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 102:sc= -0.858 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.127 K(o=-5.7,f=-6.7) USER MOD Set 1.3: A 63 CYS SG : rot 10:sc= -1.45 USER MOD Set 1.4: A 66 CYS SG : rot -40:sc= -3.28! USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= -0.333 USER MOD Set 2.2: A 29 CYS SG : rot -52:sc= -0.535 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -2.42 X(o=-4.7,f=-4.3) USER MOD Set 2.4: A 52 CYS SG : rot 171:sc= -1.36 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -30:sc= 0.433 USER MOD Single : A 30 MET CE :methyl 166:sc= -9.58! (180deg=-10.6!) USER MOD Single : A 31 CYS SG : rot 71:sc= 0.89 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 45 ASN : amide:sc= -1.49! X(o=-1.5!,f=-1.7) 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= 0.87 K(o=0.87,f=-0.12) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -61:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.860 3.534 6.131 1.00 0.00 N ATOM 128 CA TYR A 12 -9.980 4.927 6.546 1.00 0.00 C ATOM 129 C TYR A 12 -8.959 5.801 5.824 1.00 0.00 C ATOM 130 O TYR A 12 -7.835 5.372 5.560 1.00 0.00 O ATOM 131 CB TYR A 12 -9.792 5.048 8.059 1.00 0.00 C ATOM 132 CG TYR A 12 -8.344 5.147 8.484 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.465 4.091 8.277 1.00 0.00 C ATOM 134 CD2 TYR A 12 -7.855 6.298 9.090 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.142 4.178 8.664 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.533 6.394 9.479 1.00 0.00 C ATOM 137 CZ TYR A 12 -5.680 5.331 9.264 1.00 0.00 C ATOM 138 OH TYR A 12 -4.362 5.421 9.650 1.00 0.00 O ATOM 0 HA TYR A 12 -10.979 5.273 6.282 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.327 5.929 8.414 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.246 4.183 8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.822 3.187 7.806 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.520 7.132 9.260 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.472 3.347 8.498 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.169 7.296 9.949 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.199 6.298 10.055 1.00 0.00 H new ATOM 148 N ARG A 13 -9.358 7.028 5.508 1.00 0.00 N ATOM 149 CA ARG A 13 -8.479 7.963 4.817 1.00 0.00 C ATOM 150 C ARG A 13 -7.685 8.803 5.814 1.00 0.00 C ATOM 151 O ARG A 13 -8.260 9.500 6.650 1.00 0.00 O ATOM 152 CB ARG A 13 -9.293 8.877 3.898 1.00 0.00 C ATOM 153 CG ARG A 13 -9.885 8.161 2.696 1.00 0.00 C ATOM 154 CD ARG A 13 -10.489 9.142 1.704 1.00 0.00 C ATOM 155 NE ARG A 13 -10.830 8.501 0.437 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.043 8.041 0.149 1.00 0.00 C ATOM 157 NH1 ARG A 13 -13.025 8.152 1.033 1.00 0.00 N ATOM 158 NH2 ARG A 13 -12.275 7.470 -1.025 1.00 0.00 N ATOM 0 H ARG A 13 -10.285 7.398 5.720 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.777 7.385 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.100 9.331 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.655 9.689 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.110 7.574 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.651 7.461 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.384 9.589 2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.784 9.953 1.521 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.097 8.401 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.850 8.591 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.955 7.798 0.809 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.522 7.384 -1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.206 7.117 -1.245 1.00 0.00 H new ATOM 172 N PHE A 14 -6.362 8.730 5.719 1.00 0.00 N ATOM 173 CA PHE A 14 -5.489 9.482 6.613 1.00 0.00 C ATOM 174 C PHE A 14 -5.941 10.936 6.719 1.00 0.00 C ATOM 175 O PHE A 14 -6.329 11.550 5.726 1.00 0.00 O ATOM 176 CB PHE A 14 -4.042 9.420 6.119 1.00 0.00 C ATOM 177 CG PHE A 14 -3.097 10.267 6.924 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.028 11.635 6.720 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.279 9.693 7.883 1.00 0.00 C ATOM 180 CE1 PHE A 14 -2.160 12.417 7.459 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.409 10.470 8.625 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.349 11.833 8.412 1.00 0.00 C ATOM 0 H PHE A 14 -5.871 8.158 5.032 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.547 9.029 7.603 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.702 8.385 6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.008 9.741 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.660 12.096 5.975 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.321 8.627 8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.116 13.483 7.291 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.777 10.011 9.371 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.669 12.441 8.990 1.00 0.00 H new ATOM 326 N THR A 24 2.834 7.916 12.845 1.00 0.00 N ATOM 327 CA THR A 24 2.304 7.233 11.672 1.00 0.00 C ATOM 328 C THR A 24 3.324 7.215 10.539 1.00 0.00 C ATOM 329 O THR A 24 3.509 8.212 9.840 1.00 0.00 O ATOM 330 CB THR A 24 1.009 7.899 11.171 1.00 0.00 C ATOM 331 OG1 THR A 24 0.522 7.214 10.012 1.00 0.00 O ATOM 332 CG2 THR A 24 1.248 9.364 10.837 1.00 0.00 C ATOM 0 HA THR A 24 2.083 6.210 11.975 1.00 0.00 H new ATOM 0 HB THR A 24 0.266 7.840 11.966 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.276 6.825 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.319 9.813 10.485 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.590 9.889 11.729 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.006 9.440 10.057 1.00 0.00 H new ATOM 340 N LEU A 25 3.984 6.075 10.362 1.00 0.00 N ATOM 341 CA LEU A 25 4.986 5.927 9.312 1.00 0.00 C ATOM 342 C LEU A 25 4.922 4.535 8.691 1.00 0.00 C ATOM 343 O LEU A 25 4.504 3.574 9.338 1.00 0.00 O ATOM 344 CB LEU A 25 6.384 6.183 9.875 1.00 0.00 C ATOM 345 CG LEU A 25 7.535 6.114 8.871 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.667 7.038 9.291 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.036 4.683 8.731 1.00 0.00 C ATOM 0 H LEU A 25 3.843 5.241 10.932 1.00 0.00 H new ATOM 0 HA LEU A 25 4.774 6.661 8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.392 7.169 