USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 439 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 56 SER OG : rot 180:sc= 0.00128 USER MOD Set 1.2: A 59 THR OG1 : rot -45:sc= -0.603 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -128:sc= 0.224 USER MOD Single : A 28 SER OG : rot 180:sc= -1.43! USER MOD Single : A 32 SER OG : rot 34:sc= 0.125 USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -1.27 (180deg=-2.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -152:sc= -1.8! (180deg=-3.59!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot -173:sc= -0.572 USER MOD ----------------------------------------------------------------- ATOM 205 N ASP A 18 -1.495 -10.522 -2.104 1.00 0.00 N ATOM 206 CA ASP A 18 -2.005 -9.934 -0.871 1.00 0.00 C ATOM 207 C ASP A 18 -2.174 -8.425 -1.019 1.00 0.00 C ATOM 208 O ASP A 18 -1.268 -7.730 -1.479 1.00 0.00 O ATOM 209 CB ASP A 18 -1.063 -10.242 0.294 1.00 0.00 C ATOM 210 CG ASP A 18 -1.352 -11.586 0.932 1.00 0.00 C ATOM 211 OD1 ASP A 18 -1.471 -12.583 0.188 1.00 0.00 O ATOM 212 OD2 ASP A 18 -1.458 -11.642 2.174 1.00 0.00 O ATOM 0 HA ASP A 18 -2.981 -10.373 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.033 -10.226 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.153 -9.459 1.047 1.00 0.00 H new ATOM 217 N PHE A 19 -3.341 -7.924 -0.627 1.00 0.00 N ATOM 218 CA PHE A 19 -3.630 -6.498 -0.718 1.00 0.00 C ATOM 219 C PHE A 19 -3.491 -5.827 0.645 1.00 0.00 C ATOM 220 O PHE A 19 -3.704 -6.454 1.684 1.00 0.00 O ATOM 221 CB PHE A 19 -5.041 -6.276 -1.266 1.00 0.00 C ATOM 222 CG PHE A 19 -5.290 -6.964 -2.578 1.00 0.00 C ATOM 223 CD1 PHE A 19 -4.673 -6.519 -3.736 1.00 0.00 C ATOM 224 CD2 PHE A 19 -6.141 -8.055 -2.653 1.00 0.00 C ATOM 225 CE1 PHE A 19 -4.899 -7.150 -4.945 1.00 0.00 C ATOM 226 CE2 PHE A 19 -6.371 -8.690 -3.859 1.00 0.00 C ATOM 227 CZ PHE A 19 -5.750 -8.236 -5.006 1.00 0.00 C ATOM 0 H PHE A 19 -4.102 -8.485 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.908 -6.049 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.766 -6.632 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.211 -5.206 -1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.008 -5.669 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.630 -8.413 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.411 -6.794 -5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.036 -9.540 -3.904 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.930 -8.730 -5.950 1.00 0.00 H new ATOM 237 N LEU A 20 -3.131 -4.548 0.635 1.00 0.00 N ATOM 238 CA LEU A 20 -2.962 -3.790 1.870 1.00 0.00 C ATOM 239 C LEU A 20 -3.663 -2.439 1.780 1.00 0.00 C ATOM 240 O LEU A 20 -3.242 -1.558 1.030 1.00 0.00 O ATOM 241 CB LEU A 20 -1.475 -3.587 2.167 1.00 0.00 C ATOM 242 CG LEU A 20 -0.578 -4.810 1.970 1.00 0.00 C ATOM 243 CD1 LEU A 20 0.882 -4.393 1.890 1.00 0.00 C ATOM 244 CD2 LEU A 20 -0.787 -5.812 3.095 1.00 0.00 C ATOM 0 H LEU A 20 -2.950 -4.014 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.414 -4.360 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.104 -2.783 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.374 -3.249 3.198 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.850 -5.289 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.505 -5.276 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.021 -3.714 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.168 -3.890 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.141 -6.675 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.543 -5.344 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.828 -6.135 3.106 1.00 0.00 H new ATOM 256 N ALA A 21 -4.735 -2.282 2.550 1.00 0.00 N ATOM 257 CA ALA A 21 -5.492 -1.037 2.561 1.00 0.00 C ATOM 258 C ALA A 21 -4.816 0.010 3.440 1.00 0.00 C ATOM 259 O ALA A 21 -4.524 -0.242 4.609 1.00 0.00 O ATOM 260 CB ALA A 21 -6.915 -1.289 3.036 1.00 0.00 C ATOM 0 H ALA A 21 -5.098 -3.002 3.174 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.524 -0.651 1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.469 -0.350 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.403 -1.996 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.894 -1.702 4.045 1.00 0.00 H new ATOM 266 N VAL A 22 -4.568 1.185 2.870 1.00 0.00 N ATOM 267 CA VAL A 22 -3.927 2.270 3.602 1.00 0.00 C ATOM 268 C VAL A 22 -4.789 2.729 4.772 1.00 0.00 C ATOM 269 O VAL A 22 -5.700 3.541 4.605 1.00 0.00 O ATOM 270 CB VAL A 22 -3.641 3.474 2.685 1.00 0.00 C ATOM 271 CG1 VAL A 22 -2.999 4.605 3.473 1.00 0.00 C ATOM 272 CG2 VAL A 22 -2.759 3.058 1.518 1.00 0.00 C ATOM 0 H VAL A 22 -4.802 1.409 1.903 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.983 1.880 3.982 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.588 3.835 2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.804 5.447 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.672 4.920 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.060 4.260 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.567 3.921 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.814 2.670 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.263 2.284 0.939 1.00 0.00 H new ATOM 282 N LEU A 23 -4.497 2.204 5.957 1.00 0.00 N ATOM 283 CA LEU A 23 -5.246 2.560 7.157 1.00 0.00 C ATOM 284 C LEU A 23 -5.166 4.060 7.424 1.00 0.00 C ATOM 285 O LEU A 23 -6.079 4.647 8.004 1.00 0.00 O ATOM 286 CB LEU A 23 -4.711 1.787 8.364 1.00 0.00 C ATOM 287 CG LEU A 23 -4.728 0.262 8.245 1.00 0.00 C ATOM 288 CD1 LEU A 23 -3.606 -0.350 9.070 1.00 0.00 C ATOM 289 CD2 LEU A 23 -6.076 -0.292 8.681 1.00 0.00 C ATOM 0 H LEU A 23 -3.747 1.530 6.112 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.290 2.293 6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.685 2.106 8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.295 2.070 9.240 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.570 -0.004 7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.634 -1.435 8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.646 0.022 8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.733 -0.076 10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.070 -1.378 8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.264 -0.016 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.861 0.121 8.048 1.00 0.00 H new ATOM 301 N SER A 24 -4.068 4.674 6.995 1.00 0.00 N ATOM 302 CA SER A 24 -3.868 6.106 7.189 1.00 0.00 C ATOM 303 C SER A 24 -2.801 6.639 6.237 1.00 0.00 C ATOM 304 O SER A 24 -1.681 6.131 6.196 1.00 0.00 