USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 402 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 Single : A 20 THR OG1 : rot 26:sc= 0.0565 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 179:sc= 0.377 USER MOD Single : A 41 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.4!) USER MOD Single : A 44 TYR OH : rot -138:sc= 1.09 USER MOD Single : A 45 CYS SG : rot 9:sc= -0.49 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.032 X(o=-0.032,f=-0.032) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 63 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-1.3) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -140:sc= 0.0931 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.044 -6.650 1.369 1.00 0.00 N ATOM 272 CA THR A 20 -3.995 -5.629 0.946 1.00 0.00 C ATOM 273 C THR A 20 -3.774 -5.241 -0.511 1.00 0.00 C ATOM 274 O THR A 20 -2.842 -4.503 -0.833 1.00 0.00 O ATOM 275 CB THR A 20 -3.891 -4.367 1.824 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.110 -4.706 3.198 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.903 -3.319 1.387 1.00 0.00 C ATOM 0 HA THR A 20 -4.991 -6.059 1.057 1.00 0.00 H new ATOM 0 HB THR A 20 -2.890 -3.952 1.708 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.877 -5.647 3.344 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.811 -2.437 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.714 -3.041 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.910 -3.726 1.476 1.00 0.00 H new ATOM 285 N VAL A 21 -4.636 -5.742 -1.390 1.00 0.00 N ATOM 286 CA VAL A 21 -4.536 -5.446 -2.814 1.00 0.00 C ATOM 287 C VAL A 21 -5.521 -4.355 -3.219 1.00 0.00 C ATOM 288 O VAL A 21 -6.634 -4.284 -2.698 1.00 0.00 O ATOM 289 CB VAL A 21 -4.797 -6.701 -3.668 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.706 -6.367 -5.149 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.820 -7.807 -3.301 1.00 0.00 C ATOM 0 H VAL A 21 -5.412 -6.355 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.519 -5.098 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.807 -7.057 -3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.893 -7.266 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.449 -5.609 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.710 -5.986 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.019 -8.686 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.800 -7.465 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.940 -8.064 -2.249 1.00 0.00 H new ATOM 301 N VAL A 22 -5.103 -3.505 -4.152 1.00 0.00 N ATOM 302 CA VAL A 22 -5.949 -2.417 -4.629 1.00 0.00 C ATOM 303 C VAL A 22 -5.838 -2.258 -6.141 1.00 0.00 C ATOM 304 O VAL A 22 -4.749 -2.356 -6.707 1.00 0.00 O ATOM 305 CB VAL A 22 -5.581 -1.083 -3.954 1.00 0.00 C ATOM 306 CG1 VAL A 22 -6.108 -1.042 -2.528 1.00 0.00 C ATOM 307 CG2 VAL A 22 -4.074 -0.871 -3.980 1.00 0.00 C ATOM 0 H VAL A 22 -4.184 -3.549 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.975 -2.676 -4.368 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.049 -0.272 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.838 -0.092 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.193 -1.145 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.671 -1.860 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.832 0.077 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.583 -1.685 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.727 -0.853 -5.013 1.00 0.00 H new ATOM 317 N ILE A 23 -6.971 -2.010 -6.789 1.00 0.00 N ATOM 318 CA ILE A 23 -7.001 -1.835 -8.236 1.00 0.00 C ATOM 319 C ILE A 23 -7.150 -0.364 -8.608 1.00 0.00 C ATOM 320 O ILE A 23 -7.816 0.399 -7.909 1.00 0.00 O ATOM 321 CB ILE A 23 -8.151 -2.635 -8.876 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.207 -4.047 -8.291 1.00 0.00 C ATOM 323 CG2 ILE A 23 -7.981 -2.688 -10.387 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.098 -4.162 -7.073 1.00 0.00 C ATOM 0 H ILE A 23 -7.880 -1.926 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.052 -2.210 -8.620 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.092 -2.133 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.563 -4.735 -9.058 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.198 -4.361 -8.024 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.801 -3.257 -10.826 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.986 -1.675 -10.789 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.034 -3.170 -10.630 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.090 -5.190 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.731 -3.499 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.116 -3.879 -7.339 1.00 0.00 H new ATOM 336 N ALA A 24 -6.528 0.027 -9.716 1.00 0.00 N ATOM 337 CA ALA A 24 -6.594 1.405 -10.184 1.00 0.00 C ATOM 338 C ALA A 24 -7.785 1.612 -11.114 1.00 0.00 C ATOM 339 O ALA A 24 -7.934 0.908 -12.114 1.00 0.00 O ATOM 340 CB ALA A 24 -5.300 1.787 -10.886 1.00 0.00 C ATOM 0 H ALA A 24 -5.972 -0.592 -10.306 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.727 2.051 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.364 2.819 -11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.466 1.687 -10.191 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.141 1.129 -11.740 1.00 0.00 H new ATOM 346 N LEU A 25 -8.631 2.580 -10.779 1.00 0.00 N ATOM 347 CA LEU A 25 -9.809 2.879 -11.585 1.00 0.00 C ATOM 348 C LEU A 25 -9.411 3.451 -12.942 1.00 0.00 C ATOM 349 O LEU A 25 -10.082 3.216 -13.947 1.00 0.00 O ATOM 350 CB LEU A 25 -10.717 3.866 -10.849 1.00 0.00 C ATOM 351 CG LEU A 25 -11.179 3.442 -9.454 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.523 4.661 -8.613 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.372 2.503 -9.550 1.00 0.00 C ATOM 0 H LEU A 25 -8.523 3.171 -9.955 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.352 1.948 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.191 4.817 -10.762 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.599 4.044 -11.463 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.362 2.909 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.850 4.340 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.643 5.296 -8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.324 5.222 -9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.687 2.212 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.194 3.009 -10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.091 1.614 -10.115 1.00 