USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 707 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 61 LYS NZ :NH3+ 139:sc= 0.375 (180deg=0.0048) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 47 LYS NZ :NH3+ 162:sc= 1.08 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.931 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 142:sc= -0.632 (180deg=-2.63!) USER MOD Single : A 33 TYR OH : rot 29:sc= 0.0504 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 45 MET CE :methyl -170:sc= -0.435 (180deg=-0.545) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 1.33 (180deg=1.26) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -177:sc= 0 (180deg=-0.0292) USER MOD Single : A 74 CYS SG : rot 163:sc= 0.313 USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.21) USER MOD Single : A 78 MET CE :methyl 166:sc= -0.0182 (180deg=-0.133) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -111:sc= 0.805 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 110 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.39) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N ILE A 18 -0.718 -7.420 13.393 1.00 0.00 N ATOM 281 CA ILE A 18 -1.834 -7.158 12.484 1.00 0.00 C ATOM 282 C ILE A 18 -2.701 -8.417 12.350 1.00 0.00 C ATOM 283 O ILE A 18 -3.929 -8.312 12.340 1.00 0.00 O ATOM 284 CB ILE A 18 -1.316 -6.651 11.111 1.00 0.00 C ATOM 285 CG1 ILE A 18 -0.365 -5.443 11.306 1.00 0.00 C ATOM 286 CG2 ILE A 18 -2.487 -6.266 10.183 1.00 0.00 C ATOM 287 CD1 ILE A 18 0.104 -4.776 10.008 1.00 0.00 C ATOM 0 HA ILE A 18 -2.459 -6.366 12.896 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.763 -7.463 10.639 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.870 -4.697 11.919 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.511 -5.775 11.864 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.095 -5.915 9.229 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.121 -7.137 10.016 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.074 -5.474 10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.765 -3.942 10.246 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.642 -5.503 9.399 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.760 -4.408 9.455 1.00 0.00 H new ATOM 299 N ILE A 19 -2.082 -9.604 12.285 1.00 0.00 N ATOM 300 CA ILE A 19 -2.775 -10.849 11.934 1.00 0.00 C ATOM 301 C ILE A 19 -2.499 -12.005 12.917 1.00 0.00 C ATOM 302 O ILE A 19 -2.615 -13.167 12.548 1.00 0.00 O ATOM 303 CB ILE A 19 -2.460 -11.205 10.471 1.00 0.00 C ATOM 304 CG1 ILE A 19 -0.950 -11.436 10.319 1.00 0.00 C ATOM 305 CG2 ILE A 19 -2.989 -10.137 9.490 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.645 -12.120 9.004 1.00 0.00 C ATOM 0 H ILE A 19 -1.087 -9.727 12.474 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.848 -10.683 12.027 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.980 -12.127 10.213 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.424 -10.483 10.370 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.585 -12.046 11.145 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.745 -10.428 8.468 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.071 -10.051 9.594 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.526 -9.176 9.714 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.430 -12.275 8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.154 -13.083 8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.991 -11.496 8.180 1.00 0.00 H new ATOM 318 N VAL A 20 -2.116 -11.712 14.159 1.00 0.00 N ATOM 319 CA VAL A 20 -1.668 -12.709 15.144 1.00 0.00 C ATOM 320 C VAL A 20 -2.581 -13.946 15.284 1.00 0.00 C ATOM 321 O VAL A 20 -2.071 -15.061 15.413 1.00 0.00 O ATOM 322 CB VAL A 20 -1.390 -12.000 16.487 1.00 0.00 C ATOM 323 CG1 VAL A 20 -2.670 -11.496 17.173 1.00 0.00 C ATOM 324 CG2 VAL A 20 -0.612 -12.901 17.454 1.00 0.00 C ATOM 0 H VAL A 20 -2.106 -10.758 14.521 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.742 -13.143 14.767 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.780 -11.132 16.237 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.411 -11.007 18.112 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.176 -10.785 16.521 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.331 -12.339 17.373 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.436 -12.366 18.387 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.190 -13.803 17.656 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.344 -13.175 17.007 1.00 0.00 H new ATOM 334 N ASP A 21 -3.910 -13.782 15.221 1.00 0.00 N ATOM 335 CA ASP A 21 -4.889 -14.878 15.367 1.00 0.00 C ATOM 336 C ASP A 21 -5.556 -15.233 14.017 1.00 0.00 C ATOM 337 O ASP A 21 -6.425 -16.121 13.903 1.00 0.00 O ATOM 338 CB ASP A 21 -5.932 -14.462 16.415 1.00 0.00 C ATOM 339 CG ASP A 21 -6.921 -15.591 16.749 1.00 0.00 C ATOM 340 OD1 ASP A 21 -6.485 -16.672 17.206 1.00 0.00 O ATOM 341 OD2 ASP A 21 -8.149 -15.383 16.619 1.00 0.00 O ATOM 0 H ASP A 21 -4.345 -12.873 15.065 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.374 -15.779 15.700 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.421 -14.151 17.326 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.485 -13.597 16.048 1.00 0.00 H new ATOM 346 N ALA A 22 -5.131 -14.503 12.979 1.00 0.00 N ATOM 347 CA ALA A 22 -5.723 -14.476 11.665 1.00 0.00 C ATOM 348 C ALA A 22 -4.842 -15.224 10.673 1.00 0.00 C ATOM 349 O ALA A 22 -3.668 -14.917 10.466 1.00 0.00 O ATOM 350 CB ALA A 22 -5.936 -13.037 11.205 1.00 0.00 C ATOM 0 H ALA A 22 -4.321 -13.888 13.052 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.693 -14.971 11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.384 -13.035 10.211 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.600 -12.526 11.903 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.977 -12.520 11.172 1.00 0.00 H new ATOM 356 N GLU A 23 -5.468 -16.175 10.005 1.00 0.00 N ATOM 357 CA GLU A 23 -4.873 -16.967 8.932 1.00 0.00 C ATOM 358 C GLU A 23 -5.896 -17.463 7.920 1.00 0.00 C ATOM 359 O GLU A 23 -5.558 -17.718 6.763 1.00 0.00 O ATOM 360 CB GLU A 23 -4.012 -18.094 9.492 1.00 0.00 C ATOM 361 CG GLU A 23 -4.666 -19.420 9.897 1.00 0.00 C ATOM 362 CD GLU A 23 -5.420 -19.376 11.234 1.00 0.00 C ATOM 363 OE1 GLU A 23 -5.098 -18.578 12.139 1.00 0.00 O ATOM 364 OE2 GLU A 23 -6.387 -20.145 11.423 1.00 0.00 O ATOM 0 H GLU A 23 -6.437 -16.430 10.197 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.216 -16.300 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.249 -18.321 8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.496 -17.704 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.360 -19.723 9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.895 -20.188 9.954 1.00 0.00 H new ATOM 371 N ASP A 24 -7.158 -17.537 8.329 1.00 0.00 N ATOM 372 CA ASP A 24 -8.261 -17.774 7.427 1.00 0.00 C ATOM 373 C ASP A 24 -8.341 -16.471 6.625 1.00 0.00 C ATOM 374 O ASP A 24 -8.138 -15.384 7.178 1.00 0.00 O ATOM 375 CB ASP A 24 -9.542 -18.083 8.218 1.00 0.00 C ATOM 376 CG ASP A 24 -9.415 -19.294 9.176 1.00 0.00 C ATOM 377 OD1 ASP A 24 -9.569 -20.442 8.698 1.00 0.00 O ATOM 378 OD2 ASP A 24 -9.194 -19.120 10.405 1.00 0.00 O ATOM 0 H ASP A 24 -7.438 -17.432 9.304 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.131 -18.637 6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.820 -17.202 8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.354 -18.272 7.516 1.00 0.00 H new ATOM 383 N LYS A 25 -8.574 -16.548 5.314 1.00 0.00 N ATOM 384 CA LYS A 25 -8.428 -15.377 4.438 1.00 0.00 C ATOM 385 C LYS A 25 -9.299 -14.193 4.854 1.00 0.00 C ATOM 386 O LYS A 25 -8.869 -13.048 4.726 1.00 0.00 O ATOM 387 CB LYS A 25 -8.643 -15.763 2.968 1.00 0.00 C ATOM 388 CG LYS A 25 -10.084 -16.205 2.667 1.00 0.00 C ATOM 389 CD LYS A 25 -10.278 -16.663 1.216 1.00 0.00 C ATOM 390 CE LYS A 25 -9.445 -17.914 0.898 1.00 0.00 C ATOM 391 NZ LYS A 25 -9.671 -18.404 -0.485 1.00 0.00 N ATOM 0 H LYS A 25 -8.863 -17.401 4.835 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.401 -15.030 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.390 -14.913 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.959 -16.570 2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.357 -17.019 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.763 -15.378 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.333 -16.874 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.996 -15.856 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.387 -17.688 1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.695 -18.704 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.088 -19.249 -0.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.675 -18.646 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.408 -17.661 -1.164 1.00 0.00 H new ATOM 405 N GLU A 26 -10.497 -14.463 5.377 1.00 0.00 N ATOM 406 CA GLU A 26 -11.417 -13.420 5.806 1.00 0.00 C ATOM 407 C GLU A 26 -10.835 -12.712 7.028 1.00 0.00 C ATOM 408 O GLU A 26 -10.914 -11.489 7.128 1.00 0.00 O ATOM 409 CB GLU A 26 -12.793 -14.022 6.131 1.00 0.00 C ATOM 410 CG GLU A 26 -13.483 -14.603 4.887 1.00 0.00 C ATOM 411 CD GLU A 26 -14.880 -15.157 5.224 1.00 0.00 C ATOM 412 OE1 GLU A 26 -14.990 -16.331 5.648 1.00 0.00 O ATOM 413 OE2 GLU A 26 -15.887 -14.435 5.048 1.00 0.00 O ATOM 0 H GLU A 26 -10.851 -15.410 5.513 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.549 -12.696 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.677 -14.806 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.429 -13.254 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.571 -13.830 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.867 -15.398 4.466 1.00 0.00 H new ATOM 420 N GLU A 27 -10.201 -13.459 7.938 1.00 0.00 N ATOM 421 CA GLU A 27 -9.597 -12.882 9.126 1.00 0.00 C ATOM 422 C GLU A 27 -8.394 -12.051 8.729 1.00 0.00 C ATOM 423 O GLU A 27 -8.238 -10.946 9.238 1.00 0.00 O ATOM 424 CB GLU A 27 -9.087 -13.957 10.077 1.00 0.00 C ATOM 425 CG GLU A 27 -10.125 -14.977 10.522 1.00 0.00 C ATOM 426 CD GLU A 27 -9.431 -16.061 11.345 1.00 0.00 C ATOM 427 OE1 GLU A 27 -8.290 -16.475 11.014 1.00 0.00 O ATOM 428 OE2 GLU A 27 -9.998 -16.510 12.368 1.00 0.00 O ATOM 0 H GLU A 27 -10.097 -14.471 7.866 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.365 -12.285 9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.265 -14.486 9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.677 -13.471 10.962 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.900 -14.492 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.616 -15.418 9.655 1.00 0.00 H new ATOM 435 N ARG A 28 -7.530 -12.568 7.842 1.00 0.00 N ATOM 436 CA ARG A 28 -6.360 -11.790 7.426 1.00 0.00 C ATOM 437 C ARG A 28 -6.799 -10.494 6.759 1.00 0.00 C ATOM 438 O ARG A 28 -6.264 -9.439 7.102 1.00 0.00 O ATOM 439 CB ARG A 28 -5.410 -12.608 6.540 1.00 0.00 C ATOM 440 CG ARG A 28 -4.553 -13.518 7.430 1.00 0.00 C ATOM 441 CD ARG A 28 -3.467 -14.261 6.650 1.00 0.00 C ATOM 442 NE ARG A 28 -4.006 -15.414 5.910 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.380 -16.083 4.938 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.199 -15.669 4.493 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.954 -17.165 4.429 1.00 0.00 N ATOM 0 H ARG A 28 -7.615 -13.489 7.413 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.789 -11.531 8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.980 -13.206 5.829 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.772 -11.943 5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.086 -12.918 8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.197 -14.243 7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.989 -13.574 5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.695 -14.602 7.340 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.942 -15.731 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.766 -14.837 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.725 -16.183 3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.860 -17.475 4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.489 -17.687 3.686 1.00 0.00 H new ATOM 459 N ALA A 29 -7.801 -10.545 5.879 1.00 0.00 N ATOM 460 CA ALA A 29 -8.340 -9.356 5.247 1.00 0.00 C ATOM 461 C ALA A 29 -8.852 -8.365 6.298 1.00 0.00 C ATOM 462 O ALA A 29 -8.537 -7.181 6.217 1.00 0.00 O ATOM 463 CB ALA A 29 -9.444 -9.763 4.272 1.00 0.00 C ATOM 0 H ALA A 29 -8.255 -11.412 5.590 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.551 -8.850 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.853 -8.873 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.032 -10.427 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.236 -10.280 4.814 1.00 0.00 H new ATOM 469 N MET A 30 -9.598 -8.829 7.306 1.00 0.00 N ATOM 470 CA MET A 30 -10.115 -7.958 8.360 1.00 0.00 C ATOM 471 C MET A 30 -9.014 -7.407 9.267 1.00 0.00 C ATOM 472 O MET A 30 -9.070 -6.231 9.626 1.00 0.00 O ATOM 473 CB MET A 30 -11.203 -8.676 9.164 1.00 0.00 C ATOM 474 CG MET A 30 -12.499 -8.857 8.360 1.00 0.00 C ATOM 475 SD MET A 30 -13.353 -7.336 7.836 1.00 0.00 S ATOM 476 CE MET A 30 -12.633 -7.029 6.194 1.00 0.00 C ATOM 0 H MET A 30 -9.857 -9.810 7.412 1.00 0.00 H new ATOM 0 HA MET A 30 -10.562 -7.092 7.872 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.834 -9.652 9.479 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.416 -8.108 10.070 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.269 -9.442 7.470 1.00 0.00 H new ATOM 0 HG3 MET A 30 -13.192 -9.448 8.959 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.405 -6.653 5.523 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.835 -6.291 6.279 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.227 -7.959 5.795 1.00 0.00 H new ATOM 486 N GLY A 31 -8.001 -8.205 9.609 1.00 0.00 N ATOM 487 CA GLY A 31 -6.875 -7.762 10.417 1.00 0.00 C ATOM 488 C GLY A 31 -6.165 -6.605 9.724 1.00 0.00 C ATOM 489 O GLY A 31 -5.977 -5.545 10.326 1.00 0.00 O ATOM 0 H GLY A 31 -7.943 -9.184 9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.223 -7.450 11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.180 -8.587 10.572 1.00 0.00 H new ATOM 493 N TRP A 32 -5.864 -6.773 8.431 1.00 0.00 N ATOM 494 CA TRP A 32 -5.344 -5.698 7.604 1.00 0.00 C ATOM 495 C TRP A 32 -6.302 -4.507 7.592 1.00 0.00 C ATOM 496 O TRP A 32 -5.865 -3.390 7.858 1.00 0.00 O ATOM 497 CB TRP A 32 -5.081 -6.206 6.180 1.00 0.00 C ATOM 498 CG TRP A 32 -3.773 -6.910 6.006 1.00 0.00 C ATOM 499 CD1 TRP A 32 -3.582 -8.222 5.750 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.444 -6.318 6.037 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.232 -8.480 5.609 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.481 -7.334 5.772 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.966 -5.007 6.229 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.109 -7.054 5.706 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.594 -4.714 6.156 1.00 0.00 C ATOM 506 CH2 TRP A 32 0.335 -5.734 5.890 1.00 0.00 C ATOM 0 H TRP A 32 -5.977 -7.658 7.937 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.399 -5.359 8.030 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.885 -6.884 5.895 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.119 -5.361 5.493 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.367 -8.959 5.668 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.840 -9.401 5.410 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.667 -4.212 6.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.600 -7.846 5.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.252 -3.701 6.305 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.388 -5.504 5.827 1.00 0.00 H new ATOM 517 N TYR A 33 -7.590 -4.734 7.319 1.00 0.00 N ATOM 518 CA TYR A 33 -8.563 -3.671 7.113 1.00 0.00 C ATOM 519 C TYR A 33 -8.648 -2.744 8.321 1.00 0.00 C ATOM 520 O TYR A 33 -8.469 -1.533 8.180 1.00 0.00 O ATOM 521 CB TYR A 33 -9.942 -4.273 6.810 1.00 0.00 C ATOM 522 CG TYR A 33 -11.059 -3.251 6.786 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.071 -2.263 5.790 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.047 -3.246 7.788 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.080 -1.288 5.769 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.051 -2.262 7.783 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.089 -1.290 6.756 1.00 0.00 C ATOM 528 OH TYR A 33 -14.092 -0.368 6.725 1.00 0.00 O ATOM 0 H TYR A 33 -7.985 -5.671 7.235 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.233 -3.076 6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.904 -4.780 5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.171 -5.031 7.559 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.299 -2.253 5.035 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.034 -3.999 8.562 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.085 -0.534 4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -13.795 -2.248 8.565 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.259 -0.097 5.798 1.00 0.00 H new ATOM 538 N TYR A 34 -8.913 -3.293 9.508 1.00 0.00 N ATOM 539 CA TYR A 34 -9.164 -2.469 10.679 1.00 0.00 C ATOM 540 C TYR A 34 -7.879 -1.797 11.162 1.00 0.00 C ATOM 541 O TYR A 34 -7.940 -0.673 11.657 1.00 0.00 O ATOM 542 CB TYR A 34 -9.818 -3.302 11.785 1.00 0.00 C ATOM 543 CG TYR A 34 -11.226 -3.783 11.464 1.00 0.00 C ATOM 544 CD1 TYR A 34 -12.270 -2.854 11.280 1.00 0.00 C ATOM 545 CD2 TYR A 34 -11.504 -5.161 11.378 1.00 0.00 C ATOM 546 CE1 TYR A 34 -13.589 -3.295 11.067 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.816 -5.610 11.143 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.868 -4.679 10.995 1.00 0.00 C ATOM 549 OH TYR A 34 -15.139 -5.124 10.783 1.00 0.00 O ATOM 0 H TYR A 34 -8.958 -4.298 9.678 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.858 -1.675 10.404 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.189 -4.169 11.990 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.850 -2.709 12.699 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.056 -1.796 11.303 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.704 -5.878 11.493 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.388 -2.576 10.959 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.020 -6.669 11.076 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.143 -6.104 10.762 1.00 0.00 H new ATOM 559 N TYR A 35 -6.715 -2.435 10.999 1.00 0.00 N ATOM 560 CA TYR A 35 -5.440 -1.823 11.351 1.00 0.00 C ATOM 561 C TYR A 35 -5.111 -0.671 10.396 1.00 0.00 C ATOM 562 O TYR A 35 -4.638 0.378 10.840 1.00 0.00 O ATOM 563 CB TYR A 35 -4.360 -2.909 11.301 1.00 0.00 C ATOM 564 CG TYR A 35 -3.002 -2.496 11.826 1.00 0.00 C ATOM 565 CD1 TYR A 35 -2.048 -1.923 10.963 1.00 0.00 C ATOM 566 CD2 TYR A 35 -2.675 -2.734 13.174 1.00 0.00 C ATOM 567 CE1 TYR A 35 -0.763 -1.610 11.437 1.00 0.00 C ATOM 568 CE2 TYR A 35 -1.389 -2.434 13.652 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.419 -1.886 12.781 1.00 0.00 C ATOM 570 OH TYR A 35 0.848 -1.646 13.215 1.00 0.00 O ATOM 0 H TYR A 35 -6.635 -3.380 10.623 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.490 -1.402 12.355 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.706 -3.769 11.874 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.247 -3.238 10.268 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.305 -1.723 9.933 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.415 -3.148 13.843 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.038 -1.159 10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.141 -2.622 14.686 1.00 0.00 H new ATOM 0 HH TYR A 35 0.921 -1.888 14.162 1.00 0.00 H new ATOM 580 N LEU A 36 -5.379 -0.833 9.094 1.00 0.00 N ATOM 581 CA LEU A 36 -5.159 0.213 8.108 1.00 0.00 C ATOM 582 C LEU A 36 -6.110 1.365 8.362 1.00 0.00 C ATOM 583 O LEU A 36 -5.610 2.486 8.428 1.00 0.00 O ATOM 584 CB LEU A 36 -5.298 -0.315 6.671 1.00 0.00 C ATOM 585 CG LEU A 36 -3.945 -0.653 6.017 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.993 -1.477 6.893 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.204 -1.407 4.710 1.00 0.00 C ATOM 0 H LEU A 36 -5.755 -1.697 8.702 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.134 0.570 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.924 -1.207 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.812 0.431 6.064 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.443 0.300 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.068 -1.665 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.770 -0.926 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.463 -2.427 7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.253 -1.652 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.751 -2.325 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.792 -0.781 4.039 1.00 0.00 H new ATOM 599 N ASP A 37 -7.414 1.125 8.590 1.00 0.00 N ATOM 600 CA ASP A 37 -8.299 2.214 9.006 1.00 0.00 C ATOM 601 C ASP A 37 -7.694 2.869 10.199 1.00 0.00 C ATOM 602 O ASP A 37 -7.583 4.098 10.199 1.00 0.00 O ATOM 603 CB ASP A 37 -9.728 1.814 9.437 1.00 0.00 C ATOM 604 CG ASP A 37 -10.561 2.973 10.097 1.00 0.00 C ATOM 605 OD1 ASP A 37 -10.128 3.709 11.033 1.00 0.00 O ATOM 606 OD2 ASP A 37 -11.736 3.112 9.694 1.00 0.00 O ATOM 0 H ASP A 37 -7.863 0.214 8.496 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.395 2.841 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.268 1.448 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.662 0.985 10.141 1.00 0.00 H new ATOM 611 N ASP A 38 -7.296 2.096 11.219 1.00 0.00 N ATOM 612 CA ASP A 38 -6.970 2.800 12.425 1.00 0.00 C ATOM 613 C ASP A 38 -5.773 3.726 12.263 1.00 0.00 C ATOM 614 O ASP A 38 -5.798 4.836 12.799 1.00 0.00 O ATOM 615 CB ASP A 38 -6.985 2.009 13.722 1.00 0.00 C ATOM 616 CG ASP A 38 -7.249 3.040 14.856 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.939 4.074 14.611 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.779 2.816 15.994 1.00 0.00 O ATOM 0 H ASP A 38 -7.203 1.080 11.226 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.840 3.439 12.574 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.762 1.244 13.703 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.036 1.496 13.876 1.00 0.00 H new ATOM 623 N THR A 39 -4.845 3.347 11.388 1.00 0.00 N ATOM 624 CA THR A 39 -3.625 4.086 11.150 1.00 0.00 C ATOM 625 C THR A 39 -3.934 5.341 10.317 1.00 0.00 C ATOM 626 O THR A 39 -3.439 6.427 10.621 1.00 0.00 O ATOM 627 CB THR A 39 -2.644 3.125 10.457 1.00 0.00 C ATOM 628 OG1 THR A 39 -2.436 1.960 11.234 1.00 0.00 O ATOM 629 CG2 THR A 39 -1.298 3.799 10.237 1.00 0.00 C ATOM 0 H THR A 39 -4.928 2.504 10.820 1.00 0.00 H new ATOM 0 HA THR A 39 -3.171 4.443 12.074 1.00 0.00 H new ATOM 0 HB THR A 39 -3.086 2.851 9.499 