O ATOM 305 CB SER A 24 -3.466 6.394 8.637 1.00 0.00 C ATOM 306 OG SER A 24 -3.747 7.739 8.985 1.00 0.00 O ATOM 0 H SER A 24 -3.304 4.203 6.511 1.00 0.00 H new ATOM 0 HA SER A 24 -4.809 6.612 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.002 5.722 9.307 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.402 6.195 8.769 1.00 0.00 H new ATOM 0 HG SER A 24 -3.483 7.898 9.915 1.00 0.00 H new ATOM 312 N ASP A 25 -3.159 7.666 5.475 1.00 0.00 N ATOM 313 CA ASP A 25 -2.233 8.270 4.523 1.00 0.00 C ATOM 314 C ASP A 25 -0.823 8.335 5.103 1.00 0.00 C ATOM 315 O ASP A 25 -0.643 8.567 6.299 1.00 0.00 O ATOM 316 CB ASP A 25 -2.706 9.674 4.141 1.00 0.00 C ATOM 317 CG ASP A 25 -2.197 10.736 5.095 1.00 0.00 C ATOM 318 OD1 ASP A 25 -2.591 10.706 6.280 1.00 0.00 O ATOM 319 OD2 ASP A 25 -1.406 11.598 4.658 1.00 0.00 O ATOM 0 H ASP A 25 -4.083 8.098 5.497 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.210 7.646 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.369 9.906 3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.796 9.696 4.126 1.00 0.00 H new ATOM 324 N TYR A 26 0.172 8.128 4.248 1.00 0.00 N ATOM 325 CA TYR A 26 1.566 8.159 4.676 1.00 0.00 C ATOM 326 C TYR A 26 2.496 8.379 3.487 1.00 0.00 C ATOM 327 O TYR A 26 2.203 7.989 2.356 1.00 0.00 O ATOM 328 CB TYR A 26 1.931 6.856 5.389 1.00 0.00 C ATOM 329 CG TYR A 26 3.377 6.452 5.208 1.00 0.00 C ATOM 330 CD1 TYR A 26 3.872 6.111 3.955 1.00 0.00 C ATOM 331 CD2 TYR A 26 4.248 6.410 6.290 1.00 0.00 C ATOM 332 CE1 TYR A 26 5.192 5.741 3.785 1.00 0.00 C ATOM 333 CE2 TYR A 26 5.570 6.042 6.129 1.00 0.00 C ATOM 334 CZ TYR A 26 6.037 5.708 4.875 1.00 0.00 C ATOM 335 OH TYR A 26 7.352 5.340 4.711 1.00 0.00 O ATOM 0 H TYR A 26 0.040 7.937 3.255 1.00 0.00 H new ATOM 0 HA TYR A 26 1.689 8.991 5.369 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.723 6.963 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.290 6.056 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.213 6.136 3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.885 6.669 7.274 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.560 5.479 2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.234 6.016 6.980 1.00 0.00 H new ATOM 0 HH TYR A 26 7.575 4.629 5.348 1.00 0.00 H new ATOM 345 N PRO A 27 3.645 9.020 3.747 1.00 0.00 N ATOM 346 CA PRO A 27 4.003 9.490 5.088 1.00 0.00 C ATOM 347 C PRO A 27 3.135 10.658 5.545 1.00 0.00 C ATOM 348 O PRO A 27 2.358 11.207 4.765 1.00 0.00 O ATOM 349 CB PRO A 27 5.459 9.936 4.930 1.00 0.00 C ATOM 350 CG PRO A 27 5.597 10.276 3.487 1.00 0.00 C ATOM 351 CD PRO A 27 4.683 9.336 2.751 1.00 0.00 C ATOM 0 HA PRO A 27 3.858 8.717 5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.680 10.796 5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.149 9.143 5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.320 11.314 3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.628 10.157 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.258 9.802 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.209 8.440 2.421 1.00 0.00 H new ATOM 359 N SER A 28 3.273 11.032 6.813 1.00 0.00 N ATOM 360 CA SER A 28 2.499 12.132 7.374 1.00 0.00 C ATOM 361 C SER A 28 2.627 13.383 6.509 1.00 0.00 C ATOM 362 O SER A 28 3.654 13.628 5.876 1.00 0.00 O ATOM 363 CB SER A 28 2.962 12.435 8.800 1.00 0.00 C ATOM 364 OG SER A 28 1.867 12.784 9.629 1.00 0.00 O ATOM 0 H SER A 28 3.914 10.589 7.471 1.00 0.00 H new ATOM 0 HA SER A 28 1.451 11.832 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.472 11.564 9.213 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.685 13.250 8.785 1.00 0.00 H new ATOM 0 HG SER A 28 2.189 12.971 10.535 1.00 0.00 H new ATOM 370 N PRO A 29 1.559 14.194 6.481 1.00 0.00 N ATOM 371 CA PRO A 29 1.526 15.433 5.699 1.00 0.00 C ATOM 372 C PRO A 29 2.447 16.505 6.272 1.00 0.00 C ATOM 373 O PRO A 29 2.469 17.639 5.793 1.00 0.00 O ATOM 374 CB PRO A 29 0.064 15.876 5.797 1.00 0.00 C ATOM 375 CG PRO A 29 -0.431 15.268 7.064 1.00 0.00 C ATOM 376 CD PRO A 29 0.301 13.963 7.212 1.00 0.00 C ATOM 0 HA PRO A 29 1.871 15.279 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.020 16.963 5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.513 15.530 4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.236 15.923 7.913 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.509 15.109 7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.483 13.721 8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.265 13.134 6.787 1.00 0.00 H new ATOM 384 N ASP A 30 3.207 16.138 7.298 1.00 0.00 N ATOM 385 CA ASP A 30 4.132 17.068 7.935 1.00 0.00 C ATOM 386 C ASP A 30 5.578 16.702 7.614 1.00 0.00 C ATOM 387 O ASP A 30 6.475 17.541 7.702 1.00 0.00 O ATOM 388 CB ASP A 30 3.919 17.075 9.449 1.00 0.00 C ATOM 389 CG ASP A 30 2.769 17.970 9.868 1.00 0.00 C ATOM 390 OD1 ASP A 30 1.603 17.544 9.728 1.00 0.00 O ATOM 391 OD2 ASP A 30 3.035 19.097 10.337 1.00 0.00 O ATOM 0 H ASP A 30 3.201 15.203 7.706 1.00 0.00 H new ATOM 0 HA ASP A 30 3.933 18.065 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.727 16.058 9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.833 17.409 9.940 1.00 0.00 H new ATOM 396 N ILE A 31 5.796 15.446 7.242 1.00 0.00 N ATOM 397 CA ILE A 31 7.133 14.969 6.908 1.00 0.00 C ATOM 398 C ILE A 31 7.325 14.887 5.398 1.00 0.00 C ATOM 399 O ILE A 31 8.276 15.446 4.852 1.00 0.00 O ATOM 400 CB ILE A 31 7.408 13.586 7.526 1.00 0.00 C ATOM 401 CG1 ILE A 31 6.716 13.463 8.885 1.00 0.00 C ATOM 402 CG2 ILE A 31 8.905 13.356 7.665 1.00 0.00 C ATOM 403 CD1 ILE A 31 7.163 12.259 9.684 1.00 0.00 C ATOM 0 H ILE A 31 5.064 14.740 7.164 1.00 0.00 H new ATOM 0 HA ILE A 31 7.838 15.689 7.323 1.00 0.00 H new ATOM 0 HB ILE A 31 7.003 12.822 6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.909 14.366 9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.638 13.407 8.731 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.083 12.374 8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.373 13.405 6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.333 14.124 8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.631 12.236 10.635 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.945 11.349 9.124 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.235 12.323 9.869 1.00 0.00 H new ATOM 415 N SER A 32 6.415 14.187 4.728 1.00 0.00 N ATOM 416 CA SER A 32 6.486 14.030 3.280 1.00 0.00 C ATOM 417 C SER A 32 5.098 13.793 2.691 1.00 0.00 C ATOM 418 O SER A 32 4.143 13.470 3.397 1.00 0.00 O ATOM 419 CB