10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.574 5.457 10.666 1.00 0.00 H new ATOM 0 HG LEU A 25 7.165 6.445 7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.477 6.975 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.301 8.064 9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.036 6.739 10.272 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.855 4.653 8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.388 4.325 9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.224 4.046 8.382 1.00 0.00 H new ATOM 359 N CYS A 26 5.340 4.434 7.434 1.00 0.00 N ATOM 360 CA CYS A 26 5.333 3.160 6.726 1.00 0.00 C ATOM 361 C CYS A 26 6.716 2.516 6.750 1.00 0.00 C ATOM 362 O CYS A 26 7.620 2.932 6.026 1.00 0.00 O ATOM 363 CB CYS A 26 4.877 3.360 5.279 1.00 0.00 C ATOM 364 SG CYS A 26 4.621 1.808 4.359 1.00 0.00 S ATOM 0 H CYS A 26 5.688 5.220 6.885 1.00 0.00 H new ATOM 0 HA CYS A 26 4.633 2.495 7.233 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.947 3.928 5.278 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.619 3.962 4.755 1.00 0.00 H new ATOM 0 HG CYS A 26 3.710 1.096 4.953 1.00 0.00 H new ATOM 369 N VAL A 27 6.874 1.497 7.589 1.00 0.00 N ATOM 370 CA VAL A 27 8.146 0.794 7.708 1.00 0.00 C ATOM 371 C VAL A 27 8.548 0.158 6.382 1.00 0.00 C ATOM 372 O VAL A 27 9.732 -0.049 6.114 1.00 0.00 O ATOM 373 CB VAL A 27 8.083 -0.300 8.790 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.613 -1.617 8.193 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.439 -0.463 9.461 1.00 0.00 C ATOM 0 H VAL A 27 6.137 1.140 8.197 1.00 0.00 H new ATOM 0 HA VAL A 27 8.892 1.535 7.994 1.00 0.00 H new ATOM 0 HB VAL A 27 7.361 0.005 9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.575 -2.377 8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.619 -1.488 7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.307 -1.931 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.377 -1.240 10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.182 -0.745 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.730 0.479 9.926 1.00 0.00 H new ATOM 385 N VAL A 28 7.555 -0.148 5.553 1.00 0.00 N ATOM 386 CA VAL A 28 7.805 -0.759 4.253 1.00 0.00 C ATOM 387 C VAL A 28 8.636 0.161 3.365 1.00 0.00 C ATOM 388 O VAL A 28 9.783 -0.146 3.036 1.00 0.00 O ATOM 389 CB VAL A 28 6.488 -1.100 3.530 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.766 -1.874 2.251 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.565 -1.885 4.449 1.00 0.00 C ATOM 0 H VAL A 28 6.570 0.017 5.759 1.00 0.00 H new ATOM 0 HA VAL A 28 8.358 -1.680 4.437 1.00 0.00 H new ATOM 0 HB VAL A 28 5.989 -0.169 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.824 -2.106 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.387 -1.271 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.287 -2.801 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.639 -2.118 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.054 -2.811 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.339 -1.289 5.333 1.00 0.00 H new ATOM 401 N CYS A 29 8.051 1.290 2.980 1.00 0.00 N ATOM 402 CA CYS A 29 8.736 2.256 2.130 1.00 0.00 C ATOM 403 C CYS A 29 9.348 3.378 2.964 1.00 0.00 C ATOM 404 O CYS A 29 9.714 4.428 2.437 1.00 0.00 O ATOM 405 CB CYS A 29 7.766 2.841 1.102 1.00 0.00 C ATOM 406 SG CYS A 29 6.376 3.764 1.833 1.00 0.00 S ATOM 0 H CYS A 29 7.103 1.559 3.244 1.00 0.00 H new ATOM 0 HA CYS A 29 9.539 1.736 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.317 3.503 0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.369 2.031 0.491 1.00 0.00 H new ATOM 0 HG CYS A 29 5.785 3.024 2.724 1.00 0.00 H new ATOM 411 N MET A 30 9.455 3.146 4.268 1.00 0.00 N ATOM 412 CA MET A 30 10.023 4.137 5.176 1.00 0.00 C ATOM 413 C MET A 30 9.636 5.549 4.750 1.00 0.00 C ATOM 414 O MET A 30 10.494 6.421 4.605 1.00 0.00 O ATOM 415 CB MET A 30 11.547 4.004 5.220 1.00 0.00 C ATOM 416 CG MET A 30 12.030 2.823 6.046 1.00 0.00 C ATOM 417 SD MET A 30 12.364 3.267 7.762 1.00 0.00 S ATOM 418 CE MET A 30 10.775 3.929 8.256 1.00 0.00 C ATOM 0 H MET A 30 9.156 2.282 4.720 1.00 0.00 H new ATOM 0 HA MET A 30 9.620 3.954 6.172 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.924 3.904 4.202 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.972 4.921 5.629 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.279 2.034 6.018 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.936 2.417 5.597 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.739 4.016 9.342 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.636 4.913 7.808 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.982 3.262 7.919 1.00 0.00 H new ATOM 428 N CYS A 31 8.341 5.768 4.550 1.00 0.00 N ATOM 429 CA CYS A 31 7.842 7.076 4.139 1.00 0.00 C ATOM 430 C CYS A 31 6.529 7.402 4.845 1.00 0.00 C ATOM 431 O CYS A 31 5.760 6.506 5.192 1.00 0.00 O ATOM 432 CB CYS A 31 7.643 7.116 2.623 1.00 0.00 C ATOM 433 SG CYS A 31 9.179 7.266 1.682 1.00 0.00 S ATOM 0 H CYS A 31 7.618 5.058 4.666 1.00 0.00 H new ATOM 0 HA CYS A 31 8.582 7.825 4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.125 6.209 2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.993 7.955 2.374 1.00 0.00 H new ATOM 0 HG CYS A 31 9.840 6.148 1.749 1.00 0.00 H new ATOM 439 N ASP A 32 6.281 8.690 5.055 1.00 0.00 N ATOM 440 CA ASP A 32 5.062 9.136 5.720 1.00 0.00 C ATOM 441 C ASP A 32 3.863 9.029 4.784 1.00 0.00 C ATOM 442 O ASP A 32 3.963 9.323 3.593 1.00 0.00 O ATOM 443 CB ASP A 32 5.219 10.577 6.206 1.00 0.00 C ATOM 444 CG ASP A 32 3.925 11.148 6.753 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.086 10.359 7.234 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.751 12.384 6.698 1.00 0.00 O ATOM 0 H ASP A 32 6.908 9.444 4.774 1.00 0.00 H new ATOM 0 HA ASP A 32 4.888 8.488 6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.985 10.615 6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.568 11.199 5.382 1.00 0.00 H new ATOM 451 N PHE A 33 2.728 8.605 5.331 1.00 0.00 N ATOM 452 CA PHE A 33 1.509 8.457 4.545 1.00 0.00 C ATOM 453 C PHE A 33 0.940 9.820 4.161 1.00 0.00 C ATOM 454 O PHE A 33 0.770 10.694 5.010 1.00 0.00 O ATOM 455 CB PHE A 33 0.465 7.659 5.328 1.00 0.00 C ATOM 456 CG PHE A 33 1.037 6.475 6.055 