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 22:sc= 0.0866 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 151:sc= 0.0126 USER MOD Single : A 41 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.4!) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0997 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 -82:sc= 1.14 USER MOD Single : A 53 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.13) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.9!) USER MOD Single : A 63 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-0.94) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 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+ 170:sc= 0 (180deg=-0.0359) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.054 -7.145 1.229 1.00 0.00 N ATOM 272 CA THR A 20 -3.961 -6.113 0.742 1.00 0.00 C ATOM 273 C THR A 20 -3.721 -5.822 -0.735 1.00 0.00 C ATOM 274 O THR A 20 -2.604 -5.505 -1.142 1.00 0.00 O ATOM 275 CB THR A 20 -3.807 -4.806 1.543 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.003 -5.061 2.938 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.804 -3.760 1.068 1.00 0.00 C ATOM 0 HA THR A 20 -4.974 -6.494 0.874 1.00 0.00 H new ATOM 0 HB THR A 20 -2.799 -4.423 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.845 -6.010 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.676 -2.846 1.648 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.633 -3.547 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.818 -4.136 1.202 1.00 0.00 H new ATOM 285 N VAL A 21 -4.778 -5.932 -1.534 1.00 0.00 N ATOM 286 CA VAL A 21 -4.683 -5.679 -2.967 1.00 0.00 C ATOM 287 C VAL A 21 -5.673 -4.605 -3.402 1.00 0.00 C ATOM 288 O VAL A 21 -6.872 -4.710 -3.145 1.00 0.00 O ATOM 289 CB VAL A 21 -4.941 -6.960 -3.782 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.988 -6.647 -5.269 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.876 -8.005 -3.483 1.00 0.00 C ATOM 0 H VAL A 21 -5.710 -6.195 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.668 -5.333 -3.160 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.909 -7.366 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.171 -7.564 -5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.790 -5.936 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.036 -6.216 -5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.074 -8.904 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.895 -7.610 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.896 -8.251 -2.421 1.00 0.00 H new ATOM 301 N VAL A 22 -5.163 -3.570 -4.064 1.00 0.00 N ATOM 302 CA VAL A 22 -6.003 -2.477 -4.537 1.00 0.00 C ATOM 303 C VAL A 22 -5.983 -2.387 -6.059 1.00 0.00 C ATOM 304 O VAL A 22 -5.025 -2.816 -6.703 1.00 0.00 O ATOM 305 CB VAL A 22 -5.551 -1.127 -3.948 1.00 0.00 C ATOM 306 CG1 VAL A 22 -6.096 -0.949 -2.539 1.00 0.00 C ATOM 307 CG2 VAL A 22 -4.033 -1.023 -3.959 1.00 0.00 C ATOM 0 H VAL A 22 -4.172 -3.467 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.018 -2.690 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.952 -0.327 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.766 0.010 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.185 -0.976 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.728 -1.753 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.731 -0.063 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.609 -1.830 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.670 -1.101 -4.984 1.00 0.00 H new ATOM 317 N ILE A 23 -7.045 -1.827 -6.627 1.00 0.00 N ATOM 318 CA ILE A 23 -7.149 -1.680 -8.073 1.00 0.00 C ATOM 319 C ILE A 23 -7.241 -0.211 -8.471 1.00 0.00 C ATOM 320 O ILE A 23 -7.795 0.608 -7.738 1.00 0.00 O ATOM 321 CB ILE A 23 -8.375 -2.429 -8.629 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.419 -3.856 -8.080 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.343 -2.441 -10.150 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.139 -3.971 -6.755 1.00 0.00 C ATOM 0 H ILE A 23 -7.846 -1.467 -6.108 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.245 -2.114 -8.500 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.277 -1.908 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.909 -4.502 -8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.399 -4.224 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.216 -2.974 -10.528 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.354 -1.417 -10.522 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.437 -2.941 -10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.132 -5.010 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.636 -3.352 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.169 -3.634 -6.870 1.00 0.00 H new ATOM 336 N ALA A 24 -6.697 0.116 -9.639 1.00 0.00 N ATOM 337 CA ALA A 24 -6.721 1.486 -10.136 1.00 0.00 C ATOM 338 C ALA A 24 -7.914 1.714 -11.059 1.00 0.00 C ATOM 339 O ALA A 24 -8.025 1.086 -12.113 1.00 0.00 O ATOM 340 CB ALA A 24 -5.422 1.807 -10.861 1.00 0.00 C ATOM 0 H ALA A 24 -6.234 -0.549 -10.258 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.823 2.155 -9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.454 2.833 -11.227 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.584 1.692 -10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.297 1.125 -11.702 1.00 0.00 H new ATOM 346 N LEU A 25 -8.803 2.614 -10.656 1.00 0.00 N ATOM 347 CA LEU A 25 -9.989 2.924 -11.447 1.00 0.00 C ATOM 348 C LEU A 25 -9.603 3.495 -12.807 1.00 0.00 C ATOM 349 O LEU A 25 -10.321 3.320 -13.792 1.00 0.00 O ATOM 350 CB LEU A 25 -10.880 3.918 -10.698 1.00 0.00 C ATOM 351 CG LEU A 25 -11.376 3.471 -9.323 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.592 4.674 -8.417 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.658 2.663 -9.455 1.00 0.00 C ATOM 0 H LEU A 25 -8.726 3.142 -9.787 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.541 1.998 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.328 4.850 -10.578 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.747 4.139 -11.321 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.615 2.834 -8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.945 4.337 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.652 5.212 -8.296 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.334 5.336 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.996 2.353 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.427 3.275 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.471 