SER A 32 7.411 12.867 2.917 1.00 0.00 C ATOM 420 OG SER A 32 8.728 13.324 2.659 1.00 0.00 O ATOM 0 H SER A 32 5.620 13.720 5.165 1.00 0.00 H new ATOM 0 HA SER A 32 6.889 14.951 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.427 12.143 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.023 12.350 2.039 1.00 0.00 H new ATOM 0 HG SER A 32 8.928 14.090 3.237 1.00 0.00 H new ATOM 426 N PRO A 33 4.983 13.958 1.365 1.00 0.00 N ATOM 427 CA PRO A 33 3.718 13.767 0.650 1.00 0.00 C ATOM 428 C PRO A 33 3.293 12.304 0.604 1.00 0.00 C ATOM 429 O PRO A 33 4.080 11.414 0.280 1.00 0.00 O ATOM 430 CB PRO A 33 4.026 14.280 -0.759 1.00 0.00 C ATOM 431 CG PRO A 33 5.499 14.118 -0.907 1.00 0.00 C ATOM 432 CD PRO A 33 6.080 14.343 0.461 1.00 0.00 C ATOM 0 HA PRO A 33 2.892 14.287 1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.487 13.709 -1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.729 15.322 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.747 13.123 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.900 14.834 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.969 13.734 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.375 15.382 0.607 1.00 0.00 H new ATOM 440 N PRO A 34 2.019 12.046 0.934 1.00 0.00 N ATOM 441 CA PRO A 34 1.461 10.690 0.936 1.00 0.00 C ATOM 442 C PRO A 34 1.314 10.121 -0.471 1.00 0.00 C ATOM 443 O PRO A 34 0.670 10.724 -1.330 1.00 0.00 O ATOM 444 CB PRO A 34 0.086 10.874 1.585 1.00 0.00 C ATOM 445 CG PRO A 34 -0.271 12.295 1.319 1.00 0.00 C ATOM 446 CD PRO A 34 1.025 13.057 1.330 1.00 0.00 C ATOM 0 HA PRO A 34 2.105 9.985 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.649 10.194 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.122 10.669 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.776 12.397 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.953 12.675 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.004 13.895 0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.241 13.468 2.316 1.00 0.00 H new ATOM 454 N ILE A 35 1.915 8.958 -0.699 1.00 0.00 N ATOM 455 CA ILE A 35 1.849 8.308 -2.002 1.00 0.00 C ATOM 456 C ILE A 35 0.636 7.389 -2.098 1.00 0.00 C ATOM 457 O ILE A 35 0.133 7.119 -3.188 1.00 0.00 O ATOM 458 CB ILE A 35 3.123 7.490 -2.288 1.00 0.00 C ATOM 459 CG1 ILE A 35 4.356 8.224 -1.758 1.00 0.00 C ATOM 460 CG2 ILE A 35 3.258 7.225 -3.780 1.00 0.00 C ATOM 461 CD1 ILE A 35 4.755 7.804 -0.361 1.00 0.00 C ATOM 0 H ILE A 35 2.453 8.447 0.001 1.00 0.00 H new ATOM 0 HA ILE A 35 1.761 9.100 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 35 3.045 6.532 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.192 8.048 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.161 9.296 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.163 6.646 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.391 6.665 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.318 8.173 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.636 8.365 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.935 8.006 0.328 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.982 6.738 -0.352 1.00 0.00 H new ATOM 473 N PHE A 36 0.170 6.913 -0.948 1.00 0.00 N ATOM 474 CA PHE A 36 -0.986 6.025 -0.901 1.00 0.00 C ATOM 475 C PHE A 36 -2.036 6.550 0.074 1.00 0.00 C ATOM 476 O PHE A 36 -2.021 6.214 1.259 1.00 0.00 O ATOM 477 CB PHE A 36 -0.555 4.614 -0.494 1.00 0.00 C ATOM 478 CG PHE A 36 0.577 4.072 -1.318 1.00 0.00 C ATOM 479 CD1 PHE A 36 0.650 4.334 -2.677 1.00 0.00 C ATOM 480 CD2 PHE A 36 1.569 3.301 -0.734 1.00 0.00 C ATOM 481 CE1 PHE A 36 1.691 3.835 -3.437 1.00 0.00 C ATOM 482 CE2 PHE A 36 2.612 2.800 -1.490 1.00 0.00 C ATOM 483 CZ PHE A 36 2.674 3.068 -2.843 1.00 0.00 C ATOM 0 H PHE A 36 0.575 7.127 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.427 5.990 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.259 4.622 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.410 3.943 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.115 4.934 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.527 3.089 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.736 4.045 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.378 2.199 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.489 2.679 -3.435 1.00 0.00 H new ATOM 493 N ARG A 37 -2.945 7.375 -0.433 1.00 0.00 N ATOM 494 CA ARG A 37 -4.002 7.948 0.392 1.00 0.00 C ATOM 495 C ARG A 37 -4.728 6.861 1.178 1.00 0.00 C ATOM 496 O ARG A 37 -4.670 5.682 0.826 1.00 0.00 O ATOM 497 CB ARG A 37 -4.999 8.715 -0.478 1.00 0.00 C ATOM 498 CG ARG A 37 -4.531 10.111 -0.855 1.00 0.00 C ATOM 499 CD ARG A 37 -4.589 11.058 0.334 1.00 0.00 C ATOM 500 NE ARG A 37 -5.905 11.673 0.480 1.00 0.00 N ATOM 501 CZ ARG A 37 -6.358 12.637 -0.314 1.00 0.00 C ATOM 502 NH1 ARG A 37 -5.605 13.093 -1.305 1.00 0.00 N ATOM 503 NH2 ARG A 37 -7.568 13.146 -0.118 1.00 0.00 N ATOM 0 H ARG A 37 -2.971 7.662 -1.411 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.542 8.638 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.187 8.146 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.948 8.790 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.510 10.064 -1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.153 10.499 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.341 10.512 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.836 11.837 0.214 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.510 11.345 1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.675 12.704 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.956 13.833 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.151 12.797 0.643 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.915 13.886 -0.728 1.00 0.00 H new ATOM 517 N ARG A 38 -5.411 7.264 2.245 1.00 0.00 N ATOM 518 CA ARG A 38 -6.147 6.324 3.082 1.00 0.00 C ATOM 519 C ARG A 38 -7.241 5.625 2.281 1.00 0.00 C ATOM 520 O ARG A 38 -7.825 6.207 1.368 1.00 0.00 O ATOM 521 CB ARG A 38 -6.761 7.048 4.281 1.00 0.00 C ATOM 522 CG ARG A 38 -7.263 6.111 5.367 1.00 0.00 C ATOM 523 CD ARG A 38 -8.441 6.710 6.119 1.00 0.00 C ATOM 524 NE ARG A 38 -8.613 6.107 7.437 1.00 0.00 N ATOM 525 CZ ARG A 38 -7.920 6.473 8.509 1.00 0.00 C ATOM 526 NH1 ARG A 38 -7.012 7.435 8.419 1.00 0.00 N ATOM 527 NH2 ARG A 38 -8.133 5.876 9.675 1.00 0.00 N ATOM 0 H ARG A 38 -5.470 8.236 2.550 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.446 5.571 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.017 7.720 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.589 