USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 35 LYS NZ :NH3+ -151:sc=-0.00762 (180deg=-0.404) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= -0.714 USER MOD Single : A 26 SER OG : rot 180:sc= -0.09 USER MOD Single : A 28 MET CE :methyl -170:sc= -2.82! (180deg=-3.06!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.174 USER MOD Single : A 38 GLN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -132:sc= -0.874 (180deg=-3.86!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 168:sc=-0.000606 (180deg=-0.0592) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.437 1.897 6.623 1.00 0.00 N ATOM 320 CA VAL A 25 5.149 0.581 6.066 1.00 0.00 C ATOM 321 C VAL A 25 6.354 -0.344 6.188 1.00 0.00 C ATOM 322 O VAL A 25 7.306 -0.245 5.414 1.00 0.00 O ATOM 323 CB VAL A 25 4.736 0.675 4.584 1.00 0.00 C ATOM 324 CG1 VAL A 25 4.251 -0.674 4.078 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.668 1.741 4.394 1.00 0.00 C ATOM 0 HA VAL A 25 4.319 0.170 6.641 1.00 0.00 H new ATOM 0 HB VAL A 25 5.610 0.962 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.964 -0.588 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.051 -1.408 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.390 -0.995 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.389 1.793 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.791 1.488 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.057 2.707 4.714 1.00 0.00 H new ATOM 335 N SER A 26 6.305 -1.244 7.165 1.00 0.00 N ATOM 336 CA SER A 26 7.394 -2.188 7.389 1.00 0.00 C ATOM 337 C SER A 26 7.112 -3.518 6.698 1.00 0.00 C ATOM 338 O SER A 26 6.077 -3.687 6.054 1.00 0.00 O ATOM 339 CB SER A 26 7.601 -2.413 8.888 1.00 0.00 C ATOM 340 OG SER A 26 8.734 -3.229 9.130 1.00 0.00 O ATOM 0 H SER A 26 5.524 -1.339 7.814 1.00 0.00 H new ATOM 0 HA SER A 26 8.303 -1.763 6.963 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.727 -1.453 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.714 -2.881 9.314 1.00 0.00 H new ATOM 0 HG SER A 26 8.845 -3.356 10.095 1.00 0.00 H new ATOM 346 N ALA A 27 8.041 -4.459 6.835 1.00 0.00 N ATOM 347 CA ALA A 27 7.893 -5.774 6.223 1.00 0.00 C ATOM 348 C ALA A 27 6.617 -6.463 6.701 1.00 0.00 C ATOM 349 O ALA A 27 5.948 -7.153 5.934 1.00 0.00 O ATOM 350 CB ALA A 27 9.107 -6.638 6.529 1.00 0.00 C ATOM 0 H ALA A 27 8.904 -4.335 7.364 1.00 0.00 H new ATOM 0 HA ALA A 27 7.819 -5.638 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.983 -7.617 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.003 -6.160 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.206 -6.757 7.608 1.00 0.00 H new ATOM 356 N MET A 28 6.287 -6.268 7.974 1.00 0.00 N ATOM 357 CA MET A 28 5.093 -6.869 8.555 1.00 0.00 C ATOM 358 C MET A 28 3.833 -6.158 8.068 1.00 0.00 C ATOM 359 O MET A 28 2.766 -6.763 7.969 1.00 0.00 O ATOM 360 CB MET A 28 5.162 -6.818 10.083 1.00 0.00 C ATOM 361 CG MET A 28 3.966 -7.461 10.768 1.00 0.00 C ATOM 362 SD MET A 28 4.268 -9.177 11.228 1.00 0.00 S ATOM 363 CE MET A 28 2.674 -9.910 10.863 1.00 0.00 C ATOM 0 H MET A 28 6.830 -5.698 8.622 1.00 0.00 H new ATOM 0 HA MET A 28 5.049 -7.910 8.234 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.072 -7.318 10.414 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.236 -5.778 10.401 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.713 -6.889 11.661 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.103 -7.414 10.104 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.641 -10.925 11.258 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.886 -9.316 11.325 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.524 -9.935 9.784 1.00 0.00 H new ATOM 373 N PHE A 29 3.965 -4.870 7.765 1.00 0.00 N ATOM 374 CA PHE A 29 2.837 -4.077 7.289 1.00 0.00 C ATOM 375 C PHE A 29 2.483 -4.441 5.851 1.00 0.00 C ATOM 376 O PHE A 29 1.310 -4.477 5.481 1.00 0.00 O ATOM 377 CB PHE A 29 3.162 -2.585 7.385 1.00 0.00 C ATOM 378 CG PHE A 29 1.973 -1.696 7.152 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.436 -1.556 5.882 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.394 -1.002 8.202 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.343 -0.739 5.664 1.00 0.00 C ATOM 382 CE2 PHE A 29 0.301 -0.183 7.990 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.225 -0.051 6.719 1.00 0.00 C ATOM 0 H PHE A 29 4.841 -4.354 7.841 1.00 0.00 H new ATOM 0 HA PHE A 29 1.977 -4.297 7.921 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.576 -2.374 8.371 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.936 -2.342 6.656 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.877 -2.091 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.801 -1.102 9.197 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.067 -0.638 4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.141 0.353 8.817 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.079 0.589 6.551 1.00 0.00 H new ATOM 393 N ILE A 30 3.505 -4.707 5.044 1.00 0.00 N ATOM 394 CA ILE A 30 3.301 -5.065 3.646 1.00 0.00 C ATOM 395 C ILE A 30 2.609 -6.419 3.521 1.00 0.00 C ATOM 396 O ILE A 30 1.650 -6.569 2.765 1.00 0.00 O ATOM 397 CB ILE A 30 4.635 -5.107 2.874 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.413 -3.807 3.084 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.386 -5.347 1.393 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.915 -3.991 3.063 1.00 0.00 C ATOM 0 H ILE A 30 4.482 -4.681 5.335 1.00 0.00 H new ATOM 0 HA ILE A 30 2.665 -4.294 3.212 1.00 0.00 H new ATOM 0 HB ILE A 30 5.232 -5.933 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.131 -3.095 2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.122 -3.369 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.338 -5.374 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.870 -6.298 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.771 -4.542 0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.402 -3.028 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.209 -4.678 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.218 -4.400 2.099 1.00 0.00 H new ATOM 412 N PHE A 31 3.104 -7.402 4.265 1.00 0.00 N ATOM 413 CA PHE A 31 2.533 -8.744 4.236 1.00 0.00 C ATOM 414 C PHE A 31 1.107 -8.743 4.779 1.00 0.00 C ATOM 415 O PHE A 31 0.218 -9.379 4.215 1.00 0.00 O ATOM 416 CB PHE A 31 3.399 -9.708 5.049 1.00 0.00 C ATOM 417 CG PHE A 31 2.910 -11.127 5.017 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.333 -11.997 4.024 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.027 -11.592 5.979 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.886 -13.303 3.991 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.576 -12.898 5.950 1.00 0.00 C ATOM 422 CZ PHE A 31 2.005 -13.754 4.956 1.00 0.00 C ATOM 0 H PHE A 31 3.899 -7.295 4.895 1.00 0.00 H new ATOM 0 HA PHE A 31 2.507 -9.076 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.420 -9.676 4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.434 -9.368 6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.020 -11.649 3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.688 -10.927 