USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=13 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= -0.694 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.103 K(o=-5.8,f=-6.8) USER MOD Set 1.3: A 63 CYS SG : rot 5:sc= -1.37 USER MOD Set 1.4: A 66 CYS SG : rot -38:sc= -3.6! USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= 0.17 USER MOD Set 2.2: A 29 CYS SG : rot -57:sc= -0.834 USER MOD Set 2.3: A 49 HIS : no HD1:sc= -0.946 K(o=-2.9,f=-2.1) USER MOD Set 2.4: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.5: A 52 CYS SG : rot 170:sc= -1.32! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 51:sc= 1.2 USER MOD Single : A 30 MET CE :methyl -178:sc= -3.19! (180deg=-3.23!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.258 K(o=-0.26,f=0.95) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=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 -170:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.745 2.702 5.357 1.00 0.00 N ATOM 128 CA TYR A 12 -10.119 4.074 5.682 1.00 0.00 C ATOM 129 C TYR A 12 -9.056 5.057 5.200 1.00 0.00 C ATOM 130 O TYR A 12 -7.901 4.687 4.993 1.00 0.00 O ATOM 131 CB TYR A 12 -10.323 4.225 7.191 1.00 0.00 C ATOM 132 CG TYR A 12 -9.071 4.635 7.933 1.00 0.00 C ATOM 133 CD1 TYR A 12 -8.136 3.689 8.334 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.822 5.969 8.232 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.991 4.060 9.013 1.00 0.00 C ATOM 136 CE2 TYR A 12 -7.680 6.349 8.909 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.768 5.390 9.298 1.00 0.00 C ATOM 138 OH TYR A 12 -5.628 5.764 9.973 1.00 0.00 O ATOM 0 HA TYR A 12 -11.055 4.300 5.171 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.101 4.966 7.372 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.683 3.280 7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.307 2.646 8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.534 6.722 7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.275 3.312 9.319 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.502 7.391 9.133 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.623 6.737 10.093 1.00 0.00 H new ATOM 148 N ARG A 13 -9.457 6.312 5.025 1.00 0.00 N ATOM 149 CA ARG A 13 -8.540 7.349 4.568 1.00 0.00 C ATOM 150 C ARG A 13 -7.803 7.981 5.744 1.00 0.00 C ATOM 151 O ARG A 13 -8.386 8.214 6.803 1.00 0.00 O ATOM 152 CB ARG A 13 -9.302 8.426 3.792 1.00 0.00 C ATOM 153 CG ARG A 13 -10.069 7.887 2.596 1.00 0.00 C ATOM 154 CD ARG A 13 -10.460 9.001 1.637 1.00 0.00 C ATOM 155 NE ARG A 13 -11.757 9.582 1.972 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.910 8.939 1.827 1.00 0.00 C ATOM 157 NH1 ARG A 13 -12.927 7.699 1.356 1.00 0.00 N ATOM 158 NH2 ARG A 13 -14.049 9.535 2.155 1.00 0.00 N ATOM 0 H ARG A 13 -10.410 6.635 5.193 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.806 6.885 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.000 8.923 4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.596 9.183 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.458 7.152 2.072 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.965 7.370 2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.698 9.780 1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.490 8.610 0.620 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.779 10.534 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.053 7.237 1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.814 7.207 1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.040 10.488 2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.934 9.040 2.043 1.00 0.00 H new ATOM 172 N PHE A 14 -6.517 8.255 5.552 1.00 0.00 N ATOM 173 CA PHE A 14 -5.699 8.859 6.597 1.00 0.00 C ATOM 174 C PHE A 14 -6.420 10.041 7.238 1.00 0.00 C ATOM 175 O PHE A 14 -6.739 11.023 6.570 1.00 0.00 O ATOM 176 CB PHE A 14 -4.356 9.316 6.023 1.00 0.00 C ATOM 177 CG PHE A 14 -3.481 10.012 7.027 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.806 11.276 7.491 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.333 9.401 7.506 1.00 0.00 C ATOM 180 CE1 PHE A 14 -3.003 11.918 8.414 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.527 10.038 8.429 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.861 11.299 8.884 1.00 0.00 C ATOM 0 H PHE A 14 -6.019 8.068 4.682 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.521 8.106 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.825 8.450 5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.538 9.988 5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.697 11.765 7.127 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.066 8.416 7.154 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.268 12.903 8.768 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.636 9.550 8.795 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.231 11.799 9.605 1.00 0.00 H new ATOM 326 N THR A 24 3.723 7.861 12.934 1.00 0.00 N ATOM 327 CA THR A 24 3.058 7.139 11.857 1.00 0.00 C ATOM 328 C THR A 24 3.866 7.209 10.566 1.00 0.00 C ATOM 329 O THR A 24 3.828 8.212 9.852 1.00 0.00 O ATOM 330 CB THR A 24 1.646 7.695 11.596 1.00 0.00 C ATOM 331 OG1 THR A 24 1.733 9.017 11.052 1.00 0.00 O ATOM 332 CG2 THR A 24 0.829 7.723 12.880 1.00 0.00 C ATOM 0 HA THR A 24 2.978 6.100 12.176 1.00 0.00 H new ATOM 0 HB THR A 24 1.148 7.040 10.881 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.348 9.017 10.289 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.164 8.120 12.671 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.740 6.712 13.277 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.326 8.358 13.614 1.00 0.00 H new ATOM 340 N LEU A 25 4.596 6.140 10.272 1.00 0.00 N ATOM 341 CA LEU A 25 5.414 6.080 9.065 1.00 0.00 C ATOM 342 C LEU A 25 5.409 4.674 8.472 1.00 0.00 C ATOM 343 O LEU A 25 5.447 3.682 9.201 1.00 0.00 O ATOM 344 CB LEU A 25 6.849 6.509 9.376 1.00 0.00 C ATOM 345 CG LEU A 25 7.833 6.458 8.206 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.953 7.467 8.407 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.399 5.055 8.046 1.00 0.00 C ATOM 0 H LEU A 25 4.639 5.302 10.852 1.00 0.00 H new ATOM 0 HA LEU A 25 4.987 6.765 8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.827 7.528 