7.667 3.936 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.559 5.161 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.455 5.896 6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.293 7.784 6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.351 6.572 5.536 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.304 5.363 7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.844 7.896 7.525 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.481 7.714 9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.830 5.135 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.600 6.158 10.497 1.00 0.00 H new ATOM 541 N GLY A 39 -7.514 4.371 2.630 1.00 0.00 N ATOM 542 CA GLY A 39 -8.537 3.613 1.934 1.00 0.00 C ATOM 543 C GLY A 39 -8.059 3.088 0.595 1.00 0.00 C ATOM 544 O GLY A 39 -8.706 2.233 -0.010 1.00 0.00 O ATOM 0 H GLY A 39 -7.045 3.867 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.852 2.776 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.412 4.244 1.782 1.00 0.00 H new ATOM 548 N GLU A 40 -6.925 3.602 0.130 1.00 0.00 N ATOM 549 CA GLU A 40 -6.363 3.181 -1.148 1.00 0.00 C ATOM 550 C GLU A 40 -5.841 1.749 -1.067 1.00 0.00 C ATOM 551 O GLU A 40 -5.189 1.368 -0.095 1.00 0.00 O ATOM 552 CB GLU A 40 -5.235 4.124 -1.570 1.00 0.00 C ATOM 553 CG GLU A 40 -4.922 4.072 -3.056 1.00 0.00 C ATOM 554 CD GLU A 40 -6.165 3.904 -3.909 1.00 0.00 C ATOM 555 OE1 GLU A 40 -6.862 4.913 -4.144 1.00 0.00 O ATOM 556 OE2 GLU A 40 -6.440 2.765 -4.340 1.00 0.00 O ATOM 0 H GLU A 40 -6.378 4.310 0.619 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.156 3.219 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.506 5.145 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.335 3.874 -1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.407 4.988 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.238 3.246 -3.251 1.00 0.00 H new ATOM 563 N LYS A 41 -6.133 0.961 -2.096 1.00 0.00 N ATOM 564 CA LYS A 41 -5.694 -0.429 -2.144 1.00 0.00 C ATOM 565 C LYS A 41 -4.292 -0.536 -2.736 1.00 0.00 C ATOM 566 O LYS A 41 -3.963 0.148 -3.706 1.00 0.00 O ATOM 567 CB LYS A 41 -6.673 -1.266 -2.970 1.00 0.00 C ATOM 568 CG LYS A 41 -6.496 -2.764 -2.788 1.00 0.00 C ATOM 569 CD LYS A 41 -7.639 -3.541 -3.417 1.00 0.00 C ATOM 570 CE LYS A 41 -8.797 -3.715 -2.446 1.00 0.00 C ATOM 571 NZ LYS A 41 -9.476 -2.422 -2.156 1.00 0.00 N ATOM 0 H LYS A 41 -6.672 1.261 -2.908 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.669 -0.812 -1.124 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.692 -0.993 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.549 -1.019 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.553 -3.077 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.438 -2.998 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.986 -3.020 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.282 -4.520 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.518 -4.418 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.429 -4.149 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.430 -2.606 -1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.926 -1.892 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.547 -1.863 -3.030 1.00 0.00 H new ATOM 585 N LEU A 42 -3.471 -1.399 -2.148 1.00 0.00 N ATOM 586 CA LEU A 42 -2.105 -1.597 -2.619 1.00 0.00 C ATOM 587 C LEU A 42 -1.764 -3.082 -2.692 1.00 0.00 C ATOM 588 O LEU A 42 -2.066 -3.844 -1.774 1.00 0.00 O ATOM 589 CB LEU A 42 -1.117 -0.881 -1.696 1.00 0.00 C ATOM 590 CG LEU A 42 -1.535 0.510 -1.217 1.00 0.00 C ATOM 591 CD1 LEU A 42 -0.702 0.934 -0.017 1.00 0.00 C ATOM 592 CD2 LEU A 42 -1.404 1.524 -2.344 1.00 0.00 C ATOM 0 H LEU A 42 -3.727 -1.973 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.028 -1.175 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.947 -1.509 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.163 -0.793 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.581 0.469 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.014 1.926 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.846 0.222 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.352 0.958 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.706 2.508 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.368 1.562 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.045 1.229 -3.175 1.00 0.00 H new ATOM 604 N ARG A 43 -1.131 -3.486 -3.789 1.00 0.00 N ATOM 605 CA ARG A 43 -0.748 -4.879 -3.981 1.00 0.00 C ATOM 606 C ARG A 43 0.622 -5.156 -3.371 1.00 0.00 C ATOM 607 O ARG A 43 1.570 -4.397 -3.577 1.00 0.00 O ATOM 608 CB ARG A 43 -0.734 -5.226 -5.471 1.00 0.00 C ATOM 609 CG ARG A 43 -0.420 -6.686 -5.754 1.00 0.00 C ATOM 610 CD ARG A 43 -0.789 -7.069 -7.179 1.00 0.00 C ATOM 611 NE ARG A 43 0.022 -8.177 -7.675 1.00 0.00 N ATOM 612 CZ ARG A 43 1.295 -8.054 -8.034 1.00 0.00 C ATOM 613 NH1 ARG A 43 1.900 -6.876 -7.951 1.00 0.00 N ATOM 614 NH2 ARG A 43 1.967 -9.110 -8.475 1.00 0.00 N ATOM 0 H ARG A 43 -0.873 -2.868 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.484 -5.504 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.705 -4.982 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.003 -4.601 -5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.642 -6.869 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.965 -7.319 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.843 -7.345 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.661 -6.205 -7.831 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.413 -9.097 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.388 -6.062 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.878 -6.784 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.506 -10.018 -8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.944 -9.014 -8.750 1.00 0.00 H new ATOM 628 N VAL A 44 0.720 -6.246 -2.617 1.00 0.00 N ATOM 629 CA VAL A 44 1.974 -6.623 -1.977 1.00 0.00 C ATOM 630 C VAL A 44 2.988 -7.118 -3.002 1.00 0.00 C ATOM 631 O VAL A 44 2.847 -8.210 -3.553 1.00 0.00 O ATOM 632 CB VAL A 44 1.756 -7.720 -0.917 1.00 0.00 C ATOM 633 CG1 VAL A 44 3.073 -8.087 -0.249 1.00 0.00 C ATOM 634 CG2 VAL A 44 0.734 -7.267 0.114 1.00 0.00 C ATOM 0 H VAL A 44 -0.055 -6.884 -2.434 1.00 0.00 H new ATOM 0 HA VAL A 44 2.361 -5.728 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 44 1.368 -8.610 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.899 -8.863 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.772 -8.455 