58 2.092 -12.060 -2.285 1.00 0.00 C ATOM 883 CD LYS A 58 1.963 -11.389 -3.643 1.00 0.00 C ATOM 884 CE LYS A 58 0.571 -10.813 -3.850 1.00 0.00 C ATOM 885 NZ LYS A 58 0.573 -9.699 -4.838 1.00 0.00 N ATOM 0 H LYS A 58 2.445 -9.672 0.781 1.00 0.00 H new ATOM 0 HA LYS A 58 1.780 -12.378 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.979 -10.196 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.612 -10.782 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.773 -12.908 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.123 -12.456 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.703 -10.594 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.179 -12.112 -4.429 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.101 -11.600 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.182 -10.453 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.394 -9.334 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.194 -8.936 -4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.920 -10.048 -5.754 1.00 0.00 H new ATOM 899 N ALA A 59 4.971 -11.679 0.730 1.00 0.00 N ATOM 900 CA ALA A 59 6.276 -12.274 0.991 1.00 0.00 C ATOM 901 C ALA A 59 6.383 -12.749 2.436 1.00 0.00 C ATOM 902 O ALA A 59 6.835 -13.862 2.701 1.00 0.00 O ATOM 903 CB ALA A 59 7.382 -11.277 0.677 1.00 0.00 C ATOM 0 H ALA A 59 4.950 -10.662 0.798 1.00 0.00 H new ATOM 0 HA ALA A 59 6.389 -13.142 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.351 -11.734 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.325 -10.989 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.263 -10.392 1.302 1.00 0.00 H new ATOM 909 N ASN A 60 5.965 -11.897 3.367 1.00 0.00 N ATOM 910 CA ASN A 60 6.016 -12.230 4.786 1.00 0.00 C ATOM 911 C ASN A 60 4.660 -12.003 5.447 1.00 0.00 C ATOM 912 O ASN A 60 4.138 -10.888 5.448 1.00 0.00 O ATOM 913 CB ASN A 60 7.086 -11.393 5.490 1.00 0.00 C ATOM 914 CG ASN A 60 8.477 -11.655 4.944 1.00 0.00 C ATOM 915 OD1 ASN A 60 9.029 -12.742 5.117 1.00 0.00 O ATOM 916 ND2 ASN A 60 9.050 -10.657 4.282 1.00 0.00 N ATOM 0 H ASN A 60 5.587 -10.971 3.164 1.00 0.00 H new ATOM 0 HA ASN A 60 6.272 -13.286 4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.848 -10.335 5.378 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.070 -11.612 6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.985 -10.774 3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.555 -9.773 4.163 1.00 0.00 H new ATOM 923 N ARG A 61 4.096 -13.067 6.008 1.00 0.00 N ATOM 924 CA ARG A 61 2.801 -12.984 6.672 1.00 0.00 C ATOM 925 C ARG A 61 2.950 -12.434 8.088 1.00 0.00 C ATOM 926 O ARG A 61 2.291 -12.899 9.019 1.00 0.00 O ATOM 927 CB ARG A 61 2.137 -14.362 6.716 1.00 0.00 C ATOM 928 CG ARG A 61 2.980 -15.423 7.403 1.00 0.00 C ATOM 929 CD ARG A 61 2.741 -15.438 8.905 1.00 0.00 C ATOM 930 NE ARG A 61 2.927 -16.770 9.475 1.00 0.00 N ATOM 931 CZ ARG A 61 3.257 -16.987 10.743 1.00 0.00 C ATOM 932 NH1 ARG A 61 3.435 -15.965 11.569 1.00 0.00 N ATOM 933 NH2 ARG A 61 3.409 -18.228 11.188 1.00 0.00 N ATOM 0 H ARG A 61 4.515 -13.997 6.016 1.00 0.00 H new ATOM 0 HA ARG A 61 2.171 -12.303 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.181 -14.279 7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.922 -14.685 5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.745 -16.402 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.035 -15.237 7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.423 -14.738 9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.729 -15.092 9.115 1.00 0.00 H new ATOM 0 HE ARG A 61 2.796 -17.578 8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.318 -15.010 11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.688 -16.134 12.542 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.272 -19.017 10.556 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.662 -18.393 12.162 1.00 0.00 H new ATOM 947 N THR A 62 3.820 -11.441 8.243 1.00 0.00 N ATOM 948 CA THR A 62 4.057 -10.829 9.544 1.00 0.00 C ATOM 949 C THR A 62 4.290 -9.328 9.412 1.00 0.00 C ATOM 950 O THR A 62 4.514 -8.819 8.313 1.00 0.00 O ATOM 951 CB THR A 62 5.269 -11.464 10.252 1.00 0.00 C ATOM 952 OG1 THR A 62 6.424 -11.386 9.409 1.00 0.00 O ATOM 953 CG2 THR A 62 4.989 -12.918 10.603 1.00 0.00 C ATOM 0 H THR A 62 4.372 -11.044 7.483 1.00 0.00 H new ATOM 0 HA THR A 62 3.163 -11.004 10.142 1.00 0.00 H new ATOM 0 HB THR A 62 5.454 -10.913 11.174 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.191 -11.790 9.866 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.859 -13.346 11.102 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.126 -12.972 11.267 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.781 -13.479 9.692 1.00 0.00 H new ATOM 961 N CYS A 63 4.236 -8.624 10.537 1.00 0.00 N ATOM 962 CA CYS A 63 4.441 -7.181 10.547 1.00 0.00 C ATOM 963 C CYS A 63 5.918 -6.840 10.368 1.00 0.00 C ATOM 964 O CYS A 63 6.782 -7.304 11.112 1.00 0.00 O ATOM 965 CB CYS A 63 3.923 -6.580 11.856 1.00 0.00 C ATOM 966 SG CYS A 63 4.254 -4.798 12.038 1.00 0.00 S ATOM 0 H CYS A 63 4.052 -9.030 11.454 1.00 0.00 H new ATOM 0 HA CYS A 63 3.884 -6.754 9.713 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.848 -6.747 11.920 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.378 -7.111 12.692 1.00 0.00 H new ATOM 0 HG CYS A 63 3.264 -4.235 12.665 1.00 0.00 H new ATOM 971 N PRO A 64 6.215 -6.009 9.358 1.00 0.00 N ATOM 972 CA PRO A 64 7.586 -5.587 9.058 1.00 0.00 C ATOM 973 C PRO A 64 8.151 -4.652 10.122 1.00 0.00 C ATOM 974 O PRO A 64 9.206 -4.046 9.932 1.00 0.00 O ATOM 975 CB PRO A 64 7.446 -4.853 7.722 1.00 0.00 C ATOM 976 CG PRO A 64 6.035 -4.379 7.696 1.00 0.00 C ATOM 977 CD PRO A 64 5.235 -5.418 8.432 1.00 0.00 C ATOM 0 HA PRO A 64 8.275 -6.431 9.027 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.145 -4.019 7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.657 -5.516 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.942 -3.404 8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.680 -4.267 6.672 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.394 -4.975 8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.823 -6.164 7.752 1.00 0.00 H new ATOM 985 N ILE A 65 7.443 -4.541 11.241 1.00 0.00 N ATOM 986 CA ILE A 65 7.876 -3.681 12.336 1.00 0.00 C ATOM 987 C ILE A 65 8.095 -4.486 13.613 1.00 0.00 C ATOM 988 O ILE A 65 9.222 -4.614 14.093 1.00 0.00 O ATOM 989 CB ILE A 65 6.851 -2.566 12.615 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.538 -1.797 11.329 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.373 -1.623 13.689 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.618 -0.615 11.541 1.00 0.00 C ATOM 0 H ILE A 65 6.568 -5.035 11.413 1.00 0.00 H new ATOM 0 HA ILE A 65 8.818 -3.228 12.028 1.00 0.00 H new ATOM 0 HB ILE A 65 5.929 -3.022 12.976 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.471 -1.446 10.889 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.082 -2.478 10.610 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.637 -0.840 13.875 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.550 -2.181 14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.307 -1.171 13.354 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.440 -0.117 10.588 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.670 -0.961 11.953 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.081 0.086 12.236 1.00 0.00 H new ATOM 1004 N CYS A 66 7.011 -5.027 14.158 1.00 0.00 N ATOM 1005 CA CYS A 66 7.084 -5.821 15.379 1.00 0.00 C ATOM 1006 C CYS A 66 6.923 -7.307 15.071 1.00 0.00 C ATOM 1007 O CYS A 66 6.590 -8.101 15.952 1.00 0.00 O ATOM 1008 CB CYS A 66 6.006 -5.374 16.368 1.00 