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 26:sc= 0.0511 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= -1.57! K(o=-1.6!,f=-0.66) 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 57:sc= 0.551 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00464 USER MOD Single : A 53 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.11) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0595 X(o=-0.06,f=-0.44) USER MOD Single : A 63 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-2.3!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 100:sc= 0.123 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+ 156:sc= -0.085 (180deg=-0.53) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -2.941 -6.787 1.269 1.00 0.00 N ATOM 272 CA THR A 20 -3.943 -5.837 0.803 1.00 0.00 C ATOM 273 C THR A 20 -3.737 -5.498 -0.669 1.00 0.00 C ATOM 274 O THR A 20 -2.835 -4.738 -1.021 1.00 0.00 O ATOM 275 CB THR A 20 -3.910 -4.535 1.627 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.148 -4.824 3.009 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.952 -3.549 1.123 1.00 0.00 C ATOM 0 HA THR A 20 -4.914 -6.315 0.931 1.00 0.00 H new ATOM 0 HB THR A 20 -2.924 -4.085 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.875 -5.745 3.202 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.910 -2.638 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.750 -3.309 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.944 -3.993 1.208 1.00 0.00 H new ATOM 285 N VAL A 21 -4.580 -6.066 -1.525 1.00 0.00 N ATOM 286 CA VAL A 21 -4.492 -5.823 -2.960 1.00 0.00 C ATOM 287 C VAL A 21 -5.508 -4.777 -3.404 1.00 0.00 C ATOM 288 O VAL A 21 -6.709 -4.928 -3.179 1.00 0.00 O ATOM 289 CB VAL A 21 -4.719 -7.117 -3.764 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.695 -6.830 -5.257 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.676 -8.162 -3.397 1.00 0.00 C ATOM 0 H VAL A 21 -5.332 -6.698 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.485 -5.454 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.702 -7.513 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.857 -7.756 -5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.483 -6.118 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.728 -6.409 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.852 -9.070 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.681 -7.777 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.747 -8.389 -2.333 1.00 0.00 H new ATOM 301 N VAL A 22 -5.019 -3.716 -4.037 1.00 0.00 N ATOM 302 CA VAL A 22 -5.885 -2.644 -4.515 1.00 0.00 C ATOM 303 C VAL A 22 -5.944 -2.624 -6.038 1.00 0.00 C ATOM 304 O VAL A 22 -5.251 -3.390 -6.707 1.00 0.00 O ATOM 305 CB VAL A 22 -5.405 -1.269 -4.012 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.998 -0.964 -2.645 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.886 -1.219 -3.967 1.00 0.00 C ATOM 0 H VAL A 22 -4.028 -3.575 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.881 -2.840 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.750 -0.506 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.648 0.011 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.086 -0.955 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.686 -1.729 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.565 -0.241 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.516 -1.991 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.487 -1.389 -4.967 1.00 0.00 H new ATOM 317 N ILE A 23 -6.777 -1.742 -6.580 1.00 0.00 N ATOM 318 CA ILE A 23 -6.926 -1.620 -8.025 1.00 0.00 C ATOM 319 C ILE A 23 -7.139 -0.167 -8.436 1.00 0.00 C ATOM 320 O ILE A 23 -7.818 0.591 -7.744 1.00 0.00 O ATOM 321 CB ILE A 23 -8.105 -2.466 -8.542 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.004 -3.898 -8.015 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.136 -2.457 -10.064 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.278 -4.695 -8.181 1.00 0.00 C ATOM 0 H ILE A 23 -7.359 -1.101 -6.040 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.002 -1.988 -8.470 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.034 -2.029 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.194 -4.411 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.738 -3.870 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.974 -3.059 -10.414 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.251 -1.433 -10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.205 -2.873 -10.449 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.133 -5.700 -7.785 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.087 -4.205 -7.639 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.534 -4.755 -9.239 1.00 0.00 H new ATOM 336 N ALA A 24 -6.555 0.214 -9.567 1.00 0.00 N ATOM 337 CA ALA A 24 -6.683 1.575 -10.073 1.00 0.00 C ATOM 338 C ALA A 24 -7.929 1.723 -10.939 1.00 0.00 C ATOM 339 O ALA A 24 -8.179 0.911 -11.830 1.00 0.00 O ATOM 340 CB ALA A 24 -5.441 1.965 -10.860 1.00 0.00 C ATOM 0 H ALA A 24 -5.988 -0.401 -10.151 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.784 2.246 -9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.551 2.984 -11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.567 1.908 -10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.314 1.284 -11.701 1.00 0.00 H new ATOM 346 N LEU A 25 -8.709 2.765 -10.671 1.00 0.00 N ATOM 347 CA LEU A 25 -9.931 3.020 -11.426 1.00 0.00 C ATOM 348 C LEU A 25 -9.613 3.625 -12.789 1.00 0.00 C ATOM 349 O LEU A 25 -10.296 3.351 -13.776 1.00 0.00 O ATOM 350 CB LEU A 25 -10.852 3.957 -10.642 1.00 0.00 C ATOM 351 CG LEU A 25 -11.168 3.540 -9.205 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.538 4.754 -8.367 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.290 2.512 -9.183 1.00 0.00 C ATOM 0 H LEU A 25 -8.517 3.447 -9.937 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.438 2.068 -11.581 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.396 