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 27:sc= 0.0198 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -4.18! C(o=-4.2!,f=-5.5!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 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= -0.176 X(o=-0.18,f=-0.09) USER MOD Single : A 58 GLN : amide:sc=-0.00625 X(o=-0.0063,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.28 K(o=-0.28,f=1.1) USER MOD Single : A 63 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.21) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -141:sc= 0.55 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+ -179:sc= 0.0297 (180deg=0.0295) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.229 -6.967 1.283 1.00 0.00 N ATOM 272 CA THR A 20 -4.204 -5.984 0.829 1.00 0.00 C ATOM 273 C THR A 20 -3.963 -5.601 -0.627 1.00 0.00 C ATOM 274 O THR A 20 -3.006 -4.894 -0.943 1.00 0.00 O ATOM 275 CB THR A 20 -4.164 -4.711 1.695 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.542 -5.022 3.041 1.00 0.00 O ATOM 277 CG2 THR A 20 -5.094 -3.645 1.136 1.00 0.00 C ATOM 0 HA THR A 20 -5.186 -6.448 0.922 1.00 0.00 H new ATOM 0 HB THR A 20 -3.145 -4.323 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.324 -5.958 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.048 -2.756 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.786 -3.389 0.122 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.115 -4.025 1.120 1.00 0.00 H new ATOM 285 N VAL A 21 -4.836 -6.073 -1.511 1.00 0.00 N ATOM 286 CA VAL A 21 -4.719 -5.779 -2.934 1.00 0.00 C ATOM 287 C VAL A 21 -5.671 -4.662 -3.345 1.00 0.00 C ATOM 288 O VAL A 21 -6.834 -4.642 -2.940 1.00 0.00 O ATOM 289 CB VAL A 21 -5.008 -7.026 -3.791 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.933 -6.686 -5.271 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.039 -8.147 -3.443 1.00 0.00 C ATOM 0 H VAL A 21 -5.633 -6.661 -1.266 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.692 -5.459 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.019 -7.369 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.140 -7.579 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.670 -5.918 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.935 -6.317 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.257 -9.020 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.018 -7.817 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.147 -8.408 -2.390 1.00 0.00 H new ATOM 301 N VAL A 22 -5.171 -3.732 -4.153 1.00 0.00 N ATOM 302 CA VAL A 22 -5.978 -2.612 -4.621 1.00 0.00 C ATOM 303 C VAL A 22 -5.910 -2.482 -6.138 1.00 0.00 C ATOM 304 O VAL A 22 -4.934 -2.897 -6.764 1.00 0.00 O ATOM 305 CB VAL A 22 -5.521 -1.286 -3.982 1.00 0.00 C ATOM 306 CG1 VAL A 22 -6.049 -1.168 -2.561 1.00 0.00 C ATOM 307 CG2 VAL A 22 -4.004 -1.178 -4.007 1.00 0.00 C ATOM 0 H VAL A 22 -4.211 -3.733 -4.497 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.006 -2.816 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.931 -0.461 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.716 -0.226 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.139 -1.197 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.671 -1.997 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.699 -0.236 -3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.571 -2.008 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.654 -1.213 -5.039 1.00 0.00 H new ATOM 317 N ILE A 23 -6.953 -1.903 -6.724 1.00 0.00 N ATOM 318 CA ILE A 23 -7.012 -1.717 -8.168 1.00 0.00 C ATOM 319 C ILE A 23 -7.136 -0.241 -8.528 1.00 0.00 C ATOM 320 O ILE A 23 -7.641 0.560 -7.741 1.00 0.00 O ATOM 321 CB ILE A 23 -8.193 -2.487 -8.788 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.255 -3.909 -8.226 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.070 -2.515 -10.304 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.102 -4.029 -6.978 1.00 0.00 C ATOM 0 H ILE A 23 -7.769 -1.555 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.080 -2.110 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.119 -1.974 -8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.653 -4.576 -8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.243 -4.247 -8.003 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.912 -3.063 -10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.071 -1.495 -10.688 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.139 -3.008 -10.584 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.101 -5.064 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.693 -3.388 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.124 -3.722 -7.201 1.00 0.00 H new ATOM 336 N ALA A 24 -6.675 0.113 -9.723 1.00 0.00 N ATOM 337 CA ALA A 24 -6.739 1.492 -10.189 1.00 0.00 C ATOM 338 C ALA A 24 -7.997 1.735 -11.016 1.00 0.00 C ATOM 339 O ALA A 24 -8.358 0.922 -11.868 1.00 0.00 O ATOM 340 CB ALA A 24 -5.497 1.833 -11.000 1.00 0.00 C ATOM 0 H ALA A 24 -6.253 -0.537 -10.386 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.779 2.143 -9.316 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.558 2.866 -11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.611 1.708 -10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.432 1.169 -11.862 1.00 0.00 H new ATOM 346 N LEU A 25 -8.660 2.857 -10.759 1.00 0.00 N ATOM 347 CA LEU A 25 -9.879 3.206 -11.480 1.00 0.00 C ATOM 348 C LEU A 25 -9.552 3.891 -12.803 1.00 0.00 C ATOM 349 O LEU A 25 -10.327 3.823 -13.758 1.00 0.00 O ATOM 350 CB LEU A 25 -10.758 4.120 -10.624 1.00 0.00 C ATOM 351 CG LEU A 25 -11.111 3.598 -9.230 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.430 4.752 -8.293 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.282 2.629 -9.305 1.00 0.00 C ATOM 0 H LEU A 25 -8.374 3.540 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.422 2.285 -11.693 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.251 5.079 -10.514 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.685 4.310 -11.165 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.248 3.064 -8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.679 4.361 -7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.563 5.408 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.277 5.315 -8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.520 2.267 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.150 3.139 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.016 1.785 -9.942 1.00 0.00 H new ATOM 365 N TYR A 