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.222 5.268 5.402 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.389 6.570 7.392 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.748 4.177 6.067 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.916 5.483 8.063 1.00 0.00 C ATOM 461 CZ PHE A 33 2.095 4.284 7.400 1.00 0.00 C ATOM 0 H PHE A 33 2.627 8.358 6.316 1.00 0.00 H new ATOM 0 HA PHE A 33 1.759 7.917 3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.019 8.318 6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.308 7.315 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.952 5.178 4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.250 7.504 7.916 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.888 3.242 5.545 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.188 5.571 9.105 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.505 3.432 7.923 1.00 0.00 H new ATOM 471 N GLU A 34 0.651 9.993 2.875 1.00 0.00 N ATOM 472 CA GLU A 34 0.103 11.250 2.378 1.00 0.00 C ATOM 473 C GLU A 34 -1.390 11.349 2.678 1.00 0.00 C ATOM 474 O GLU A 34 -2.080 10.336 2.790 1.00 0.00 O ATOM 475 CB GLU A 34 0.341 11.376 0.872 1.00 0.00 C ATOM 476 CG GLU A 34 -0.031 12.737 0.309 1.00 0.00 C ATOM 477 CD GLU A 34 0.989 13.808 0.648 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.605 13.717 1.731 1.00 0.00 O ATOM 479 OE2 GLU A 34 1.170 14.735 -0.168 1.00 0.00 O ATOM 0 H GLU A 34 0.787 9.279 2.159 1.00 0.00 H new ATOM 0 HA GLU A 34 0.614 12.066 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.392 11.180 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.236 10.609 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.129 12.664 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.005 13.033 0.698 1.00 0.00 H new ATOM 486 N SER A 35 -1.881 12.578 2.809 1.00 0.00 N ATOM 487 CA SER A 35 -3.291 12.810 3.100 1.00 0.00 C ATOM 488 C SER A 35 -4.169 12.339 1.946 1.00 0.00 C ATOM 489 O SER A 35 -3.745 12.335 0.790 1.00 0.00 O ATOM 490 CB SER A 35 -3.539 14.295 3.372 1.00 0.00 C ATOM 491 OG SER A 35 -3.501 15.047 2.171 1.00 0.00 O ATOM 0 H SER A 35 -1.323 13.427 2.718 1.00 0.00 H new ATOM 0 HA SER A 35 -3.552 12.236 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.508 14.423 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.786 14.672 4.065 1.00 0.00 H new ATOM 0 HG SER A 35 -3.664 15.992 2.372 1.00 0.00 H new ATOM 497 N ARG A 36 -5.396 11.943 2.267 1.00 0.00 N ATOM 498 CA ARG A 36 -6.335 11.468 1.258 1.00 0.00 C ATOM 499 C ARG A 36 -5.791 10.233 0.547 1.00 0.00 C ATOM 500 O ARG A 36 -5.688 10.206 -0.679 1.00 0.00 O ATOM 501 CB ARG A 36 -6.622 12.572 0.238 1.00 0.00 C ATOM 502 CG ARG A 36 -7.715 13.533 0.672 1.00 0.00 C ATOM 503 CD ARG A 36 -7.994 14.579 -0.396 1.00 0.00 C ATOM 504 NE ARG A 36 -8.719 15.729 0.139 1.00 0.00 N ATOM 505 CZ ARG A 36 -9.440 16.556 -0.609 1.00 0.00 C ATOM 506 NH1 ARG A 36 -9.531 16.363 -1.917 1.00 0.00 N ATOM 507 NH2 ARG A 36 -10.071 17.580 -0.049 1.00 0.00 N ATOM 0 H ARG A 36 -5.763 11.942 3.219 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.263 11.197 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.706 13.135 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.907 12.114 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.628 12.976 0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.420 14.027 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.052 14.914 -0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.573 14.128 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.669 15.906 1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.047 15.578 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.086 17.000 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.003 17.733 0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.624 18.215 -0.625 1.00 0.00 H new ATOM 521 N GLN A 37 -5.444 9.213 1.326 1.00 0.00 N ATOM 522 CA GLN A 37 -4.909 7.975 0.770 1.00 0.00 C ATOM 523 C GLN A 37 -5.360 6.771 1.590 1.00 0.00 C ATOM 524 O GLN A 37 -5.358 6.809 2.821 1.00 0.00 O ATOM 525 CB GLN A 37 -3.381 8.032 0.722 1.00 0.00 C ATOM 526 CG GLN A 37 -2.841 9.146 -0.159 1.00 0.00 C ATOM 527 CD GLN A 37 -2.613 8.701 -1.590 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.548 8.298 -2.283 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.366 8.772 -2.041 1.00 0.00 N ATOM 0 H GLN A 37 -5.524 9.219 2.343 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.293 7.865 -0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.999 8.163 1.734 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.001 7.077 0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.540 9.982 -0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.902 9.511 0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.622 9.112 -1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.152 8.486 -2.997 1.00 0.00 H new ATOM 538 N LEU A 38 -5.746 5.703 0.900 1.00 0.00 N ATOM 539 CA LEU A 38 -6.200 4.487 1.565 1.00 0.00 C ATOM 540 C LEU A 38 -5.040 3.778 2.256 1.00 0.00 C ATOM 541 O LEU A 38 -4.096 3.327 1.605 1.00 0.00 O ATOM 542 CB LEU A 38 -6.858 3.545 0.554 1.00 0.00 C ATOM 543 CG LEU A 38 -7.955 2.633 1.102 1.00 0.00 C ATOM 544 CD1 LEU A 38 -9.276 3.381 1.193 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.102 1.392 0.233 1.00 0.00 C ATOM 0 H LEU A 38 -5.754 5.655 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.932 4.768 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.281 4.146 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.082 2.921 0.111 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.670 2.318 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.045 2.715 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.164 4.238 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.567 3.727 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.888 0.755 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.363 1.688 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.160 0.843 0.220 1.00 0.00 H new ATOM 557 N LEU A 39 -5.116 3.681 3.579 1.00 0.00 N ATOM 558 CA LEU A 39 -4.073 3.025 4.360 1.00 0.00 C ATOM 559 C LEU A 39 -4.639 1.844 5.141 1.00 0.00 C ATOM 560 O LEU A 39 -5.848 1.751 5.356 1.00 0.00 O ATOM 561 CB LEU A 39 -3.424 4.023 5.321 