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 44 CYS SG : rot 99:sc= -0.616 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.0406 K(o=-7.4,f=-8.6) USER MOD Set 1.3: A 63 CYS SG : rot 3:sc= -2.92! USER MOD Set 1.4: A 66 CYS SG : rot -41:sc= -3.84! USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= -0.445 USER MOD Set 2.2: A 29 CYS SG : rot -57:sc= -1.35 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.21 X(o=-4.5,f=-4.1) USER MOD Set 2.4: A 52 CYS SG : rot -165:sc= -1.5! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -60:sc= -1.34! USER MOD Single : A 30 MET CE :methyl -117:sc= -3.69! (180deg=-6.79!) 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= -4.83! C(o=-4.8!,f=-4.5!) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0221 F(o=-1.9!,f=-0.022) USER MOD Single : A 51 LYS NZ :NH3+ -133:sc= -1.49! (180deg=-3.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -49:sc= 0.621 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.663 3.600 5.739 1.00 0.00 N ATOM 128 CA TYR A 12 -9.931 5.001 6.040 1.00 0.00 C ATOM 129 C TYR A 12 -8.803 5.893 5.529 1.00 0.00 C ATOM 130 O TYR A 12 -7.656 5.461 5.419 1.00 0.00 O ATOM 131 CB TYR A 12 -10.107 5.196 7.547 1.00 0.00 C ATOM 132 CG TYR A 12 -8.803 5.373 8.292 1.00 0.00 C ATOM 133 CD1 TYR A 12 -8.220 6.628 8.424 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.153 4.285 8.862 1.00 0.00 C ATOM 135 CE1 TYR A 12 -7.028 6.794 9.102 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.961 4.443 9.543 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.403 5.699 9.661 1.00 0.00 C ATOM 138 OH TYR A 12 -5.216 5.859 10.338 1.00 0.00 O ATOM 0 HA TYR A 12 -10.853 5.285 5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.736 6.069 7.721 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.636 4.335 7.957 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.707 7.488 7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.586 3.300 8.771 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.588 7.776 9.194 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.469 3.587 9.981 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.909 4.990 10.670 1.00 0.00 H new ATOM 148 N ARG A 13 -9.139 7.141 5.220 1.00 0.00 N ATOM 149 CA ARG A 13 -8.157 8.095 4.720 1.00 0.00 C ATOM 150 C ARG A 13 -7.454 8.806 5.873 1.00 0.00 C ATOM 151 O ARG A 13 -8.099 9.421 6.722 1.00 0.00 O ATOM 152 CB ARG A 13 -8.830 9.122 3.807 1.00 0.00 C ATOM 153 CG ARG A 13 -9.495 8.509 2.586 1.00 0.00 C ATOM 154 CD ARG A 13 -10.214 9.560 1.756 1.00 0.00 C ATOM 155 NE ARG A 13 -11.607 9.721 2.164 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.416 10.650 1.666 1.00 0.00 C ATOM 157 NH1 ARG A 13 -11.973 11.495 0.746 1.00 0.00 N ATOM 158 NH2 ARG A 13 -13.671 10.733 2.087 1.00 0.00 N ATOM 0 H ARG A 13 -10.084 7.515 5.307 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.411 7.544 4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.578 9.670 4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.085 9.847 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.744 8.011 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.205 7.745 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.696 10.514 1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.175 9.280 0.703 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.979 9.086 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.009 11.433 0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.596 12.207 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.016 10.083 2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.291 11.447 1.704 1.00 0.00 H new ATOM 172 N PHE A 14 -6.128 8.718 5.896 1.00 0.00 N ATOM 173 CA PHE A 14 -5.338 9.351 6.944 1.00 0.00 C ATOM 174 C PHE A 14 -5.771 10.799 7.153 1.00 0.00 C ATOM 175 O PHE A 14 -6.211 11.467 6.218 1.00 0.00 O ATOM 176 CB PHE A 14 -3.849 9.298 6.594 1.00 0.00 C ATOM 177 CG PHE A 14 -3.017 10.283 7.362 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.162 11.645 7.153 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.088 9.848 8.294 1.00 0.00 C ATOM 180 CE1 PHE A 14 -2.397 12.555 7.859 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.321 10.753 9.003 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.475 12.108 8.785 1.00 0.00 C ATOM 0 H PHE A 14 -5.578 8.214 5.200 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.506 8.802 7.871 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.475 8.292 6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.728 9.486 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.881 12.000 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.962 8.790 8.468 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.520 13.614 7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.601 10.401 9.727 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.876 12.817 9.337 1.00 0.00 H new ATOM 326 N THR A 24 3.352 7.859 12.908 1.00 0.00 N ATOM 327 CA THR A 24 2.681 7.153 11.824 1.00 0.00 C ATOM 328 C THR A 24 3.507 7.200 10.543 1.00 0.00 C ATOM 329 O THR A 24 3.506 8.203 9.828 1.00 0.00 O ATOM 330 CB THR A 24 1.288 7.746 11.544 1.00 0.00 C ATOM 331 OG1 THR A 24 0.601 6.947 10.575 1.00 0.00 O ATOM 332 CG2 THR A 24 1.399 9.177 11.041 1.00 0.00 C ATOM 0 HA THR A 24 2.569 6.117 12.144 1.00 0.00 H new ATOM 0 HB THR A 24 0.725 7.749 12.477 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.119 6.925 9.743 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.402 9.574 10.850 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.896 9.790 11.793 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.979 9.194 10.118 1.00 0.00 H new ATOM 340 N LEU A 25 4.212 6.111 10.259 1.00 0.00 N ATOM 341 CA LEU A 25 5.043 6.028 9.062 1.00 0.00 C ATOM 342 C LEU A 25 5.007 4.622 8.471 1.00 0.00 C ATOM 343 O LEU A 25 4.750 3.646 9.177 1.00 0.00 O ATOM 344 CB LEU A 25 6.485 6.418 9.391 1.00 0.00 C ATOM 345 CG LEU A 25 7.535 6.052 8.342 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.666 7.069 8.341 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.075 4.652 8.593 1.00 0.00 C ATOM 0 H LEU A 25 4.225 5.273 10.841 1.00 0.00 H new ATOM 0 HA LEU A 25 4.644 6.723 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.521 