26 -8.399 4.548 -12.854 1.00 0.00 N ATOM 366 CA TYR A 26 -7.969 5.246 -14.060 1.00 0.00 C ATOM 367 C TYR A 26 -6.458 5.139 -14.242 1.00 0.00 C ATOM 368 O TYR A 26 -5.730 4.814 -13.304 1.00 0.00 O ATOM 369 CB TYR A 26 -8.384 6.717 -13.999 1.00 0.00 C ATOM 370 CG TYR A 26 -9.695 6.947 -13.282 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.741 7.065 -11.898 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.888 7.047 -13.988 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.937 7.275 -11.239 1.00 0.00 C ATOM 374 CE2 TYR A 26 -12.088 7.258 -13.337 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.107 7.371 -11.963 1.00 0.00 C ATOM 376 OH TYR A 26 -13.300 7.581 -11.309 1.00 0.00 O ATOM 0 H TYR A 26 -7.745 4.612 -12.074 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.454 4.774 -14.915 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.601 7.286 -13.498 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.462 7.106 -15.014 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.827 6.991 -11.328 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.877 6.958 -15.064 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.956 7.364 -10.163 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.006 7.334 -13.901 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.028 7.626 -11.963 1.00 0.00 H new ATOM 386 N ASP A 27 -5.994 5.416 -15.455 1.00 0.00 N ATOM 387 CA ASP A 27 -4.570 5.353 -15.762 1.00 0.00 C ATOM 388 C ASP A 27 -3.870 6.647 -15.360 1.00 0.00 C ATOM 389 O ASP A 27 -3.846 7.614 -16.122 1.00 0.00 O ATOM 390 CB ASP A 27 -4.358 5.086 -17.253 1.00 0.00 C ATOM 391 CG ASP A 27 -5.378 4.117 -17.818 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.506 4.556 -18.128 1.00 0.00 O ATOM 393 OD2 ASP A 27 -5.049 2.920 -17.951 1.00 0.00 O ATOM 0 H ASP A 27 -6.583 5.687 -16.242 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.137 4.533 -15.189 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.414 6.028 -17.799 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.356 4.686 -17.409 1.00 0.00 H new ATOM 398 N TYR A 28 -3.303 6.659 -14.159 1.00 0.00 N ATOM 399 CA TYR A 28 -2.605 7.836 -13.654 1.00 0.00 C ATOM 400 C TYR A 28 -1.228 7.971 -14.297 1.00 0.00 C ATOM 401 O TYR A 28 -0.429 7.035 -14.277 1.00 0.00 O ATOM 402 CB TYR A 28 -2.465 7.758 -12.133 1.00 0.00 C ATOM 403 CG TYR A 28 -1.660 8.892 -11.540 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.081 10.210 -11.669 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.479 8.646 -10.851 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.348 11.250 -11.130 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.259 9.679 -10.307 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.179 10.979 -10.450 1.00 0.00 C ATOM 409 OH TYR A 28 0.553 12.012 -9.910 1.00 0.00 O ATOM 0 H TYR A 28 -3.313 5.867 -13.517 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.194 8.716 -13.913 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.459 7.756 -11.685 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.994 6.812 -11.868 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.997 10.425 -12.200 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.132 7.629 -10.739 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.688 12.269 -11.241 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.174 9.470 -9.773 1.00 0.00 H new ATOM 0 HH TYR A 28 1.347 11.652 -9.463 1.00 0.00 H new ATOM 507 N GLU A 35 7.043 9.414 -8.350 1.00 0.00 N ATOM 508 CA GLU A 35 5.648 9.036 -8.543 1.00 0.00 C ATOM 509 C GLU A 35 5.528 7.884 -9.537 1.00 0.00 C ATOM 510 O GLU A 35 6.320 7.773 -10.473 1.00 0.00 O ATOM 511 CB GLU A 35 4.834 10.235 -9.034 1.00 0.00 C ATOM 512 CG GLU A 35 4.736 11.362 -8.020 1.00 0.00 C ATOM 513 CD GLU A 35 4.240 12.657 -8.632 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.708 13.009 -9.735 1.00 0.00 O ATOM 515 OE2 GLU A 35 3.383 13.318 -8.009 1.00 0.00 O ATOM 0 HA GLU A 35 5.252 8.706 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.285 10.619 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.829 9.900 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.064 11.064 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.716 11.528 -7.572 1.00 0.00 H new ATOM 522 N LEU A 36 4.533 7.030 -9.326 1.00 0.00 N ATOM 523 CA LEU A 36 4.309 5.885 -10.202 1.00 0.00 C ATOM 524 C LEU A 36 3.050 6.080 -11.041 1.00 0.00 C ATOM 525 O LEU A 36 2.074 6.674 -10.584 1.00 0.00 O ATOM 526 CB LEU A 36 4.193 4.602 -9.378 1.00 0.00 C ATOM 527 CG LEU A 36 3.824 3.337 -10.154 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.066 2.696 -10.753 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.096 2.351 -9.251 1.00 0.00 C ATOM 0 H LEU A 36 3.868 7.108 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 36 5.163 5.801 -10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.144 4.430 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.444 4.759 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 36 3.156 3.616 -10.969 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.783 1.797 -11.301 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.547 3.400 -11.433 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.760 2.431 -9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.841 1.457 -9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.741 2.078 -8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.184 2.811 -8.870 1.00 0.00 H new ATOM 541 N ALA A 37 3.080 5.574 -12.269 1.00 0.00 N ATOM 542 CA ALA A 37 1.939 5.688 -13.170 1.00 0.00 C ATOM 543 C ALA A 37 1.049 4.452 -13.089 1.00 0.00 C ATOM 544 O ALA A 37 1.428 3.371 -13.541 1.00 0.00 O ATOM 545 CB ALA A 37 2.415 5.905 -14.599 1.00 0.00 C ATOM 0 H ALA A 37 3.881 5.081 -12.663 1.00 0.00 H new ATOM 0 HA ALA A 37 1.348 6.550 -12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.553 5.988 -15.261 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.003 6.821 -14.651 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.031 5.061 -14.910 1.00 0.00 H new ATOM 551 N LEU A 38 -0.134 4.619 -12.510 1.00 0.00 N ATOM 552 CA LEU A 38 -1.079 3.516 -12.368 1.00 0.00 C ATOM 553 C LEU A 38 -1.657 3.118 -13.722 1.00 0.00 C ATOM 554 O LEU A 38 -1.640 3.902 -14.671 1.00 0.00 O ATOM 555 CB LEU A 38 -2.209 3.906 -11.413 1.00 0.00 C ATOM 556 CG LEU A 38 -1.873 3.859 -9.922 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.979 4.509 -9.106 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.647 