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 101:sc= -0.969 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.253 K(o=-8.2,f=-9.3) USER MOD Set 1.3: A 63 CYS SG : rot 2:sc= -3.46! USER MOD Set 1.4: A 66 CYS SG : rot -38:sc= -3.56! USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= -0.695 USER MOD Set 2.2: A 29 CYS SG : rot -53:sc= -0.8 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.62 X(o=-4.7,f=-5.1) USER MOD Set 2.4: A 52 CYS SG : rot -166:sc= -1.58! USER MOD Single : A 12 TYR OH : rot 180:sc= -0.014 USER MOD Single : A 24 THR OG1 : rot 22:sc= 1.11 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0279 USER MOD Single : A 37 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.3) USER MOD Single : A 45 ASN : amide:sc= -1.56! X(o=-1.6!,f=-1.6) 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+ -134:sc= -0.0291 (180deg=-0.651) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.970 3.380 5.618 1.00 0.00 N ATOM 128 CA TYR A 12 -9.971 4.766 6.072 1.00 0.00 C ATOM 129 C TYR A 12 -8.934 5.589 5.313 1.00 0.00 C ATOM 130 O TYR A 12 -7.942 5.054 4.817 1.00 0.00 O ATOM 131 CB TYR A 12 -9.691 4.833 7.574 1.00 0.00 C ATOM 132 CG TYR A 12 -8.222 4.742 7.921 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.607 3.511 8.113 1.00 0.00 C ATOM 134 CD2 TYR A 12 -7.448 5.889 8.055 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.266 3.425 8.431 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.105 5.812 8.370 1.00 0.00 C ATOM 137 CZ TYR A 12 -5.519 4.577 8.558 1.00 0.00 C ATOM 138 OH TYR A 12 -4.182 4.495 8.873 1.00 0.00 O ATOM 0 HA TYR A 12 -10.957 5.186 5.874 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.092 5.767 7.968 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.224 4.022 8.071 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.188 2.606 8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.904 6.857 7.910 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.804 2.460 8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.517 6.713 8.468 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.802 5.397 8.923 1.00 0.00 H new ATOM 148 N ARG A 13 -9.172 6.893 5.227 1.00 0.00 N ATOM 149 CA ARG A 13 -8.260 7.791 4.528 1.00 0.00 C ATOM 150 C ARG A 13 -7.442 8.615 5.519 1.00 0.00 C ATOM 151 O ARG A 13 -7.995 9.266 6.406 1.00 0.00 O ATOM 152 CB ARG A 13 -9.040 8.722 3.597 1.00 0.00 C ATOM 153 CG ARG A 13 -8.276 9.105 2.340 1.00 0.00 C ATOM 154 CD ARG A 13 -9.172 9.819 1.340 1.00 0.00 C ATOM 155 NE ARG A 13 -9.636 11.109 1.845 1.00 0.00 N ATOM 156 CZ ARG A 13 -10.758 11.266 2.538 1.00 0.00 C ATOM 157 NH1 ARG A 13 -11.526 10.219 2.809 1.00 0.00 N ATOM 158 NH2 ARG A 13 -11.113 12.471 2.964 1.00 0.00 N ATOM 0 H ARG A 13 -9.988 7.352 5.632 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.576 7.184 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.974 8.238 3.311 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.305 9.628 4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.438 9.750 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.857 8.210 1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.627 9.969 0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.031 9.190 1.109 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.067 11.934 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.255 9.290 2.485 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.387 10.342 3.341 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.524 13.278 2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.975 12.590 3.496 1.00 0.00 H new ATOM 172 N PHE A 14 -6.123 8.581 5.362 1.00 0.00 N ATOM 173 CA PHE A 14 -5.229 9.323 6.244 1.00 0.00 C ATOM 174 C PHE A 14 -5.719 10.755 6.436 1.00 0.00 C ATOM 175 O PHE A 14 -6.241 11.373 5.509 1.00 0.00 O ATOM 176 CB PHE A 14 -3.808 9.330 5.676 1.00 0.00 C ATOM 177 CG PHE A 14 -2.828 10.093 6.521 1.00 0.00 C ATOM 178 CD1 PHE A 14 -2.848 11.478 6.547 1.00 0.00 C ATOM 179 CD2 PHE A 14 -1.888 9.424 7.287 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.948 12.183 7.324 1.00 0.00 C ATOM 181 CE2 PHE A 14 -0.986 10.124 8.066 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.015 11.505 8.084 1.00 0.00 C ATOM 0 H PHE A 14 -5.649 8.048 4.633 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.223 8.827 7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.462 8.302 5.572 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.827 9.763 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.575 12.013 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.859 8.344 7.276 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.974 13.263 7.337 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.259 9.591 8.661 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.310 12.053 8.691 1.00 0.00 H new ATOM 326 N THR A 24 3.202 8.402 12.478 1.00 0.00 N ATOM 327 CA THR A 24 2.672 7.777 11.273 1.00 0.00 C ATOM 328 C THR A 24 3.756 7.619 10.213 1.00 0.00 C ATOM 329 O THR A 24 4.101 8.574 9.517 1.00 0.00 O ATOM 330 CB THR A 24 1.507 8.594 10.683 1.00 0.00 C ATOM 331 OG1 THR A 24 1.991 9.847 10.184 1.00 0.00 O ATOM 332 CG2 THR A 24 0.433 8.841 11.731 1.00 0.00 C ATOM 0 HA THR A 24 2.305 6.792 11.562 1.00 0.00 H new ATOM 0 HB THR A 24 1.069 8.022 9.865 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.951 9.777 10.001 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.379 9.420 11.291 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.046 7.886 12.088 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.861 9.394 12.567 1.00 0.00 H new ATOM 340 N LEU A 25 4.289 6.408 10.095 1.00 0.00 N ATOM 341 CA LEU A 25 5.334 6.124 9.118 1.00 0.00 C ATOM 342 C LEU A 25 5.163 4.728 8.527 1.00 0.00 C ATOM 343 O LEU A 25 4.727 3.802 9.211 1.00 0.00 O ATOM 344 CB LEU A 25 6.714 6.250 9.767 1.00 0.00 C ATOM 345 CG LEU A 25 7.912 5.998 8.851 1.00 0.00 C ATOM 346 CD1 LEU A 25 9.116 6.802 9.314 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.245 4.514 8.804 1.00 0.00 C ATOM 0 H LEU A 25 4.015 5.607 10.664 1.00 0.00 H new ATOM 0 HA LEU A 25 5.250 6.852 8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.806 7.252 10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.766 5.550 10.601 1.00 0.00 H new ATOM 0 HG LEU A 25 7.650 6.323 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.959 6.610 8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.873 7.864 9.