USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 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 26 CYS SG : rot 60:sc= -0.131 USER MOD Set 1.2: A 29 CYS SG : rot -58:sc= -0.0435 USER MOD Set 1.3: A 49 HIS : no HE2:sc= -2.18 X(o=-3.7,f=-3.8) USER MOD Set 1.4: A 52 CYS SG : rot 171:sc= -1.36 USER MOD Set 2.1: A 44 CYS SG : rot 100:sc= -0.408 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -0.0435 K(o=-5.9,f=-7.2) USER MOD Set 2.3: A 63 CYS SG : rot 2:sc= -2 USER MOD Set 2.4: A 66 CYS SG : rot -40:sc= -3.42! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -27:sc= 0.379! USER MOD Single : A 30 MET CE :methyl -130:sc= -5.51! (180deg=-7.76!) USER MOD Single : A 31 CYS SG : rot 48:sc= 1.16 USER MOD Single : A 35 SER OG : rot 180:sc= -0.018 USER MOD Single : A 37 GLN : amide:sc= -2.76 K(o=-2.8,f=-5.5!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= -0.203 (180deg=-1.32!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -155:sc=-0.00106 (180deg=-0.432) USER MOD Single : A 60 ASN : amide:sc= 0.0682 X(o=0.068,f=-0.0041) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 100:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.424 3.452 5.739 1.00 0.00 N ATOM 128 CA TYR A 12 -9.674 4.869 5.975 1.00 0.00 C ATOM 129 C TYR A 12 -8.483 5.713 5.532 1.00 0.00 C ATOM 130 O TYR A 12 -7.336 5.268 5.589 1.00 0.00 O ATOM 131 CB TYR A 12 -9.966 5.117 7.456 1.00 0.00 C ATOM 132 CG TYR A 12 -8.727 5.375 8.283 1.00 0.00 C ATOM 133 CD1 TYR A 12 -8.015 4.326 8.851 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.267 6.669 8.495 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.883 4.558 9.608 1.00 0.00 C ATOM 136 CE2 TYR A 12 -7.135 6.910 9.250 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.447 5.852 9.804 1.00 0.00 C ATOM 138 OH TYR A 12 -5.319 6.086 10.556 1.00 0.00 O ATOM 0 HA TYR A 12 -10.543 5.162 5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.638 5.971 7.547 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.491 4.253 7.864 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.352 3.312 8.698 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.803 7.501 8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.342 3.731 10.044 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.791 7.922 9.405 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.147 7.050 10.596 1.00 0.00 H new ATOM 148 N ARG A 13 -8.763 6.936 5.092 1.00 0.00 N ATOM 149 CA ARG A 13 -7.716 7.843 4.639 1.00 0.00 C ATOM 150 C ARG A 13 -7.141 8.637 5.808 1.00 0.00 C ATOM 151 O ARG A 13 -7.881 9.218 6.602 1.00 0.00 O ATOM 152 CB ARG A 13 -8.266 8.801 3.580 1.00 0.00 C ATOM 153 CG ARG A 13 -8.648 8.116 2.278 1.00 0.00 C ATOM 154 CD ARG A 13 -9.425 9.050 1.364 1.00 0.00 C ATOM 155 NE ARG A 13 -10.848 9.077 1.692 1.00 0.00 N ATOM 156 CZ ARG A 13 -11.774 9.607 0.900 1.00 0.00 C ATOM 157 NH1 ARG A 13 -11.429 10.150 -0.259 1.00 0.00 N ATOM 158 NH2 ARG A 13 -13.049 9.593 1.268 1.00 0.00 N ATOM 0 H ARG A 13 -9.706 7.321 5.040 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.917 7.246 4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.141 9.311 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.519 9.567 3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.748 7.773 1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.249 7.233 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.016 10.057 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.297 8.733 0.329 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.147 8.667 2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.450 10.162 -0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.142 10.556 -0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.318 9.175 2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.760 10.000 0.660 1.00 0.00 H new ATOM 172 N PHE A 14 -5.816 8.656 5.909 1.00 0.00 N ATOM 173 CA PHE A 14 -5.141 9.377 6.982 1.00 0.00 C ATOM 174 C PHE A 14 -5.695 10.792 7.120 1.00 0.00 C ATOM 175 O PHE A 14 -6.274 11.337 6.181 1.00 0.00 O ATOM 176 CB PHE A 14 -3.634 9.430 6.719 1.00 0.00 C ATOM 177 CG PHE A 14 -2.916 10.449 7.558 1.00 0.00 C ATOM 178 CD1 PHE A 14 -2.501 10.139 8.843 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.655 11.715 7.061 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.840 11.074 9.617 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.995 12.655 7.830 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.586 12.333 9.109 1.00 0.00 C ATOM 0 H PHE A 14 -5.188 8.180 5.261 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.322 8.843 7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.205 8.446 6.910 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.464 9.653 5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.696 9.156 9.244 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.971 11.971 6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.523 10.821 10.618 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.800 13.639 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.068 13.065 9.711 1.00 0.00 H new ATOM 326 N THR A 24 2.752 7.570 13.079 1.00 0.00 N ATOM 327 CA THR A 24 2.208 6.907 11.901 1.00 0.00 C ATOM 328 C THR A 24 3.165 7.013 10.719 1.00 0.00 C ATOM 329 O THR A 24 3.222 8.042 10.044 1.00 0.00 O ATOM 330 CB THR A 24 0.846 7.503 11.499 1.00 0.00 C ATOM 331 OG1 THR A 24 0.380 6.892 10.291 1.00 0.00 O ATOM 332 CG2 THR A 24 0.950 9.008 11.304 1.00 0.00 C ATOM 0 HA THR A 24 2.074 5.858 12.163 1.00 0.00 H new ATOM 0 HB THR A 24 0.137 7.304 12.303 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.146 6.585 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.024 9.406 11.021 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.276 9.474 12.234 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.673 9.224 10.517 1.00 0.00 H new ATOM 340 N LEU A 25 3.915 5.944 10.473 1.00 0.00 N ATOM 341 CA LEU A 25 4.870 5.917 9.371 1.00 0.00 C ATOM 342 C LEU A 25 4.931 4.531 8.737 1.00 0.00 C ATOM 343 O LEU A 25 4.837 3.516 9.428 1.00 0.00 O ATOM 344 CB LEU A 25 6.259 6.327 9.864 1.00 0.00 C ATOM 345 CG LEU A 25 7.403 6.155 8.864 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.502 7.173 9.130 1.00 0.00 C ATOM 347 CD2 LEU A 25 7.958 4.740 8.928 1.00 0.00 C ATOM 0 H LEU A 25 3.880 5.085 11.022 1.00 0.00 H new ATOM 0 HA LEU A 25 4.535 6.627 8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.221 7.374 10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.492 5.746 10.756 1.00 0.00 H new ATOM 0 HG LEU A 25 7.012 6.326 7.861 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.308 7.035 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.096 8.180 9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.890 7.034 10.139 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.771 4.635 8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.333 4.541 9.