2.424 -9.471 1.00 0.00 C ATOM 0 H LEU A 38 -0.463 5.507 -12.131 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.543 2.661 -11.956 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.534 4.917 -11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.056 3.245 -11.595 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.952 4.419 -9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.723 4.467 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.092 5.549 -9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.916 3.978 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.409 2.410 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.550 1.840 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.819 1.992 -10.034 1.00 0.00 H new ATOM 570 N ARG A 39 -2.170 1.894 -13.804 1.00 0.00 N ATOM 571 CA ARG A 39 -2.755 1.392 -15.042 1.00 0.00 C ATOM 572 C ARG A 39 -4.198 0.951 -14.821 1.00 0.00 C ATOM 573 O ARG A 39 -4.507 0.271 -13.843 1.00 0.00 O ATOM 574 CB ARG A 39 -1.930 0.223 -15.583 1.00 0.00 C ATOM 575 CG ARG A 39 -2.537 -0.434 -16.811 1.00 0.00 C ATOM 576 CD ARG A 39 -2.286 0.389 -18.065 1.00 0.00 C ATOM 577 NE ARG A 39 -0.866 0.463 -18.396 1.00 0.00 N ATOM 578 CZ ARG A 39 -0.218 -0.481 -19.070 1.00 0.00 C ATOM 579 NH1 ARG A 39 -0.860 -1.564 -19.482 1.00 0.00 N ATOM 580 NH2 ARG A 39 1.075 -0.341 -19.332 1.00 0.00 N ATOM 0 H ARG A 39 -2.192 1.232 -13.028 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.748 2.201 -15.772 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.929 0.579 -15.829 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.818 -0.526 -14.799 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.114 -1.431 -16.938 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.610 -0.559 -16.665 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.831 -0.049 -18.901 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.678 1.396 -17.922 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.343 1.284 -18.093 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.854 -1.675 -19.282 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.360 -2.287 -19.999 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.572 0.492 -19.016 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.572 -1.066 -19.849 1.00 0.00 H new ATOM 594 N ARG A 40 -5.078 1.343 -15.737 1.00 0.00 N ATOM 595 CA ARG A 40 -6.489 0.989 -15.641 1.00 0.00 C ATOM 596 C ARG A 40 -6.676 -0.524 -15.699 1.00 0.00 C ATOM 597 O ARG A 40 -6.214 -1.181 -16.631 1.00 0.00 O ATOM 598 CB ARG A 40 -7.281 1.655 -16.768 1.00 0.00 C ATOM 599 CG ARG A 40 -8.787 1.507 -16.625 1.00 0.00 C ATOM 600 CD ARG A 40 -9.528 2.629 -17.335 1.00 0.00 C ATOM 601 NE ARG A 40 -9.711 2.351 -18.757 1.00 0.00 N ATOM 602 CZ ARG A 40 -10.653 2.918 -19.502 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.492 3.791 -18.962 1.00 0.00 N ATOM 604 NH2 ARG A 40 -10.756 2.613 -20.789 1.00 0.00 N ATOM 0 H ARG A 40 -4.839 1.906 -16.554 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.863 1.347 -14.682 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.030 2.715 -16.799 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.971 1.226 -17.721 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.100 0.547 -17.035 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.055 1.505 -15.568 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.501 2.774 -16.866 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.975 3.561 -17.216 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.080 1.685 -19.203 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.415 4.028 -17.973 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.215 4.226 -19.536 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.111 1.942 -21.207 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.480 3.049 -21.360 1.00 0.00 H new ATOM 618 N ASN A 41 -7.356 -1.070 -14.696 1.00 0.00 N ATOM 619 CA ASN A 41 -7.602 -2.506 -14.633 1.00 0.00 C ATOM 620 C ASN A 41 -6.330 -3.260 -14.258 1.00 0.00 C ATOM 621 O ASN A 41 -5.913 -4.180 -14.961 1.00 0.00 O ATOM 622 CB ASN A 41 -8.132 -3.014 -15.975 1.00 0.00 C ATOM 623 CG ASN A 41 -8.928 -1.958 -16.719 1.00 0.00 C ATOM 624 OD1 ASN A 41 -8.500 -1.464 -17.762 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.092 -1.608 -16.184 1.00 0.00 N ATOM 0 H ASN A 41 -7.746 -0.540 -13.917 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.351 -2.687 -13.862 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.295 -3.338 -16.594 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.761 -3.888 -15.807 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.671 -0.903 -16.640 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.407 -2.044 -15.318 1.00 0.00 H new ATOM 632 N GLU A 42 -5.721 -2.864 -13.145 1.00 0.00 N ATOM 633 CA GLU A 42 -4.496 -3.503 -12.677 1.00 0.00 C ATOM 634 C GLU A 42 -4.428 -3.498 -11.152 1.00 0.00 C ATOM 635 O GLU A 42 -4.722 -2.489 -10.512 1.00 0.00 O ATOM 636 CB GLU A 42 -3.271 -2.793 -13.255 1.00 0.00 C ATOM 637 CG GLU A 42 -2.873 -3.293 -14.634 1.00 0.00 C ATOM 638 CD GLU A 42 -2.233 -4.667 -14.595 1.00 0.00 C ATOM 639 OE1 GLU A 42 -1.192 -4.817 -13.922 1.00 0.00 O ATOM 640 OE2 GLU A 42 -2.774 -5.592 -15.237 1.00 0.00 O ATOM 0 H GLU A 42 -6.055 -2.105 -12.551 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.503 -4.538 -13.020 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.474 -1.723 -13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.430 -2.924 -12.574 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.755 -3.326 -15.273 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.178 -2.585 -15.086 1.00 0.00 H new ATOM 647 N GLU A 43 -4.039 -4.632 -10.579 1.00 0.00 N ATOM 648 CA GLU A 43 -3.934 -4.758 -9.130 1.00 0.00 C ATOM 649 C GLU A 43 -2.562 -4.301 -8.642 1.00 0.00 C ATOM 650 O GLU A 43 -1.581 -4.345 -9.385 1.00 0.00 O ATOM 651 CB GLU A 43 -4.183 -6.206 -8.702 1.00 0.00 C ATOM 652 CG GLU A 43 -5.640 -6.628 -8.801 1.00 0.00 C ATOM 653 CD GLU A 43 -5.804 -8.127 -8.961 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.302 -8.875 -8.097 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.434 -8.551 -9.953 1.00 0.00 O ATOM 0 H GLU A 43 -3.791 -5.476 -11.095 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.693 -4.118 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.579 -6.868 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.845 -6.335 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.170 -6.302 -7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.104 -6.123 -9.648 1.00 0.00 H new ATOM 662 N TYR A 44 -2.502 -3.863 -7.390 1.00 0.00 N ATOM 663 CA TYR A 44 -1.252 -3.395 -6.803 1.00 0.00 C ATOM 664 C TYR A 44 -1.214 -3.679 -5.304 1.00 0.00 C ATOM 665 O TYR A 44 -2.149 -3.349 -4.574 1.00 0.00 O ATOM 666 CB TYR A 44 -1.077 -1.896 -7.053 1.00 0.00 C ATOM 667 CG TYR A 44 -0.846 -1.547 -8.506 1.00 0.00 C ATOM 668 CD1 TYR A 44 -1.904 -1.498 -9.405 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.430 -1.268 -8.980 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.698 -1.181 -10.734 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.645 -0.949 -10.307 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.422 -0.907 -11.180 1.00 0.00 C ATOM 673 OH TYR A 44 -0.212 -0.590 -12.502 1.00 0.00 O ATOM 0 H TYR A 44 -3.304 -3.822 -6.762 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.433 -3.935 -7.278 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.964 -1.371 -6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.235 -1.534 -6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.905 -1.711 -9.059 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.268 -1.301 -8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.532 -1.148 -11.420 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.643 -0.734 -10.659 1.00 0.00 H new ATOM 0 HH TYR A 44 0.742 -0.424 -12.651 1.00 0.00 H new ATOM 683 N CYS A 45 -0.126 -4.293 -4.854 1.00 0.00 N ATOM 684 CA CYS A 45 0.037 -4.624 -3.442 1.00 0.00 C ATOM 685 C CYS A 45 0.343 -3.374 -2.623 1.00 0.00 C ATOM 686 O CYS A 45 1.307 -2.658 -2.900 1.00 0.00 O ATOM 687 CB CYS A 45 1.155 -5.652 -3.263 1.00 0.00 C ATOM 688 SG CYS A 45 1.456 -6.122 -1.544 1.00 0.00 S ATOM 0 H CYS A 45 0.657 -4.572 -5.446 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.900 -5.051 -3.084 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.907 -6.546 -3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.076 -5.249 -3.685 1.00 0.00 H new ATOM 0 HG CYS A 45 2.417 -6.996 -1.495 1.00 0.00 H new ATOM 694 N LEU A 46 -0.483 -3.116 -1.616 1.00 0.00 N ATOM 695 CA LEU A 46 -0.302 -1.952 -0.756 1.00 0.00 C ATOM 696 C LEU A 46 0.869 -2.156 0.199 1.00 0.00 C ATOM 697 O LEU A 46 0.747 -2.851 1.209 1.00 0.00 O ATOM 698 CB LEU A 46 -1.580 -1.675 0.038 1.00 0.00 C ATOM 699 CG LEU A 46 -1.551 -0.449 0.951 1.00 0.00 C ATOM 700 CD1 LEU A 46 -1.367 0.820 0.134 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.824 -0.372 1.781 1.00 0.00 C ATOM 0 H LEU A 46 -1.285 -3.698 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.083 -1.094 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.404 -1.559 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.803 -2.551 0.647 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.704 -0.545 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.349 1.682 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.427 0.766 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.193 0.923 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.786 0.507 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.686 -0.299 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.913 -1.268 2.395 1.00 0.00 H new ATOM 713 N LEU A 47 2.004 -1.546 -0.126 1.00 0.00 N ATOM 714 CA LEU A 47 3.198 -1.659 0.705 1.00 0.00 C ATOM 715 C LEU A 47 2.992 -0.973 2.051 1.00 0.00 C ATOM 716 O LEU A 47 2.946 -1.628 3.092 1.00 0.00 O ATOM 717 CB LEU A 47 4.402 -1.047 -0.013 1.00 0.00 C ATOM 718 CG LEU A 47 4.826 -1.730 -1.314 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.849 -0.882 -2.054 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.385 -3.117 -1.031 1.00 0.00 C ATOM 0 H LEU A 47 2.123 -0.969 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 47 3.388 -2.717 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.178 -0.003 -0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.250 -1.055 0.671 1.00 0.00 H new ATOM 0 HG LEU A 47 3.946 -1.837 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.139 -1.384 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.414 0.089 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.729 -0.742 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.681 -3.588 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.253 -3.033 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.622 -3.725 -0.545 1.00 0.00 H new ATOM 732 N ASP A 48 2.866 0.349 2.022 1.00 0.00 N ATOM 733 CA ASP A 48 2.661 1.125 3.240 1.00 0.00 C ATOM 734 C ASP A 48 1.740 2.312 2.980 1.00 0.00 C ATOM 735 O ASP A 48 1.750 2.893 1.895 1.00 0.00 O ATOM 736 CB ASP A 48 4.002 1.615 3.790 1.00 0.00 C ATOM 737 CG ASP A 48 3.882 2.174 5.194 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.295 1.489 6.057 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.375 3.298 5.429 1.00 0.00 O ATOM 0 H ASP A 48 2.902 0.906 1.168 1.00 0.00 H new ATOM 0 HA ASP A 48 2.189 0.477 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.715 0.790 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.404 2.383 3.129 1.00 0.00 H new ATOM 744 N SER A 49 0.942 2.667 3.983 1.00 0.00 N ATOM 745 CA SER A 49 0.011 3.782 3.861 1.00 0.00 C ATOM 746 C SER A 49 0.450 4.955 4.732 1.00 0.00 C ATOM 747 O SER A 49 -0.379 5.656 5.313 1.00 0.00 O ATOM 748 CB SER A 49 -1.400 3.341 4.254 1.00 0.00 C ATOM 749 OG SER A 49 -1.418 2.794 5.561 1.00 0.00 O ATOM 0 H SER A 49 0.922 2.198 4.889 1.00 0.00 H new ATOM 0 HA SER A 49 0.006 4.107 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.078 4.193 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.765 2.601 3.542 1.00 0.00 H new ATOM 0 HG SER A 49 -2.331 2.521 5.789 1.00 0.00 H new ATOM 755 N SER A 50 1.760 5.162 4.817 1.00 0.00 N ATOM 756 CA SER A 50 2.312 6.248 5.620 1.00 0.00 C ATOM 757 C SER A 50 1.443 7.497 5.515 1.00 0.00 C ATOM 758 O SER A 50 1.192 8.176 6.510 1.00 0.00 O ATOM 759 CB SER A 50 3.740 6.567 5.172 1.00 0.00 C ATOM 760 OG SER A 50 4.338 7.528 6.024 1.00 0.00 O ATOM 0 H SER A 50 2.459 4.593 4.340 1.00 0.00 H new ATOM 0 HA SER A 50 2.329 5.925 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.337 5.655 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.729 6.941 4.148 1.00 0.00 H new ATOM 0 HG SER A 50 5.250 7.714 5.718 1.00 0.00 H new ATOM 766 N GLU A 51 0.987 7.793 4.301 1.00 0.00 N ATOM 767 CA GLU A 51 0.146 8.961 4.066 1.00 0.00 C ATOM 768 C GLU A 51 -1.285 8.545 3.738 1.00 0.00 C ATOM 769 O GLU A 51 -1.611 7.357 3.734 1.00 0.00 O ATOM 770 