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.380 6.509 10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.100 4.354 8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.487 4.163 9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.387 3.960 8.424 1.00 0.00 H new ATOM 359 N CYS A 26 5.510 4.585 7.252 1.00 0.00 N ATOM 360 CA CYS A 26 5.396 3.302 6.569 1.00 0.00 C ATOM 361 C CYS A 26 6.723 2.549 6.601 1.00 0.00 C ATOM 362 O CYS A 26 7.614 2.803 5.789 1.00 0.00 O ATOM 363 CB CYS A 26 4.951 3.511 5.120 1.00 0.00 C ATOM 364 SG CYS A 26 4.662 1.964 4.201 1.00 0.00 S ATOM 0 H CYS A 26 5.872 5.341 6.671 1.00 0.00 H new ATOM 0 HA CYS A 26 4.647 2.706 7.090 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.035 4.101 5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.710 4.095 4.599 1.00 0.00 H new ATOM 0 HG CYS A 26 3.732 1.275 4.793 1.00 0.00 H new ATOM 369 N VAL A 27 6.848 1.621 7.545 1.00 0.00 N ATOM 370 CA VAL A 27 8.065 0.830 7.683 1.00 0.00 C ATOM 371 C VAL A 27 8.443 0.169 6.362 1.00 0.00 C ATOM 372 O VAL A 27 9.623 -0.008 6.060 1.00 0.00 O ATOM 373 CB VAL A 27 7.908 -0.257 8.762 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.378 -1.545 8.150 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.232 -0.500 9.471 1.00 0.00 C ATOM 0 H VAL A 27 6.121 1.399 8.225 1.00 0.00 H new ATOM 0 HA VAL A 27 8.857 1.517 7.982 1.00 0.00 H new ATOM 0 HB VAL A 27 7.185 0.091 9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.274 -2.301 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.406 -1.358 7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.074 -1.900 7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.102 -1.271 10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.978 -0.826 8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.566 0.423 9.945 1.00 0.00 H new ATOM 385 N VAL A 28 7.433 -0.194 5.578 1.00 0.00 N ATOM 386 CA VAL A 28 7.660 -0.835 4.288 1.00 0.00 C ATOM 387 C VAL A 28 8.542 0.028 3.393 1.00 0.00 C ATOM 388 O VAL A 28 9.657 -0.359 3.043 1.00 0.00 O ATOM 389 CB VAL A 28 6.331 -1.118 3.561 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.586 -1.830 2.241 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.404 -1.936 4.448 1.00 0.00 C ATOM 0 H VAL A 28 6.450 -0.055 5.813 1.00 0.00 H new ATOM 0 HA VAL A 28 8.165 -1.780 4.488 1.00 0.00 H new ATOM 0 HB VAL A 28 5.844 -0.167 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.636 -2.022 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.211 -1.203 1.604 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.094 -2.776 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.470 -2.127 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.881 -2.884 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.196 -1.384 5.364 1.00 0.00 H new ATOM 401 N CYS A 29 8.035 1.201 3.026 1.00 0.00 N ATOM 402 CA CYS A 29 8.776 2.120 2.171 1.00 0.00 C ATOM 403 C CYS A 29 9.318 3.296 2.978 1.00 0.00 C ATOM 404 O CYS A 29 9.564 4.374 2.437 1.00 0.00 O ATOM 405 CB CYS A 29 7.881 2.633 1.041 1.00 0.00 C ATOM 406 SG CYS A 29 6.524 3.713 1.599 1.00 0.00 S ATOM 0 H CYS A 29 7.114 1.537 3.308 1.00 0.00 H new ATOM 0 HA CYS A 29 9.618 1.578 1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.495 3.180 0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.458 1.780 0.511 1.00 0.00 H new ATOM 0 HG CYS A 29 5.843 3.110 2.528 1.00 0.00 H new ATOM 411 N MET A 30 9.501 3.081 4.277 1.00 0.00 N ATOM 412 CA MET A 30 10.015 4.122 5.159 1.00 0.00 C ATOM 413 C MET A 30 9.565 5.502 4.691 1.00 0.00 C ATOM 414 O MET A 30 10.362 6.439 4.632 1.00 0.00 O ATOM 415 CB MET A 30 11.543 4.064 5.216 1.00 0.00 C ATOM 416 CG MET A 30 12.085 2.688 5.568 1.00 0.00 C ATOM 417 SD MET A 30 13.629 2.767 6.496 1.00 0.00 S ATOM 418 CE MET A 30 13.012 2.852 8.175 1.00 0.00 C ATOM 0 H MET A 30 9.301 2.195 4.742 1.00 0.00 H new ATOM 0 HA MET A 30 9.614 3.947 6.158 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.946 4.369 4.250 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.899 4.785 5.952 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.341 2.147 6.153 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.245 2.119 4.652 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.851 2.906 8.869 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.389 3.739 8.289 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.420 1.963 8.390 1.00 0.00 H new ATOM 428 N CYS A 31 8.284 5.621 4.360 1.00 0.00 N ATOM 429 CA CYS A 31 7.728 6.887 3.895 1.00 0.00 C ATOM 430 C CYS A 31 6.447 7.228 4.650 1.00 0.00 C ATOM 431 O CYS A 31 5.574 6.378 4.826 1.00 0.00 O ATOM 432 CB CYS A 31 7.448 6.825 2.393 1.00 0.00 C ATOM 433 SG CYS A 31 7.191 8.440 1.622 1.00 0.00 S ATOM 0 H CYS A 31 7.611 4.856 4.405 1.00 0.00 H new ATOM 0 HA CYS A 31 8.462 7.670 4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.283 6.327 1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.565 6.209 2.224 1.00 0.00 H new ATOM 0 HG CYS A 31 6.964 8.283 0.352 1.00 0.00 H new ATOM 439 N ASP A 32 6.343 8.475 5.095 1.00 0.00 N ATOM 440 CA ASP A 32 5.169 8.928 5.831 1.00 0.00 C ATOM 441 C ASP A 32 3.951 9.011 4.916 1.00 0.00 C ATOM 442 O ASP A 32 4.010 9.606 3.839 1.00 0.00 O ATOM 443 CB ASP A 32 5.436 10.293 6.469 1.00 0.00 C ATOM 444 CG ASP A 32 5.420 11.419 5.455 1.00 0.00 C ATOM 445 OD1 ASP A 32 6.419 11.570 4.720 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.410 12.150 5.396 1.00 0.00 O ATOM 0 H ASP A 32 7.057 9.190 4.959 1.00 0.00 H new ATOM 0 HA ASP A 32 4.962 8.202 6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.684 10.486 7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.404 10.273 6.971 1.00 0.00 H new ATOM 451 N PHE A 33 2.849 8.409 5.350 1.00 0.00 N ATOM 452 CA PHE A 33 1.617 8.413 4.569 1.00 0.00 C ATOM 453 C PHE A 33 1.147 9.840 4.301 1.00 0.00 C ATOM 454 O PHE A 33 1.367 10.739 5.112 1.00 0.00 O ATOM 455 CB PHE A 33 0.523 7.632 5.299 1.00 0.00 C ATOM 456 CG PHE A 33 1.043 6.462 6.084 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.412 