9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.232 5.874 10.175 1.00 0.00 H new ATOM 0 HG LEU A 25 7.297 6.718 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.644 7.417 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.532 8.470 8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.488 7.238 9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.097 5.038 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.920 4.766 8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.586 4.354 7.855 1.00 0.00 H new ATOM 359 N CYS A 26 5.363 4.597 7.147 1.00 0.00 N ATOM 360 CA CYS A 26 5.354 3.313 6.455 1.00 0.00 C ATOM 361 C CYS A 26 6.723 2.643 6.536 1.00 0.00 C ATOM 362 O CYS A 26 7.624 2.950 5.756 1.00 0.00 O ATOM 363 CB CYS A 26 4.953 3.502 4.991 1.00 0.00 C ATOM 364 SG CYS A 26 4.641 1.945 4.099 1.00 0.00 S ATOM 0 H CYS A 26 5.331 5.409 6.530 1.00 0.00 H new ATOM 0 HA CYS A 26 4.623 2.669 6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.056 4.119 4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.742 4.051 4.477 1.00 0.00 H new ATOM 0 HG CYS A 26 3.675 1.298 4.681 1.00 0.00 H new ATOM 369 N VAL A 27 6.870 1.725 7.486 1.00 0.00 N ATOM 370 CA VAL A 27 8.127 1.009 7.669 1.00 0.00 C ATOM 371 C VAL A 27 8.578 0.349 6.371 1.00 0.00 C ATOM 372 O VAL A 27 9.774 0.239 6.100 1.00 0.00 O ATOM 373 CB VAL A 27 8.006 -0.067 8.764 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.571 -1.395 8.163 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.323 -0.217 9.511 1.00 0.00 C ATOM 0 H VAL A 27 6.134 1.460 8.141 1.00 0.00 H new ATOM 0 HA VAL A 27 8.869 1.746 7.975 1.00 0.00 H new ATOM 0 HB VAL A 27 7.244 0.249 9.476 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.491 -2.143 8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.603 -1.275 7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.307 -1.720 7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.219 -0.981 10.281 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.106 -0.510 8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.588 0.733 9.976 1.00 0.00 H new ATOM 385 N VAL A 28 7.612 -0.089 5.570 1.00 0.00 N ATOM 386 CA VAL A 28 7.908 -0.738 4.298 1.00 0.00 C ATOM 387 C VAL A 28 8.751 0.165 3.404 1.00 0.00 C ATOM 388 O VAL A 28 9.915 -0.127 3.129 1.00 0.00 O ATOM 389 CB VAL A 28 6.618 -1.122 3.550 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.948 -1.857 2.259 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.719 -1.968 4.439 1.00 0.00 C ATOM 0 H VAL A 28 6.617 -0.006 5.779 1.00 0.00 H new ATOM 0 HA VAL A 28 8.469 -1.644 4.528 1.00 0.00 H new ATOM 0 HB VAL A 28 6.082 -0.208 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.024 -2.120 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.550 -1.213 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.506 -2.764 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.812 -2.230 3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.245 -2.878 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.455 -1.403 5.333 1.00 0.00 H new ATOM 401 N CYS A 29 8.156 1.265 2.954 1.00 0.00 N ATOM 402 CA CYS A 29 8.851 2.212 2.091 1.00 0.00 C ATOM 403 C CYS A 29 9.384 3.393 2.897 1.00 0.00 C ATOM 404 O CYS A 29 9.606 4.476 2.358 1.00 0.00 O ATOM 405 CB CYS A 29 7.914 2.714 0.990 1.00 0.00 C ATOM 406 SG CYS A 29 6.560 3.773 1.592 1.00 0.00 S ATOM 0 H CYS A 29 7.194 1.522 3.173 1.00 0.00 H new ATOM 0 HA CYS A 29 9.695 1.696 1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.498 3.271 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.487 1.855 0.472 1.00 0.00 H new ATOM 0 HG CYS A 29 5.870 3.129 2.485 1.00 0.00 H new ATOM 411 N MET A 30 9.586 3.175 4.193 1.00 0.00 N ATOM 412 CA MET A 30 10.095 4.220 5.073 1.00 0.00 C ATOM 413 C MET A 30 9.581 5.590 4.643 1.00 0.00 C ATOM 414 O MET A 30 10.351 6.545 4.532 1.00 0.00 O ATOM 415 CB MET A 30 11.624 4.214 5.077 1.00 0.00 C ATOM 416 CG MET A 30 12.226 2.943 5.654 1.00 0.00 C ATOM 417 SD MET A 30 12.627 3.097 7.405 1.00 0.00 S ATOM 418 CE MET A 30 11.160 2.393 8.152 1.00 0.00 C ATOM 0 H MET A 30 9.405 2.284 4.656 1.00 0.00 H new ATOM 0 HA MET A 30 9.736 4.017 6.082 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.982 4.345 4.056 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.981 5.069 5.652 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.526 2.119 5.517 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.129 2.689 5.099 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.241 2.450 9.237 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.282 2.950 7.824 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.062 1.350 7.849 1.00 0.00 H new ATOM 428 N CYS A 31 8.278 5.680 4.402 1.00 0.00 N ATOM 429 CA CYS A 31 7.661 6.934 3.983 1.00 0.00 C ATOM 430 C CYS A 31 6.433 7.246 4.832 1.00 0.00 C ATOM 431 O CYS A 31 5.620 6.366 5.113 1.00 0.00 O ATOM 432 CB CYS A 31 7.272 6.866 2.506 1.00 0.00 C ATOM 433 SG CYS A 31 6.917 8.475 1.762 1.00 0.00 S ATOM 0 H CYS A 31 7.628 4.899 4.490 1.00 0.00 H new ATOM 0 HA CYS A 31 8.389 7.733 4.123 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.080 6.391 1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.395 6.228 2.401 1.00 0.00 H new ATOM 0 HG CYS A 31 6.600 8.314 0.512 1.00 0.00 H new ATOM 439 N ASP A 32 6.307 8.505 5.238 1.00 0.00 N ATOM 440 CA ASP A 32 5.178 8.934 6.056 1.00 0.00 C ATOM 441 C ASP A 32 3.863 8.752 5.305 1.00 0.00 C ATOM 442 O ASP A 32 3.852 8.390 4.128 1.00 0.00 O ATOM 443 CB ASP A 32 5.346 10.397 6.467 1.00 0.00 C ATOM 444 CG ASP A 32 5.488 11.321 5.274 1.00 0.00 C ATOM 445 OD1 ASP A 32 4.512 11.452 4.506 1.00 0.00 O ATOM 446 OD2 ASP A 32 6.575 11.913 5.107 1.00 0.00 O ATOM 0 H ASP A 32 6.972 9.246 5.014 1.00 0.00 H new ATOM 0 HA ASP A 32 5.153 8.313 6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.486 10.705 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.225 10.494 7.104 1.00 0.00 H new ATOM 451 N PHE A 33 2.754 9.004 5.994 1.00 0.00 N ATOM 452 CA PHE A 33 1.433 8.865 5.393 1.00 0.00 C ATOM 453 C PHE A 33 0.838 10.232 5.066 1.00 0.00 C ATOM 454 O PHE A 33 1.058 11.204 5.788 1.00 0.00 O ATOM 455 CB PHE A 33 0.499 8.102 6.334 1.00 0.00 C ATOM 456 CG PHE A 33 1.093 6.829 6.865 