CB GLU A 51 0.717 9.806 2.924 1.00 0.00 C ATOM 771 CG GLU A 51 1.757 10.817 3.377 1.00 0.00 C ATOM 772 CD GLU A 51 1.173 11.894 4.270 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.082 12.408 3.945 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.807 12.224 5.294 1.00 0.00 O ATOM 0 H GLU A 51 1.186 7.241 3.467 1.00 0.00 H new ATOM 0 HA GLU A 51 0.133 9.556 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.164 9.144 2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.099 10.333 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.553 10.299 3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.211 11.282 2.502 1.00 0.00 H new ATOM 781 N ILE A 52 -2.133 9.530 3.465 1.00 0.00 N ATOM 782 CA ILE A 52 -3.529 9.266 3.137 1.00 0.00 C ATOM 783 C ILE A 52 -3.796 9.491 1.652 1.00 0.00 C ATOM 784 O ILE A 52 -4.411 8.656 0.988 1.00 0.00 O ATOM 785 CB ILE A 52 -4.479 10.158 3.958 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.280 9.909 5.454 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.924 9.899 3.559 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.063 10.858 6.334 1.00 0.00 C ATOM 0 H ILE A 52 -1.879 10.518 3.464 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.719 8.222 3.385 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.247 11.202 3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.574 8.885 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.220 9.998 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.584 10.536 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.054 10.121 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.171 8.853 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.874 10.623 7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.753 11.883 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.128 10.753 6.125 1.00 0.00 H new ATOM 800 N HIS A 53 -3.327 10.623 1.137 1.00 0.00 N ATOM 801 CA HIS A 53 -3.512 10.956 -0.271 1.00 0.00 C ATOM 802 C HIS A 53 -2.560 10.151 -1.151 1.00 0.00 C ATOM 803 O HIS A 53 -2.954 9.633 -2.196 1.00 0.00 O ATOM 804 CB HIS A 53 -3.291 12.452 -0.496 1.00 0.00 C ATOM 805 CG HIS A 53 -3.826 13.310 0.609 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.152 13.675 0.705 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.205 13.874 1.672 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.323 14.427 1.777 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.157 14.563 2.381 1.00 0.00 N ATOM 0 H HIS A 53 -2.816 11.325 1.673 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.535 10.701 -0.547 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.223 12.640 -0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.765 12.744 -1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.156 13.796 1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.258 14.858 2.104 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.991 15.094 3.236 1.00 0.00 H new ATOM 818 N TRP A 54 -1.308 10.051 -0.721 1.00 0.00 N ATOM 819 CA TRP A 54 -0.300 9.310 -1.470 1.00 0.00 C ATOM 820 C TRP A 54 0.053 8.005 -0.764 1.00 0.00 C ATOM 821 O TRP A 54 0.451 8.007 0.401 1.00 0.00 O ATOM 822 CB TRP A 54 0.958 10.161 -1.653 1.00 0.00 C ATOM 823 CG TRP A 54 0.670 11.551 -2.135 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.698 12.698 -1.395 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.308 11.938 -3.465 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.376 13.775 -2.184 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.133 13.336 -3.459 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.117 11.241 -4.661 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.225 14.046 -4.602 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.238 11.947 -5.794 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.406 13.338 -5.759 1.00 0.00 C ATOM 0 H TRP A 54 -0.966 10.474 0.142 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.714 9.071 -2.450 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.492 10.216 -0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.621 9.668 -2.364 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.938 12.751 -0.343 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.326 14.745 -1.871 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.245 10.169 -4.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.355 15.118 -4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.389 11.418 -6.723 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.684 13.861 -6.662 1.00 0.00 H new ATOM 842 N TRP A 55 -0.096 6.894 -1.476 1.00 0.00 N ATOM 843 CA TRP A 55 0.207 5.582 -0.916 1.00 0.00 C ATOM 844 C TRP A 55 1.362 4.924 -1.665 1.00 0.00 C ATOM 845 O TRP A 55 1.614 5.233 -2.829 1.00 0.00 O ATOM 846 CB TRP A 55 -1.029 4.683 -0.970 1.00 0.00 C ATOM 847 CG TRP A 55 -1.962 4.887 0.185 1.00 0.00 C ATOM 848 CD1 TRP A 55 -1.789 5.739 1.238 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.213 4.225 0.404 1.00 0.00 C ATOM 850 NE1 TRP A 55 -2.856 5.646 2.099 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.744 4.725 1.609 1.00 0.00 C ATOM 852 CE3 TRP A 55 -3.937 3.260 -0.302 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -4.963 4.291 2.122 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.147 2.830 0.209 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.651 3.345 1.410 1.00 0.00 C ATOM 0 H TRP A 55 -0.425 6.875 -2.441 1.00 0.00 H new ATOM 0 HA TRP A 55 0.503 5.718 0.124 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.566 4.871 -1.900 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -0.711 3.641 -0.991 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.938 6.390 1.374 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.969 6.177 2.963 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.558 2.858 -1.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.352 4.686 3.