0.00 H new ATOM 365 N TYR A 26 -8.314 4.200 -12.963 1.00 0.00 N ATOM 366 CA TYR A 26 -7.826 4.805 -14.196 1.00 0.00 C ATOM 367 C TYR A 26 -6.330 4.558 -14.369 1.00 0.00 C ATOM 368 O TYR A 26 -5.663 4.057 -13.464 1.00 0.00 O ATOM 369 CB TYR A 26 -8.110 6.308 -14.198 1.00 0.00 C ATOM 370 CG TYR A 26 -9.403 6.681 -13.509 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.451 6.867 -12.133 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.576 6.849 -14.234 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.631 7.207 -11.499 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.760 7.190 -13.610 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.782 7.368 -12.242 1.00 0.00 C ATOM 376 OH TYR A 26 -12.959 7.708 -11.615 1.00 0.00 O ATOM 0 H TYR A 26 -7.746 4.402 -12.140 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.351 4.342 -15.031 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.285 6.826 -13.709 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.142 6.662 -15.228 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.551 6.744 -11.549 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.562 6.710 -15.305 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.652 7.346 -10.428 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.663 7.316 -14.189 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.674 7.783 -12.281 1.00 0.00 H new ATOM 386 N ASP A 27 -5.810 4.915 -15.538 1.00 0.00 N ATOM 387 CA ASP A 27 -4.393 4.735 -15.832 1.00 0.00 C ATOM 388 C ASP A 27 -3.609 6.007 -15.526 1.00 0.00 C ATOM 389 O ASP A 27 -3.162 6.707 -16.435 1.00 0.00 O ATOM 390 CB ASP A 27 -4.200 4.342 -17.297 1.00 0.00 C ATOM 391 CG ASP A 27 -5.170 5.052 -18.220 1.00 0.00 C ATOM 392 OD1 ASP A 27 -5.306 6.288 -18.101 1.00 0.00 O ATOM 393 OD2 ASP A 27 -5.793 4.372 -19.062 1.00 0.00 O ATOM 0 H ASP A 27 -6.349 5.331 -16.298 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.014 3.934 -15.197 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.179 4.573 -17.601 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.327 3.264 -17.401 1.00 0.00 H new ATOM 398 N TYR A 28 -3.446 6.301 -14.241 1.00 0.00 N ATOM 399 CA TYR A 28 -2.719 7.491 -13.815 1.00 0.00 C ATOM 400 C TYR A 28 -1.439 7.667 -14.626 1.00 0.00 C ATOM 401 O TYR A 28 -0.819 6.690 -15.045 1.00 0.00 O ATOM 402 CB TYR A 28 -2.384 7.404 -12.325 1.00 0.00 C ATOM 403 CG TYR A 28 -1.636 8.609 -11.801 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.100 9.897 -12.038 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.465 8.459 -11.068 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.418 11.000 -11.562 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.222 9.556 -10.587 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.258 10.825 -10.837 1.00 0.00 C ATOM 409 OH TYR A 28 0.423 11.921 -10.359 1.00 0.00 O ATOM 0 H TYR A 28 -3.808 5.731 -13.476 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.358 8.357 -13.987 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.308 7.287 -11.760 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.786 6.510 -12.147 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.009 10.038 -12.604 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.086 7.467 -10.871 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.791 11.995 -11.757 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.130 9.421 -10.018 1.00 0.00 H new ATOM 0 HH TYR A 28 1.209 11.623 -9.855 1.00 0.00 H new ATOM 507 N GLU A 35 6.714 9.204 -7.846 1.00 0.00 N ATOM 508 CA GLU A 35 5.380 8.642 -8.021 1.00 0.00 C ATOM 509 C GLU A 35 5.365 7.620 -9.154 1.00 0.00 C ATOM 510 O GLU A 35 6.182 7.683 -10.073 1.00 0.00 O ATOM 511 CB GLU A 35 4.368 9.753 -8.307 1.00 0.00 C ATOM 512 CG GLU A 35 4.551 10.983 -7.435 1.00 0.00 C ATOM 513 CD GLU A 35 3.898 12.219 -8.023 1.00 0.00 C ATOM 514 OE1 GLU A 35 2.924 12.067 -8.790 1.00 0.00 O ATOM 515 OE2 GLU A 35 4.362 13.337 -7.717 1.00 0.00 O ATOM 0 HA GLU A 35 5.102 8.137 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.448 10.045 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.361 9.362 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.131 10.790 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.616 11.170 -7.297 1.00 0.00 H new ATOM 522 N LEU A 36 4.429 6.680 -9.082 1.00 0.00 N ATOM 523 CA LEU A 36 4.306 5.643 -10.101 1.00 0.00 C ATOM 524 C LEU A 36 3.064 5.867 -10.958 1.00 0.00 C ATOM 525 O LEU A 36 2.079 6.446 -10.502 1.00 0.00 O ATOM 526 CB LEU A 36 4.246 4.262 -9.446 1.00 0.00 C ATOM 527 CG LEU A 36 4.105 3.073 -10.398 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.474 2.557 -10.813 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.289 1.965 -9.750 1.00 0.00 C ATOM 0 H LEU A 36 3.744 6.614 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 36 5.184 5.695 -10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.151 4.123 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.406 4.247 -8.752 1.00 0.00 H new ATOM 0 HG LEU A 36 3.579 3.408 -11.292 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.354 1.711 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.024 3.351 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.026 2.238 -9.929 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.199 1.127 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.787 1.632 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.296 2.341 -9.504 1.00 0.00 H new ATOM 541 N ALA A 37 3.119 5.402 -12.202 1.00 0.00 N ATOM 542 CA ALA A 37 1.997 5.547 -13.121 1.00 0.00 C ATOM 543 C ALA A 37 1.097 4.317 -13.088 1.00 0.00 C ATOM 544 O ALA A 37 1.403 3.294 -13.700 1.00 0.00 O ATOM 545 CB ALA A 37 2.503 5.795 -14.535 1.00 0.00 C ATOM 0 H ALA A 37 3.928 4.922 -12.596 1.00 0.00 H new ATOM 0 HA ALA A 37 1.406 6.405 -12.