5.290 5.443 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.163 6.533 7.462 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.891 4.211 6.162 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.643 5.458 8.186 1.00 0.00 C ATOM 461 CZ PHE A 33 2.006 4.295 7.536 1.00 0.00 C ATOM 0 H PHE A 33 2.783 7.912 6.238 1.00 0.00 H new ATOM 0 HA PHE A 33 1.821 7.931 3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.005 8.306 5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.205 7.276 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.324 5.219 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.878 7.439 7.977 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.175 3.303 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.734 5.528 9.260 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.379 3.453 8.100 1.00 0.00 H new ATOM 471 N GLU A 34 0.499 10.038 3.157 1.00 0.00 N ATOM 472 CA GLU A 34 0.000 11.355 2.782 1.00 0.00 C ATOM 473 C GLU A 34 -1.518 11.424 2.930 1.00 0.00 C ATOM 474 O GLU A 34 -2.193 10.397 2.991 1.00 0.00 O ATOM 475 CB GLU A 34 0.398 11.685 1.342 1.00 0.00 C ATOM 476 CG GLU A 34 0.593 13.171 1.089 1.00 0.00 C ATOM 477 CD GLU A 34 -0.703 13.879 0.745 1.00 0.00 C ATOM 478 OE1 GLU A 34 -1.471 13.342 -0.080 1.00 0.00 O ATOM 479 OE2 GLU A 34 -0.949 14.970 1.300 1.00 0.00 O ATOM 0 H GLU A 34 0.308 9.304 2.475 1.00 0.00 H new ATOM 0 HA GLU A 34 0.447 12.089 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.322 11.160 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.370 11.308 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.031 13.632 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.304 13.307 0.274 1.00 0.00 H new ATOM 486 N SER A 35 -2.046 12.643 2.988 1.00 0.00 N ATOM 487 CA SER A 35 -3.482 12.847 3.134 1.00 0.00 C ATOM 488 C SER A 35 -4.229 12.355 1.897 1.00 0.00 C ATOM 489 O SER A 35 -3.668 12.296 0.803 1.00 0.00 O ATOM 490 CB SER A 35 -3.787 14.327 3.372 1.00 0.00 C ATOM 491 OG SER A 35 -5.183 14.570 3.351 1.00 0.00 O ATOM 0 H SER A 35 -1.501 13.503 2.936 1.00 0.00 H new ATOM 0 HA SER A 35 -3.820 12.271 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.375 14.636 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.298 14.930 2.607 1.00 0.00 H new ATOM 0 HG SER A 35 -5.352 15.523 3.507 1.00 0.00 H new ATOM 497 N ARG A 36 -5.498 12.003 2.081 1.00 0.00 N ATOM 498 CA ARG A 36 -6.322 11.515 0.982 1.00 0.00 C ATOM 499 C ARG A 36 -5.737 10.237 0.390 1.00 0.00 C ATOM 500 O ARG A 36 -5.577 10.121 -0.825 1.00 0.00 O ATOM 501 CB ARG A 36 -6.444 12.584 -0.106 1.00 0.00 C ATOM 502 CG ARG A 36 -7.403 13.709 0.250 1.00 0.00 C ATOM 503 CD ARG A 36 -7.699 14.590 -0.953 1.00 0.00 C ATOM 504 NE ARG A 36 -6.524 15.345 -1.381 1.00 0.00 N ATOM 505 CZ ARG A 36 -6.010 16.358 -0.693 1.00 0.00 C ATOM 506 NH1 ARG A 36 -6.564 16.735 0.451 1.00 0.00 N ATOM 507 NH2 ARG A 36 -4.939 16.995 -1.148 1.00 0.00 N ATOM 0 H ARG A 36 -5.977 12.047 2.980 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.314 11.292 1.376 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.458 13.006 -0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.777 12.113 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.333 13.288 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.975 14.314 1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.052 13.971 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.504 15.282 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.073 15.079 -2.257 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.387 16.247 0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.167 17.513 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.509 16.707 -2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.545 17.773 -0.619 1.00 0.00 H new ATOM 521 N GLN A 37 -5.419 9.280 1.257 1.00 0.00 N ATOM 522 CA GLN A 37 -4.851 8.011 0.819 1.00 0.00 C ATOM 523 C GLN A 37 -5.288 6.874 1.736 1.00 0.00 C ATOM 524 O GLN A 37 -5.191 6.977 2.960 1.00 0.00 O ATOM 525 CB GLN A 37 -3.324 8.097 0.785 1.00 0.00 C ATOM 526 CG GLN A 37 -2.796 9.190 -0.130 1.00 0.00 C ATOM 527 CD GLN A 37 -1.362 8.950 -0.560 1.00 0.00 C ATOM 528 OE1 GLN A 37 -0.588 8.309 0.152 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.001 9.463 -1.730 1.00 0.00 N ATOM 0 H GLN A 37 -5.545 9.360 2.266 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.219 7.804 -0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.956 8.272 1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.922 7.137 0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.430 9.256 -1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.862 10.150 0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.676 9.987 -2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.049 9.333 -2.072 1.00 0.00 H new ATOM 538 N LEU A 38 -5.770 5.790 1.138 1.00 0.00 N ATOM 539 CA LEU A 38 -6.222 4.632 1.901 1.00 0.00 C ATOM 540 C LEU A 38 -5.042 3.901 2.534 1.00 0.00 C ATOM 541 O LEU A 38 -4.090 3.527 1.848 1.00 0.00 O ATOM 542 CB LEU A 38 -7.005 3.676 0.999 1.00 0.00 C ATOM 543 CG LEU A 38 -8.140 2.900 1.668 1.00 0.00 C ATOM 544 CD1 LEU A 38 -7.585 1.911 2.682 1.00 0.00 C ATOM 545 CD2 LEU A 38 -9.119 3.855 2.334 1.00 0.00 C ATOM 0 H LEU A 38 -5.858 5.689 0.127 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.875 4.986 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.422 4.249 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.305 2.959 0.569 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.674 2.341 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.407 1.368 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.924 1.206 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.026 2.450 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.920 3.285 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.598 4.441 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.542 4.524 1.584 1.00 0.00 H new ATOM 557 N LEU A 39 -5.112 3.700 3.845 1.00 0.00 N ATOM 558 CA LEU A 39 -4.050 3.011 4.571 1.00 0.00 C ATOM 559 C LEU A 39 -4.597 1.797 5.314 1.00 0.00 C ATOM 560 O LEU A 39 -5.768 1.765 5.695 1.00 0.00 O ATOM 561 CB LEU A 39 -3.377 3.967 5.558 1.00 0.00 C ATOM 562 CG LEU A 39 -2.925 5.312 