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.168 4.028 8.688 1.00 0.00 H new ATOM 359 N CYS A 26 5.091 4.495 7.419 1.00 0.00 N ATOM 360 CA CYS A 26 5.168 3.234 6.691 1.00 0.00 C ATOM 361 C CYS A 26 6.580 2.659 6.746 1.00 0.00 C ATOM 362 O CYS A 26 7.508 3.206 6.152 1.00 0.00 O ATOM 363 CB CYS A 26 4.743 3.436 5.235 1.00 0.00 C ATOM 364 SG CYS A 26 4.545 1.886 4.298 1.00 0.00 S ATOM 0 H CYS A 26 5.170 5.326 6.832 1.00 0.00 H new ATOM 0 HA CYS A 26 4.489 2.526 7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.801 3.983 5.215 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.484 4.059 4.734 1.00 0.00 H new ATOM 0 HG CYS A 26 3.636 1.149 4.865 1.00 0.00 H new ATOM 369 N VAL A 27 6.734 1.551 7.464 1.00 0.00 N ATOM 370 CA VAL A 27 8.032 0.900 7.596 1.00 0.00 C ATOM 371 C VAL A 27 8.433 0.207 6.299 1.00 0.00 C ATOM 372 O VAL A 27 9.607 -0.094 6.081 1.00 0.00 O ATOM 373 CB VAL A 27 8.027 -0.135 8.737 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.650 -1.510 8.210 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.382 -0.172 9.427 1.00 0.00 C ATOM 0 H VAL A 27 5.976 1.085 7.963 1.00 0.00 H new ATOM 0 HA VAL A 27 8.756 1.681 7.827 1.00 0.00 H new ATOM 0 HB VAL A 27 7.278 0.163 9.471 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.652 -2.227 9.031 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.655 -1.469 7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.372 -1.821 7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.361 -0.908 10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.151 -0.445 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.606 0.811 9.841 1.00 0.00 H new ATOM 385 N VAL A 28 7.451 -0.042 5.438 1.00 0.00 N ATOM 386 CA VAL A 28 7.702 -0.699 4.161 1.00 0.00 C ATOM 387 C VAL A 28 8.519 0.196 3.235 1.00 0.00 C ATOM 388 O VAL A 28 9.659 -0.121 2.894 1.00 0.00 O ATOM 389 CB VAL A 28 6.386 -1.080 3.458 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.668 -1.832 2.166 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.508 -1.908 4.385 1.00 0.00 C ATOM 0 H VAL A 28 6.474 0.202 5.602 1.00 0.00 H new ATOM 0 HA VAL A 28 8.266 -1.606 4.377 1.00 0.00 H new ATOM 0 HB VAL A 28 5.850 -0.164 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.726 -2.093 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.255 -1.201 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.225 -2.742 2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.582 -2.169 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.035 -2.819 4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.277 -1.330 5.280 1.00 0.00 H new ATOM 401 N CYS A 29 7.928 1.316 2.831 1.00 0.00 N ATOM 402 CA CYS A 29 8.600 2.258 1.944 1.00 0.00 C ATOM 403 C CYS A 29 9.324 3.337 2.744 1.00 0.00 C ATOM 404 O CYS A 29 9.947 4.233 2.175 1.00 0.00 O ATOM 405 CB CYS A 29 7.591 2.904 0.993 1.00 0.00 C ATOM 406 SG CYS A 29 6.322 3.910 1.827 1.00 0.00 S ATOM 0 H CYS A 29 6.985 1.593 3.104 1.00 0.00 H new ATOM 0 HA CYS A 29 9.337 1.706 1.361 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.128 3.532 0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.098 2.121 0.417 1.00 0.00 H new ATOM 0 HG CYS A 29 5.682 3.175 2.687 1.00 0.00 H new ATOM 411 N MET A 30 9.237 3.243 4.067 1.00 0.00 N ATOM 412 CA MET A 30 9.884 4.211 4.946 1.00 0.00 C ATOM 413 C MET A 30 9.541 5.638 4.530 1.00 0.00 C ATOM 414 O MET A 30 10.415 6.504 4.474 1.00 0.00 O ATOM 415 CB MET A 30 11.401 4.012 4.928 1.00 0.00 C ATOM 416 CG MET A 30 11.891 2.977 5.928 1.00 0.00 C ATOM 417 SD MET A 30 12.365 3.707 7.506 1.00 0.00 S ATOM 418 CE MET A 30 10.809 3.643 8.391 1.00 0.00 C ATOM 0 H MET A 30 8.725 2.507 4.554 1.00 0.00 H new ATOM 0 HA MET A 30 9.515 4.049 5.959 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.708 3.711 3.926 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.887 4.965 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.107 2.239 6.095 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.745 2.446 5.507 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.595 4.621 8.822 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.010 3.367 7.703 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.874 2.902 9.187 1.00 0.00 H new ATOM 428 N CYS A 31 8.267 5.874 4.239 1.00 0.00 N ATOM 429 CA CYS A 31 7.810 7.197 3.827 1.00 0.00 C ATOM 430 C CYS A 31 6.472 7.536 4.477 1.00 0.00 C ATOM 431 O CYS A 31 5.562 6.708 4.518 1.00 0.00 O ATOM 432 CB CYS A 31 7.682 7.264 2.305 1.00 0.00 C ATOM 433 SG CYS A 31 9.240 7.013 1.422 1.00 0.00 S ATOM 0 H CYS A 31 7.532 5.168 4.280 1.00 0.00 H new ATOM 0 HA CYS A 31 8.549 7.928 4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.966 6.510 1.978 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.272 8.235 2.028 1.00 0.00 H new ATOM 0 HG CYS A 31 9.843 5.963 1.895 1.00 0.00 H new ATOM 439 N ASP A 32 6.361 8.758 4.986 1.00 0.00 N ATOM 440 CA ASP A 32 5.135 9.207 5.635 1.00 0.00 C ATOM 441 C ASP A 32 3.915 8.879 4.780 1.00 0.00 C ATOM 442 O ASP A 32 4.028 8.676 3.571 1.00 0.00 O ATOM 443 CB ASP A 32 5.196 10.712 5.902 1.00 0.00 C ATOM 444 CG ASP A 32 4.368 11.121 7.104 1.00 0.00 C ATOM 445 OD1 ASP A 32 4.224 10.298 8.032 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.864 12.264 7.117 1.00 0.00 O ATOM 0 H ASP A 32 7.105 9.455 4.962 1.00 0.00 H new ATOM 0 HA ASP A 32 5.042 8.680 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.233 11.008 6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.843 11.249 5.022 1.00 0.00 H new ATOM 451 N PHE A 33 2.750 8.826 5.416 1.00 0.00 N ATOM 452 CA PHE A 33 1.509 8.520 4.714 1.00 0.00 C ATOM 453 C PHE A 33 0.895 9.783 4.117 1.00 0.00 