7.495 9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.762 5.946 10.333 1.00 0.00 H new ATOM 0 HG LEU A 25 7.060 6.066 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.404 6.792 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.267 8.057 8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.139 7.088 9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.821 4.409 7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.533 4.611 9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.258 3.932 8.541 1.00 0.00 H new ATOM 359 N CYS A 26 5.268 4.526 7.171 1.00 0.00 N ATOM 360 CA CYS A 26 5.267 3.240 6.484 1.00 0.00 C ATOM 361 C CYS A 26 6.637 2.574 6.576 1.00 0.00 C ATOM 362 O CYS A 26 7.529 2.851 5.774 1.00 0.00 O ATOM 363 CB CYS A 26 4.874 3.423 5.017 1.00 0.00 C ATOM 364 SG CYS A 26 4.722 1.863 4.088 1.00 0.00 S ATOM 0 H CYS A 26 5.483 5.324 6.573 1.00 0.00 H new ATOM 0 HA CYS A 26 4.536 2.595 6.971 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.924 3.955 4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.617 4.053 4.529 1.00 0.00 H new ATOM 0 HG CYS A 26 3.811 1.117 4.639 1.00 0.00 H new ATOM 369 N VAL A 27 6.796 1.693 7.559 1.00 0.00 N ATOM 370 CA VAL A 27 8.056 0.986 7.755 1.00 0.00 C ATOM 371 C VAL A 27 8.512 0.309 6.468 1.00 0.00 C ATOM 372 O VAL A 27 9.709 0.214 6.193 1.00 0.00 O ATOM 373 CB VAL A 27 7.937 -0.075 8.866 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.518 -1.415 8.282 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.250 -0.201 9.624 1.00 0.00 C ATOM 0 H VAL A 27 6.068 1.452 8.232 1.00 0.00 H new ATOM 0 HA VAL A 27 8.794 1.731 8.051 1.00 0.00 H new ATOM 0 HB VAL A 27 7.167 0.244 9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.439 -2.152 9.081 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.552 -1.311 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.262 -1.745 7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.148 -0.955 10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.041 -0.497 8.935 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.503 0.758 10.076 1.00 0.00 H new ATOM 385 N VAL A 28 7.550 -0.162 5.680 1.00 0.00 N ATOM 386 CA VAL A 28 7.853 -0.830 4.419 1.00 0.00 C ATOM 387 C VAL A 28 8.732 0.044 3.532 1.00 0.00 C ATOM 388 O VAL A 28 9.896 -0.273 3.287 1.00 0.00 O ATOM 389 CB VAL A 28 6.567 -1.191 3.653 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.899 -1.969 2.389 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.621 -1.984 4.544 1.00 0.00 C ATOM 0 H VAL A 28 6.555 -0.093 5.892 1.00 0.00 H new ATOM 0 HA VAL A 28 8.389 -1.746 4.666 1.00 0.00 H new ATOM 0 HB VAL A 28 6.067 -0.267 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.978 -2.215 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.535 -1.362 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.422 -2.888 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.717 -2.231 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.110 -2.903 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.357 -1.387 5.417 1.00 0.00 H new ATOM 401 N CYS A 29 8.167 1.147 3.051 1.00 0.00 N ATOM 402 CA CYS A 29 8.898 2.069 2.190 1.00 0.00 C ATOM 403 C CYS A 29 9.393 3.276 2.981 1.00 0.00 C ATOM 404 O CYS A 29 9.594 4.355 2.425 1.00 0.00 O ATOM 405 CB CYS A 29 8.009 2.532 1.034 1.00 0.00 C ATOM 406 SG CYS A 29 6.642 3.625 1.539 1.00 0.00 S ATOM 0 H CYS A 29 7.204 1.424 3.243 1.00 0.00 H new ATOM 0 HA CYS A 29 9.763 1.542 1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.626 3.054 0.302 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.594 1.656 0.535 1.00 0.00 H new ATOM 0 HG CYS A 29 5.915 3.025 2.434 1.00 0.00 H new ATOM 411 N MET A 30 9.587 3.084 4.282 1.00 0.00 N ATOM 412 CA MET A 30 10.061 4.156 5.150 1.00 0.00 C ATOM 413 C MET A 30 9.561 5.512 4.661 1.00 0.00 C ATOM 414 O MET A 30 10.324 6.476 4.589 1.00 0.00 O ATOM 415 CB MET A 30 11.590 4.155 5.210 1.00 0.00 C ATOM 416 CG MET A 30 12.166 2.982 5.986 1.00 0.00 C ATOM 417 SD MET A 30 12.603 3.417 7.680 1.00 0.00 S ATOM 418 CE MET A 30 11.016 3.248 8.494 1.00 0.00 C ATOM 0 H MET A 30 9.423 2.197 4.758 1.00 0.00 H new ATOM 0 HA MET A 30 9.665 3.981 6.151 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.985 4.138 4.194 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.928 5.084 5.668 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.440 2.169 6.000 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.052 2.610 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.704 4.216 8.887 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.276 2.891 7.778 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.102 2.534 9.313 1.00 0.00 H new ATOM 428 N CYS A 31 8.277 5.578 4.325 1.00 0.00 N ATOM 429 CA CYS A 31 7.676 6.816 3.842 1.00 0.00 C ATOM 430 C CYS A 31 6.485 7.216 4.706 1.00 0.00 C ATOM 431 O CYS A 31 5.765 6.360 5.221 1.00 0.00 O ATOM 432 CB CYS A 31 7.236 6.659 2.386 1.00 0.00 C ATOM 433 SG CYS A 31 6.909 8.224 1.541 1.00 0.00 S ATOM 0 H CYS A 31 7.633 4.789 4.378 1.00 0.00 H new ATOM 0 HA CYS A 31 8.427 7.604 3.904 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.009 6.118 1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.335 6.046 2.354 1.00 0.00 H new ATOM 0 HG CYS A 31 6.546 7.988 0.315 1.00 0.00 H new ATOM 439 N ASP A 32 6.283 8.520 4.860 1.00 0.00 N ATOM 440 CA ASP A 32 5.179 9.033 5.662 1.00 0.00 C ATOM 441 C ASP A 32 3.875 9.007 4.871 1.00 0.00 C ATOM 442 O ASP A 32 3.800 9.533 3.761 1.00 0.00 O ATOM 443 CB ASP A 32 5.479 10.458 6.129 1.00 0.00 C ATOM 444 CG ASP A 32 4.312 11.083 6.869 1.00 0.00 C ATOM 445 OD1 ASP A 32 4.054 10.675 8.020 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.657 11.979 6.297 1.00 0.00 O ATOM 0 H ASP A 32 6.870 9.241 4.440 1.00 0.00 H new ATOM 0 HA ASP A 32 5.066 8.390 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.354 10.448 6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.730 11.075 5.266 1.00 0.00 H new ATOM 451 N PHE A 33 2.850 8.391 5.451 1.00 0.00 N ATOM 452 CA PHE A 33 1.549 8.295 4.799 1.00 0.00 C ATOM 453 C PHE A 33 1.029 9.677 4.414 1.00 0.00 C ATOM 454 O PHE A 33 1.124 10.625 5.192 1.00 0.00 O ATOM 455 CB PHE A 33 0.544 7.598 5.720 1.00 0.00 C ATOM 456 CG PHE A 33 1.117 