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.493 -7.206 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.592 -8.053 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.091 -6.363 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.215 -7.059 -0.381 1.00 0.00 H new ATOM 644 N ILE A 45 4.010 -6.307 -3.254 1.00 0.00 N ATOM 645 CA ILE A 45 5.049 -6.663 -4.212 1.00 0.00 C ATOM 646 C ILE A 45 6.043 -7.648 -3.606 1.00 0.00 C ATOM 647 O ILE A 45 6.346 -8.684 -4.197 1.00 0.00 O ATOM 648 CB ILE A 45 5.812 -5.419 -4.705 1.00 0.00 C ATOM 649 CG1 ILE A 45 5.049 -4.745 -5.847 1.00 0.00 C ATOM 650 CG2 ILE A 45 7.216 -5.800 -5.150 1.00 0.00 C ATOM 651 CD1 ILE A 45 4.115 -3.648 -5.386 1.00 0.00 C ATOM 0 H ILE A 45 4.141 -5.399 -2.808 1.00 0.00 H new ATOM 0 HA ILE A 45 4.548 -7.131 -5.059 1.00 0.00 H new ATOM 0 HB ILE A 45 5.894 -4.711 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.765 -4.328 -6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.473 -5.499 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 45 7.742 -4.910 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.757 -6.239 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.156 -6.524 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.608 -3.215 -6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.376 -4.064 -4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.687 -2.874 -4.875 1.00 0.00 H new ATOM 663 N SER A 46 6.546 -7.318 -2.420 1.00 0.00 N ATOM 664 CA SER A 46 7.508 -8.172 -1.733 1.00 0.00 C ATOM 665 C SER A 46 7.528 -7.873 -0.237 1.00 0.00 C ATOM 666 O SER A 46 7.141 -6.787 0.195 1.00 0.00 O ATOM 667 CB SER A 46 8.906 -7.978 -2.322 1.00 0.00 C ATOM 668 OG SER A 46 9.680 -9.158 -2.198 1.00 0.00 O ATOM 0 H SER A 46 6.303 -6.466 -1.915 1.00 0.00 H new ATOM 0 HA SER A 46 7.203 -9.209 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.826 -7.701 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.408 -7.155 -1.813 1.00 0.00 H new ATOM 0 HG SER A 46 10.568 -9.008 -2.583 1.00 0.00 H new ATOM 674 N ASP A 47 7.981 -8.844 0.548 1.00 0.00 N ATOM 675 CA ASP A 47 8.053 -8.686 1.995 1.00 0.00 C ATOM 676 C ASP A 47 9.503 -8.569 2.458 1.00 0.00 C ATOM 677 O ASP A 47 10.302 -9.484 2.262 1.00 0.00 O ATOM 678 CB ASP A 47 7.377 -9.867 2.693 1.00 0.00 C ATOM 679 CG ASP A 47 8.013 -11.195 2.331 1.00 0.00 C ATOM 680 OD1 ASP A 47 8.278 -11.419 1.131 1.00 0.00 O ATOM 681 OD2 ASP A 47 8.247 -12.010 3.248 1.00 0.00 O ATOM 0 H ASP A 47 8.304 -9.749 0.206 1.00 0.00 H new ATOM 0 HA ASP A 47 7.529 -7.768 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.428 -9.725 3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.321 -9.888 2.424 1.00 0.00 H new ATOM 686 N GLU A 48 9.833 -7.436 3.070 1.00 0.00 N ATOM 687 CA GLU A 48 11.187 -7.200 3.558 1.00 0.00 C ATOM 688 C GLU A 48 11.188 -6.958 5.065 1.00 0.00 C ATOM 689 O GLU A 48 11.141 -5.816 5.521 1.00 0.00 O ATOM 690 CB GLU A 48 11.810 -6.002 2.838 1.00 0.00 C ATOM 691 CG GLU A 48 11.942 -6.195 1.337 1.00 0.00 C ATOM 692 CD GLU A 48 13.265 -6.823 0.943 1.00 0.00 C ATOM 693 OE1 GLU A 48 14.318 -6.277 1.333 1.00 0.00 O ATOM 694 OE2 GLU A 48 13.247 -7.858 0.246 1.00 0.00 O ATOM 0 H GLU A 48 9.183 -6.669 3.239 1.00 0.00 H new ATOM 0 HA GLU A 48 11.781 -8.090 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.203 -5.117 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.797 -5.809 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.126 -6.824 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.840 -5.230 0.840 1.00 0.00 H new ATOM 701 N GLY A 49 11.240 -8.042 5.832 1.00 0.00 N ATOM 702 CA GLY A 49 11.245 -7.928 7.279 1.00 0.00 C ATOM 703 C GLY A 49 9.988 -7.269 7.813 1.00 0.00 C ATOM 704 O GLY A 49 8.877 -7.705 7.517 1.00 0.00 O ATOM 0 H GLY A 49 11.279 -8.998 5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.346 -8.920 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.115 -7.351 7.592 1.00 0.00 H new ATOM 708 N GLY A 50 10.164 -6.216 8.605 1.00 0.00 N ATOM 709 CA GLY A 50 9.026 -5.514 9.170 1.00 0.00 C ATOM 710 C GLY A 50 8.287 -4.683 8.140 1.00 0.00 C ATOM 711 O GLY A 50 7.098 -4.405 8.295 1.00 0.00 O ATOM 0 H GLY A 50 11.074 -5.836 8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.339 -6.237 9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.367 -4.866 9.978 1.00 0.00 H new ATOM 715 N TRP A 51 8.992 -4.286 7.087 1.00 0.00 N ATOM 716 CA TRP A 51 8.395 -3.480 6.028 1.00 0.00 C ATOM 717 C TRP A 51 8.289 -4.276 4.732 1.00 0.00 C ATOM 718 O TRP A 51 9.063 -5.204 4.498 1.00 0.00 O ATOM 719 CB TRP A 51 9.220 -2.213 5.797 1.00 0.00 C ATOM 720 CG TRP A 51 9.066 -1.197 6.887 1.00 0.00 C ATOM 721 CD1 TRP A 51 9.076 -1.431 8.233 1.00 0.00 C ATOM 722 CD2 TRP A 51 8.879 0.214 6.725 1.00 0.00 C ATOM 723 NE1 TRP A 51 8.905 -0.251 8.916 1.00 0.00 N ATOM 724 CE2 TRP A 51 8.783 0.773 8.014 1.00 0.00 C ATOM 725 CE3 TRP A 51 8.785 1.059 5.616 1.00 0.00 C ATOM 726 CZ2 TRP A 51 8.597 2.137 8.222 1.00 0.00 C ATOM 727 CZ3 TRP A 51 8.600 2.412 5.823 1.00 0.00 C ATOM 728 CH2 TRP A 51 8.508 2.941 7.118 1.00 0.00 C ATOM 0 H TRP A 51 9.977 -4.509 6.944 1.00 0.00 H new ATOM 0 HA TRP A 51 7.390 -3.198 6.342 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.272 -2.484 5.709 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.926 -1.765 4.848 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.200 -2.400 8.692 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.874 -0.153 9.931 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.856 0.661 4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.525 2.546 9.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 8.525 3.074 4.973 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.364 4.004 7.247 1.00 0.00 H new ATOM 739 N TRP A 52 7.327 -3.908 3.894 1.00 0.00 N ATOM 740 CA TRP A 52 7.121 -4.589 2.621 1.00 0.00 C ATOM 741 C TRP A 52 6.884 -3.585 1.498 1.00 0.00 C ATOM 742 O TRP A 52 6.595 -2.415 1.749 1.00 0.00 O ATOM 743 CB TRP A 52 5.936 -5.551 2.720 1.00 0.00 C ATOM 744 CG TRP A 52 4.752 -4.965 3.428 1.00 0.00 C ATOM 745 CD1 TRP A 52 4.488 -3.639 3.623 1.00 0.00 C ATOM 746 CD2 TRP A 52 3.674 -5.685 4.037 1.00 0.00 C ATOM 747 NE1 TRP A 52 3.311 -3.492 4.317 1.00 0.00 N ATOM 748 CE2 TRP A 52 2.792 -4.732 4.581 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.368 -7.041 4.172 1.00 0.00 C ATOM 750 CZ2 TRP A 52 1.626 -5.094 5.251 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.211 -7.400 4.838 1.00 0.00 C ATOM 752 CH2 TRP A 52 1.351 -6.429 5.369 1.00 0.00 C ATOM 0 H TRP A 52 6.677 -3.142 4.073 1.00 0.00 H new ATOM 0 HA TRP A 52 8.023 -5.156 2.391 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.637 -5.852 1.716 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.253 -6.454 3.243 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.112 -2.826 3.282 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.892 -2.603 4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.024 -7.796 3.