USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 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 33:sc=0.000439 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -154:sc=0.000617 USER MOD Single : A 41 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.1) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.216 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 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= -0.228 X(o=-0.23,f=-0.11) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.13) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -148:sc= 0.725 USER MOD Single : A 70 SER OG : rot 180:sc= -0.148 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= 0.136 (180deg=0.0597) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -2.793 -6.488 1.170 1.00 0.00 N ATOM 272 CA THR A 20 -3.942 -5.738 0.678 1.00 0.00 C ATOM 273 C THR A 20 -3.778 -5.385 -0.796 1.00 0.00 C ATOM 274 O THR A 20 -2.939 -4.560 -1.157 1.00 0.00 O ATOM 275 CB THR A 20 -4.155 -4.443 1.483 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.592 -4.757 2.810 1.00 0.00 O ATOM 277 CG2 THR A 20 -5.180 -3.546 0.806 1.00 0.00 C ATOM 0 HA THR A 20 -4.814 -6.380 0.801 1.00 0.00 H new ATOM 0 HB THR A 20 -3.205 -3.911 1.530 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.186 -5.602 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.313 -2.638 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.831 -3.284 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.131 -4.073 0.731 1.00 0.00 H new ATOM 285 N VAL A 21 -4.584 -6.016 -1.644 1.00 0.00 N ATOM 286 CA VAL A 21 -4.529 -5.767 -3.080 1.00 0.00 C ATOM 287 C VAL A 21 -5.540 -4.702 -3.492 1.00 0.00 C ATOM 288 O VAL A 21 -6.742 -4.854 -3.275 1.00 0.00 O ATOM 289 CB VAL A 21 -4.799 -7.053 -3.883 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.967 -6.734 -5.361 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.678 -8.058 -3.670 1.00 0.00 C ATOM 0 H VAL A 21 -5.283 -6.703 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.522 -5.413 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.727 -7.497 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.157 -7.655 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.807 -6.052 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.057 -6.266 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.885 -8.961 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.734 -7.625 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.611 -8.309 -2.611 1.00 0.00 H new ATOM 301 N VAL A 22 -5.044 -3.622 -4.088 1.00 0.00 N ATOM 302 CA VAL A 22 -5.903 -2.532 -4.533 1.00 0.00 C ATOM 303 C VAL A 22 -5.896 -2.412 -6.053 1.00 0.00 C ATOM 304 O VAL A 22 -4.945 -2.828 -6.714 1.00 0.00 O ATOM 305 CB VAL A 22 -5.466 -1.188 -3.921 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.941 -1.078 -2.480 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.956 -1.029 -4.007 1.00 0.00 C ATOM 0 H VAL A 22 -4.051 -3.479 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.912 -2.766 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.926 -0.382 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.623 -0.122 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.029 -1.143 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.512 -1.890 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.665 -0.074 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.473 -1.840 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.646 -1.059 -5.051 1.00 0.00 H new ATOM 317 N ILE A 23 -6.964 -1.840 -6.600 1.00 0.00 N ATOM 318 CA ILE A 23 -7.080 -1.663 -8.042 1.00 0.00 C ATOM 319 C ILE A 23 -7.255 -0.192 -8.404 1.00 0.00 C ATOM 320 O ILE A 23 -7.895 0.564 -7.674 1.00 0.00 O ATOM 321 CB ILE A 23 -8.264 -2.466 -8.614 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.211 -3.914 -8.123 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.252 -2.416 -10.135 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.495 -4.678 -8.358 1.00 0.00 C ATOM 0 H ILE A 23 -7.760 -1.492 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.154 -2.034 -8.481 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.193 -2.017 -8.262 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.393 -4.430 -8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.984 -3.920 -7.057 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.094 -2.988 -10.524 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.332 -1.380 -10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.321 -2.844 -10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.386 -5.697 -7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.313 -4.185 -7.832 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.713 -4.704 -9.426 1.00 0.00 H new ATOM 336 N ALA A 24 -6.684 0.205 -9.536 1.00 0.00 N ATOM 337 CA ALA A 24 -6.780 1.585 -9.997 1.00 0.00 C ATOM 338 C ALA A 24 -8.035 1.797 -10.837 1.00 0.00 C ATOM 339 O ALA A 24 -8.488 0.887 -11.534 1.00 0.00 O ATOM 340 CB ALA A 24 -5.539 1.964 -10.792 1.00 0.00 C ATOM 0 H ALA A 24 -6.150 -0.409 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.848 2.231 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.625 2.997 -11.130 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.657 1.861 -10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.446 1.306 -11.656 1.00 0.00 H new ATOM 346 N LEU A 25 -8.591 3.001 -10.768 1.00 0.00 N ATOM 347 CA LEU A 25 -9.795 3.332 -11.522 1.00 0.00 C ATOM 348 C LEU A 25 -9.441 4.001 -12.846 1.00 0.00 C ATOM 349 O LEU A 25 -10.124 3.810 -13.853 1.00 0.00 O ATOM 350 CB LEU A 25 -10.701 4.250 -10.700 1.00 0.00 C ATOM 351 CG LEU A 25 -11.064 3.755 -9.299 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.549 4.908 -8.435 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.121 2.663 -9.377 1.00 0.00 C ATOM 0 H LEU A 25 -8.227 3.765 -10.198 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.326 2.404 -11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.213 5.220 -10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.624 4.411 -11.257 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.169 3.335 -8.839 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.803 4.537 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.761 5.657 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.431 5.358 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.367 2.322 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.017 3.058 -9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.737 1.826 -9.960 1.00 0.00 H new ATOM 365 N TYR A 26 -8.368 4.785 -12.838 1.00 0.00 N ATOM 366 CA TYR A 26 -7.923 5.483 -14.038 1.00 0.00 C ATOM 367 C TYR A 26 -6.428 5.278 -14.265 1.00 0.00 C ATOM 368 O TYR A 26 -5.661 5.117 -13.316 1.00 0.00 O ATOM 369 CB TYR A 26 -8.233 6.977 -13.929 1.00 0.00 C ATOM 370 CG TYR A 26 -9.594 7.271 -13.339 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.798 7.242 -11.965 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.675 7.579 -14.155 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.039 7.510 -11.421 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.920 7.849 -13.621 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.097 7.813 -12.253 1.00 0.00 C ATOM 376 OH TYR A 26 -13.335 8.082 -11.716 1.00 0.00 O ATOM 0 H TYR A 26 -7.791 4.953 -12.014 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.462 5.068 -14.890 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.469 7.454 -13.315 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.171 7.426 -14.920 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.972 7.006 -11.311 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.540 7.608 -15.226 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.180 7.483 -10.351 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.750 8.087 -14.270 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.969 8.277 -12.437 1.00 0.00 H new ATOM 386 N ASP A 27 -6.022 5.285 -15.530 1.00 0.00 N ATOM 387 CA ASP A 27 -4.619 5.102 -15.883 1.00 0.00 C ATOM 388 C ASP A 27 -3.804 6.344 -15.535 1.00 0.00 C ATOM 389 O ASP A 27 -3.698 7.274 -16.335 1.00 0.00 O ATOM 390 CB ASP A 27 -4.484 4.790 -17.375 1.00 0.00 C ATOM 391 CG ASP A 27 -5.246 5.771 -18.243 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.493 5.773 -18.182 1.00 0.00 O ATOM 393 OD2 ASP A 27 -4.595 6.537 -18.985 1.00 0.00 O ATOM 0 H ASP A 27 -6.644 5.415 -16.328 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.231 4.262 -15.307 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.430 4.806 -17.653 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.848 3.781 -17.567 1.00 0.00 H new ATOM 398 N TYR A 28 -3.232 6.352 -14.337 1.00 0.00 N ATOM 399 CA TYR A 28 -2.429 7.481 -13.881 1.00 0.00 C ATOM 400 C TYR A 28 -1.103 7.545 -14.633 1.00 0.00 C ATOM 401 O TYR A 28 -0.569 6.522 -15.060 1.00 0.00 O ATOM 402 CB TYR A 28 -2.171 7.375 -12.377 1.00 0.00 C ATOM 403 CG TYR A 28 -1.341 8.512 -11.824 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.827 9.814 -11.817 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.072 8.284 -11.306 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.073 10.855 -11.314 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.689 9.320 -10.799 1.00 0.00 C ATOM 408 CZ TYR A 28 0.185 10.603 -10.806 1.00 0.00 C ATOM 409 OH TYR A 28 0.939 11.638 -10.302 1.00 0.00 O ATOM 0 H TYR A 28 -3.309 5.590 -13.664 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.985 8.396 -14.084 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.127 7.346 -11.854 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.665 6.432 -12.169 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.812 10.015 -12.212 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.326 7.280 -11.300 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.465 11.861 -11.318 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.673 9.126 -10.399 1.00 0.00 H new ATOM 0 HH TYR A 28 1.890 11.410 -10.363 1.00 0.00 H new ATOM 507 N GLU A 35 7.314 8.897 -8.237 1.00 0.00 N ATOM 508 CA GLU A 35 5.927 8.526 -8.492 1.00 0.00 C ATOM 509 C GLU A 35 5.849 7.301 -9.398 1.00 0.00 C ATOM 510 O GLU A 35 6.821 6.947 -10.067 1.00 0.00 O ATOM 511 CB GLU A 35 5.172 9.695 -9.130 1.00 0.00 C ATOM 512 CG GLU A 35 5.043 10.905 -8.220 1.00 0.00 C ATOM 513 CD GLU A 35 3.941 11.850 -8.659 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.010 12.350 -9.802 1.00 0.00 O ATOM 515 OE2 GLU A 35 3.011 12.089 -7.862 1.00 0.00 O ATOM 0 HA GLU A 35 5.462 8.280 -7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.685 9.992 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.176 9.359 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.845 10.570 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.991 11.443 -8.200 1.00 0.00 H new ATOM 522 N LEU A 36 4.687 6.658 -9.414 1.00 0.00 N ATOM 523 CA LEU A 36 4.481 5.471 -10.238 1.00 0.00 C ATOM 524 C LEU A 36 3.298 5.661 -11.181 1.00 0.00 C ATOM 525 O LEU A 36 2.410 6.474 -10.923 1.00 0.00 O ATOM 526 CB LEU A 36 4.250 4.245 -9.352 1.00 0.00 C ATOM 527 CG LEU A 36 3.953 2.936 -10.083 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.221 2.371 -10.703 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.326 1.925 -9.133 1.00 0.00 C ATOM 0 H LEU A 36 3.873 6.938 -8.866 1.00 0.00 H new ATOM 0 HA LEU A 36 5.378 5.315 -10.837 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.134 4.099 -8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.419 4.459 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 36 3.242 3.143 -10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.990 1.439 -11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.629 3.089 -11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.955 2.180 -9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.121 0.999 -9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.013 1.723 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.394 2.328 -8.736 1.00 0.00 H new ATOM 541 N ALA A 37 3.291 4.905 -12.274 1.00 0.00 N ATOM 542 CA ALA A 37 2.215 4.987 -13.253 1.00 0.00 C ATOM 543 C ALA A 37 1.252 3.813 -13.111 1.00 0.00 C ATOM 544 O ALA A 37 1.549 2.698 -13.541 1.00 0.00 O ATOM 545 CB ALA A 37 2.786 5.036 -14.662 1.00 0.00 C ATOM 0 H ALA A 37 4.019 4.229 -12.503 1.00 0.00 H new ATOM 0 HA ALA A 37 1.657 5.905 -13.067 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.971 5.097 -15.383 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.427 5.911 -14.764 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.370 4.135 -14.850 1.00 0.00 H new ATOM 551 N LEU A 38 0.098 4.070 -12.504 1.00 0.00 N ATOM 552 CA LEU A 38 -0.909 3.034 -12.304 1.00 0.00 C ATOM 553 C LEU A 38 -1.539 2.624 -13.631 1.00 0.00 C ATOM 554 O LEU A 38 -1.569 3.404 -14.583 1.00 0.00 O ATOM 555 CB LEU A 38 -1.992 3.526 -11.343 1.00 0.00 C ATOM 556 CG LEU A 38 -1.622 3.528 -9.859 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.729 4.165 -9.034 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.343 2.112 -9.378 1.00 0.00 C ATOM 0 H LEU A 38 -0.163 4.987 -12.142 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.417 2.163 -11.872 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.270 4.540 -11.629 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.877 2.904 -11.475 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.715 4.119 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.448 4.158 -7.981 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.881 5.193 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.652 3.601 -9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.081 2.132 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.232 1.498 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.515 1.690 -9.949 1.00 0.00 H new ATOM 570 N ARG A 39 -2.043 1.395 -13.687 1.00 0.00 N ATOM 571 CA ARG A 39 -2.673 0.882 -14.897 1.00 0.00 C ATOM 572 C ARG A 39 -4.176 0.711 -14.696 1.00 0.00 C ATOM 573 O ARG A 39 -4.625 0.276 -13.635 1.00 0.00 O ATOM 574 CB ARG A 39 -2.046 -0.455 -15.296 1.00 0.00 C ATOM 575 CG ARG A 39 -2.623 -1.040 -16.575 1.00 0.00 C ATOM 576 CD ARG A 39 -2.226 -0.219 -17.792 1.00 0.00 C ATOM 577 NE ARG A 39 -2.966 -0.616 -18.986 1.00 0.00 N ATOM 578 CZ ARG A 39 -2.627 -1.646 -19.753 1.00 0.00 C ATOM 579 NH1 ARG A 39 -1.563 -2.379 -19.452 1.00 0.00 N ATOM 580 NH2 ARG A 39 -3.351 -1.945 -20.824 1.00 0.00 N ATOM 0 H ARG A 39 -2.027 0.737 -12.908 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.510 1.605 -15.696 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.972 -0.320 -15.420 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.186 -1.169 -14.484 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.274 -2.065 -16.697 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.710 -1.080 -16.500 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.404 0.837 -17.590 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.157 -0.333 -17.973 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.789 -0.072 -19.246 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.003 -2.152 -18.630 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.305 -3.170 -20.043 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.169 -1.383 -21.059 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.089 -2.736 -21.412 1.00 0.00 H new ATOM 594 N ARG A 40 -4.948 1.057 -15.721 1.00 0.00 N ATOM 595 CA ARG A 40 -6.400 0.944 -15.657 1.00 0.00 C ATOM 596 C ARG A 40 -6.825 -0.510 -15.477 1.00 0.00 C ATOM 597 O ARG A 40 -6.413 -1.386 -16.237 1.00 0.00 O ATOM 598 CB ARG A 40 -7.034 1.519 -16.925 1.00 0.00 C ATOM 599 CG ARG A 40 -8.552 1.432 -16.940 1.00 0.00 C ATOM 600 CD ARG A 40 -9.165 2.542 -17.780 1.00 0.00 C ATOM 601 NE ARG A 40 -9.273 2.166 -19.187 1.00 0.00 N ATOM 602 CZ ARG A 40 -9.715 2.985 -20.135 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.087 4.220 -19.827 1.00 0.00 N ATOM 604 NH2 ARG A 40 -9.785 2.570 -21.393 1.00 0.00 N ATOM 0 H ARG A 40 -4.592 1.418 -16.606 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.746 1.515 -14.795 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.737 2.563 -17.028 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.639 0.988 -17.791 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.858 0.464 -17.335 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.931 1.494 -15.920 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.154 2.786 -17.393 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.557 3.442 -17.691 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.994 1.223 -19.457 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.034 4.543 -18.861 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.426 4.847 -20.556 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.499 1.621 -21.634 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.125 3.200 -22.120 1.00 0.00 H new ATOM 618 N ASN A 41 -7.650 -0.760 -14.466 1.00 0.00 N ATOM 619 CA ASN A 41 -8.130 -2.108 -14.186 1.00 0.00 C ATOM 620 C ASN A 41 -6.966 -3.049 -13.891 1.00 0.00 C ATOM 621 O ASN A 41 -6.848 -4.115 -14.495 1.00 0.00 O ATOM 622 CB ASN A 41 -8.942 -2.639 -15.368 1.00 0.00 C ATOM 623 CG ASN A 41 -10.410 -2.271 -15.273 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.991 -2.264 -14.187 1.00 0.00 O ATOM 625 ND2 ASN A 41 -11.018 -1.963 -16.413 1.00 0.00 N ATOM 0 H ASN A 41 -8.000 -0.047 -13.827 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.771 -2.063 -13.305 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.530 -2.242 -16.296 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.844 -3.724 -15.414 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.005 -1.707 -16.412 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.497 -1.982 -17.290 1.00 0.00 H new ATOM 632 N GLU A 42 -6.109 -2.648 -12.957 1.00 0.00 N ATOM 633 CA GLU A 42 -4.954 -3.455 -12.583 1.00 0.00 C ATOM 634 C GLU A 42 -4.784 -3.491 -11.067 1.00 0.00 C ATOM 635 O GLU A 42 -4.925 -2.472 -10.392 1.00 0.00 O ATOM 636 CB GLU A 42 -3.685 -2.905 -13.236 1.00 0.00 C ATOM 637 CG GLU A 42 -3.486 -3.371 -14.669 1.00 0.00 C ATOM 638 CD GLU A 42 -3.704 -4.863 -14.832 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.827 -5.641 -14.400 1.00 0.00 O ATOM 640 OE2 GLU A 42 -4.750 -5.252 -15.391 1.00 0.00 O ATOM 0 H GLU A 42 -6.193 -1.769 -12.446 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.124 -4.472 -12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.721 -1.816 -13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.822 -3.205 -12.642 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.175 -2.833 -15.321 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.477 -3.117 -14.993 1.00 0.00 H new ATOM 647 N GLU A 43 -4.480 -4.673 -10.539 1.00 0.00 N ATOM 648 CA GLU A 43 -4.292 -4.843 -9.103 1.00 0.00 C ATOM 649 C GLU A 43 -2.902 -4.378 -8.678 1.00 0.00 C ATOM 650 O GLU A 43 -1.979 -4.322 -9.490 1.00 0.00 O ATOM 651 CB GLU A 43 -4.496 -6.307 -8.709 1.00 0.00 C ATOM 652 CG GLU A 43 -5.954 -6.689 -8.518 1.00 0.00 C ATOM 653 CD GLU A 43 -6.151 -8.186 -8.376 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.168 -8.933 -8.563 1.00 0.00 O ATOM 655 OE2 GLU A 43 -7.288 -8.609 -8.079 1.00 0.00 O ATOM 0 H GLU A 43 -4.359 -5.526 -11.084 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.033 -4.231 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.060 -6.945 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.953 -6.505 -7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.343 -6.189 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.534 -6.329 -9.367 1.00 0.00 H new ATOM 662 N TYR A 44 -2.762 -4.047 -7.399 1.00 0.00 N ATOM 663 CA TYR A 44 -1.486 -3.584 -6.866 1.00 0.00 C ATOM 664 C TYR A 44 -1.342 -3.961 -5.394 1.00 0.00 C ATOM 665 O TYR A 44 -2.333 -4.071 -4.671 1.00 0.00 O ATOM 666 CB TYR A 44 -1.359 -2.069 -7.030 1.00 0.00 C ATOM 667 CG TYR A 44 -1.147 -1.631 -8.462 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.184 -1.686 -9.386 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.089 -1.165 -8.891 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.995 -1.288 -10.696 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.287 -0.763 -10.198 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.758 -0.827 -11.096 1.00 0.00 C ATOM 673 OH TYR A 44 -0.565 -0.429 -12.400 1.00 0.00 O ATOM 0 H TYR A 44 -3.515 -4.091 -6.713 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.689 -4.071 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.260 -1.593 -6.643 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.526 -1.715 -6.423 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.154 -2.046 -9.075 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.910 -1.116 -8.191 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.811 -1.338 -11.402 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.254 -0.401 -10.515 1.00 0.00 H new ATOM 0 HH TYR A 44 0.361 -0.131 -12.517 1.00 0.00 H new ATOM 683 N CYS A 45 -0.103 -4.156 -4.959 1.00 0.00 N ATOM 684 CA CYS A 45 0.172 -4.521 -3.573 1.00 0.00 C ATOM 685 C CYS A 45 0.490 -3.284 -2.739 1.00 0.00 C ATOM 686 O CYS A 45 1.439 -2.554 -3.028 1.00 0.00 O ATOM 687 CB CYS A 45 1.337 -5.509 -3.506 1.00 0.00 C ATOM 688 SG CYS A 45 1.772 -6.024 -1.828 1.00 0.00 S ATOM 0 H CYS A 45 0.727 -4.068 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.720 -4.994 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.084 -6.393 -4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.211 -5.056 -3.974 1.00 0.00 H new ATOM 0 HG CYS A 45 2.766 -6.861 -1.875 1.00 0.00 H new ATOM 694 N LEU A 46 -0.310 -3.054 -1.704 1.00 0.00 N ATOM 695 CA LEU A 46 -0.115 -1.904 -0.827 1.00 0.00 C ATOM 696 C LEU A 46 1.044 -2.143 0.135 1.00 0.00 C ATOM 697 O LEU A 46 0.888 -2.809 1.159 1.00 0.00 O ATOM 698 CB LEU A 46 -1.395 -1.616 -0.040 1.00 0.00 C ATOM 699 CG LEU A 46 -1.340 -0.424 0.916 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.822 0.813 0.199 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.714 -0.158 1.516 1.00 0.00 C ATOM 0 H LEU A 46 -1.100 -3.648 -1.451 1.00 0.00 H new ATOM 0 HA LEU A 46 0.125 -1.041 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.205 -1.450 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.653 -2.506 0.535 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.651 -0.664 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.790 1.651 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.181 0.620 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.485 1.057 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.656 0.694 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.423 0.061 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.047 -1.038 2.066 1.00 0.00 H new ATOM 713 N LEU A 47 2.206 -1.593 -0.200 1.00 0.00 N ATOM 714 CA LEU A 47 3.393 -1.744 0.635 1.00 0.00 C ATOM 715 C LEU A 47 3.223 -1.009 1.960 1.00 0.00 C ATOM 716 O LEU A 47 3.205 -1.626 3.026 1.00 0.00 O ATOM 717 CB LEU A 47 4.627 -1.218 -0.099 1.00 0.00 C ATOM 718 CG LEU A 47 5.101 -2.044 -1.295 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.788 -1.155 -2.320 1.00 0.00 C ATOM 720 CD2 LEU A 47 6.035 -3.155 -0.839 1.00 0.00 C ATOM 0 H LEU A 47 2.352 -1.039 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 47 3.528 -2.805 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.416 -0.206 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.447 -1.147 0.616 1.00 0.00 H new ATOM 0 HG LEU A 47 4.230 -2.499 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.118 -1.761 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.089 -0.396 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.650 -0.670 -1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.362 -3.733 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.903 -2.720 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.510 -3.809 -0.143 1.00 0.00 H new ATOM 732 N ASP A 48 3.096 0.311 1.886 1.00 0.00 N ATOM 733 CA ASP A 48 2.923 1.131 3.080 1.00 0.00 C ATOM 734 C ASP A 48 1.808 2.153 2.882 1.00 0.00 C ATOM 735 O ASP A 48 1.576 2.624 1.769 1.00 0.00 O ATOM 736 CB ASP A 48 4.231 1.845 3.428 1.00 0.00 C ATOM 737 CG ASP A 48 5.319 0.883 3.860 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.835 0.144 2.996 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.654 0.867 5.064 1.00 0.00 O ATOM 0 H ASP A 48 3.110 0.837 1.012 1.00 0.00 H new ATOM 0 HA ASP A 48 2.646 0.474 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.574 2.411 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.048 2.564 4.227 1.00 0.00 H new ATOM 744 N SER A 49 1.121 2.490 3.968 1.00 0.00 N ATOM 745 CA SER A 49 0.026 3.452 3.913 1.00 0.00 C ATOM 746 C SER A 49 0.267 4.605 4.882 1.00 0.00 C ATOM 747 O SER A 49 -0.661 5.095 5.524 1.00 0.00 O ATOM 748 CB SER A 49 -1.301 2.765 4.239 1.00 0.00 C ATOM 749 OG SER A 49 -1.325 2.314 5.582 1.00 0.00 O ATOM 0 H SER A 49 1.303 2.111 4.897 1.00 0.00 H new ATOM 0 HA SER A 49 -0.021 3.855 2.901 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.124 3.459 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.452 1.921 3.566 1.00 0.00 H new ATOM 0 HG SER A 49 -2.184 1.880 5.766 1.00 0.00 H new ATOM 755 N SER A 50 1.522 5.034 4.981 1.00 0.00 N ATOM 756 CA SER A 50 1.887 6.127 5.874 1.00 0.00 C ATOM 757 C SER A 50 0.931 7.305 5.710 1.00 0.00 C ATOM 758 O SER A 50 0.363 7.796 6.685 1.00 0.00 O ATOM 759 CB SER A 50 3.323 6.579 5.600 1.00 0.00 C ATOM 760 OG SER A 50 3.894 7.186 6.746 1.00 0.00 O ATOM 0 H SER A 50 2.302 4.641 4.454 1.00 0.00 H new ATOM 0 HA SER A 50 1.817 5.765 6.900 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.926 5.722 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.333 7.283 4.768 1.00 0.00 H new ATOM 0 HG SER A 50 4.812 7.464 6.546 1.00 0.00 H new ATOM 766 N GLU A 51 0.760 7.753 4.470 1.00 0.00 N ATOM 767 CA GLU A 51 -0.126 8.873 4.179 1.00 0.00 C ATOM 768 C GLU A 51 -1.516 8.380 