1.781 -10.067 1.00 0.00 H new ATOM 365 N TYR A 26 -8.463 4.176 -12.855 1.00 0.00 N ATOM 366 CA TYR A 26 -7.981 4.772 -14.095 1.00 0.00 C ATOM 367 C TYR A 26 -6.474 4.586 -14.239 1.00 0.00 C ATOM 368 O TYR A 26 -5.798 4.153 -13.305 1.00 0.00 O ATOM 369 CB TYR A 26 -8.328 6.262 -14.138 1.00 0.00 C ATOM 370 CG TYR A 26 -9.660 6.591 -13.503 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.768 6.797 -12.134 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.811 6.698 -14.274 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.983 7.098 -11.550 1.00 0.00 C ATOM 374 CE2 TYR A 26 -12.031 7.000 -13.699 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.111 7.199 -12.337 1.00 0.00 C ATOM 376 OH TYR A 26 -13.324 7.499 -11.759 1.00 0.00 O ATOM 0 H TYR A 26 -7.856 4.329 -12.050 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.473 4.267 -14.926 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.544 6.824 -13.630 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.338 6.595 -15.176 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.886 6.721 -11.515 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.751 6.542 -15.341 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.049 7.253 -10.483 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.916 7.080 -14.313 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.017 7.534 -12.451 1.00 0.00 H new ATOM 386 N ASP A 27 -5.954 4.915 -15.416 1.00 0.00 N ATOM 387 CA ASP A 27 -4.526 4.786 -15.684 1.00 0.00 C ATOM 388 C ASP A 27 -3.794 6.087 -15.371 1.00 0.00 C ATOM 389 O ASP A 27 -3.682 6.969 -16.223 1.00 0.00 O ATOM 390 CB ASP A 27 -4.293 4.394 -17.144 1.00 0.00 C ATOM 391 CG ASP A 27 -4.665 5.503 -18.108 1.00 0.00 C ATOM 392 OD1 ASP A 27 -5.623 6.248 -17.814 1.00 0.00 O ATOM 393 OD2 ASP A 27 -3.998 5.627 -19.157 1.00 0.00 O ATOM 0 H ASP A 27 -6.500 5.273 -16.200 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.130 4.003 -15.038 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.244 4.132 -17.284 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.878 3.504 -17.376 1.00 0.00 H new ATOM 398 N TYR A 28 -3.299 6.201 -14.144 1.00 0.00 N ATOM 399 CA TYR A 28 -2.582 7.396 -13.717 1.00 0.00 C ATOM 400 C TYR A 28 -1.239 7.510 -14.433 1.00 0.00 C ATOM 401 O TYR A 28 -0.711 6.524 -14.945 1.00 0.00 O ATOM 402 CB TYR A 28 -2.364 7.372 -12.203 1.00 0.00 C ATOM 403 CG TYR A 28 -1.560 8.545 -11.688 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.018 9.847 -11.841 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.343 8.350 -11.046 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.287 10.921 -11.373 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.394 9.418 -10.573 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.082 10.702 -10.740 1.00 0.00 C ATOM 409 OH TYR A 28 0.649 11.769 -10.271 1.00 0.00 O ATOM 0 H TYR A 28 -3.381 5.480 -13.427 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.187 8.264 -13.977 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.333 7.360 -11.705 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.855 6.447 -11.932 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.962 10.023 -12.335 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.033 7.346 -10.915 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.657 11.927 -11.502 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.337 9.249 -10.075 1.00 0.00 H new ATOM 0 HH TYR A 28 1.179 11.487 -9.497 1.00 0.00 H new ATOM 507 N GLU A 35 7.315 9.157 -8.144 1.00 0.00 N ATOM 508 CA GLU A 35 5.916 8.765 -8.268 1.00 0.00 C ATOM 509 C GLU A 35 5.758 7.623 -9.267 1.00 0.00 C ATOM 510 O GLU A 35 6.604 7.426 -10.141 1.00 0.00 O ATOM 511 CB GLU A 35 5.065 9.960 -8.703 1.00 0.00 C ATOM 512 CG GLU A 35 4.740 10.920 -7.572 1.00 0.00 C ATOM 513 CD GLU A 35 3.987 12.148 -8.046 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.640 13.081 -8.561 1.00 0.00 O ATOM 515 OE2 GLU A 35 2.747 12.177 -7.904 1.00 0.00 O ATOM 0 HA GLU A 35 5.574 8.421 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.591 10.502 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.134 9.594 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.145 10.401 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.665 11.231 -7.087 1.00 0.00 H new ATOM 522 N LEU A 36 4.670 6.873 -9.132 1.00 0.00 N ATOM 523 CA LEU A 36 4.399 5.750 -10.022 1.00 0.00 C ATOM 524 C LEU A 36 3.111 5.975 -10.808 1.00 0.00 C ATOM 525 O LEU A 36 2.135 6.506 -10.280 1.00 0.00 O ATOM 526 CB LEU A 36 4.301 4.451 -9.221 1.00 0.00 C ATOM 527 CG LEU A 36 4.008 3.185 -10.027 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.302 2.536 -10.492 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.184 2.206 -9.203 1.00 0.00 C ATOM 0 H LEU A 36 3.961 7.022 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 36 5.225 5.672 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.239 4.307 -8.685 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.519 4.569 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 36 3.429 3.465 -10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.073 1.637 -11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.854 3.235 -11.120 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.908 2.271 -9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.985 1.311 -9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.736 1.933 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.240 2.672 -8.921 1.00 0.00 H new ATOM 541 N ALA A 37 3.116 5.565 -12.072 1.00 0.00 N ATOM 542 CA ALA A 37 1.947 5.719 -12.929 1.00 0.00 C ATOM 543 C ALA A 37 1.094 4.455 -12.925 1.00 0.00 C ATOM 544 O ALA A 37 1.462 3.443 -13.525 1.00 0.00 O ATOM 545 CB ALA A 37 2.375 6.065 -14.348 1.00 0.00 C ATOM 0 H ALA A 37 3.916 5.124 -12.525 1.00 0.00 H new ATOM 0 HA ALA A 37 1.342 6.536 -12.534 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.492 6.177 -14.977 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.937 6.999 -14.341 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.003 5.267 -14.743 1.00 0.00 H new ATOM 551 N LEU A 38 -0.046 4.518 -12.246 1.00 0.00 N ATOM 552 CA LEU A 38 -0.951 3.377 -12.163 1.00 0.00 C ATOM 553 C LEU A 38 -1.541 3.050 -13.531 1.00 0.00 C ATOM 554 O LEU A 38 -1.492 3.867 -14.451 1.00 0.00 O ATOM 555 CB LEU A 38 -2.075 3.665 -11.166 1.00 0.00 C ATOM 556 CG LEU A 38 -1.672 3.694 -9.691 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.842 4.139 -8.827 