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.389 5.778 6.012 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.354 6.683 8.218 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.936 4.605 6.498 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.901 5.512 8.709 1.00 0.00 C ATOM 461 CZ PHE A 33 2.191 4.472 7.848 1.00 0.00 C ATOM 0 H PHE A 33 2.745 9.305 6.968 1.00 0.00 H new ATOM 0 HA PHE A 33 1.541 8.303 4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.234 8.747 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.426 7.870 5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.190 5.876 4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.128 7.492 8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.163 3.794 5.822 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.101 5.411 9.765 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.617 3.556 8.230 1.00 0.00 H new ATOM 471 N GLU A 34 0.085 10.297 3.973 1.00 0.00 N ATOM 472 CA GLU A 34 -0.540 11.545 3.549 1.00 0.00 C ATOM 473 C GLU A 34 -2.053 11.486 3.736 1.00 0.00 C ATOM 474 O GLU A 34 -2.679 10.454 3.496 1.00 0.00 O ATOM 475 CB GLU A 34 -0.207 11.837 2.085 1.00 0.00 C ATOM 476 CG GLU A 34 -0.735 13.175 1.596 1.00 0.00 C ATOM 477 CD GLU A 34 0.255 14.304 1.801 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.409 14.174 1.340 1.00 0.00 O ATOM 479 OE2 GLU A 34 -0.123 15.319 2.423 1.00 0.00 O ATOM 0 H GLU A 34 -0.107 9.501 3.365 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.145 12.349 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.875 11.814 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.620 11.043 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.979 13.099 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.661 13.409 2.121 1.00 0.00 H new ATOM 486 N SER A 35 -2.634 12.601 4.166 1.00 0.00 N ATOM 487 CA SER A 35 -4.073 12.676 4.390 1.00 0.00 C ATOM 488 C SER A 35 -4.840 12.277 3.133 1.00 0.00 C ATOM 489 O SER A 35 -4.349 12.438 2.016 1.00 0.00 O ATOM 490 CB SER A 35 -4.472 14.091 4.816 1.00 0.00 C ATOM 491 OG SER A 35 -4.066 15.047 3.853 1.00 0.00 O ATOM 0 H SER A 35 -2.130 13.465 4.366 1.00 0.00 H new ATOM 0 HA SER A 35 -4.328 11.978 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.552 14.142 4.951 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.019 14.325 5.779 1.00 0.00 H new ATOM 0 HG SER A 35 -4.334 15.942 4.148 1.00 0.00 H new ATOM 497 N ARG A 36 -6.047 11.755 3.324 1.00 0.00 N ATOM 498 CA ARG A 36 -6.882 11.331 2.207 1.00 0.00 C ATOM 499 C ARG A 36 -6.210 10.210 1.420 1.00 0.00 C ATOM 500 O ARG A 36 -6.024 10.315 0.208 1.00 0.00 O ATOM 501 CB ARG A 36 -7.172 12.514 1.282 1.00 0.00 C ATOM 502 CG ARG A 36 -8.189 13.494 1.846 1.00 0.00 C ATOM 503 CD ARG A 36 -7.516 14.585 2.664 1.00 0.00 C ATOM 504 NE ARG A 36 -8.485 15.394 3.399 1.00 0.00 N ATOM 505 CZ ARG A 36 -9.041 15.016 4.544 1.00 0.00 C ATOM 506 NH1 ARG A 36 -8.725 13.847 5.084 1.00 0.00 N ATOM 507 NH2 ARG A 36 -9.914 15.808 5.153 1.00 0.00 N ATOM 0 H ARG A 36 -6.469 11.616 4.242 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.822 10.955 2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.241 13.045 1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.535 12.136 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.753 13.945 1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.905 12.959 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.815 14.132 3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.935 15.227 2.003 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.749 16.300 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.053 13.236 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.154 13.559 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.159 16.709 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.340 15.516 6.033 1.00 0.00 H new ATOM 521 N GLN A 37 -5.847 9.139 2.119 1.00 0.00 N ATOM 522 CA GLN A 37 -5.194 7.999 1.486 1.00 0.00 C ATOM 523 C GLN A 37 -5.624 6.692 2.142 1.00 0.00 C ATOM 524 O GLN A 37 -5.703 6.596 3.368 1.00 0.00 O ATOM 525 CB GLN A 37 -3.674 8.147 1.565 1.00 0.00 C ATOM 526 CG GLN A 37 -3.161 9.467 1.010 1.00 0.00 C ATOM 527 CD GLN A 37 -3.007 9.445 -0.498 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.994 9.438 -1.234 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.765 9.434 -0.967 1.00 0.00 N ATOM 0 H GLN A 37 -5.994 9.037 3.123 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.496 7.975 0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.362 8.054 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.209 7.327 1.018 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.848 10.266 1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.199 9.699 1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.976 9.440 -0.321 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.600 9.419 -1.973 1.00 0.00 H new ATOM 538 N LEU A 38 -5.901 5.686 1.320 1.00 0.00 N ATOM 539 CA LEU A 38 -6.324 4.383 1.820 1.00 0.00 C ATOM 540 C LEU A 38 -5.156 3.640 2.461 1.00 0.00 C ATOM 541 O LEU A 38 -4.306 3.082 1.767 1.00 0.00 O ATOM 542 CB LEU A 38 -6.914 3.545 0.684 1.00 0.00 C ATOM 543 CG LEU A 38 -7.801 2.373 1.105 1.00 0.00 C ATOM 544 CD1 LEU A 38 -9.154 2.874 1.587 1.00 0.00 C ATOM 545 CD2 LEU A 38 -7.974 1.394 -0.047 1.00 0.00 C ATOM 0 H LEU A 38 -5.840 5.748 0.304 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.089 4.544 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.497 4.203 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.093 3.155 0.083 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.314 1.852 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.772 2.026 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.014 3.536 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.648 3.420 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.608 0.566 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.439 1.904 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.999 1.010 -0.347 1.00 0.00 H new ATOM 557 N LEU A 39 -5.122 3.637 3.789 1.00 0.00 N ATOM 558 CA LEU A 39 -4.059 2.961 4.525 1.00 0.00 C ATOM 559 C LEU A 39 -4.613 1.786 5.325 1.00 0.00 C ATOM 560 O LEU A 39 -5.752 1.822 5.792 1.00 0.00 O