4.947 -10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.791 4.050 -11.187 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.276 3.084 -8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.760 4.438 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.705 5.456 -8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.415 5.238 -8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.502 2.227 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.186 2.941 -9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.987 1.631 -9.749 1.00 0.00 H new ATOM 365 N TYR A 26 -8.569 4.445 -12.837 1.00 0.00 N ATOM 366 CA TYR A 26 -8.160 5.089 -14.080 1.00 0.00 C ATOM 367 C TYR A 26 -6.656 4.949 -14.296 1.00 0.00 C ATOM 368 O TYR A 26 -5.910 4.637 -13.368 1.00 0.00 O ATOM 369 CB TYR A 26 -8.549 6.568 -14.065 1.00 0.00 C ATOM 370 CG TYR A 26 -9.847 6.846 -13.341 1.00 0.00 C ATOM 371 CD1 TYR A 26 -11.065 6.774 -14.007 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.856 7.181 -11.993 1.00 0.00 C ATOM 373 CE1 TYR A 26 -12.254 7.027 -13.351 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.041 7.434 -11.328 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.236 7.357 -12.011 1.00 0.00 C ATOM 376 OH TYR A 26 -13.418 7.610 -11.353 1.00 0.00 O ATOM 0 H TYR A 26 -7.991 4.679 -12.030 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.675 4.594 -14.903 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.750 7.140 -13.593 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.632 6.923 -15.092 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.082 6.516 -15.056 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.921 7.245 -11.456 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.192 6.967 -13.883 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.031 7.691 -10.279 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.231 7.826 -10.416 1.00 0.00 H new ATOM 386 N ASP A 27 -6.218 5.182 -15.529 1.00 0.00 N ATOM 387 CA ASP A 27 -4.804 5.084 -15.869 1.00 0.00 C ATOM 388 C ASP A 27 -4.067 6.368 -15.502 1.00 0.00 C ATOM 389 O ASP A 27 -4.172 7.377 -16.200 1.00 0.00 O ATOM 390 CB ASP A 27 -4.635 4.792 -17.361 1.00 0.00 C ATOM 391 CG ASP A 27 -3.223 5.057 -17.846 1.00 0.00 C ATOM 392 OD1 ASP A 27 -2.346 4.197 -17.618 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.996 6.123 -18.455 1.00 0.00 O ATOM 0 H ASP A 27 -6.822 5.440 -16.309 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.374 4.263 -15.296 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.894 3.751 -17.556 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.333 5.406 -17.930 1.00 0.00 H new ATOM 398 N TYR A 28 -3.322 6.324 -14.403 1.00 0.00 N ATOM 399 CA TYR A 28 -2.570 7.484 -13.942 1.00 0.00 C ATOM 400 C TYR A 28 -1.238 7.598 -14.677 1.00 0.00 C ATOM 401 O TYR A 28 -0.622 6.592 -15.026 1.00 0.00 O ATOM 402 CB TYR A 28 -2.326 7.394 -12.434 1.00 0.00 C ATOM 403 CG TYR A 28 -1.559 8.571 -11.874 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.866 9.871 -12.255 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.529 8.381 -10.961 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.167 10.948 -11.746 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.174 9.453 -10.445 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.148 10.734 -10.841 1.00 0.00 C ATOM 409 OH TYR A 28 0.549 11.805 -10.330 1.00 0.00 O ATOM 0 H TYR A 28 -3.223 5.497 -13.815 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.160 8.375 -14.156 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.286 7.320 -11.923 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.778 6.477 -12.217 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.665 10.043 -12.961 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.274 7.379 -10.649 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.417 11.952 -12.055 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.971 9.288 -9.735 1.00 0.00 H new ATOM 0 HH TYR A 28 1.232 11.483 -9.706 1.00 0.00 H new ATOM 507 N GLU A 35 7.232 9.315 -8.444 1.00 0.00 N ATOM 508 CA GLU A 35 5.832 8.951 -8.623 1.00 0.00 C ATOM 509 C GLU A 35 5.692 7.795 -9.609 1.00 0.00 C ATOM 510 O GLU A 35 6.481 7.665 -10.547 1.00 0.00 O ATOM 511 CB GLU A 35 5.027 10.156 -9.116 1.00 0.00 C ATOM 512 CG GLU A 35 4.908 11.269 -8.089 1.00 0.00 C ATOM 513 CD GLU A 35 4.292 12.530 -8.664 1.00 0.00 C ATOM 514 OE1 GLU A 35 5.011 13.278 -9.358 1.00 0.00 O ATOM 515 OE2 GLU A 35 3.090 12.767 -8.421 1.00 0.00 O ATOM 0 HA GLU A 35 5.440 8.632 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.497 10.552 -10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.028 9.824 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.302 10.922 -7.252 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.897 11.500 -7.693 1.00 0.00 H new ATOM 522 N LEU A 36 4.685 6.957 -9.391 1.00 0.00 N ATOM 523 CA LEU A 36 4.441 5.810 -10.259 1.00 0.00 C ATOM 524 C LEU A 36 3.165 6.004 -11.071 1.00 0.00 C ATOM 525 O LEU A 36 2.175 6.540 -10.573 1.00 0.00 O ATOM 526 CB LEU A 36 4.341 4.529 -9.429 1.00 0.00 C ATOM 527 CG LEU A 36 4.045 3.247 -10.207 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.338 2.586 -10.659 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.221 2.287 -9.360 1.00 0.00 C ATOM 0 H LEU A 36 4.024 7.050 -8.620 1.00 0.00 H new ATOM 0 HA LEU A 36 5.280 5.723 -10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.279 4.395 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.560 4.665 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 36 3.466 3.508 -11.093 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.107 1.675 -11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.891 3.270 -11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.944 2.338 -9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.020 1.380 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.774 2.032 -8.456 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.278 