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.169 2.328 -9.248 1.00 0.00 C ATOM 0 H LEU A 38 -0.366 5.347 -11.745 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.380 2.515 -11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.521 4.627 -11.419 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.851 2.910 -11.295 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.862 4.414 -9.570 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.537 4.154 -7.781 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.157 5.138 -9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.672 3.444 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.887 2.368 -8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.958 1.588 -9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.302 2.048 -9.846 1.00 0.00 H new ATOM 570 N ARG A 39 -2.101 1.852 -13.658 1.00 0.00 N ATOM 571 CA ARG A 39 -2.702 1.417 -14.913 1.00 0.00 C ATOM 572 C ARG A 39 -4.159 1.014 -14.707 1.00 0.00 C ATOM 573 O ARG A 39 -4.516 0.443 -13.676 1.00 0.00 O ATOM 574 CB ARG A 39 -1.915 0.245 -15.501 1.00 0.00 C ATOM 575 CG ARG A 39 -2.564 -0.369 -16.730 1.00 0.00 C ATOM 576 CD ARG A 39 -1.552 -1.127 -17.575 1.00 0.00 C ATOM 577 NE ARG A 39 -2.186 -1.846 -18.676 1.00 0.00 N ATOM 578 CZ ARG A 39 -1.512 -2.532 -19.592 1.00 0.00 C ATOM 579 NH1 ARG A 39 -0.188 -2.592 -19.538 1.00 0.00 N ATOM 580 NH2 ARG A 39 -2.161 -3.161 -20.563 1.00 0.00 N ATOM 0 H ARG A 39 -2.151 1.164 -12.906 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.670 2.253 -15.611 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.913 0.586 -15.762 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.801 -0.525 -14.738 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.362 -1.045 -16.422 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.025 0.416 -17.330 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.817 -0.428 -17.974 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.011 -1.833 -16.945 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.203 -1.820 -18.746 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.314 -2.111 -18.792 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.328 -3.119 -20.242 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.179 -3.118 -20.607 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.642 -3.687 -21.266 1.00 0.00 H new ATOM 594 N ARG A 40 -4.996 1.315 -15.695 1.00 0.00 N ATOM 595 CA ARG A 40 -6.414 0.985 -15.622 1.00 0.00 C ATOM 596 C ARG A 40 -6.619 -0.526 -15.567 1.00 0.00 C ATOM 597 O ARG A 40 -5.981 -1.275 -16.305 1.00 0.00 O ATOM 598 CB ARG A 40 -7.158 1.569 -16.824 1.00 0.00 C ATOM 599 CG ARG A 40 -8.646 1.257 -16.830 1.00 0.00 C ATOM 600 CD ARG A 40 -9.362 1.978 -17.962 1.00 0.00 C ATOM 601 NE ARG A 40 -10.547 1.252 -18.410 1.00 0.00 N ATOM 602 CZ ARG A 40 -11.226 1.561 -19.509 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.838 2.575 -20.269 1.00 0.00 N ATOM 604 NH2 ARG A 40 -12.295 0.853 -19.851 1.00 0.00 N ATOM 0 H ARG A 40 -4.716 1.787 -16.555 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.816 1.422 -14.708 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.022 2.650 -16.834 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.711 1.183 -17.740 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.793 0.182 -16.932 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.084 1.550 -15.876 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.652 2.975 -17.631 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.677 2.107 -18.800 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.871 0.465 -17.848 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.016 3.121 -20.011 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.362 2.810 -21.112 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.596 0.071 -19.270 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.816 1.091 -20.695 1.00 0.00 H new ATOM 618 N ASN A 41 -7.514 -0.965 -14.688 1.00 0.00 N ATOM 619 CA ASN A 41 -7.802 -2.387 -14.537 1.00 0.00 C ATOM 620 C ASN A 41 -6.533 -3.168 -14.210 1.00 0.00 C ATOM 621 O ASN A 41 -6.228 -4.172 -14.852 1.00 0.00 O ATOM 622 CB ASN A 41 -8.439 -2.938 -15.814 1.00 0.00 C ATOM 623 CG ASN A 41 -9.513 -2.022 -16.367 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.008 -1.136 -15.670 1.00 0.00 O ATOM 625 ND2 ASN A 41 -9.878 -2.231 -17.626 1.00 0.00 N ATOM 0 H ASN A 41 -8.052 -0.357 -14.070 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.502 -2.504 -13.710 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.666 -3.084 -16.569 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.871 -3.917 -15.608 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.596 -1.645 -18.053 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.441 -2.977 -18.167 1.00 0.00 H new ATOM 632 N GLU A 42 -5.798 -2.698 -13.207 1.00 0.00 N ATOM 633 CA GLU A 42 -4.561 -3.353 -12.796 1.00 0.00 C ATOM 634 C GLU A 42 -4.443 -3.385 -11.274 1.00 0.00 C ATOM 635 O GLU A 42 -4.540 -2.353 -10.612 1.00 0.00 O ATOM 636 CB GLU A 42 -3.352 -2.633 -13.397 1.00 0.00 C ATOM 637 CG GLU A 42 -3.027 -3.070 -14.815 1.00 0.00 C ATOM 638 CD GLU A 42 -2.669 -4.541 -14.904 1.00 0.00 C ATOM 639 OE1 GLU A 42 -1.526 -4.896 -14.547 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.531 -5.337 -15.331 1.00 0.00 O ATOM 0 H GLU A 42 -6.037 -1.868 -12.665 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.583 -4.379 -13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.539 -1.559 -13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.483 -2.809 -12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.883 -2.869 -15.459 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.197 -2.474 -15.194 1.00 0.00 H new ATOM 647 N GLU A 43 -4.233 -4.579 -10.728 1.00 0.00 N ATOM 648 CA GLU A 43 -4.104 -4.747 -9.286 1.00 0.00 C ATOM 649 C GLU A 43 -2.740 -4.261 -8.802 1.00 0.00 C ATOM 650 O GLU A 43 -1.760 -4.287 -9.547 1.00 0.00 O ATOM 651 CB GLU A 43 -4.300 -6.214 -8.900 1.00 0.00 C ATOM 652 CG GLU A 43 -5.759 -6.622 -8.783 1.00 0.00 C ATOM 653 CD GLU A 43 -5.940 -8.126 -8.705 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.613 -8.709 -7.650 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.409 -8.718 -9.699 1.00 0.00 O ATOM 0 H GLU A 43 -4.149 -5.443 -11.263 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.877 -4.147 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.813 -6.845 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.802 -6.401 