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.256 1.424 11.246 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.618 3.103 9.746 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.431 4.680 9.609 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.879 4.098 11.198 1.00 0.00 H new ATOM 637 N LEU A 40 -4.769 5.201 9.285 1.00 0.00 N ATOM 638 CA LEU A 40 -5.243 6.306 8.461 1.00 0.00 C ATOM 639 C LEU A 40 -6.131 7.240 9.294 1.00 0.00 C ATOM 640 O LEU A 40 -6.887 6.806 10.174 1.00 0.00 O ATOM 641 CB LEU A 40 -6.060 5.766 7.270 1.00 0.00 C ATOM 642 CG LEU A 40 -5.302 4.817 6.318 1.00 0.00 C ATOM 643 CD1 LEU A 40 -6.299 4.022 5.467 1.00 0.00 C ATOM 644 CD2 LEU A 40 -4.337 5.532 5.376 1.00 0.00 C ATOM 0 H LEU A 40 -5.140 4.296 8.996 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.379 6.857 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.932 5.241 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.429 6.613 6.692 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.712 4.163 6.961 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.755 3.355 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.946 3.435 6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.905 4.711 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.842 4.800 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.890 6.238 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.590 6.069 5.960 1.00 0.00 H new ATOM 656 N GLU A 41 -6.116 8.521 8.936 1.00 0.00 N ATOM 657 CA GLU A 41 -6.986 9.560 9.482 1.00 0.00 C ATOM 658 C GLU A 41 -7.658 10.285 8.305 1.00 0.00 C ATOM 659 O GLU A 41 -7.558 11.504 8.150 1.00 0.00 O ATOM 660 CB GLU A 41 -6.182 10.477 10.423 1.00 0.00 C ATOM 661 CG GLU A 41 -5.736 9.764 11.710 1.00 0.00 C ATOM 662 CD GLU A 41 -6.910 9.472 12.667 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.277 10.364 13.467 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.473 8.351 12.649 1.00 0.00 O ATOM 0 H GLU A 41 -5.472 8.878 8.230 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.782 9.144 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.304 10.850 9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.789 11.344 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.244 8.827 11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.998 10.380 12.224 1.00 0.00 H new ATOM 671 N PHE A 42 -8.293 9.499 7.425 1.00 0.00 N ATOM 672 CA PHE A 42 -9.063 9.991 6.284 1.00 0.00 C ATOM 673 C PHE A 42 -10.223 10.914 6.726 1.00 0.00 C ATOM 674 O PHE A 42 -10.661 10.811 7.878 1.00 0.00 O ATOM 675 CB PHE A 42 -9.529 8.790 5.435 1.00 0.00 C ATOM 676 CG PHE A 42 -10.294 7.683 6.139 1.00 0.00 C ATOM 677 CD1 PHE A 42 -11.625 7.887 6.552 1.00 0.00 C ATOM 678 CD2 PHE A 42 -9.717 6.402 6.260 1.00 0.00 C ATOM 679 CE1 PHE A 42 -12.366 6.825 7.096 1.00 0.00 C ATOM 680 CE2 PHE A 42 -10.458 5.341 6.809 1.00 0.00 C ATOM 681 CZ PHE A 42 -11.784 5.552 7.224 1.00 0.00 C ATOM 0 H PHE A 42 -8.283 8.481 7.492 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.427 10.618 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -10.157 9.172 4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.649 8.346 4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.077 8.863 6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.702 6.235 5.930 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -13.385 6.987 7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.009 4.364 6.912 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.356 4.736 7.641 1.00 0.00 H new ATOM 691 N PRO A 43 -10.769 11.787 5.850 1.00 0.00 N ATOM 692 CA PRO A 43 -10.404 11.989 4.446 1.00 0.00 C ATOM 693 C PRO A 43 -9.004 12.594 4.278 1.00 0.00 C ATOM 694 O PRO A 43 -8.515 13.297 5.165 1.00 0.00 O ATOM 695 CB PRO A 43 -11.485 12.907 3.864 1.00 0.00 C ATOM 696 CG PRO A 43 -11.969 13.701 5.074 1.00 0.00 C ATOM 697 CD PRO A 43 -11.859 12.685 6.209 1.00 0.00 C ATOM 0 HA PRO A 43 -10.357 11.034 3.922 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.082 13.561 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.294 12.336 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.350 14.580 5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.992 14.053 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.657 13.182 7.158 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.792 12.135 6.330 1.00 0.00 H new ATOM 705 N PHE A 44 -8.360 12.314 3.141 1.00 0.00 N ATOM 706 CA PHE A 44 -7.027 12.813 2.802 1.00 0.00 C ATOM 707 C PHE A 44 -6.884 12.904 1.276 1.00 0.00 C ATOM 708 O PHE A 44 -7.730 12.388 0.553 1.00 0.00 O ATOM 709 CB PHE A 44 -5.945 11.923 3.443 1.00 0.00 C ATOM 710 CG PHE A 44 -5.787 10.511 2.894 1.00 0.00 C ATOM 711 CD1 PHE A 44 -5.002 10.277 1.751 1.00 0.00 C ATOM 712 CD2 PHE A 44 -6.364 9.416 3.557 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.823 8.977 1.253 1.00 0.00 C ATOM 714 CE2 PHE A 44 -6.205 8.111 3.056 1.00 0.00 C ATOM 715 CZ PHE A 44 -5.435 7.890 1.901 1.00 0.00 C ATOM 0 H PHE A 44 -8.762 11.720 2.415 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.892 13.816 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.987 12.433 3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.158 11.849 4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.530 11.109 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.935 9.577 4.460 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.217 8.812 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.675 7.279 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.314 6.889 1.513 1.00 0.00 H new ATOM 725 N MET A 45 -5.844 13.564 0.760 1.00 0.00 N ATOM 726 CA MET A 45 -5.638 13.742 -0.681 1.00 0.00 C ATOM 727 C MET A 45 -4.643 12.699 -1.200 1.00 0.00 C ATOM 728 O MET A 45 -3.668 12.395 -0.510 1.00 0.00 O ATOM 729 CB MET A 45 -5.097 15.163 -0.900 1.00 0.00 C ATOM 730 CG MET A 45 -4.927 15.504 -2.380 1.00 0.00 C ATOM 731 SD MET A 45 -4.192 17.131 -2.667 1.00 0.00 S ATOM 732 CE MET A 45 -4.141 17.049 -4.471 1.00 0.00 C ATOM 0 H MET A 45 -5.117 13.993 1.333 1.00 0.00 H new ATOM 0 HA MET A 45 -6.573 13.609 -1.225 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.776 15.881 -0.441 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.137 15.264 -0.395 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.303 14.744 -2.850 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.901 15.463 -2.868 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.557 17.884 -4.857 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.680 16.111 -4.780 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.155 17.103 -4.866 1.00 0.00 H new ATOM 742 N GLY A 46 -4.805 12.195 -2.427 1.00 0.00 N ATOM 743 CA GLY A 46 -3.820 11.322 -3.035 1.00 0.00 C ATOM 744 C GLY A 46 -3.875 11.377 -4.552 1.00 0.00 C ATOM 745 O GLY A 46 -4.752 12.004 -5.148 1.00 0.00 O ATOM 0 H GLY A 46 -5.617 12.383 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.824 11.608 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.988 10.298 -2.702 1.00 0.00 H new ATOM 749 N LYS A 47 -2.909 10.723 -5.185 1.00 0.00 N ATOM 750 CA LYS A 47 -2.924 10.478 -6.618 1.00 0.00 C ATOM 751 C LYS A 47 -3.369 9.036 -6.808 1.00 0.00 C ATOM 752 O LYS A 47 -2.780 8.128 -6.217 1.00 0.00 O ATOM 753 CB LYS A 47 -1.520 10.689 -7.223 1.00 0.00 C ATOM 754 CG LYS A 47 -1.549 10.817 -8.756 1.00 0.00 C ATOM 755 CD LYS A 47 -2.075 12.178 -9.246 1.00 0.00 C ATOM 756 CE LYS A 47 -1.060 13.310 -9.023 1.00 0.00 C ATOM 757 NZ LYS A 47 -1.463 14.565 -9.706 1.00 0.00 N ATOM 0 H LYS A 47 -2.088 10.346 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.599 11.170 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.076 11.588 -6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.879 9.853 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.542 10.663 -9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.174 10.025 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.315 12.112 -10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.002 12.416 -8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.955 13.497 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.082 12.997 -9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.940 15.366 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.247 14.493 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.484 14.717 -9.579 1.00 0.00 H new ATOM 771 N TRP A 48 -4.408 8.818 -7.607 1.00 0.00 N ATOM 772 CA TRP A 48 -4.773 7.490 -8.052 1.00 0.00 C ATOM 773 C TRP A 48 -3.831 7.229 -9.224 1.00 0.00 C ATOM 774 O TRP A 48 -3.983 7.826 -10.293 1.00 0.00 O ATOM 775 CB TRP A 48 -6.258 7.430 -8.454 1.00 0.00 C ATOM 776 CG TRP A 48 -6.794 6.083 -8.854 1.00 0.00 C ATOM 777 CD1 TRP A 48 -6.103 4.923 -8.885 1.00 0.00 C ATOM 778 CD2 TRP A 48 -8.139 5.728 -9.303 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.903 3.890 -9.314 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.178 4.328 -9.592 1.00 0.00 C ATOM 781 CE3 TRP A 48 -9.332 6.454 -9.502 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.336 3.686 -10.057 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.497 5.821 -9.973 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.504 4.442 -10.250 1.00 0.00 C ATOM 0 H TRP A 48 -5.015 9.558 -7.960 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.671 6.730 -7.277 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.852 7.798 -7.618 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.414 8.119 -9.284 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.064 4.821 -8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.592 2.924 -9.413 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.351 7.513 -9.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.329 2.626 -10.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.396 6.400 -10.124 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.404 3.966 -10.610 1.00 0.00 H new ATOM 795 N LYS A 49 -2.821 6.386 -9.015 1.00 0.00 N ATOM 796 CA LYS A 49 -1.957 5.861 -10.064 1.00 0.00 C ATOM 797 C LYS A 49 -2.723 4.717 -10.730 1.00 0.00 C ATOM 798 O LYS A 49 -2.405 3.545 -10.530 1.00 0.00 O ATOM 799 CB LYS A 49 -0.619 5.419 -9.442 1.00 0.00 C ATOM 800 CG LYS A 49 0.335 6.611 -9.308 1.00 0.00 C ATOM 801 CD LYS A 49 1.669 6.198 -8.675 1.00 0.00 C ATOM 802 CE LYS A 49 2.719 7.276 -8.965 1.00 0.00 C ATOM 803 NZ LYS A 49 4.002 7.013 -8.271 1.00 0.00 N ATOM 0 H LYS A 49 -2.577 6.042 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.709 6.604 -10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.796 4.977 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.161 4.648 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.517 7.044 -10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.133 7.385 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.550 6.069 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.995 5.239 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.894 7.330 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.334 8.248 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.711 7.710 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.862 7.088 -7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.334 6.056 -8.506 1.00 0.00 H new ATOM 817 N LYS A 50 -3.811 5.060 -11.419 1.00 0.00 N ATOM 818 CA LYS A 50 -4.736 4.101 -11.994 1.00 0.00 C ATOM 819 C LYS A 50 -3.991 3.202 -12.973 1.00 0.00 C ATOM 820 O LYS A 50 -3.527 3.682 -14.007 1.00 0.00 O ATOM 821 CB LYS A 50 -5.920 4.827 -12.646 1.00 0.00 C ATOM 822 CG LYS A 50 -6.981 3.817 -13.107 1.00 0.00 C ATOM 823 CD LYS A 50 -8.124 4.503 -13.860 1.00 0.00 C ATOM 824 CE LYS A 50 -9.052 3.433 -14.448 1.00 0.00 C ATOM 825 NZ LYS A 50 -10.134 4.016 -15.280 1.00 0.00 N ATOM 0 H LYS A 50 -4.073 6.030 -11.593 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.150 3.466 -11.211 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.360 5.528 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.572 5.412 -13.497 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.517 3.070 -13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.381 3.288 -12.242 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.681 5.154 -13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.725 5.133 -14.655 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.466 2.740 -15.052 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.493 2.854 -13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.734 3.253 -15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.711 4.657 -14.