4.988 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.399 6.211 6.095 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.864 5.107 3.916 1.00 0.00 C ATOM 0 H LEU A 39 -5.892 4.004 4.427 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.312 2.668 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.069 4.157 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.508 3.465 5.984 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.786 5.799 4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.082 7.164 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.187 6.385 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.550 5.730 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.554 6.075 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.003 4.599 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.275 4.501 3.109 1.00 0.00 H new ATOM 576 N ARG A 40 -3.742 0.800 5.519 1.00 0.00 N ATOM 577 CA ARG A 40 -4.140 -0.416 6.217 1.00 0.00 C ATOM 578 C ARG A 40 -3.416 -0.536 7.555 1.00 0.00 C ATOM 579 O ARG A 40 -2.186 -0.546 7.609 1.00 0.00 O ATOM 580 CB ARG A 40 -3.847 -1.645 5.354 1.00 0.00 C ATOM 581 CG ARG A 40 -4.842 -1.847 4.224 1.00 0.00 C ATOM 582 CD ARG A 40 -6.151 -2.430 4.733 1.00 0.00 C ATOM 583 NE ARG A 40 -7.246 -2.224 3.789 1.00 0.00 N ATOM 584 CZ ARG A 40 -7.491 -3.029 2.761 1.00 0.00 C ATOM 585 NH1 ARG A 40 -6.724 -4.088 2.546 1.00 0.00 N ATOM 586 NH2 ARG A 40 -8.507 -2.775 1.945 1.00 0.00 N ATOM 0 H ARG A 40 -2.770 0.811 5.212 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.212 -0.362 6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.846 -1.552 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.845 -2.532 5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.034 -0.894 3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.413 -2.512 3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.026 -3.497 4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.405 -1.971 5.688 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.856 -1.418 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.943 -4.287 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.915 -4.704 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.100 -1.961 2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.694 -3.394 1.156 1.00 0.00 H new ATOM 600 N VAL A 41 -4.187 -0.626 8.634 1.00 0.00 N ATOM 601 CA VAL A 41 -3.620 -0.746 9.972 1.00 0.00 C ATOM 602 C VAL A 41 -3.571 -2.202 10.419 1.00 0.00 C ATOM 603 O VAL A 41 -4.580 -2.908 10.386 1.00 0.00 O ATOM 604 CB VAL A 41 -4.429 0.068 10.999 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.823 -0.071 12.387 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.498 1.530 10.584 1.00 0.00 C ATOM 0 H VAL A 41 -5.207 -0.618 8.608 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.606 -0.350 9.923 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.445 -0.326 11.030 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.408 0.511 13.099 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.829 -1.120 12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.797 0.296 12.374 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.073 2.091 11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.489 1.939 10.523 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.981 1.609 9.610 1.00 0.00 H new ATOM 616 N LEU A 42 -2.391 -2.647 10.839 1.00 0.00 N ATOM 617 CA LEU A 42 -2.210 -4.021 11.295 1.00 0.00 C ATOM 618 C LEU A 42 -2.858 -4.232 12.659 1.00 0.00 C ATOM 619 O LEU A 42 -3.089 -3.290 13.417 1.00 0.00 O ATOM 620 CB LEU A 42 -0.720 -4.362 11.367 1.00 0.00 C ATOM 621 CG LEU A 42 -0.040 -4.683 10.036 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.375 -5.190 10.269 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.852 -5.706 9.255 1.00 0.00 C ATOM 0 H LEU A 42 -1.546 -2.077 10.873 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.694 -4.683 10.577 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.197 -3.523 11.826 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.595 -5.217 12.031 1.00 0.00 H new ATOM 0 HG LEU A 42 0.015 -3.767 9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.844 -5.414 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.955 -4.426 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.342 -6.094 10.876 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.353 -5.922 8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.939 -6.623 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.847 -5.306 9.057 1.00 0.00 H new ATOM 635 N PRO A 43 -3.158 -5.499 12.982 1.00 0.00 N ATOM 636 CA PRO A 43 -3.782 -5.864 14.257 1.00 0.00 C ATOM 637 C PRO A 43 -2.834 -5.684 15.439 1.00 0.00 C ATOM 638 O PRO A 43 -3.158 -6.050 16.569 1.00 0.00 O ATOM 639 CB PRO A 43 -4.129 -7.343 14.071 1.00 0.00 C ATOM 640 CG PRO A 43 -3.164 -7.834 13.048 1.00 0.00 C ATOM 641 CD PRO A 43 -2.911 -6.672 12.127 1.00 0.00 C ATOM 0 HA PRO A 43 -4.643 -5.235 14.484 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.028 -7.894 15.006 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.159 -7.469 13.736 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.238 -8.171 13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.573 -8.684 12.501 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.892 -6.680 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.579 -6.689 11.266 1.00 0.00 H new ATOM 649 N CYS A 44 -1.663 -5.117 15.170 1.00 0.00 N ATOM 650 CA CYS A 44 -0.667 -4.888 16.210 1.00 0.00 C ATOM 651 C CYS A 44 -0.520 -3.398 16.503 1.00 0.00 C ATOM 652 O CYS A 44 0.415 -2.978 17.184 1.00 0.00 O ATOM 653 CB CYS A 44 0.683 -5.473 15.791 1.00 0.00 C ATOM 654 SG CYS A 44 1.086 -5.227 14.032 1.00 0.00 S ATOM 0 H CYS A 44 -1.380 -4.807 14.240 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.005 -5.387 17.118 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.467 -5.021 16.399 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.687 -6.541 16.008 1.00 0.00 H new ATOM 0 HG CYS A 44 1.915 -4.233 13.912 1.00 0.00 H new ATOM 659 N ASN A 45 -1.450 -2.604 15.984 1.00 0.00 N ATOM 660 CA ASN A 45 -1.424 -1.160 16.189 1.00 0.00 C ATOM 661 C ASN A 45 -0.323 -0.512 15.355 1.00 0.00 C ATOM 662 