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.191 -6.161 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.310 -6.238 -9.641 1.00 0.00 H new ATOM 662 N TYR A 44 -2.686 -3.817 -7.551 1.00 0.00 N ATOM 663 CA TYR A 44 -1.445 -3.323 -6.969 1.00 0.00 C ATOM 664 C TYR A 44 -1.392 -3.612 -5.471 1.00 0.00 C ATOM 665 O TYR A 44 -2.387 -3.453 -4.762 1.00 0.00 O ATOM 666 CB TYR A 44 -1.305 -1.820 -7.215 1.00 0.00 C ATOM 667 CG TYR A 44 -1.083 -1.462 -8.667 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.157 -1.288 -9.531 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.199 -1.298 -9.175 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.960 -0.962 -10.859 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.406 -0.970 -10.501 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.677 -0.804 -11.339 1.00 0.00 C ATOM 673 OH TYR A 44 -0.475 -0.479 -12.661 1.00 0.00 O ATOM 0 H TYR A 44 -3.488 -3.789 -6.921 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.616 -3.842 -7.450 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.204 -1.317 -6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.472 -1.440 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.163 -1.410 -9.158 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.049 -1.429 -8.522 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.806 -0.832 -11.517 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.410 -0.844 -10.879 1.00 0.00 H new ATOM 0 HH TYR A 44 0.486 -0.404 -12.836 1.00 0.00 H new ATOM 683 N CYS A 45 -0.226 -4.036 -4.998 1.00 0.00 N ATOM 684 CA CYS A 45 -0.042 -4.347 -3.585 1.00 0.00 C ATOM 685 C CYS A 45 0.280 -3.087 -2.788 1.00 0.00 C ATOM 686 O CYS A 45 1.066 -2.246 -3.226 1.00 0.00 O ATOM 687 CB CYS A 45 1.075 -5.376 -3.409 1.00 0.00 C ATOM 688 SG CYS A 45 0.512 -7.094 -3.461 1.00 0.00 S ATOM 0 H CYS A 45 0.606 -4.172 -5.572 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.974 -4.766 -3.206 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.820 -5.225 -4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.573 -5.197 -2.456 1.00 0.00 H new ATOM 0 HG CYS A 45 1.529 -7.889 -3.305 1.00 0.00 H new ATOM 694 N LEU A 46 -0.333 -2.962 -1.616 1.00 0.00 N ATOM 695 CA LEU A 46 -0.112 -1.804 -0.757 1.00 0.00 C ATOM 696 C LEU A 46 1.082 -2.028 0.165 1.00 0.00 C ATOM 697 O LEU A 46 0.975 -2.719 1.180 1.00 0.00 O ATOM 698 CB LEU A 46 -1.365 -1.513 0.073 1.00 0.00 C ATOM 699 CG LEU A 46 -1.242 -0.389 1.102 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.993 0.942 0.410 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.493 -0.318 1.965 1.00 0.00 C ATOM 0 H LEU A 46 -0.987 -3.648 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 46 0.102 -0.946 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.179 -1.267 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.651 -2.426 0.595 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.391 -0.604 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.908 1.731 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.069 0.886 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.824 1.165 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.388 0.487 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.360 -0.126 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.628 -1.264 2.489 1.00 0.00 H new ATOM 713 N LEU A 47 2.217 -1.440 -0.192 1.00 0.00 N ATOM 714 CA LEU A 47 3.432 -1.574 0.605 1.00 0.00 C ATOM 715 C LEU A 47 3.291 -0.847 1.938 1.00 0.00 C ATOM 716 O LEU A 47 3.260 -1.474 2.998 1.00 0.00 O ATOM 717 CB LEU A 47 4.634 -1.022 -0.165 1.00 0.00 C ATOM 718 CG LEU A 47 5.020 -1.778 -1.437 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.207 -1.111 -2.115 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.335 -3.233 -1.118 1.00 0.00 C ATOM 0 H LEU A 47 2.322 -0.865 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 47 3.591 -2.634 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.425 0.014 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.495 -1.012 0.503 1.00 0.00 H new ATOM 0 HG LEU A 47 4.173 -1.752 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.467 -1.663 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.947 -0.086 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.059 -1.106 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.608 -3.756 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.165 -3.279 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.458 -3.707 -0.677 1.00 0.00 H new ATOM 732 N ASP A 48 3.204 0.477 1.878 1.00 0.00 N ATOM 733 CA ASP A 48 3.063 1.289 3.081 1.00 0.00 C ATOM 734 C ASP A 48 2.000 2.366 2.888 1.00 0.00 C ATOM 735 O ASP A 48 1.992 3.070 1.878 1.00 0.00 O ATOM 736 CB ASP A 48 4.401 1.935 3.446 1.00 0.00 C ATOM 737 CG ASP A 48 4.256 3.006 4.510 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.842 2.668 5.638 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.555 4.182 4.213 1.00 0.00 O ATOM 0 H ASP A 48 3.229 1.011 1.009 1.00 0.00 H new ATOM 0 HA ASP A 48 2.749 0.636 3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.088 1.166 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.846 2.373 2.552 1.00 0.00 H new ATOM 744 N SER A 49 1.104 2.488 3.863 1.00 0.00 N ATOM 745 CA SER A 49 0.034 3.476 3.798 1.00 0.00 C ATOM 746 C SER A 49 0.297 4.627 4.764 1.00 0.00 C ATOM 747 O SER A 49 -0.635 5.249 5.274 1.00 0.00 O ATOM 748 CB SER A 49 -1.312 2.822 4.120 1.00 0.00 C ATOM 749 OG SER A 49 -1.411 2.512 5.499 1.00 0.00 O ATOM 0 H SER A 49 1.098 1.915 4.707 1.00 0.00 H new ATOM 0 HA SER A 49 0.003 3.876 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.123 3.492 3.836 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.428 1.913 3.530 1.00 0.00 H new ATOM 0 HG SER A 49 -2.280 2.097 5.679 1.00 0.00 H new ATOM 755 N SER A 50 1.573 4.904 5.010 1.00 0.00 N ATOM 756 CA SER A 50 1.961 5.978 5.918 1.00 0.00 C ATOM 757 C SER A 50 1.086 7.209 5.707 1.00 0.00 C ATOM 758 O SER A 50 0.412 7.669 6.629 1.00 0.00 O ATOM 759 CB SER A 50 3.432 6.342 5.711 1.00 0.00 C ATOM 760 OG SER A 50 3.772 7.518 6.426 1.00 0.00 O ATOM 0 H SER A 50 2.356 4.400 4.594 1.00 0.00 H new ATOM 0 HA SER A 50 1.822 5.625 6.940 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.064 5.517 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.628 6.489 4.649 1.00 0.00 H new ATOM 0 HG SER A 50 3.501 8.305 5.909 1.00 0.00 H new ATOM 766 N GLU A 51 1.103 7.738 4.488 1.00 0.00 N ATOM 767 CA GLU A 51 0.311 8.918 4.157 1.00 0.00 C ATOM 768 