6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.224 -13.971 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.888 -13.249 6.705 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.653 -14.775 4.932 1.00 0.00 H new ATOM 432 N SER A 32 0.899 -8.026 5.878 1.00 0.00 N ATOM 433 CA SER A 32 -0.418 -7.943 6.500 1.00 0.00 C ATOM 434 C SER A 32 -1.388 -7.131 5.641 1.00 0.00 C ATOM 435 O SER A 32 -2.599 -7.164 5.864 1.00 0.00 O ATOM 436 CB SER A 32 -0.309 -7.319 7.892 1.00 0.00 C ATOM 437 OG SER A 32 -1.586 -7.172 8.487 1.00 0.00 O ATOM 0 H SER A 32 1.626 -7.494 6.357 1.00 0.00 H new ATOM 0 HA SER A 32 -0.808 -8.957 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.321 -7.944 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.176 -6.346 7.820 1.00 0.00 H new ATOM 0 HG SER A 32 -1.488 -6.772 9.377 1.00 0.00 H new ATOM 443 N GLU A 33 -0.855 -6.401 4.665 1.00 0.00 N ATOM 444 CA GLU A 33 -1.684 -5.583 3.786 1.00 0.00 C ATOM 445 C GLU A 33 -1.824 -6.226 2.410 1.00 0.00 C ATOM 446 O GLU A 33 -2.841 -6.061 1.737 1.00 0.00 O ATOM 447 CB GLU A 33 -1.086 -4.182 3.647 1.00 0.00 C ATOM 448 CG GLU A 33 -2.093 -3.130 3.212 1.00 0.00 C ATOM 449 CD GLU A 33 -1.487 -2.086 2.295 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.247 -1.942 2.298 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.252 -1.411 1.576 1.00 0.00 O ATOM 0 H GLU A 33 0.144 -6.359 4.464 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.675 -5.507 4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.653 -3.885 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.271 -4.214 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.924 -3.617 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.504 -2.639 4.094 1.00 0.00 H new ATOM 458 N GLU A 34 -0.795 -6.959 1.996 1.00 0.00 N ATOM 459 CA GLU A 34 -0.803 -7.623 0.697 1.00 0.00 C ATOM 460 C GLU A 34 -1.514 -8.972 0.776 1.00 0.00 C ATOM 461 O GLU A 34 -2.140 -9.412 -0.188 1.00 0.00 O ATOM 462 CB GLU A 34 0.627 -7.819 0.192 1.00 0.00 C ATOM 463 CG GLU A 34 0.752 -7.756 -1.321 1.00 0.00 C ATOM 464 CD GLU A 34 2.134 -7.327 -1.774 1.00 0.00 C ATOM 465 OE1 GLU A 34 3.118 -7.674 -1.086 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.233 -6.647 -2.816 1.00 0.00 O ATOM 0 H GLU A 34 0.054 -7.108 2.541 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.346 -6.987 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.267 -7.055 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.997 -8.784 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.523 -8.735 -1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.012 -7.059 -1.714 1.00 0.00 H new ATOM 473 N LYS A 35 -1.410 -9.625 1.929 1.00 0.00 N ATOM 474 CA LYS A 35 -2.040 -10.924 2.131 1.00 0.00 C ATOM 475 C LYS A 35 -3.487 -10.772 2.596 1.00 0.00 C ATOM 476 O LYS A 35 -4.295 -11.688 2.444 1.00 0.00 O ATOM 477 CB LYS A 35 -1.248 -11.743 3.152 1.00 0.00 C ATOM 478 CG LYS A 35 0.214 -11.925 2.783 1.00 0.00 C ATOM 479 CD LYS A 35 0.440 -13.219 2.018 1.00 0.00 C ATOM 480 CE LYS A 35 1.462 -13.039 0.908 1.00 0.00 C ATOM 481 NZ LYS A 35 2.285 -14.263 0.706 1.00 0.00 N ATOM 0 H LYS A 35 -0.895 -9.276 2.737 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.043 -11.447 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.311 -11.254 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.712 -12.724 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.545 -11.081 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.821 -11.926 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.780 -13.994 2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.504 -13.561 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.949 -12.789 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.114 -12.199 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.224 -13.995 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.390 -14.764 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.817 -14.887 0.018 1.00 0.00 H new ATOM 495 N ARG A 36 -3.809 -9.613 3.165 1.00 0.00 N ATOM 496 CA ARG A 36 -5.159 -9.349 3.652 1.00 0.00 C ATOM 497 C ARG A 36 -6.195 -9.571 2.553 1.00 0.00 C ATOM 498 O ARG A 36 -7.199 -10.252 2.761 1.00 0.00 O ATOM 499 CB ARG A 36 -5.261 -7.917 4.182 1.00 0.00 C ATOM 500 CG ARG A 36 -6.635 -7.566 4.731 1.00 0.00 C ATOM 501 CD ARG A 36 -6.644 -6.185 5.364 1.00 0.00 C ATOM 502 NE ARG A 36 -6.237 -5.147 4.419 1.00 0.00 N ATOM 503 CZ ARG A 36 -7.043 -4.628 3.496 1.00 0.00 C ATOM 504 NH1 ARG A 36 -8.298 -5.048 3.388 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.593 -3.687 2.676 1.00 0.00 N ATOM 0 H ARG A 36 -3.154 -8.843 3.300 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.365 -10.048 4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.519 -7.776 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.012 -7.223 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.370 -7.604 3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.933 -8.309 5.471 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.644 -5.964 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.974 -6.176 6.224 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.279 -4.800 4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.649 -5.772 4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.911 -4.646 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.629 -3.362 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.211 -3.289 1.968 1.00 0.00 H new ATOM 519 N ARG A 37 -5.944 -8.992 1.383 1.00 0.00 N ATOM 520 CA ARG A 37 -6.854 -9.127 0.252 1.00 0.00 C ATOM 521 C ARG A 37 -6.873 -10.561 -0.269 1.00 0.00 C ATOM 522 O ARG A 37 -7.863 -11.005 -0.853 1.00 0.00 O ATOM 523 CB ARG A 37 -6.452 -8.170 -0.870 1.00 0.00 C ATOM 524 CG ARG A 37 -7.500 -8.040 -1.964 1.00 0.00 C ATOM 525 CD ARG A 37 -7.092 -7.015 -3.010 1.00 0.00 C ATOM 526 NE ARG A 37 -5.866 -7.400 -3.706 1.00 0.00 N ATOM 527 CZ ARG A 37 -5.486 -6.889 -4.874 1.00 0.00 C ATOM 528 NH1 ARG A 37 -6.232 -5.975 -5.482 1.00 0.00 N ATOM 529 NH2 ARG A 37 -4.357 -7.294 -5.439 1.00 0.00 N ATOM 0 H ARG A 37 -5.118 -8.425 1.194 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.857 -8.873 0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.259 -7.185 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.517 -8.515 -1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.650 -9.008 -2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.454 -7.751 -1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.898 -6.896 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.948 -6.046 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.267 -8.101 -3.271 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.103 -5.660 -5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.935 -5.587 -6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.780 -7.997 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.066 -6.902 -6.335 1.00 0.00 H new ATOM 543 N GLN A 38 -5.775 -11.280 -0.058 1.00 0.00 N ATOM 544 CA GLN A 38 -5.669 -12.662 -0.511 1.00 0.00 C ATOM 545 C GLN A 38 -6.509 -13.589 0.362 1.00 0.00 C ATOM 546 