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.716 4.547 -16.070 1.00 0.00 H new ATOM 976 N GLU A 59 -1.823 5.447 -15.414 1.00 0.00 N ATOM 977 CA GLU A 59 -2.461 6.732 -15.641 1.00 0.00 C ATOM 978 C GLU A 59 -2.490 7.409 -14.261 1.00 0.00 C ATOM 979 O GLU A 59 -2.429 6.730 -13.232 1.00 0.00 O ATOM 980 CB GLU A 59 -3.887 6.545 -16.183 1.00 0.00 C ATOM 981 CG GLU A 59 -3.950 5.939 -17.596 1.00 0.00 C ATOM 982 CD GLU A 59 -5.386 5.987 -18.149 1.00 0.00 C ATOM 983 OE1 GLU A 59 -6.312 5.445 -17.503 1.00 0.00 O ATOM 984 OE2 GLU A 59 -5.598 6.561 -19.242 1.00 0.00 O ATOM 0 HA GLU A 59 -1.926 7.329 -16.380 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.442 5.903 -15.499 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.390 7.512 -16.192 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.281 6.486 -18.261 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.600 4.907 -17.570 1.00 0.00 H new ATOM 991 N GLU A 60 -2.582 8.736 -14.200 1.00 0.00 N ATOM 992 CA GLU A 60 -2.535 9.472 -12.938 1.00 0.00 C ATOM 993 C GLU A 60 -3.717 10.432 -12.870 1.00 0.00 C ATOM 994 O GLU A 60 -3.929 11.220 -13.797 1.00 0.00 O ATOM 995 CB GLU A 60 -1.196 10.213 -12.812 1.00 0.00 C ATOM 996 CG GLU A 60 -0.034 9.229 -12.648 1.00 0.00 C ATOM 997 CD GLU A 60 1.307 9.956 -12.449 1.00 0.00 C ATOM 998 OE1 GLU A 60 1.961 10.323 -13.453 1.00 0.00 O ATOM 999 OE2 GLU A 60 1.728 10.157 -11.288 1.00 0.00 O ATOM 0 H GLU A 60 -2.691 9.330 -15.022 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.608 8.779 -12.100 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.033 10.829 -13.697 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.229 10.887 -11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.226 8.580 -11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.027 8.589 -13.528 1.00 0.00 H new ATOM 1006 N LYS A 61 -4.475 10.383 -11.769 1.00 0.00 N ATOM 1007 CA LYS A 61 -5.615 11.269 -11.535 1.00 0.00 C ATOM 1008 C LYS A 61 -5.578 11.726 -10.084 1.00 0.00 C ATOM 1009 O LYS A 61 -5.417 10.903 -9.184 1.00 0.00 O ATOM 1010 CB LYS A 61 -6.911 10.515 -11.885 1.00 0.00 C ATOM 1011 CG LYS A 61 -8.165 11.395 -11.746 1.00 0.00 C ATOM 1012 CD LYS A 61 -9.400 10.784 -12.429 1.00 0.00 C ATOM 1013 CE LYS A 61 -9.829 9.441 -11.815 1.00 0.00 C ATOM 1014 NZ LYS A 61 -10.974 8.840 -12.551 1.00 0.00 N ATOM 0 H LYS A 61 -4.311 9.721 -11.011 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.573 12.156 -12.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.845 10.142 -12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.008 9.646 -11.234 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.379 11.550 -10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.965 12.376 -12.177 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.229 11.488 -12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.188 10.641 -13.488 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.986 8.750 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.105 9.590 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.826 7.815 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.855 9.015 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.043 9.269 -13.496 1.00 0.00 H new ATOM 1028 N THR A 62 -5.670 13.027 -9.844 1.00 0.00 N ATOM 1029 CA THR A 62 -5.649 13.598 -8.504 1.00 0.00 C ATOM 1030 C THR A 62 -7.019 13.377 -7.860 1.00 0.00 C ATOM 1031 O THR A 62 -8.040 13.699 -8.473 1.00 0.00 O ATOM 1032 CB THR A 62 -5.296 15.087 -8.624 1.00 0.00 C ATOM 1033 OG1 THR A 62 -4.226 15.260 -9.540 1.00 0.00 O ATOM 1034 CG2 THR A 62 -4.837 15.647 -7.285 1.00 0.00 C ATOM 0 H THR A 62 -5.762 13.724 -10.583 1.00 0.00 H new ATOM 0 HA THR A 62 -4.902 13.121 -7.870 1.00 0.00 H new ATOM 0 HB THR A 62 -6.191 15.608 -8.963 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.008 16.213 -9.612 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.593 16.703 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.635 15.535 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.954 15.104 -6.947 1.00 0.00 H new ATOM 1042 N VAL A 63 -7.063 12.843 -6.637 1.00 0.00 N ATOM 1043 CA VAL A 63 -8.305 12.444 -5.994 1.00 0.00 C ATOM 1044 C VAL A 63 -8.263 12.771 -4.499 1.00 0.00 C ATOM 1045 O VAL A 63 -7.207 12.863 -3.873 1.00 0.00 O ATOM 1046 CB VAL A 63 -8.603 10.943 -6.227 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -8.771 10.568 -7.708 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -7.548 10.003 -5.620 1.00 0.00 C ATOM 0 H VAL A 63 -6.233 12.677 -6.068 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.118 13.012 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.552 10.802 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.977 9.501 -7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.600 11.133 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.855 10.804 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.823 8.968 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.575 10.213 -6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.497 10.160 -4.543 1.00 0.00 H new ATOM 1058 N GLU A 64 -9.443 12.944 -3.923 1.00 0.00 N ATOM 1059 CA GLU A 64 -9.667 13.039 -2.494 1.00 0.00 C ATOM 1060 C GLU A 64 -10.108 11.637 -2.085 1.00 0.00 C ATOM 1061 O GLU A 64 -11.071 11.111 -2.637 1.00 0.00 O ATOM 1062 CB GLU A 64 -10.736 14.106 -2.207 1.00 0.00 C ATOM 1063 CG GLU A 64 -11.001 14.246 -0.701 1.00 0.00 C ATOM 1064 CD GLU A 64 -11.915 15.447 -0.400 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -13.152 15.336 -0.548 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -11.402 16.517 0.004 1.00 0.00 O ATOM 0 H GLU A 64 -10.304 13.025 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.786 13.347 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.412 15.065 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.662 13.841 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.462 13.333 -0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.055 14.366 -0.173 1.00 0.00 H new ATOM 1073 N VAL A 65 -9.387 11.007 -1.168 1.00 0.00 N ATOM 1074 CA VAL A 65 -9.743 9.739 -0.561 1.00 0.00 C ATOM 1075 C VAL A 65 -10.727 10.079 0.549 1.00 0.00 C ATOM 1076 O VAL A 65 -10.358 10.720 1.535 1.00 0.00 O ATOM 1077 CB VAL A 65 -8.484 9.021 -0.025 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -8.871 7.695 0.650 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -7.470 8.763 -1.154 1.00 0.00 C ATOM 0 H VAL A 65 -8.506 11.382 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.193 9.050 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.015 9.672 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.974 7.201 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.547 7.894 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.367 7.049 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.594 8.257 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.929 8.137 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.168 9.713 -1.596 1.00 0.00 H new ATOM 1089 N LEU A 66 -11.986 9.682 0.374 1.00 0.00 N ATOM 1090 CA LEU A 66 -13.030 9.896 1.367 1.00 0.00 C ATOM 1091 C LEU A 66 -12.787 8.977 2.561 1.00 0.00 C ATOM 1092 O LEU A 66 -13.008 9.385 3.701 1.00 0.00 O ATOM 1093 CB LEU A 66 -14.422 9.632 0.762 1.00 0.00 C ATOM 1094 CG LEU A 66 -14.992 10.740 -0.148 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -15.186 12.064 0.603 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -14.147 10.994 -1.401 1.00 0.00 C ATOM 0 H LEU A 66 -12.309 9.201 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.999 10.935 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.376 8.707 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.124 9.465 1.579 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.963 10.361 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.589 12.813 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.880 11.915 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.227 12.406 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.606 11.785 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.142 11.297 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.091 10.081 -1.994 1.00 0.00 H new ATOM 1108 N GLY A 67 -12.307 7.757 2.313 1.00 0.00 N ATOM 1109 CA GLY A 67 -11.951 6.798 3.330 1.00 0.00 C ATOM 1110 C GLY A 67 -11.784 5.434 2.689 1.00 0.00 C ATOM 1111 O GLY A 67 -11.912 5.284 1.471 1.00 0.00 O ATOM 0 H GLY A 67 -12.155 7.410 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.026 7.098 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.723 6.760 4.098 1.00 0.00 H new ATOM 1115 N MET A 68 -11.484 4.436 3.509 1.00 0.00 N ATOM 1116 CA MET A 68 -11.508 3.047 3.066 1.00 0.00 C ATOM 1117 C MET A 68 -12.936 2.667 2.665 1.00 0.00 C ATOM 1118 O MET A 68 -13.911 3.208 3.197 1.00 0.00 O ATOM 1119 CB MET A 68 -10.958 2.103 4.137 1.00 0.00 C ATOM 1120 CG MET A 68 -9.468 2.354 4.390 1.00 0.00 C ATOM 1121 SD MET A 68 -8.725 1.192 5.559 1.00 0.00 S ATOM 1122 CE MET A 68 -8.460 -0.244 4.491 1.00 0.00 C ATOM 0 H MET A 68 -11.221 4.562 4.486 1.00 0.00 H new ATOM 0 HA MET A 68 -10.857 2.945 2.198 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.514 2.239 5.065 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.107 1.069 3.825 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.932 2.295 3.442 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.338 3.368 4.767 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.055 -1.066 5.081 1.00 0.00 H new ATOM 0 HE2 MET A 68 -9.408 -0.548 4.048 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.757 0.016 3.700 1.00 0.00 H new ATOM 1132 N ALA A 69 -13.045 1.727 1.727 1.00 0.00 N ATOM 1133 CA ALA A 69 -14.313 1.125 1.341 1.00 0.00 C ATOM 1134 C ALA A 69 -14.921 0.353 2.532 1.00 0.00 C ATOM 1135 O ALA A 69 -14.216 0.100 3.517 1.00 0.00 O ATOM 1136 CB ALA A 69 -14.064 0.212 0.135 1.00 0.00 C ATOM 0 H ALA A 69 -12.245 1.361 1.211 1.00 0.00 H new ATOM 0 HA ALA A 69 -15.033 1.893 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.002 -0.250 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.663 0.800 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.349 -0.564 0.408 1.00 0.00 H new ATOM 1142 N PRO A 70 -16.206 -0.043 2.464 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.818 -0.916 3.458 1.00 