2.760 -9.087 1.00 0.00 H new ATOM 541 N ALA A 37 3.194 5.562 -12.324 1.00 0.00 N ATOM 542 CA ALA A 37 2.038 5.683 -13.204 1.00 0.00 C ATOM 543 C ALA A 37 1.207 4.404 -13.197 1.00 0.00 C ATOM 544 O ALA A 37 1.603 3.390 -13.773 1.00 0.00 O ATOM 545 CB ALA A 37 2.485 6.016 -14.620 1.00 0.00 C ATOM 0 H ALA A 37 4.006 5.117 -12.753 1.00 0.00 H new ATOM 0 HA ALA A 37 1.412 6.494 -12.832 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.612 6.103 -15.266 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.030 6.960 -14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.134 5.224 -14.992 1.00 0.00 H new ATOM 551 N LEU A 38 0.053 4.458 -12.541 1.00 0.00 N ATOM 552 CA LEU A 38 -0.835 3.304 -12.458 1.00 0.00 C ATOM 553 C LEU A 38 -1.427 2.973 -13.825 1.00 0.00 C ATOM 554 O LEU A 38 -1.088 3.602 -14.827 1.00 0.00 O ATOM 555 CB LEU A 38 -1.958 3.570 -11.455 1.00 0.00 C ATOM 556 CG LEU A 38 -1.526 3.772 -10.002 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.578 4.559 -9.236 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.268 2.430 -9.331 1.00 0.00 C ATOM 0 H LEU A 38 -0.290 5.289 -12.059 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.249 2.450 -12.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.504 4.457 -11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.657 2.734 -11.492 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.598 4.344 -9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.253 4.693 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.714 5.535 -9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.522 4.015 -9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.962 2.593 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.180 1.833 -9.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.478 1.902 -9.865 1.00 0.00 H new ATOM 570 N ARG A 39 -2.313 1.983 -13.856 1.00 0.00 N ATOM 571 CA ARG A 39 -2.953 1.569 -15.099 1.00 0.00 C ATOM 572 C ARG A 39 -4.403 1.163 -14.855 1.00 0.00 C ATOM 573 O ARG A 39 -4.731 0.593 -13.814 1.00 0.00 O ATOM 574 CB ARG A 39 -2.185 0.407 -15.730 1.00 0.00 C ATOM 575 CG ARG A 39 -2.858 -0.168 -16.966 1.00 0.00 C ATOM 576 CD ARG A 39 -2.539 0.651 -18.206 1.00 0.00 C ATOM 577 NE ARG A 39 -2.782 -0.099 -19.436 1.00 0.00 N ATOM 578 CZ ARG A 39 -1.943 -1.008 -19.919 1.00 0.00 C ATOM 579 NH1 ARG A 39 -0.813 -1.278 -19.281 1.00 0.00 N ATOM 580 NH2 ARG A 39 -2.234 -1.649 -21.044 1.00 0.00 N ATOM 0 H ARG A 39 -2.604 1.453 -13.035 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.942 2.417 -15.784 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.184 0.746 -15.996 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.067 -0.384 -14.990 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.531 -1.197 -17.114 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.937 -0.195 -16.814 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.146 1.557 -18.208 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.496 0.966 -18.174 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.643 0.086 -19.952 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.586 -0.787 -18.416 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.171 -1.977 -19.655 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.102 -1.444 -21.538 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.589 -2.347 -21.415 1.00 0.00 H new ATOM 594 N ARG A 40 -5.266 1.460 -15.821 1.00 0.00 N ATOM 595 CA ARG A 40 -6.681 1.126 -15.710 1.00 0.00 C ATOM 596 C ARG A 40 -6.879 -0.384 -15.622 1.00 0.00 C ATOM 597 O ARG A 40 -6.356 -1.137 -16.442 1.00 0.00 O ATOM 598 CB ARG A 40 -7.453 1.683 -16.907 1.00 0.00 C ATOM 599 CG ARG A 40 -8.951 1.435 -16.835 1.00 0.00 C ATOM 600 CD ARG A 40 -9.702 2.249 -17.878 1.00 0.00 C ATOM 601 NE ARG A 40 -11.055 1.745 -18.094 1.00 0.00 N ATOM 602 CZ ARG A 40 -12.034 2.472 -18.622 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.810 3.728 -18.985 1.00 0.00 N ATOM 604 NH2 ARG A 40 -13.240 1.944 -18.788 1.00 0.00 N ATOM 0 H ARG A 40 -5.010 1.931 -16.689 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.064 1.579 -14.796 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.274 2.756 -16.977 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.063 1.235 -17.821 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.153 0.374 -16.985 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.316 1.691 -15.840 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.749 3.290 -17.560 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.153 2.228 -18.819 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.260 0.783 -17.825 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.885 4.138 -18.859 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.563 4.284 -19.390 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.417 0.979 -18.510 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.990 2.504 -19.193 1.00 0.00 H new ATOM 618 N ASN A 41 -7.637 -0.819 -14.620 1.00 0.00 N ATOM 619 CA ASN A 41 -7.903 -2.239 -14.424 1.00 0.00 C ATOM 620 C ASN A 41 -6.611 -3.001 -14.142 1.00 0.00 C ATOM 621 O ASN A 41 -6.300 -3.984 -14.813 1.00 0.00 O ATOM 622 CB ASN A 41 -8.595 -2.825 -15.656 1.00 0.00 C ATOM 623 CG ASN A 41 -9.996 -2.278 -15.846 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.853 -2.418 -14.973 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.236 -1.651 -16.992 1.00 0.00 N ATOM 0 H ASN A 41 -8.077 -0.208 -13.932 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.561 -2.344 -13.562 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.999 -2.607 -16.542 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.641 -3.910 -15.562 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.161 -1.262 -17.177 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.496 -1.558 -17.687 1.00 0.00 H new ATOM 632 N GLU A 42 -5.863 -2.538 -13.145 1.00 0.00 N ATOM 633 CA GLU A 42 -4.605 -3.176 -12.776 1.00 0.00 C ATOM 634 C GLU A 42 -4.446 -3.227 -11.259 1.00 0.00 C ATOM 635 O GLU A 42 -4.479 -2.197 -10.586 1.00 0.00 O ATOM 636 CB GLU A 42 -3.425 -2.425 -13.398 1.00 0.00 C ATOM 637 CG GLU A 42 -3.113 -2.855 -14.822 1.00 0.00 C ATOM 638 CD GLU A 42 -3.118 -4.362 -14.991 1.00 0.00 C ATOM 639 OE1 GLU A 42 -2.643 -5.063 -14.073 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.598 -4.840 -16.040 1.00 0.00 O ATOM 0 H GLU A 42 -6.106 -1.725 -12.579 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.619 -4.197 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.640 -1.356 -13.389 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.541 -2.578 -12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.845 -2.415 -15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.137 -2.464 -15.110 1.00 0.00 H new ATOM 647 N GLU A 43 -4.273 -4.434 -10.728 1.00 0.00 N ATOM 648 CA GLU A 43 -4.111 -4.620 -9.291 1.00 0.00 C ATOM 649 C GLU A 43 -2.727 -4.164 -8.837 1.00 0.00 C ATOM 650 O GLU A 43 -1.804 -4.048 -9.643 1.00 0.00 O ATOM 651 CB GLU A 43 -4.325 -6.088 -8.917 1.00 0.00 C ATOM 652 CG GLU A 43 -5.593 -6.686 -9.502 1.00 0.00 C ATOM 653 CD GLU A 43 -5.372 -7.295 -10.873 1.00 0.00 C ATOM 654 OE1 GLU A 43 -4.754 -8.377 -10.949 1.00 0.00 O ATOM 655 OE2 GLU A 43 -5.818 -6.689 -11.870 1.00 0.00 O ATOM 0 H GLU A 43 -4.242 -5.297 -11.271 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.860 -4.011 -8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.468 -6.670 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.359 -6.176 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.975 -7.451 -8.826 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.357 -5.912 -9.571 1.00 0.00 H new ATOM 662 N TYR A 44 -2.592 -3.907 -7.541 1.00 0.00 N ATOM 663 CA TYR A 44 -1.323 -3.461 -6.978 1.00 0.00 C ATOM 664 C TYR A 44 -1.211 -3.851 -5.507 1.00 0.00 C ATOM 665 O TYR A 44 -2.142 -3.644 -4.727 1.00 0.00 O ATOM 666 CB TYR A 44 -1.178 -1.946 -7.128 1.00 0.00 C ATOM 667 CG TYR A 44 -0.922 -1.500 -8.550 1.00 0.00 C ATOM 668 CD1 TYR A 44 -1.972 -1.323 -9.443 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.369 -1.256 -9.001 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.743 -0.916 -10.743 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.607 -0.847 -10.299 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.452 -0.679 -11.166 1.00 0.00 C ATOM 673 OH TYR A 44 -0.218 -0.274 -12.460 1.00 0.00 O ATOM 0 H TYR A 44 -3.346 -4.000 -6.860 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.520 -3.952 -7.527 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.085 -1.465 -6.763 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.359 -1.603 -6.496 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.984 -1.507 -9.115 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.201 -1.388 -8.325 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.570 -0.784 -11.424 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.617 -0.660 -10.633 1.00 0.00 H new ATOM 0 HH TYR A 44 0.745 -0.150 -12.595 1.00 0.00 H new ATOM 683 N CYS A 45 -0.068 -4.415 -5.137 1.00 0.00 N ATOM 684 CA CYS A 45 0.167 -4.835 -3.760 1.00 0.00 C ATOM 685 C CYS A 45 0.541 -3.643 -2.884 1.00 0.00 C ATOM 686 O CYS A 45 1.651 -3.117 -2.975 1.00 0.00 O ATOM 687 CB CYS A 45 1.274 -5.889 -3.707 1.00 0.00 C ATOM 688 SG CYS A 45 1.785 -6.340 -2.032 1.00 0.00 S ATOM 0 H CYS A 45 0.711 -4.592 -5.771 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.756 -5.269 -3.377 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.932 -6.785 -4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.141 -5.517 -4.252 1.00 0.00 H new ATOM 0 HG CYS A 45 2.723 -7.238 -2.091 1.00 0.00 H new ATOM 694 N LEU A 46 -0.392 -3.221 -2.039 1.00 0.00 N ATOM 695 CA LEU A 46 -0.162 -2.089 -1.147 1.00 0.00 C ATOM 696 C LEU A 46 1.004 -2.367 -0.205 1.00 0.00 C ATOM 697 O LEU A 46 1.022 -3.381 0.496 1.00 0.00 O ATOM 698 CB LEU A 46 -1.425 -1.786 -0.339 1.00 0.00 C ATOM 699 CG LEU A 46 -1.397 -0.503 0.492 1.00 0.00 C ATOM 700 CD1 LEU A 46 -1.467 0.720 -0.411 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.542 -0.493 1.495 1.00 0.00 C ATOM 0 H LEU A 46 -1.316 -3.645 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 46 0.087 -1.221 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.268 -1.731 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.614 -2.625 0.331 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.457 -0.470 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.446 1.624 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.614 0.720 -1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.391 0.693 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.507 0.427 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.492 -0.550 0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.448 -1.349 2.163 1.00 0.00 H new ATOM 713 N LEU A 47 1.976 -1.461 -0.190 1.00 0.00 N ATOM 714 CA LEU A 47 3.146 -1.607 0.669 1.00 0.00 C ATOM 715 C LEU A 47 2.945 -0.875 1.992 1.00 0.00 C ATOM 716 O LEU A 47 2.894 -1.495 3.055 1.00 0.00 O ATOM 717 CB LEU A 47 4.392 -1.073 -0.038 1.00 0.00 C ATOM 718 CG LEU A 47 4.871 -1.874 -1.250 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.139 -1.263 -1.826 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.103 -3.329 -0.869 1.00 0.00 C ATOM 0 H LEU A 47 1.977 -0.617 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 47 3.282 -2.668 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.193 -0.050 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.205 -1.027 0.687 1.00 0.00 H new ATOM 0 HG LEU A 47 4.095 -1.839 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.465 -1.846 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.940 -0.237 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.922 -1.267 -1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.443 -3.884 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.860 -3.384 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.172 -3.762 -0.504 1.00 0.00 H new ATOM 732 N ASP A 48 2.829 0.446 1.919 1.00 0.00 N ATOM 733 CA ASP A 48 2.630 1.263 3.110 1.00 0.00 C ATOM 734 C ASP A 48 1.702 2.437 2.815 1.00 0.00 C ATOM 735 O ASP A 48 1.706 2.983 1.712 1.00 0.00 O ATOM 736 CB ASP A 48 3.972 1.777 3.633 1.00 0.00 C ATOM 737 CG ASP A 48 3.838 2.506 4.955 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.420 1.868 5.944 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.151 3.715 5.001 1.00 0.00 O ATOM 0 H ASP A 48 2.869 0.974 1.047 1.00 0.00 H new ATOM 0 HA ASP A 48 2.166 0.639 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.657 0.938 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.413 2.447 2.895 1.00 0.00 H new ATOM 744 N SER A 49 0.906 2.821 3.809 1.00 0.00 N ATOM 745 CA SER A 49 -0.031 3.927 3.654 1.00 0.00 C ATOM 746 C SER A 49 0.319 5.072 4.600 1.00 0.00 C ATOM 747 O SER A 49 -0.553 5.630 5.266 1.00 0.00 O ATOM 748 CB SER A 49 -1.461 3.452 3.917 1.00 0.00 C ATOM 749 OG SER A 49 -1.676 3.222 5.299 1.00 0.00 O ATOM 0 H SER A 49 0.892 2.382 4.730 1.00 0.00 H new ATOM 0 HA SER A 49 0.041 4.291 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.168 4.199 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.652 2.536 3.359 1.00 0.00 H new ATOM 0 HG SER A 49 -1.475 4.039 5.802 1.00 0.00 H new ATOM 755 N SER A 50 1.602 5.416 4.654 1.00 0.00 N ATOM 756 CA SER A 50 2.069 6.491 5.521 1.00 0.00 C ATOM 757 C SER A 50 1.148 7.704 5.428 1.00 0.00 C ATOM 758 O SER A 50 0.920 8.400 6.416 1.00 0.00 O ATOM 759 CB SER A 50 3.497 6.892 5.147 1.00 0.00 C ATOM 760 OG SER A 50 3.697 6.821 3.745 1.00 0.00 O ATOM 0 H SER A 50 2.336 4.966 4.108 1.00 0.00 H new ATOM 0 HA SER A 50 2.058 6.126 6.548 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.696 7.906 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.206 6.236 5.652 1.00 0.00 H new ATOM 0 HG SER A 50 4.617 7.084 3.532 1.00 0.00 H new ATOM 766 N GLU A 51 0.621 7.948 4.232 1.00 0.00 N ATOM 767 CA GLU A 51 -0.275 9.077 4.009 1.00 0.00 C ATOM 768 C GLU A 51 -1.649 8.598 3.550 1.00 0.00 C ATOM 769 O GLU A 51 -1.869 7.402 3.357 1.00 0.00 O ATOM 770 CB GLU A 51 0.318 10.031 2.970 1.00 0.00 C ATOM 771 CG GLU A 51 1.533 10.795 3.469 1.00 0.00 C ATOM 772 CD GLU A 51 2.027 11.822 2.470 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.190 12.577 1.933 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.251 11.872 2.224 1.00 0.00 O ATOM 0 H GLU A 51 0.799 7.380 3.404 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.391 9.608 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.596 9.462 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.448 10.743 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.284 11.295 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.336 10.091 3.687 1.00 0.00 H new ATOM 781 N ILE A 52 -2.570 9.540 3.377 1.00 0.00 N ATOM 782 CA ILE A 52 -3.922 9.215 2.940 1.00 0.00 C ATOM 783 C ILE A 52 -4.075 9.409 1.435 1.00 0.00 C ATOM 784 O ILE A 52 -4.506 8.503 0.722 1.00 0.00 O ATOM 785 CB ILE A 52 -4.971 10.077 3.667 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.866 9.879 5.181 1.00 0.00 C ATOM 787 CG2 ILE A 52 -6.370 9.732 3.178 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.746 10.818 5.976 1.00 0.00 C ATOM 0 H ILE A 52 -2.405 10.534 3.533 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.090 8.167 3.188 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.777 11.126 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.133 8.851 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.829 10.020 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.101 10.349 3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.437 9.919 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.576 8.680 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.620 10.621 7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.464 11.849 5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.789 10.662 5.699 1.00 0.00 H new ATOM 800 N HIS A 53 -3.718 10.597 0.958 1.00 0.00 N ATOM 801 CA HIS A 53 -3.813 10.911 -0.463 1.00 0.00 C ATOM 802 C HIS A 53 -2.759 10.147 -1.259 1.00 0.00 C ATOM 803 O HIS A 53 -3.030 9.655 -2.355 1.00 0.00 O ATOM 804 CB HIS A 53 -3.649 12.414 -0.688 1.00 0.00 C ATOM 805 CG HIS A 53 -4.346 13.253 0.339 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.697 13.523 0.300 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.870 13.881 1.440 1.00 0.00 C ATOM 808 CE1 HIS A 53 -6.022 14.282 1.330 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.932 14.514 2.038 1.00 0.00 N ATOM 0 H HIS A 53 -3.360 11.358 1.535 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.799 10.606 -0.812 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.587 12.660 -0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.033 12.669 -1.676 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.846 13.884 1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.012 14.651 1.555 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.886 15.072 2.890 1.00 0.00 H new ATOM 818 N TRP A 54 -1.557 10.054 -0.702 1.00 0.00 N ATOM 819 CA TRP A 54 -0.462 9.351 -1.361 1.00 0.00 C ATOM 820 C TRP A 54 -0.186 8.014 -0.682 1.00 0.00 C ATOM 821 O TRP A 54 0.175 7.968 0.494 1.00 0.00 O ATOM 822 CB TRP A 54 0.802 10.212 -1.352 1.00 0.00 C ATOM 823 CG TRP A 54 0.613 11.553 -1.996 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.619 12.768 -1.373 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.387 11.812 -3.385 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.411 13.768 -2.293 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.266 13.208 -3.534 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.277 11.002 -4.518 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.040 13.807 -4.770 1.00 0.00 C ATOM 830 CZ3 TRP A 54 0.053 11.598 -5.745 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.063 12.990 -5.863 1.00 0.00 C ATOM 0 H TRP A 54 -1.316 10.456 0.204 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.755 9.159 -2.393 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.128 10.355 -0.322 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.600 9.678 -1.868 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.766 12.921 -0.314 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.371 14.766 -2.085 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.365 9.929 -4.