O GLN A 38 -7.142 -14.521 -0.135 1.00 0.00 O ATOM 547 CB GLN A 38 -4.208 -13.114 -0.494 1.00 0.00 C ATOM 548 CG GLN A 38 -3.444 -12.751 -1.757 1.00 0.00 C ATOM 549 CD GLN A 38 -2.816 -13.956 -2.428 1.00 0.00 C ATOM 550 OE1 GLN A 38 -1.616 -13.973 -2.703 1.00 0.00 O ATOM 551 NE2 GLN A 38 -3.626 -14.974 -2.696 1.00 0.00 N ATOM 0 H GLN A 38 -4.947 -10.929 0.423 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.048 -12.713 -1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.708 -12.666 0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.172 -14.195 -0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.120 -12.262 -2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.664 -12.030 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.614 -14.917 -2.451 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.260 -15.812 -3.147 1.00 0.00 H new ATOM 560 N LEU A 39 -6.510 -13.327 1.664 1.00 0.00 N ATOM 561 CA LEU A 39 -7.273 -14.138 2.606 1.00 0.00 C ATOM 562 C LEU A 39 -8.749 -13.749 2.593 1.00 0.00 C ATOM 563 O LEU A 39 -9.619 -14.572 2.877 1.00 0.00 O ATOM 564 CB LEU A 39 -6.706 -13.985 4.018 1.00 0.00 C ATOM 565 CG LEU A 39 -5.469 -14.834 4.316 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.817 -14.391 5.616 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.838 -16.309 4.378 1.00 0.00 C ATOM 0 H LEU A 39 -5.991 -12.560 2.091 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.189 -15.180 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.456 -12.937 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.485 -14.242 4.736 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.752 -14.692 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.939 -15.007 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.517 -13.346 5.535 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.527 -14.502 6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.946 -16.899 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.574 -16.467 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.258 -16.619 3.421 1.00 0.00 H new ATOM 579 N GLN A 40 -9.023 -12.491 2.264 1.00 0.00 N ATOM 580 CA GLN A 40 -10.394 -11.994 2.215 1.00 0.00 C ATOM 581 C GLN A 40 -11.236 -12.807 1.237 1.00 0.00 C ATOM 582 O GLN A 40 -12.272 -13.362 1.607 1.00 0.00 O ATOM 583 CB GLN A 40 -10.408 -10.516 1.816 1.00 0.00 C ATOM 584 CG GLN A 40 -11.263 -9.649 2.724 1.00 0.00 C ATOM 585 CD GLN A 40 -10.945 -8.173 2.590 1.00 0.00 C ATOM 586 OE1 GLN A 40 -10.669 -7.683 1.495 1.00 0.00 O ATOM 587 NE2 GLN A 40 -10.983 -7.455 3.707 1.00 0.00 N ATOM 0 H GLN A 40 -8.314 -11.797 2.027 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.827 -12.099 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.386 -10.137 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.774 -10.428 0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.315 -9.813 2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.114 -9.956 3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.217 -7.903 4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.779 -6.456 3.678 1.00 0.00 H new ATOM 596 N GLU A 41 -10.786 -12.874 -0.012 1.00 0.00 N ATOM 597 CA GLU A 41 -11.499 -13.620 -1.042 1.00 0.00 C ATOM 598 C GLU A 41 -11.628 -15.091 -0.661 1.00 0.00 C ATOM 599 O GLU A 41 -12.713 -15.669 -0.730 1.00 0.00 O ATOM 600 CB GLU A 41 -10.780 -13.491 -2.385 1.00 0.00 C ATOM 601 CG GLU A 41 -10.882 -12.105 -3.001 1.00 0.00 C ATOM 602 CD GLU A 41 -12.153 -11.916 -3.805 1.00 0.00 C ATOM 603 OE1 GLU A 41 -13.161 -12.580 -3.485 1.00 0.00 O ATOM 604 OE2 GLU A 41 -12.140 -11.104 -4.754 1.00 0.00 O ATOM 0 H GLU A 41 -9.931 -12.421 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.500 -13.198 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.728 -13.742 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.195 -14.220 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.842 -11.356 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.020 -11.934 -3.646 1.00 0.00 H new ATOM 611 N GLU A 42 -10.512 -15.691 -0.258 1.00 0.00 N ATOM 612 CA GLU A 42 -10.499 -17.097 0.135 1.00 0.00 C ATOM 613 C GLU A 42 -11.385 -17.329 1.355 1.00 0.00 C ATOM 614 O GLU A 42 -12.010 -18.382 1.488 1.00 0.00 O ATOM 615 CB GLU A 42 -9.070 -17.550 0.435 1.00 0.00 C ATOM 616 CG GLU A 42 -8.094 -17.273 -0.698 1.00 0.00 C ATOM 617 CD GLU A 42 -7.621 -18.539 -1.385 1.00 0.00 C ATOM 618 OE1 GLU A 42 -8.480 -19.314 -1.855 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.393 -18.755 -1.454 1.00 0.00 O ATOM 0 H GLU A 42 -9.606 -15.227 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.893 -17.684 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.720 -17.047 1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.073 -18.619 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.570 -16.623 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.232 -16.733 -0.306 1.00 0.00 H new ATOM 626 N ARG A 43 -11.437 -16.340 2.240 1.00 0.00 N ATOM 627 CA ARG A 43 -12.246 -16.437 3.449 1.00 0.00 C ATOM 628 C ARG A 43 -13.245 -15.285 3.531 1.00 0.00 C ATOM 629 O ARG A 43 -13.033 -14.319 4.265 1.00 0.00 O ATOM 630 CB ARG A 43 -11.350 -16.440 4.690 1.00 0.00 C ATOM 631 CG ARG A 43 -10.234 -17.473 4.631 1.00 0.00 C ATOM 632 CD ARG A 43 -10.481 -18.624 5.595 1.00 0.00 C ATOM 633 NE ARG A 43 -9.305 -18.916 6.410 1.00 0.00 N ATOM 634 CZ ARG A 43 -9.288 -19.814 7.394 1.00 0.00 C ATOM 635 NH1 ARG A 43 -10.381 -20.509 7.685 1.00 0.00 N ATOM 636 NH2 ARG A 43 -8.177 -20.016 8.088 1.00 0.00 N ATOM 0 H ARG A 43 -10.928 -15.461 2.143 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.802 -17.374 3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.911 -15.450 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.963 -16.630 5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.150 -17.860 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.283 -16.996 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.321 -18.379 6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.763 -19.514 5.032 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.446 -18.402 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.239 -20.357 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.363 -21.195 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.335 -19.484 7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.164 -20.704 8.841 1.00 0.00 H new ATOM 650 N PRO A 44 -14.352 -15.371 2.774 1.00 0.00 N ATOM 651 CA PRO A 44 -15.385 -14.331 2.764 1.00 0.00 C ATOM 652 C PRO A 44 -16.164 -14.267 4.075 1.00 0.00 C ATOM 653 O PRO A 44 -16.829 -13.271 4.363 1.00 0.00 O ATOM 654 CB PRO A 44 -16.306 -14.752 1.616 1.00 0.00 C ATOM 655 CG PRO A 44 -16.117 -16.226 1.501 1.00 0.00 C ATOM 656 CD PRO A 44 -14.683 -16.488 1.869 1.00 0.00 C ATOM 0 HA PRO A 44 -14.955 -13.337 2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.345 -14.501 1.830 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.040 -14.245 0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.795 -16.760 2.167 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.329 -16.569 0.488 