ATOM 561 CB LEU A 39 -3.356 3.944 5.463 1.00 0.00 C ATOM 562 CG LEU A 39 -3.095 5.341 4.897 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.729 6.308 6.012 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.995 5.294 3.847 1.00 0.00 C ATOM 0 H LEU A 39 -5.818 4.095 4.378 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.338 2.578 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.957 4.046 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.402 3.511 5.762 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.009 5.696 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.547 7.297 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.548 6.364 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.829 5.957 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.823 6.297 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.077 4.918 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.296 4.634 3.034 1.00 0.00 H new ATOM 576 N ARG A 40 -3.799 0.747 5.481 1.00 0.00 N ATOM 577 CA ARG A 40 -4.207 -0.439 6.225 1.00 0.00 C ATOM 578 C ARG A 40 -3.483 -0.514 7.566 1.00 0.00 C ATOM 579 O ARG A 40 -2.254 -0.532 7.620 1.00 0.00 O ATOM 580 CB ARG A 40 -3.925 -1.701 5.409 1.00 0.00 C ATOM 581 CG ARG A 40 -4.917 -1.931 4.281 1.00 0.00 C ATOM 582 CD ARG A 40 -6.167 -2.643 4.774 1.00 0.00 C ATOM 583 NE ARG A 40 -6.875 -3.320 3.691 1.00 0.00 N ATOM 584 CZ ARG A 40 -6.382 -4.361 3.028 1.00 0.00 C ATOM 585 NH1 ARG A 40 -5.186 -4.842 3.337 1.00 0.00 N ATOM 586 NH2 ARG A 40 -7.086 -4.923 2.054 1.00 0.00 N ATOM 0 H ARG A 40 -2.853 0.702 5.102 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.278 -0.369 6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.921 -1.636 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.938 -2.564 6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.193 -0.974 3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.446 -2.522 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.892 -3.371 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.833 -1.921 5.247 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.798 -2.975 3.429 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.642 -4.413 4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.810 -5.641 2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.007 -4.556 1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.706 -5.722 1.546 1.00 0.00 H new ATOM 600 N VAL A 41 -4.255 -0.558 8.648 1.00 0.00 N ATOM 601 CA VAL A 41 -3.688 -0.633 9.989 1.00 0.00 C ATOM 602 C VAL A 41 -3.572 -2.079 10.457 1.00 0.00 C ATOM 603 O VAL A 41 -4.578 -2.763 10.651 1.00 0.00 O ATOM 604 CB VAL A 41 -4.538 0.157 11.002 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.880 0.147 12.374 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.757 1.582 10.517 1.00 0.00 C ATOM 0 H VAL A 41 -5.275 -0.543 8.621 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.693 -0.191 9.937 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.511 -0.326 11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.495 0.710 13.076 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.780 -0.881 12.722 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.893 0.605 12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.359 2.126 11.245 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.794 2.079 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.275 1.564 9.558 1.00 0.00 H new ATOM 616 N LEU A 42 -2.339 -2.539 10.638 1.00 0.00 N ATOM 617 CA LEU A 42 -2.091 -3.906 11.085 1.00 0.00 C ATOM 618 C LEU A 42 -2.748 -4.165 12.437 1.00 0.00 C ATOM 619 O LEU A 42 -3.042 -3.243 13.199 1.00 0.00 O ATOM 620 CB LEU A 42 -0.586 -4.167 11.178 1.00 0.00 C ATOM 621 CG LEU A 42 0.132 -4.434 9.855 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.582 -4.819 10.102 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.584 -5.524 9.070 1.00 0.00 C ATOM 0 H LEU A 42 -1.496 -1.986 10.482 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.528 -4.586 10.354 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.117 -3.307 11.656 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.426 -5.022 11.834 1.00 0.00 H new ATOM 0 HG LEU A 42 0.116 -3.518 9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.076 -5.005 9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.090 -4.007 10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.620 -5.721 10.713 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.059 -5.701 8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.600 -6.443 9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.606 -5.210 8.860 1.00 0.00 H new ATOM 635 N PRO A 43 -2.982 -5.449 12.745 1.00 0.00 N ATOM 636 CA PRO A 43 -3.604 -5.859 14.007 1.00 0.00 C ATOM 637 C PRO A 43 -2.687 -5.638 15.205 1.00 0.00 C ATOM 638 O PRO A 43 -3.003 -6.039 16.325 1.00 0.00 O ATOM 639 CB PRO A 43 -3.866 -7.354 13.804 1.00 0.00 C ATOM 640 CG PRO A 43 -2.859 -7.781 12.793 1.00 0.00 C ATOM 641 CD PRO A 43 -2.657 -6.599 11.885 1.00 0.00 C ATOM 0 HA PRO A 43 -4.501 -5.280 14.225 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.750 -7.906 14.736 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.882 -7.534 13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.923 -8.070 13.272 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.211 -8.647 12.233 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.633 -6.547 11.515 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.309 -6.646 11.013 1.00 0.00 H new ATOM 649 N CYS A 44 -1.549 -4.995 14.962 1.00 0.00 N ATOM 650 CA CYS A 44 -0.585 -4.719 16.020 1.00 0.00 C ATOM 651 C CYS A 44 -0.466 -3.219 16.270 1.00 0.00 C ATOM 652 O CYS A 44 0.543 -2.744 16.790 1.00 0.00 O ATOM 653 CB CYS A 44 0.784 -5.297 15.655 1.00 0.00 C ATOM 654 SG CYS A 44 1.231 -5.098 13.900 1.00 0.00 S ATOM 0 H CYS A 44 -1.272 -4.655 14.041 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.941 -5.194 16.934 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.545 -4.816 16.270 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.797 -6.358 15.904 1.00 0.00 H new ATOM 0 HG CYS A 44 2.074 -4.116 13.776 1.00 0.00 H new ATOM 659 N ASN A 45 -1.503 -2.478 15.895 1.00 0.00 N ATOM 660 CA ASN A 45 -1.515 -1.031 