1.00 0.00 C ATOM 562 CG LEU A 39 -2.997 5.359 4.713 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.452 6.285 5.790 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.961 5.141 3.620 1.00 0.00 C ATOM 0 H LEU A 39 -5.889 4.048 4.133 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.317 2.651 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.124 4.223 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.547 3.552 5.765 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.873 5.830 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.153 7.231 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.224 6.467 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.588 5.821 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.669 6.103 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.085 4.649 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.386 4.515 2.835 1.00 0.00 H new ATOM 576 N ARG A 40 -3.758 0.944 5.565 1.00 0.00 N ATOM 577 CA ARG A 40 -4.170 -0.231 6.323 1.00 0.00 C ATOM 578 C ARG A 40 -3.383 -0.340 7.626 1.00 0.00 C ATOM 579 O ARG A 40 -2.154 -0.406 7.618 1.00 0.00 O ATOM 580 CB ARG A 40 -3.974 -1.498 5.489 1.00 0.00 C ATOM 581 CG ARG A 40 -5.022 -1.680 4.403 1.00 0.00 C ATOM 582 CD ARG A 40 -6.363 -2.095 4.988 1.00 0.00 C ATOM 583 NE ARG A 40 -7.389 -2.238 3.958 1.00 0.00 N ATOM 584 CZ ARG A 40 -7.535 -3.327 3.213 1.00 0.00 C ATOM 585 NH1 ARG A 40 -6.727 -4.364 3.382 1.00 0.00 N ATOM 586 NH2 ARG A 40 -8.493 -3.381 2.296 1.00 0.00 N ATOM 0 H ARG A 40 -2.754 1.006 5.396 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.228 -0.124 6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.987 -1.471 5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.993 -2.365 6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.138 -0.749 3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.684 -2.435 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.250 -3.039 5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.684 -1.354 5.719 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.028 -1.458 3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.990 -4.327 4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.842 -5.199 2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.117 -2.585 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.605 -4.218 1.724 1.00 0.00 H new ATOM 600 N VAL A 41 -4.101 -0.359 8.745 1.00 0.00 N ATOM 601 CA VAL A 41 -3.470 -0.461 10.056 1.00 0.00 C ATOM 602 C VAL A 41 -3.459 -1.904 10.549 1.00 0.00 C ATOM 603 O VAL A 41 -4.512 -2.518 10.730 1.00 0.00 O ATOM 604 CB VAL A 41 -4.189 0.420 11.094 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.485 0.341 12.441 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.268 1.859 10.608 1.00 0.00 C ATOM 0 H VAL A 41 -5.119 -0.305 8.770 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.444 -0.111 9.943 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.205 0.047 11.220 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.007 0.970 13.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.486 -0.691 12.792 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.457 0.687 12.335 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.779 2.467 11.354 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.261 2.246 10.452 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.820 1.896 9.669 1.00 0.00 H new ATOM 616 N LEU A 42 -2.263 -2.440 10.767 1.00 0.00 N ATOM 617 CA LEU A 42 -2.114 -3.811 11.241 1.00 0.00 C ATOM 618 C LEU A 42 -2.791 -3.996 12.595 1.00 0.00 C ATOM 619 O LEU A 42 -3.003 -3.043 13.346 1.00 0.00 O ATOM 620 CB LEU A 42 -0.633 -4.178 11.345 1.00 0.00 C ATOM 621 CG LEU A 42 0.074 -4.495 10.026 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.528 -4.862 10.275 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.644 -5.618 9.293 1.00 0.00 C ATOM 0 H LEU A 42 -1.382 -1.946 10.623 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.596 -4.472 10.521 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.108 -3.353 11.827 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.539 -5.043 12.002 1.00 0.00 H new ATOM 0 HG LEU A 42 0.048 -3.604 9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.015 -5.084 9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.037 -4.027 10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.577 -5.738 10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.127 -5.830 8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.650 -6.513 9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.670 -5.317 9.081 1.00 0.00 H new ATOM 635 N PRO A 43 -3.138 -5.251 12.918 1.00 0.00 N ATOM 636 CA PRO A 43 -3.794 -5.590 14.184 1.00 0.00 C ATOM 637 C PRO A 43 -2.860 -5.437 15.380 1.00 0.00 C ATOM 638 O PRO A 43 -3.229 -5.746 16.513 1.00 0.00 O ATOM 639 CB PRO A 43 -4.187 -7.058 13.998 1.00 0.00 C ATOM 640 CG PRO A 43 -3.222 -7.584 12.992 1.00 0.00 C ATOM 641 CD PRO A 43 -2.916 -6.435 12.071 1.00 0.00 C ATOM 0 HA PRO A 43 -4.637 -4.932 14.395 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.119 -7.608 14.937 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.215 -7.151 13.647 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.316 -7.949 13.475 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.650 -8.422 12.442 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.892 -6.478 11.701 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.570 -6.434 11.199 1.00 0.00 H new ATOM 649 N CYS A 44 -1.648 -4.956 15.121 1.00 0.00 N ATOM 650 CA CYS A 44 -0.661 -4.761 16.175 1.00 0.00 C ATOM 651 C CYS A 44 -0.504 -3.280 16.507 1.00 0.00 C ATOM 652 O CYS A 44 0.434 -2.883 17.196 1.00 0.00 O ATOM 653 CB CYS A 44 0.689 -5.346 15.753 1.00 0.00 C ATOM 654 SG CYS A 44 1.148 -4.987 14.027 1.00 0.00 S ATOM 0 H CYS A 44 -1.327 -4.694 14.189 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.012 -5.280 17.067 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.464 -4.956 16.413 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.665 -6.427 15.894 1.00 0.00 H new ATOM 0 HG CYS A 44 2.027 -4.030 14.002 1.00 0.00 H new ATOM 659 N ASN A 45 -1.432 -2.467 16.011 1.00 0.00 N ATOM 660 CA ASN A 45 -1.398 -1.030 16.254 1.00 0.00 C ATOM 661 C ASN A 45 -0.303 -0.364 