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.565 -17.453 2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.038 -16.498 0.990 1.00 0.00 H new ATOM 664 N GLU A 45 -16.079 -15.333 4.867 1.00 0.00 N ATOM 665 CA GLU A 45 -16.777 -15.392 6.145 1.00 0.00 C ATOM 666 C GLU A 45 -16.053 -14.562 7.200 1.00 0.00 C ATOM 667 O GLU A 45 -16.680 -13.972 8.079 1.00 0.00 O ATOM 668 CB GLU A 45 -16.899 -16.843 6.617 1.00 0.00 C ATOM 669 CG GLU A 45 -17.847 -17.023 7.792 1.00 0.00 C ATOM 670 CD GLU A 45 -19.274 -17.286 7.354 1.00 0.00 C ATOM 671 OE1 GLU A 45 -19.463 -17.916 6.292 1.00 0.00 O ATOM 672 OE2 GLU A 45 -20.204 -16.861 8.073 1.00 0.00 O ATOM 0 H GLU A 45 -15.534 -16.166 4.645 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.775 -14.977 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.243 -17.459 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.912 -17.209 6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.502 -17.852 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.821 -16.129 8.415 1.00 0.00 H new ATOM 679 N LEU A 46 -14.728 -14.521 7.105 1.00 0.00 N ATOM 680 CA LEU A 46 -13.917 -13.763 8.050 1.00 0.00 C ATOM 681 C LEU A 46 -13.864 -12.289 7.662 1.00 0.00 C ATOM 682 O LEU A 46 -13.962 -11.942 6.486 1.00 0.00 O ATOM 683 CB LEU A 46 -12.501 -14.339 8.111 1.00 0.00 C ATOM 684 CG LEU A 46 -12.397 -15.739 8.718 1.00 0.00 C ATOM 685 CD1 LEU A 46 -11.189 -16.475 8.157 1.00 0.00 C ATOM 686 CD2 LEU A 46 -12.317 -15.657 10.234 1.00 0.00 C ATOM 0 H LEU A 46 -14.193 -15.004 6.383 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.378 -13.843 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.093 -14.366 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.874 -13.661 8.690 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.294 -16.298 8.451 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.131 -17.469 8.600 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.288 -16.565 7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.282 -15.919 8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.243 -16.662 10.649 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.438 -15.080 10.521 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -13.212 -15.170 10.620 1.00 0.00 H new ATOM 698 N SER A 47 -13.709 -11.425 8.660 1.00 0.00 N ATOM 699 CA SER A 47 -13.643 -9.988 8.424 1.00 0.00 C ATOM 700 C SER A 47 -12.200 -9.497 8.452 1.00 0.00 C ATOM 701 O SER A 47 -11.268 -10.287 8.600 1.00 0.00 O ATOM 702 CB SER A 47 -14.469 -9.238 9.470 1.00 0.00 C ATOM 703 OG SER A 47 -15.665 -9.936 9.772 1.00 0.00 O ATOM 0 H SER A 47 -13.627 -11.695 9.640 1.00 0.00 H new ATOM 0 HA SER A 47 -14.056 -9.790 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.880 -9.109 10.378 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.709 -8.241 9.101 1.00 0.00 H new ATOM 0 HG SER A 47 -16.174 -9.437 10.444 1.00 0.00 H new ATOM 709 N GLU A 48 -12.023 -8.187 8.309 1.00 0.00 N ATOM 710 CA GLU A 48 -10.692 -7.591 8.318 1.00 0.00 C ATOM 711 C GLU A 48 -10.016 -7.784 9.671 1.00 0.00 C ATOM 712 O GLU A 48 -8.867 -8.218 9.744 1.00 0.00 O ATOM 713 CB GLU A 48 -10.780 -6.100 7.988 1.00 0.00 C ATOM 714 CG GLU A 48 -9.571 -5.572 7.233 1.00 0.00 C ATOM 715 CD GLU A 48 -9.585 -4.063 7.092 1.00 0.00 C ATOM 716 OE1 GLU A 48 -10.683 -3.492 6.927 1.00 0.00 O ATOM 717 OE2 GLU A 48 -8.498 -3.451 7.148 1.00 0.00 O ATOM 0 H GLU A 48 -12.784 -7.519 8.186 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.091 -8.092 7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.676 -5.920 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.894 -5.537 8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.662 -5.876 7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.539 -6.025 6.242 1.00 0.00 H new ATOM 724 N SER A 49 -10.736 -7.458 10.740 1.00 0.00 N ATOM 725 CA SER A 49 -10.204 -7.596 12.090 1.00 0.00 C ATOM 726 C SER A 49 -9.816 -9.042 12.381 1.00 0.00 C ATOM 727 O SER A 49 -8.897 -9.304 13.157 1.00 0.00 O ATOM 728 CB SER A 49 -11.233 -7.116 13.117 1.00 0.00 C ATOM 729 OG SER A 49 -12.385 -7.942 13.110 1.00 0.00 O ATOM 0 H SER A 49 -11.689 -7.097 10.697 1.00 0.00 H new ATOM 0 HA SER A 49 -9.309 -6.979 12.164 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.787 -7.118 14.111 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.518 -6.087 12.897 1.00 0.00 H new ATOM 0 HG SER A 49 -13.026 -7.615 13.776 1.00 0.00 H new ATOM 735 N GLU A 50 -10.522 -9.977 11.755 1.00 0.00 N ATOM 736 CA GLU A 50 -10.250 -11.398 11.948 1.00 0.00 C ATOM 737 C GLU A 50 -9.035 -11.835 11.136 1.00 0.00 C ATOM 738 O GLU A 50 -8.311 -12.749 11.530 1.00 0.00 O ATOM 739 CB GLU A 50 -11.471 -12.229 11.551 1.00 0.00 C ATOM 740 CG GLU A 50 -12.765 -11.754 12.194 1.00 0.00 C ATOM 741 CD GLU A 50 -13.664 -12.902 12.612 1.00 0.00 C ATOM 742 OE1 GLU A 50 -13.466 -13.436 13.723 1.00 0.00 O ATOM 743 OE2 GLU A 50 -14.566 -13.265 11.828 1.00 0.00 O ATOM 0 H GLU A 50 -11.287 -9.778 11.110 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.035 -11.562 13.004 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.582 -12.202 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.298 -13.269 11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.530 -11.145 13.067 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.301 -11.114 11.493 1.00 0.00 H new ATOM 750 N LEU A 51 -8.818 -11.179 10.001 1.00 0.00 N ATOM 751 CA LEU A 51 -7.690 -11.502 9.135 1.00 0.00 C ATOM 752 C LEU A 51 -6.376 -11.040 9.757 1.00 0.00 C ATOM 753 O LEU A 51 -5.329 -11.651 9.542 1.00 0.00 O ATOM 754 CB LEU A 51 -7.874 -10.854 7.761 1.00 0.00 C ATOM 755 CG LEU A 51 -8.894 -11.541 6.852 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.944 -10.858 5.494 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.559 -13.016 6.696 1.00 0.00 C ATOM 0 H LEU A 51 -9.408 -10.421 9.659 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.653 -12.585 9.017 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.178 -9.817 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.910 -10.837 7.252 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.878 -11.458 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.675 -11.360 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.231 -9.814 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.962 -10.909 5.025 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.295 -13.489 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.567 -13.119 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.575 -13.498 7.673 1.00 0.00 H new ATOM 769 N THR A 52 -6.438 -9.960 10.529 1.00 0.00 N ATOM 770 CA THR A 52 -5.253 -9.419 11.183 1.00 0.00 C ATOM 771 C THR A 52 -4.614 -10.456 12.101 1.00 0.00 C ATOM 772 O THR A 52 -3.391 -10.576 12.165 1.00 0.00 O ATOM 773 CB THR A 52 -5.613 -8.165 11.982 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.405 -7.285 11.205 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.403 -7.393 12.462 1.00 0.00 C ATOM 0 H THR A 52 -7.297 -9.442 10.717 1.00 0.00 H new ATOM 0 HA THR A 52 -4.532 -9.154 10.409 1.00 0.00 H new ATOM 0 