C GLU A 51 -1.143 8.539 3.889 1.00 0.00 C ATOM 769 O GLU A 51 -1.518 7.370 3.982 1.00 0.00 O ATOM 770 CB GLU A 51 0.899 9.626 2.934 1.00 0.00 C ATOM 771 CG GLU A 51 1.944 10.673 3.282 1.00 0.00 C ATOM 772 CD GLU A 51 3.261 10.060 3.716 1.00 0.00 C ATOM 773 OE1 GLU A 51 3.259 9.275 4.687 1.00 0.00 O ATOM 774 OE2 GLU A 51 4.294 10.366 3.084 1.00 0.00 O ATOM 0 H GLU A 51 1.655 7.369 3.714 1.00 0.00 H new ATOM 0 HA GLU A 51 0.340 9.596 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.347 8.883 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.092 10.101 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.113 11.314 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.563 11.310 4.080 1.00 0.00 H new ATOM 781 N ILE A 52 -1.956 9.537 3.557 1.00 0.00 N ATOM 782 CA ILE A 52 -3.368 9.309 3.276 1.00 0.00 C ATOM 783 C ILE A 52 -3.671 9.500 1.794 1.00 0.00 C ATOM 784 O ILE A 52 -4.233 8.617 1.145 1.00 0.00 O ATOM 785 CB ILE A 52 -4.265 10.253 4.097 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.964 10.107 5.591 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.732 9.967 3.817 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.641 11.154 6.448 1.00 0.00 C ATOM 0 H ILE A 52 -1.661 10.510 3.476 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.584 8.279 3.559 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.053 11.280 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.280 9.118 5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.886 10.165 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.353 10.643 4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.936 10.117 2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.960 8.936 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.384 10.990 7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.306 12.146 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.722 11.082 6.325 1.00 0.00 H new ATOM 800 N HIS A 53 -3.293 10.659 1.262 1.00 0.00 N ATOM 801 CA HIS A 53 -3.521 10.965 -0.145 1.00 0.00 C ATOM 802 C HIS A 53 -2.555 10.189 -1.034 1.00 0.00 C ATOM 803 O HIS A 53 -2.899 9.799 -2.150 1.00 0.00 O ATOM 804 CB HIS A 53 -3.368 12.466 -0.393 1.00 0.00 C ATOM 805 CG HIS A 53 -3.873 13.314 0.733 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.175 13.763 0.812 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.244 13.794 1.831 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.323 14.484 1.910 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.167 14.517 2.546 1.00 0.00 N ATOM 0 H HIS A 53 -2.828 11.401 1.785 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.538 10.664 -0.396 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.315 12.692 -0.563 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.903 12.732 -1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.209 13.638 2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.235 14.965 2.232 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.988 15.001 3.426 1.00 0.00 H new ATOM 818 N TRP A 54 -1.344 9.970 -0.534 1.00 0.00 N ATOM 819 CA TRP A 54 -0.327 9.242 -1.283 1.00 0.00 C ATOM 820 C TRP A 54 -0.005 7.911 -0.612 1.00 0.00 C ATOM 821 O TRP A 54 0.386 7.873 0.554 1.00 0.00 O ATOM 822 CB TRP A 54 0.943 10.083 -1.410 1.00 0.00 C ATOM 823 CG TRP A 54 0.698 11.446 -1.985 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.802 12.641 -1.333 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.306 11.752 -3.328 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.498 13.672 -2.189 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.192 13.153 -3.419 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.043 10.979 -4.462 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.176 13.794 -4.599 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.321 11.617 -5.632 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.427 13.013 -5.694 1.00 0.00 C ATOM 0 H TRP A 54 -1.043 10.287 0.388 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.721 9.040 -2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.400 10.188 -0.426 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.659 9.554 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.082 12.759 -0.297 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.500 14.663 -1.948 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.123 9.903 -4.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.260 14.870 -4.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.528 11.030 -6.514 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.712 13.482 -6.624 1.00 0.00 H new ATOM 842 N TRP A 55 -0.172 6.823 -1.356 1.00 0.00 N ATOM 843 CA TRP A 55 0.102 5.490 -0.831 1.00 0.00 C ATOM 844 C TRP A 55 1.217 4.813 -1.620 1.00 0.00 C ATOM 845 O TRP A 55 1.316 4.975 -2.836 1.00 0.00 O ATOM 846 CB TRP A 55 -1.164 4.632 -0.875 1.00 0.00 C ATOM 847 CG TRP A 55 -2.035 4.796 0.333 1.00 0.00 C ATOM 848 CD1 TRP A 55 -1.869 5.696 1.347 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.206 4.038 0.655 1.00 0.00 C ATOM 850 NE1 TRP A 55 -2.866 5.542 2.280 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.700 4.532 1.878 1.00 0.00 C ATOM 852 CE3 TRP A 55 -3.887 2.991 0.028 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -4.841 4.014 2.484 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.019 2.477 0.631 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.488 2.989 1.848 1.00 0.00 C ATOM 0 H TRP A 55 -0.495 6.838 -2.323 1.00 0.00 H new ATOM 0 HA TRP A 55 0.426 5.594 0.204 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.738 4.889 -1.765 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -0.881 3.584 -0.970 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.072 6.422 1.407 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.969 6.091 3.134 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.535 2.591 -0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.203 4.407 3.