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.051 14.879 -4.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.034 10.981 -6.627 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.237 13.426 -6.836 1.00 0.00 H new ATOM 842 N TRP A 55 -0.359 6.930 -1.429 1.00 0.00 N ATOM 843 CA TRP A 55 -0.128 5.591 -0.898 1.00 0.00 C ATOM 844 C TRP A 55 1.012 4.901 -1.638 1.00 0.00 C ATOM 845 O TRP A 55 1.090 4.955 -2.866 1.00 0.00 O ATOM 846 CB TRP A 55 -1.402 4.752 -1.002 1.00 0.00 C ATOM 847 CG TRP A 55 -2.353 4.972 0.135 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.193 5.834 1.182 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.609 4.316 0.341 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.275 5.754 2.026 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.157 4.831 1.532 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.324 3.345 -0.365 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.386 4.406 2.030 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.544 2.924 0.131 1.00 0.00 C ATOM 855 CH2 TRP A 55 -6.065 3.455 1.318 1.00 0.00 C ATOM 0 H TRP A 55 -0.658 6.951 -2.404 1.00 0.00 H new ATOM 0 HA TRP A 55 0.151 5.687 0.151 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.907 4.986 -1.939 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.131 3.697 -1.041 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.342 6.483 1.326 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.400 6.295 2.882 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.931 2.931 -1.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.789 4.813 2.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.105 2.173 -0.406 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.022 3.107 1.678 1.00 0.00 H new ATOM 866 N ARG A 56 1.895 4.253 -0.885 1.00 0.00 N ATOM 867 CA ARG A 56 3.031 3.553 -1.471 1.00 0.00 C ATOM 868 C ARG A 56 2.671 2.106 -1.794 1.00 0.00 C ATOM 869 O ARG A 56 2.420 1.302 -0.895 1.00 0.00 O ATOM 870 CB ARG A 56 4.228 3.591 -0.518 1.00 0.00 C ATOM 871 CG ARG A 56 5.549 3.249 -1.185 1.00 0.00 C ATOM 872 CD ARG A 56 6.652 3.035 -0.160 1.00 0.00 C ATOM 873 NE ARG A 56 7.955 2.838 -0.791 1.00 0.00 N ATOM 874 CZ ARG A 56 9.071 2.598 -0.112 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.043 2.524 1.211 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.218 2.430 -0.758 1.00 0.00 N ATOM 0 H ARG A 56 1.845 4.198 0.132 1.00 0.00 H new ATOM 0 HA ARG A 56 3.297 4.059 -2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.300 4.586 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.052 2.893 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.431 2.348 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.833 4.052 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.699 3.896 0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.412 2.168 0.455 1.00 0.00 H new ATOM 0 HE ARG A 56 8.011 2.887 -1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.163 2.651 1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.902 2.340 1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.243 2.485 -1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.075 2.246 -0.236 1.00 0.00 H new ATOM 890 N VAL A 57 2.647 1.780 -3.082 1.00 0.00 N ATOM 891 CA VAL A 57 2.318 0.430 -3.524 1.00 0.00 C ATOM 892 C VAL A 57 3.374 -0.106 -4.484 1.00 0.00 C ATOM 893 O VAL A 57 4.327 0.593 -4.828 1.00 0.00 O ATOM 894 CB VAL A 57 0.942 0.386 -4.215 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.077 1.194 -3.427 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.048 0.894 -5.645 1.00 0.00 C ATOM 0 H VAL A 57 2.852 2.433 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 57 2.289 -0.197 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 57 0.603 -0.649 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.043 1.151 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.172 0.780 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.253 2.231 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.067 0.856 -6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.409 1.923 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.744 0.268 -6.203 1.00 0.00 H new ATOM 906 N GLN A 58 3.198 -1.352 -4.913 1.00 0.00 N ATOM 907 CA GLN A 58 4.136 -1.983 -5.833 1.00 0.00 C ATOM 908 C GLN A 58 3.396 -2.743 -6.929 1.00 0.00 C ATOM 909 O GLN A 58 2.363 -3.363 -6.678 1.00 0.00 O ATOM 910 CB GLN A 58 5.066 -2.932 -5.076 1.00 0.00 C ATOM 911 CG GLN A 58 6.076 -3.635 -5.968 1.00 0.00 C ATOM 912 CD GLN A 58 7.216 -4.255 -5.184 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.303 -5.476 -5.054 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.098 -3.414 -4.657 1.00 0.00 N ATOM 0 H GLN A 58 2.414 -1.944 -4.638 1.00 0.00 H new ATOM 0 HA GLN A 58 4.732 -1.198 -6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.600 -2.370 -4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.465 -3.682 -4.561 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.570 -4.412 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.480 -2.921 -6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.987 -2.409 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.887 -3.773 -4.119 1.00 0.00 H new ATOM 923 N ASP A 59 3.932 -2.691 -8.143 1.00 0.00 N ATOM 924 CA ASP A 59 3.323 -3.376 -9.277 1.00 0.00 C ATOM 925 C ASP A 59 3.751 -4.840 -9.322 1.00 0.00 C ATOM 926 O ASP A 59 4.740 -5.226 -8.700 1.00 0.00 O ATOM 927 CB ASP A 59 3.703 -2.680 -10.585 1.00 0.00 C ATOM 928 CG ASP A 59 