HB THR A 52 -6.162 -8.525 12.852 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.626 -6.490 11.734 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.729 -6.516 13.021 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.797 -8.030 13.107 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.810 -7.076 11.604 1.00 0.00 H new ATOM 783 N ARG A 53 -5.452 -11.205 12.811 1.00 0.00 N ATOM 784 CA ARG A 53 -4.971 -12.233 13.726 1.00 0.00 C ATOM 785 C ARG A 53 -4.268 -13.354 12.968 1.00 0.00 C ATOM 786 O ARG A 53 -3.202 -13.818 13.375 1.00 0.00 O ATOM 787 CB ARG A 53 -6.134 -12.804 14.540 1.00 0.00 C ATOM 788 CG ARG A 53 -6.728 -11.812 15.526 1.00 0.00 C ATOM 789 CD ARG A 53 -5.706 -11.376 16.565 1.00 0.00 C ATOM 790 NE ARG A 53 -5.454 -9.939 16.514 1.00 0.00 N ATOM 791 CZ ARG A 53 -6.252 -9.026 17.063 1.00 0.00 C ATOM 792 NH1 ARG A 53 -7.354 -9.396 17.703 1.00 0.00 N ATOM 793 NH2 ARG A 53 -5.947 -7.739 16.971 1.00 0.00 N ATOM 0 H ARG A 53 -6.468 -11.119 12.770 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.252 -11.772 14.403 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.915 -13.138 13.857 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.789 -13.683 15.084 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.096 -10.939 14.988 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.586 -12.263 16.025 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.061 -11.647 17.559 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.772 -11.914 16.403 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.617 -9.615 16.029 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.594 -10.385 17.776 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.961 -8.692 18.122 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.101 -7.449 16.480 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.558 -7.039 17.391 1.00 0.00 H new ATOM 807 N LEU A 54 -4.871 -13.787 11.866 1.00 0.00 N ATOM 808 CA LEU A 54 -4.302 -14.856 11.053 1.00 0.00 C ATOM 809 C LEU A 54 -3.068 -14.370 10.299 1.00 0.00 C ATOM 810 O LEU A 54 -2.136 -15.135 10.054 1.00 0.00 O ATOM 811 CB LEU A 54 -5.343 -15.385 10.065 1.00 0.00 C ATOM 812 CG LEU A 54 -5.034 -16.760 9.473 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.996 -17.815 10.568 1.00 0.00 C ATOM 814 CD2 LEU A 54 -6.060 -17.126 8.412 1.00 0.00 C ATOM 0 H LEU A 54 -5.753 -13.414 11.515 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.002 -15.664 11.720 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.309 -15.432 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.444 -14.669 9.249 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.052 -16.720 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.775 -18.788 10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.223 -17.560 11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.963 -17.855 11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.824 -18.108 8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.054 -17.149 8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.038 -16.384 7.614 1.00 0.00 H new ATOM 826 N LEU A 55 -3.070 -13.092 9.932 1.00 0.00 N ATOM 827 CA LEU A 55 -1.950 -12.505 9.205 1.00 0.00 C ATOM 828 C LEU A 55 -0.683 -12.512 10.055 1.00 0.00 C ATOM 829 O LEU A 55 0.410 -12.783 9.557 1.00 0.00 O ATOM 830 CB LEU A 55 -2.284 -11.072 8.781 1.00 0.00 C ATOM 831 CG LEU A 55 -3.217 -10.956 7.575 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.771 -9.544 7.465 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.486 -11.345 6.299 1.00 0.00 C ATOM 0 H LEU A 55 -3.834 -12.444 10.126 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.772 -13.109 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.741 -10.556 9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.354 -10.550 8.554 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.052 -11.642 7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.433 -9.479 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.329 -9.301 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.949 -8.839 7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.164 -11.257 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.633 -10.683 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.137 -12.374 6.379 1.00 0.00 H new ATOM 845 N ALA A 56 -0.837 -12.210 11.340 1.00 0.00 N ATOM 846 CA ALA A 56 0.295 -12.181 12.260 1.00 0.00 C ATOM 847 C ALA A 56 0.959 -13.549 12.361 1.00 0.00 C ATOM 848 O ALA A 56 2.175 -13.647 12.532 1.00 0.00 O ATOM 849 CB ALA A 56 -0.156 -11.708 13.634 1.00 0.00 C ATOM 0 H ALA A 56 -1.734 -11.982 11.768 1.00 0.00 H new ATOM 0 HA ALA A 56 1.031 -11.479 11.868 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.698 -11.691 14.311 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.576 -10.705 13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.914 -12.389 14.023 1.00 0.00 H new ATOM 855 N ARG A 57 0.156 -14.602 12.256 1.00 0.00 N ATOM 856 CA ARG A 57 0.669 -15.965 12.338 1.00 0.00 C ATOM 857 C ARG A 57 1.347 -16.374 11.034 1.00 0.00 C ATOM 858 O ARG A 57 2.386 -17.035 11.043 1.00 0.00 O ATOM 859 CB ARG A 57 -0.463 -16.940 12.664 1.00 0.00 C ATOM 860 CG ARG A 57 0.018 -18.254 13.259 1.00 0.00 C ATOM 861 CD ARG A 57 -1.078 -19.310 13.251 1.00 0.00 C ATOM 862 NE ARG A 57 -0.699 -20.489 12.474 1.00 0.00 N ATOM 863 CZ ARG A 57 -0.889 -20.607 11.161 1.00 0.00 C ATOM 864 NH1 ARG A 57 -1.453 -19.624 10.470 1.00 0.00 N ATOM 865 NH2 ARG A 57 -0.513 -21.715 10.537 1.00 0.00 N ATOM 0 H ARG A 57 -0.852 -14.538 12.114 1.00 0.00 H new ATOM 0 HA ARG A 57 1.410 -15.998 13.137 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.151 -16.464 13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.026 -17.147 11.754 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.877 -18.617 12.694 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.356 -18.088 14.282 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.302 -19.608 14.275 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.991 -18.882 12.837 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.263 -21.268 12.967 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.745 -18.769 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.595 -19.723 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.080 -22.474 11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.657 -21.808 9.532 1.00 0.00 H new ATOM 879 N MET A 58 0.754 -15.977 9.912 1.00 0.00 N ATOM 880 CA MET A 58 1.302 -16.302 8.601 1.00 0.00 C ATOM 881 C MET A 58 2.709 -15.735 8.442 1.00 0.00 C ATOM 882 O MET A 58 3.563 -16.340 7.791 1.00 0.00 O ATOM 883 CB MET A 58 0.394 -15.757 7.496 1.00 0.00 C ATOM 884 CG MET A 58 -0.801 -16.648 7.198 1.00 0.00 C ATOM 885 SD MET A 58 -1.140 -16.792 5.432 1.00 0.00 S ATOM 886 CE MET A 58 -1.349 -15.070 4.986 1.00 0.00 C ATOM 0 H MET A 58 -0.106 -15.430 9.885 1.00 0.00 H new ATOM 0 HA MET A 58 1.355 -17.387 8.517 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.037 -14.768 7.785 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.979 -15.631 6.585 