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.963 -4.348 5.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.966 -8.446 4.951 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.453 -6.741 5.882 1.00 0.00 H new ATOM 763 N LYS A 53 7.008 -4.049 0.259 1.00 0.00 N ATOM 764 CA LYS A 53 6.806 -3.192 -0.903 1.00 0.00 C ATOM 765 C LYS A 53 5.407 -3.380 -1.481 1.00 0.00 C ATOM 766 O LYS A 53 4.878 -4.491 -1.501 1.00 0.00 O ATOM 767 CB LYS A 53 7.857 -3.494 -1.974 1.00 0.00 C ATOM 768 CG LYS A 53 8.041 -2.370 -2.979 1.00 0.00 C ATOM 769 CD LYS A 53 8.436 -2.904 -4.346 1.00 0.00 C ATOM 770 CE LYS A 53 9.305 -1.911 -5.102 1.00 0.00 C ATOM 771 NZ LYS A 53 8.777 -0.522 -4.999 1.00 0.00 N ATOM 0 H LYS A 53 7.248 -5.015 0.034 1.00 0.00 H new ATOM 0 HA LYS A 53 6.911 -2.156 -0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.812 -3.695 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.572 -4.402 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.115 -1.801 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.807 -1.682 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.974 -3.845 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.539 -3.120 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.321 -1.944 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.360 -2.202 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.057 0.019 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.739 -0.549 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.165 -0.065 -4.149 1.00 0.00 H new ATOM 785 N ALA A 54 4.815 -2.288 -1.952 1.00 0.00 N ATOM 786 CA ALA A 54 3.479 -2.334 -2.534 1.00 0.00 C ATOM 787 C ALA A 54 3.277 -1.201 -3.534 1.00 0.00 C ATOM 788 O ALA A 54 4.042 -0.237 -3.558 1.00 0.00 O ATOM 789 CB ALA A 54 2.424 -2.270 -1.440 1.00 0.00 C ATOM 0 H ALA A 54 5.239 -1.360 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 54 3.375 -3.278 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.431 -2.305 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.547 -3.117 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.536 -1.341 -0.880 1.00 0.00 H new ATOM 795 N ILE A 55 2.242 -1.325 -4.360 1.00 0.00 N ATOM 796 CA ILE A 55 1.940 -0.310 -5.362 1.00 0.00 C ATOM 797 C ILE A 55 0.462 0.065 -5.336 1.00 0.00 C ATOM 798 O ILE A 55 -0.397 -0.774 -5.067 1.00 0.00 O ATOM 799 CB ILE A 55 2.312 -0.789 -6.777 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.117 0.342 -7.789 1.00 0.00 C ATOM 801 CG2 ILE A 55 1.478 -2.001 -7.163 1.00 0.00 C ATOM 802 CD1 ILE A 55 2.645 0.016 -9.169 1.00 0.00 C ATOM 0 H ILE A 55 1.600 -2.117 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 55 2.539 0.566 -5.115 1.00 0.00 H new ATOM 0 HB ILE A 55 3.363 -1.079 -6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.055 0.575 -7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.616 1.238 -7.420 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.753 -2.327 -8.166 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.662 -2.809 -6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.421 -1.736 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.473 0.862 -9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.714 -0.188 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.129 -0.862 -9.558 1.00 0.00 H new ATOM 814 N SER A 56 0.174 1.331 -5.618 1.00 0.00 N ATOM 815 CA SER A 56 -1.200 1.819 -5.626 1.00 0.00 C ATOM 816 C SER A 56 -1.853 1.583 -6.984 1.00 0.00 C ATOM 817 O SER A 56 -1.321 1.985 -8.020 1.00 0.00 O ATOM 818 CB SER A 56 -1.237 3.309 -5.281 1.00 0.00 C ATOM 819 OG SER A 56 -0.504 4.069 -6.226 1.00 0.00 O ATOM 0 H SER A 56 0.874 2.038 -5.844 1.00 0.00 H new ATOM 0 HA SER A 56 -1.760 1.265 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.271 3.654 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.824 3.465 -4.285 1.00 0.00 H new ATOM 0 HG SER A 56 -0.544 5.018 -5.984 1.00 0.00 H new ATOM 825 N LEU A 57 -3.009 0.929 -6.972 1.00 0.00 N ATOM 826 CA LEU A 57 -3.737 0.638 -8.203 1.00 0.00 C ATOM 827 C LEU A 57 -4.441 1.886 -8.726 1.00 0.00 C ATOM 828 O LEU A 57 -5.196 1.823 -9.697 1.00 0.00 O ATOM 829 CB LEU A 57 -4.758 -0.476 -7.964 1.00 0.00 C ATOM 830 CG LEU A 57 -4.268 -1.672 -7.147 1.00 0.00 C ATOM 831 CD1 LEU A 57 -5.439 -2.386 -6.491 1.00 0.00 C ATOM 832 CD2 LEU A 57 -3.480 -2.632 -8.027 1.00 0.00 C ATOM 0 H LEU A 57 -3.463 0.590 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.018 0.308 -8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.623 -0.046 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.102 -0.840 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.607 -1.305 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.071 -3.234 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.961 -1.696 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.126 -2.741 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.139 -3.477 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.118 -2.992 -8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.618 -2.115 -8.449 1.00 0.00 H new ATOM 844 N SER A 58 -4.188 3.018 -8.078 1.00 0.00 N ATOM 845 CA SER A 58 -4.799 4.281 -8.477 1.00 0.00 C ATOM 846 C SER A 58 -3.922 5.013 -9.488 1.00 0.00 C ATOM 847 O SER A 58 -4.394 5.449 -10.538 1.00 0.00 O ATOM 848 CB SER A 58 -5.035 5.167 -7.253 1.00 0.00 C ATOM 849 OG SER A 58 -5.900 6.245 -7.563 1.00 0.00 O ATOM 0 H SER A 58 -3.564 3.087 -7.274 1.00 0.00 H new ATOM 0 HA SER A 58 -5.758 4.060 -8.946 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.465 4.572 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.082 5.554 -6.891 1.00 0.00 H new ATOM 0 HG SER A 58 -6.036 6.795 -6.764 1.00 0.00 H new ATOM 855 N THR A 59 -2.639 5.146 -9.163 1.00 0.00 N ATOM 856 CA THR A 59 -1.695 5.826 -10.040 1.00 0.00 C ATOM 857 C THR A 59 -0.616 4.869 -10.534 1.00 0.00 C ATOM 858 O THR A 59 -0.146 4.979 -11.665 1.00 0.00 O ATOM 859 CB THR A 59 -1.023 7.015 -9.327 1.00 0.00 C ATOM 860 OG1 THR A 59 -0.068 6.538 -8.373 1.00 0.00 O ATOM 861 CG2 THR A 59 -2.059 7.881 -8.626 1.00 0.00 C ATOM 0 H THR A 59 -2.231 4.791 -8.298 1.00 0.00 H new