15.426 1.00 0.00 C ATOM 662 O ASN A 45 0.459 0.460 15.932 1.00 0.00 O ATOM 663 CB ASN A 45 -1.170 -0.748 17.741 1.00 0.00 C ATOM 664 CG ASN A 45 -1.970 -1.676 18.634 1.00 0.00 C ATOM 665 OD1 ASN A 45 -3.152 -1.445 18.888 1.00 0.00 O ATOM 666 ND2 ASN A 45 -1.326 -2.733 19.117 1.00 0.00 N ATOM 0 H ASN A 45 -2.216 -2.779 15.439 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.360 -0.614 15.955 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.109 -0.853 17.970 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.442 0.285 17.958 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.812 -3.392 19.725 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.346 -2.885 18.880 1.00 0.00 H new ATOM 673 N HIS A 46 -0.232 -0.726 14.149 1.00 0.00 N ATOM 674 CA HIS A 46 0.768 -0.163 13.248 1.00 0.00 C ATOM 675 C HIS A 46 0.125 0.306 11.947 1.00 0.00 C ATOM 676 O HIS A 46 -0.773 -0.348 11.417 1.00 0.00 O ATOM 677 CB HIS A 46 1.855 -1.196 12.950 1.00 0.00 C ATOM 678 CG HIS A 46 2.921 -1.264 14.000 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.553 -2.436 14.356 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.467 -0.294 14.771 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.441 -2.185 15.302 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.408 -0.893 15.572 1.00 0.00 N ATOM 0 H HIS A 46 -0.855 -1.407 13.715 1.00 0.00 H new ATOM 0 HA HIS A 46 1.220 0.698 13.740 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.393 -2.178 12.849 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.316 -0.960 11.991 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.210 0.755 14.758 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.084 -2.913 15.774 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.987 -0.417 16.263 1.00 0.00 H new ATOM 690 N GLU A 47 0.590 1.442 11.439 1.00 0.00 N ATOM 691 CA GLU A 47 0.058 1.999 10.200 1.00 0.00 C ATOM 692 C GLU A 47 0.884 1.544 9.000 1.00 0.00 C ATOM 693 O GLU A 47 2.107 1.428 9.082 1.00 0.00 O ATOM 694 CB GLU A 47 0.039 3.527 10.269 1.00 0.00 C ATOM 695 CG GLU A 47 -0.760 4.074 11.440 1.00 0.00 C ATOM 696 CD GLU A 47 -0.188 3.658 12.781 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.968 4.030 13.073 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.895 2.960 13.538 1.00 0.00 O ATOM 0 H GLU A 47 1.334 1.995 11.865 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.962 1.635 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.064 3.892 10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.378 3.919 9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.785 5.162 11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.791 3.727 11.365 1.00 0.00 H new ATOM 705 N PHE A 48 0.206 1.285 7.887 1.00 0.00 N ATOM 706 CA PHE A 48 0.876 0.841 6.670 1.00 0.00 C ATOM 707 C PHE A 48 0.113 1.301 5.431 1.00 0.00 C ATOM 708 O PHE A 48 -1.039 1.727 5.519 1.00 0.00 O ATOM 709 CB PHE A 48 1.009 -0.683 6.664 1.00 0.00 C ATOM 710 CG PHE A 48 1.856 -1.215 7.785 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.235 -1.274 7.661 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.273 -1.656 8.962 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.017 -1.763 8.691 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.050 -2.146 9.995 1.00 0.00 C ATOM 715 CZ PHE A 48 3.423 -2.200 9.859 1.00 0.00 C ATOM 0 H PHE A 48 -0.807 1.375 7.802 1.00 0.00 H new ATOM 0 HA PHE A 48 1.871 1.286 6.649 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.015 -1.127 6.728 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.439 -0.999 5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.704 -0.934 6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.200 -1.616 9.074 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.091 -1.803 8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.584 -2.486 10.908 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.032 -2.583 10.665 1.00 0.00 H new ATOM 725 N HIS A 49 0.764 1.211 4.275 1.00 0.00 N ATOM 726 CA HIS A 49 0.148 1.617 3.017 1.00 0.00 C ATOM 727 C HIS A 49 -0.688 0.484 2.431 1.00 0.00 C ATOM 728 O HIS A 49 -0.233 -0.656 2.344 1.00 0.00 O ATOM 729 CB HIS A 49 1.221 2.046 2.015 1.00 0.00 C ATOM 730 CG HIS A 49 1.566 3.501 2.094 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.860 3.962 2.219 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.778 4.601 2.063 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.852 5.282 2.264 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.601 5.695 2.170 1.00 0.00 N ATOM 0 H HIS A 49 1.718 0.861 4.184 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.509 2.463 3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.122 1.457 2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.877 1.817 1.006 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.693 3.375 2.269 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.298 4.616 1.971 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.721 5.916 2.361 1.00 0.00 H new ATOM 742 N ALA A 50 -1.914 0.806 2.031 1.00 0.00 N ATOM 743 CA ALA A 50 -2.814 -0.184 1.452 1.00 0.00 C ATOM 744 C ALA A 50 -2.120 -0.978 0.350 1.00 0.00 C ATOM 745 O ALA A 50 -2.479 -2.123 0.075 1.00 0.00 O ATOM 746 CB ALA A 50 -4.065 0.491 0.912 1.00 0.00 C ATOM 0 H ALA A 50 -2.307 1.745 2.097 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.103 -0.881 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.728 -0.261 0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.579 1.007 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.787 1.211 0.143 1.00 0.00 H new ATOM 752 N LYS A 51 -1.126 -0.361 -0.280 1.00 0.00 N ATOM 753 CA LYS A 51 -0.381 -1.010 -1.353 1.00 0.00 C ATOM 754 C LYS A 51 0.825 -1.763 -0.800 1.00 0.00 C ATOM 755 O LYS A 51 0.995 -2.955 -1.056 1.00 0.00 O ATOM 756 CB LYS A 51 0.079 0.027 -2.381 1.00 0.00 C ATOM 757 CG LYS A 51 0.965 1.113 -1.794 1.00 0.00 C ATOM 758 CD LYS A 51 1.187 2.245 -2.783 1.00 0.00 C ATOM 759 CE LYS A 51 1.495 3.554 -2.072 1.00 0.00 C ATOM 760 NZ LYS A 51 0.255 4.286 -1.693 1.00 0.00 N ATOM 0 H LYS A 51 -0.818 0.587 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.043 -1.727 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.621 -0.480 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.797 