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.621 -17.640 7.611 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.681 -16.248 7.701 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.255 -14.956 4.391 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.431 -14.467 5.890 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.489 -14.738 4.405 1.00 0.00 H new ATOM 896 N TRP A 59 2.944 -14.573 9.040 1.00 0.00 N ATOM 897 CA TRP A 59 4.249 -13.924 8.964 1.00 0.00 C ATOM 898 C TRP A 59 5.323 -14.778 9.630 1.00 0.00 C ATOM 899 O TRP A 59 6.468 -14.815 9.180 1.00 0.00 O ATOM 900 CB TRP A 59 4.194 -12.546 9.625 1.00 0.00 C ATOM 901 CG TRP A 59 5.482 -11.787 9.525 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.340 -11.492 10.544 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.056 -11.226 8.340 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.414 -10.782 10.065 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.263 -10.606 8.714 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.668 -11.189 6.997 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.084 -9.956 7.795 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.483 -10.543 6.086 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.679 -9.935 6.488 1.00 0.00 C ATOM 0 H TRP A 59 2.249 -14.060 9.583 1.00 0.00 H new ATOM 0 HA TRP A 59 4.507 -13.806 7.912 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.399 -11.961 9.163 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.932 -12.666 10.676 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.196 -11.775 11.576 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.196 -10.441 10.624 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.748 -11.657 6.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.006 -9.486 8.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.192 -10.507 5.046 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.294 -9.439 5.751 1.00 0.00 H new ATOM 920 N ASN A 60 4.946 -15.463 10.705 1.00 0.00 N ATOM 921 CA ASN A 60 5.879 -16.316 11.433 1.00 0.00 C ATOM 922 C ASN A 60 6.222 -17.563 10.624 1.00 0.00 C ATOM 923 O ASN A 60 7.346 -18.061 10.680 1.00 0.00 O ATOM 924 CB ASN A 60 5.288 -16.717 12.786 1.00 0.00 C ATOM 925 CG ASN A 60 5.050 -15.523 13.689 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.794 -14.543 13.649 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.010 -15.599 14.509 1.00 0.00 N ATOM 0 H ASN A 60 4.002 -15.444 11.091 1.00 0.00 H new ATOM 0 HA ASN A 60 6.796 -15.750 11.599 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.346 -17.242 12.627 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.963 -17.415 13.282 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.800 -14.825 15.140 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.420 -16.431 14.508 1.00 0.00 H new ATOM 934 N ASP A 61 5.247 -18.061 9.872 1.00 0.00 N ATOM 935 CA ASP A 61 5.446 -19.250 9.051 1.00 0.00 C ATOM 936 C ASP A 61 6.421 -18.967 7.911 1.00 0.00 C ATOM 937 O ASP A 61 7.101 -19.871 7.425 1.00 0.00 O ATOM 938 CB ASP A 61 4.110 -19.736 8.486 1.00 0.00 C ATOM 939 CG ASP A 61 3.464 -20.795 9.357 1.00 0.00 C ATOM 940 OD1 ASP A 61 3.783 -20.845 10.564 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.642 -21.574 8.833 1.00 0.00 O ATOM 0 H ASP A 61 4.311 -17.660 9.814 1.00 0.00 H new ATOM 0 HA ASP A 61 5.870 -20.030 9.683 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.432 -18.889 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.267 -20.139 7.485 1.00 0.00 H new ATOM 946 N LEU A 62 6.483 -17.707 7.488 1.00 0.00 N ATOM 947 CA LEU A 62 7.374 -17.306 6.405 1.00 0.00 C ATOM 948 C LEU A 62 8.821 -17.675 6.721 1.00 0.00 C ATOM 949 O LEU A 62 9.123 -18.166 7.808 1.00 0.00 O ATOM 950 CB LEU A 62 7.264 -15.801 6.157 1.00 0.00 C ATOM 951 CG LEU A 62 6.070 -15.369 5.305 1.00 0.00 C ATOM 952 CD1 LEU A 62 6.106 -13.868 5.056 1.00 0.00 C ATOM 953 CD2 LEU A 62 6.055 -16.129 3.988 1.00 0.00 C ATOM 0 H LEU A 62 5.927 -16.947 7.879 1.00 0.00 H new ATOM 0 HA LEU A 62 7.071 -17.841 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.206 -15.293 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.179 -15.461 5.672 1.00 0.00 H new ATOM 0 HG LEU A 62 5.155 -15.604 5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.249 -13.579 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.069 -13.340 6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.026 -13.608 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.199 -15.810 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.974 -15.924 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.981 -17.198 4.186 1.00 0.00 H new ATOM 965 N SER A 63 9.710 -17.435 5.763 1.00 0.00 N ATOM 966 CA SER A 63 11.125 -17.741 5.938 1.00 0.00 C ATOM 967 C SER A 63 11.980 -16.495 5.737 1.00 0.00 C ATOM 968 O SER A 63 11.462 -15.412 5.463 1.00 0.00 O ATOM 969 CB SER A 63 11.557 -18.834 4.958 1.00 0.00 C ATOM 970 OG SER A 63 11.223 -20.121 5.448 1.00 0.00 O ATOM 0 H SER A 63 9.475 -17.029 4.857 1.00 0.00 H new ATOM 0 HA SER A 63 11.270 -18.099 6.957 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.076 -18.673 3.994 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.632 -18.773 4.792 1.00 0.00 H new ATOM 0 HG SER A 63 11.508 -20.801 4.802 1.00 0.00 H new ATOM 976 N GLU A 64 13.292 -16.654 5.876 1.00 0.00 N ATOM 977 CA GLU A 64 14.219 -15.541 5.709 1.00 0.00 C ATOM 978 C GLU A 64 14.235 -15.056 4.263 1.00 0.00 C ATOM 979 O GLU A 64 14.470 -13.877 3.995 1.00 0.00 O ATOM 980 CB GLU A 64 15.628 -15.955 6.136 1.00 0.00 C ATOM 981 CG GLU A 64 16.112 -17.238 5.479 1.00 0.00 C ATOM 982 CD GLU A 64 16.562 -18.277 6.486 1.00 0.00 C ATOM 983 OE1 GLU A 64 15.706 -18.781 7.243 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.771 -18.588 6.519 1.00 0.00 O ATOM 0 H GLU A 64 13.737 -17.543 6.104 1.00 0.00 H new ATOM 0 HA GLU A 64 13.880 -14.722 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.322 -15.150 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.648 -16.081 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.310 -17.653 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.938 -17.008 4.807 1.00 0.00 H new ATOM 991 N LYS A 65 13.984 -15.971 3.333 1.00 0.00 N ATOM 992 CA LYS A 65 13.971 -15.637 1.914 1.00 0.00 C ATOM 993 C LYS A 65 12.673 -14.934 1.530 1.00 0.00 C ATOM 994 O LYS A 65 12.688 -13.916 0.837 1.00 0.00 O ATOM 995 CB LYS A 65 14.153 -16.902 1.070 1.00 0.00 C ATOM 996 CG LYS A 65 15.433 -16.905 0.249 1.00 0.00 C ATOM 997 CD LYS A 65 15.998 -18.308 0.103 1.00 0.00 C ATOM 998 CE LYS A 65 17.280 -18.311 -0.715 1.00 0.00 C ATOM 999 NZ LYS A 65 18.038 -19.583 -0.557 1.00 0.00 N ATOM 0 H LYS A 65 13.787 -16.951 3.537 1.00 0.00 H new ATOM 0 HA LYS A 65 14.800 -14.956 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.151 -17.771 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.300 -17.007 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.234 -16.487 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.173 -16.261 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.194 -18.727 