6.414 6.446 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.383 5.233 5.772 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.389 6.483 7.803 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.910 4.143 6.437 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.917 5.396 8.473 1.00 0.00 C ATOM 461 CZ PHE A 33 2.177 4.224 7.789 1.00 0.00 C ATOM 0 H PHE A 33 2.895 7.951 6.370 1.00 0.00 H new ATOM 0 HA PHE A 33 1.669 7.706 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.173 8.317 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.313 7.272 5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.176 5.164 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.186 7.396 8.343 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.113 3.228 5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.126 5.462 9.530 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.588 3.373 8.311 1.00 0.00 H new ATOM 471 N GLU A 34 0.480 9.781 3.208 1.00 0.00 N ATOM 472 CA GLU A 34 -0.053 11.048 2.719 1.00 0.00 C ATOM 473 C GLU A 34 -1.210 11.524 3.593 1.00 0.00 C ATOM 474 O GLU A 34 -1.517 10.919 4.620 1.00 0.00 O ATOM 475 CB GLU A 34 -0.520 10.904 1.269 1.00 0.00 C ATOM 476 CG GLU A 34 0.604 11.025 0.253 1.00 0.00 C ATOM 477 CD GLU A 34 1.512 12.208 0.526 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.991 13.285 0.884 1.00 0.00 O ATOM 479 OE2 GLU A 34 2.744 12.057 0.382 1.00 0.00 O ATOM 0 H GLU A 34 0.393 9.005 2.552 1.00 0.00 H new ATOM 0 HA GLU A 34 0.744 11.791 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.006 9.936 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.271 11.666 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.195 10.109 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.177 11.122 -0.745 1.00 0.00 H new ATOM 486 N SER A 35 -1.848 12.614 3.177 1.00 0.00 N ATOM 487 CA SER A 35 -2.968 13.175 3.923 1.00 0.00 C ATOM 488 C SER A 35 -4.297 12.672 3.367 1.00 0.00 C ATOM 489 O SER A 35 -5.317 12.691 4.056 1.00 0.00 O ATOM 490 CB SER A 35 -2.927 14.704 3.873 1.00 0.00 C ATOM 491 OG SER A 35 -4.233 15.251 3.925 1.00 0.00 O ATOM 0 H SER A 35 -1.608 13.126 2.328 1.00 0.00 H new ATOM 0 HA SER A 35 -2.881 12.850 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.337 15.083 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.430 15.028 2.959 1.00 0.00 H new ATOM 0 HG SER A 35 -4.180 16.229 3.893 1.00 0.00 H new ATOM 497 N ARG A 36 -4.276 12.224 2.116 1.00 0.00 N ATOM 498 CA ARG A 36 -5.479 11.717 1.466 1.00 0.00 C ATOM 499 C ARG A 36 -5.188 10.418 0.722 1.00 0.00 C ATOM 500 O ARG A 36 -5.135 10.394 -0.507 1.00 0.00 O ATOM 501 CB ARG A 36 -6.037 12.760 0.495 1.00 0.00 C ATOM 502 CG ARG A 36 -6.621 13.982 1.184 1.00 0.00 C ATOM 503 CD ARG A 36 -8.082 13.771 1.550 1.00 0.00 C ATOM 504 NE ARG A 36 -8.235 13.192 2.882 1.00 0.00 N ATOM 505 CZ ARG A 36 -9.330 13.328 3.621 1.00 0.00 C ATOM 506 NH1 ARG A 36 -10.364 14.019 3.160 1.00 0.00 N ATOM 507 NH2 ARG A 36 -9.393 12.771 4.824 1.00 0.00 N ATOM 0 H ARG A 36 -3.440 12.202 1.532 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.222 11.515 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.242 13.079 -0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.809 12.296 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.047 14.202 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.530 14.848 0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.608 14.725 1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.549 13.116 0.814 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.458 12.654 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.320 14.448 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.204 14.122 3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.600 12.238 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.234 12.876 5.391 1.00 0.00 H new ATOM 521 N GLN A 37 -5.000 9.339 1.476 1.00 0.00 N ATOM 522 CA GLN A 37 -4.714 8.036 0.887 1.00 0.00 C ATOM 523 C GLN A 37 -5.169 6.910 1.809 1.00 0.00 C ATOM 524 O GLN A 37 -5.041 7.003 3.031 1.00 0.00 O ATOM 525 CB GLN A 37 -3.217 7.902 0.599 1.00 0.00 C ATOM 526 CG GLN A 37 -2.686 8.951 -0.364 1.00 0.00 C ATOM 527 CD GLN A 37 -1.263 8.671 -0.804 1.00 0.00 C ATOM 528 OE1 GLN A 37 -0.584 7.812 -0.242 1.00 0.00 O ATOM 529 NE2 GLN A 37 -0.802 9.398 -1.816 1.00 0.00 N ATOM 0 H GLN A 37 -5.041 9.342 2.495 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.266 7.959 -0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.667 7.971 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.022 6.912 0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.332 8.994 -1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.729 9.931 0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.399 10.100 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.149 9.254 -2.156 1.00 0.00 H new ATOM 538 N LEU A 38 -5.703 5.847 1.217 1.00 0.00 N ATOM 539 CA LEU A 38 -6.179 4.702 1.985 1.00 0.00 C ATOM 540 C LEU A 38 -5.012 3.936 2.599 1.00 0.00 C ATOM 541 O LEU A 38 -4.110 3.486 1.892 1.00 0.00 O ATOM 542 CB LEU A 38 -7.002 3.771 1.093 1.00 0.00 C ATOM 543 CG LEU A 38 -8.123 2.996 1.786 1.00 0.00 C ATOM 544 CD1 LEU A 38 -7.547 1.987 2.767 1.00 0.00 C ATOM 545 CD2 LEU A 38 -9.073 3.951 2.496 1.00 0.00 C ATOM 0 H LEU A 38 -5.817 5.754 0.208 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.811 5.074 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.440 4.363 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.325 3.054 0.628 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.686 2.453 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.360 1.445 3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.909 1.283 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.959 2.509 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.864 3.382 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.523 4.522 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.513 4.634 1.769 1.00 0.00 H new ATOM 557 N LEU A 39 -5.037 3.788 3.919 1.00 0.00 N ATOM 558 CA LEU A 39 -3.983 3.073 4.630 1.00 0.00 C ATOM 559 C LEU A 39 -4.558 1.913 5.435 1.00 0.00 C ATOM 560 O LEU A 39 -5.660 2.007 5.977 1.00 0.00 O ATOM 561 CB LEU A 39 -3.228 4.028 5.557 1.00 0.00 