0.00 C ATOM 1144 C PRO A 70 -16.006 -2.191 3.698 1.00 0.00 C ATOM 1145 O PRO A 70 -15.320 -2.693 2.800 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.214 -1.246 2.918 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.545 -0.040 2.043 1.00 0.00 C ATOM 1148 CD PRO A 70 -17.186 0.324 1.450 1.00 0.00 C ATOM 0 HA PRO A 70 -16.862 -0.419 4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.215 -2.172 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.938 -1.370 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -19.272 -0.288 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.966 0.780 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.007 -0.214 0.519 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.131 1.388 1.219 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.165 -2.776 4.885 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.577 -4.070 5.226 1.00 0.00 C ATOM 1158 C ASP A 71 -16.041 -5.170 4.266 1.00 0.00 C ATOM 1159 O ASP A 71 -15.288 -6.100 3.999 1.00 0.00 O ATOM 1160 CB ASP A 71 -15.888 -4.459 6.677 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.296 -5.053 6.857 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.281 -4.281 6.838 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -17.427 -6.282 7.048 1.00 0.00 O ATOM 0 H ASP A 71 -16.709 -2.362 5.642 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.497 -3.967 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.149 -5.184 7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.788 -3.579 7.312 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.243 -5.040 3.693 1.00 0.00 N ATOM 1169 CA ASP A 72 -17.782 -5.990 2.720 1.00 0.00 C ATOM 1170 C ASP A 72 -16.931 -6.050 1.448 1.00 0.00 C ATOM 1171 O ASP A 72 -16.787 -7.112 0.842 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.223 -5.611 2.364 1.00 0.00 C ATOM 1173 CG ASP A 72 -19.814 -6.583 1.329 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.104 -7.747 1.685 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.041 -6.174 0.168 1.00 0.00 O ATOM 0 H ASP A 72 -17.873 -4.264 3.895 1.00 0.00 H new ATOM 0 HA ASP A 72 -17.763 -6.979 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -19.837 -5.617 3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.248 -4.595 1.969 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.328 -4.922 1.064 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.377 -4.869 -0.040 1.00 0.00 C ATOM 1182 C GLU A 73 -14.009 -5.314 0.473 1.00 0.00 C ATOM 1183 O GLU A 73 -13.338 -6.135 -0.158 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.297 -3.443 -0.618 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.584 -2.968 -1.313 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.790 -3.600 -2.703 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -16.906 -4.842 -2.808 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -16.856 -2.853 -3.705 1.00 0.00 O ATOM 0 H GLU A 73 -16.488 -4.020 1.513 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.706 -5.534 -0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.056 -2.750 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.475 -3.399 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.440 -3.207 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.556 -1.883 -1.415 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.613 -4.824 1.652 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.276 -5.030 2.190 1.00 0.00 C ATOM 1197 C CYS A 74 -12.013 -6.449 2.712 1.00 0.00 C ATOM 1198 O CYS A 74 -10.957 -6.707 3.285 1.00 0.00 O ATOM 1199 CB CYS A 74 -11.931 -3.948 3.211 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.039 -2.316 2.415 1.00 0.00 S ATOM 0 H CYS A 74 -14.219 -4.271 2.259 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.590 -4.932 1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.616 -3.999 4.058 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.927 -4.109 3.603 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.114 -1.393 3.327 1.00 0.00 H new ATOM 1206 N LEU A 75 -12.951 -7.375 2.511 1.00 0.00 N ATOM 1207 CA LEU A 75 -12.770 -8.806 2.744 1.00 0.00 C ATOM 1208 C LEU A 75 -11.976 -9.435 1.595 1.00 0.00 C ATOM 1209 O LEU A 75 -11.459 -10.542 1.748 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.143 -9.497 2.854 1.00 0.00 C ATOM 1211 CG LEU A 75 -14.729 -9.462 4.278 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -16.229 -9.764 4.230 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.035 -10.477 5.197 1.00 0.00 C ATOM 0 H LEU A 75 -13.884 -7.142 2.172 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.219 -8.940 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.841 -9.015 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.047 -10.534 2.533 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.562 -8.464 4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.638 -9.738 5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.731 -9.017 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.387 -10.753 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.474 -10.425 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.167 -11.481 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.971 -10.246 5.256 1.00 0.00 H new ATOM 1225 N LYS A 76 -11.894 -8.757 0.445 1.00 0.00 N ATOM 1226 CA LYS A 76 -11.326 -9.309 -0.781 1.00 0.00 C ATOM 1227 C LYS A 76 -9.955 -8.698 -1.041 1.00 0.00 C ATOM 1228 O LYS A 76 -9.023 -9.426 -1.384 1.00 0.00 O ATOM 1229 CB LYS A 76 -12.284 -9.024 -1.951 1.00 0.00 C ATOM 1230 CG LYS A 76 -13.631 -9.758 -1.800 1.00 0.00 C ATOM 1231 CD LYS A 76 -14.679 -9.303 -2.826 1.00 0.00 C ATOM 1232 CE LYS A 76 -15.188 -7.886 -2.511 1.00 0.00 C ATOM 1233 NZ LYS A 76 -16.236 -7.439 -3.459 1.00 0.00 N ATOM 0 H LYS A 76 -12.226 -7.798 0.343 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.201 -10.387 -0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.464 -7.951 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.812 -9.326 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.468 -10.831 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.018 -9.592 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.245 -9.322 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.516 -10.001 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.586 -7.863 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.352 -7.187 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.438 -6.431 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.904 -7.579 -4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.102 -7.993 -3.305 1.00 0.00 H new ATOM 1247 N ASP A 77 -9.822 -7.384 -0.860 1.00 0.00 N ATOM 1248 CA ASP A 77 -8.590 -6.618 -1.078 1.00 0.00 C ATOM 1249 C ASP A 77 -8.786 -5.239 -0.441 1.00 0.00 C ATOM 1250 O ASP A 77 -9.921 -4.890 -0.124 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.312 -6.473 -2.584 1.00 0.00 C ATOM 1252 CG ASP A 77 -6.970 -5.790 -2.884 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.054 -5.864 -2.034 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.823 -5.226 -3.990 1.00 0.00 O ATOM 0 H ASP A 77 -10.597 -6.800 -0.546 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.738 -7.129 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.322 -7.460 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.116 -5.898 -3.043 1.00 0.00 H new ATOM 1259 N MET A 78 -7.737 -4.445 -0.223 1.00 0.00 N ATOM 1260 CA MET A 78 -7.892 -3.123 0.380 1.00 0.00 C ATOM 1261 C MET A 78 -8.355 -2.137 -0.692 1.00 0.00 C ATOM 1262 O MET A 78 -7.685 -1.958 -1.714 1.00 0.00 O ATOM 1263 CB MET A 78 -6.582 -2.641 1.017 1.00 0.00 C ATOM 1264 CG MET A 78 -6.126 -3.500 2.200 1.00 0.00 C ATOM 1265 SD MET A 78 -7.268 -3.616 3.611 1.00 0.00 S ATOM 1266 CE MET A 78 -7.973 -5.266 3.325 1.00 0.00 C ATOM 0 H MET A 78 -6.775 -4.694 -0.454 1.00 0.00 H new ATOM 0 HA MET A 78 -8.637 -3.185 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.799 -2.636 0.259 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.708 -1.612 1.353 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.933 -4.509 1.834 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.177 -3.105 2.562 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.499 -5.597 4.220 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.671 -5.224 2.489 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.172 -5.969 3.094 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.466 -1.445 -0.433 1.00 0.00 N ATOM 1277 CA TYR A 79 -10.064 -0.484 -1.351 1.00 0.00 C ATOM 1278 C TYR A 79 -10.391 0.804 -0.601 1.00 0.00 C ATOM 1279 O TYR A 79 -10.534 0.811 0.625 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.341 -1.054 -1.986 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.207 -2.316 -2.818 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -10.748 -2.253 -4.148 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.637 -3.547 -2.287 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -10.741 -3.410 -4.948 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.632 -4.708 -3.078 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.187 -4.643 -4.419 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.182 -5.754 -5.209 1.00 0.00 O ATOM 0 H TYR A 79 -9.983 -1.542 0.441 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.350 -0.274 -2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.054 -1.253 -1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.777 -0.280 -2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.401 -1.315 -4.554 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.974 -3.599 -1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.394 -3.356 -5.969 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.967 -5.647 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.516 -6.520 -4.698 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.538 1.889 -1.353 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.790 3.230 -0.857 1.00 0.00 C ATOM 1299 C VAL A 80 -11.826 3.887 -1.765 1.00 0.00 C ATOM 1300 O VAL A 80 -11.795 3.720 -2.985 1.00 0.00 O ATOM 1301 CB VAL A 80 -9.477 4.046 -0.792 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.705 3.788 0.508 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -8.521 3.795 -1.971 1.00 0.00 C ATOM 0 H VAL A 80 -10.482 1.852 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.180 3.191 0.160 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.810 5.083 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.790 4.381 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.323 4.070 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.452 2.730 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.626 4.405 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.242 2.742 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.017 4.061 -2.905 1.00 0.00 H new ATOM 1313 N GLU A 81 -12.757 4.620 -1.161 1.00 0.00 N ATOM 1314 CA GLU A 81 -13.681 5.478 -1.873 1.00 0.00 C ATOM 1315 C GLU A 81 -12.903 6.757 -2.157 1.00 0.00 C ATOM 1316 O GLU A 81 -12.330 7.348 -1.236 1.00 0.00 O ATOM 1317 CB GLU A 81 -14.925 5.767 -1.022 1.00 0.00 C ATOM 1318 CG GLU A 81 -15.797 4.516 -0.847 1.00 0.00 C ATOM 1319 CD GLU A 81 -17.100 4.839 -0.095 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -17.115 4.801 1.156 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -18.131 5.116 -0.749 1.00 