C ATOM 454 O PHE A 33 1.491 10.858 4.168 1.00 0.00 O ATOM 455 CB PHE A 33 0.511 7.854 5.664 1.00 0.00 C ATOM 456 CG PHE A 33 1.030 6.591 6.290 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.183 5.440 5.534 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.365 6.555 7.634 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.660 4.276 6.107 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.843 5.394 8.212 1.00 0.00 C ATOM 461 CZ PHE A 33 1.990 4.253 7.448 1.00 0.00 C ATOM 0 H PHE A 33 2.639 8.991 6.416 1.00 0.00 H new ATOM 0 HA PHE A 33 1.742 7.832 3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.246 8.559 6.452 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.405 7.629 5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.927 5.452 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.251 7.444 8.237 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.775 3.385 5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.101 5.379 9.261 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.362 3.345 7.898 1.00 0.00 H new ATOM 471 N GLU A 34 -0.300 9.643 3.551 1.00 0.00 N ATOM 472 CA GLU A 34 -0.993 10.772 2.944 1.00 0.00 C ATOM 473 C GLU A 34 -2.453 10.817 3.387 1.00 0.00 C ATOM 474 O GLU A 34 -3.103 9.781 3.525 1.00 0.00 O ATOM 475 CB GLU A 34 -0.914 10.687 1.418 1.00 0.00 C ATOM 476 CG GLU A 34 0.334 11.329 0.836 1.00 0.00 C ATOM 477 CD GLU A 34 0.172 12.821 0.614 1.00 0.00 C ATOM 478 OE1 GLU A 34 -0.580 13.458 1.380 1.00 0.00 O ATOM 479 OE2 GLU A 34 0.799 13.350 -0.328 1.00 0.00 O ATOM 0 H GLU A 34 -0.807 8.760 3.501 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.502 11.687 3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.947 9.639 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.793 11.168 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.175 11.154 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.577 10.849 -0.112 1.00 0.00 H new ATOM 486 N SER A 35 -2.961 12.025 3.608 1.00 0.00 N ATOM 487 CA SER A 35 -4.343 12.205 4.040 1.00 0.00 C ATOM 488 C SER A 35 -5.314 11.791 2.939 1.00 0.00 C ATOM 489 O SER A 35 -6.468 11.458 3.208 1.00 0.00 O ATOM 490 CB SER A 35 -4.590 13.663 4.433 1.00 0.00 C ATOM 491 OG SER A 35 -4.824 14.467 3.289 1.00 0.00 O ATOM 0 H SER A 35 -2.437 12.893 3.495 1.00 0.00 H new ATOM 0 HA SER A 35 -4.513 11.568 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.447 13.722 5.104 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.729 14.046 4.981 1.00 0.00 H new ATOM 0 HG SER A 35 -4.981 15.394 3.567 1.00 0.00 H new ATOM 497 N ARG A 36 -4.838 11.816 1.699 1.00 0.00 N ATOM 498 CA ARG A 36 -5.664 11.445 0.556 1.00 0.00 C ATOM 499 C ARG A 36 -5.234 10.095 -0.011 1.00 0.00 C ATOM 500 O ARG A 36 -5.207 9.902 -1.226 1.00 0.00 O ATOM 501 CB ARG A 36 -5.580 12.517 -0.531 1.00 0.00 C ATOM 502 CG ARG A 36 -6.023 13.894 -0.065 1.00 0.00 C ATOM 503 CD ARG A 36 -7.517 14.096 -0.265 1.00 0.00 C ATOM 504 NE ARG A 36 -8.032 15.204 0.534 1.00 0.00 N ATOM 505 CZ ARG A 36 -9.138 15.876 0.233 1.00 0.00 C ATOM 506 NH1 ARG A 36 -9.842 15.552 -0.843 1.00 0.00 N ATOM 507 NH2 ARG A 36 -9.542 16.873 1.010 1.00 0.00 N ATOM 0 H ARG A 36 -3.885 12.089 1.460 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.696 11.364 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.553 12.578 -0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.197 12.213 -1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.776 14.020 0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.475 14.659 -0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.719 14.285 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.045 13.181 0.002 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.514 15.477 1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.535 14.785 -1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.691 16.069 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.003 17.124 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.391 17.388 0.778 1.00 0.00 H new ATOM 521 N GLN A 37 -4.897 9.166 0.878 1.00 0.00 N ATOM 522 CA GLN A 37 -4.466 7.836 0.466 1.00 0.00 C ATOM 523 C GLN A 37 -4.957 6.776 1.447 1.00 0.00 C ATOM 524 O GLN A 37 -4.840 6.939 2.663 1.00 0.00 O ATOM 525 CB GLN A 37 -2.942 7.781 0.357 1.00 0.00 C ATOM 526 CG GLN A 37 -2.360 8.831 -0.575 1.00 0.00 C ATOM 527 CD GLN A 37 -2.898 8.720 -1.987 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.629 7.784 -2.314 1.00 0.00 O ATOM 529 NE2 GLN A 37 -2.540 9.678 -2.835 1.00 0.00 N ATOM 0 H GLN A 37 -4.914 9.310 1.888 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.900 7.628 -0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.510 7.909 1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.647 6.792 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.583 9.823 -0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.275 8.732 -0.595 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.933 10.435 -2.522 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.873 9.656 -3.799 1.00 0.00 H new ATOM 538 N LEU A 38 -5.506 5.691 0.913 1.00 0.00 N ATOM 539 CA LEU A 38 -6.015 4.604 1.742 1.00 0.00 C ATOM 540 C LEU A 38 -4.873 3.862 2.429 1.00 0.00 C ATOM 541 O LEU A 38 -3.932 3.407 1.776 1.00 0.00 O ATOM 542 CB LEU A 38 -6.834 3.629 0.893 1.00 0.00 C ATOM 543 CG LEU A 38 -7.809 2.732 1.655 1.00 0.00 C ATOM 544 CD1 LEU A 38 -9.108 3.472 1.935 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.079 1.454 0.875 1.00 0.00 C ATOM 0 H LEU A 38 -5.610 5.540 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.657 5.036 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.398 4.204 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.144 2.993 0.338 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.355 2.463 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.790 2.818 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.900 4.358 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.566 3.772 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.775 0.828 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.512 1.704 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.144 0.914 0.727 1.00 0.00 H new ATOM 557 N LEU A 39 -4.962 3.742 3.749 1.00 0.00 N ATOM 558 CA LEU A 39 -3.937 