1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.259 -18.951 -0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.039 -18.160 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.908 -17.474 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.905 -19.544 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.290 -19.715 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.449 -20.380 -0.873 1.00 0.00 H new ATOM 1013 N LYS A 66 11.551 -15.484 1.981 1.00 0.00 N ATOM 1014 CA LYS A 66 10.243 -14.910 1.681 1.00 0.00 C ATOM 1015 C LYS A 66 10.069 -13.558 2.367 1.00 0.00 C ATOM 1016 O LYS A 66 9.378 -12.677 1.856 1.00 0.00 O ATOM 1017 CB LYS A 66 9.130 -15.863 2.121 1.00 0.00 C ATOM 1018 CG LYS A 66 9.104 -17.169 1.341 1.00 0.00 C ATOM 1019 CD LYS A 66 7.716 -17.467 0.795 1.00 0.00 C ATOM 1020 CE LYS A 66 7.378 -18.945 0.904 1.00 0.00 C ATOM 1021 NZ LYS A 66 6.422 -19.216 2.012 1.00 0.00 N ATOM 0 H LYS A 66 11.520 -16.326 2.555 1.00 0.00 H new ATOM 0 HA LYS A 66 10.181 -14.761 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.251 -16.085 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.168 -15.362 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.816 -17.116 0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.425 -17.986 1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.976 -16.883 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.660 -17.156 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.950 -19.290 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.293 -19.515 1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.217 -20.235 2.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.840 -18.911 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.539 -18.692 1.845 1.00 0.00 H new ATOM 1035 N LYS A 67 10.699 -13.402 3.527 1.00 0.00 N ATOM 1036 CA LYS A 67 10.610 -12.157 4.281 1.00 0.00 C ATOM 1037 C LYS A 67 11.506 -11.083 3.671 1.00 0.00 C ATOM 1038 O LYS A 67 11.210 -9.892 3.759 1.00 0.00 O ATOM 1039 CB LYS A 67 11.000 -12.394 5.741 1.00 0.00 C ATOM 1040 CG LYS A 67 9.822 -12.750 6.635 1.00 0.00 C ATOM 1041 CD LYS A 67 10.143 -13.927 7.543 1.00 0.00 C ATOM 1042 CE LYS A 67 9.309 -13.898 8.815 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.160 -13.871 10.036 1.00 0.00 N ATOM 0 H LYS A 67 11.276 -14.121 3.964 1.00 0.00 H new ATOM 0 HA LYS A 67 9.578 -11.809 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.736 -13.197 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.483 -11.497 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.550 -11.886 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.956 -12.991 6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.960 -14.859 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.202 -13.910 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.661 -13.021 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.660 -14.773 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.554 -13.852 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.760 -14.720 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.761 -13.022 10.022 1.00 0.00 H new ATOM 1057 N ALA A 68 12.602 -11.513 3.053 1.00 0.00 N ATOM 1058 CA ALA A 68 13.540 -10.586 2.430 1.00 0.00 C ATOM 1059 C ALA A 68 12.855 -9.747 1.356 1.00 0.00 C ATOM 1060 O ALA A 68 13.246 -8.609 1.101 1.00 0.00 O ATOM 1061 CB ALA A 68 14.716 -11.347 1.836 1.00 0.00 C ATOM 0 H ALA A 68 12.862 -12.496 2.970 1.00 0.00 H new ATOM 0 HA ALA A 68 13.909 -9.909 3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.409 -10.643 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.229 -11.897 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.354 -12.047 1.083 1.00 0.00 H new ATOM 1067 N LYS A 69 11.830 -10.317 0.730 1.00 0.00 N ATOM 1068 CA LYS A 69 11.091 -9.621 -0.316 1.00 0.00 C ATOM 1069 C LYS A 69 10.387 -8.388 0.240 1.00 0.00 C ATOM 1070 O LYS A 69 10.477 -7.300 -0.329 1.00 0.00 O ATOM 1071 CB LYS A 69 10.067 -10.560 -0.957 1.00 0.00 C ATOM 1072 CG LYS A 69 10.690 -11.631 -1.836 1.00 0.00 C ATOM 1073 CD LYS A 69 9.789 -11.985 -3.009 1.00 0.00 C ATOM 1074 CE LYS A 69 10.242 -11.299 -4.287 1.00 0.00 C ATOM 1075 NZ LYS A 69 11.489 -11.905 -4.831 1.00 0.00 N ATOM 0 H LYS A 69 11.493 -11.259 0.929 1.00 0.00 H new ATOM 0 HA LYS A 69 11.804 -9.298 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.485 -11.041 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.371 -9.971 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.653 -11.282 -2.208 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.882 -12.524 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.788 -13.065 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.764 -11.693 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.451 -11.364 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.409 -10.240 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.653 -11.554 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.294 -11.645 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.392 -12.940 -4.852 1.00 0.00 H new ATOM 1089 N TYR A 70 9.685 -8.565 1.354 1.00 0.00 N ATOM 1090 CA TYR A 70 8.963 -7.467 1.986 1.00 0.00 C ATOM 1091 C TYR A 70 9.923 -6.523 2.704 1.00 0.00 C ATOM 1092 O TYR A 70 9.748 -5.305 2.677 1.00 0.00 O ATOM 1093 CB TYR A 70 7.930 -8.011 2.975 1.00 0.00 C ATOM 1094 CG TYR A 70 6.959 -8.992 2.358 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.850 -8.547 1.650 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.153 -10.361 2.483 1.00 0.00 C ATOM 1097 CE1 TYR A 70 4.960 -9.441 1.084 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.267 -11.261 1.920 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.174 -10.796 1.222 1.00 0.00 C ATOM 1100 OH TYR A 70 4.289 -11.689 0.661 1.00 0.00 O ATOM 0 H TYR A 70 9.601 -9.459 1.838 1.00 0.00 H new ATOM 0 HA TYR A 70 8.449 -6.907 1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.450 -8.498 3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.371 -7.177 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.680 -7.486 1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.009 -10.729 3.029 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.102 -9.080 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.431 -12.323 2.027 1.00 0.00 H new ATOM 0 HH TYR A 70 4.584 -12.604 0.849 1.00 0.00 H new ATOM 1110 N LYS A 71 10.937 -7.093 3.346 1.00 0.00 N ATOM 1111 CA LYS A 71 11.925 -6.302 4.071 1.00 0.00 C ATOM 1112 C LYS A 71 12.655 -5.345 3.133 1.00 0.00 C ATOM 1113 O LYS A 71 13.094 -4.271 3.545 1.00 0.00 O ATOM 1114 CB LYS A 71 12.931 -7.220 4.767 1.00 0.00 C ATOM 1115 CG LYS A 71 12.566 -7.542 6.208 1.00 0.00 C ATOM 1116 CD LYS A 71 13.416 -8.676 6.758 1.00 0.00 C ATOM 1117 CE LYS A 71 12.716 -9.392 7.902 1.00 0.00 C ATOM 1118 NZ LYS A 71 13.684 -9.913 8.907 1.00 0.00 N ATOM 0 H LYS A 71 11.096 -8.100 3.379 1.00 0.00 H new ATOM 0 HA LYS A 71 11.400 -5.712 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.011 -8.150 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.914 -6.750 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.699 -6.654 6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.512 -7.815 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.635 -9.387 5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.371 -8.281 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.022 -8.707 8.388 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.125 -10.217 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.167 -10.394 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.331 -10.586 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.231 -9.123 9.304 1.00 0.00 H new ATOM 1132 N ALA A 72 12.781 -5.741 1.870 1.00 0.00 N ATOM 1133 CA ALA A 72 13.459 -4.917 0.876 1.00 0.00 C ATOM 1134 C ALA A 72 12.594 -3.731 0.464 1.00 0.00 C ATOM 1135 O ALA A 72 13.100 -2.633 0.230 1.00 0.00 O ATOM 1136 CB ALA A 72 13.825 -5.754 -0.341 1.00 0.00 C ATOM 0 H ALA A 72 12.423 -6.626 1.511 1.00 0.00 H new ATOM 0 HA ALA A 72 14.373 -4.528 1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.330 -5.127 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.488 -6.565 -0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.919 -6.171 -0.782 1.00 0.00 H new ATOM 1142 N ARG A 73 11.288 -3.959 0.375 1.00 0.00 N ATOM 1143 CA ARG A 73 10.352 -2.908 -0.010 1.00 0.00 C ATOM 1144 C ARG A 73 10.290 -1.814 1.051 1.00 0.00 C ATOM 1145 O ARG A 73 10.030 -0.651 0.743 1.00 0.00 O ATOM 1146 CB ARG A 73 8.959 -3.497 -0.234 1.00 0.00 C ATOM 1147 CG ARG A 73 8.881 -4.440 -1.423 1.00 0.00 C ATOM 1148 CD ARG A 73 7.902 -5.575 -1.172 1.00 0.00 C ATOM 1149 NE ARG A 73 7.274 -6.040 -2.406 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.566 -7.164 -2.501 1.00 0.00 C ATOM 1151 NH1 ARG A 73 6.392 -7.937 -1.437 1.00 0.00 N ATOM 1152 NH2 ARG A 73 6.031 -7.514 -3.663 1.00 0.00 N ATOM 0 H ARG A 73 10.853 -4.862 0.564 1.00 0.00 H new ATOM 0 HA ARG A 73 10.707 -2.464 -0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.651 -4.032 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.249 -2.683 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.576 -3.884 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.870 -4.850 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.424 -6.405 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.132 -5.242 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 73 7.384 -5.470 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.801 -7.671 -0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.849 -8.797 -1.515 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.162 -6.922 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.489 -8.375 -3.736 1.00 0.00 H new ATOM 1166 N GLU A 74 10.531 -2.194 2.302 1.00 0.00 N ATOM 1167 CA GLU A 74 10.502 -1.244 3.410 1.00 0.00 C ATOM 1168 C GLU A 74 11.497 -0.110 3.184 1.00 0.00 C ATOM 1169 O GLU A 74 11.284 1.015 3.637 1.00 0.00 O ATOM 1170 CB GLU A 74 10.814 -1.956 4.727 1.00 0.00 C ATOM 1171 CG GLU A 74 10.762 -1.043 5.940 1.00 0.00 C ATOM 1172 CD GLU A 74 12.139 -0.612 6.405 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.940 -1.493 6.783 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.415 0.606 6.392 1.00 0.00 O ATOM 0 H GLU A 74 10.749 -3.153 2.574 1.00 0.00 H new ATOM 0 HA GLU A 74 9.500 -0.818 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.104 -2.772 4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.806 -2.404 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.171 -0.159 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.252 -1.556 6.755 1.00 0.00 H new ATOM 1181 N ALA A 75 12.585 -0.412 2.482 1.00 0.00 N ATOM 1182 CA ALA A 75 13.612 0.583 2.197 1.00 0.00 C ATOM 1183 C ALA A 75 13.101 1.637 1.220 1.00 0.00 C ATOM 1184 O ALA A 75 13.524 2.792 1.261 1.00 0.00 O ATOM 1185 CB ALA A 75 14.860 -0.089 1.645 1.00 0.00 C ATOM 0 H ALA A 75 12.778 -1.338 2.100 1.00 0.00 H new ATOM 0 HA ALA A 75 13.865 1.084 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.618 0.666 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.246 -0.798 2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.612 -0.617 0.724 1.00 0.00 H new ATOM 1191 N ALA A 76 12.190 1.231 0.341 1.00 0.00 N ATOM 1192 CA ALA A 76 11.624 2.141 -0.647 1.00 0.00 C ATOM 1193 C ALA A 76 10.317 2.749 -0.151 1.00 0.00 C ATOM 1194 O ALA A 76 9.975 3.879 -0.499 1.00 0.00 O ATOM 1195 CB ALA A 76 11.403 1.415 -1.966 1.00 0.00 C ATOM 0 H ALA A 76 11.829 0.278 0.293 1.00 0.00 H new ATOM 0 HA ALA A 76 12.334 2.953 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.980 2.106 -2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.355 1.035 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.715 0.583 -1.813 1.00 0.00 H new ATOM 1201 N LEU A 77 9.589 1.992 0.663 1.00 0.00 N ATOM 1202 CA LEU A 77 8.317 2.457 1.206 1.00 0.00 C ATOM 1203 C LEU A 77 8.539 3.507 2.291 1.00 0.00 C ATOM 1204 O LEU A 77 7.776 4.467 2.404 1.00 0.00 O ATOM 1205 CB LEU A 77 7.519 1.282 1.772 1.00 0.00 C ATOM 1206 CG LEU A 77 6.939 0.329 0.725 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.262 -0.854 1.400 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.961 1.062 -0.179 1.00 0.00 C ATOM 0 H LEU A 77 9.857 1.054 0.961 1.00 0.00 H new ATOM 0 HA LEU A 77 7.750 2.914 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.164 0.713 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.701 1.675 2.376 1.00 0.00 H new ATOM 0 HG LEU A 77 7.756 -0.048 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.855 -1.522 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.991 -1.394 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.455 -0.495 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.558 0.369 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.146 1.468 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.477 1.876 -0.689 1.00 0.00 H new ATOM 1220 N LYS A 78 9.585 3.316 3.087 1.00 0.00 N ATOM 1221 CA LYS A 78 9.905 4.246 4.165 1.00 0.00 C ATOM 1222 C LYS A 78 10.174 5.644 3.615 1.00 0.00 C ATOM 1223 O LYS A 78 9.815 6.645 4.235 1.00 0.00 O ATOM 1224 CB LYS A 78 11.121 3.752 4.951 1.00 0.00 C ATOM 1225 CG LYS A 78 11.281 4.420 6.307 1.00 0.00 C ATOM 1226 CD LYS A 78 12.553 3.966 7.008 1.00 0.00 C ATOM 1227 CE LYS A 78 12.252 3.347 8.364 1.00 0.00 C ATOM 1228 NZ LYS A 78 12.499 4.303 9.478 1.00 0.00 N ATOM 0 H LYS A 78 10.226 2.526 3.007 1.00 0.00 H new ATOM 0 HA LYS A 78 9.046 4.297 4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.038 2.675 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.020 3.927 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.301 5.502 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.418 4.188 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.075 3.241 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.223 4.817 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.213 3.019 8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.870 2.460 8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.282 3.843 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.497 4.597 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.891 5.138 9.360 1.00 0.00 H new