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.552 1.666 0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.377 2.567 2.293 1.00 0.00 H new ATOM 866 N ARG A 56 2.054 4.054 -0.921 1.00 0.00 N ATOM 867 CA ARG A 56 3.163 3.353 -1.557 1.00 0.00 C ATOM 868 C ARG A 56 2.748 1.946 -1.976 1.00 0.00 C ATOM 869 O ARG A 56 2.463 1.095 -1.133 1.00 0.00 O ATOM 870 CB ARG A 56 4.361 3.282 -0.608 1.00 0.00 C ATOM 871 CG ARG A 56 5.696 3.151 -1.322 1.00 0.00 C ATOM 872 CD ARG A 56 6.842 2.990 -0.335 1.00 0.00 C ATOM 873 NE ARG A 56 8.117 2.760 -1.009 1.00 0.00 N ATOM 874 CZ ARG A 56 9.215 2.350 -0.384 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.194 2.127 0.923 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.338 2.163 -1.066 1.00 0.00 N ATOM 0 H ARG A 56 1.985 3.909 0.086 1.00 0.00 H new ATOM 0 HA ARG A 56 3.448 3.910 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.376 4.178 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.232 2.433 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.669 2.292 -1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.868 4.032 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.915 3.884 0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.630 2.156 0.334 1.00 0.00 H new ATOM 0 HE ARG A 56 8.167 2.923 -2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.333 2.270 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.039 1.812 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.359 2.334 -2.071 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.180 1.848 -0.585 1.00 0.00 H new ATOM 890 N VAL A 57 2.717 1.708 -3.283 1.00 0.00 N ATOM 891 CA VAL A 57 2.338 0.404 -3.814 1.00 0.00 C ATOM 892 C VAL A 57 3.458 -0.192 -4.658 1.00 0.00 C ATOM 893 O VAL A 57 4.461 0.467 -4.931 1.00 0.00 O ATOM 894 CB VAL A 57 1.060 0.496 -4.668 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.102 1.020 -3.837 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.295 1.378 -5.886 1.00 0.00 C ATOM 0 H VAL A 57 2.950 2.401 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 57 2.148 -0.243 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 57 0.804 -0.505 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.996 1.078 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.284 0.346 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.141 2.012 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.381 1.432 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.576 2.380 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.096 0.955 -6.492 1.00 0.00 H new ATOM 906 N GLN A 58 3.280 -1.444 -5.069 1.00 0.00 N ATOM 907 CA GLN A 58 4.277 -2.129 -5.883 1.00 0.00 C ATOM 908 C GLN A 58 3.619 -2.865 -7.045 1.00 0.00 C ATOM 909 O GLN A 58 2.779 -3.742 -6.841 1.00 0.00 O ATOM 910 CB GLN A 58 5.076 -3.114 -5.027 1.00 0.00 C ATOM 911 CG GLN A 58 5.972 -4.037 -5.837 1.00 0.00 C ATOM 912 CD GLN A 58 6.302 -5.322 -5.103 1.00 0.00 C ATOM 913 OE1 GLN A 58 5.923 -6.411 -5.533 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.013 -5.201 -3.988 1.00 0.00 N ATOM 0 H GLN A 58 2.455 -2.004 -4.852 1.00 0.00 H new ATOM 0 HA GLN A 58 4.955 -1.379 -6.289 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.689 -2.554 -4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.383 -3.717 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.482 -4.278 -6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.897 -3.516 -6.083 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.306 -4.278 -3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.266 -6.031 -3.452 1.00 0.00 H new ATOM 923 N ASP A 59 4.006 -2.503 -8.263 1.00 0.00 N ATOM 924 CA ASP A 59 3.454 -3.129 -9.459 1.00 0.00 C ATOM 925 C ASP A 59 3.805 -4.613 -9.507 1.00 0.00 C ATOM 926 O ASP A 59 4.616 -5.095 -8.715 1.00 0.00 O ATOM 927 CB ASP A 59 3.974 -2.428 -10.714 1.00 0.00 C ATOM 928 CG ASP A 59 3.983 -3.341 -11.925 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.888 -3.731 -12.381 1.00 0.00 O ATOM 930 OD2 ASP A 59 5.085 -3.665 -12.416 1.00 0.00 O ATOM 0 H ASP A 59 4.700 -1.779 -8.448 1.00 0.00 H new ATOM 0 HA ASP A 59 2.369 -3.032 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.353 -1.557 -10.924 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.984 -2.063 -10.530 1.00 0.00 H new ATOM 935 N ARG A 60 3.190 -5.332 -10.440 1.00 0.00 N ATOM 936 CA ARG A 60 3.436 -6.761 -10.589 1.00 0.00 C ATOM 937 C ARG A 60 4.887 -7.024 -10.984 1.00 0.00 C ATOM 938 O ARG A 60 5.518 -7.952 -10.480 1.00 0.00 O ATOM 939 CB ARG A 60 2.495 -7.355 -11.639 1.00 0.00 C ATOM 940 CG ARG A 60 2.752 -8.826 -11.924 1.00 0.00 C ATOM 941 CD ARG A 60 1.948 -9.723 -10.996 1.00 0.00 C ATOM 942 NE ARG A 60 2.373 -11.117 -11.078 1.00 0.00 N ATOM 943 CZ ARG A 60 3.398 -11.615 -10.395 1.00 0.00 C ATOM 944 NH1 ARG A 60 4.099 -10.835 -9.583 1.00 0.00 N ATOM 945 NH2 ARG A 60 3.723 -12.895 -10.522 1.00 0.00 N ATOM 0 H ARG A 60 2.518 -4.948 -11.104 1.00 0.00 H new ATOM 0 HA ARG A 60 3.246 -7.240 -9.628 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.465 -7.233 -11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.596 -6.791 -12.566 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.494 -9.047 -12.960 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.814 -9.040 -11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.055 -9.371 -9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.890 -9.651 -11.249 1.00 0.00 H new ATOM 0 HE ARG A 60 1.854 -11.743 -11.694 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.852 -9.851 -9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.886 -11.220 -9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.186 -13.498 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.510 -13.276 -9.997 1.00 0.00 H new ATOM 959 N ASN A 61 5.407 -6.202 -11.889 1.00 0.00 N ATOM 960 CA ASN A 61 6.782 -6.346 -12.352 1.00 0.00 C ATOM 961 C ASN A 61 7.769 -6.008 -11.239 1.00 0.00 C ATOM 962 O ASN A 61 8.699 -6.766 -10.967 1.00 0.00 O ATOM 963 CB ASN A 61 7.032 -5.444 -13.562 1.00 0.00 C ATOM 964 CG ASN A 61 5.994 -5.637 -14.651 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.829 -5.278 -14.483 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.414 -6.207 -15.774 1.00 0.00 N ATOM 0 H ASN A 61 4.897 -5.429 -12.316 1.00 0.00 H new ATOM 0 HA ASN A 61 6.933 -7.385 -12.645 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.029 -4.402 -13.242 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.023 -5.650 -13.967 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.761 -6.363 -16.542 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.390 -6.489 -15.869 1.00 0.00 H new ATOM 973 N GLY A 62 7.560 -4.861 -10.598 1.00 0.00 N ATOM 974 CA GLY A 62 8.439 -4.442 -9.522 1.00 0.00 C ATOM 975 C GLY A 62 8.648 -2.941 -9.495 1.00 0.00 C ATOM 976 O GLY A 62 9.724 -2.464 -9.135 1.00 0.00 O ATOM 0 H GLY A 62 6.798 -4.215 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.020 -4.765 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.403 -4.938 -9.631 1.00 0.00 H new