16.078 1.00 0.00 C ATOM 661 C ASN A 45 -0.407 -0.371 15.263 1.00 0.00 C ATOM 662 O ASN A 45 0.403 0.387 15.797 1.00 0.00 O ATOM 663 CB ASN A 45 -1.352 -0.682 17.558 1.00 0.00 C ATOM 664 CG ASN A 45 -2.668 -0.727 18.311 1.00 0.00 C ATOM 665 OD1 ASN A 45 -3.330 0.296 18.489 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.053 -1.917 18.758 1.00 0.00 N ATOM 0 H ASN A 45 -2.346 -2.855 15.462 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.475 -0.653 15.726 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.650 -1.378 18.017 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.919 0.314 17.648 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.929 -2.010 19.272 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.473 -2.738 18.587 1.00 0.00 H new ATOM 673 N HIS A 46 -0.379 -0.663 13.967 1.00 0.00 N ATOM 674 CA HIS A 46 0.629 -0.097 13.077 1.00 0.00 C ATOM 675 C HIS A 46 0.005 0.334 11.753 1.00 0.00 C ATOM 676 O HIS A 46 -0.807 -0.388 11.176 1.00 0.00 O ATOM 677 CB HIS A 46 1.744 -1.112 12.823 1.00 0.00 C ATOM 678 CG HIS A 46 2.750 -1.187 13.929 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.405 -2.350 14.274 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.215 -0.233 14.769 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.228 -2.109 15.279 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.131 -0.831 15.598 1.00 0.00 N ATOM 0 H HIS A 46 -1.042 -1.288 13.509 1.00 0.00 H new ATOM 0 HA HIS A 46 1.053 0.783 13.562 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.301 -2.097 12.679 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.255 -0.853 11.895 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.920 0.806 14.784 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.870 -2.833 15.758 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.652 -0.364 16.340 1.00 0.00 H new ATOM 690 N GLU A 47 0.390 1.515 11.279 1.00 0.00 N ATOM 691 CA GLU A 47 -0.134 2.041 10.024 1.00 0.00 C ATOM 692 C GLU A 47 0.754 1.635 8.851 1.00 0.00 C ATOM 693 O GLU A 47 1.976 1.560 8.980 1.00 0.00 O ATOM 694 CB GLU A 47 -0.243 3.566 10.091 1.00 0.00 C ATOM 695 CG GLU A 47 -1.032 4.067 11.289 1.00 0.00 C ATOM 696 CD GLU A 47 -1.746 5.376 11.012 1.00 0.00 C ATOM 697 OE1 GLU A 47 -2.254 5.546 9.884 1.00 0.00 O ATOM 698 OE2 GLU A 47 -1.795 6.230 11.921 1.00 0.00 O ATOM 0 H GLU A 47 1.062 2.125 11.745 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.127 1.619 9.869 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.760 3.993 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.715 3.929 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.764 3.313 11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.357 4.198 12.135 1.00 0.00 H new ATOM 705 N PHE A 48 0.130 1.374 7.708 1.00 0.00 N ATOM 706 CA PHE A 48 0.862 0.974 6.512 1.00 0.00 C ATOM 707 C PHE A 48 0.131 1.424 5.250 1.00 0.00 C ATOM 708 O PHE A 48 -1.017 1.867 5.309 1.00 0.00 O ATOM 709 CB PHE A 48 1.053 -0.544 6.489 1.00 0.00 C ATOM 710 CG PHE A 48 1.864 -1.064 7.642 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.247 -1.085 7.580 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.241 -1.532 8.788 1.00 0.00 C ATOM 713 CE1 PHE A 48 3.996 -1.562 8.639 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.984 -2.010 9.851 1.00 0.00 C ATOM 715 CZ PHE A 48 3.363 -2.026 9.776 1.00 0.00 C ATOM 0 H PHE A 48 -0.881 1.432 7.584 1.00 0.00 H new ATOM 0 HA PHE A 48 1.839 1.457 6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.075 -1.025 6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.540 -0.827 5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.747 -0.724 6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.163 -1.523 8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.074 -1.572 8.578 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.487 -2.371 10.739 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.945 -2.401 10.605 1.00 0.00 H new ATOM 725 N HIS A 49 0.804 1.309 4.110 1.00 0.00 N ATOM 726 CA HIS A 49 0.219 1.704 2.834 1.00 0.00 C ATOM 727 C HIS A 49 -0.567 0.551 2.216 1.00 0.00 C ATOM 728 O HIS A 49 -0.016 -0.517 1.952 1.00 0.00 O ATOM 729 CB HIS A 49 1.312 2.166 1.869 1.00 0.00 C ATOM 730 CG HIS A 49 1.662 3.615 2.011 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.952 4.091 1.907 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.882 4.696 2.247 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.950 5.402 2.076 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.706 5.793 2.283 1.00 0.00 N ATOM 0 H HIS A 49 1.755 0.946 4.044 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.467 2.531 3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.207 1.567 2.033 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.986 1.978 0.846 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.190 4.695 2.382 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.818 6.044 2.049 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.406 6.755 2.444 1.00 0.00 H new ATOM 742 N ALA A 50 -1.857 0.776 1.989 1.00 0.00 N ATOM 743 CA ALA A 50 -2.718 -0.243 1.402 1.00 0.00 C ATOM 744 C ALA A 50 -2.002 -0.986 0.279 1.00 0.00 C ATOM 745 O ALA A 50 -2.306 -2.145 -0.006 1.00 0.00 O ATOM 746 CB ALA A 50 -4.003 0.386 0.885 1.00 0.00 C ATOM 0 H ALA A 50 -2.329 1.655 2.203 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.967 -0.965 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.637 -0.387 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.531 0.866 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.764 1.130 0.125 1.00 0.00 H new ATOM 752 N LYS A 51 -1.049 -0.313 -0.356 1.00 0.00 N ATOM 753 CA LYS A 51 -0.288 -0.908 -1.448 1.00 0.00 C ATOM 754 C LYS A 51 0.933 -1.653 -0.918 1.00 0.00 C ATOM 755 O LYS A 51 1.198 -2.790 -1.310 1.00 0.00 O ATOM 756 CB LYS A 51 0.151 0.171 -2.440 1.00 0.00 C ATOM 757 CG LYS A 51 0.938 1.301 -1.800 1.00 0.00 C ATOM 758 CD LYS A 51 1.288 2.380 -2.811 1.00 0.00 C ATOM 759 CE LYS A 51 2.123 3.484 -2.181 1.00 0.00 C ATOM 760 NZ LYS A 51 1.288 4.432 -1.394 1.00 0.00 N ATOM 0 H LYS A 51 -0.785 0.647 -0.133 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.934 -1.622 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.760 -0.289 