3.053 4.525 1.00 0.00 C ATOM 559 C LEU A 39 -4.532 1.876 5.290 1.00 0.00 C ATOM 560 O LEU A 39 -5.715 1.881 5.634 1.00 0.00 O ATOM 561 CB LEU A 39 -3.268 4.024 5.500 1.00 0.00 C ATOM 562 CG LEU A 39 -2.955 5.416 4.951 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.528 6.349 6.074 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.875 5.337 3.882 1.00 0.00 C ATOM 0 H LEU A 39 -5.733 4.113 4.304 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.188 2.670 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.914 4.135 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.338 3.575 5.848 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.860 5.818 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.309 7.335 5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.332 6.430 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.636 5.951 6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.665 6.337 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.967 4.914 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.218 4.703 3.064 1.00 0.00 H new ATOM 576 N ARG A 40 -3.706 0.870 5.555 1.00 0.00 N ATOM 577 CA ARG A 40 -4.151 -0.314 6.281 1.00 0.00 C ATOM 578 C ARG A 40 -3.387 -0.466 7.593 1.00 0.00 C ATOM 579 O ARG A 40 -2.160 -0.556 7.603 1.00 0.00 O ATOM 580 CB ARG A 40 -3.963 -1.566 5.422 1.00 0.00 C ATOM 581 CG ARG A 40 -5.098 -1.806 4.440 1.00 0.00 C ATOM 582 CD ARG A 40 -6.199 -2.654 5.057 1.00 0.00 C ATOM 583 NE ARG A 40 -7.094 -3.210 4.046 1.00 0.00 N ATOM 584 CZ ARG A 40 -6.836 -4.324 3.369 1.00 0.00 C ATOM 585 NH1 ARG A 40 -5.716 -4.997 3.595 1.00 0.00 N ATOM 586 NH2 ARG A 40 -7.700 -4.767 2.465 1.00 0.00 N ATOM 0 H ARG A 40 -2.725 0.851 5.278 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.210 -0.193 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.027 -1.480 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.869 -2.434 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.511 -0.850 4.119 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.711 -2.302 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.752 -3.466 5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.775 -2.048 5.756 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.965 -2.716 3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.050 -4.660 4.290 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.521 -5.852 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.563 -4.252 2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.501 -5.622 1.946 1.00 0.00 H new ATOM 600 N VAL A 41 -4.123 -0.492 8.700 1.00 0.00 N ATOM 601 CA VAL A 41 -3.516 -0.634 10.018 1.00 0.00 C ATOM 602 C VAL A 41 -3.451 -2.098 10.439 1.00 0.00 C ATOM 603 O VAL A 41 -4.477 -2.770 10.548 1.00 0.00 O ATOM 604 CB VAL A 41 -4.295 0.161 11.083 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.675 -0.037 12.458 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.341 1.637 10.718 1.00 0.00 C ATOM 0 H VAL A 41 -5.140 -0.417 8.710 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.504 -0.235 9.945 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.318 -0.214 11.115 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.239 0.532 13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.699 -1.095 12.719 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.642 0.310 12.445 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.895 2.183 11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.326 2.028 10.657 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.835 1.758 9.754 1.00 0.00 H new ATOM 616 N LEU A 42 -2.238 -2.586 10.676 1.00 0.00 N ATOM 617 CA LEU A 42 -2.038 -3.971 11.086 1.00 0.00 C ATOM 618 C LEU A 42 -2.695 -4.240 12.437 1.00 0.00 C ATOM 619 O LEU A 42 -2.952 -3.327 13.222 1.00 0.00 O ATOM 620 CB LEU A 42 -0.544 -4.291 11.160 1.00 0.00 C ATOM 621 CG LEU A 42 0.155 -4.542 9.823 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.611 -4.923 10.046 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.568 -5.626 9.038 1.00 0.00 C ATOM 0 H LEU A 42 -1.379 -2.043 10.591 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.505 -4.615 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.040 -3.465 11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.412 -5.172 11.787 1.00 0.00 H new ATOM 0 HG LEU A 42 0.127 -3.621 9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.093 -5.098 9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.123 -4.114 10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.662 -5.831 10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.057 -5.791 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.572 -6.551 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.595 -5.313 8.847 1.00 0.00 H new ATOM 635 N PRO A 43 -2.971 -5.522 12.716 1.00 0.00 N ATOM 636 CA PRO A 43 -3.598 -5.941 13.973 1.00 0.00 C ATOM 637 C PRO A 43 -2.665 -5.779 15.168 1.00 0.00 C ATOM 638 O PRO A 43 -2.989 -6.192 16.282 1.00 0.00 O ATOM 639 CB PRO A 43 -3.913 -7.420 13.737 1.00 0.00 C ATOM 640 CG PRO A 43 -2.929 -7.857 12.708 1.00 0.00 C ATOM 641 CD PRO A 43 -2.692 -6.662 11.827 1.00 0.00 C ATOM 0 HA PRO A 43 -4.474 -5.338 14.212 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.809 -7.998 14.655 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.937 -7.556 13.389 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.001 -8.190 13.172 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.315 -8.697 12.131 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.669 -6.637 11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.351 -6.666 10.959 1.00 0.00 H new ATOM 649 N CYS A 44 -1.505 -5.176 14.931 1.00 0.00 N ATOM 650 CA CYS A 44 -0.525 -4.959 15.987 1.00 0.00 C ATOM 651 C CYS A 44 -0.369 -3.471 16.288 1.00 0.00 C ATOM 652 O CYS A 44 0.656 -3.038 16.812 1.00 0.00 O ATOM 653 CB CYS A 44 0.827 -5.554 15.587 1.00 0.00 C ATOM 654 SG CYS A 44 1.299 -5.230 13.858 1.00 0.00 S ATOM 0 H CYS A 44 -1.221 -4.829 14.015 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.882 -5.458 16.888 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.598 -5.152 16.244 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.800 -6.632 15.749 1.00 0.00 H new ATOM 0 HG CYS A 44 2.138 -4.238 13.816 1.00 0.00 