C ATOM 562 CG LEU A 39 -2.820 5.371 4.950 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.318 6.314 6.031 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.758 5.171 3.878 1.00 0.00 C ATOM 0 H LEU A 39 -5.776 4.154 4.519 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.290 2.669 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.850 4.221 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.329 3.524 5.911 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.698 5.820 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.032 7.265 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.108 6.482 6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.453 5.872 6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.480 6.137 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.879 4.701 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.154 4.532 3.089 1.00 0.00 H new ATOM 576 N ARG A 40 -3.805 0.820 5.511 1.00 0.00 N ATOM 577 CA ARG A 40 -4.240 -0.358 6.251 1.00 0.00 C ATOM 578 C ARG A 40 -3.480 -0.484 7.568 1.00 0.00 C ATOM 579 O ARG A 40 -2.251 -0.556 7.583 1.00 0.00 O ATOM 580 CB ARG A 40 -4.037 -1.619 5.409 1.00 0.00 C ATOM 581 CG ARG A 40 -5.094 -1.811 4.335 1.00 0.00 C ATOM 582 CD ARG A 40 -5.328 -3.285 4.041 1.00 0.00 C ATOM 583 NE ARG A 40 -5.843 -3.499 2.691 1.00 0.00 N ATOM 584 CZ ARG A 40 -6.550 -4.565 2.335 1.00 0.00 C ATOM 585 NH1 ARG A 40 -6.825 -5.510 3.224 1.00 0.00 N ATOM 586 NH2 ARG A 40 -6.984 -4.689 1.087 1.00 0.00 N ATOM 0 H ARG A 40 -2.891 0.726 5.069 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.301 -0.245 6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.055 -1.576 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.037 -2.488 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.028 -1.350 4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.784 -1.302 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.393 -3.832 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.032 -3.692 4.766 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.649 -2.791 1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.493 -5.419 4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.368 -6.328 2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.775 -3.965 0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.527 -5.508 0.815 1.00 0.00 H new ATOM 600 N VAL A 41 -4.219 -0.509 8.672 1.00 0.00 N ATOM 601 CA VAL A 41 -3.615 -0.627 9.994 1.00 0.00 C ATOM 602 C VAL A 41 -3.556 -2.082 10.444 1.00 0.00 C ATOM 603 O VAL A 41 -4.586 -2.744 10.579 1.00 0.00 O ATOM 604 CB VAL A 41 -4.393 0.191 11.042 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.734 0.075 12.408 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.495 1.647 10.612 1.00 0.00 C ATOM 0 H VAL A 41 -5.237 -0.449 8.677 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.602 -0.233 9.915 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.402 -0.214 11.117 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.298 0.660 13.135 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.718 -0.970 12.717 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.713 0.452 12.353 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.048 2.211 11.364 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.494 2.066 10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.016 1.709 9.657 1.00 0.00 H new ATOM 616 N LEU A 42 -2.344 -2.576 10.674 1.00 0.00 N ATOM 617 CA LEU A 42 -2.150 -3.954 11.109 1.00 0.00 C ATOM 618 C LEU A 42 -2.826 -4.201 12.454 1.00 0.00 C ATOM 619 O LEU A 42 -3.091 -3.277 13.223 1.00 0.00 O ATOM 620 CB LEU A 42 -0.657 -4.272 11.211 1.00 0.00 C ATOM 621 CG LEU A 42 0.059 -4.564 9.892 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.470 -5.069 10.150 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.729 -5.574 9.070 1.00 0.00 C ATOM 0 H LEU A 42 -1.481 -2.042 10.566 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.606 -4.610 10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.159 -3.431 11.693 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.534 -5.134 11.867 1.00 0.00 H new ATOM 0 HG LEU A 42 0.126 -3.636 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.964 -5.271 9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.033 -4.313 10.697 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.427 -5.985 10.738 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.205 -5.770 8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.828 -6.503 9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.719 -5.174 8.854 1.00 0.00 H new ATOM 635 N PRO A 43 -3.112 -5.479 12.747 1.00 0.00 N ATOM 636 CA PRO A 43 -3.759 -5.878 14.001 1.00 0.00 C ATOM 637 C PRO A 43 -2.842 -5.703 15.207 1.00 0.00 C ATOM 638 O PRO A 43 -3.182 -6.104 16.321 1.00 0.00 O ATOM 639 CB PRO A 43 -4.077 -7.359 13.780 1.00 0.00 C ATOM 640 CG PRO A 43 -3.079 -7.814 12.772 1.00 0.00 C ATOM 641 CD PRO A 43 -2.825 -6.632 11.878 1.00 0.00 C ATOM 0 HA PRO A 43 -4.636 -5.268 14.220 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.990 -7.925 14.707 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.096 -7.495 13.418 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.159 -8.143 13.255 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.460 -8.661 12.201 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.797 -6.616 11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.472 -6.645 11.001 1.00 0.00 H new ATOM 649 N CYS A 44 -1.680 -5.102 14.979 1.00 0.00 N ATOM 650 CA CYS A 44 -0.713 -4.874 16.046 1.00 0.00 C ATOM 651 C CYS A 44 -0.563 -3.383 16.335 1.00 0.00 C ATOM 652 O CYS A 44 0.441 -2.948 16.895 1.00 0.00 O ATOM 653 CB CYS A 44 0.644 -5.472 15.670 1.00 0.00 C ATOM 654 SG CYS A 44 1.129 -5.184 13.938 1.00 0.00 S ATOM 0 H CYS A 44 -1.384 -4.763 14.063 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.081 -5.365 16.947 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.408 -5.052 16.325 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.620 -6.546 15.856 1.00 0.00 H new ATOM 0 HG CYS A 44 1.953 -4.180 13.879 1.00 0.00 H new ATOM 659 N ASN A 45 -1.570 -2.607 15.948 1.00 0.00 N ATOM 660 CA ASN A 45 -1.550 -1.165 16.164 1.00 0.00 C ATOM 661 C ASN A 45 -0.437 -0.508 15.353 1.00 0.00 C ATOM 662 O ASN A 45 0.376 0.245 15.890 1.00 0.00 O ATOM 663 CB ASN A 45 -1.365 -0.854 17.651 1.00 0.00 C ATOM 664 CG ASN A 45 -2.440 -1.487 18.512 1.00 0.00 C ATOM 665 OD1 ASN A 45 -2.297 -2.780 18.782 1.00 0.00 O flip ATOM 666 ND2 ASN A 45 -3.388 -0.822 18.931 1.00 0.00 N flip ATOM 0 H ASN A 45 -2.410 -2.952 15.483 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.505 -0.760 15.831 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.387 -1.210 17.975 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.375 0.226 17.798 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.458 0.169 18.699 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.103 -1.262 19.510 1.00 0.00 H new ATOM 673 N HIS A 46 -0.407 -0.799 14.056 1.00 0.00 N ATOM 674 CA HIS A 46 0.605 -0.236 13.170 1.00 0.00 C ATOM 675 C HIS A 46 -0.012 0.193 11.843 1.00 0.00 C ATOM 676 O HIS A 46 -0.824 -0.527 11.264 1.00 0.00 O ATOM 677 CB HIS A 46 1.719 -1.253 12.922 1.00 0.00 C ATOM 678 CG HIS A 46 2.721 -1.327 14.034 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.321 -2.504 14.428 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.228 -0.361 14.834 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.153 -2.259 15.425 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.116 -0.966 15.690 1.00 0.00 N ATOM 0 H HIS A 46 -1.072 -1.421 13.596 1.00 0.00 H new ATOM 0 HA HIS A 46 1.028 0.644 13.655 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.275 -2.238 12.778 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.234 -0.997 11.996 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.981 0.690 14.805 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.760 -2.992 15.936 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.659 -0.493 16.413 1.00 0.00 H new ATOM 690 N GLU A 47 0.378 1.372 11.367 1.00 0.00 N ATOM 691 CA GLU A 47 -0.139 1.897 10.109 1.00 0.00 C ATOM 692 C GLU A 47 0.768 1.511 8.944 1.00 0.00 C ATOM 693 O GLU A 47 1.988 1.433 9.092 1.00 0.00 O ATOM 694 CB GLU A 47 -0.274 3.419 10.182 1.00 0.00 C ATOM 695 CG GLU A 47 -1.145 3.898 11.331 1.00 0.00 C ATOM 696 CD GLU A 47 -1.495 5.370 11.223 1.00 0.00 C ATOM 697 OE1 GLU A 47 -2.084 5.765 10.195 1.00 0.00 O ATOM 698 OE2 GLU A 47 -1.180 6.126 12.165 1.00 0.00 O ATOM 0 H GLU A 47 1.050 1.981 11.834 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.123 1.460 9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.718 3.859 10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.692 3.784 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.063 3.311 11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.627 3.720 12.273 1.00 0.00 H new ATOM 705 N PHE A 48 0.163 1.269 7.786 1.00 0.00 N ATOM 706 CA PHE A 48 0.916 0.889 6.596 1.00 0.00 C ATOM 707 C PHE A 48 0.194 1.341 5.329 1.00 0.00 C ATOM 708 O PHE A 48 -0.967 1.748 5.374 1.00 0.00 O ATOM 709 CB PHE A 48 1.127 -0.626 6.562 1.00 0.00 C ATOM 710 CG PHE A 48 1.916 -1.147 7.729 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.301 -1.127 7.711 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.272 -1.658 8.845 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.030 -1.606 8.783 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.995 -2.138 9.920 1.00 0.00 C ATOM 715 CZ PHE A 48 3.376 -2.113 9.889 1.00 0.00 C ATOM 0 H PHE A 48 -0.846 1.329 7.646 1.00 0.00 H new ATOM 0 HA PHE A 48 1.887 1.383 6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.156 -1.120 6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.640 -0.893 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.818 -0.732 6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.193 -1.681 8.875 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.109 -1.584 8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.481 -2.533 10.784 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.943 -2.489 10.728 1.00 0.00 H new ATOM 725 N HIS A 49 0.892 1.268 4.200 1.00 0.00 N ATOM 726 CA HIS A 49 0.319 1.670 2.920 1.00 0.00 C ATOM 727 C HIS A 49 -0.497 0.535 2.310 1.00 0.00 C ATOM 728 O HIS A 49 0.033 -0.538 2.021 1.00 0.00 O ATOM 729 CB HIS A 49 1.425 2.096 1.954 1.00 0.00 C ATOM 730 CG HIS A 49 1.743 3.558 2.014 1.00 0.00 C ATOM 731 ND1 HIS A 49 3.029 4.052 1.955 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.932 4.636 2.128 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.996 5.370 2.031 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.735 5.750 2.136 1.00 0.00 N ATOM 0 H HIS A 49 1.854 0.935 4.145 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.345 2.516 3.096 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.328 1.527 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.127 1.839 0.938 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.874 3.488 1.866 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.146 4.622 2.199 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.854 6.026 2.011 1.00 0.00 H new ATOM 742 N ALA A 50 -1.789 0.778 2.117 1.00 0.00 N ATOM 743 CA ALA A 50 -2.678 -0.223 1.541 1.00 0.00 C ATOM 744 C ALA A 50 -1.972 -1.018 0.447 1.00 0.00 C ATOM 745 O ALA A 50 -2.200 -2.218 0.293 1.00 0.00 O ATOM 746 CB ALA A 50 -3.932 0.439 0.989 1.00 0.00 C ATOM 0 H ALA A 50 -2.244 1.660 2.351 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.965 -0.917 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.587 -0.321 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.454 0.957 1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.655 1.155 0.216 1.00 0.00 H new ATOM 752 N LYS A 51 -1.116 -0.342 -0.311 1.00 0.00 N ATOM 753 CA LYS A 51 -0.376 -0.985 -1.390 1.00 0.00 C ATOM 754 C LYS A 51 0.835 -1.737 -0.847 1.00 0.00 C ATOM 755 O LYS A 51 0.991 -2.936 -1.083 1.00 0.00 O ATOM 756 CB LYS A 51 0.076 0.056 -2.417 1.00 0.00 C ATOM 757 CG LYS A 51 0.953 1.148 -1.830 1.00 0.00 C ATOM 758 CD LYS A 51 1.105 2.317 -2.789 1.00 0.00 C ATOM 759 CE LYS A 51 -0.202 3.076 -2.954 1.00 0.00 C ATOM 760 NZ LYS A 51 -1.057 2.483 -4.019 1.00 0.00 N ATOM 0 H LYS A 51 -0.917 0.652 -0.198 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.039 -1.701 -1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.622 -0.447 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.804 0.513 