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.655 5.901 -15.211 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.099 6.708 -14.553 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.118 4.954 -14.854 1.00 0.00 H new ATOM 551 N LEU A 38 -0.015 4.423 -12.368 1.00 0.00 N ATOM 552 CA LEU A 38 -0.961 3.319 -12.254 1.00 0.00 C ATOM 553 C LEU A 38 -1.532 2.948 -13.619 1.00 0.00 C ATOM 554 O LEU A 38 -1.451 3.726 -14.569 1.00 0.00 O ATOM 555 CB LEU A 38 -2.096 3.690 -11.297 1.00 0.00 C ATOM 556 CG LEU A 38 -1.718 3.800 -9.820 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.751 4.623 -9.065 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.580 2.417 -9.200 1.00 0.00 C ATOM 0 H LEU A 38 -0.283 5.263 -11.855 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.427 2.455 -11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.516 4.644 -11.616 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.885 2.945 -11.395 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.756 4.306 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.466 4.691 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.802 5.624 -9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.727 4.144 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.311 2.515 -8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.527 1.885 -9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.803 1.860 -9.723 1.00 0.00 H new ATOM 570 N ARG A 39 -2.112 1.755 -13.708 1.00 0.00 N ATOM 571 CA ARG A 39 -2.697 1.281 -14.956 1.00 0.00 C ATOM 572 C ARG A 39 -4.170 0.928 -14.766 1.00 0.00 C ATOM 573 O ARG A 39 -4.571 0.445 -13.707 1.00 0.00 O ATOM 574 CB ARG A 39 -1.932 0.061 -15.472 1.00 0.00 C ATOM 575 CG ARG A 39 -2.520 -0.534 -16.741 1.00 0.00 C ATOM 576 CD ARG A 39 -1.941 0.123 -17.985 1.00 0.00 C ATOM 577 NE ARG A 39 -2.604 -0.333 -19.204 1.00 0.00 N ATOM 578 CZ ARG A 39 -2.238 0.043 -20.424 1.00 0.00 C ATOM 579 NH1 ARG A 39 -1.219 0.875 -20.587 1.00 0.00 N ATOM 580 NH2 ARG A 39 -2.891 -0.415 -21.484 1.00 0.00 N ATOM 0 H ARG A 39 -2.189 1.099 -12.930 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.625 2.084 -15.690 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.896 0.345 -15.660 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.917 -0.703 -14.695 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.321 -1.605 -16.768 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.603 -0.411 -16.734 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.039 1.205 -17.902 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.875 -0.097 -18.048 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.391 -0.975 -19.113 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.714 1.228 -19.774 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.940 1.162 -21.525 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.675 -1.056 -21.362 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.609 -0.126 -22.421 1.00 0.00 H new ATOM 594 N ARG A 40 -4.970 1.174 -15.798 1.00 0.00 N ATOM 595 CA ARG A 40 -6.398 0.884 -15.744 1.00 0.00 C ATOM 596 C ARG A 40 -6.643 -0.617 -15.620 1.00 0.00 C ATOM 597 O ARG A 40 -6.097 -1.411 -16.385 1.00 0.00 O ATOM 598 CB ARG A 40 -7.097 1.424 -16.993 1.00 0.00 C ATOM 599 CG ARG A 40 -8.597 1.179 -17.005 1.00 0.00 C ATOM 600 CD ARG A 40 -9.291 2.026 -18.060 1.00 0.00 C ATOM 601 NE ARG A 40 -10.551 1.430 -18.498 1.00 0.00 N ATOM 602 CZ ARG A 40 -11.525 2.118 -19.083 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.385 3.419 -19.300 1.00 0.00 N ATOM 604 NH2 ARG A 40 -12.642 1.505 -19.454 1.00 0.00 N ATOM 0 H ARG A 40 -4.654 1.573 -16.682 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.811 1.376 -14.863 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.912 2.496 -17.068 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.655 0.961 -17.875 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.793 0.124 -17.197 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.012 1.407 -16.023 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.481 3.021 -17.658 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.630 2.149 -18.918 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.690 0.431 -18.346 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.528 3.894 -19.017 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.135 3.945 -19.749 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.753 0.504 -19.290 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.389 2.034 -19.903 1.00 0.00 H new ATOM 618 N ASN A 41 -7.468 -0.998 -14.650 1.00 0.00 N ATOM 619 CA ASN A 41 -7.785 -2.404 -14.425 1.00 0.00 C ATOM 620 C ASN A 41 -6.536 -3.187 -14.031 1.00 0.00 C ATOM 621 O ASN A 41 -6.322 -4.306 -14.495 1.00 0.00 O ATOM 622 CB ASN A 41 -8.408 -3.016 -15.682 1.00 0.00 C ATOM 623 CG ASN A 41 -9.915 -2.850 -15.719 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.524 -2.386 -14.755 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.525 -3.229 -16.836 1.00 0.00 N ATOM 0 H ASN A 41 -7.929 -0.353 -14.008 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.503 -2.462 -13.607 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.972 -2.549 -16.565 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.161 -4.077 -15.728 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.538 -3.141 -16.919 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.981 -3.608 -17.611 1.00 0.00 H new ATOM 632 N GLU A 42 -5.717 -2.590 -13.171 1.00 0.00 N ATOM 633 CA GLU A 42 -4.490 -3.232 -12.714 1.00 0.00 C ATOM 634 C GLU A 42 -4.403 -3.218 -11.191 1.00 0.00 C ATOM 635 O GLU A 42 -4.597 -2.181 -10.558 1.00 0.00 O ATOM 636 CB GLU A 42 -3.268 -2.531 -13.313 1.00 0.00 C ATOM 637 CG GLU A 42 -2.832 -3.103 -14.651 1.00 0.00 C ATOM 638 CD GLU A 42 -2.796 -4.619 -14.652 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.210 -5.199 -13.713 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.351 -5.226 -15.591 1.00 0.00 O ATOM 0 H GLU A 42 -5.881 -1.664 -12.777 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.506 -4.269 -13.050 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.492 -1.471 -13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.438 -2.602 -12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.514 -2.759 -15.429 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.843 -2.719 -14.901 1.00 0.00 H new ATOM 647 N GLU A 43 -4.109 -4.377 -10.610 1.00 0.00 N ATOM 648 CA GLU A 43 -3.998 -4.498 -9.162 1.00 0.00 C ATOM 649 C GLU A 43 -2.622 -4.046 -8.682 1.00 0.00 C ATOM 650 O GLU A 43 -1.663 -4.013 -9.454 1.00 0.00 O ATOM 651 CB GLU A 43 -4.251 -5.944 -8.727 1.00 0.00 C ATOM 652 CG GLU A 43 -5.575 -6.504 -9.221 1.00 0.00 C ATOM 653 CD GLU A 43 -5.474 -7.099 -10.612 1.00 0.00 C ATOM 654 OE1 GLU A 43 -4.585 -7.947 -10.832 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.285 -6.715 -11.481 1.00 0.00 O ATOM 0 H GLU A 43 -3.944 -5.245 -11.120 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.752 -3.853 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.440 -6.573 -9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.227 -5.997 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.923 -7.269 -8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.323 -5.711 -9.223 1.00 0.00 H new ATOM 662 N TYR A 44 -2.533 -3.697 -7.403 1.00 0.00 N ATOM 663 CA TYR A 44 -1.276 -3.243 -6.821 1.00 0.00 C ATOM 664 C TYR A 44 -1.220 -3.562 -5.330 1.00 0.00 C ATOM 665 O TYR A 44 -2.143 -3.242 -4.580 1.00 0.00 O ATOM 666 CB TYR A 44 -1.102 -1.739 -7.039 1.00 0.00 C ATOM 667 CG TYR A 44 -0.820 -1.364 -8.476 1.00 0.00 C ATOM 668 CD1 TYR A 44 -1.853 -1.230 -9.395 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.480 -1.146 -8.915 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.600 -0.888 -10.709 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.742 -0.802 -10.228 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.301 -0.675 -11.121 1.00 0.00 C ATOM 673 OH TYR A 44 -0.044 -0.334 -12.429 1.00 0.00 O ATOM 0 H TYR A 44 -3.316 -3.720 -6.750 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.463 -3.772 -7.318 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.005 -1.226 -6.709 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.285 -1.382 -6.412 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.872 -1.396 -9.077 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.300 -1.247 -8.219 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.415 -0.788 -11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.758 -0.634 -10.553 1.00 0.00 H new ATOM 0 HH TYR A 44 0.745 -0.821 -12.745 1.00 0.00 H new ATOM 683 N CYS A 45 -0.131 -4.194 -4.907 1.00 0.00 N ATOM 684 CA CYS A 45 0.048 -4.557 -3.506 1.00 0.00 C ATOM 685 C CYS A 45 0.344 -3.324 -2.658 1.00 0.00 C ATOM 686 O CYS A 45 1.207 -2.515 -3.001 1.00 0.00 O ATOM 687 CB CYS A 45 1.180 -5.575 -3.361 1.00 0.00 C ATOM 688 SG CYS A 45 2.825 -4.835 -3.228 1.00 0.00 S ATOM 0 H CYS A 45 0.642 -4.466 -5.515 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.880 -5.005 -3.151 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.995 -6.185 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.163 -6.246 -4.220 1.00 0.00 H new ATOM 0 HG CYS A 45 2.712 -3.546 -3.103 1.00 0.00 H new ATOM 694 N LEU A 46 -0.378 -3.187 -1.551 1.00 0.00 N ATOM 695 CA LEU A 46 -0.193 -2.051 -0.654 1.00 0.00 C ATOM 696 C LEU A 46 1.035 -2.249 0.229 1.00 0.00 C ATOM 697 O LEU A 46 1.014 -3.042 1.172 1.00 0.00 O ATOM 698 CB LEU A 46 -1.436 -1.857 0.217 1.00 0.00 C ATOM 699 CG LEU A 46 -1.394 -0.682 1.193 1.00 0.00 C ATOM 700 CD1 LEU A 46 -1.142 0.621 0.450 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.690 -0.602 1.988 1.00 0.00 C ATOM 0 H LEU A 46 -1.096 -3.847 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.040 -1.160 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.298 -1.729 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.602 -2.771 0.787 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.572 -0.844 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.115 1.446 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.188 0.563 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.942 0.789 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.642 0.240 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.528 -0.464 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.829 -1.525 2.551 1.00 0.00 H new ATOM 713 N LEU A 47 2.102 -1.521 -0.080 1.00 0.00 N ATOM 714 CA LEU A 47 3.340 -1.614 0.687 1.00 0.00 C ATOM 715 C LEU A 47 3.218 -0.863 2.009 1.00 0.00 C ATOM 716 O LEU A 47 3.188 -1.472 3.079 1.00 0.00 O ATOM 717 CB LEU A 47 4.509 -1.054 -0.125 1.00 0.00 C ATOM 718 CG LEU A 47 4.781 -1.735 -1.467 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.719 -0.889 -2.314 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.362 -3.125 -1.251 1.00 0.00 C ATOM 0 H LEU A 47 2.135 -0.860 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 47 3.527 -2.666 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.324 0.004 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.412 -1.119 0.482 1.00 0.00 H new ATOM 0 HG LEU A 47 3.836 -1.837 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.901 -1.389 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.265 0.085 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.664 -0.755 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.549 -3.595 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.298 -3.046 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.655 -3.731 -0.684 1.00 0.00 H new ATOM 732 N ASP A 48 3.147 0.461 1.928 1.00 0.00 N ATOM 733 CA ASP A 48 3.025 1.295 3.118 1.00 0.00 C ATOM 734 C ASP A 48 2.004 2.407 2.900 1.00 0.00 C ATOM 735 O ASP A 48 2.052 3.119 1.897 1.00 0.00 O ATOM 736 CB ASP A 48 4.382 1.896 3.486 1.00 0.00 C ATOM 737 CG ASP A 48 5.229 0.950 4.314 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.000 0.866 5.539 1.00 0.00 O ATOM 739 OD2 ASP A 48 6.120 0.293 3.738 1.00 0.00 O ATOM 0 H ASP A 48 3.172 0.980 1.050 1.00 0.00 H new ATOM 0 HA ASP A 48 2.680 0.666 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.920 2.157 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.228 2.821 4.041 1.00 0.00 H new ATOM 744 N SER A 49 1.081 2.550 3.845 1.00 0.00 N ATOM 745 CA SER A 49 0.045 3.572 3.754 1.00 0.00 C ATOM 746 C SER A 49 0.312 4.705 4.741 1.00 0.00 C ATOM 747 O SER A 49 -0.618 5.326 5.256 1.00 0.00 O ATOM 748 CB SER A 49 -1.331 2.960 4.023 1.00 0.00 C ATOM 749 OG SER A 49 -1.395 2.401 5.323 1.00 0.00 O ATOM 0 H SER A 49 1.029 1.971 4.683 1.00 0.00 H new ATOM 0 HA SER A 49 0.061 3.981 2.744 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.100 3.725 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.541 2.189 3.282 1.00 0.00 H new ATOM 0 HG SER A 49 -2.285 2.018 5.471 1.00 0.00 H new ATOM 755 N SER A 50 1.589 4.968 4.999 1.00 0.00 N ATOM 756 CA SER A 50 1.979 6.023 5.927 1.00 0.00 C ATOM 757 C SER A 50 1.145 7.280 5.703 1.00 0.00 C ATOM 758 O SER A 50 0.612 7.861 6.648 1.00 0.00 O ATOM 759 CB SER A 50 3.466 6.348 5.767 1.00 0.00 C ATOM 760 OG SER A 50 3.988 6.941 6.943 1.00 0.00 O ATOM 0 H SER A 50 2.371 4.465 4.579 1.00 0.00 H new ATOM 0 HA SER A 50 1.799 5.665 6.941 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.018 5.436 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.605 7.023 4.923 1.00 0.00 H new ATOM 0 HG SER A 50 4.940 7.137 6.816 1.00 0.00 H new ATOM 766 N GLU A 51 1.037 7.694 4.444 1.00 0.00 N ATOM 767 CA GLU A 51 0.268 8.883 4.095 1.00 0.00 C ATOM 768 C GLU A 51 -1.192 8.528 3.826 1.00 0.00 C ATOM 769 O GLU A 51 -1.582 7.363 3.905 1.00 0.00 O ATOM 770 CB GLU A 51 0.873 9.567 2.867 1.00 0.00 C ATOM 771 CG GLU A 51 1.953 10.580 3.205 1.00 0.00 C ATOM 772 CD GLU A 51 1.388 11.945 3.544 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.216 12.012 3.972 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.115 12.947 3.381 1.00 0.00 O ATOM 0 H GLU A 51 1.472 7.224 3.650 1.00 0.00 H new ATOM 0 HA GLU A 51 0.307 9.570 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.293 8.807 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.079 10.067 2.