H new ATOM 659 N ASN A 45 -1.394 -2.695 15.952 1.00 0.00 N ATOM 660 CA ASN A 45 -1.371 -1.255 16.185 1.00 0.00 C ATOM 661 C ASN A 45 -0.260 -0.591 15.378 1.00 0.00 C ATOM 662 O ASN A 45 0.577 0.127 15.926 1.00 0.00 O ATOM 663 CB ASN A 45 -1.179 -0.962 17.675 1.00 0.00 C ATOM 664 CG ASN A 45 -2.377 -1.379 18.505 1.00 0.00 C ATOM 665 OD1 ASN A 45 -3.390 -0.681 18.548 1.00 0.00 O ATOM 666 ND2 ASN A 45 -2.267 -2.523 19.170 1.00 0.00 N ATOM 0 H ASN A 45 -2.251 -3.039 15.518 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.327 -0.844 15.860 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.292 -1.484 18.034 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.998 0.104 17.813 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.041 -2.855 19.745 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.408 -3.070 19.105 1.00 0.00 H new ATOM 673 N HIS A 46 -0.259 -0.834 14.071 1.00 0.00 N ATOM 674 CA HIS A 46 0.748 -0.258 13.187 1.00 0.00 C ATOM 675 C HIS A 46 0.117 0.220 11.883 1.00 0.00 C ATOM 676 O HIS A 46 -0.731 -0.462 11.307 1.00 0.00 O ATOM 677 CB HIS A 46 1.843 -1.283 12.891 1.00 0.00 C ATOM 678 CG HIS A 46 2.884 -1.375 13.965 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.502 -2.557 14.314 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.414 -0.423 14.767 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.368 -2.327 15.286 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.334 -1.040 15.579 1.00 0.00 N ATOM 0 H HIS A 46 -0.944 -1.426 13.601 1.00 0.00 H new ATOM 0 HA HIS A 46 1.191 0.601 13.692 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.385 -2.263 12.756 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.327 -1.024 11.949 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.161 0.627 14.768 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.997 -3.066 15.760 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.899 -0.579 16.292 1.00 0.00 H new ATOM 690 N GLU A 47 0.536 1.395 11.424 1.00 0.00 N ATOM 691 CA GLU A 47 0.009 1.963 10.188 1.00 0.00 C ATOM 692 C GLU A 47 0.860 1.547 8.992 1.00 0.00 C ATOM 693 O GLU A 47 2.082 1.437 9.093 1.00 0.00 O ATOM 694 CB GLU A 47 -0.043 3.490 10.285 1.00 0.00 C ATOM 695 CG GLU A 47 -0.759 3.997 11.525 1.00 0.00 C ATOM 696 CD GLU A 47 -0.072 3.575 12.809 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.979 4.163 13.141 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.584 2.656 13.483 1.00 0.00 O ATOM 0 H GLU A 47 1.238 1.972 11.888 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.001 1.580 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.974 3.881 10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.542 3.885 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.815 5.085 11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.783 3.625 11.526 1.00 0.00 H new ATOM 705 N PHE A 48 0.204 1.316 7.859 1.00 0.00 N ATOM 706 CA PHE A 48 0.899 0.910 6.643 1.00 0.00 C ATOM 707 C PHE A 48 0.148 1.386 5.403 1.00 0.00 C ATOM 708 O PHE A 48 -0.958 1.919 5.500 1.00 0.00 O ATOM 709 CB PHE A 48 1.057 -0.611 6.604 1.00 0.00 C ATOM 710 CG PHE A 48 1.896 -1.156 7.725 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.277 -1.194 7.619 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.303 -1.629 8.885 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.052 -1.694 8.649 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.073 -2.130 9.918 1.00 0.00 C ATOM 715 CZ PHE A 48 3.449 -2.163 9.799 1.00 0.00 C ATOM 0 H PHE A 48 -0.807 1.403 7.758 1.00 0.00 H new ATOM 0 HA PHE A 48 1.887 1.371 6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.070 -1.072 6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.506 -0.897 5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.754 -0.829 6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.228 -1.606 8.983 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.128 -1.718 8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.599 -2.495 10.817 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.052 -2.555 10.604 1.00 0.00 H new ATOM 725 N HIS A 49 0.758 1.191 4.238 1.00 0.00 N ATOM 726 CA HIS A 49 0.148 1.600 2.978 1.00 0.00 C ATOM 727 C HIS A 49 -0.650 0.454 2.363 1.00 0.00 C ATOM 728 O HIS A 49 -0.164 -0.672 2.269 1.00 0.00 O ATOM 729 CB HIS A 49 1.221 2.073 1.997 1.00 0.00 C ATOM 730 CG HIS A 49 1.528 3.535 2.105 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.813 4.033 2.147 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.707 4.609 2.177 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.770 5.350 2.242 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.503 5.725 2.262 1.00 0.00 N ATOM 0 H HIS A 49 1.674 0.753 4.141 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.534 2.425 3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.135 1.504 2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.895 1.853 0.981 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.664 3.472 2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.373 4.591 2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.625 6.008 2.294 1.00 0.00 H new ATOM 742 N ALA A 50 -1.878 0.750 1.948 1.00 0.00 N ATOM 743 CA ALA A 50 -2.742 -0.255 1.342 1.00 0.00 C ATOM 744 C ALA A 50 -2.018 -1.002 0.227 1.00 0.00 C ATOM 745 O ALA A 50 -2.355 -2.142 -0.092 1.00 0.00 O ATOM 746 CB ALA A 50 -4.011 0.394 0.807 1.00 0.00 C ATOM 0 H ALA A 50 -2.296 1.678 2.021 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.012 -0.978 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.647 -0.368 0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.546 0.877 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.750 1.139 0.055 1.00 0.00 H new ATOM 752 N LYS A 51 -1.020 -0.352 -0.363 1.00 0.00 N ATOM 753 CA LYS A 51 -0.246 -0.954 -1.442 1.00 0.00 C ATOM 754 C LYS A 51 0.973 -1.689 -0.894 1.00 0.00 C ATOM 755 O LYS A 51 1.242 -2.831 -1.267 1.00 0.00 O ATOM 756 CB LYS A 51 0.198 0.119 -2.439 1.00 0.00 C ATOM 757 CG LYS A 51 1.100 1.178 -1.831 1.00 0.00 C ATOM 758 CD LYS A 51 1.530 2.205 -2.866 1.00 0.00 C ATOM 759 CE LYS A 51 2.836 1.806 -3.536 1.00 0.00 C ATOM 760 NZ LYS A 51 2.627 0.767 -4.583 1.00 0.00 N ATOM 0 H LYS A 51 -0.728 0.593 -0.112 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.883 -1.675 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.721 -0.360 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.685 0.602 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.577 1.678 -1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.981 0.703 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.750 2.312 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.647 3.178 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.298 2.686 -3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.530 1.430 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.357 0.863 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.691 -0.178 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.687 0.889 -5.011 1.00 0.00 H new ATOM 774 N CYS A 52 1.706 -1.027 -0.004 1.00 0.00 N ATOM 775 CA CYS A 52 2.896 -1.617 0.597 1.00 0.00 C ATOM 776 C CYS A 52 2.550 -2.909 1.332 1.00 0.00 C ATOM 777 O CYS A 52 2.932 -3.999 0.907 1.00 0.00 O ATOM 778 CB CYS A 52 3.548 -0.627 1.564 1.00 0.00 C ATOM 779 SG CYS A 52 4.186 0.881 0.765 1.00 0.00 S ATOM 0 H CYS A 52 1.496 -0.082 0.317 1.00 0.00 H new ATOM 0 HA CYS A 52 3.599 -1.851 -0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.819 -0.343 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.368 -1.126 2.081 1.00 0.00 H new ATOM 0 HG CYS A 52 4.546 1.736 1.676 1.00 0.00 H new ATOM 784 N VAL A 53 1.824 -2.779 2.438 1.00 0.00 N ATOM 785 CA VAL A 53 1.425 -3.935 3.232 1.00 0.00 C ATOM 786 C VAL A 53 0.930 -5.068 2.341 1.00 0.00 C ATOM 787 O VAL A 53 1.208 -6.240 2.597 1.00 0.00 O ATOM 788 CB VAL A 53 0.321 -3.569 4.241 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.019 -3.424 3.536 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.242 -4.612 5.345 1.00 0.00 C ATOM 0 H VAL A 53 1.500 -1.884 2.805 1.00 0.00 H new ATOM 0 HA VAL A 53 2.309 -4.265 3.777 1.00 0.00 H new ATOM 0 HB VAL A 53 0.571 -2.610 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.787 -3.165 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.952 -2.637 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.280 -4.366 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.543 -4.338 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.016 -5.586 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.197 -4.661 5.868 1.00 0.00 H new ATOM 800 N ASP A 54 0.194 -4.712 1.294 1.00 0.00 N ATOM 801 CA ASP A 54 -0.341 -5.699 0.363 1.00 0.00 C ATOM 802 C ASP A 54 0.777 -6.562 -0.214 1.00 0.00 C ATOM 803 O ASP A 54 0.698 -7.791 -0.200 1.00 0.00 O ATOM 804 CB ASP A 54 -1.102 -5.006 -0.768 1.00 0.00 C ATOM 805 CG ASP A 54 -1.282 -5.901 -1.978 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.650 -7.079 -1.795 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.053 -5.422 -3.109 1.00 0.00 O ATOM 0 H ASP A 54 -0.046 -3.747 1.068 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.029 -6.344 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.080 -4.691 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.566 -4.104 -1.063 1.00 0.00 H new ATOM 812 N LYS A 55 1.818 -5.911 -0.722 1.00 0.00 N ATOM 813 CA LYS A 55 2.953 -6.618 -1.305 1.00 0.00 C ATOM 814 C LYS A 55 3.728 -7.378 -0.233 1.00 0.00 C ATOM 815 O LYS A 55 4.193 -8.494 -0.465 1.00 0.00 O ATOM 816 CB LYS A 55 3.881 -5.633 -2.019 1.00 0.00 C ATOM 817 CG LYS A 55 5.196 -6.250 -2.464 1.00 0.00 C ATOM 818 CD LYS A 55 6.245 -6.177 -1.367 1.00 0.00 C ATOM 819 CE LYS A 55 7.645 -6.396 -1.920 1.00 0.00 C ATOM 820 NZ LYS A 55 8.689 -6.224 -0.871 1.00 0.00 N ATOM 0 H LYS A 55 1.899 -4.894 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 55 2.570 -7.336 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.366 -5.228 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.089 -4.795 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.034 -7.291 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.560 -5.733 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.194 -5.205 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.031 -6.928 -0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.716 -7.398 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.828 -5.694 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.629 -6.381 -1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.638 -5.259 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.530 -6.911 -0.107 1.00 0.00 H new ATOM 834 N TRP A 56 3.862 -6.768 0.938 1.00 0.00 N ATOM 835 CA TRP A 56 4.580 -7.389 2.046 1.00 0.00 C ATOM 836 C TRP A 56 3.882 -8.667 2.498 1.00 0.00 C ATOM 837 O TRP A 56 4.445 -9.759 2.409 1.00 0.00 O ATOM 838 CB TRP A 56 4.694 -6.413 3.218 1.00 0.00 C ATOM 839 CG TRP A 56 5.439 -6.977 4.390 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.899 -7.554 5.503 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.860 -7.015 4.564 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.899 -7.949 6.360 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.111 -7.630 5.806 1.00 0.00 C ATOM 844 CE3 TRP A 56 7.944 -6.591 3.791 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.401 -7.829 6.291 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.224 -6.789 4.274 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.444 -7.404 5.514 1.00 0.00 C ATOM 0 H TRP A 56 3.483 -5.844 1.146 1.00 0.00 H new ATOM 0 HA TRP A 56 5.581 -7.647 1.699 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.196 -5.507 2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.693 -6.122 3.538 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.842 -7.681 5.684 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.761 -8.405 7.262 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.785 -6.117 2.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.572 -8.302 7.