0.490 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.508 1.506 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.926 0.685 -1.507 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.010 1.990 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.299 2.367 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.084 3.351 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.105 4.184 -2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.508 5.172 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.296 4.502 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.315 3.696 -1.054 1.00 0.00 H new ATOM 774 N CYS A 52 1.658 -1.060 -0.040 1.00 0.00 N ATOM 775 CA CYS A 52 2.847 -1.662 0.550 1.00 0.00 C ATOM 776 C CYS A 52 2.498 -2.956 1.279 1.00 0.00 C ATOM 777 O CYS A 52 2.826 -4.050 0.817 1.00 0.00 O ATOM 778 CB CYS A 52 3.513 -0.683 1.518 1.00 0.00 C ATOM 779 SG CYS A 52 4.150 0.829 0.726 1.00 0.00 S ATOM 0 H CYS A 52 1.531 -0.072 0.182 1.00 0.00 H new ATOM 0 HA CYS A 52 3.542 -1.896 -0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.793 -0.402 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.335 -1.190 2.022 1.00 0.00 H new ATOM 0 HG CYS A 52 4.523 1.674 1.641 1.00 0.00 H new ATOM 784 N VAL A 53 1.829 -2.824 2.420 1.00 0.00 N ATOM 785 CA VAL A 53 1.433 -3.982 3.212 1.00 0.00 C ATOM 786 C VAL A 53 0.919 -5.108 2.321 1.00 0.00 C ATOM 787 O VAL A 53 1.268 -6.273 2.512 1.00 0.00 O ATOM 788 CB VAL A 53 0.343 -3.615 4.237 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.001 -3.436 3.546 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.256 -4.675 5.324 1.00 0.00 C ATOM 0 H VAL A 53 1.550 -1.927 2.816 1.00 0.00 H new ATOM 0 HA VAL A 53 2.322 -4.321 3.744 1.00 0.00 H new ATOM 0 HB VAL A 53 0.613 -2.668 4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.759 -3.177 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.927 -2.638 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.281 -4.365 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.519 -4.400 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.010 -5.637 4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.214 -4.749 5.838 1.00 0.00 H new ATOM 800 N ASP A 54 0.088 -4.752 1.348 1.00 0.00 N ATOM 801 CA ASP A 54 -0.473 -5.732 0.425 1.00 0.00 C ATOM 802 C ASP A 54 0.628 -6.579 -0.204 1.00 0.00 C ATOM 803 O ASP A 54 0.530 -7.806 -0.256 1.00 0.00 O ATOM 804 CB ASP A 54 -1.282 -5.031 -0.668 1.00 0.00 C ATOM 805 CG ASP A 54 -2.261 -5.964 -1.352 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.168 -6.479 -0.665 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.121 -6.179 -2.574 1.00 0.00 O ATOM 0 H ASP A 54 -0.212 -3.792 1.178 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.134 -6.389 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.827 -4.194 -0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.601 -4.616 -1.411 1.00 0.00 H new ATOM 812 N LYS A 55 1.676 -5.918 -0.682 1.00 0.00 N ATOM 813 CA LYS A 55 2.797 -6.609 -1.308 1.00 0.00 C ATOM 814 C LYS A 55 3.597 -7.396 -0.275 1.00 0.00 C ATOM 815 O LYS A 55 3.862 -8.584 -0.457 1.00 0.00 O ATOM 816 CB LYS A 55 3.710 -5.605 -2.018 1.00 0.00 C ATOM 817 CG LYS A 55 4.646 -6.244 -3.029 1.00 0.00 C ATOM 818 CD LYS A 55 5.739 -5.281 -3.462 1.00 0.00 C ATOM 819 CE LYS A 55 6.239 -5.600 -4.863 1.00 0.00 C ATOM 820 NZ LYS A 55 6.714 -4.380 -5.573 1.00 0.00 N ATOM 0 H LYS A 55 1.773 -4.903 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 55 2.396 -7.309 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.094 -4.862 -2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.302 -5.074 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.097 -7.137 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.077 -6.566 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.358 -4.260 -3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.570 -5.331 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.051 -6.325 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.438 -6.066 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.047 -4.639 -6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.932 -3.699 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.495 -3.949 -5.038 1.00 0.00 H new ATOM 834 N TRP A 56 3.975 -6.728 0.808 1.00 0.00 N ATOM 835 CA TRP A 56 4.743 -7.367 1.871 1.00 0.00 C ATOM 836 C TRP A 56 4.057 -8.644 2.345 1.00 0.00 C ATOM 837 O TRP A 56 4.632 -9.731 2.276 1.00 0.00 O ATOM 838 CB TRP A 56 4.924 -6.405 3.046 1.00 0.00 C ATOM 839 CG TRP A 56 5.549 -7.047 4.248 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.899 -7.548 5.340 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.946 -7.253 4.481 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.808 -8.054 6.237 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.071 -7.887 5.733 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.104 -6.967 3.752 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.307 -8.236 6.270 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.330 -7.315 4.287 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.424 -7.944 5.536 1.00 0.00 C ATOM 0 H TRP A 56 3.763 -5.744 0.974 1.00 0.00 H new ATOM 0 HA TRP A 56 5.722 -7.629 1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.543 -5.566 2.728 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.953 -5.996 3.325 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.828 -7.546 5.478 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.580 -8.484 7.133 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.042 -6.483 2.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.382 -8.720 7.