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.538 10.214 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.635 10.673 2.360 1.00 0.00 H new ATOM 781 N ILE A 52 -1.992 9.540 3.508 1.00 0.00 N ATOM 782 CA ILE A 52 -3.407 9.335 3.227 1.00 0.00 C ATOM 783 C ILE A 52 -3.709 9.540 1.746 1.00 0.00 C ATOM 784 O ILE A 52 -4.287 8.671 1.093 1.00 0.00 O ATOM 785 CB ILE A 52 -4.290 10.286 4.056 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.026 10.090 5.550 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.760 10.058 3.737 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.605 11.188 6.415 1.00 0.00 C ATOM 0 H ILE A 52 -1.684 10.510 3.439 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.637 8.306 3.503 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.037 11.313 3.794 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.445 9.133 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.950 10.036 5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.371 10.738 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.936 10.244 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.028 9.028 3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.380 10.984 7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.168 12.145 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.686 11.228 6.278 1.00 0.00 H new ATOM 800 N HIS A 53 -3.311 10.695 1.222 1.00 0.00 N ATOM 801 CA HIS A 53 -3.536 11.014 -0.184 1.00 0.00 C ATOM 802 C HIS A 53 -2.554 10.261 -1.076 1.00 0.00 C ATOM 803 O HIS A 53 -2.846 9.983 -2.240 1.00 0.00 O ATOM 804 CB HIS A 53 -3.402 12.519 -0.415 1.00 0.00 C ATOM 805 CG HIS A 53 -4.058 13.348 0.646 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.425 13.503 0.743 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.526 14.070 1.660 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.706 14.285 1.770 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.571 14.642 2.344 1.00 0.00 N ATOM 0 H HIS A 53 -2.832 11.425 1.749 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.548 10.703 -0.444 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.344 12.778 -0.465 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.838 12.770 -1.382 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.476 14.176 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.695 14.582 2.086 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.485 15.245 3.162 1.00 0.00 H new ATOM 818 N TRP A 54 -1.392 9.934 -0.524 1.00 0.00 N ATOM 819 CA TRP A 54 -0.366 9.214 -1.270 1.00 0.00 C ATOM 820 C TRP A 54 -0.082 7.858 -0.635 1.00 0.00 C ATOM 821 O TRP A 54 0.288 7.776 0.536 1.00 0.00 O ATOM 822 CB TRP A 54 0.920 10.040 -1.337 1.00 0.00 C ATOM 823 CG TRP A 54 0.703 11.438 -1.830 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.886 12.593 -1.125 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.260 11.828 -3.135 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.584 13.678 -1.913 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.198 13.235 -3.151 1.00 0.00 C ATOM 828 CE3 TRP A 54 -0.088 11.125 -4.292 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.199 13.950 -4.278 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.482 11.836 -5.410 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.534 13.236 -5.397 1.00 0.00 C ATOM 0 H TRP A 54 -1.136 10.156 0.438 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.736 9.049 -2.282 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.371 10.078 -0.345 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.632 9.538 -1.992 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.219 12.646 -0.099 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.638 14.654 -1.623 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.050 10.046 -4.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.241 15.029 -4.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.754 11.303 -6.309 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.845 13.762 -6.287 1.00 0.00 H new ATOM 842 N TRP A 55 -0.256 6.796 -1.414 1.00 0.00 N ATOM 843 CA TRP A 55 -0.017 5.443 -0.926 1.00 0.00 C ATOM 844 C TRP A 55 1.101 4.769 -1.714 1.00 0.00 C ATOM 845 O TRP A 55 1.233 4.975 -2.920 1.00 0.00 O ATOM 846 CB TRP A 55 -1.298 4.611 -1.020 1.00 0.00 C ATOM 847 CG TRP A 55 -2.226 4.816 0.138 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.019 5.621 1.222 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.506 4.205 0.329 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.094 5.547 2.075 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.020 4.685 1.550 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.270 3.300 -0.413 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.260 4.289 2.042 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.501 2.908 0.078 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.987 3.402 1.295 1.00 0.00 C ATOM 0 H TRP A 55 -0.562 6.846 -2.386 1.00 0.00 H new ATOM 0 HA TRP A 55 0.289 5.509 0.118 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.820 4.863 -1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.033 3.555 -1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.140 6.227 1.385 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.187 6.052 2.956 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.905 2.914 -1.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.636 4.668 2.