ATOM 0 HA THR A 59 -2.265 6.197 -10.892 1.00 0.00 H new ATOM 0 HB THR A 59 -0.515 7.620 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.458 5.798 -7.862 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.561 8.714 -8.130 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.767 8.266 -9.359 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.592 7.284 -7.886 1.00 0.00 H new ATOM 869 N GLY A 60 -0.228 3.929 -9.678 1.00 0.00 N ATOM 870 CA GLY A 60 0.793 2.965 -10.047 1.00 0.00 C ATOM 871 C GLY A 60 2.143 3.290 -9.439 1.00 0.00 C ATOM 872 O GLY A 60 3.180 2.879 -9.959 1.00 0.00 O ATOM 0 H GLY A 60 -0.602 3.817 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.483 1.971 -9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.885 2.935 -11.133 1.00 0.00 H new ATOM 876 N ARG A 61 2.131 4.030 -8.335 1.00 0.00 N ATOM 877 CA ARG A 61 3.364 4.412 -7.658 1.00 0.00 C ATOM 878 C ARG A 61 3.860 3.285 -6.756 1.00 0.00 C ATOM 879 O ARG A 61 3.133 2.809 -5.885 1.00 0.00 O ATOM 880 CB ARG A 61 3.145 5.681 -6.832 1.00 0.00 C ATOM 881 CG ARG A 61 3.143 6.955 -7.662 1.00 0.00 C ATOM 882 CD ARG A 61 3.558 8.160 -6.833 1.00 0.00 C ATOM 883 NE ARG A 61 3.931 9.298 -7.670 1.00 0.00 N ATOM 884 CZ ARG A 61 4.589 10.359 -7.217 1.00 0.00 C ATOM 885 NH1 ARG A 61 4.945 10.428 -5.942 1.00 0.00 N ATOM 886 NH2 ARG A 61 4.892 11.354 -8.041 1.00 0.00 N ATOM 0 H ARG A 61 1.281 4.377 -7.891 1.00 0.00 H new ATOM 0 HA ARG A 61 4.121 4.607 -8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.195 5.601 -6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.927 5.751 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.823 6.841 -8.507 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.148 7.121 -8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.738 8.447 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.399 7.889 -6.194 1.00 0.00 H new ATOM 0 HE ARG A 61 3.672 9.276 -8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.714 9.665 -5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.450 11.244 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.620 11.304 -9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.397 12.169 -7.693 1.00 0.00 H new ATOM 900 N GLU A 62 5.103 2.865 -6.973 1.00 0.00 N ATOM 901 CA GLU A 62 5.695 1.794 -6.180 1.00 0.00 C ATOM 902 C GLU A 62 6.584 2.360 -5.077 1.00 0.00 C ATOM 903 O GLU A 62 7.573 3.041 -5.351 1.00 0.00 O ATOM 904 CB GLU A 62 6.509 0.857 -7.076 1.00 0.00 C ATOM 905 CG GLU A 62 5.700 -0.297 -7.644 1.00 0.00 C ATOM 906 CD GLU A 62 6.288 -0.844 -8.930 1.00 0.00 C ATOM 907 OE1 GLU A 62 6.761 -0.036 -9.756 1.00 0.00 O ATOM 908 OE2 GLU A 62 6.275 -2.080 -9.111 1.00 0.00 O ATOM 0 H GLU A 62 5.718 3.249 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 62 4.886 1.230 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.933 1.432 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.345 0.456 -6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.646 -1.096 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.679 0.036 -7.829 1.00 0.00 H new ATOM 915 N SER A 63 6.225 2.075 -3.830 1.00 0.00 N ATOM 916 CA SER A 63 6.986 2.560 -2.685 1.00 0.00 C ATOM 917 C SER A 63 6.939 1.556 -1.537 1.00 0.00 C ATOM 918 O SER A 63 6.175 0.591 -1.573 1.00 0.00 O ATOM 919 CB SER A 63 6.442 3.911 -2.218 1.00 0.00 C ATOM 920 OG SER A 63 7.380 4.581 -1.394 1.00 0.00 O ATOM 0 H SER A 63 5.411 1.510 -3.587 1.00 0.00 H new ATOM 0 HA SER A 63 8.023 2.683 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.206 4.530 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.512 3.762 -1.669 1.00 0.00 H new ATOM 0 HG SER A 63 7.009 5.443 -1.110 1.00 0.00 H new ATOM 926 N TYR A 64 7.761 1.790 -0.520 1.00 0.00 N ATOM 927 CA TYR A 64 7.816 0.906 0.638 1.00 0.00 C ATOM 928 C TYR A 64 7.120 1.539 1.840 1.00 0.00 C ATOM 929 O TYR A 64 7.512 2.609 2.305 1.00 0.00 O ATOM 930 CB TYR A 64 9.268 0.580 0.989 1.00 0.00 C ATOM 931 CG TYR A 64 10.102 0.172 -0.205 1.00 0.00 C ATOM 932 CD1 TYR A 64 10.794 1.119 -0.950 1.00 0.00 C ATOM 933 CD2 TYR A 64 10.198 -1.160 -0.588 1.00 0.00 C ATOM 934 CE1 TYR A 64 11.557 0.751 -2.041 1.00 0.00 C ATOM 935 CE2 TYR A 64 10.959 -1.538 -1.677 1.00 0.00 C ATOM 936 CZ TYR A 64 11.637 -0.579 -2.400 1.00 0.00 C ATOM 937 OH TYR A 64 12.395 -0.950 -3.487 1.00 0.00 O ATOM 0 H TYR A 64 8.399 2.585 -0.474 1.00 0.00 H new ATOM 0 HA TYR A 64 7.295 -0.017 0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 64 9.724 1.451 1.460 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.284 -0.224 1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 64 10.734 2.161 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.668 -1.913 -0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.088 1.500 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 64 11.023 -2.578 -1.961 1.00 0.00 H new ATOM 0 HH TYR A 64 12.346 -1.922 -3.604 1.00 0.00 H new ATOM 947 N ILE A 65 6.086 0.868 2.337 1.00 0.00 N ATOM 948 CA ILE A 65 5.337 1.363 3.485 1.00 0.00 C ATOM 949 C ILE A 65 5.255 0.308 4.583 1.00 0.00 C ATOM 950 O ILE A 65 5.210 -0.894 4.322 1.00 0.00 O ATOM 951 CB ILE A 65 3.911 1.786 3.087 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.123 0.579 2.571 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.958 2.884 2.035 1.00 0.00 C ATOM 954 CD1 ILE A 65 3.626 0.051 1.246 1.00 0.00 C ATOM 0 H ILE A 65 5.748 -0.019 1.963 1.00 0.00 H new ATOM 0 HA ILE A 65 5.874 2.234 3.861 1.00 0.00 H new ATOM 0 HB ILE A 65 3.404 2.177 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.170 -0.219 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.074 0.857 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.942 3.172 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.486 3.749 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.479 2.518 1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.021 -0.803 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.554 0.834 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.666 -0.259 1.349 1.00 0.00 H new ATOM 966 N PRO A 66 5.232 0.767 5.844 1.00 0.00 N ATOM 967 CA PRO A 66 5.152 -0.120 7.008 1.00 0.00 C ATOM 968 C PRO A 66 3.792 -0.799 7.127 1.00 0.00 C ATOM 969 O PRO A 66 2.752 -0.155 6.998 1.00 0.00 O ATOM 970 CB PRO A 66 5.384 0.824 8.190 1.00 0.00 C ATOM 971 CG PRO A 66 4.953 2.162 7.696 1.00 0.00 C ATOM 972 CD PRO A 66 5.282 2.187 6.229 1.00 0.00 C ATOM 0 HA PRO A 66 5.872 -0.936 6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.804 0.518 9.061 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.432 