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.231 -7.098 3.733 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.397 -8.203 5.927 1.00 0.00 H new ATOM 858 N LEU A 57 2.827 -8.506 2.826 1.00 0.00 N ATOM 859 CA LEU A 57 2.063 -9.650 3.312 1.00 0.00 C ATOM 860 C LEU A 57 2.234 -10.851 2.387 1.00 0.00 C ATOM 861 O LEU A 57 2.363 -11.987 2.844 1.00 0.00 O ATOM 862 CB LEU A 57 0.581 -9.287 3.427 1.00 0.00 C ATOM 863 CG LEU A 57 0.226 -8.245 4.488 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.202 -7.758 4.300 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.417 -8.819 5.884 1.00 0.00 C ATOM 0 H LEU A 57 2.337 -7.614 2.890 1.00 0.00 H new ATOM 0 HA LEU A 57 2.443 -9.917 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.241 -8.920 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.020 -10.197 3.638 1.00 0.00 H new ATOM 0 HG LEU A 57 0.897 -7.393 4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.437 -7.017 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.306 -7.307 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.888 -8.600 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.160 -8.064 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.229 -9.688 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.457 -9.117 6.016 1.00 0.00 H new ATOM 877 N LYS A 58 2.235 -10.592 1.084 1.00 0.00 N ATOM 878 CA LYS A 58 2.393 -11.650 0.093 1.00 0.00 C ATOM 879 C LYS A 58 3.674 -12.441 0.341 1.00 0.00 C ATOM 880 O LYS A 58 3.672 -13.671 0.303 1.00 0.00 O ATOM 881 CB LYS A 58 2.412 -11.058 -1.318 1.00 0.00 C ATOM 882 CG LYS A 58 1.890 -12.006 -2.383 1.00 0.00 C ATOM 883 CD LYS A 58 2.308 -11.565 -3.776 1.00 0.00 C ATOM 884 CE LYS A 58 1.348 -12.082 -4.836 1.00 0.00 C ATOM 885 NZ LYS A 58 1.864 -11.847 -6.213 1.00 0.00 N ATOM 0 H LYS A 58 2.128 -9.658 0.689 1.00 0.00 H new ATOM 0 HA LYS A 58 1.544 -12.328 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.813 -10.148 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.433 -10.771 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.264 -13.012 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.803 -12.054 -2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.346 -10.476 -3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.314 -11.928 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.183 -13.149 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.382 -11.591 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.181 -12.213 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.998 -10.827 -6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.774 -12.337 -6.331 1.00 0.00 H new ATOM 899 N ALA A 59 4.765 -11.726 0.596 1.00 0.00 N ATOM 900 CA ALA A 59 6.051 -12.361 0.854 1.00 0.00 C ATOM 901 C ALA A 59 6.119 -12.906 2.276 1.00 0.00 C ATOM 902 O ALA A 59 6.535 -14.043 2.496 1.00 0.00 O ATOM 903 CB ALA A 59 7.184 -11.376 0.609 1.00 0.00 C ATOM 0 H ALA A 59 4.784 -10.707 0.629 1.00 0.00 H new ATOM 0 HA ALA A 59 6.159 -13.200 0.166 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.139 -11.864 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.155 -11.039 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.071 -10.519 1.273 1.00 0.00 H new ATOM 909 N ASN A 60 5.708 -12.087 3.239 1.00 0.00 N ATOM 910 CA ASN A 60 5.724 -12.487 4.642 1.00 0.00 C ATOM 911 C ASN A 60 4.401 -12.143 5.320 1.00 0.00 C ATOM 912 O ASN A 60 4.023 -10.975 5.410 1.00 0.00 O ATOM 913 CB ASN A 60 6.879 -11.804 5.376 1.00 0.00 C ATOM 914 CG ASN A 60 8.216 -12.047 4.703 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.555 -13.181 4.362 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.984 -10.981 4.508 1.00 0.00 N ATOM 0 H ASN A 60 5.360 -11.143 3.074 1.00 0.00 H new ATOM 0 HA ASN A 60 5.864 -13.567 4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.690 -10.732 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.920 -12.169 6.402 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.894 -11.083 4.060 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.663 -10.060 4.806 1.00 0.00 H new ATOM 923 N ARG A 61 3.703 -13.169 5.796 1.00 0.00 N ATOM 924 CA ARG A 61 2.423 -12.976 6.466 1.00 0.00 C ATOM 925 C ARG A 61 2.626 -12.497 7.901 1.00 0.00 C ATOM 926 O ARG A 61 2.055 -13.052 8.840 1.00 0.00 O ATOM 927 CB ARG A 61 1.619 -14.278 6.461 1.00 0.00 C ATOM 928 CG ARG A 61 2.305 -15.420 7.192 1.00 0.00 C ATOM 929 CD ARG A 61 1.368 -16.603 7.380 1.00 0.00 C ATOM 930 NE ARG A 61 2.092 -17.827 7.713 1.00 0.00 N ATOM 931 CZ ARG A 61 1.499 -18.946 8.113 1.00 0.00 C ATOM 932 NH1 ARG A 61 0.179 -18.996 8.230 1.00 0.00 N ATOM 933 NH2 ARG A 61 2.227 -20.019 8.398 1.00 0.00 N ATOM 0 H ARG A 61 4.002 -14.142 5.730 1.00 0.00 H new ATOM 0 HA ARG A 61 1.869 -12.212 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.647 -14.097 6.919 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.434 -14.577 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.184 -15.736 6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.655 -15.073 8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.654 -16.377 8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.793 -16.759 6.467 1.00 0.00 H new ATOM 0 HE ARG A 61 3.109 -17.822 7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.384 -18.174 8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.273 -19.857 8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.243 -19.984 8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.771 -20.878 8.705 1.00 0.00 H new ATOM 947 N THR A 62 3.446 -11.463 8.063 1.00 0.00 N ATOM 948 CA THR A 62 3.726 -10.910 9.382 1.00 0.00 C ATOM 949 C THR A 62 4.023 -9.417 9.301 1.00 0.00 C ATOM 950 O THR A 62 4.191 -8.865 8.213 1.00 0.00 O ATOM 951 CB THR A 62 4.919 -11.623 10.048 1.00 0.00 C ATOM 952 OG1 THR A 62 6.066 -11.561 9.194 1.00 0.00 O ATOM 953 CG2 THR A 62 4.582 -13.076 10.347 1.00 0.00 C ATOM 0 H THR A 62 3.928 -10.992 7.297 1.00 0.00 H new ATOM 0 HA THR A 62 2.833 -11.068 9.987 1.00 0.00 H new ATOM 0 HB THR A 62 5.138 -11.116 10.988 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.820 -12.015 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.439 -13.559 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.726 -13.120 11.021 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.339 -13.592 9.418 1.00 0.00 H new ATOM 961 N CYS A 63 4.087 -8.768 10.459 1.00 0.00 N ATOM 962 CA CYS A 63 4.363 -7.338 10.520 1.00 0.00 C ATOM 963 C CYS A 63 5.860 -7.067 10.396 1.00 0.00 C ATOM 964 O CYS A 63 6.670 -7.540 11.194 1.00 0.00 O ATOM 965 CB CYS A 63 3.834 -6.750 11.829 1.00 0.00 C ATOM 966 SG CYS A 63 4.217 -4.984 12.060 1.00 0.00 S ATOM 0 H CYS A 63 3.951 -9.210 11.368 1.00 0.00 H new ATOM 0 HA CYS A 63 3.854 -6.860 9.683 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.753 -6.884 11.864 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.252 -7.314 12.663 1.00 0.00 H new ATOM 0 HG CYS A 63 4.699 -4.496 10.955 1.00 0.00 H new ATOM 971 N PRO A 64 6.238 -6.288 9.371 1.00 0.00 N ATOM 972 CA PRO A 64 7.638 -5.937 9.119 1.00 0.00 C ATOM 973 C PRO A 64 8.197 -4.988 10.174 1.00 0.00 C ATOM 974 O PRO A 64 9.309 -4.477 10.036 1.00 0.00 O ATOM 975 CB PRO A 64 7.590 -5.248 7.753 1.00 0.00 C ATOM 976 CG PRO A 64 6.203 -4.715 7.646 1.00 0.00 C ATOM 977 CD PRO A 64 5.327 -5.690 8.381 1.00 0.00 C ATOM 0 HA PRO A 64 8.289 -6.811 9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.328 -4.448 7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.808 -5.950 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.133 -3.720 8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.898 -4.626 6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.484 -5.191 8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.912 -6.443 7.710 1.00 0.00 H new ATOM 985 N ILE A 65 7.420 -4.758 11.227 1.00 0.00 N ATOM 986 CA ILE A 65 7.839 -3.872 12.306 1.00 0.00 C ATOM 987 C ILE A 65 8.059 -4.648 13.600 1.00 0.00 C ATOM 988 O ILE A 65 9.170 -4.695 14.128 1.00 0.00 O ATOM 989 CB ILE A 65 6.803 -2.761 12.557 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.484 -2.028 11.252 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.315 -1.786 13.607 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.531 -0.866 11.429 1.00 0.00 C ATOM 0 H ILE A 65 6.497 -5.173 11.356 1.00 0.00 H new ATOM 0 HA ILE A 65 8.779 -3.417 11.993 1.00 0.00 H new ATOM 0 HB ILE A 65 5.886 -3.217 12.930 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.413 -1.662 10.814 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.054 -2.735 10.543 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.571 -1.007 13.773 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.497 -2.319 14.540 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.244 -1.333 13.261 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.350 -0.393 10.464 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.588 -1.228 11.838 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.968 -0.138 12.113 1.00 0.00 H new ATOM 1004 N CYS A 66 6.992 -5.258 14.107 1.00 0.00 N ATOM 1005 CA CYS A 66 7.067 -6.034 15.339 1.00 0.00 C ATOM 1006 C CYS A 66 6.910 -7.524 15.053 1.00 0.00 C ATOM 1007 O CYS A 66 6.512 -8.296 15.926 1.00 0.00 O ATOM 1008 CB CYS A 66 5.988 -5.575 16.321 1.00 0.00 C ATOM 1009 SG CYS A 66 4.285 -5.805 15.716 1.00 0.00 S ATOM 0 H CYS A 66 6.065 -5.230 13.683 1.00 0.00 H new ATOM 0 HA CYS A 66 8.048 -5.869 15.785 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.107 -6.122 17.256 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.143 -4.520 16.547 1.00 0.00 H new ATOM 0 HG CYS A 66 4.229 -5.504 14.452 1.00 0.00 H new ATOM 1014 N ARG A 67 7.225 -7.922 13.825 1.00 0.00 N ATOM 1015 CA ARG A 67 7.119 -9.320 13.423 1.00 0.00 C ATOM 1016 C ARG A 67 5.896 -9.976 14.059 1.00 0.00 C ATOM 1017 O ARG A 67 5.874 -11.186 14.280 1.00 0.00 O ATOM 1018 CB ARG A 67 8.384 -10.084 13.818 1.00 0.00 C ATOM 1019 CG ARG A 67 8.691 -10.027 15.305 1.00 0.00 C ATOM 1020 CD ARG A 67 10.079 -10.569 15.609 1.00 0.00 C ATOM 1021 NE ARG A 67 10.064 -12.012 15.839 1.00 0.00 N ATOM 1022 CZ ARG A 67 11.123 -12.795 15.663 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.274 -12.277 15.258 1.00 0.00 N ATOM 1024 NH2 ARG A 67 11.031 -14.098 15.894 1.00 0.00 N ATOM 0 H ARG A 67 7.556 -7.296 13.091 1.00 0.00 H new ATOM 0 HA ARG A 67 7.007 -9.353 12.339 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.277 -11.126 13.517 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.231 -9.678 13.265 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.617 -8.997 15.654 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.946 -10.603 15.854 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.747 -10.341 14.779 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.480 -10.066 16.489 1.00 0.00 H new ATOM 0 HE ARG A 67 9.193 -12.442 16.152 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.348 -11.275 15.081 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.086 -12.880 15.124 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.147 -14.499 16.207 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.844 -14.699 15.759 1.00 0.00 H new ATOM 1038 N ALA A 68 4.882 -9.169 14.349 1.00 0.00 N ATOM 1039 CA ALA A 68 3.656 -9.671 14.958 1.00 0.00 C ATOM 1040 C ALA A 68 2.736 -10.288 13.910 1.00 0.00 C ATOM 1041 O ALA A 68 2.142 -9.580 13.097 1.00 0.00 O ATOM 1042 CB ALA A 68 2.938 -8.553 15.699 1.00 0.00 C ATOM 0 H ALA A 68 4.885 -8.164 14.172 1.00 0.00 H new ATOM 0 HA ALA A 68 3.927 -10.450 15.671 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.025 -8.942 16.149 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.588 -8.159 16.481 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.687 -7.756 15.000 1.00 0.00 H new ATOM 1048 N ASP A 69 2.624 -11.612 13.934 1.00 0.00 N ATOM 1049 CA ASP A 69 1.776 -12.325 12.985 1.00 0.00 C ATOM 1050 C ASP A 69 0.402 -11.670 12.886 1.00 0.00 C ATOM 1051 O ASP A 69 -0.247 -11.409 13.900 1.00 0.00 O ATOM 1052 CB ASP A 69 1.628 -13.789 13.402 1.00 0.00 C ATOM 1053 CG ASP A 69 1.066 -14.653 12.290 1.00 0.00 C ATOM 1054 OD1 ASP A 69 -0.175 -14.753 12.188 1.00 0.00 O ATOM 1055 OD2 ASP A 69 1.866 -15.229 11.523 1.00 0.00 O ATOM 0 H ASP A 69 3.110 -12.213 14.600 1.00 0.00 H new ATOM 0 HA ASP A 69 2.251 -12.280 12.005 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.600 -14.178 13.704 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.975 -13.852 14.272 1.00 0.00 H new ATOM 1060 N SER A 70 -0.035 -11.406 11.659 1.00 0.00 N ATOM 1061 CA SER A 70 -1.330 -10.777 11.428 1.00 0.00 C ATOM 1062 C SER A 70 -2.456 -11.803 11.518 1.00 0.00 C ATOM 1063 O SER A 70 -3.381 -11.799 10.707 1.00 0.00 O ATOM 1064 CB SER A 70 -1.353 -10.097 10.058 1.00 0.00 C ATOM 1065 OG SER A 70 -2.516 -9.302 9.902 1.00 0.00 O ATOM 0 H SER A 70 0.489 -11.618 10.810 1.00 0.00 H new ATOM 0 HA SER A 70 -1.484 -10.025 12.202 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.465 -9.475 9.942 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.317 -10.852 9.273 1.00 0.00 H new ATOM 0 HG SER A 70 -3.312 -9.869 9.974 1.00 0.00 H new