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.731 0.585 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.356 1.737 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.852 0.904 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.836 1.937 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.373 2.805 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.879 3.042 -1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.653 4.029 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.895 5.169 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.583 4.874 -2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.802 3.917 -0.632 1.00 0.00 H new ATOM 774 N CYS A 52 1.672 -1.006 -0.023 1.00 0.00 N ATOM 775 CA CYS A 52 2.864 -1.607 0.562 1.00 0.00 C ATOM 776 C CYS A 52 2.512 -2.877 1.332 1.00 0.00 C ATOM 777 O CYS A 52 2.773 -3.988 0.870 1.00 0.00 O ATOM 778 CB CYS A 52 3.559 -0.611 1.493 1.00 0.00 C ATOM 779 SG CYS A 52 4.235 0.852 0.643 1.00 0.00 S ATOM 0 H CYS A 52 1.466 -0.065 0.313 1.00 0.00 H new ATOM 0 HA CYS A 52 3.542 -1.871 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.849 -0.282 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.368 -1.121 2.015 1.00 0.00 H new ATOM 0 HG CYS A 52 4.606 1.733 1.524 1.00 0.00 H new ATOM 784 N VAL A 53 1.916 -2.704 2.508 1.00 0.00 N ATOM 785 CA VAL A 53 1.526 -3.835 3.341 1.00 0.00 C ATOM 786 C VAL A 53 1.013 -4.992 2.491 1.00 0.00 C ATOM 787 O VAL A 53 1.314 -6.155 2.761 1.00 0.00 O ATOM 788 CB VAL A 53 0.439 -3.436 4.356 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.928 -3.401 3.689 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.440 -4.391 5.540 1.00 0.00 C ATOM 0 H VAL A 53 1.693 -1.791 2.905 1.00 0.00 H new ATOM 0 HA VAL A 53 2.418 -4.153 3.882 1.00 0.00 H new ATOM 0 HB VAL A 53 0.661 -2.435 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.683 -3.117 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.918 -2.673 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.163 -4.387 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.334 -4.094 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.243 -5.404 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.412 -4.360 6.032 1.00 0.00 H new ATOM 800 N ASP A 54 0.236 -4.666 1.464 1.00 0.00 N ATOM 801 CA ASP A 54 -0.319 -5.678 0.573 1.00 0.00 C ATOM 802 C ASP A 54 0.787 -6.545 -0.020 1.00 0.00 C ATOM 803 O ASP A 54 0.672 -7.770 -0.068 1.00 0.00 O ATOM 804 CB ASP A 54 -1.122 -5.016 -0.548 1.00 0.00 C ATOM 805 CG ASP A 54 -1.937 -6.016 -1.345 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.378 -6.625 -2.281 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.133 -6.190 -1.032 1.00 0.00 O ATOM 0 H ASP A 54 -0.024 -3.708 1.228 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.983 -6.316 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.789 -4.267 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.441 -4.491 -1.218 1.00 0.00 H new ATOM 812 N LYS A 55 1.858 -5.901 -0.472 1.00 0.00 N ATOM 813 CA LYS A 55 2.986 -6.612 -1.063 1.00 0.00 C ATOM 814 C LYS A 55 3.771 -7.368 0.004 1.00 0.00 C ATOM 815 O LYS A 55 4.155 -8.520 -0.195 1.00 0.00 O ATOM 816 CB LYS A 55 3.908 -5.632 -1.791 1.00 0.00 C ATOM 817 CG LYS A 55 5.219 -6.251 -2.243 1.00 0.00 C ATOM 818 CD LYS A 55 6.279 -6.164 -1.158 1.00 0.00 C ATOM 819 CE LYS A 55 7.663 -6.483 -1.703 1.00 0.00 C ATOM 820 NZ LYS A 55 8.258 -5.322 -2.420 1.00 0.00 N ATOM 0 H LYS A 55 1.969 -4.888 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 55 2.594 -7.333 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.386 -5.233 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.122 -4.790 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.056 -7.295 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.572 -5.743 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.279 -5.163 -0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.035 -6.858 -0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.317 -6.777 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.599 -7.334 -2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.201 -5.580 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.647 -5.057 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.343 -4.517 -1.767 1.00 0.00 H new ATOM 834 N TRP A 56 4.005 -6.713 1.135 1.00 0.00 N ATOM 835 CA TRP A 56 4.743 -7.325 2.234 1.00 0.00 C ATOM 836 C TRP A 56 4.020 -8.562 2.754 1.00 0.00 C ATOM 837 O TRP A 56 4.650 -9.558 3.110 1.00 0.00 O ATOM 838 CB TRP A 56 4.938 -6.317 3.368 1.00 0.00 C ATOM 839 CG TRP A 56 5.603 -6.904 4.577 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.988 -7.439 5.673 1.00 0.00 C ATOM 841 CD2 TRP A 56 7.011 -7.014 4.811 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.929 -7.874 6.574 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.178 -7.626 6.069 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.147 -6.657 4.080 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.434 -7.886 6.609 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.394 -6.915 4.618 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.530 -7.525 5.872 1.00 0.00 C ATOM 0 H TRP A 56 3.695 -5.758 1.315 1.00 0.00 H new ATOM 0 HA TRP A 56 5.719 -7.631 1.858 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.536 -5.482 3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.968 -5.913 3.656 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.919 -7.510 5.811 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.730 -8.311 7.474 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.053 -6.188 3.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.540 -8.356 7.