ATOM 980 N HIS A 63 7.618 -2.195 -9.880 1.00 0.00 N ATOM 981 CA HIS A 63 7.695 -0.738 -9.901 1.00 0.00 C ATOM 982 C HIS A 63 6.876 -0.135 -8.763 1.00 0.00 C ATOM 983 O HIS A 63 5.657 -0.294 -8.713 1.00 0.00 O ATOM 984 CB HIS A 63 7.200 -0.199 -11.243 1.00 0.00 C ATOM 985 CG HIS A 63 7.607 -1.040 -12.413 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.906 -1.068 -13.601 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.651 -1.886 -12.575 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.500 -1.896 -14.441 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.562 -2.405 -13.843 1.00 0.00 N ATOM 0 H HIS A 63 6.721 -2.574 -10.182 1.00 0.00 H new ATOM 0 HA HIS A 63 8.738 -0.452 -9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.113 -0.128 -11.218 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.582 0.812 -11.382 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.412 -2.111 -11.843 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.173 -2.119 -15.446 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.211 -3.075 -14.256 1.00 0.00 H new ATOM 998 N GLU A 64 7.555 0.556 -7.853 1.00 0.00 N ATOM 999 CA GLU A 64 6.889 1.181 -6.716 1.00 0.00 C ATOM 1000 C GLU A 64 6.881 2.700 -6.858 1.00 0.00 C ATOM 1001 O GLU A 64 7.460 3.250 -7.793 1.00 0.00 O ATOM 1002 CB GLU A 64 7.580 0.783 -5.410 1.00 0.00 C ATOM 1003 CG GLU A 64 7.741 -0.718 -5.240 1.00 0.00 C ATOM 1004 CD GLU A 64 9.028 -1.240 -5.850 1.00 0.00 C ATOM 1005 OE1 GLU A 64 10.112 -0.812 -5.404 1.00 0.00 O ATOM 1006 OE2 GLU A 64 8.949 -2.077 -6.773 1.00 0.00 O ATOM 0 H GLU A 64 8.565 0.697 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 64 5.857 0.830 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.563 1.252 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.006 1.176 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.721 -0.964 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.893 -1.225 -5.701 1.00 0.00 H new ATOM 1013 N GLY A 65 6.218 3.373 -5.922 1.00 0.00 N ATOM 1014 CA GLY A 65 6.145 4.821 -5.960 1.00 0.00 C ATOM 1015 C GLY A 65 4.905 5.358 -5.274 1.00 0.00 C ATOM 1016 O GLY A 65 4.136 4.600 -4.684 1.00 0.00 O ATOM 0 H GLY A 65 5.730 2.940 -5.138 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.031 5.239 -5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.156 5.155 -6.998 1.00 0.00 H new ATOM 1020 N TYR A 66 4.710 6.670 -5.350 1.00 0.00 N ATOM 1021 CA TYR A 66 3.557 7.309 -4.727 1.00 0.00 C ATOM 1022 C TYR A 66 2.415 7.464 -5.727 1.00 0.00 C ATOM 1023 O TYR A 66 2.613 7.938 -6.845 1.00 0.00 O ATOM 1024 CB TYR A 66 3.946 8.677 -4.165 1.00 0.00 C ATOM 1025 CG TYR A 66 4.980 8.607 -3.064 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.758 7.845 -1.923 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.179 9.302 -3.164 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.699 7.779 -0.914 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.126 9.240 -2.161 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.882 8.478 -1.038 1.00 0.00 C ATOM 1031 OH TYR A 66 7.823 8.415 -0.035 1.00 0.00 O ATOM 0 H TYR A 66 5.336 7.312 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 66 3.218 6.672 -3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.331 9.297 -4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.053 9.171 -3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.834 7.295 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.374 9.901 -4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.510 7.184 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.053 9.786 -2.256 1.00 0.00 H new ATOM 0 HH TYR A 66 8.598 8.963 -0.279 1.00 0.00 H new ATOM 1041 N VAL A 67 1.217 7.060 -5.314 1.00 0.00 N ATOM 1042 CA VAL A 67 0.041 7.155 -6.171 1.00 0.00 C ATOM 1043 C VAL A 67 -1.164 7.673 -5.395 1.00 0.00 C ATOM 1044 O VAL A 67 -1.285 7.478 -4.185 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.310 5.791 -6.795 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.636 5.467 -7.940 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.275 4.698 -5.737 1.00 0.00 C ATOM 0 H VAL A 67 1.036 6.664 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 67 0.285 7.858 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.322 5.844 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.372 4.500 -8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.556 6.237 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.660 5.431 -7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.525 3.741 -6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.724 4.643 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.998 4.926 -4.954 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.079 8.349 -6.105 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.293 8.908 -5.503 1.00 0.00 C ATOM 1059 C PRO A 68 -4.280 7.827 -5.077 1.00 0.00 C ATOM 1060 O PRO A 68 -4.955 7.224 -5.912 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.887 9.760 -6.628 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.369 9.145 -7.883 1.00 0.00 C ATOM 1063 CD PRO A 68 -2.000 8.618 -7.551 1.00 0.00 C ATOM 0 HA PRO A 68 -3.076 9.469 -4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.977 9.747 -6.601 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.578 10.802 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.024 8.343 -8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.320 9.880 -8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.769 7.715 -8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.222 9.346 -7.782 1.00 0.00 H new ATOM 1071 N SER A 69 -4.359 7.586 -3.772 1.00 0.00 N ATOM 1072 CA SER A 69 -5.262 6.574 -3.235 1.00 0.00 C ATOM 1073 C SER A 69 -6.606 6.606 -3.957 1.00 0.00 C ATOM 1074 O SER A 69 -7.278 5.583 -4.086 1.00 0.00 O ATOM 1075 CB SER A 69 -5.471 6.791 -1.735 1.00 0.00 C ATOM 1076 OG SER A 69 -6.204 7.979 -1.489 1.00 0.00 O ATOM 0 H SER A 69 -3.809 8.077 -3.067 1.00 0.00 H new ATOM 0 HA SER A 69 -4.807 5.596 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.002 5.938 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.504 6.846 -1.234 1.00 0.00 H new ATOM 0 HG SER A 69 -6.326 8.094 -0.523 1.00 0.00 H new ATOM 1082 N SER A 70 -6.990 7.789 -4.426 1.00 0.00 N ATOM 1083 CA SER A 70 -8.255 7.957 -5.131 1.00 0.00 C ATOM 1084 C SER A 70 -8.415 6.899 -6.219 1.00 0.00 C ATOM 1085 O SER A 70 -9.467 6.272 -6.341 1.00 0.00 O ATOM 1086 CB SER A 70 -8.338 9.355 -5.748 1.00 0.00 C ATOM 1087 OG SER A 70 -9.683 9.787 -5.852 1.00 0.00 O ATOM 0 H SER A 70 -6.443 8.645 -4.330 1.00 0.00 H new ATOM 0 HA SER A 70 -9.063 7.837 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.773 10.059 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.878 9.348 -6.736 1.00 0.00 H new ATOM 0 HG SER A 70 -9.709 10.683 -6.247 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.363 6.706 -7.007 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.385 5.726 -8.086 1.00 0.00 C ATOM 1095 C TYR A 71 -7.434 4.306 -7.532 1.00 0.00 C ATOM 1096 O TYR A 71 -8.156 3.450 -8.046 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.157 5.894 -8.982 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.246 7.080 -9.916 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.609 8.335 -9.444 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.970 6.944 -11.271 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.692 9.421 -10.294 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -6.049 8.024 -12.128 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.411 9.261 -11.635 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.493 10.339 -12.486 1.00 0.00 O ATOM 0 H TYR A 71 -6.484 7.216 -6.918 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.284 5.896 -8.678 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.272 6.002 -8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.021 4.987 -9.572 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.830 8.464 -8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.689 5.977 -11.661 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.975 10.390 -9.911 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.829 7.901 -13.178 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.263 10.056 -13.396 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.661 4.062 -6.479 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.615 2.746 -5.852 1.00 0.00 C ATOM 1116 C LEU A 72 -7.935 2.427 -5.156 1.00 0.00 C ATOM 1117 O LEU A 72 -8.571 3.307 -4.576 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.466 2.679 -4.845 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.070 2.969 -5.399 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -3.073 3.149 -4.266 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.624 1.853 -6.332 1.00 0.00 C ATOM 0 H LEU A 72 -6.058 4.759 -6.042 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.449 2.005 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.671 3.388 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.458 1.685 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.112 3.897 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.086 3.354 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.384 3.983 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.034 2.239 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.629 2.076 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.599 0.910 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.324 1.772 -7.163 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.340 1.163 -5.218 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.582 0.727 -4.591 1.00 0.00 C ATOM 1135 C VAL A 73 -9.436 -0.668 -3.993 1.00 0.00 C ATOM 1136 O VAL A 73 -8.902 -1.574 -4.631 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.748 0.723 -5.598 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.671 1.938 -6.509 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.745 -0.563 -6.410 1.00 0.00 C ATOM 0 H VAL A 73 -7.826 0.423 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.802 1.439 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.685 0.774 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.503 1.918 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.725 2.847 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.730 1.922 -7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.575 -0.549 -7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.805 -0.646 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.853 -1.416 -5.740 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.916 -0.832 -2.764 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.838 -2.118 -2.080 1.00 0.00 C ATOM 1151 C GLU A 74 -10.674 -3.170 -2.803 1.00 0.00 C ATOM 1152 O GLU A 74 -11.889 -3.026 -2.943 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.312 -1.980 -0.632 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.678 -2.985 0.315 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.568 -3.315 1.497 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.465 -2.619 2.529 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -11.368 -4.268 1.391 1.00 0.00 O ATOM 0 H GLU A 74 -10.362 -0.092 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.797 -2.441 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.090 -0.972 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.395 -2.097 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.452 -3.901 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.730 -2.588 0.678 1.00 0.00 H new ATOM 1164 N LYS A 75 -10.015 -4.229 -3.260 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.695 -5.307 -3.968 1.00 0.00 C ATOM 1166 C LYS A 75 -11.716 -5.992 -3.065 1.00 0.00 C ATOM 1167 O LYS A 75 -11.360 -6.578 -2.043 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.679 -6.332 -4.476 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.239 -7.274 -5.528 1.00 0.00 C ATOM 1170 CD LYS A 75 -9.171 -8.216 -6.059 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.760 -9.248 -7.008 1.00 0.00 C ATOM 1172 NZ LYS A 75 -8.721 -10.178 -7.530 1.00 0.00 N ATOM 0 H LYS A 75 -9.010 -4.364 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.221 -4.874 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.821 -5.805 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.314 -6.918 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.057 -7.854 -5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.656 -6.694 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.402 -7.642 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.684 -8.723 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.531 -9.819 -6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.245 -8.740 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.180 -10.964 -8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.094 -9.667 -8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.162 -10.554 -6.738 1.00 0.00 H new