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.099 2.208 -0.487 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.954 3.077 1.651 1.00 0.00 H new ATOM 866 N ARG A 56 1.902 3.963 -1.025 1.00 0.00 N ATOM 867 CA ARG A 56 3.009 3.260 -1.662 1.00 0.00 C ATOM 868 C ARG A 56 2.602 1.841 -2.047 1.00 0.00 C ATOM 869 O ARG A 56 2.255 1.029 -1.190 1.00 0.00 O ATOM 870 CB ARG A 56 4.220 3.219 -0.727 1.00 0.00 C ATOM 871 CG ARG A 56 5.523 2.884 -1.434 1.00 0.00 C ATOM 872 CD ARG A 56 6.600 2.463 -0.446 1.00 0.00 C ATOM 873 NE ARG A 56 7.937 2.540 -1.028 1.00 0.00 N ATOM 874 CZ ARG A 56 9.055 2.423 -0.320 1.00 0.00 C ATOM 875 NH1 ARG A 56 8.996 2.223 0.990 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.235 2.504 -0.922 1.00 0.00 N ATOM 0 H ARG A 56 1.805 3.781 -0.026 1.00 0.00 H new ATOM 0 HA ARG A 56 3.277 3.801 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.322 4.186 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.040 2.481 0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.353 2.082 -2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.865 3.751 -1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.552 3.101 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.408 1.443 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 56 8.017 2.692 -2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.091 2.159 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.856 2.133 1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.284 2.656 -1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.093 2.414 -0.377 1.00 0.00 H new ATOM 890 N VAL A 57 2.647 1.549 -3.343 1.00 0.00 N ATOM 891 CA VAL A 57 2.284 0.229 -3.843 1.00 0.00 C ATOM 892 C VAL A 57 3.309 -0.279 -4.850 1.00 0.00 C ATOM 893 O VAL A 57 4.145 0.482 -5.337 1.00 0.00 O ATOM 894 CB VAL A 57 0.893 0.242 -4.505 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.152 0.783 -3.542 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.922 1.061 -5.787 1.00 0.00 C ATOM 0 H VAL A 57 2.932 2.210 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 57 2.262 -0.440 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 57 0.621 -0.782 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.128 0.785 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.189 0.152 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.111 1.801 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.069 1.060 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.215 2.086 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.641 0.625 -6.481 1.00 0.00 H new ATOM 906 N GLN A 58 3.239 -1.570 -5.158 1.00 0.00 N ATOM 907 CA GLN A 58 4.163 -2.180 -6.107 1.00 0.00 C ATOM 908 C GLN A 58 3.410 -2.772 -7.294 1.00 0.00 C ATOM 909 O GLN A 58 2.339 -3.358 -7.134 1.00 0.00 O ATOM 910 CB GLN A 58 4.991 -3.267 -5.420 1.00 0.00 C ATOM 911 CG GLN A 58 6.168 -3.752 -6.250 1.00 0.00 C ATOM 912 CD GLN A 58 7.061 -4.713 -5.491 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.127 -5.901 -5.811 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.754 -4.205 -4.480 1.00 0.00 N ATOM 0 H GLN A 58 2.552 -2.214 -4.764 1.00 0.00 H new ATOM 0 HA GLN A 58 4.833 -1.402 -6.475 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.361 -2.883 -4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.345 -4.114 -5.192 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.796 -4.242 -7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.757 -2.894 -6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.669 -3.215 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.372 -4.805 -3.933 1.00 0.00 H new ATOM 923 N ASP A 59 3.977 -2.615 -8.485 1.00 0.00 N ATOM 924 CA ASP A 59 3.361 -3.135 -9.700 1.00 0.00 C ATOM 925 C ASP A 59 3.569 -4.642 -9.814 1.00 0.00 C ATOM 926 O ASP A 59 4.387 -5.221 -9.099 1.00 0.00 O ATOM 927 CB ASP A 59 3.938 -2.434 -10.931 1.00 0.00 C ATOM 928 CG ASP A 59 3.099 -2.662 -12.174 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.035 -2.021 -12.296 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.507 -3.482 -13.023 1.00 0.00 O ATOM 0 H ASP A 59 4.863 -2.132 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 59 2.290 -2.937 -9.647 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.010 -1.364 -10.736 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.951 -2.794 -11.109 1.00 0.00 H new ATOM 935 N ARG A 60 2.823 -5.271 -10.716 1.00 0.00 N ATOM 936 CA ARG A 60 2.925 -6.711 -10.921 1.00 0.00 C ATOM 937 C ARG A 60 4.238 -7.071 -11.609 1.00 0.00 C ATOM 938 O ARG A 60 4.550 -8.246 -11.798 1.00 0.00 O ATOM 939 CB ARG A 60 1.745 -7.213 -11.756 1.00 0.00 C ATOM 940 CG ARG A 60 1.999 -7.176 -13.254 1.00 0.00 C ATOM 941 CD ARG A 60 0.698 -7.200 -14.040 1.00 0.00 C ATOM 942 NE ARG A 60 0.237 -8.562 -14.295 1.00 0.00 N ATOM 943 CZ ARG A 60 0.697 -9.320 -15.285 1.00 0.00 C ATOM 944 NH1 ARG A 60 1.625 -8.851 -16.108 1.00 0.00 N ATOM 945 NH2 ARG A 60 0.228 -10.550 -15.452 1.00 0.00 N ATOM 0 H ARG A 60 2.142 -4.806 -11.316 1.00 0.00 H new ATOM 0 HA ARG A 60 2.903 -7.194 -9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.511 -8.236 -11.461 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.867 -6.608 -11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.562 -6.277 -13.507 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.615 -8.029 -13.541 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.068 -6.655 -13.489 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.838 -6.681 -14.988 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.477 -8.953 -13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.988 -7.906 -15.982 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.976 -9.435 -16.867 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.486 -10.914 -14.821 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.581 -11.132 -16.212 1.00 0.00 H new ATOM 959 N ASN A 61 5.004 -6.051 -11.982 1.00 0.00 N ATOM 960 CA ASN A 61 6.283 -6.259 -12.651 1.00 0.00 C ATOM 961 C ASN A 61 7.444 -5.905 -11.726 1.00 0.00 C ATOM 962 O ASN A 61 8.479 -6.570 -11.729 1.00 0.00 O ATOM 963 CB ASN A 61 6.358 -5.419 -13.927 1.00 0.00 C ATOM 964 CG ASN A 61 5.707 -6.107 -15.111 1.00 0.00 C ATOM 965 OD1 ASN A 61 5.777 -7.328 -15.250 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.068 -5.323 -15.972 1.00 0.00 N ATOM 0 H ASN A 61 4.761 -5.072 -11.832 1.00 0.00 H new ATOM 0 HA ASN A 61 6.360 -7.314 -12.914 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.872 -4.459 -13.756 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.402 -5.210 -14.161 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.610 -5.729 -16.788 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.035 -4.315 -15.817 1.00 0.00 H new ATOM 973 N GLY A 62 7.263 -4.852 -10.935 1.00 0.00 N ATOM 974 CA GLY A 62 8.303 -4.427 -10.016 1.00 0.00 C ATOM 975 C GLY A 62 8.507 -2.925 -10.025 1.00 0.00 C ATOM 976 O GLY A 62 9.642 -2.446 -10.012 1.00 0.00 O ATOM 0 H GLY A 62 6.415 -4.286 -10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.046 -4.749 