O ASN A 45 0.527 0.208 15.882 1.00 0.00 O ATOM 663 CB ASN A 45 -1.215 -0.838 17.670 1.00 0.00 C ATOM 664 CG ASN A 45 -2.014 -1.752 18.579 1.00 0.00 C ATOM 665 OD1 ASN A 45 -3.180 -1.489 18.872 1.00 0.00 O ATOM 666 ND2 ASN A 45 -1.388 -2.833 19.029 1.00 0.00 N ATOM 0 H ASN A 45 -2.231 -2.936 15.418 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.384 -0.755 15.868 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.156 -0.925 17.912 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.501 0.197 17.858 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.875 -3.485 19.644 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.420 -3.011 18.760 1.00 0.00 H new ATOM 673 N HIS A 46 -0.344 -0.772 14.052 1.00 0.00 N ATOM 674 CA HIS A 46 0.653 -0.213 13.145 1.00 0.00 C ATOM 675 C HIS A 46 0.010 0.215 11.829 1.00 0.00 C ATOM 676 O HIS A 46 -0.817 -0.504 11.269 1.00 0.00 O ATOM 677 CB HIS A 46 1.759 -1.234 12.877 1.00 0.00 C ATOM 678 CG HIS A 46 2.742 -1.361 13.999 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.326 -2.558 14.357 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.245 -0.431 14.844 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.144 -2.359 15.375 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.114 -1.076 15.689 1.00 0.00 N ATOM 0 H HIS A 46 -1.040 -1.366 13.600 1.00 0.00 H new ATOM 0 HA HIS A 46 1.088 0.666 13.620 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.306 -2.208 12.690 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.291 -0.951 11.969 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.007 0.622 14.852 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.736 -3.116 15.867 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.649 -0.636 16.438 1.00 0.00 H new ATOM 690 N GLU A 47 0.395 1.391 11.343 1.00 0.00 N ATOM 691 CA GLU A 47 -0.146 1.915 10.095 1.00 0.00 C ATOM 692 C GLU A 47 0.741 1.531 8.914 1.00 0.00 C ATOM 693 O GLU A 47 1.963 1.458 9.039 1.00 0.00 O ATOM 694 CB GLU A 47 -0.282 3.437 10.170 1.00 0.00 C ATOM 695 CG GLU A 47 -1.030 3.921 11.401 1.00 0.00 C ATOM 696 CD GLU A 47 -0.652 5.336 11.795 1.00 0.00 C ATOM 697 OE1 GLU A 47 -0.401 6.156 10.887 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.608 5.623 13.009 1.00 0.00 O ATOM 0 H GLU A 47 1.079 1.998 11.794 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.133 1.477 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.712 3.883 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.799 3.792 9.278 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.102 3.875 11.211 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.824 3.249 12.234 1.00 0.00 H new ATOM 705 N PHE A 48 0.115 1.285 7.767 1.00 0.00 N ATOM 706 CA PHE A 48 0.846 0.907 6.564 1.00 0.00 C ATOM 707 C PHE A 48 0.111 1.373 5.311 1.00 0.00 C ATOM 708 O PHE A 48 -1.044 1.797 5.377 1.00 0.00 O ATOM 709 CB PHE A 48 1.045 -0.610 6.518 1.00 0.00 C ATOM 710 CG PHE A 48 1.834 -1.147 7.677 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.220 -1.148 7.647 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.192 -1.651 8.796 1.00 0.00 C ATOM 713 CE1 PHE A 48 3.950 -1.641 8.712 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.916 -2.144 9.864 1.00 0.00 C ATOM 715 CZ PHE A 48 3.297 -2.141 9.822 1.00 0.00 C ATOM 0 H PHE A 48 -0.896 1.341 7.646 1.00 0.00 H new ATOM 0 HA PHE A 48 1.821 1.394 6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.069 -1.096 6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.553 -0.874 5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.735 -0.759 6.781 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.113 -1.659 8.834 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.029 -1.635 8.677 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.403 -2.532 10.732 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.865 -2.529 10.655 1.00 0.00 H new ATOM 725 N HIS A 49 0.787 1.292 4.170 1.00 0.00 N ATOM 726 CA HIS A 49 0.199 1.706 2.901 1.00 0.00 C ATOM 727 C HIS A 49 -0.626 0.576 2.291 1.00 0.00 C ATOM 728 O HIS A 49 -0.109 -0.507 2.022 1.00 0.00 O ATOM 729 CB HIS A 49 1.292 2.139 1.924 1.00 0.00 C ATOM 730 CG HIS A 49 1.622 3.598 2.003 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.915 4.076 2.027 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.819 4.685 2.062 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.893 5.395 2.100 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.633 5.790 2.121 1.00 0.00 N ATOM 0 H HIS A 49 1.743 0.943 4.098 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.461 2.552 3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.194 1.560 2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.975 1.901 0.909 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.757 3.501 1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.261 4.684 2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.758 6.040 2.136 1.00 0.00 H new ATOM 742 N ALA A 50 -1.911 0.838 2.076 1.00 0.00 N ATOM 743 CA ALA A 50 -2.807 -0.156 1.498 1.00 0.00 C ATOM 744 C ALA A 50 -2.111 -0.945 0.394 1.00 0.00 C ATOM 745 O ALA A 50 -2.412 -2.118 0.171 1.00 0.00 O ATOM 746 CB ALA A 50 -4.062 0.515 0.958 1.00 0.00 C ATOM 0 H ALA A 50 -2.355 1.730 2.293 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.091 -0.854 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.722 -0.239 0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.577 1.029 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.787 1.236 0.188 1.00 0.00 H new ATOM 752 N LYS A 51 -1.180 -0.295 -0.296 1.00 0.00 N ATOM 753 CA LYS A 51 -0.440 -0.935 -1.376 1.00 0.00 C ATOM 754 C LYS A 51 0.769 -1.690 -0.835 1.00 0.00 C ATOM 755 O LYS A 51 0.950 -2.876 -1.114 1.00 0.00 O ATOM 756 CB LYS A 51 0.012 0.108 -2.400 1.00 0.00 C ATOM 757 CG LYS A 51 0.875 1.208 -1.807 1.00 0.00 C ATOM 758 CD LYS A 51 1.126 2.322 -2.810 1.00 0.00 C ATOM 759 CE LYS A 51 -0.041 3.297 -2.864 1.00 0.00 C ATOM 760 NZ LYS A 51 0.172 4.359 -3.886 1.00 0.00 N ATOM 0 H LYS A 51 -0.920 0.676 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.103 -1.650 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.569 -0.391 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.868 0.557 -2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.387 1.617 -0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.827 0.789 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.037 2.857 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.289 1.893 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.958 2.754 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.176 3.757 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.644 5.003 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.034 4.894 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.276 3.922 -4.824 1.00 0.00 H new ATOM 774 N CYS A 52 1.595 -0.996 -0.058 1.00 0.00 N ATOM 775 CA CYS A 52 2.787 -1.601 0.524 1.00 0.00 C ATOM 776 C CYS A 52 2.431 -2.862 1.307 1.00 0.00 C ATOM 777 O CYS A 52 2.778 -3.973 0.906 1.00 0.00 O ATOM 778 CB CYS A 52 3.495 -0.601 1.440 1.00 0.00 C ATOM 779 SG CYS A 52 4.114 0.883 0.585 1.00 0.00 S ATOM 0 H CYS A 52 1.460 -0.014 0.183 1.00 0.00 H new ATOM 0 HA CYS A 52 3.458 -1.878 -0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.805 -0.293 2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.331 -1.101 1.928 1.00 0.00 H new ATOM 0 HG CYS A 52 4.938 1.520 1.363 1.00 0.00 H new ATOM 784 N VAL A 53 1.736 -2.680 2.425 1.00 0.00 N ATOM 785 CA VAL A 53 1.331 -3.802 3.264 1.00 0.00 C ATOM 786 C VAL A 53 0.820 -4.964 2.419 1.00 0.00 C ATOM 787 O VAL A 53 0.902 -6.123 2.824 1.00 0.00 O ATOM 788 CB VAL A 53 0.236 -3.389 4.265 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.085 -3.158 3.546 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.084 -4.441 5.352 1.00 0.00 C ATOM 0 H VAL A 53 1.442 -1.767 2.771 1.00 0.00 H new ATOM 0 HA VAL A 53 2.216 -4.119 3.816 1.00 0.00 H new ATOM 0 HB VAL A 53 0.534 -2.453 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.847 -2.867 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.964 -2.365 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.392 -4.076 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.694 -4.133 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.191 -5.394 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.028 -4.552 5.886 1.00 0.00 H new ATOM 800 N ASP A 54 0.292 -4.645 1.242 1.00 0.00 N ATOM 801 CA ASP A 54 -0.231 -5.662 0.338 1.00 0.00 C ATOM 802 C ASP A 54 0.900 -6.489 -0.264 1.00 0.00 C ATOM 803 O ASP A 54 0.785 -7.706 -0.408 1.00 0.00 O ATOM 804 CB ASP A 54 -1.051 -5.010 -0.777 1.00 0.00 C ATOM 805 CG ASP A 54 -2.126 -5.931 -1.319 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.641 -6.763 -0.543 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.452 -5.821 -2.520 1.00 0.00 O ATOM 0 H ASP A 54 0.215 -3.690 0.892 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.876 -6.326 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.514 -4.099 -0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.386 -4.716 -1.589 1.00 0.00 H new ATOM 812 N LYS A 55 1.994 -5.820 -0.614 1.00 0.00 N ATOM 813 CA LYS A 55 3.148 -6.492 -1.200 1.00 0.00 C ATOM 814 C LYS A 55 3.926 -7.263 -0.138 1.00 0.00 C ATOM 815 O LYS A 55 4.484 -8.325 -0.413 1.00 0.00 O ATOM 816 CB LYS A 55 4.065 -5.475 -1.881 1.00 0.00 C ATOM 817 CG LYS A 55 5.119 -6.107 -2.773 1.00 0.00 C ATOM 818 CD LYS A 55 5.876 -5.059 -3.572 1.00 0.00 C ATOM 819 CE LYS A 55 7.008 -5.681 -4.375 1.00 0.00 C ATOM 820 NZ LYS A 55 6.499 -6.467 -5.533 1.00 0.00 N ATOM 0 H LYS A 55 2.105 -4.812 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 55 2.785 -7.200 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.458 -4.793 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.560 -4.876 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.820 -6.676 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.644 -6.813 -3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.189 -4.547 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.280 -4.306 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.673 -4.896 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.599 -6.329 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.301 -6.875 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.884 -7.232 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.956 -5.844 -6.164 1.00 0.00 H new ATOM 834 N TRP A 56 3.957 -6.721 1.074 1.00 0.00 N ATOM 835 CA TRP A 56 4.666 -7.359 2.178 1.00 0.00 C ATOM 836 C TRP A 56 3.989 -8.665 2.578 1.00 0.00 C ATOM 837 O TRP A 56 4.577 -9.741 2.465 1.00 0.00 O ATOM 838 CB TRP A 56 4.735 -6.416 3.380 1.00 0.00 C ATOM 839 CG TRP A 56 5.386 -7.032 4.582 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.759 -7.608 5.649 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.791 -7.130 4.838 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.690 -8.059 6.554 1.00 0.00 N ATOM 843 CE2 TRP A 56 6.944 -7.778 6.079 1.00 0.00 C ATOM 844 CE3 TRP A 56 7.936 -6.736 4.139 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.194 -8.039 6.634 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.176 -6.994 4.692 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.297 -7.641 5.929 1.00 0.00 C ATOM 0 H TRP A 56 3.500 -5.842 1.317 1.00 0.00 H new ATOM 0 HA TRP A 56 5.679 -7.585 1.844 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.285 -5.519 3.098 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.725 -6.101 3.644 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.689 -7.696 5.765 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.481 -8.527 7.436 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.853 -6.239 3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.290 -8.538 7.