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.279 -6.642 4.062 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.518 -7.714 6.265 1.00 0.00 H new ATOM 858 N LEU A 57 2.694 -8.492 2.797 1.00 0.00 N ATOM 859 CA LEU A 57 1.884 -9.608 3.273 1.00 0.00 C ATOM 860 C LEU A 57 1.956 -10.785 2.307 1.00 0.00 C ATOM 861 O LEU A 57 1.751 -11.936 2.696 1.00 0.00 O ATOM 862 CB LEU A 57 0.430 -9.168 3.452 1.00 0.00 C ATOM 863 CG LEU A 57 0.152 -8.225 4.624 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.287 -7.735 4.585 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.447 -8.917 5.946 1.00 0.00 C ATOM 0 H LEU A 57 2.157 -7.674 2.508 1.00 0.00 H new ATOM 0 HA LEU A 57 2.282 -9.928 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.104 -8.680 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.186 -10.059 3.575 1.00 0.00 H new ATOM 0 HG LEU A 57 0.810 -7.361 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.466 -7.065 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.464 -7.201 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.963 -8.587 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.244 -8.232 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.186 -9.799 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.495 -9.217 5.974 1.00 0.00 H new ATOM 877 N LYS A 58 2.250 -10.491 1.045 1.00 0.00 N ATOM 878 CA LYS A 58 2.354 -11.525 0.022 1.00 0.00 C ATOM 879 C LYS A 58 3.594 -12.386 0.242 1.00 0.00 C ATOM 880 O LYS A 58 3.537 -13.611 0.139 1.00 0.00 O ATOM 881 CB LYS A 58 2.400 -10.891 -1.370 1.00 0.00 C ATOM 882 CG LYS A 58 1.032 -10.732 -2.012 1.00 0.00 C ATOM 883 CD LYS A 58 1.145 -10.421 -3.495 1.00 0.00 C ATOM 884 CE LYS A 58 -0.196 -10.005 -4.080 1.00 0.00 C ATOM 885 NZ LYS A 58 -0.210 -10.114 -5.565 1.00 0.00 N ATOM 0 H LYS A 58 2.421 -9.544 0.706 1.00 0.00 H new ATOM 0 HA LYS A 58 1.473 -12.163 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.875 -9.912 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.027 -11.503 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.456 -11.647 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.485 -9.932 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.873 -9.624 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.518 -11.298 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.985 -10.631 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.417 -8.978 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.141 -9.822 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.526 -9.497 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.025 -11.099 -5.843 1.00 0.00 H new ATOM 899 N ALA A 59 4.713 -11.736 0.545 1.00 0.00 N ATOM 900 CA ALA A 59 5.966 -12.443 0.782 1.00 0.00 C ATOM 901 C ALA A 59 6.051 -12.940 2.222 1.00 0.00 C ATOM 902 O ALA A 59 6.433 -14.082 2.472 1.00 0.00 O ATOM 903 CB ALA A 59 7.149 -11.542 0.462 1.00 0.00 C ATOM 0 H ALA A 59 4.778 -10.722 0.632 1.00 0.00 H new ATOM 0 HA ALA A 59 5.996 -13.311 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.078 -12.083 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.104 -11.240 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.114 -10.657 1.097 1.00 0.00 H new ATOM 909 N ASN A 60 5.694 -12.074 3.164 1.00 0.00 N ATOM 910 CA ASN A 60 5.732 -12.425 4.579 1.00 0.00 C ATOM 911 C ASN A 60 4.420 -12.057 5.266 1.00 0.00 C ATOM 912 O ASN A 60 3.991 -10.904 5.231 1.00 0.00 O ATOM 913 CB ASN A 60 6.899 -11.718 5.271 1.00 0.00 C ATOM 914 CG ASN A 60 8.224 -12.412 5.024 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.519 -13.443 5.628 1.00 0.00 O ATOM 916 ND2 ASN A 60 9.030 -11.848 4.131 1.00 0.00 N ATOM 0 H ASN A 60 5.375 -11.124 2.973 1.00 0.00 H new ATOM 0 HA ASN A 60 5.873 -13.503 4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.959 -10.689 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.709 -11.674 6.343 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.935 -12.270 3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.744 -10.993 3.654 1.00 0.00 H new ATOM 923 N ARG A 61 3.788 -13.045 5.891 1.00 0.00 N ATOM 924 CA ARG A 61 2.526 -12.826 6.586 1.00 0.00 C ATOM 925 C ARG A 61 2.766 -12.273 7.988 1.00 0.00 C ATOM 926 O ARG A 61 2.070 -12.634 8.938 1.00 0.00 O ATOM 927 CB ARG A 61 1.732 -14.131 6.670 1.00 0.00 C ATOM 928 CG ARG A 61 2.357 -15.166 7.592 1.00 0.00 C ATOM 929 CD ARG A 61 3.494 -15.908 6.907 1.00 0.00 C ATOM 930 NE ARG A 61 3.624 -17.279 7.393 1.00 0.00 N ATOM 931 CZ ARG A 61 4.764 -17.961 7.370 1.00 0.00 C ATOM 932 NH1 ARG A 61 5.865 -17.403 6.888 1.00 0.00 N ATOM 933 NH2 ARG A 61 4.802 -19.205 7.830 1.00 0.00 N ATOM 0 H ARG A 61 4.130 -14.005 5.930 1.00 0.00 H new ATOM 0 HA ARG A 61 1.950 -12.094 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.722 -13.910 7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.640 -14.556 5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.731 -14.676 8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.596 -15.878 7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.323 -15.920 5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.429 -15.374 7.075 1.00 0.00 H new ATOM 0 HE ARG A 61 2.795 -17.738 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.839 -16.447 6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.739 -17.929 6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.956 -19.638 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.677 -19.729 7.812 1.00 0.00 H new ATOM 947 N THR A 62 3.756 -11.395 8.111 1.00 0.00 N ATOM 948 CA THR A 62 4.089 -10.793 9.396 1.00 0.00 C ATOM 949 C THR A 62 4.222 -9.279 9.276 1.00 0.00 C ATOM 950 O THR A 62 4.137 -8.723 8.181 1.00 0.00 O ATOM 951 CB THR A 62 5.400 -11.369 9.963 1.00 0.00 C ATOM 952 OG1 THR A 62 6.488 -11.072 9.080 1.00 0.00 O ATOM 953 CG2 THR A 62 5.292 -12.874 10.154 1.00 0.00 C ATOM 0 H THR A 62 4.342 -11.085 7.336 1.00 0.00 H new ATOM 0 HA THR A 62 3.272 -11.030 10.077 1.00 0.00 H new ATOM 0 HB THR A 62 5.584 -10.908 10.933 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.283 -11.571 9.361 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.230 -13.258 10.555 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.482 -13.095 10.849 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.086 -13.349 9.195 1.00 0.00 H new ATOM 961 N CYS A 63 4.432 -8.617 10.409 1.00 0.00 N ATOM 962 CA CYS A 63 4.578 -7.167 10.432 1.00 0.00 C ATOM 963 C CYS A 63 6.040 -6.764 10.259 1.00 0.00 C ATOM 964 O CYS A 63 6.919 -7.189 11.008 1.00 0.00 O ATOM 965 CB CYS A 63 4.032 -6.599 11.744 1.00 0.00 C ATOM 966 SG CYS A 63 4.292 -4.807 11.944 1.00 0.00 S ATOM 0 H CYS A 63 4.505 -9.062 11.324 1.00 0.00 H new ATOM 0 HA CYS A 63 4.006 -6.756 9.600 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.964 -6.809 11.802 