3.096 -3.356 -11.799 1.00 0.00 C ATOM 929 OD1 ASP A 59 1.868 -3.240 -11.989 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.849 -4.002 -12.558 1.00 0.00 O ATOM 0 H ASP A 59 4.787 -2.182 -8.367 1.00 0.00 H new ATOM 0 HA ASP A 59 2.241 -3.336 -9.155 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.374 -1.641 -10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.788 -2.668 -10.684 1.00 0.00 H new ATOM 935 N ARG A 60 2.999 -5.648 -10.061 1.00 0.00 N ATOM 936 CA ARG A 60 3.299 -7.070 -10.185 1.00 0.00 C ATOM 937 C ARG A 60 4.682 -7.282 -10.794 1.00 0.00 C ATOM 938 O ARG A 60 5.343 -8.284 -10.522 1.00 0.00 O ATOM 939 CB ARG A 60 2.240 -7.763 -11.044 1.00 0.00 C ATOM 940 CG ARG A 60 2.449 -7.575 -12.538 1.00 0.00 C ATOM 941 CD ARG A 60 1.512 -8.459 -13.347 1.00 0.00 C ATOM 942 NE ARG A 60 0.197 -7.848 -13.520 1.00 0.00 N ATOM 943 CZ ARG A 60 -0.745 -8.344 -14.315 1.00 0.00 C ATOM 944 NH1 ARG A 60 -0.518 -9.452 -15.006 1.00 0.00 N ATOM 945 NH2 ARG A 60 -1.917 -7.731 -14.419 1.00 0.00 N ATOM 0 H ARG A 60 2.178 -5.343 -10.583 1.00 0.00 H new ATOM 0 HA ARG A 60 3.290 -7.507 -9.186 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.241 -8.829 -10.817 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.256 -7.380 -10.772 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.283 -6.530 -12.801 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.483 -7.808 -12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.952 -8.655 -14.325 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.402 -9.422 -12.849 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.010 -6.994 -13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.382 -9.926 -14.928 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.243 -9.830 -15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.095 -6.878 -13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.640 -8.112 -15.030 1.00 0.00 H new ATOM 959 N ASN A 61 5.113 -6.333 -11.618 1.00 0.00 N ATOM 960 CA ASN A 61 6.416 -6.416 -12.266 1.00 0.00 C ATOM 961 C ASN A 61 7.533 -6.054 -11.291 1.00 0.00 C ATOM 962 O ASN A 61 8.602 -6.662 -11.301 1.00 0.00 O ATOM 963 CB ASN A 61 6.465 -5.489 -13.482 1.00 0.00 C ATOM 964 CG ASN A 61 5.973 -6.167 -14.746 1.00 0.00 C ATOM 965 OD1 ASN A 61 6.353 -7.299 -15.045 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.122 -5.475 -15.495 1.00 0.00 N ATOM 0 H ASN A 61 4.578 -5.497 -11.853 1.00 0.00 H new ATOM 0 HA ASN A 61 6.565 -7.444 -12.596 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.857 -4.606 -13.287 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.488 -5.145 -13.632 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.756 -5.879 -16.357 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.834 -4.539 -15.208 1.00 0.00 H new ATOM 973 N GLY A 62 7.275 -5.058 -10.448 1.00 0.00 N ATOM 974 CA GLY A 62 8.267 -4.632 -9.478 1.00 0.00 C ATOM 975 C GLY A 62 8.494 -3.133 -9.501 1.00 0.00 C ATOM 976 O GLY A 62 9.594 -2.661 -9.216 1.00 0.00 O ATOM 0 H GLY A 62 6.397 -4.539 -10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.948 -4.933 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.209 -5.142 -9.678 1.00 0.00 H new ATOM 980 N HIS A 63 7.451 -2.384 -9.844 1.00 0.00 N ATOM 981 CA HIS A 63 7.542 -0.929 -9.904 1.00 0.00 C ATOM 982 C HIS A 63 6.634 -0.284 -8.862 1.00 0.00 C ATOM 983 O HIS A 63 5.420 -0.483 -8.875 1.00 0.00 O ATOM 984 CB HIS A 63 7.169 -0.431 -11.301 1.00 0.00 C ATOM 985 CG HIS A 63 7.568 -1.370 -12.398 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.937 -1.406 -13.624 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.541 -2.309 -12.449 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.504 -2.328 -14.381 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.481 -2.891 -13.691 1.00 0.00 N ATOM 0 H HIS A 63 6.534 -2.760 -10.084 1.00 0.00 H new ATOM 0 HA HIS A 63 8.572 -0.645 -9.688 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.092 -0.271 -11.345 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.642 0.536 -11.471 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.236 -2.555 -11.659 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.218 -2.579 -15.392 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.091 -3.636 -14.027 1.00 0.00 H new ATOM 998 N GLU A 64 7.232 0.489 -7.960 1.00 0.00 N ATOM 999 CA GLU A 64 6.476 1.161 -6.910 1.00 0.00 C ATOM 1000 C GLU A 64 6.652 2.675 -6.997 1.00 0.00 C ATOM 1001 O GLU A 64 7.369 3.179 -7.860 1.00 0.00 O ATOM 1002 CB GLU A 64 6.920 0.664 -5.533 1.00 0.00 C ATOM 1003 CG GLU A 64 8.429 0.575 -5.375 1.00 0.00 C ATOM 1004 CD GLU A 64 9.101 1.933 -5.418 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.916 2.718 -4.464 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.813 2.211 -6.406 1.00 0.00 O ATOM 0 H GLU A 64 8.236 0.665 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 64 5.421 0.926 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.522 1.332 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.486 -0.320 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.663 0.088 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.837 -0.053 -6.167 1.00 0.00 H new ATOM 1013 N GLY A 65 5.990 3.394 -6.096 1.00 0.00 N ATOM 1014 CA GLY A 65 6.085 4.843 -6.088 1.00 0.00 C ATOM 1015 C GLY A 65 4.937 5.495 -5.344 1.00 0.00 C ATOM 1016 O GLY A 65 4.142 4.814 -4.694 1.00 0.00 O ATOM 0 H GLY A 65 5.390 3.000 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.027 5.140 -5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.103 5.209 -7.115 1.00 0.00 H new ATOM 1020 N TYR A 66 4.849 6.817 -5.437 1.00 0.00 N ATOM 1021 CA TYR A 66 3.792 7.562 -4.764 1.00 0.00 C ATOM 1022 C TYR A 66 2.608 7.794 -5.698 1.00 0.00 C ATOM 1023 O TYR A 66 2.669 8.630 -6.600 1.00 0.00 O ATOM 1024 CB TYR A 66 4.327 8.903 -4.258 1.00 0.00 C ATOM 1025 CG TYR A 66 5.284 8.773 -3.095 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.945 8.032 -1.970 