0.832 8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.886 2.313 7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.473 2.960 8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.563 2.782 5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.266 2.619 6.045 1.00 0.00 H new ATOM 980 N GLY A 67 3.808 -2.106 7.375 1.00 0.00 N ATOM 981 CA GLY A 67 2.569 -2.850 7.507 1.00 0.00 C ATOM 982 C GLY A 67 1.572 -2.160 8.417 1.00 0.00 C ATOM 983 O GLY A 67 0.362 -2.285 8.231 1.00 0.00 O ATOM 0 H GLY A 67 4.656 -2.662 7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.123 -2.985 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.786 -3.844 7.898 1.00 0.00 H new ATOM 987 N ILE A 68 2.081 -1.431 9.405 1.00 0.00 N ATOM 988 CA ILE A 68 1.227 -0.720 10.347 1.00 0.00 C ATOM 989 C ILE A 68 0.424 0.371 9.646 1.00 0.00 C ATOM 990 O ILE A 68 -0.707 0.668 10.030 1.00 0.00 O ATOM 991 CB ILE A 68 2.049 -0.086 11.485 1.00 0.00 C ATOM 992 CG1 ILE A 68 1.141 0.261 12.667 1.00 0.00 C ATOM 993 CG2 ILE A 68 2.775 1.155 10.986 1.00 0.00 C ATOM 994 CD1 ILE A 68 0.646 -0.952 13.424 1.00 0.00 C ATOM 0 H ILE A 68 3.081 -1.318 9.573 1.00 0.00 H new ATOM 0 HA ILE A 68 0.543 -1.456 10.770 1.00 0.00 H new ATOM 0 HB ILE A 68 2.793 -0.808 11.822 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.684 0.911 13.353 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.284 0.827 12.303 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.351 1.592 11.801 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.447 0.881 10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.047 1.882 10.626 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.008 -0.631 14.248 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.075 -1.593 12.752 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.497 -1.507 13.819 1.00 0.00 H new ATOM 1006 N CYS A 69 1.017 0.963 8.615 1.00 0.00 N ATOM 1007 CA CYS A 69 0.357 2.022 7.858 1.00 0.00 C ATOM 1008 C CYS A 69 -0.634 1.437 6.857 1.00 0.00 C ATOM 1009 O CYS A 69 -1.198 2.157 6.033 1.00 0.00 O ATOM 1010 CB CYS A 69 1.394 2.877 7.128 1.00 0.00 C ATOM 1011 SG CYS A 69 2.122 4.182 8.146 1.00 0.00 S ATOM 0 H CYS A 69 1.953 0.728 8.284 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.192 2.650 8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.191 2.229 6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.925 3.331 6.255 1.00 0.00 H new ATOM 0 HG CYS A 69 2.875 4.941 7.406 1.00 0.00 H new ATOM 1017 N VAL A 70 -0.840 0.126 6.932 1.00 0.00 N ATOM 1018 CA VAL A 70 -1.763 -0.556 6.033 1.00 0.00 C ATOM 1019 C VAL A 70 -2.430 -1.740 6.724 1.00 0.00 C ATOM 1020 O VAL A 70 -2.038 -2.132 7.822 1.00 0.00 O ATOM 1021 CB VAL A 70 -1.044 -1.054 4.764 1.00 0.00 C ATOM 1022 CG1 VAL A 70 -0.480 0.117 3.975 1.00 0.00 C ATOM 1023 CG2 VAL A 70 0.054 -2.041 5.128 1.00 0.00 C ATOM 0 H VAL A 70 -0.380 -0.485 7.607 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.524 0.171 5.750 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.770 -1.569 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.024 -0.254 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.292 0.783 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.233 0.663 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.552 -2.383 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.780 -1.554 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.382 -2.895 5.646 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.441 -2.305 6.072 1.00 0.00 N ATOM 1034 CA ALA A 71 -4.162 -3.446 6.622 1.00 0.00 C ATOM 1035 C ALA A 71 -4.366 -4.528 5.567 1.00 0.00 C ATOM 1036 O ALA A 71 -4.721 -4.235 4.425 1.00 0.00 O ATOM 1037 CB ALA A 71 -5.501 -3.000 7.190 1.00 0.00 C ATOM 0 H ALA A 71 -3.779 -1.991 5.162 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.561 -3.870 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.029 -3.862 7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.335 -2.269 7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.100 -2.549 6.399 1.00 0.00 H new ATOM 1043 N ARG A 72 -4.138 -5.778 5.956 1.00 0.00 N ATOM 1044 CA ARG A 72 -4.295 -6.903 5.042 1.00 0.00 C ATOM 1045 C ARG A 72 -5.763 -7.106 4.677 1.00 0.00 C ATOM 1046 O ARG A 72 -6.578 -7.480 5.521 1.00 0.00 O ATOM 1047 CB ARG A 72 -3.734 -8.180 5.670 1.00 0.00 C ATOM 1048 CG ARG A 72 -3.186 -9.168 4.653 1.00 0.00 C ATOM 1049 CD ARG A 72 -1.737 -8.866 4.307 1.00 0.00 C ATOM 1050 NE ARG A 72 -0.813 -9.386 5.312 1.00 0.00 N ATOM 1051 CZ ARG A 72 -0.527 -10.676 5.449 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -1.089 -11.572 4.649 1.00 0.00 N ATOM 1053 NH2 ARG A 72 0.323 -11.072 6.387 1.00 0.00 N ATOM 0 H ARG A 72 -3.844 -6.037 6.898 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.739 -6.679 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.941 -7.913 6.369 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.519 -8.666 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.263 -10.180 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.792 -9.134 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.498 -9.300 3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.604 -7.788 4.215 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.363 -8.723 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.743 -11.271 3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.867 -12.562 4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.758 -10.386 7.004 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.542 -12.063 6.491 1.00 0.00 H new ATOM 1067 N VAL A 73 -6.094 -6.856 3.414 1.00 0.00 N ATOM 1068 CA VAL A 73 -7.462 -7.012 2.937 1.00 0.00 C ATOM 1069 C VAL A 73 -7.777 -8.473 2.636 1.00 0.00 C ATOM 1070 O VAL A 73 -6.919 -9.219 2.163 1.00 0.00 O ATOM 1071 CB VAL A 73 -7.714 -6.173 1.670 1.00 0.00 C ATOM 1072 CG1 VAL A 73 -9.198 -6.142 1.336 1.00 0.00 C ATOM 1073 CG2 VAL A 73 -7.169 -4.764 1.847 1.00 0.00 C ATOM 0 H VAL A 73 -5.433 -6.544 2.703 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.116 -6.659 3.734 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.188 -6.639 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.356 -5.545 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.553 -7.158 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.749 -5.701 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.356 -4.185 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.664 -4.286 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.096 -4.810 2.033 1.00 0.00 H new