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.505 -7.119 12.577 1.00 0.00 H new ATOM 0 HG CYS A 63 4.817 -4.321 10.858 1.00 0.00 H new ATOM 971 N PRO A 64 6.306 -5.923 9.249 1.00 0.00 N ATOM 972 CA PRO A 64 7.660 -5.443 8.954 1.00 0.00 C ATOM 973 C PRO A 64 8.179 -4.483 10.019 1.00 0.00 C ATOM 974 O PRO A 64 9.212 -3.839 9.836 1.00 0.00 O ATOM 975 CB PRO A 64 7.496 -4.719 7.615 1.00 0.00 C ATOM 976 CG PRO A 64 6.065 -4.305 7.581 1.00 0.00 C ATOM 977 CD PRO A 64 5.307 -5.376 8.316 1.00 0.00 C ATOM 0 HA PRO A 64 8.385 -6.257 8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.159 -3.857 7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.739 -5.374 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.928 -3.334 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.710 -4.210 6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.445 -4.968 8.844 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.931 -6.141 7.636 1.00 0.00 H new ATOM 985 N ILE A 65 7.457 -4.394 11.131 1.00 0.00 N ATOM 986 CA ILE A 65 7.847 -3.513 12.225 1.00 0.00 C ATOM 987 C ILE A 65 8.100 -4.304 13.504 1.00 0.00 C ATOM 988 O ILE A 65 9.223 -4.351 14.006 1.00 0.00 O ATOM 989 CB ILE A 65 6.771 -2.446 12.499 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.426 -1.695 11.212 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.246 -1.478 13.573 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.456 -0.553 11.419 1.00 0.00 C ATOM 0 H ILE A 65 6.600 -4.921 11.298 1.00 0.00 H new ATOM 0 HA ILE A 65 8.768 -3.018 11.919 1.00 0.00 H new ATOM 0 HB ILE A 65 5.871 -2.944 12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.344 -1.306 10.771 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.000 -2.397 10.495 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.475 -0.730 13.755 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.445 -2.026 14.494 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.159 -0.984 13.240 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.258 -0.067 10.464 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.523 -0.938 11.831 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.887 0.170 12.112 1.00 0.00 H new ATOM 1004 N CYS A 66 7.048 -4.927 14.025 1.00 0.00 N ATOM 1005 CA CYS A 66 7.155 -5.719 15.245 1.00 0.00 C ATOM 1006 C CYS A 66 7.007 -7.207 14.942 1.00 0.00 C ATOM 1007 O CYS A 66 6.713 -8.006 15.832 1.00 0.00 O ATOM 1008 CB CYS A 66 6.091 -5.284 16.255 1.00 0.00 C ATOM 1009 SG CYS A 66 4.380 -5.601 15.715 1.00 0.00 S ATOM 0 H CYS A 66 6.112 -4.899 13.621 1.00 0.00 H new ATOM 0 HA CYS A 66 8.143 -5.550 15.673 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.266 -5.804 17.197 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.207 -4.218 16.453 1.00 0.00 H new ATOM 0 HG CYS A 66 4.278 -5.372 14.439 1.00 0.00 H new ATOM 1014 N ARG A 67 7.213 -7.572 13.681 1.00 0.00 N ATOM 1015 CA ARG A 67 7.102 -8.963 13.261 1.00 0.00 C ATOM 1016 C ARG A 67 5.984 -9.673 14.018 1.00 0.00 C ATOM 1017 O ARG A 67 6.046 -10.880 14.250 1.00 0.00 O ATOM 1018 CB ARG A 67 8.428 -9.694 13.486 1.00 0.00 C ATOM 1019 CG ARG A 67 9.584 -9.118 12.685 1.00 0.00 C ATOM 1020 CD ARG A 67 9.401 -9.355 11.194 1.00 0.00 C ATOM 1021 NE ARG A 67 9.556 -10.763 10.840 1.00 0.00 N ATOM 1022 CZ ARG A 67 10.730 -11.336 10.599 1.00 0.00 C ATOM 1023 NH1 ARG A 67 11.846 -10.624 10.672 1.00 0.00 N ATOM 1024 NH2 ARG A 67 10.788 -12.624 10.283 1.00 0.00 N ATOM 0 H ARG A 67 7.458 -6.924 12.933 1.00 0.00 H new ATOM 0 HA ARG A 67 6.863 -8.976 12.198 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.678 -9.658 14.546 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.303 -10.745 13.224 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.664 -8.048 12.877 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.519 -9.572 13.015 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.412 -9.012 10.891 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.128 -8.760 10.641 1.00 0.00 H new ATOM 0 HE ARG A 67 8.716 -11.338 10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.804 -9.634 10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.746 -11.066 10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.931 -13.174 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.690 -13.064 10.098 1.00 0.00 H new ATOM 1038 N ALA A 68 4.962 -8.914 14.401 1.00 0.00 N ATOM 1039 CA ALA A 68 3.829 -9.470 15.131 1.00 0.00 C ATOM 1040 C ALA A 68 2.885 -10.215 14.194 1.00 0.00 C ATOM 1041 O ALA A 68 2.129 -9.600 13.441 1.00 0.00 O ATOM 1042 CB ALA A 68 3.083 -8.367 15.868 1.00 0.00 C ATOM 0 H ALA A 68 4.896 -7.913 14.218 1.00 0.00 H new ATOM 0 HA ALA A 68 4.213 -10.183 15.860 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.240 -8.797 16.409 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.757 -7.881 16.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.718 -7.632 15.150 1.00 0.00 H new ATOM 1048 N ASP A 69 2.934 -11.542 14.245 1.00 0.00 N ATOM 1049 CA ASP A 69 2.082 -12.371 13.400 1.00 0.00 C ATOM 1050 C ASP A 69 0.720 -11.717 13.193 1.00 0.00 C ATOM 1051 O ASP A 69 -0.088 -11.634 14.119 1.00 0.00 O ATOM 1052 CB ASP A 69 1.906 -13.757 14.022 1.00 0.00 C ATOM 1053 CG ASP A 69 1.688 -14.836 12.979 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.768 -14.680 12.149 1.00 0.00 O ATOM 1055 OD2 ASP A 69 2.436 -15.836 12.993 1.00 0.00 O ATOM 0 H ASP A 69 3.554 -12.066 14.862 1.00 0.00 H new ATOM 0 HA ASP A 69 2.566 -12.475 12.429 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.788 -14.001 14.614 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.057 -13.740 14.706 1.00 0.00 H new ATOM 1060 N SER A 70 0.471 -11.251 11.973 1.00 0.00 N ATOM 1061 CA SER A 70 -0.791 -10.599 11.646 1.00 0.00 C ATOM 1062 C SER A 70 -1.907 -11.627 11.484 1.00 0.00 C ATOM 1063 O SER A 70 -3.007 -11.454 12.008 1.00 0.00 O ATOM 1064 CB SER A 70 -0.648 -9.779 10.362 1.00 0.00 C ATOM 1065 OG SER A 70 0.464 -8.903 10.439 1.00 0.00 O ATOM 0 H SER A 70 1.127 -11.313 11.195 1.00 0.00 H new ATOM 0 HA SER A 70 -1.051 -9.932 12.468 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.529 -10.449 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.558 -9.203 10.191 1.00 0.00 H new ATOM 0 HG SER A 70 0.536 -8.391 9.606 1.00 0.00 H new