0.00 O ATOM 0 H GLU A 81 -12.887 4.630 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.042 5.014 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -14.619 6.137 -0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.512 6.557 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.034 4.097 -1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -15.239 3.756 -0.301 1.00 0.00 H new ATOM 1328 N VAL A 82 -12.861 7.181 -3.416 1.00 0.00 N ATOM 1329 CA VAL A 82 -12.065 8.326 -3.841 1.00 0.00 C ATOM 1330 C VAL A 82 -12.903 9.155 -4.810 1.00 0.00 C ATOM 1331 O VAL A 82 -13.667 8.580 -5.581 1.00 0.00 O ATOM 1332 CB VAL A 82 -10.705 7.880 -4.438 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -9.947 6.903 -3.525 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -10.802 7.219 -5.823 1.00 0.00 C ATOM 0 H VAL A 82 -13.381 6.738 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.808 8.949 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.164 8.822 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.003 6.625 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.749 7.381 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.551 6.009 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.805 6.939 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.426 6.328 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.243 7.921 -6.531 1.00 0.00 H new ATOM 1344 N ALA A 83 -12.772 10.480 -4.803 1.00 0.00 N ATOM 1345 CA ALA A 83 -13.506 11.376 -5.689 1.00 0.00 C ATOM 1346 C ALA A 83 -12.514 12.282 -6.399 1.00 0.00 C ATOM 1347 O ALA A 83 -11.489 12.658 -5.831 1.00 0.00 O ATOM 1348 CB ALA A 83 -14.537 12.189 -4.902 1.00 0.00 C ATOM 0 H ALA A 83 -12.140 10.969 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.053 10.794 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.074 12.851 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.243 11.513 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.029 12.783 -4.142 1.00 0.00 H new ATOM 1354 N ASP A 84 -12.797 12.602 -7.655 1.00 0.00 N ATOM 1355 CA ASP A 84 -11.864 13.329 -8.508 1.00 0.00 C ATOM 1356 C ASP A 84 -11.687 14.784 -8.054 1.00 0.00 C ATOM 1357 O ASP A 84 -12.663 15.457 -7.714 1.00 0.00 O ATOM 1358 CB ASP A 84 -12.359 13.281 -9.955 1.00 0.00 C ATOM 1359 CG ASP A 84 -11.492 14.177 -10.830 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -10.283 13.901 -10.962 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -12.021 15.185 -11.336 1.00 0.00 O ATOM 0 H ASP A 84 -13.678 12.366 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.889 12.848 -8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -12.328 12.256 -10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.398 13.606 -10.004 1.00 0.00 H new ATOM 1366 N ILE A 85 -10.442 15.273 -8.095 1.00 0.00 N ATOM 1367 CA ILE A 85 -10.094 16.687 -7.908 1.00 0.00 C ATOM 1368 C ILE A 85 -9.636 17.291 -9.258 1.00 0.00 C ATOM 1369 O ILE A 85 -9.663 18.512 -9.420 1.00 0.00 O ATOM 1370 CB ILE A 85 -9.021 16.857 -6.794 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -9.343 16.082 -5.491 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -8.832 18.337 -6.402 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -8.204 16.123 -4.457 1.00 0.00 C ATOM 0 H ILE A 85 -9.628 14.682 -8.263 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.976 17.234 -7.574 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.114 16.447 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.245 16.498 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.561 15.043 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.075 18.413 -5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.512 18.907 -7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.775 18.739 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.497 15.561 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.306 15.680 -4.887 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.001 17.158 -4.180 1.00 0.00 H new ATOM 1457 N VAL A 92 -17.247 9.869 -7.977 1.00 0.00 N ATOM 1458 CA VAL A 92 -16.608 9.047 -6.961 1.00 0.00 C ATOM 1459 C VAL A 92 -16.443 7.614 -7.483 1.00 0.00 C ATOM 1460 O VAL A 92 -17.215 7.140 -8.323 1.00 0.00 O ATOM 1461 CB VAL A 92 -17.421 9.168 -5.652 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -18.846 8.598 -5.764 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -16.730 8.560 -4.423 1.00 0.00 C ATOM 0 HA VAL A 92 -15.598 9.389 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 92 -17.485 10.245 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -19.361 8.715 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -19.393 9.134 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -18.795 7.540 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -17.367 8.687 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.554 7.498 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.778 9.063 -4.255 1.00 0.00 H new ATOM 1473 N TYR A 93 -15.413 6.940 -6.979 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.909 5.660 -7.448 1.00 0.00 C ATOM 1475 C TYR A 93 -14.464 4.831 -6.239 1.00 0.00 C ATOM 1476 O TYR A 93 -14.343 5.358 -5.131 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.714 5.900 -8.393 1.00 0.00 C ATOM 1478 CG TYR A 93 -13.882 7.016 -9.416 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -13.554 8.341 -9.064 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -14.342 6.735 -10.716 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -13.713 9.385 -9.988 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -14.477 7.773 -11.658 1.00 0.00 C ATOM 1483 CZ TYR A 93 -14.173 9.105 -11.295 1.00 0.00 C ATOM 1484 OH TYR A 93 -14.272 10.099 -12.221 1.00 0.00 O ATOM 0 H TYR A 93 -14.879 7.297 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.688 5.123 -7.989 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.836 6.120 -7.786 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.508 4.973 -8.928 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.177 8.554 -8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.592 5.721 -10.992 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.484 10.401 -9.701 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.814 7.551 -12.660 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.604 9.728 -13.065 1.00 0.00 H new ATOM 1494 N THR A 94 -14.156 3.556 -6.475 1.00 0.00 N ATOM 1495 CA THR A 94 -13.703 2.616 -5.452 1.00 0.00 C ATOM 1496 C THR A 94 -12.348 2.050 -5.895 1.00 0.00 C ATOM 1497 O THR A 94 -12.254 0.938 -6.421 1.00 0.00 O ATOM 1498 CB THR A 94 -14.787 1.561 -5.150 1.00 0.00 C ATOM 1499 OG1 THR A 94 -16.062 2.170 -5.011 1.00 0.00 O ATOM 1500 CG2 THR A 94 -14.491 0.813 -3.846 1.00 0.00 C ATOM 0 H THR A 94 -14.216 3.139 -7.404 1.00 0.00 H new ATOM 0 HA THR A 94 -13.547 3.111 -4.494 1.00 0.00 H new ATOM 0 HB THR A 94 -14.785 0.865 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.734 1.482 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.274 0.077 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 94 -13.529 0.307 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 94 -14.459 1.522 -3.019 1.00 0.00 H new ATOM 1508 N ALA A 95 -11.305 2.877 -5.772 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.947 2.522 -6.167 1.00 0.00 C ATOM 1510 C ALA A 95 -9.372 1.481 -5.199 1.00 0.00 C ATOM 1511 O ALA A 95 -9.832 1.347 -4.062 1.00 0.00 O ATOM 1512 CB ALA A 95 -9.077 3.786 -6.191 1.00 0.00 C ATOM 0 H ALA A 95 -11.385 3.820 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.959 2.085 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.061 3.523 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.490 4.498 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.061 4.236 -5.198 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.336 0.754 -5.624 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.581 -0.099 -4.715 1.00 0.00 C ATOM 1520 C LYS A 96 -6.652 0.819 -3.939 1.00 0.00 C ATOM 1521 O LYS A 96 -6.072 1.735 -4.522 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.768 -1.190 -5.445 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.524 -1.940 -6.556 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.285 -1.335 -7.953 1.00 0.00 C ATOM 1525 CE LYS A 96 -8.210 -1.936 -9.022 1.00 0.00 C ATOM 1526 NZ LYS A 96 -7.933 -3.370 -9.300 1.00 0.00 N ATOM 0 H LYS A 96 -8.005 0.741 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.270 -0.636 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.881 -0.729 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.423 -1.916 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.213 -2.985 -6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.592 -1.926 -6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.439 -0.257 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.247 -1.498 -8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.245 -1.829 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.104 -1.367 -9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.590 -3.715 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.955 -3.476 -9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.061 -3.923 -8.429 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.435 0.540 -2.656 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.388 1.216 -1.888 1.00 0.00 C ATOM 1542 C LEU A 97 -4.027 0.950 -2.550 1.00 0.00 C ATOM 1543 O LEU A 97 -3.151 1.810 -2.547 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.408 0.722 -0.431 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.379 1.420 0.484 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.628 2.929 0.601 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.445 0.793 1.879 1.00 0.00 C ATOM 0 H LEU A 97 -6.969 -0.148 -2.125 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.565 2.291 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.406 0.875 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.219 -0.351 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.394 1.282 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.877 3.372 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.564 3.386 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.620 3.103 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.721 1.281 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.447 0.921 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.214 -0.270 1.811 1.00 0.00 H new ATOM 1559 N SER A 98 -3.887 -0.216 -3.188 1.00 0.00 N ATOM 1560 CA SER A 98 -2.729 -0.625 -3.973 1.00 0.00 C ATOM 1561 C SER A 98 -2.441 0.305 -5.163 1.00 0.00 C ATOM 1562 O SER A 98 -1.335 0.286 -5.701 1.00 0.00 O ATOM 1563 CB SER A 98 -3.004 -2.046 -4.481 1.00 0.00 C ATOM 1564 OG SER A 98 -3.498 -2.852 -3.423 1.00 0.00 O ATOM 0 H SER A 98 -4.615 -0.930 -3.167 1.00 0.00 H new ATOM 0 HA SER A 98 -1.845 -0.579 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.728 -2.016 -5.295 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.089 -2.481 -4.884 1.00 0.00 H new ATOM 0 HG SER A 98 -2.827 -3.525 -3.184 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.420 1.111 -5.582 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.361 1.947 -6.777 1.00 0.00 C ATOM 1572 C ASP A 99 -3.221 3.423 -6.387 1.00 0.00 C ATOM 1573 O ASP A 99 -3.271 4.300 -7.244 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.644 1.710 -7.603 