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.239 -4.919 -10.279 1.00 0.00 H new ATOM 980 N HIS A 63 7.407 -2.180 -10.051 1.00 0.00 N ATOM 981 CA HIS A 63 7.471 -0.723 -10.064 1.00 0.00 C ATOM 982 C HIS A 63 6.692 -0.134 -8.891 1.00 0.00 C ATOM 983 O HIS A 63 5.486 -0.344 -8.769 1.00 0.00 O ATOM 984 CB HIS A 63 6.920 -0.178 -11.382 1.00 0.00 C ATOM 985 CG HIS A 63 7.157 -1.085 -12.550 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.273 -1.205 -13.601 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.187 -1.917 -12.830 1.00 0.00 C ATOM 988 CE1 HIS A 63 6.748 -2.073 -14.477 1.00 0.00 C ATOM 989 NE2 HIS A 63 7.909 -2.519 -14.032 1.00 0.00 N ATOM 0 H HIS A 63 6.461 -2.561 -10.063 1.00 0.00 H new ATOM 0 HA HIS A 63 8.516 -0.430 -9.967 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.849 -0.008 -11.276 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.378 0.790 -11.585 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.064 -2.077 -12.221 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.269 -2.367 -15.399 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.503 -3.200 -14.505 1.00 0.00 H new ATOM 998 N GLU A 64 7.390 0.601 -8.032 1.00 0.00 N ATOM 999 CA GLU A 64 6.763 1.218 -6.869 1.00 0.00 C ATOM 1000 C GLU A 64 6.718 2.736 -7.016 1.00 0.00 C ATOM 1001 O GLU A 64 7.340 3.303 -7.914 1.00 0.00 O ATOM 1002 CB GLU A 64 7.520 0.841 -5.594 1.00 0.00 C ATOM 1003 CG GLU A 64 7.979 -0.608 -5.564 1.00 0.00 C ATOM 1004 CD GLU A 64 9.213 -0.811 -4.706 1.00 0.00 C ATOM 1005 OE1 GLU A 64 9.327 -0.138 -3.661 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.064 -1.645 -5.081 1.00 0.00 O ATOM 0 H GLU A 64 8.390 0.784 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 64 5.741 0.846 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.389 1.491 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.879 1.028 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.171 -1.234 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.189 -0.940 -6.581 1.00 0.00 H new ATOM 1013 N GLY A 65 5.976 3.389 -6.127 1.00 0.00 N ATOM 1014 CA GLY A 65 5.861 4.835 -6.175 1.00 0.00 C ATOM 1015 C GLY A 65 4.623 5.343 -5.464 1.00 0.00 C ATOM 1016 O GLY A 65 3.691 4.581 -5.204 1.00 0.00 O ATOM 0 H GLY A 65 5.452 2.942 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.746 5.282 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.838 5.160 -7.215 1.00 0.00 H new ATOM 1020 N TYR A 66 4.612 6.633 -5.146 1.00 0.00 N ATOM 1021 CA TYR A 66 3.480 7.241 -4.457 1.00 0.00 C ATOM 1022 C TYR A 66 2.368 7.591 -5.440 1.00 0.00 C ATOM 1023 O TYR A 66 2.553 8.413 -6.338 1.00 0.00 O ATOM 1024 CB TYR A 66 3.927 8.496 -3.707 1.00 0.00 C ATOM 1025 CG TYR A 66 4.892 8.215 -2.577 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.550 7.350 -1.544 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.145 8.814 -2.541 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.428 7.090 -0.510 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.029 8.559 -1.511 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.666 7.697 -0.498 1.00 0.00 C ATOM 1031 OH TYR A 66 7.544 7.442 0.531 1.00 0.00 O ATOM 0 H TYR A 66 5.374 7.278 -5.354 1.00 0.00 H new ATOM 0 HA TYR A 66 3.092 6.517 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.396 9.183 -4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.049 9.002 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.581 6.873 -1.550 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.433 9.491 -3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.146 6.415 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.000 9.032 -1.499 1.00 0.00 H new ATOM 0 HH TYR A 66 8.371 7.948 0.388 1.00 0.00 H new ATOM 1041 N VAL A 67 1.210 6.962 -5.264 1.00 0.00 N ATOM 1042 CA VAL A 67 0.066 7.208 -6.133 1.00 0.00 C ATOM 1043 C VAL A 67 -1.136 7.699 -5.334 1.00 0.00 C ATOM 1044 O VAL A 67 -1.250 7.466 -4.131 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.332 5.939 -6.910 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.517 5.793 -8.164 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.203 4.710 -6.023 1.00 0.00 C ATOM 0 H VAL A 67 1.040 6.278 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 67 0.367 7.980 -6.842 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.374 6.032 -7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.222 4.891 -8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.370 6.661 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.568 5.722 -7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.488 3.822 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.829 4.610 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.858 4.815 -5.158 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.057 8.395 -6.018 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.269 8.932 -5.392 1.00 0.00 C ATOM 1059 C PRO A 68 -4.251 7.836 -4.994 1.00 0.00 C ATOM 1060 O PRO A 68 -4.965 7.294 -5.837 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.870 9.817 -6.486 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.358 9.244 -7.762 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.986 8.710 -7.455 1.00 0.00 C ATOM 0 HA PRO A 68 -3.048 9.464 -4.467 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.959 9.801 -6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.563 10.856 -6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.013 8.452 -8.125 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.315 10.004 -8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.757 7.826 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.211 9.447 -7.667 1.00 0.00 H new ATOM 1071 N SER A 69 -4.281 7.515 -3.704 1.00 0.00 N ATOM 1072 CA SER A 69 -5.174 6.480 -3.195 1.00 0.00 C ATOM 1073 C SER A 69 -6.512 6.509 -3.927 1.00 0.00 C ATOM 1074 O SER A 69 -7.129 5.469 -4.156 1.00 0.00 O ATOM 1075 CB SER A 69 -5.397 6.664 -1.693 1.00 0.00 C ATOM 1076 OG SER A 69 -6.055 7.889 -1.421 1.00 0.00 O ATOM 0 H SER A 69 -3.698 7.956 -2.993 1.00 0.00 H new ATOM 0 HA SER A 69 -4.705 5.512 -3.370 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.990 5.835 -1.306 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.439 6.639 -1.174 1.00 0.00 H new ATOM 0 HG SER A 69 -5.665 8.299 -0.621 1.00 0.00 H new ATOM 1082 N SER A 70 -6.954 7.708 -4.292 1.00 0.00 N ATOM 1083 CA SER A 70 -8.221 7.874 -4.995 1.00 0.00 C ATOM 1084 C SER A 70 -8.368 6.836 -6.103 1.00 0.00 C ATOM 1085 O SER A 70 -9.391 6.158 -6.202 1.00 0.00 O ATOM 