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.069 -6.464 3.686 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.456 -7.545 5.863 1.00 0.00 H new ATOM 858 N LEU A 57 2.654 -8.525 2.985 1.00 0.00 N ATOM 859 CA LEU A 57 1.879 -9.669 3.452 1.00 0.00 C ATOM 860 C LEU A 57 2.008 -10.844 2.488 1.00 0.00 C ATOM 861 O LEU A 57 1.961 -12.005 2.896 1.00 0.00 O ATOM 862 CB LEU A 57 0.407 -9.283 3.608 1.00 0.00 C ATOM 863 CG LEU A 57 0.076 -8.365 4.785 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.369 -7.896 4.706 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.337 -9.074 6.106 1.00 0.00 C ATOM 0 H LEU A 57 2.174 -7.629 3.067 1.00 0.00 H new ATOM 0 HA LEU A 57 2.274 -9.973 4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.081 -8.795 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.179 -10.197 3.709 1.00 0.00 H new ATOM 0 HG LEU A 57 0.724 -7.490 4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.587 -7.244 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.523 -7.348 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.034 -8.759 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.096 -8.405 6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.285 -9.967 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.388 -9.359 6.165 1.00 0.00 H new ATOM 877 N LYS A 58 2.174 -10.536 1.206 1.00 0.00 N ATOM 878 CA LYS A 58 2.315 -11.565 0.183 1.00 0.00 C ATOM 879 C LYS A 58 3.615 -12.342 0.367 1.00 0.00 C ATOM 880 O LYS A 58 3.642 -13.565 0.235 1.00 0.00 O ATOM 881 CB LYS A 58 2.278 -10.936 -1.212 1.00 0.00 C ATOM 882 CG LYS A 58 0.884 -10.866 -1.810 1.00 0.00 C ATOM 883 CD LYS A 58 0.756 -9.712 -2.792 1.00 0.00 C ATOM 884 CE LYS A 58 1.287 -10.089 -4.166 1.00 0.00 C ATOM 885 NZ LYS A 58 2.764 -9.918 -4.256 1.00 0.00 N ATOM 0 H LYS A 58 2.214 -9.581 0.851 1.00 0.00 H new ATOM 0 HA LYS A 58 1.480 -12.259 0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.692 -9.929 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.922 -11.511 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.657 -11.804 -2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.150 -10.749 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.290 -9.416 -2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.303 -8.848 -2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.027 -11.125 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.803 -9.473 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.036 -9.766 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.054 -9.097 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.235 -10.772 -3.895 1.00 0.00 H new ATOM 899 N ALA A 59 4.689 -11.623 0.674 1.00 0.00 N ATOM 900 CA ALA A 59 5.991 -12.246 0.880 1.00 0.00 C ATOM 901 C ALA A 59 6.108 -12.822 2.288 1.00 0.00 C ATOM 902 O ALA A 59 6.548 -13.956 2.470 1.00 0.00 O ATOM 903 CB ALA A 59 7.104 -11.240 0.626 1.00 0.00 C ATOM 0 H ALA A 59 4.684 -10.609 0.786 1.00 0.00 H new ATOM 0 HA ALA A 59 6.089 -13.067 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.070 -11.719 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.041 -10.879 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.999 -10.400 1.313 1.00 0.00 H new ATOM 909 N ASN A 60 5.711 -12.032 3.280 1.00 0.00 N ATOM 910 CA ASN A 60 5.772 -12.463 4.672 1.00 0.00 C ATOM 911 C ASN A 60 4.444 -12.211 5.379 1.00 0.00 C ATOM 912 O ASN A 60 3.907 -11.104 5.336 1.00 0.00 O ATOM 913 CB ASN A 60 6.900 -11.734 5.404 1.00 0.00 C ATOM 914 CG ASN A 60 8.244 -11.918 4.727 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.662 -13.042 4.448 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.929 -10.812 4.459 1.00 0.00 N ATOM 0 H ASN A 60 5.344 -11.090 3.146 1.00 0.00 H new ATOM 0 HA ASN A 60 5.972 -13.534 4.686 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.666 -10.671 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.960 -12.100 6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.840 -10.874 4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.544 -9.901 4.708 1.00 0.00 H new ATOM 923 N ARG A 61 3.921 -13.244 6.030 1.00 0.00 N ATOM 924 CA ARG A 61 2.655 -13.135 6.746 1.00 0.00 C ATOM 925 C ARG A 61 2.867 -12.540 8.135 1.00 0.00 C ATOM 926 O ARG A 61 2.192 -12.918 9.093 1.00 0.00 O ATOM 927 CB ARG A 61 1.990 -14.508 6.862 1.00 0.00 C ATOM 928 CG ARG A 61 0.478 -14.442 7.003 1.00 0.00 C ATOM 929 CD ARG A 61 -0.161 -15.804 6.785 1.00 0.00 C ATOM 930 NE ARG A 61 0.292 -16.785 7.768 1.00 0.00 N ATOM 931 CZ ARG A 61 -0.245 -16.917 8.976 1.00 0.00 C ATOM 932 NH1 ARG A 61 -1.249 -16.135 9.348 1.00 0.00 N ATOM 933 NH2 ARG A 61 0.222 -17.833 9.815 1.00 0.00 N ATOM 0 H ARG A 61 4.354 -14.166 6.077 1.00 0.00 H new ATOM 0 HA ARG A 61 2.002 -12.470 6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.239 -15.099 5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.404 -15.031 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.220 -14.072 7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.075 -13.730 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.245 -15.709 6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.076 -16.159 5.782 1.00 0.00 H new ATOM 0 HE ARG A 61 1.063 -17.402 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.611 -15.430 8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.659 -16.239 10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.994 -18.437 9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.191 -17.933 10.742 1.00 0.00 H new ATOM 947 N THR A 62 3.809 -11.608 8.237 1.00 0.00 N ATOM 948 CA THR A 62 4.111 -10.963 9.509 1.00 0.00 C ATOM 949 C THR A 62 4.251 -9.454 9.340 1.00 0.00 C ATOM 950 O THR A 62 4.175 -8.934 8.227 1.00 0.00 O ATOM 951 CB THR A 62 5.406 -11.521 10.129 1.00 0.00 C ATOM 952 OG1 THR A 62 6.459 -11.507 9.158 1.00 0.00 O ATOM 953 CG2 THR A 62 5.195 -12.940 10.636 1.00 0.00 C ATOM 0 H THR A 62 4.376 -11.283 7.454 1.00 0.00 H new ATOM 0 HA THR A 62 3.277 -11.176 10.177 1.00 0.00 H new ATOM 0 HB THR A 62 5.682 -10.888 10.973 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.279 -11.862 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.123 -13.313 11.069 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.413 -12.943 11.395 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.898 -13.582 9.807 1.00 0.00 H new ATOM 961 N CYS A 63 4.456 -8.756 10.452 1.00 0.00 N ATOM 962 CA CYS A 63 4.607 -7.306 10.428 1.00 0.00 C ATOM 963 C CYS A 63 6.071 -6.915 10.255 1.00 0.00 C ATOM 964 O CYS A 63 6.951 -7.362 10.991 1.00 0.00 O ATOM 965 CB CYS A 63 4.052 -6.693 11.715 1.00 0.00 C ATOM 966 SG CYS A 63 4.326 -4.898 11.862 1.00 0.00 S ATOM 0 H CYS A 63 4.521 -9.171 11.381 1.00 0.00 H new ATOM 0 HA CYS A 63 4.044 -6.921 9.578 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.982 -6.892 11.767 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.511 -7.191 12.569 1.00 0.00 H new ATOM 0 HG CYS A 63 4.925 -4.462 10.794 1.00 0.00 H new ATOM 971 N PRO A 64 6.341 -6.059 9.258 1.00 0.00 N ATOM 972 CA PRO A 64 7.698 -5.587 8.965 1.00 0.00 C ATOM 973 C PRO A 64 8.232 -4.652 10.044 1.00 0.00 C ATOM 974 O PRO A 64 9.283 -4.032 9.876 1.00 0.00 O ATOM 975 CB PRO A 64 7.534 -4.837 7.640 1.00 0.00 C ATOM 976 CG PRO A 64 6.108 -4.409 7.621 1.00 0.00 C ATOM 977 CD PRO A 64 5.342 -5.485 8.340 1.00 0.00 C ATOM 0 HA PRO A 64 8.414 -6.407 8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.205 -3.980 7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.766 -5.479 6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.983 -3.445 8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.749 -4.292 6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.487 -5.077 8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.955 -6.233 7.648 1.00 0.00 H new ATOM 985 N ILE A 65 7.503 -4.554 11.150 1.00 0.00 N ATOM 986 CA ILE A 65 7.905 -3.695 12.257 1.00 0.00 C ATOM 987 C ILE A 65 8.165 -4.511 13.519 1.00 0.00 C ATOM 988 O ILE A 65 9.286 -4.546 14.029 1.00 0.00 O ATOM 989 CB ILE A 65 6.836 -2.629 12.559 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.532 -1.810 11.303 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.298 -1.722 13.691 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.645 -0.612 11.563 1.00 0.00 C ATOM 0 H ILE A 65 6.630 -5.059 11.304 1.00 0.00 H new ATOM 0 HA ILE A 65 8.826 -3.198 11.953 1.00 0.00 H new ATOM 0 HB ILE A 65 5.921 -3.131 12.872 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.470 -1.469 10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.052 -2.454 10.566 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.532 -0.973 13.893 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.469 -2.318 14.588 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.224 -1.225 13.404 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.471 -0.078 10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.692 -0.947 11.972 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.132 0.053 12.276 1.00 0.00 H new ATOM 1004 N CYS A 66 7.123 -5.167 14.018 1.00 0.00 N ATOM 1005 CA CYS A 66 7.238 -5.984 15.220 1.00 0.00 C ATOM 1006 C CYS A 66 7.173 -7.469 14.876 1.00 0.00 C ATOM 1007 O CYS A 66 6.821 -8.297 15.717 1.00 0.00 O ATOM 1008 CB CYS A 66 6.128 -5.629 16.211 1.00 0.00 C ATOM 1009 SG CYS A 66 4.445 -5.914 15.574 1.00 0.00 S ATOM 0 H CYS A 66 6.189 -5.149 13.608 1.00 0.00 H new ATOM 0 HA CYS A 66 8.205 -5.778 15.679 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.265 -6.215 17.120 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.227 -4.580 16.490 1.00 0.00 H new ATOM 0 HG CYS A 66 4.386 -5.553 14.326 1.00 0.00 H new ATOM 1014 N ARG A 67 7.514 -7.799 13.635 1.00 0.00 N ATOM 1015 CA ARG A 67 7.494 -9.184 13.179 1.00 0.00 C ATOM 1016 C ARG A 67 6.298 -9.931 13.763 1.00 0.00 C ATOM 1017 O ARG A 67 6.332 -11.151 13.921 1.00 0.00 O ATOM 1018 CB ARG A 67 8.792 -9.892 13.572 1.00 0.00 C ATOM 1019 CG ARG A 67 9.963 -9.567 12.660 1.00 0.00 C ATOM 1020 CD ARG A 67 11.223 -10.302 13.087 1.00 0.00 C ATOM 1021 NE ARG A 67 12.404 -9.827 12.371 1.00 0.00 N ATOM 1022 CZ ARG A 67 13.646 -9.985 12.815 1.00 0.00 C ATOM 1023 NH1 ARG A 67 13.868 -10.602 13.968 1.00 0.00 N ATOM 1024 NH2 ARG A 67 14.669 -9.525 12.106 1.00 0.00 N ATOM 0 H ARG A 67 7.808 -7.126 12.927 1.00 0.00 H new ATOM 0 HA ARG A 67 7.404 -9.181 12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.051 -9.616 14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.625 -10.969 13.565 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.713 -9.838 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.146 -8.493 12.670 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.373 -10.172 14.159 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.097 -11.370 12.910 1.00 0.00 H new ATOM 0 HE ARG A 67 12.268 -9.348 11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.084 -10.956 14.516 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.823 -10.722 14.307 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.502 -9.050 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.622 -9.647 12.448 1.00 0.00 H new ATOM 1038 N ALA A 68 5.242 -9.189 14.082 1.00 0.00 N ATOM 1039 CA ALA A 68 4.036 -9.781 14.647 1.00 0.00 C ATOM 1040 C ALA A 68 3.233 -10.516 13.579 1.00 0.00 C ATOM 1041 O ALA A 68 2.970 -9.975 12.505 1.00 0.00 O ATOM 1042 CB ALA A 68 3.182 -8.709 15.308 1.00 0.00 C ATOM 0 H ALA A 68 5.198 -8.177 13.959 1.00 0.00 H new ATOM 0 HA ALA A 68 4.337 -10.507 15.402 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.284 -9.165 15.726 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.751 -8.231 16.105 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.898 -7.962 14.567 1.00 0.00 H new ATOM 1048 N ASP A 69 2.847 -11.751 13.881 1.00 0.00 N ATOM 1049 CA ASP A 69 2.074 -12.560 12.947 1.00 0.00 C ATOM 1050 C ASP A 69 0.748 -11.884 12.610 1.00 0.00 C ATOM 1051 O ASP A 69 -0.086 -11.660 13.487 1.00 0.00 O ATOM 1052 CB ASP A 69 1.817 -13.949 13.533 1.00 0.00 C ATOM 1053 CG ASP A 69 1.139 -14.878 12.546 1.00 0.00 C ATOM 1054 OD1 ASP A 69 1.541 -14.884 11.363 1.00 0.00 O ATOM 1055 OD2 ASP A 69 0.206 -15.600 12.956 1.00 0.00 O ATOM 0 H ASP A 69 3.057 -12.213 14.766 1.00 0.00 H new ATOM 0 HA ASP A 69 2.653 -12.663 12.029 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.764 -14.388 13.849 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.196 -13.855 14.424 1.00 0.00 H new ATOM 1060 N SER A 70 0.562 -11.560 11.335 1.00 0.00 N ATOM 1061 CA SER A 70 -0.660 -10.905 10.883 1.00 0.00 C ATOM 1062 C SER A 70 -1.777 -11.923 10.675 1.00 0.00 C ATOM 1063 O SER A 70 -2.497 -11.876 9.679 1.00 0.00 O ATOM 1064 CB SER A 70 -0.403 -10.140 9.583 1.00 0.00 C ATOM 1065 OG SER A 70 0.148 -10.990 8.591 1.00 0.00 O ATOM 0 H SER A 70 1.242 -11.740 10.596 1.00 0.00 H new ATOM 0 HA SER A 70 -0.972 -10.201 11.655 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.336 -9.710 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.277 -9.310 9.774 1.00 0.00 H new ATOM 0 HG SER A 70 -0.558 -11.272 7.973 1.00 0.00 H new