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.413 1.292 -9.063 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -3.434 0.571 -9.359 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -5.296 1.598 -9.896 1.00 0.00 O ATOM 0 H ASP A 99 -4.303 1.200 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.491 1.683 -7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.237 0.939 -7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.238 2.624 -7.593 1.00 0.00 H new ATOM 1582 N ILE A 100 -3.064 3.720 -5.096 1.00 0.00 N ATOM 1583 CA ILE A 100 -3.124 5.062 -4.533 1.00 0.00 C ATOM 1584 C ILE A 100 -1.773 5.399 -3.917 1.00 0.00 C ATOM 1585 O ILE A 100 -1.062 4.541 -3.389 1.00 0.00 O ATOM 1586 CB ILE A 100 -4.313 5.133 -3.537 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -5.607 5.406 -4.333 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -4.157 6.113 -2.355 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.970 6.871 -4.569 1.00 0.00 C ATOM 0 H ILE A 100 -2.885 3.004 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.312 5.818 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.349 4.163 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.520 4.916 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.436 4.930 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.049 6.074 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.286 5.833 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.025 7.125 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.898 6.929 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.101 7.372 -3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.171 7.359 -5.127 1.00 0.00 H new ATOM 1601 N GLU A 101 -1.458 6.687 -3.966 1.00 0.00 N ATOM 1602 CA GLU A 101 -0.284 7.282 -3.350 1.00 0.00 C ATOM 1603 C GLU A 101 -0.769 8.548 -2.646 1.00 0.00 C ATOM 1604 O GLU A 101 -1.342 9.429 -3.285 1.00 0.00 O ATOM 1605 CB GLU A 101 0.768 7.564 -4.435 1.00 0.00 C ATOM 1606 CG GLU A 101 2.086 8.071 -3.837 1.00 0.00 C ATOM 1607 CD GLU A 101 3.128 8.349 -4.933 1.00 0.00 C ATOM 1608 OE1 GLU A 101 3.639 7.387 -5.550 1.00 0.00 O ATOM 1609 OE2 GLU A 101 3.456 9.532 -5.181 1.00 0.00 O ATOM 0 H GLU A 101 -2.037 7.370 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 101 0.196 6.627 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 101 0.955 6.654 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 101 0.379 8.304 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.902 8.982 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.479 7.332 -3.138 1.00 0.00 H new ATOM 1616 N ALA A 102 -0.612 8.621 -1.325 1.00 0.00 N ATOM 1617 CA ALA A 102 -1.111 9.744 -0.541 1.00 0.00 C ATOM 1618 C ALA A 102 -0.224 10.976 -0.758 1.00 0.00 C ATOM 1619 O ALA A 102 0.993 10.849 -0.918 1.00 0.00 O ATOM 1620 CB ALA A 102 -1.147 9.343 0.935 1.00 0.00 C ATOM 0 H ALA A 102 -0.138 7.906 -0.773 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.120 10.002 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.519 10.177 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.806 8.484 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.142 9.082 1.266 1.00 0.00 H new ATOM 1626 N ILE A 103 -0.828 12.165 -0.713 1.00 0.00 N ATOM 1627 CA ILE A 103 -0.161 13.446 -0.932 1.00 0.00 C ATOM 1628 C ILE A 103 -0.287 14.275 0.350 1.00 0.00 C ATOM 1629 O ILE A 103 -1.394 14.527 0.827 1.00 0.00 O ATOM 1630 CB ILE A 103 -0.781 14.178 -2.149 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -0.600 13.386 -3.466 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -0.168 15.583 -2.318 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -1.479 13.922 -4.605 1.00 0.00 C ATOM 0 H ILE A 103 -1.824 12.264 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 103 0.894 13.293 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.848 14.263 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.446 13.428 -3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.839 12.337 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.620 16.076 -3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.357 16.173 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.907 15.495 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.311 13.329 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.528 13.855 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.223 14.963 -4.804 1.00 0.00 H new ATOM 1645 N ASP A 104 0.861 14.749 0.849 1.00 0.00 N ATOM 1646 CA ASP A 104 0.992 15.717 1.946 1.00 0.00 C ATOM 1647 C ASP A 104 0.194 15.340 3.210 1.00 0.00 C ATOM 1648 O ASP A 104 -0.317 16.201 3.931 1.00 0.00 O ATOM 1649 CB ASP A 104 0.700 17.136 1.425 1.00 0.00 C ATOM 1650 CG ASP A 104 1.071 18.235 2.439 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.193 18.208 2.996 1.00 0.00 O ATOM 1652 OD2 ASP A 104 0.270 19.177 2.636 1.00 0.00 O ATOM 0 H ASP A 104 1.766 14.455 0.482 1.00 0.00 H new ATOM 0 HA ASP A 104 2.026 15.693 2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.254 17.299 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.359 17.217 1.180 1.00 0.00 H new ATOM 1657 N VAL A 105 0.047 14.037 3.467 1.00 0.00 N ATOM 1658 CA VAL A 105 -0.693 13.523 4.619 1.00 0.00 C ATOM 1659 C VAL A 105 0.174 13.521 5.885 1.00 0.00 C ATOM 1660 O VAL A 105 1.380 13.790 5.833 1.00 0.00 O ATOM 1661 CB VAL A 105 -1.281 12.133 4.304 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -2.268 12.228 3.141 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.223 11.067 3.992 1.00 0.00 C ATOM 0 H VAL A 105 0.442 13.305 2.876 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.530 14.192 4.821 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.790 11.812 5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.676 11.240 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.079 12.906 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.754 12.606 2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.715 10.117 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.359 11.375 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.439 10.950 4.850 1.00 0.00 H new ATOM 1673 N ASP A 106 -0.444 13.212 7.029 1.00 0.00 N ATOM 1674 CA ASP A 106 0.278 13.005 8.283 1.00 0.00 C ATOM 1675 C ASP A 106 1.064 11.695 8.223 1.00 0.00 C ATOM 1676 O ASP A 106 0.807 10.821 7.390 1.00 0.00 O ATOM 1677 CB ASP A 106 -0.677 12.983 9.485 1.00 0.00 C ATOM 1678 CG ASP A 106 0.022 13.129 10.851 1.00 0.00 C ATOM 1679 OD1 ASP A 106 1.173 13.616 10.916 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -0.593 12.763 11.877 1.00 0.00 O ATOM 0 H ASP A 106 -1.455 13.099 7.110 1.00 0.00 H new ATOM 0 HA ASP A 106 0.967 13.840 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -1.403 13.789 9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -1.236 12.047 9.474 1.00 0.00 H new ATOM 1685 N ASP A 107 2.000 11.555 9.152 1.00 0.00 N ATOM 1686 CA ASP A 107 3.008 10.500 9.168 1.00 0.00 C ATOM 1687 C ASP A 107 2.378 9.112 9.218 1.00 0.00 C ATOM 1688 O ASP A 107 2.749 8.250 8.427 1.00 0.00 O ATOM 1689 CB ASP A 107 3.952 10.696 10.357 1.00 0.00 C ATOM 1690 CG ASP A 107 4.998 9.571 10.424 1.00 0.00 C ATOM 1691 OD1 ASP A 107 5.947 9.576 9.609 1.00 0.00 O ATOM 1692 OD2 ASP A 107 4.906 8.709 11.326 1.00 0.00 O ATOM 0 H ASP A 107 2.082 12.194 9.943 1.00 0.00 H new ATOM 0 HA ASP A 107 3.575 10.569 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.454 11.659 10.271 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.377 10.718 11.283 1.00 0.00 H new ATOM 1697 N ASP A 108 1.392 8.900 10.095 1.00 0.00 N ATOM 1698 CA ASP A 108 0.756 7.592 10.245 1.00 0.00 C ATOM 1699 C ASP A 108 0.004 7.224 8.968 1.00 0.00 C ATOM 1700 O ASP A 108 0.112 6.093 8.494 1.00 0.00 O ATOM 1701 CB ASP A 108 -0.202 7.566 11.445 1.00 0.00 C ATOM 1702 CG ASP A 108 0.534 7.406 12.782 1.00 0.00 C ATOM 1703 OD1 ASP A 108 1.004 6.288 13.091 1.00 0.00 O ATOM 1704 OD2 ASP A 108 0.628 8.392 13.548 1.00 0.00 O ATOM 0 H ASP A 108 1.018 9.621 10.712 1.00 0.00 H new ATOM 0 HA ASP A 108 1.541 6.858 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.783 8.488 11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.910 6.746 11.323 1.00 0.00 H new ATOM 1709 N THR A 109 -0.718 8.174 8.367 1.00 0.00 N ATOM 1710 CA THR A 109 -1.448 7.913 7.133 1.00 0.00 C ATOM 1711 C THR A 109 -0.447 7.549 6.022 1.00 0.00 C ATOM 1712 O THR A 109 -0.672 6.580 5.296 1.00 0.00 O ATOM 1713 CB THR A 109 -2.354 9.118 6.807 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.273 9.323 7.871 1.00 0.00 O ATOM 1715 CG2 THR A 109 -3.215 8.934 5.555 1.00 0.00 C ATOM 0 H THR A 109 -0.810 9.127 8.718 1.00 0.00 H new ATOM 0 HA THR A 109 -2.115 7.057 7.235 1.00 0.00 H new ATOM 0 HB THR A 109 -1.669 9.952 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.847 10.090 7.664 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.822 9.825 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.571 8.775 4.690 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.867 8.070 5.685 1.00 0.00 H new ATOM 1723 N GLN A 110 0.691 8.250 5.925 1.00 0.00 N ATOM 1724 CA GLN A 110 1.724 7.921 4.950 1.00 0.00 C ATOM 1725 C GLN A 110 2.260 6.507 5.210 1.00 0.00 C ATOM 1726 O GLN A 110 2.393 5.727 4.269 1.00 0.00 O ATOM 1727 CB GLN A 110 2.848 8.975 4.985 1.00 0.00 C ATOM 1728 CG GLN A 110 3.605 9.099 3.651 1.00 0.00 C ATOM 1729 CD GLN A 110 4.441 7.865 3.298 1.00 0.00 C ATOM 1730 OE1 GLN A 110 5.352 7.482 4.027 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.160 7.217 2.177 1.00 0.00 N ATOM 0 H GLN A 110 0.914 9.051 6.516 1.00 0.00 H new ATOM 0 HA GLN A 110 1.293 7.935 3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 110 2.421 9.944 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 110 3.555 8.717 5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.886 9.280 2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 110 4.260 9.969 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.402 7.541 1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.702 6.394 1.914 1.00 0.00 H new ATOM 1740 N GLU A 111 2.525 6.151 6.469 1.00 0.00 N ATOM 1741 CA GLU A 111 3.051 4.841 6.833 1.00 0.00 C ATOM 1742 C GLU A 111 2.097 3.724 6.421 1.00 0.00 C ATOM 1743 O GLU A 111 2.564 2.696 5.939 1.00 0.00 O ATOM 1744 CB GLU A 111 3.347 4.769 8.340 1.00 0.00 C ATOM 1745 CG GLU A 111 4.617 5.532 8.736 1.00 0.00 C ATOM 1746 CD GLU A 111 5.899 4.761 8.373 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.363 3.930 9.187 1.00 0.00 O ATOM 1748 OE2 GLU A 111 6.470 4.988 7.283 1.00 0.00 O ATOM 0 H GLU A 111 2.379 6.770 7.266 1.00 0.00 H new ATOM 0 HA GLU A 111 3.986 4.700 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.499 5.175 8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.450 3.725 8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 111 4.626 6.502 8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.603 5.724 9.809 1.00 0.00 H new ATOM 1755 N ALA A 112 0.780 3.916 6.548 1.00 0.00 N ATOM 1756 CA ALA A 112 -0.195 2.931 6.093 1.00 0.00 C ATOM 1757 C ALA A 112 -0.076 2.688 4.583 1.00 0.00 C ATOM 1758 O ALA A 112 -0.074 1.536 4.149 1.00 0.00 O ATOM 1759 CB ALA A 112 -1.608 3.398 6.444 1.00 0.00 C ATOM 0 H ALA A 112 0.367 4.750 6.965 1.00 0.00 H new ATOM 0 HA ALA A 112 0.009 1.988 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.331 2.658 6.102 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.694 3.517 7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.807 