1086 CB SER A 70 -8.321 9.283 -5.584 1.00 0.00 C ATOM 1087 OG SER A 70 -8.536 10.247 -4.567 1.00 0.00 O ATOM 0 H SER A 70 -6.454 8.579 -4.113 1.00 0.00 H new ATOM 0 HA SER A 70 -9.028 7.730 -4.277 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.405 9.520 -6.126 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.138 9.322 -6.305 1.00 0.00 H new ATOM 0 HG SER A 70 -8.595 11.139 -4.969 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.339 6.718 -6.934 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.353 5.764 -8.037 1.00 0.00 C ATOM 1095 C TYR A 71 -7.399 4.331 -7.517 1.00 0.00 C ATOM 1096 O TYR A 71 -8.167 3.503 -8.011 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.120 5.958 -8.922 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.205 7.171 -9.821 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.607 8.403 -9.321 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.883 7.085 -11.169 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.687 9.514 -10.138 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.958 8.191 -11.994 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.360 9.403 -11.474 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.438 10.507 -12.292 1.00 0.00 O ATOM 0 H TYR A 71 -6.485 7.271 -6.865 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.250 5.945 -8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.238 6.047 -8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.981 5.069 -9.537 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.861 8.494 -8.275 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.568 6.137 -11.580 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.004 10.464 -9.733 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.703 8.107 -13.040 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.173 10.259 -13.202 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.573 4.044 -6.517 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.519 2.711 -5.928 1.00 0.00 C ATOM 1116 C LEU A 72 -7.794 2.408 -5.146 1.00 0.00 C ATOM 1117 O LEU A 72 -8.247 3.220 -4.339 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.302 2.587 -5.009 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.937 2.734 -5.681 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.831 2.781 -4.637 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.699 1.596 -6.662 1.00 0.00 C ATOM 0 H LEU A 72 -5.931 4.717 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.431 1.987 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.383 3.342 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.340 1.615 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.926 3.672 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.866 2.886 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.992 3.631 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.841 1.860 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.722 1.718 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.730 0.645 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.473 1.609 -7.429 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.367 1.234 -5.390 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.588 0.823 -4.707 1.00 0.00 C ATOM 1135 C VAL A 73 -9.383 -0.489 -3.959 1.00 0.00 C ATOM 1136 O VAL A 73 -8.798 -1.433 -4.490 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.757 0.660 -5.696 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.741 1.775 -6.730 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.698 -0.703 -6.370 1.00 0.00 C ATOM 0 H VAL A 73 -8.005 0.551 -6.055 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.833 1.611 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.692 0.726 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.574 1.643 -7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.834 2.738 -6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.803 1.744 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.531 -0.801 -7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.758 -0.800 -6.914 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.762 -1.486 -5.614 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.869 -0.541 -2.722 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.738 -1.739 -1.901 1.00 0.00 C ATOM 1151 C GLU A 74 -10.215 -2.974 -2.659 1.00 0.00 C ATOM 1152 O GLU A 74 -11.407 -3.132 -2.924 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.535 -1.584 -0.604 1.00 0.00 C ATOM 1154 CG GLU A 74 -10.124 -2.562 0.484 1.00 0.00 C ATOM 1155 CD GLU A 74 -11.271 -2.923 1.408 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -12.035 -2.011 1.789 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -11.405 -4.116 1.750 1.00 0.00 O ATOM 0 H GLU A 74 -10.356 0.231 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.683 -1.868 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.413 -0.567 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.595 -1.719 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.734 -3.470 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.313 -2.128 1.070 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.276 -3.847 -3.007 1.00 0.00 N ATOM 1165 CA LYS A 75 -9.598 -5.069 -3.735 1.00 0.00 C ATOM 1166 C LYS A 75 -10.420 -6.017 -2.868 1.00 0.00 C ATOM 1167 O LYS A 75 -9.994 -6.407 -1.781 1.00 0.00 O ATOM 1168 CB LYS A 75 -8.315 -5.765 -4.196 1.00 0.00 C ATOM 1169 CG LYS A 75 -8.532 -6.748 -5.333 1.00 0.00 C ATOM 1170 CD LYS A 75 -8.834 -8.144 -4.813 1.00 0.00 C ATOM 1171 CE LYS A 75 -8.894 -9.159 -5.944 1.00 0.00 C ATOM 1172 NZ LYS A 75 -10.235 -9.190 -6.591 1.00 0.00 N ATOM 0 H LYS A 75 -8.285 -3.731 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.191 -4.797 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.595 -5.010 -4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.873 -6.292 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.356 -6.406 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.644 -6.778 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.067 -8.440 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.784 -8.137 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.137 -8.917 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.655 -10.149 -5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.235 -9.894 -7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.955 -9.446 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.453 -8.252 -6.984 1.00 0.00 H new