3.785 1.00 0.00 C ATOM 769 O GLU A 51 -1.780 7.177 3.779 1.00 0.00 O ATOM 770 CB GLU A 51 0.457 9.736 3.058 1.00 0.00 C ATOM 771 CG GLU A 51 1.624 10.602 3.501 1.00 0.00 C ATOM 772 CD GLU A 51 2.273 11.342 2.347 1.00 0.00 C ATOM 773 OE1 GLU A 51 2.814 10.674 1.442 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.239 12.591 2.350 1.00 0.00 O ATOM 0 H GLU A 51 1.223 7.357 3.652 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.216 9.476 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.784 9.088 2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.329 10.377 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.276 11.323 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.370 9.977 3.992 1.00 0.00 H new ATOM 781 N ILE A 52 -2.399 9.317 3.457 1.00 0.00 N ATOM 782 CA ILE A 52 -3.760 8.978 3.062 1.00 0.00 C ATOM 783 C ILE A 52 -4.004 9.309 1.594 1.00 0.00 C ATOM 784 O ILE A 52 -4.550 8.497 0.846 1.00 0.00 O ATOM 785 CB ILE A 52 -4.798 9.722 3.924 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.642 9.335 5.396 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.207 9.417 3.436 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.669 9.977 6.301 1.00 0.00 C ATOM 0 H ILE A 52 -2.196 10.317 3.457 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.875 7.905 3.214 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.626 10.794 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.715 8.251 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.645 9.617 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.930 9.949 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.310 9.738 2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.392 8.345 3.504 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.498 9.658 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.582 11.062 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.669 9.675 5.989 1.00 0.00 H new ATOM 800 N HIS A 53 -3.595 10.506 1.186 1.00 0.00 N ATOM 801 CA HIS A 53 -3.768 10.944 -0.195 1.00 0.00 C ATOM 802 C HIS A 53 -2.776 10.239 -1.116 1.00 0.00 C ATOM 803 O HIS A 53 -3.070 9.990 -2.285 1.00 0.00 O ATOM 804 CB HIS A 53 -3.589 12.459 -0.297 1.00 0.00 C ATOM 805 CG HIS A 53 -4.184 13.211 0.853 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.519 13.547 0.924 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.616 13.693 1.984 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.747 14.203 2.047 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.609 14.305 2.709 1.00 0.00 N ATOM 0 H HIS A 53 -3.142 11.190 1.792 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.778 10.683 -0.510 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.525 12.688 -0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.044 12.809 -1.224 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.576 13.611 2.264 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.702 14.590 2.369 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.487 14.764 3.612 1.00 0.00 H new ATOM 818 N TRP A 54 -1.602 9.922 -0.581 1.00 0.00 N ATOM 819 CA TRP A 54 -0.567 9.247 -1.356 1.00 0.00 C ATOM 820 C TRP A 54 -0.207 7.905 -0.729 1.00 0.00 C ATOM 821 O TRP A 54 0.282 7.848 0.399 1.00 0.00 O ATOM 822 CB TRP A 54 0.679 10.128 -1.457 1.00 0.00 C ATOM 823 CG TRP A 54 0.416 11.458 -2.097 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.374 12.673 -1.475 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.158 11.705 -3.483 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.105 13.661 -2.391 1.00 0.00 N ATOM 827 CE2 TRP A 54 -0.031 13.093 -3.630 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.070 10.890 -4.615 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.304 13.681 -4.863 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.201 11.475 -5.837 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.384 12.859 -5.954 1.00 0.00 C ATOM 0 H TRP A 54 -1.343 10.121 0.385 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.957 9.066 -2.358 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.084 10.287 -0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.442 9.601 -2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.529 12.834 -0.418 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.020 14.656 -2.182 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.211 9.822 -4.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.447 14.748 -4.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.273 10.854 -6.718 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.592 13.285 -6.924 1.00 0.00 H new ATOM 842 N TRP A 55 -0.450 6.828 -1.467 1.00 0.00 N ATOM 843 CA TRP A 55 -0.150 5.486 -0.982 1.00 0.00 C ATOM 844 C TRP A 55 1.012 4.874 -1.756 1.00 0.00 C ATOM 845 O TRP A 55 1.185 5.138 -2.946 1.00 0.00 O ATOM 846 CB TRP A 55 -1.385 4.590 -1.101 1.00 0.00 C ATOM 847 CG TRP A 55 -2.268 4.633 0.109 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.109 5.421 1.213 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.447 3.853 0.337 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.117 5.178 2.114 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.952 4.221 1.600 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.126 2.881 -0.403 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.102 3.649 2.136 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.268 2.315 0.131 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.747 2.700 1.390 1.00 0.00 C ATOM 0 H TRP A 55 -0.854 6.858 -2.403 1.00 0.00 H new ATOM 0 HA TRP A 55 0.136 5.562 0.067 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.962 4.893 -1.974 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.064 3.562 -1.272 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.308 6.131 1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.226 5.636 3.019 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.765 2.578 -1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.472 3.944 3.