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.521 1.499 -0.893 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.936 0.739 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.876 2.994 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.440 1.951 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.745 3.074 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.011 4.117 -3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.412 3.238 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.497 1.809 -4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.860 1.987 -3.583 1.00 0.00 H new ATOM 774 N CYS A 52 1.689 -1.027 -0.118 1.00 0.00 N ATOM 775 CA CYS A 52 2.885 -1.628 0.460 1.00 0.00 C ATOM 776 C CYS A 52 2.532 -2.872 1.271 1.00 0.00 C ATOM 777 O CYS A 52 2.841 -3.994 0.871 1.00 0.00 O ATOM 778 CB CYS A 52 3.611 -0.616 1.349 1.00 0.00 C ATOM 779 SG CYS A 52 4.143 0.893 0.477 1.00 0.00 S ATOM 0 H CYS A 52 1.575 -0.034 0.087 1.00 0.00 H new ATOM 0 HA CYS A 52 3.544 -1.923 -0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.954 -0.335 2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.485 -1.096 1.789 1.00 0.00 H new ATOM 0 HG CYS A 52 5.007 1.534 1.207 1.00 0.00 H new ATOM 784 N VAL A 53 1.883 -2.663 2.412 1.00 0.00 N ATOM 785 CA VAL A 53 1.486 -3.767 3.278 1.00 0.00 C ATOM 786 C VAL A 53 1.004 -4.961 2.462 1.00 0.00 C ATOM 787 O VAL A 53 1.359 -6.104 2.747 1.00 0.00 O ATOM 788 CB VAL A 53 0.373 -3.342 4.254 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.965 -3.261 3.534 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.298 -4.306 5.428 1.00 0.00 C ATOM 0 H VAL A 53 1.621 -1.740 2.758 1.00 0.00 H new ATOM 0 HA VAL A 53 2.369 -4.055 3.849 1.00 0.00 H new ATOM 0 HB VAL A 53 0.611 -2.351 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.740 -2.959 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.901 -2.529 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.214 -4.237 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.494 -3.991 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.083 -5.310 5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.251 -4.309 5.957 1.00 0.00 H new ATOM 800 N ASP A 54 0.194 -4.687 1.446 1.00 0.00 N ATOM 801 CA ASP A 54 -0.336 -5.738 0.586 1.00 0.00 C ATOM 802 C ASP A 54 0.793 -6.569 -0.016 1.00 0.00 C ATOM 803 O ASP A 54 0.712 -7.796 -0.075 1.00 0.00 O ATOM 804 CB ASP A 54 -1.190 -5.133 -0.529 1.00 0.00 C ATOM 805 CG ASP A 54 -2.648 -4.999 -0.134 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.922 -4.823 1.071 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.515 -5.073 -1.030 1.00 0.00 O ATOM 0 H ASP A 54 -0.110 -3.746 1.198 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.959 -6.392 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.796 -4.151 -0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.114 -5.756 -1.420 1.00 0.00 H new ATOM 812 N LYS A 55 1.845 -5.892 -0.464 1.00 0.00 N ATOM 813 CA LYS A 55 2.992 -6.566 -1.061 1.00 0.00 C ATOM 814 C LYS A 55 3.800 -7.307 -0.001 1.00 0.00 C ATOM 815 O LYS A 55 4.278 -8.418 -0.236 1.00 0.00 O ATOM 816 CB LYS A 55 3.884 -5.555 -1.784 1.00 0.00 C ATOM 817 CG LYS A 55 4.893 -6.195 -2.722 1.00 0.00 C ATOM 818 CD LYS A 55 5.899 -5.179 -3.236 1.00 0.00 C ATOM 819 CE LYS A 55 7.010 -4.935 -2.226 1.00 0.00 C ATOM 820 NZ LYS A 55 8.188 -4.268 -2.847 1.00 0.00 N ATOM 0 H LYS A 55 1.927 -4.876 -0.425 1.00 0.00 H new ATOM 0 HA LYS A 55 2.620 -7.293 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.255 -4.870 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.417 -4.958 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.417 -6.996 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.371 -6.650 -3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.329 -5.533 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.391 -4.240 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.631 -4.318 -1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.319 -5.885 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.923 -4.119 -2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.566 -4.868 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.899 -3.350 -3.241 1.00 0.00 H new ATOM 834 N TRP A 56 3.948 -6.687 1.164 1.00 0.00 N ATOM 835 CA TRP A 56 4.698 -7.290 2.260 1.00 0.00 C ATOM 836 C TRP A 56 4.016 -8.562 2.752 1.00 0.00 C ATOM 837 O TRP A 56 4.677 -9.557 3.050 1.00 0.00 O ATOM 838 CB TRP A 56 4.843 -6.296 3.413 1.00 0.00 C ATOM 839 CG TRP A 56 5.486 -6.888 4.631 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.850 -7.414 5.719 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.889 -7.013 4.885 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.774 -7.858 6.634 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.032 -7.624 6.146 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.039 -6.669 4.169 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.278 -7.897 6.704 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.275 -6.940 4.724 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.387 -7.550 5.981 1.00 0.00 C ATOM 0 H TRP A 56 3.559 -5.768 1.374 1.00 0.00 H new ATOM 0 HA TRP A 56 5.689 -7.552 1.888 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.434 -5.444 3.077 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.858 -5.914 3.680 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.779 -7.472 5.842 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.558 -8.292 7.532 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.963 -6.200 3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.366 -8.366 7.