0.00 C ATOM 1009 SG CYS A 66 4.302 -5.646 15.784 1.00 0.00 S ATOM 0 H CYS A 66 6.071 -4.930 13.774 1.00 0.00 H new ATOM 0 HA CYS A 66 8.065 -5.665 15.827 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.146 -5.908 17.308 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.141 -4.314 16.581 1.00 0.00 H new ATOM 0 HG CYS A 66 4.229 -5.371 14.516 1.00 0.00 H new ATOM 1014 N ARG A 67 7.162 -7.676 13.817 1.00 0.00 N ATOM 1015 CA ARG A 67 7.042 -9.066 13.393 1.00 0.00 C ATOM 1016 C ARG A 67 5.919 -9.770 14.148 1.00 0.00 C ATOM 1017 O ARG A 67 5.999 -10.966 14.426 1.00 0.00 O ATOM 1018 CB ARG A 67 8.363 -9.804 13.617 1.00 0.00 C ATOM 1019 CG ARG A 67 9.422 -9.489 12.572 1.00 0.00 C ATOM 1020 CD ARG A 67 10.270 -8.296 12.982 1.00 0.00 C ATOM 1021 NE ARG A 67 10.911 -8.499 14.278 1.00 0.00 N ATOM 1022 CZ ARG A 67 11.527 -7.534 14.953 1.00 0.00 C ATOM 1023 NH1 ARG A 67 11.584 -6.306 14.456 1.00 0.00 N ATOM 1024 NH2 ARG A 67 12.087 -7.797 16.127 1.00 0.00 N ATOM 0 H ARG A 67 7.440 -7.032 13.077 1.00 0.00 H new ATOM 0 HA ARG A 67 6.803 -9.077 12.330 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.750 -9.547 14.603 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.174 -10.877 13.618 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.062 -10.359 12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.941 -9.284 11.615 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.033 -8.116 12.225 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.645 -7.404 13.023 1.00 0.00 H new ATOM 0 HE ARG A 67 10.885 -9.433 14.688 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.155 -6.100 13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.057 -5.567 14.976 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.045 -8.741 16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.560 -7.056 16.644 1.00 0.00 H new ATOM 1038 N ALA A 68 4.873 -9.019 14.479 1.00 0.00 N ATOM 1039 CA ALA A 68 3.734 -9.571 15.200 1.00 0.00 C ATOM 1040 C ALA A 68 2.736 -10.213 14.242 1.00 0.00 C ATOM 1041 O ALA A 68 2.129 -9.532 13.415 1.00 0.00 O ATOM 1042 CB ALA A 68 3.055 -8.487 16.024 1.00 0.00 C ATOM 0 H ALA A 68 4.792 -8.026 14.259 1.00 0.00 H new ATOM 0 HA ALA A 68 4.102 -10.346 15.872 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.206 -8.914 16.557 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.765 -8.077 16.742 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.707 -7.693 15.364 1.00 0.00 H new ATOM 1048 N ASP A 69 2.572 -11.526 14.358 1.00 0.00 N ATOM 1049 CA ASP A 69 1.647 -12.259 13.502 1.00 0.00 C ATOM 1050 C ASP A 69 0.386 -11.442 13.238 1.00 0.00 C ATOM 1051 O ASP A 69 -0.298 -11.020 14.170 1.00 0.00 O ATOM 1052 CB ASP A 69 1.277 -13.598 14.143 1.00 0.00 C ATOM 1053 CG ASP A 69 0.658 -14.563 13.152 1.00 0.00 C ATOM 1054 OD1 ASP A 69 1.278 -14.808 12.096 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -0.445 -15.076 13.433 1.00 0.00 O ATOM 0 H ASP A 69 3.068 -12.104 15.036 1.00 0.00 H new ATOM 0 HA ASP A 69 2.143 -12.445 12.550 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.170 -14.049 14.576 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.579 -13.425 14.962 1.00 0.00 H new ATOM 1060 N SER A 70 0.086 -11.222 11.962 1.00 0.00 N ATOM 1061 CA SER A 70 -1.089 -10.450 11.575 1.00 0.00 C ATOM 1062 C SER A 70 -2.333 -11.333 11.548 1.00 0.00 C ATOM 1063 O SER A 70 -3.391 -10.951 12.048 1.00 0.00 O ATOM 1064 CB SER A 70 -0.876 -9.809 10.203 1.00 0.00 C ATOM 1065 OG SER A 70 -0.547 -10.784 9.229 1.00 0.00 O ATOM 0 H SER A 70 0.640 -11.567 11.179 1.00 0.00 H new ATOM 0 HA SER A 70 -1.237 -9.664 12.316 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.780 -9.280 9.901 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.079 -9.068 10.264 1.00 0.00 H new ATOM 0 HG SER A 70 -0.418 -10.348 8.361 1.00 0.00 H new