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.714 2.084 -0.327 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.601 2.989 1.782 1.00 0.00 H new ATOM 866 N ARG A 56 2.059 4.017 -0.989 1.00 0.00 N ATOM 867 CA ARG A 56 3.187 3.317 -1.591 1.00 0.00 C ATOM 868 C ARG A 56 2.785 1.911 -2.026 1.00 0.00 C ATOM 869 O ARG A 56 2.426 1.072 -1.199 1.00 0.00 O ATOM 870 CB ARG A 56 4.354 3.242 -0.604 1.00 0.00 C ATOM 871 CG ARG A 56 5.701 3.011 -1.270 1.00 0.00 C ATOM 872 CD ARG A 56 6.825 2.952 -0.247 1.00 0.00 C ATOM 873 NE ARG A 56 8.106 2.614 -0.861 1.00 0.00 N ATOM 874 CZ ARG A 56 9.149 2.153 -0.180 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.062 1.975 1.131 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.281 1.868 -0.810 1.00 0.00 N ATOM 0 H ARG A 56 1.863 3.750 -0.024 1.00 0.00 H new ATOM 0 HA ARG A 56 3.500 3.876 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.395 4.169 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.167 2.437 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.673 2.080 -1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.898 3.812 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.907 3.915 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.582 2.212 0.516 1.00 0.00 H new ATOM 0 HE ARG A 56 8.205 2.739 -1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.193 2.192 1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.864 1.621 1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.351 2.003 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.081 1.514 -0.286 1.00 0.00 H new ATOM 890 N VAL A 57 2.847 1.660 -3.330 1.00 0.00 N ATOM 891 CA VAL A 57 2.490 0.355 -3.876 1.00 0.00 C ATOM 892 C VAL A 57 3.536 -0.127 -4.875 1.00 0.00 C ATOM 893 O VAL A 57 4.400 0.638 -5.301 1.00 0.00 O ATOM 894 CB VAL A 57 1.114 0.394 -4.567 1.00 0.00 C ATOM 895 CG1 VAL A 57 0.056 0.940 -3.621 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.181 1.223 -5.841 1.00 0.00 C ATOM 0 H VAL A 57 3.141 2.343 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 57 2.447 -0.339 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 57 0.834 -0.624 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.909 0.960 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.009 0.301 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.327 1.951 -3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.200 1.240 -6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.483 2.241 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.908 0.783 -6.524 1.00 0.00 H new ATOM 906 N GLN A 58 3.449 -1.401 -5.245 1.00 0.00 N ATOM 907 CA GLN A 58 4.389 -1.985 -6.194 1.00 0.00 C ATOM 908 C GLN A 58 3.650 -2.725 -7.305 1.00 0.00 C ATOM 909 O GLN A 58 2.647 -3.394 -7.058 1.00 0.00 O ATOM 910 CB GLN A 58 5.344 -2.941 -5.477 1.00 0.00 C ATOM 911 CG GLN A 58 6.214 -3.754 -6.421 1.00 0.00 C ATOM 912 CD GLN A 58 7.313 -4.507 -5.698 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.355 -5.738 -5.718 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.212 -3.771 -5.055 1.00 0.00 N ATOM 0 H GLN A 58 2.738 -2.047 -4.902 1.00 0.00 H new ATOM 0 HA GLN A 58 4.965 -1.175 -6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.986 -2.367 -4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.764 -3.622 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.590 -4.463 -6.965 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.660 -3.090 -7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.139 -2.754 -5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.975 -4.223 -4.552 1.00 0.00 H new ATOM 923 N ASP A 59 4.153 -2.600 -8.528 1.00 0.00 N ATOM 924 CA ASP A 59 3.542 -3.257 -9.678 1.00 0.00 C ATOM 925 C ASP A 59 3.982 -4.715 -9.767 1.00 0.00 C ATOM 926 O ASP A 59 4.924 -5.131 -9.094 1.00 0.00 O ATOM 927 CB ASP A 59 3.908 -2.520 -10.967 1.00 0.00 C ATOM 928 CG ASP A 59 3.386 -3.225 -12.204 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.150 -3.297 -12.368 1.00 0.00 O ATOM 930 OD2 ASP A 59 4.213 -3.705 -13.007 1.00 0.00 O ATOM 0 H ASP A 59 4.983 -2.049 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 59 2.460 -3.230 -9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.504 -1.508 -10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.992 -2.428 -11.035 1.00 0.00 H new ATOM 935 N ARG A 60 3.292 -5.485 -10.602 1.00 0.00 N ATOM 936 CA ARG A 60 3.610 -6.897 -10.778 1.00 0.00 C ATOM 937 C ARG A 60 5.050 -7.075 -11.249 1.00 0.00 C ATOM 938 O ARG A 60 5.734 -8.015 -10.845 1.00 0.00 O ATOM 939 CB ARG A 60 2.650 -7.536 -11.783 1.00 0.00 C ATOM 940 CG ARG A 60 3.027 -8.958 -12.166 1.00 0.00 C ATOM 941 CD ARG A 60 1.849 -9.703 -12.773 1.00 0.00 C ATOM 942 NE ARG A 60 2.265 -10.932 -13.443 1.00 0.00 N ATOM 943 CZ ARG A 60 2.825 -10.959 -14.647 1.00 0.00 C ATOM 944 NH1 ARG A 60 3.036 -9.830 -15.309 1.00 0.00 N ATOM 945 NH2 ARG A 60 3.176 -12.117 -15.191 1.00 0.00 N ATOM 0 H ARG A 60 2.510 -5.155 -11.167 1.00 0.00 H new ATOM 0 HA ARG A 60 3.498 -7.392 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.644 -7.536 -11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.619 -6.922 -12.683 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.852 -8.937 -12.878 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.381 -9.492 -11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.129 -9.943 -11.990 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.340 -9.056 -13.487 1.00 0.00 H new ATOM 0 HE ARG A 60 2.117 -11.818 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.768 -8.938 -14.894 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.466 -9.854 -16.234 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.016 -12.988 -14.685 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.606 -12.137 -16.116 1.00 0.00 H new ATOM 959 N ASN A 61 5.504 -6.167 -12.107 1.00 0.00 N ATOM 960 CA ASN A 61 6.862 -6.225 -12.634 1.00 0.00 C ATOM 961 C ASN A 61 7.879 -5.849 -11.560 1.00 0.00 C ATOM 962 O ASN A 61 8.860 -6.559 -11.344 1.00 0.00 O ATOM 963 CB ASN A 61 7.005 -5.290 -13.837 1.00 0.00 C ATOM 964 CG ASN A 61 6.077 -5.667 -14.976 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.948 -5.185 -15.058 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.552 -6.535 -15.862 1.00 0.00 N ATOM 0 H ASN A 61 4.951 -5.382 -12.452 1.00 0.00 H new ATOM 0 HA ASN A 61 7.058 -7.249 -12.953 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.796 -4.267 -13.525 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.036 -5.311 -14.190 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.974 -6.827 -16.650 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.495 -6.909 -15.754 1.00 0.00 H new ATOM 973 N GLY A 62 7.636 -4.726 -10.890 1.00 0.00 N ATOM 974 CA GLY A 62 8.539 -4.276 -9.847 1.00 0.00 C ATOM 975 C GLY A 62 8.674 -2.766 -9.809 1.00 0.00 C ATOM 976 O GLY A 62 9.738 -2.239 -9.484 1.00 0.00 O ATOM 0 H GLY A 62 6.831 -4.121 -11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.179 -4.630 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.521 -4.722 -10.004 1.00 0.00 H new ATOM 980 N HIS A 63 7.593 -2.069 -10.144 1.00 0.00 N ATOM 981 CA HIS A 63 7.596 -0.610 -10.148 1.00 0.00 C ATOM 982 C HIS A 63 6.717 -0.062 -9.028 1.00 0.00 C ATOM 983 O HIS A 63 5.518 -0.335 -8.977 1.00 0.00 O ATOM 984 CB HIS A 63 7.109 -0.082 -11.498 1.00 0.00 C ATOM 985 CG HIS A 63 7.607 -0.876 -12.667 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.962 -0.906 -13.885 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.695 -1.670 -12.798 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.631 -1.686 -14.715 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.687 -2.162 -14.080 1.00 0.00 N ATOM 0 H HIS A 63 6.705 -2.490 -10.416 1.00 0.00 H new ATOM 0 HA HIS A 63 8.619 -0.273 -9.982 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.019 -0.082 -11.507 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.429 0.954 -11.610 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.432 -1.878 -12.036 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.361 -1.898 -15.739 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.383 -2.793 -14.477 1.00 0.00 H new ATOM 998 N GLU A 64 7.323 0.711 -8.132 1.00 0.00 N ATOM 999 CA GLU A 64 6.595 1.295 -7.011 1.00 0.00 C ATOM 1000 C GLU A 64 6.768 2.811 -6.981 1.00 0.00 C ATOM 1001 O GLU A 64 7.603 3.366 -7.694 1.00 0.00 O ATOM 1002 CB GLU A 64 7.075 0.690 -5.691 1.00 0.00 C ATOM 1003 CG GLU A 64 8.587 0.664 -5.547 1.00 0.00 C ATOM 1004 CD GLU A 64 9.144 1.966 -5.005 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.414 2.980 -5.032 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.309 1.973 -4.554 1.00 0.00 O ATOM 0 H GLU A 64 8.315 0.947 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 64 5.537 1.069 -7.142 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.650 1.259 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.693 -0.327 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.871 -0.153 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.037 0.457 -6.518 1.00 0.00 H new ATOM 1013 N GLY A 65 5.972 3.476 -6.149 1.00 0.00 N ATOM 1014 CA GLY A 65 6.051 4.921 -6.041 1.00 0.00 C ATOM 1015 C GLY A 65 4.864 5.514 -5.309 1.00 0.00 C ATOM 1016 O GLY A 65 4.055 4.786 -4.733 1.00 0.00 O ATOM 0 H GLY A 65 5.273 3.039 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.969 5.193 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.111 5.354 -7.039 1.00 0.00 H new ATOM 1020 N TYR A 66 4.761 6.838 -5.328 1.00 0.00 N ATOM 1021 CA TYR A 66 3.666 7.529 -4.656 1.00 0.00 C ATOM 1022 C TYR A 66 2.503 7.766 -5.614 1.00 0.00 C ATOM 1023 O TYR A 66 2.622 8.520 -6.580 1.00 0.00 O ATOM 1024 CB TYR A 66 4.151 8.862 -4.085 1.00 0.00 C ATOM 1025 CG TYR A 66 5.093 8.712 -2.912 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.767 7.899 -1.834 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.310 9.383 -2.882 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.624 7.759 -0.759 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.174 9.248 -1.813 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.826 8.435 -0.754 1.00 0.00 C ATOM 1031 OH TYR A 66 7.684 8.299 0.314 1.00 0.00 O ATOM 0 H TYR A 66 5.422 7.454 -5.801 1.00 0.00 H new ATOM 0 HA TYR A 66 3.317 6.897 -3.839 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.652 9.424 -4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.288 9.450 -3.774 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.827 7.367 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.585 10.021 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.354 7.124 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.116 9.776 -1.806 1.00 0.00 H new ATOM 0 HH TYR A 66 8.486 8.840 0.160 1.00 0.00 H new ATOM 1041 N VAL A 67 1.376 7.116 -5.338 1.00 0.00 N ATOM 1042 CA VAL A 67 0.189 7.257 -6.173 1.00 0.00 C ATOM 1043 C VAL A 67 -1.006 7.730 -5.354 1.00 0.00 C ATOM 1044 O VAL A 67 -1.087 7.512 -4.145 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.171 5.928 -6.865 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.754 5.673 -8.046 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.111 4.778 -5.872 1.00 0.00 C ATOM 0 H VAL A 67 1.261 6.487 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 67 0.423 8.003 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.191 5.999 -7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.485 4.730 -8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.656 6.485 -8.767 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.785 5.621 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.368 3.847 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.897 4.703 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.818 4.959 -5.063 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.958 8.395 -6.026 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.168 8.913 -5.380 1.00 0.00 C ATOM 1059 C PRO A 68 -4.114 7.799 -4.944 1.00 0.00 C ATOM 1060 O PRO A 68 -4.756 7.156 -5.776 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.815 9.768 -6.472 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.317 9.189 -7.751 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.927 8.691 -7.468 1.00 0.00 C ATOM 0 HA PRO A 68 -2.939 9.464 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.903 9.726 -6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.531 10.816 -6.375 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.961 8.377 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.309 9.939 -8.542 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.691 7.804 -8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.174 9.442 -7.708 1.00 0.00 H new ATOM 1071 N SER A 69 -4.198 7.577 -3.637 1.00 0.00 N ATOM 1072 CA SER A 69 -5.064 6.538 -3.092 1.00 0.00 C ATOM 1073 C SER A 69 -6.407 6.515 -3.816 1.00 0.00 C ATOM 1074 O SER A 69 -6.940 5.449 -4.125 1.00 0.00 O ATOM 1075 CB SER A 69 -5.284 6.762 -1.594 1.00 0.00 C ATOM 1076 OG SER A 69 -5.992 7.966 -1.357 1.00 0.00 O ATOM 0 H SER A 69 -3.677 8.103 -2.935 1.00 0.00 H new ATOM 0 HA SER A 69 -4.574 5.576 -3.241 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.838 5.922 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.322 6.796 -1.083 1.00 0.00 H new ATOM 0 HG SER A 69 -5.624 8.412 -0.566 1.00 0.00 H new ATOM 1082 N SER A 70 -6.948 7.699 -4.085 1.00 0.00 N ATOM 1083 CA SER A 70 -8.230 7.817 -4.769 1.00 0.00 C ATOM 1084 C SER A 70 -8.333 6.803 -5.906 1.00 0.00 C ATOM 1085 O SER A 70 -9.305 6.053 -5.996 1.00 0.00 O ATOM 1086 CB SER A 70 -8.412 9.234 -5.316 1.00 0.00 C ATOM 1087 OG SER A 70 -8.392 10.190 -4.271 1.00 0.00 O ATOM 0 H SER A 70 -6.518 8.591 -3.839 1.00 0.00 H new ATOM 0 HA SER A 70 -9.020 7.610 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.620 9.456 -6.031 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.357 9.300 -5.856 1.00 0.00 H new ATOM 0 HG SER A 70 -8.508 11.088 -4.647 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.325 6.789 -6.770 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.303 5.871 -7.903 1.00 0.00 C ATOM 1095 C TYR A 71 -7.360 4.421 -7.430 1.00 0.00 C ATOM 1096 O TYR A 71 -8.009 3.579 -8.051 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.044 6.095 -8.743 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.140 7.286 -9.670 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.424 8.554 -9.176 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.946 7.144 -11.038 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.513 9.645 -10.019 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -6.031 8.230 -11.888 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.315 9.478 -11.374 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.402 10.562 -12.217 1.00 0.00 O ATOM 0 H TYR A 71 -6.512 7.402 -6.708 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.182 6.070 -8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.192 6.231 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.847 5.200 -9.333 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.578 8.689 -8.115 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.725 6.168 -11.444 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.736 10.623 -9.619 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.876 8.102 -12.949 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.235 10.274 -13.139 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.677 4.139 -6.326 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.650 2.791 -5.768 1.00 0.00 C ATOM 1116 C LEU A 72 -7.947 2.482 -5.028 1.00 0.00 C ATOM 1117 O LEU A 72 -8.517 3.348 -4.363 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.459 2.635 -4.820 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.079 2.596 -5.476 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.993 2.430 -4.425 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -4.008 1.473 -6.501 1.00 0.00 C ATOM 0 H LEU A 72 -6.135 4.825 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.547 2.085 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.477 3.460 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.593 1.717 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.915 3.543 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.018 2.404 -4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.030 3.268 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.152 1.499 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.019 1.460 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.193 0.518 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.762 1.635 -7.272 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.409 1.241 -5.147 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.638 0.816 -4.487 1.00 0.00 C ATOM 1135 C VAL A 73 -9.480 -0.570 -3.872 1.00 0.00 C ATOM 1136 O VAL A 73 -8.845 -1.449 -4.454 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.825 0.798 -5.468 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.766 2.000 -6.399 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.841 -0.500 -6.261 1.00 0.00 C ATOM 0 H VAL A 73 -7.951 0.512 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.840 1.540 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.750 0.858 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.612 1.971 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.807 2.917 -5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.837 1.974 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.686 -0.496 -6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.914 -0.593 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.935 -1.343 -5.577 1.00 0.00 H new ATOM 1149 N GLU A 74 -10.063 -0.758 -2.692 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.986 -2.038 -1.998 1.00 0.00 C ATOM 1151 C GLU A 74 -10.729 -3.123 -2.774 1.00 0.00 C ATOM 1152 O GLU A 74 -11.958 -3.121 -2.844 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.569 -1.915 -0.588 1.00 0.00 C ATOM 1154 CG GLU A 74 -10.039 -2.957 0.382 1.00 0.00 C ATOM 1155 CD GLU A 74 -11.021 -3.271 1.494 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -11.036 -2.529 2.498 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -11.773 -4.259 1.360 1.00 0.00 O ATOM 0 H GLU A 74 -10.593 -0.041 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.936 -2.321 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.348 -0.922 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.654 -2.001 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.809 -3.872 -0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.105 -2.601 0.817 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.973 -4.047 -3.356 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.556 -5.139 -4.126 1.00 0.00 C ATOM 1166 C LYS A 75 -11.750 -5.744 -3.395 1.00 0.00 C ATOM 1167 O LYS A 75 -11.610 -6.281 -2.296 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.507 -6.221 -4.393 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.018 -7.367 -5.248 1.00 0.00 C ATOM 1170 CD LYS A 75 -8.894 -8.022 -6.032 1.00 0.00 C ATOM 1171 CE LYS A 75 -8.245 -9.148 -5.242 1.00 0.00 C ATOM 1172 NZ LYS A 75 -7.673 -10.194 -6.134 1.00 0.00 N ATOM 0 H LYS A 75 -8.954 -4.061 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.901 -4.734 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.647 -5.767 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.156 -6.618 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.500 -8.110 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.777 -6.997 -5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.284 -8.413 -6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.143 -7.274 -6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.457 -8.740 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.984 -9.600 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.255 -10.952 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.426 -10.590 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.938 -9.772 -6.737 1.00 0.00 H new