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.170 -6.677 4.180 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.368 -7.750 6.387 1.00 0.00 H new ATOM 858 N LEU A 57 2.691 -8.523 2.835 1.00 0.00 N ATOM 859 CA LEU A 57 1.918 -9.673 3.291 1.00 0.00 C ATOM 860 C LEU A 57 2.046 -10.837 2.313 1.00 0.00 C ATOM 861 O LEU A 57 1.934 -12.001 2.698 1.00 0.00 O ATOM 862 CB LEU A 57 0.446 -9.291 3.457 1.00 0.00 C ATOM 863 CG LEU A 57 0.139 -8.263 4.545 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.287 -7.752 4.410 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.364 -8.863 5.925 1.00 0.00 C ATOM 0 H LEU A 57 2.129 -7.707 2.592 1.00 0.00 H new ATOM 0 HA LEU A 57 2.316 -9.987 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.082 -8.903 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.122 -10.197 3.670 1.00 0.00 H new ATOM 0 HG LEU A 57 0.818 -7.419 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.487 -7.021 5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.415 -7.283 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.983 -8.586 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.140 -8.117 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.290 -9.725 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.403 -9.178 6.020 1.00 0.00 H new ATOM 877 N LYS A 58 2.284 -10.515 1.046 1.00 0.00 N ATOM 878 CA LYS A 58 2.431 -11.533 0.012 1.00 0.00 C ATOM 879 C LYS A 58 3.684 -12.370 0.247 1.00 0.00 C ATOM 880 O LYS A 58 3.649 -13.596 0.150 1.00 0.00 O ATOM 881 CB LYS A 58 2.494 -10.879 -1.371 1.00 0.00 C ATOM 882 CG LYS A 58 1.140 -10.757 -2.048 1.00 0.00 C ATOM 883 CD LYS A 58 1.106 -9.588 -3.019 1.00 0.00 C ATOM 884 CE LYS A 58 -0.286 -9.385 -3.597 1.00 0.00 C ATOM 885 NZ LYS A 58 -0.563 -10.326 -4.718 1.00 0.00 N ATOM 0 H LYS A 58 2.379 -9.557 0.710 1.00 0.00 H new ATOM 0 HA LYS A 58 1.562 -12.190 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.933 -9.886 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.159 -11.461 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.914 -11.681 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.365 -10.627 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.425 -8.680 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.815 -9.765 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.029 -9.526 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.386 -8.359 -3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.521 -10.156 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.131 -10.175 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.492 -11.305 -4.375 1.00 0.00 H new ATOM 899 N ALA A 59 4.789 -11.700 0.559 1.00 0.00 N ATOM 900 CA ALA A 59 6.051 -12.383 0.812 1.00 0.00 C ATOM 901 C ALA A 59 6.113 -12.911 2.241 1.00 0.00 C ATOM 902 O ALA A 59 6.478 -14.063 2.472 1.00 0.00 O ATOM 903 CB ALA A 59 7.221 -11.448 0.541 1.00 0.00 C ATOM 0 H ALA A 59 4.835 -10.684 0.642 1.00 0.00 H new ATOM 0 HA ALA A 59 6.117 -13.235 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.157 -11.971 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.194 -11.124 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.150 -10.578 1.194 1.00 0.00 H new ATOM 909 N ASN A 60 5.753 -12.061 3.197 1.00 0.00 N ATOM 910 CA ASN A 60 5.769 -12.442 4.605 1.00 0.00 C ATOM 911 C ASN A 60 4.442 -12.102 5.276 1.00 0.00 C ATOM 912 O ASN A 60 4.027 -10.944 5.301 1.00 0.00 O ATOM 913 CB ASN A 60 6.917 -11.739 5.332 1.00 0.00 C ATOM 914 CG ASN A 60 8.277 -12.249 4.897 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.750 -13.278 5.380 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.913 -11.529 3.980 1.00 0.00 N ATOM 0 H ASN A 60 5.447 -11.104 3.023 1.00 0.00 H new ATOM 0 HA ASN A 60 5.918 -13.520 4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.858 -10.667 5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.805 -11.883 6.407 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.832 -11.822 3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.483 -10.683 3.607 1.00 0.00 H new ATOM 923 N ARG A 61 3.782 -13.120 5.818 1.00 0.00 N ATOM 924 CA ARG A 61 2.501 -12.929 6.489 1.00 0.00 C ATOM 925 C ARG A 61 2.704 -12.411 7.910 1.00 0.00 C ATOM 926 O ARG A 61 2.138 -12.946 8.864 1.00 0.00 O ATOM 927 CB ARG A 61 1.717 -14.242 6.520 1.00 0.00 C ATOM 928 CG ARG A 61 2.281 -15.266 7.491 1.00 0.00 C ATOM 929 CD ARG A 61 1.973 -16.686 7.045 1.00 0.00 C ATOM 930 NE ARG A 61 2.772 -17.673 7.767 1.00 0.00 N ATOM 931 CZ ARG A 61 4.034 -17.961 7.465 1.00 0.00 C ATOM 932 NH1 ARG A 61 4.636 -17.340 6.460 1.00 0.00 N ATOM 933 NH2 ARG A 61 4.695 -18.870 8.169 1.00 0.00 N ATOM 0 H ARG A 61 4.112 -14.085 5.806 1.00 0.00 H new ATOM 0 HA ARG A 61 1.932 -12.187 5.928 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.682 -14.031 6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.705 -14.672 5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.360 -15.135 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.863 -15.097 8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.914 -16.893 7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.162 -16.779 5.976 1.00 0.00 H new ATOM 0 HE ARG A 61 2.338 -18.168 8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.131 -16.640 5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.604 -17.562 6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.235 -19.349 8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.663 -19.090 7.936 1.00 0.00 H new ATOM 947 N THR A 62 3.516 -11.367 8.044 1.00 0.00 N ATOM 948 CA THR A 62 3.795 -10.779 9.348 1.00 0.00 C ATOM 949 C THR A 62 3.978 -9.269 9.242 1.00 0.00 C ATOM 950 O THR A 62 3.927 -8.702 8.149 1.00 0.00 O ATOM 951 CB THR A 62 5.056 -11.394 9.984 1.00 0.00 C ATOM 952 OG1 THR A 62 6.151 -11.329 9.063 1.00 0.00 O ATOM 953 CG2 THR A 62 4.809 -12.840 10.385 1.00 0.00 C ATOM 0 H THR A 62 3.992 -10.911 7.265 1.00 0.00 H new ATOM 0 HA THR A 62 2.935 -10.995 9.982 1.00 0.00 H new ATOM 0 HB THR A 62 5.301 -10.822 10.879 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.949 -11.720 9.476 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.713 -13.253 10.832 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.995 -12.883 11.108 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.542 -13.422 9.503 1.00 0.00 H new ATOM 961 N CYS A 63 4.192 -8.622 10.382 1.00 0.00 N ATOM 962 CA CYS A 63 4.383 -7.177 10.418 1.00 0.00 C ATOM 963 C CYS A 63 5.856 -6.819 10.244 1.00 0.00 C ATOM 964 O CYS A 63 6.727 -7.299 10.969 1.00 0.00 O ATOM 965 CB CYS A 63 3.860 -6.605 11.737 1.00 0.00 C ATOM 966 SG CYS A 63 4.159 -4.820 11.944 1.00 0.00 S ATOM 0 H CYS A 63 4.238 -9.076 11.294 1.00 0.00 H new ATOM 0 HA CYS A 63 3.821 -6.740 9.592 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.788 -6.793 11.803 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.329 -7.139 12.564 1.00 0.00 H new ATOM 0 HG CYS A 63 4.724 -4.348 10.873 1.00 0.00 H new ATOM 971 N PRO A 64 6.142 -5.954 9.260 1.00 0.00 N ATOM 972 CA PRO A 64 7.509 -5.511 8.968 1.00 0.00 C ATOM 973 C PRO A 64 8.071 -4.606 10.059 1.00 0.00 C ATOM 974 O PRO A 64 9.133 -4.006 9.895 1.00 0.00 O ATOM 975 CB PRO A 64 7.358 -4.736 7.656 1.00 0.00 C ATOM 976 CG PRO A 64 5.942 -4.272 7.651 1.00 0.00 C ATOM 977 CD PRO A 64 5.154 -5.341 8.357 1.00 0.00 C ATOM 0 HA PRO A 64 8.204 -6.348 8.907 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.050 -3.895 7.611 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.570 -5.370 6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.844 -3.314 8.161 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.581 -4.130 6.632 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.312 -4.922 8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.745 -6.068 7.655 1.00 0.00 H new ATOM 985 N ILE A 65 7.351 -4.513 11.173 1.00 0.00 N ATOM 986 CA ILE A 65 7.780 -3.682 12.291 1.00 0.00 C ATOM 987 C ILE A 65 8.032 -4.525 13.537 1.00 0.00 C ATOM 988 O ILE A 65 9.167 -4.646 13.999 1.00 0.00 O ATOM 989 CB ILE A 65 6.736 -2.599 12.620 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.426 -1.764 11.376 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.233 -1.711 13.751 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.460 -0.629 11.636 1.00 0.00 C ATOM 0 H ILE A 65 6.469 -5.002 11.325 1.00 0.00 H new ATOM 0 HA ILE A 65 8.709 -3.199 11.988 1.00 0.00 H new ATOM 0 HB ILE A 65 5.817 -3.087 12.945 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.356 -1.356 10.981 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.011 -2.414 10.606 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.484 -0.950 13.972 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.408 -2.317 14.640 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.164 -1.228 13.452 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.286 -0.080 10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.516 -1.032 12.002 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.881 0.044 12.383 1.00 0.00 H new ATOM 1004 N CYS A 66 6.966 -5.108 14.075 1.00 0.00 N ATOM 1005 CA CYS A 66 7.070 -5.942 15.267 1.00 0.00 C ATOM 1006 C CYS A 66 6.977 -7.422 14.905 1.00 0.00 C ATOM 1007 O CYS A 66 6.633 -8.255 15.743 1.00 0.00 O ATOM 1008 CB CYS A 66 5.970 -5.579 16.266 1.00 0.00 C ATOM 1009 SG CYS A 66 4.280 -5.866 15.648 1.00 0.00 S ATOM 0 H CYS A 66 6.020 -5.018 13.704 1.00 0.00 H new ATOM 0 HA CYS A 66 8.042 -5.759 15.725 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.116 -6.159 17.177 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.073 -4.528 16.537 1.00 0.00 H new ATOM 0 HG CYS A 66 4.205 -5.499 14.403 1.00 0.00 H new ATOM 1014 N ARG A 67 7.286 -7.740 13.652 1.00 0.00 N ATOM 1015 CA ARG A 67 7.236 -9.118 13.180 1.00 0.00 C ATOM 1016 C ARG A 67 6.043 -9.856 13.780 1.00 0.00 C ATOM 1017 O ARG A 67 6.065 -11.078 13.922 1.00 0.00 O ATOM 1018 CB ARG A 67 8.533 -9.848 13.534 1.00 0.00 C ATOM 1019 CG ARG A 67 9.713 -9.452 12.662 1.00 0.00 C ATOM 1020 CD ARG A 67 11.020 -10.005 13.208 1.00 0.00 C ATOM 1021 NE ARG A 67 11.320 -11.330 12.672 1.00 0.00 N ATOM 1022 CZ ARG A 67 12.098 -12.213 13.288 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.650 -11.914 14.456 1.00 0.00 N ATOM 1024 NH2 ARG A 67 12.324 -13.398 12.736 1.00 0.00 N ATOM 0 H ARG A 67 7.573 -7.062 12.946 1.00 0.00 H new ATOM 0 HA ARG A 67 7.122 -9.100 12.096 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.779 -9.648 14.577 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.371 -10.922 13.445 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.557 -9.820 11.648 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.774 -8.365 12.602 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.833 -9.322 12.963 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.965 -10.058 14.295 1.00 0.00 H new ATOM 0 HE ARG A 67 10.910 -11.592 11.776 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.478 -11.004 14.884 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.247 -12.594 14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.900 -13.631 11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.922 -14.076 13.210 1.00 0.00 H new ATOM 1038 N ALA A 68 5.005 -9.105 14.132 1.00 0.00 N ATOM 1039 CA ALA A 68 3.804 -9.688 14.716 1.00 0.00 C ATOM 1040 C ALA A 68 2.913 -10.302 13.642 1.00 0.00 C ATOM 1041 O ALA A 68 2.399 -9.599 12.771 1.00 0.00 O ATOM 1042 CB ALA A 68 3.035 -8.636 15.503 1.00 0.00 C ATOM 0 H ALA A 68 4.972 -8.091 14.023 1.00 0.00 H new ATOM 0 HA ALA A 68 4.111 -10.483 15.396 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.140 -9.086 15.934 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.666 -8.246 16.302 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.748 -7.822 14.838 1.00 0.00 H new ATOM 1048 N ASP A 69 2.736 -11.617 13.708 1.00 0.00 N ATOM 1049 CA ASP A 69 1.908 -12.327 12.740 1.00 0.00 C ATOM 1050 C ASP A 69 0.610 -11.569 12.477 1.00 0.00 C ATOM 1051 O ASP A 69 -0.122 -11.229 13.406 1.00 0.00 O ATOM 1052 CB ASP A 69 1.596 -13.738 13.241 1.00 0.00 C ATOM 1053 CG ASP A 69 1.290 -14.699 12.109 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.895 -14.229 11.022 1.00 0.00 O ATOM 1055 OD2 ASP A 69 1.444 -15.922 12.311 1.00 0.00 O ATOM 0 H ASP A 69 3.155 -12.213 14.422 1.00 0.00 H new ATOM 0 HA ASP A 69 2.464 -12.397 11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.444 -14.113 13.813 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.745 -13.699 13.921 1.00 0.00 H new ATOM 1060 N SER A 70 0.332 -11.306 11.204 1.00 0.00 N ATOM 1061 CA SER A 70 -0.875 -10.584 10.818 1.00 0.00 C ATOM 1062 C SER A 70 -2.059 -11.537 10.685 1.00 0.00 C ATOM 1063 O SER A 70 -2.830 -11.458 9.729 1.00 0.00 O ATOM 1064 CB SER A 70 -0.651 -9.843 9.498 1.00 0.00 C ATOM 1065 OG SER A 70 -1.778 -9.053 9.160 1.00 0.00 O ATOM 0 H SER A 70 0.926 -11.582 10.422 1.00 0.00 H new ATOM 0 HA SER A 70 -1.101 -9.859 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.231 -9.208 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.455 -10.562 8.702 1.00 0.00 H new ATOM 0 HG SER A 70 -2.592 -9.592 9.244 1.00 0.00 H new