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.801 1.563 -0.432 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.643 2.239 1.779 1.00 0.00 H new ATOM 866 N ARG A 56 1.807 4.057 -1.073 1.00 0.00 N ATOM 867 CA ARG A 56 2.955 3.409 -1.698 1.00 0.00 C ATOM 868 C ARG A 56 2.639 1.956 -2.040 1.00 0.00 C ATOM 869 O ARG A 56 2.446 1.126 -1.152 1.00 0.00 O ATOM 870 CB ARG A 56 4.170 3.473 -0.771 1.00 0.00 C ATOM 871 CG ARG A 56 5.499 3.394 -1.504 1.00 0.00 C ATOM 872 CD ARG A 56 6.667 3.321 -0.533 1.00 0.00 C ATOM 873 NE ARG A 56 7.955 3.370 -1.221 1.00 0.00 N ATOM 874 CZ ARG A 56 8.470 4.480 -1.736 1.00 0.00 C ATOM 875 NH1 ARG A 56 7.812 5.627 -1.642 1.00 0.00 N ATOM 876 NH2 ARG A 56 9.648 4.445 -2.347 1.00 0.00 N ATOM 0 H ARG A 56 1.678 3.828 -0.087 1.00 0.00 H new ATOM 0 HA ARG A 56 3.183 3.941 -2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.133 4.402 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.112 2.656 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.507 2.517 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.613 4.266 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.602 4.148 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.600 2.400 0.046 1.00 0.00 H new ATOM 0 HE ARG A 56 8.487 2.505 -1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.907 5.659 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.211 6.478 -2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.158 3.565 -2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.043 5.298 -2.742 1.00 0.00 H new ATOM 890 N VAL A 57 2.587 1.656 -3.334 1.00 0.00 N ATOM 891 CA VAL A 57 2.295 0.304 -3.795 1.00 0.00 C ATOM 892 C VAL A 57 3.380 -0.202 -4.739 1.00 0.00 C ATOM 893 O VAL A 57 4.256 0.556 -5.155 1.00 0.00 O ATOM 894 CB VAL A 57 0.934 0.236 -4.512 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.158 0.843 -3.644 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.007 0.938 -5.860 1.00 0.00 C ATOM 0 H VAL A 57 2.743 2.332 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 57 2.263 -0.331 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 57 0.686 -0.811 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.112 0.786 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.225 0.292 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.080 1.886 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.037 0.880 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.277 1.984 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.760 0.454 -6.482 1.00 0.00 H new ATOM 906 N GLN A 58 3.315 -1.487 -5.072 1.00 0.00 N ATOM 907 CA GLN A 58 4.293 -2.093 -5.968 1.00 0.00 C ATOM 908 C GLN A 58 3.607 -2.740 -7.166 1.00 0.00 C ATOM 909 O GLN A 58 2.844 -3.695 -7.016 1.00 0.00 O ATOM 910 CB GLN A 58 5.125 -3.135 -5.218 1.00 0.00 C ATOM 911 CG GLN A 58 6.025 -3.961 -6.123 1.00 0.00 C ATOM 912 CD GLN A 58 6.919 -4.909 -5.349 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.678 -6.116 -5.310 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.960 -4.367 -4.727 1.00 0.00 N ATOM 0 H GLN A 58 2.596 -2.128 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 58 4.952 -1.305 -6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.739 -2.630 -4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.454 -3.804 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.409 -4.533 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.643 -3.293 -6.722 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.122 -3.362 -4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.597 -4.956 -4.191 1.00 0.00 H new ATOM 923 N ASP A 59 3.882 -2.213 -8.354 1.00 0.00 N ATOM 924 CA ASP A 59 3.291 -2.739 -9.579 1.00 0.00 C ATOM 925 C ASP A 59 3.640 -4.213 -9.761 1.00 0.00 C ATOM 926 O ASP A 59 4.491 -4.751 -9.053 1.00 0.00 O ATOM 927 CB ASP A 59 3.771 -1.935 -10.789 1.00 0.00 C ATOM 928 CG ASP A 59 5.168 -1.379 -10.596 1.00 0.00 C ATOM 929 OD1 ASP A 59 5.295 -0.285 -10.007 1.00 0.00 O ATOM 930 OD2 ASP A 59 6.134 -2.038 -11.034 1.00 0.00 O ATOM 0 H ASP A 59 4.510 -1.422 -8.495 1.00 0.00 H new ATOM 0 HA ASP A 59 2.208 -2.648 -9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.755 -2.571 -11.674 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.078 -1.114 -10.974 1.00 0.00 H new ATOM 935 N ARG A 60 2.976 -4.860 -10.713 1.00 0.00 N ATOM 936 CA ARG A 60 3.214 -6.272 -10.987 1.00 0.00 C ATOM 937 C ARG A 60 4.638 -6.496 -11.488 1.00 0.00 C ATOM 938 O ARG A 60 5.150 -7.614 -11.452 1.00 0.00 O ATOM 939 CB ARG A 60 2.211 -6.790 -12.020 1.00 0.00 C ATOM 940 CG ARG A 60 2.190 -5.981 -13.307 1.00 0.00 C ATOM 941 CD ARG A 60 1.236 -6.583 -14.327 1.00 0.00 C ATOM 942 NE ARG A 60 1.303 -5.893 -15.612 1.00 0.00 N ATOM 943 CZ ARG A 60 2.282 -6.071 -16.492 1.00 0.00 C ATOM 944 NH1 ARG A 60 3.271 -6.913 -16.227 1.00 0.00 N ATOM 945 NH2 ARG A 60 2.272 -5.406 -17.640 1.00 0.00 N ATOM 0 H ARG A 60 2.269 -4.429 -11.308 1.00 0.00 H new ATOM 0 HA ARG A 60 3.083 -6.824 -10.056 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.449 -7.827 -12.257 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.214 -6.784 -11.580 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.892 -4.956 -13.089 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.195 -5.938 -13.728 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.475 -7.637 -14.469 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.217 -6.536 -13.943 1.00 0.00 H new ATOM 0 HE ARG A 60 0.557 -5.238 -15.847 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.282 -7.426 -15.346 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.021 -7.048 -16.905 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.512 -4.758 -17.847 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.024 -5.543 -18.315 1.00 0.00 H new ATOM 959 N ASN A 61 5.271 -5.425 -11.955 1.00 0.00 N ATOM 960 CA ASN A 61 6.635 -5.504 -12.464 1.00 0.00 C ATOM 961 C ASN A 61 7.640 -5.573 -11.319 1.00 0.00 C ATOM 962 O ASN A 61 8.619 -6.316 -11.381 1.00 0.00 O ATOM 963 CB ASN A 61 6.940 -4.298 -13.354 1.00 0.00 C ATOM 964 CG ASN A 61 5.994 -4.196 -14.535 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.950 -3.548 -14.453 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.356 -4.837 -15.640 1.00 0.00 N ATOM 0 H ASN A 61 4.861 -4.492 -11.991 1.00 0.00 H new ATOM 0 HA ASN A 61 6.723 -6.415 -13.056 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.875 -3.386 -12.760 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.965 -4.369 -13.718 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.760 -4.805 -16.467 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.230 -5.362 -15.662 1.00 0.00 H new ATOM 973 N GLY A 62 7.390 -4.792 -10.272 1.00 0.00 N ATOM 974 CA GLY A 62 8.282 -4.779 -9.127 1.00 0.00 C ATOM 975 C GLY A 62 8.666 -3.375 -8.706 1.00 0.00 C ATOM 976 O GLY A 62 9.359 -3.185 -7.706 1.00 0.00 O ATOM 0 H GLY A 62 6.586 -4.169 -10.196 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.802 -5.287 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.184 -5.342 -9.367 1.00 0.00 H new ATOM 980 N HIS A 63 8.216 -2.385 -9.472 1.00 0.00 N ATOM 981 CA HIS A 63 8.518 -0.990 -9.174 1.00 0.00 C ATOM 982 C HIS A 63 7.522 -0.422 -8.168 1.00 0.00 C ATOM 983 O HIS A 63 6.474 -1.016 -7.915 1.00 0.00 O ATOM 984 CB HIS A 63 8.496 -0.157 -10.456 1.00 0.00 C ATOM 985 CG HIS A 63 9.023 -0.886 -11.653 1.00 0.00 C ATOM 986 ND1 HIS A 63 8.561 -0.663 -12.933 1.00 0.00 N ATOM 987 CD2 HIS A 63 9.979 -1.838 -11.760 1.00 0.00 C ATOM 988 CE1 HIS A 63 9.209 -1.448 -13.776 1.00 0.00 C ATOM 989 NE2 HIS A 63 10.075 -2.171 -13.089 1.00 0.00 N ATOM 0 H HIS A 63 7.641 -2.524 -10.303 1.00 0.00 H new ATOM 0 HA HIS A 63 9.515 -0.945 -8.737 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.473 0.160 -10.656 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.086 0.747 -10.302 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.558 -2.258 -10.951 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.056 -1.491 -14.844 1.00 0.00 H new ATOM 0 HE2 HIS A 63 10.712 -2.864 -13.482 1.00 0.00 H new ATOM 998 N GLU A 64 7.857 0.731 -7.597 1.00 0.00 N ATOM 999 CA GLU A 64 6.992 1.377 -6.616 1.00 0.00 C ATOM 1000 C GLU A 64 6.971 2.889 -6.823 1.00 0.00 C ATOM 1001 O GLU A 64 7.681 3.420 -7.675 1.00 0.00 O ATOM 1002 CB GLU A 64 7.460 1.052 -5.197 1.00 0.00 C ATOM 1003 CG GLU A 64 7.762 -0.421 -4.978 1.00 0.00 C ATOM 1004 CD GLU A 64 8.769 -0.652 -3.868 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.701 0.063 -2.846 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.625 -1.548 -4.021 1.00 0.00 O ATOM 0 H GLU A 64 8.720 1.237 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 64 5.981 0.994 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.355 1.634 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.693 1.366 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.837 -0.946 -4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.143 -0.851 -5.904 1.00 0.00 H new ATOM 1013 N GLY A 65 6.149 3.576 -6.035 1.00 0.00 N ATOM 1014 CA GLY A 65 6.049 5.020 -6.147 1.00 0.00 C ATOM 1015 C GLY A 65 4.838 5.575 -5.424 1.00 0.00 C ATOM 1016 O GLY A 65 3.972 4.821 -4.979 1.00 0.00 O ATOM 0 H GLY A 65 5.551 3.159 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.952 5.476 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.998 5.297 -7.200 1.00 0.00 H new ATOM 1020 N TYR A 66 4.776 6.896 -5.305 1.00 0.00 N ATOM 1021 CA TYR A 66 3.664 7.552 -4.627 1.00 0.00 C ATOM 1022 C TYR A 66 2.493 7.764 -5.582 1.00 0.00 C ATOM 1023 O TYR A 66 2.543 8.624 -6.462 1.00 0.00 O ATOM 1024 CB TYR A 66 4.113 8.893 -4.046 1.00 0.00 C ATOM 1025 CG TYR A 66 5.003 8.760 -2.831 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.578 8.060 -1.708 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.268 9.333 -2.806 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.388 7.936 -0.596 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.085 9.212 -1.699 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.641 8.513 -0.596 1.00 0.00 C ATOM 1031 OH TYR A 66 7.451 8.392 0.509 1.00 0.00 O ATOM 0 H TYR A 66 5.483 7.534 -5.669 1.00 0.00 H new ATOM 0 HA TYR A 66 3.334 6.905 -3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.644 9.453 -4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.232 9.476 -3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.598 7.606 -1.705 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.619 9.883 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.042 7.390 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.067 9.662 -1.697 1.00 0.00 H new ATOM 0 HH TYR A 66 8.299 8.855 0.345 1.00 0.00 H new ATOM 1041 N VAL A 67 1.439 6.974 -5.401 1.00 0.00 N ATOM 1042 CA VAL A 67 0.254 7.076 -6.245 1.00 0.00 C ATOM 1043 C VAL A 67 -0.937 7.609 -5.456 1.00 0.00 C ATOM 1044 O VAL A 67 -1.028 7.451 -4.239 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.118 5.712 -6.856 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.861 5.336 -7.958 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.159 4.639 -5.779 1.00 0.00 C ATOM 0 H VAL A 67 1.382 6.257 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 67 0.495 7.772 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.112 5.790 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.582 4.369 -8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.835 6.093 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.868 5.275 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.423 3.682 -6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.820 4.560 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.903 4.905 -5.028 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.874 8.256 -6.165 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.078 8.825 -5.553 1.00 0.00 C ATOM 1059 C PRO A 68 -4.046 7.751 -5.070 1.00 0.00 C ATOM 1060 O PRO A 68 -4.590 6.988 -5.868 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.704 9.638 -6.689 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.210 8.988 -7.936 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.830 8.482 -7.620 1.00 0.00 C ATOM 0 HA PRO A 68 -2.844 9.415 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.793 9.619 -6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.401 10.684 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.866 8.171 -8.236 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.186 9.698 -8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.605 7.564 -8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.064 9.208 -7.891 1.00 0.00 H new ATOM 1071 N SER A 69 -4.256 7.696 -3.759 1.00 0.00 N ATOM 1072 CA SER A 69 -5.157 6.712 -3.169 1.00 0.00 C ATOM 1073 C SER A 69 -6.514 6.733 -3.865 1.00 0.00 C ATOM 1074 O SER A 69 -7.164 5.698 -4.014 1.00 0.00 O ATOM 1075 CB SER A 69 -5.333 6.982 -1.674 1.00 0.00 C ATOM 1076 OG SER A 69 -6.092 8.158 -1.454 1.00 0.00 O ATOM 0 H SER A 69 -3.815 8.321 -3.085 1.00 0.00 H new ATOM 0 HA SER A 69 -4.715 5.725 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.828 6.133 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.356 7.083 -1.202 1.00 0.00 H new ATOM 0 HG SER A 69 -5.790 8.593 -0.629 1.00 0.00 H new ATOM 1082 N SER A 70 -6.937 7.920 -4.289 1.00 0.00 N ATOM 1083 CA SER A 70 -8.219 8.078 -4.965 1.00 0.00 C ATOM 1084 C SER A 70 -8.368 7.060 -6.092 1.00 0.00 C ATOM 1085 O SER A 70 -9.433 6.471 -6.275 1.00 0.00 O ATOM 1086 CB SER A 70 -8.354 9.496 -5.522 1.00 0.00 C ATOM 1087 OG SER A 70 -7.100 9.998 -5.950 1.00 0.00 O ATOM 0 H SER A 70 -6.410 8.786 -4.176 1.00 0.00 H new ATOM 0 HA SER A 70 -9.010 7.905 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.054 9.497 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.770 10.152 -4.758 1.00 0.00 H new ATOM 0 HG SER A 70 -7.214 10.905 -6.303 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.291 6.859 -6.845 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.301 5.915 -7.956 1.00 0.00 C ATOM 1095 C TYR A 71 -7.367 4.478 -7.449 1.00 0.00 C ATOM 1096 O TYR A 71 -8.137 3.662 -7.957 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.057 6.105 -8.825 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.131 7.311 -9.734 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.592 8.534 -9.262 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.742 7.227 -11.065 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.662 9.638 -10.089 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.808 8.326 -11.899 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.269 9.529 -11.407 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.337 10.626 -12.235 1.00 0.00 O ATOM 0 H TYR A 71 -6.401 7.337 -6.706 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.189 6.110 -8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.184 6.201 -8.179 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.908 5.212 -9.432 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.901 8.623 -8.231 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.382 6.286 -11.454 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.022 10.581 -9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.500 8.244 -12.931 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.022 10.380 -13.130 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.554 4.175 -6.443 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.518 2.836 -5.865 1.00 0.00 C ATOM 1116 C LEU A 72 -7.803 2.540 -5.098 1.00 0.00 C ATOM 1117 O LEU A 72 -8.321 3.394 -4.379 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.312 2.692 -4.935 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.938 2.761 -5.603 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.834 2.744 -4.557 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.763 1.611 -6.584 1.00 0.00 C ATOM 0 H LEU A 72 -5.911 4.838 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.428 2.118 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.366 3.475 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.393 1.739 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.872 3.698 -6.156 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.864 2.794 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.948 3.602 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.898 1.824 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.780 1.676 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.851 0.663 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.533 1.668 -7.353 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.312 1.322 -5.255 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.535 0.911 -4.575 1.00 0.00 C ATOM 1135 C VAL A 73 -9.358 -0.441 -3.894 1.00 0.00 C ATOM 1136 O VAL A 73 -8.650 -1.313 -4.399 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.721 0.828 -5.555 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.690 1.994 -6.531 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.707 -0.500 -6.297 1.00 0.00 C ATOM 0 H VAL A 73 -7.897 0.603 -5.847 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.748 1.669 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.647 0.889 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.535 1.918 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.753 2.932 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.760 1.968 -7.099 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.552 -0.541 -6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.777 -0.594 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.782 -1.318 -5.580 1.00 0.00 H new ATOM 1149 N GLU A 74 -10.005 -0.609 -2.745 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.918 -1.856 -1.995 1.00 0.00 C ATOM 1151 C GLU A 74 -10.678 -2.972 -2.704 1.00 0.00 C ATOM 1152 O GLU A 74 -11.907 -2.955 -2.775 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.471 -1.666 -0.581 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.944 -2.680 0.420 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.928 -2.960 1.540 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.980 -2.160 2.497 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -11.646 -3.979 1.459 1.00 0.00 O ATOM 0 H GLU A 74 -10.595 0.103 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.867 -2.139 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.222 -0.663 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.559 -1.732 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.715 -3.611 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.010 -2.313 0.845 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.938 -3.942 -3.230 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.539 -5.068 -3.934 1.00 0.00 C ATOM 1166 C LYS A 75 -11.700 -5.653 -3.135 1.00 0.00 C ATOM 1167 O LYS A 75 -11.493 -6.330 -2.128 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.491 -6.151 -4.197 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.074 -7.444 -4.741 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.179 -7.415 -6.256 1.00 0.00 C ATOM 1171 CE LYS A 75 -10.377 -8.810 -6.829 1.00 0.00 C ATOM 1172 NZ LYS A 75 -10.382 -8.803 -8.318 1.00 0.00 N ATOM 0 H LYS A 75 -8.920 -3.971 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.923 -4.704 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.755 -5.768 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.960 -6.364 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.449 -8.283 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.062 -7.608 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.012 -6.778 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.275 -6.973 -6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.583 -9.465 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.318 -9.222 -6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.813 -9.683 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.931 -7.989 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.405 -8.733 -8.668 1.00 0.00 H new