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.067 -6.692 4.162 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.280 -7.829 6.334 1.00 0.00 H new ATOM 858 N LEU A 57 2.750 -8.564 3.046 1.00 0.00 N ATOM 859 CA LEU A 57 1.991 -9.738 3.463 1.00 0.00 C ATOM 860 C LEU A 57 2.173 -10.884 2.473 1.00 0.00 C ATOM 861 O LEU A 57 2.345 -12.038 2.866 1.00 0.00 O ATOM 862 CB LEU A 57 0.507 -9.392 3.593 1.00 0.00 C ATOM 863 CG LEU A 57 0.131 -8.472 4.755 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.306 -7.995 4.615 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.333 -9.183 6.085 1.00 0.00 C ATOM 0 H LEU A 57 2.249 -7.681 3.146 1.00 0.00 H new ATOM 0 HA LEU A 57 2.369 -10.058 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.181 -8.923 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.054 -10.321 3.695 1.00 0.00 H new ATOM 0 HG LEU A 57 0.785 -7.600 4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.556 -7.342 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.418 -7.447 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.976 -8.855 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.061 -8.513 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.295 -10.073 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.379 -9.473 6.187 1.00 0.00 H new ATOM 877 N LYS A 58 2.137 -10.557 1.185 1.00 0.00 N ATOM 878 CA LYS A 58 2.301 -11.557 0.137 1.00 0.00 C ATOM 879 C LYS A 58 3.595 -12.342 0.331 1.00 0.00 C ATOM 880 O LYS A 58 3.615 -13.565 0.198 1.00 0.00 O ATOM 881 CB LYS A 58 2.300 -10.888 -1.239 1.00 0.00 C ATOM 882 CG LYS A 58 0.938 -10.882 -1.911 1.00 0.00 C ATOM 883 CD LYS A 58 1.005 -10.275 -3.303 1.00 0.00 C ATOM 884 CE LYS A 58 0.637 -8.799 -3.286 1.00 0.00 C ATOM 885 NZ LYS A 58 -0.787 -8.587 -2.906 1.00 0.00 N ATOM 0 H LYS A 58 1.996 -9.607 0.842 1.00 0.00 H new ATOM 0 HA LYS A 58 1.463 -12.251 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.649 -9.861 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.012 -11.402 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.559 -11.902 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.233 -10.318 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.011 -10.396 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.329 -10.812 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.283 -8.272 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.818 -8.368 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.222 -7.903 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.299 -9.491 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.836 -8.219 -1.935 1.00 0.00 H new ATOM 899 N ALA A 59 4.671 -11.630 0.647 1.00 0.00 N ATOM 900 CA ALA A 59 5.968 -12.260 0.863 1.00 0.00 C ATOM 901 C ALA A 59 6.045 -12.898 2.247 1.00 0.00 C ATOM 902 O ALA A 59 6.471 -14.043 2.390 1.00 0.00 O ATOM 903 CB ALA A 59 7.085 -11.243 0.686 1.00 0.00 C ATOM 0 H ALA A 59 4.671 -10.616 0.759 1.00 0.00 H new ATOM 0 HA ALA A 59 6.089 -13.049 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.048 -11.727 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.051 -10.837 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.958 -10.434 1.406 1.00 0.00 H new ATOM 909 N ASN A 60 5.630 -12.148 3.262 1.00 0.00 N ATOM 910 CA ASN A 60 5.653 -12.640 4.635 1.00 0.00 C ATOM 911 C ASN A 60 4.355 -12.294 5.359 1.00 0.00 C ATOM 912 O ASN A 60 3.988 -11.125 5.473 1.00 0.00 O ATOM 913 CB ASN A 60 6.845 -12.048 5.391 1.00 0.00 C ATOM 914 CG ASN A 60 8.157 -12.702 5.004 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.530 -13.741 5.548 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.865 -12.093 4.059 1.00 0.00 N ATOM 0 H ASN A 60 5.274 -11.198 3.160 1.00 0.00 H new ATOM 0 HA ASN A 60 5.753 -13.725 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.903 -10.978 5.192 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.686 -12.165 6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.757 -12.486 3.757 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.517 -11.233 3.635 1.00 0.00 H new ATOM 923 N ARG A 61 3.665 -13.320 5.847 1.00 0.00 N ATOM 924 CA ARG A 61 2.408 -13.126 6.559 1.00 0.00 C ATOM 925 C ARG A 61 2.659 -12.606 7.972 1.00 0.00 C ATOM 926 O ARG A 61 2.140 -13.151 8.947 1.00 0.00 O ATOM 927 CB ARG A 61 1.623 -14.437 6.619 1.00 0.00 C ATOM 928 CG ARG A 61 2.360 -15.556 7.336 1.00 0.00 C ATOM 929 CD ARG A 61 1.951 -16.922 6.805 1.00 0.00 C ATOM 930 NE ARG A 61 2.783 -17.992 7.349 1.00 0.00 N ATOM 931 CZ ARG A 61 2.785 -19.233 6.876 1.00 0.00 C ATOM 932 NH1 ARG A 61 2.004 -19.559 5.855 1.00 0.00 N ATOM 933 NH2 ARG A 61 3.570 -20.151 7.424 1.00 0.00 N ATOM 0 H ARG A 61 3.956 -14.294 5.762 1.00 0.00 H new ATOM 0 HA ARG A 61 1.822 -12.385 6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.673 -14.259 7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.391 -14.758 5.604 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.435 -15.423 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.153 -15.503 8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.907 -17.111 7.056 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.023 -16.924 5.717 1.00 0.00 H new ATOM 0 HE ARG A 61 3.396 -17.774 8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.399 -18.856 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.008 -20.513 5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.173 -19.904 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.571 -21.104 7.060 1.00 0.00 H new ATOM 947 N THR A 62 3.458 -11.548 8.075 1.00 0.00 N ATOM 948 CA THR A 62 3.778 -10.956 9.367 1.00 0.00 C ATOM 949 C THR A 62 3.940 -9.444 9.255 1.00 0.00 C ATOM 950 O THR A 62 3.897 -8.885 8.158 1.00 0.00 O ATOM 951 CB THR A 62 5.069 -11.556 9.956 1.00 0.00 C ATOM 952 OG1 THR A 62 6.121 -11.501 8.986 1.00 0.00 O ATOM 953 CG2 THR A 62 4.847 -12.997 10.389 1.00 0.00 C ATOM 0 H THR A 62 3.895 -11.084 7.279 1.00 0.00 H new ATOM 0 HA THR A 62 2.944 -11.181 10.032 1.00 0.00 H new ATOM 0 HB THR A 62 5.350 -10.970 10.831 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.939 -11.883 9.368 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.772 -13.400 10.802 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.065 -13.033 11.148 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.544 -13.593 9.528 1.00 0.00 H new ATOM 961 N CYS A 63 4.127 -8.787 10.394 1.00 0.00 N ATOM 962 CA CYS A 63 4.296 -7.339 10.424 1.00 0.00 C ATOM 963 C CYS A 63 5.758 -6.958 10.210 1.00 0.00 C ATOM 964 O CYS A 63 6.656 -7.423 10.911 1.00 0.00 O ATOM 965 CB CYS A 63 3.800 -6.774 11.757 1.00 0.00 C ATOM 966 SG CYS A 63 4.065 -4.983 11.949 1.00 0.00 S ATOM 0 H CYS A 63 4.165 -9.235 11.310 1.00 0.00 H new ATOM 0 HA CYS A 63 3.705 -6.912 9.614 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.735 -6.986 11.856 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.305 -7.295 