4.353 5.957 1.00 0.00 H new ATOM 1765 N ILE A 113 0.043 3.757 3.787 1.00 0.00 N ATOM 1766 CA ILE A 113 0.213 3.648 2.339 1.00 0.00 C ATOM 1767 C ILE A 113 1.528 2.928 2.043 1.00 0.00 C ATOM 1768 O ILE A 113 1.531 1.952 1.294 1.00 0.00 O ATOM 1769 CB ILE A 113 0.122 5.047 1.675 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -1.344 5.415 1.361 1.00 0.00 C ATOM 1771 CG2 ILE A 113 0.871 5.192 0.345 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -2.031 6.044 2.558 1.00 0.00 C ATOM 0 H ILE A 113 0.024 4.717 4.130 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.592 3.055 1.906 1.00 0.00 H new ATOM 0 HB ILE A 113 0.585 5.701 2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.374 6.107 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.887 4.520 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.744 6.206 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.931 4.993 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.471 4.481 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.061 6.289 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -2.024 5.342 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.502 6.953 2.845 1.00 0.00 H new ATOM 1784 N ALA A 114 2.632 3.387 2.636 1.00 0.00 N ATOM 1785 CA ALA A 114 3.955 2.833 2.379 1.00 0.00 C ATOM 1786 C ALA A 114 3.981 1.342 2.717 1.00 0.00 C ATOM 1787 O ALA A 114 4.449 0.530 1.923 1.00 0.00 O ATOM 1788 CB ALA A 114 5.006 3.586 3.200 1.00 0.00 C ATOM 0 H ALA A 114 2.630 4.154 3.308 1.00 0.00 H new ATOM 0 HA ALA A 114 4.187 2.950 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.992 3.166 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.998 4.640 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.777 3.489 4.261 1.00 0.00 H new ATOM 1794 N ASP A 115 3.437 0.980 3.877 1.00 0.00 N ATOM 1795 CA ASP A 115 3.448 -0.396 4.356 1.00 0.00 C ATOM 1796 C ASP A 115 2.596 -1.305 3.476 1.00 0.00 C ATOM 1797 O ASP A 115 2.994 -2.432 3.173 1.00 0.00 O ATOM 1798 CB ASP A 115 2.990 -0.471 5.811 1.00 0.00 C ATOM 1799 CG ASP A 115 3.129 -1.905 6.340 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.277 -2.385 6.481 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.095 -2.527 6.660 1.00 0.00 O ATOM 0 H ASP A 115 2.977 1.634 4.510 1.00 0.00 H new ATOM 0 HA ASP A 115 4.477 -0.752 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.584 0.208 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 115 1.953 -0.146 5.890 1.00 0.00 H new ATOM 1806 N TRP A 116 1.454 -0.803 3.000 1.00 0.00 N ATOM 1807 CA TRP A 116 0.623 -1.551 2.072 1.00 0.00 C ATOM 1808 C TRP A 116 1.329 -1.716 0.722 1.00 0.00 C ATOM 1809 O TRP A 116 1.237 -2.779 0.110 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.750 -0.893 1.913 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.685 -1.735 1.104 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.070 -1.487 -0.166 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.257 -3.034 1.447 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -2.814 -2.544 -0.644 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -2.974 -3.521 0.314 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.218 -3.865 2.588 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -3.629 -4.759 0.325 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -2.866 -5.115 2.600 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -3.573 -5.564 1.473 1.00 0.00 C ATOM 0 H TRP A 116 1.090 0.118 3.245 1.00 0.00 H new ATOM 0 HA TRP A 116 0.461 -2.547 2.484 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.183 -0.715 2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.633 0.080 1.435 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.831 -0.594 -0.724 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.198 -2.596 -1.588 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.682 -3.536 3.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.174 -5.092 -0.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.819 -5.734 3.484 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.070 -6.523 1.490 1.00 0.00 H new ATOM 1830 N LEU A 117 2.077 -0.709 0.260 1.00 0.00 N ATOM 1831 CA LEU A 117 2.866 -0.820 -0.962 1.00 0.00 C ATOM 1832 C LEU A 117 4.006 -1.831 -0.790 1.00 0.00 C ATOM 1833 O LEU A 117 4.331 -2.526 -1.752 1.00 0.00 O ATOM 1834 CB LEU A 117 3.394 0.556 -1.403 1.00 0.00 C ATOM 1835 CG LEU A 117 2.294 1.504 -1.927 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.854 2.924 -2.054 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.730 1.053 -3.281 1.00 0.00 C ATOM 0 H LEU A 117 2.150 0.198 0.721 1.00 0.00 H new ATOM 0 HA LEU A 117 2.215 -1.191 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.898 1.029 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.142 0.415 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 117 1.476 1.482 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.075 3.591 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.194 3.270 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.692 2.924 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.960 1.753 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.532 1.028 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 117 1.297 0.058 -3.181 1.00 0.00 H new ATOM 1849 N TYR A 118 4.584 -1.985 0.407 1.00 0.00 N ATOM 1850 CA TYR A 118 5.545 -3.059 0.650 1.00 0.00 C ATOM 1851 C TYR A 118 4.854 -4.420 0.542 1.00 0.00 C ATOM 1852 O TYR A 118 5.400 -5.316 -0.092 1.00 0.00 O ATOM 1853 CB TYR A 118 6.257 -2.914 2.005 1.00 0.00 C ATOM 1854 CG TYR A 118 6.962 -1.590 2.257 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.676 -0.931 1.234 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.898 -1.011 3.537 1.00 0.00 C ATOM 1857 CE1 TYR A 118 8.278 0.315 1.482 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.468 0.248 3.786 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.167 0.918 2.756 1.00 0.00 C ATOM 1860 OH TYR A 118 8.744 2.133 2.978 1.00 0.00 O ATOM 0 H TYR A 118 4.404 -1.385 1.212 1.00 0.00 H new ATOM 0 HA TYR A 118 6.315 -2.987 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.522 -3.066 2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.991 -3.715 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.760 -1.385 0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.404 -1.541 4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.827 0.813 0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.373 0.703 4.761 1.00 0.00 H new ATOM 0 HH TYR A 118 8.576 2.411 3.903 1.00 0.00 H new ATOM 1870 N TRP A 119 3.642 -4.584 1.082 1.00 0.00 N ATOM 1871 CA TRP A 119 2.870 -5.819 0.927 1.00 0.00 C ATOM 1872 C TRP A 119 2.502 -6.082 -0.543 1.00 0.00 C ATOM 1873 O TRP A 119 2.539 -7.227 -1.001 1.00 0.00 O ATOM 1874 CB TRP A 119 1.637 -5.759 1.833 1.00 0.00 C ATOM 1875 CG TRP A 119 0.574 -6.781 1.570 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -0.446 -6.627 0.698 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.381 -8.100 2.171 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -1.252 -7.741 0.720 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.817 -8.663 1.640 1.00 0.00 C ATOM 1880 CE3 TRP A 119 1.082 -8.877 3.119 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.319 -9.902 2.055 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.572 -10.111 3.569 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.636 -10.615 3.053 1.00 0.00 C ATOM 0 H TRP A 119 3.171 -3.868 1.636 1.00 0.00 H new ATOM 0 HA TRP A 119 3.485 -6.665 1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.966 -5.865 2.867 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.191 -4.769 1.740 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.605 -5.758 0.076 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.072 -7.867 0.126 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.025 -8.519 3.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -2.219 -10.304 1.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.112 -10.674 4.316 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.036 -11.547 3.423 1.00 0.00 H new ATOM 1894 N LEU A 120 2.200 -5.036 -1.315 1.00 0.00 N ATOM 1895 CA LEU A 120 1.957 -5.148 -2.748 1.00 0.00 C ATOM 1896 C LEU A 120 3.214 -5.687 -3.440 1.00 0.00 C ATOM 1897 O LEU A 120 3.132 -6.656 -4.194 1.00 0.00 O ATOM 1898 CB LEU A 120 1.534 -3.769 -3.283 1.00 0.00 C ATOM 1899 CG LEU A 120 1.088 -3.733 -4.755 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -0.185 -4.551 -4.993 1.00 0.00 C ATOM 1901 CD2 LEU A 120 0.825 -2.274 -5.140 1.00 0.00 C ATOM 0 H LEU A 120 2.118 -4.084 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 120 1.151 -5.852 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.717 -3.395 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.369 -3.080 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 120 1.878 -4.171 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.461 -4.496 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.006 -5.591 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.995 -4.149 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.507 -2.224 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.042 -1.865 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.739 -1.693 -5.011 1.00 0.00 H new ATOM 1913 N ALA A 121 4.386 -5.123 -3.123 1.00 0.00 N ATOM 1914 CA ALA A 121 5.674 -5.590 -3.629 1.00 0.00 C ATOM 1915 C ALA A 121 6.035 -6.997 -3.121 1.00 0.00 C ATOM 1916 O ALA A 121 6.748 -7.732 -3.806 1.00 0.00 O ATOM 1917 CB ALA A 121 6.759 -4.581 -3.235 1.00 0.00 C ATOM 0 H ALA A 121 4.463 -4.319 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 121 5.604 -5.664 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 121 7.725 -4.921 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 121 6.525 -3.608 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 121 6.799 -4.496 -2.149 1.00 0.00 H new ATOM 1923 N ARG A 122 5.552 -7.387 -1.936 1.00 0.00 N ATOM 1924 CA ARG A 122 5.716 -8.724 -1.357 1.00 0.00 C ATOM 1925 C ARG A 122 4.951 -9.776 -2.163 1.00 0.00 C ATOM 1926 O ARG A 122 5.238 -10.963 -2.007 1.00 0.00 O ATOM 1927 CB ARG A 122 5.308 -8.681 0.132 1.00 0.00 C ATOM 1928 CG ARG A 122 5.529 -9.935 0.994 1.00 0.00 C ATOM 1929 CD ARG A 122 6.962 -10.483 0.988 1.00 0.00 C ATOM 1930 NE ARG A 122 7.095 -11.610 0.052 1.00 0.00 N ATOM 1931 CZ ARG A 122 7.911 -12.666 0.171 1.00 0.00 C ATOM 1932 NH1 ARG A 122 8.656 -12.858 1.257 1.00 0.00 N ATOM 1933 NH2 ARG A 122 7.973 -13.542 -0.827 1.00 0.00 N ATOM 0 H ARG A 122 5.019 -6.759 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 122 6.762 -9.025 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.850 -7.859 0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.248 -8.431 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.249 -9.705 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.855 -10.719 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.656 -9.691 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.235 -10.807 1.992 1.00 0.00 H new ATOM 0 HE ARG A 122 6.502 -11.585 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.615 -12.191 2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 122 9.268 -13.672 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.406 -13.403 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 122 8.588 -14.353 -0.756 1.00 0.00 H new