12.571 1.00 0.00 H new ATOM 0 HG CYS A 63 4.606 -4.506 10.867 1.00 0.00 H new ATOM 971 N PRO A 64 6.003 -6.090 9.217 1.00 0.00 N ATOM 972 CA PRO A 64 7.354 -5.626 8.887 1.00 0.00 C ATOM 973 C PRO A 64 7.930 -4.710 9.961 1.00 0.00 C ATOM 974 O PRO A 64 8.977 -4.091 9.766 1.00 0.00 O ATOM 975 CB PRO A 64 7.154 -4.856 7.579 1.00 0.00 C ATOM 976 CG PRO A 64 5.732 -4.415 7.611 1.00 0.00 C ATOM 977 CD PRO A 64 4.980 -5.495 8.340 1.00 0.00 C ATOM 0 HA PRO A 64 8.061 -6.452 8.808 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.831 -4.004 7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.353 -5.488 6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.632 -3.457 8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.342 -4.281 6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.147 -5.088 8.913 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.564 -6.230 7.651 1.00 0.00 H new ATOM 985 N ILE A 65 7.242 -4.629 11.095 1.00 0.00 N ATOM 986 CA ILE A 65 7.687 -3.790 12.200 1.00 0.00 C ATOM 987 C ILE A 65 7.970 -4.624 13.444 1.00 0.00 C ATOM 988 O ILE A 65 9.122 -4.783 13.850 1.00 0.00 O ATOM 989 CB ILE A 65 6.643 -2.712 12.545 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.369 -1.828 11.327 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.118 -1.871 13.721 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.515 -0.618 11.638 1.00 0.00 C ATOM 0 H ILE A 65 6.374 -5.135 11.272 1.00 0.00 H new ATOM 0 HA ILE A 65 8.606 -3.303 11.875 1.00 0.00 H new ATOM 0 HB ILE A 65 5.713 -3.205 12.829 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.319 -1.494 10.909 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.875 -2.424 10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.369 -1.114 13.953 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.267 -2.512 14.590 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.059 -1.384 13.464 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.362 -0.037 10.728 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.551 -0.944 12.028 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.017 -0.000 12.383 1.00 0.00 H new ATOM 1004 N CYS A 66 6.912 -5.157 14.046 1.00 0.00 N ATOM 1005 CA CYS A 66 7.045 -5.978 15.244 1.00 0.00 C ATOM 1006 C CYS A 66 6.937 -7.461 14.902 1.00 0.00 C ATOM 1007 O CYS A 66 6.615 -8.284 15.759 1.00 0.00 O ATOM 1008 CB CYS A 66 5.974 -5.599 16.268 1.00 0.00 C ATOM 1009 SG CYS A 66 4.267 -5.880 15.696 1.00 0.00 S ATOM 0 H CYS A 66 5.952 -5.035 13.724 1.00 0.00 H new ATOM 0 HA CYS A 66 8.030 -5.794 15.674 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.139 -6.172 17.180 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.090 -4.547 16.527 1.00 0.00 H new ATOM 0 HG CYS A 66 4.178 -5.582 14.434 1.00 0.00 H new ATOM 1014 N ARG A 67 7.209 -7.794 13.644 1.00 0.00 N ATOM 1015 CA ARG A 67 7.141 -9.177 13.189 1.00 0.00 C ATOM 1016 C ARG A 67 5.977 -9.911 13.849 1.00 0.00 C ATOM 1017 O ARG A 67 6.011 -11.130 14.013 1.00 0.00 O ATOM 1018 CB ARG A 67 8.453 -9.902 13.494 1.00 0.00 C ATOM 1019 CG ARG A 67 8.795 -9.945 14.975 1.00 0.00 C ATOM 1020 CD ARG A 67 10.226 -10.405 15.203 1.00 0.00 C ATOM 1021 NE ARG A 67 10.413 -10.970 16.537 1.00 0.00 N ATOM 1022 CZ ARG A 67 10.157 -12.237 16.841 1.00 0.00 C ATOM 1023 NH1 ARG A 67 9.706 -13.067 15.912 1.00 0.00 N ATOM 1024 NH2 ARG A 67 10.353 -12.676 18.078 1.00 0.00 N ATOM 0 H ARG A 67 7.478 -7.125 12.923 1.00 0.00 H new ATOM 0 HA ARG A 67 6.979 -9.170 12.111 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.392 -10.922 13.114 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.264 -9.410 12.957 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.656 -8.955 15.411 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.109 -10.619 15.489 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.491 -11.150 14.453 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.904 -9.562 15.068 1.00 0.00 H new ATOM 0 HE ARG A 67 10.759 -10.358 17.276 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.555 -12.733 14.960 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.510 -14.040 16.149 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.700 -12.040 18.796 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.156 -13.649 18.311 1.00 0.00 H new ATOM 1038 N ALA A 68 4.948 -9.159 14.225 1.00 0.00 N ATOM 1039 CA ALA A 68 3.773 -9.737 14.865 1.00 0.00 C ATOM 1040 C ALA A 68 2.841 -10.367 13.836 1.00 0.00 C ATOM 1041 O ALA A 68 2.148 -9.665 13.099 1.00 0.00 O ATOM 1042 CB ALA A 68 3.034 -8.677 15.669 1.00 0.00 C ATOM 0 H ALA A 68 4.904 -8.148 14.097 1.00 0.00 H new ATOM 0 HA ALA A 68 4.109 -10.523 15.542 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.159 -9.123 16.141 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.696 -8.276 16.437 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.718 -7.872 15.006 1.00 0.00 H new ATOM 1048 N ASP A 69 2.830 -11.695 13.789 1.00 0.00 N ATOM 1049 CA ASP A 69 1.982 -12.420 12.850 1.00 0.00 C ATOM 1050 C ASP A 69 0.572 -11.839 12.830 1.00 0.00 C ATOM 1051 O ASP A 69 -0.164 -11.935 13.813 1.00 0.00 O ATOM 1052 CB ASP A 69 1.931 -13.904 13.217 1.00 0.00 C ATOM 1053 CG ASP A 69 1.615 -14.785 12.024 1.00 0.00 C ATOM 1054 OD1 ASP A 69 2.564 -15.205 11.329 1.00 0.00 O ATOM 1055 OD2 ASP A 69 0.419 -15.054 11.786 1.00 0.00 O ATOM 0 H ASP A 69 3.399 -12.291 14.390 1.00 0.00 H new ATOM 0 HA ASP A 69 2.412 -12.315 11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.889 -14.203 13.642 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.177 -14.059 13.989 1.00 0.00 H new ATOM 1060 N SER A 70 0.201 -11.235 11.705 1.00 0.00 N ATOM 1061 CA SER A 70 -1.119 -10.634 11.559 1.00 0.00 C ATOM 1062 C SER A 70 -2.216 -11.656 11.846 1.00 0.00 C ATOM 1063 O SER A 70 -3.128 -11.400 12.630 1.00 0.00 O ATOM 1064 CB SER A 70 -1.291 -10.067 10.149 1.00 0.00 C ATOM 1065 OG SER A 70 -2.341 -9.116 10.107 1.00 0.00 O ATOM 0 H SER A 70 0.797 -11.149 10.881 1.00 0.00 H new ATOM 0 HA SER A 70 -1.204 -9.823 12.282 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.361 -9.601 9.825 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.502 -10.877 9.451 1.00 0.00 H new ATOM 0 HG SER A 70 -2.430 -8.767 9.196 1.00 0.00 H new