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.528 9.392 -3.121 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.816 7.911 -0.904 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.406 9.275 -2.061 1.00 0.00 C ATOM 1030 CZ TYR A 66 7.046 8.534 -0.955 1.00 0.00 C ATOM 1031 OH TYR A 66 7.917 8.416 0.103 1.00 0.00 O ATOM 0 H TYR A 66 5.497 7.395 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 66 3.450 6.970 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.831 9.416 -5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.487 9.530 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.984 7.542 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.813 9.974 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.536 7.332 -0.036 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.370 9.761 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 66 8.739 8.913 -0.093 1.00 0.00 H new ATOM 1041 N VAL A 67 1.531 7.047 -5.475 1.00 0.00 N ATOM 1042 CA VAL A 67 0.332 7.171 -6.295 1.00 0.00 C ATOM 1043 C VAL A 67 -0.852 7.656 -5.467 1.00 0.00 C ATOM 1044 O VAL A 67 -0.927 7.437 -4.258 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.035 5.831 -6.959 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.865 5.563 -8.156 1.00 0.00 C ATOM 1047 CG2 VAL A 67 0.054 4.695 -5.951 1.00 0.00 C ATOM 0 H VAL A 67 1.465 6.350 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 67 0.554 7.904 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.064 5.892 -7.314 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.590 4.612 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.747 6.363 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.904 5.522 -7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.209 3.756 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.071 4.631 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.636 4.883 -5.129 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.802 8.332 -6.131 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.001 8.861 -5.476 1.00 0.00 C ATOM 1059 C PRO A 68 -3.957 7.758 -5.035 1.00 0.00 C ATOM 1060 O PRO A 68 -4.611 7.123 -5.863 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.647 9.725 -6.562 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.165 9.142 -7.846 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.778 8.629 -7.573 1.00 0.00 C ATOM 0 HA PRO A 68 -2.759 9.407 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.735 9.695 -6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.351 10.769 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.820 8.337 -8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.155 9.893 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.555 7.740 -8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.019 9.372 -7.818 1.00 0.00 H new ATOM 1071 N SER A 69 -4.032 7.534 -3.727 1.00 0.00 N ATOM 1072 CA SER A 69 -4.906 6.504 -3.177 1.00 0.00 C ATOM 1073 C SER A 69 -6.284 6.554 -3.831 1.00 0.00 C ATOM 1074 O SER A 69 -6.957 5.532 -3.964 1.00 0.00 O ATOM 1075 CB SER A 69 -5.041 6.676 -1.663 1.00 0.00 C ATOM 1076 OG SER A 69 -6.272 6.149 -1.198 1.00 0.00 O ATOM 0 H SER A 69 -3.498 8.052 -3.029 1.00 0.00 H new ATOM 0 HA SER A 69 -4.459 5.532 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.214 6.173 -1.161 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.974 7.733 -1.406 1.00 0.00 H new ATOM 0 HG SER A 69 -6.124 5.256 -0.822 1.00 0.00 H new ATOM 1082 N SER A 70 -6.696 7.751 -4.237 1.00 0.00 N ATOM 1083 CA SER A 70 -7.994 7.936 -4.874 1.00 0.00 C ATOM 1084 C SER A 70 -8.223 6.887 -5.958 1.00 0.00 C ATOM 1085 O SER A 70 -9.254 6.214 -5.979 1.00 0.00 O ATOM 1086 CB SER A 70 -8.095 9.339 -5.476 1.00 0.00 C ATOM 1087 OG SER A 70 -8.506 10.284 -4.503 1.00 0.00 O ATOM 0 H SER A 70 -6.150 8.606 -4.136 1.00 0.00 H new ATOM 0 HA SER A 70 -8.765 7.819 -4.112 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.129 9.632 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.804 9.333 -6.304 1.00 0.00 H new ATOM 0 HG SER A 70 -8.561 11.173 -4.913 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.254 6.754 -6.857 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.349 5.790 -7.946 1.00 0.00 C ATOM 1095 C TYR A 71 -7.391 4.363 -7.408 1.00 0.00 C ATOM 1096 O TYR A 71 -8.128 3.516 -7.915 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.167 5.951 -8.903 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.291 7.145 -9.822 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.687 8.384 -9.334 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -6.012 7.033 -11.179 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.802 9.477 -10.171 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -6.124 8.122 -12.023 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.519 9.341 -11.514 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.632 10.427 -12.351 1.00 0.00 O ATOM 0 H TYR A 71 -6.394 7.302 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.275 5.983 -8.488 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.250 6.044 -8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.072 5.048 -9.505 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.909 8.495 -8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.703 6.079 -11.581 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.112 10.433 -9.776 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.903 8.019 -13.075 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.396 10.162 -13.264 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.595 4.103 -6.376 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.541 2.779 -5.766 1.00 0.00 C ATOM 1116 C LEU A 72 -7.843 2.460 -5.038 1.00 0.00 C ATOM 1117 O LEU A 72 -8.440 3.330 -4.404 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.364 2.693 -4.792 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.991 3.042 -5.366 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.943 3.070 -4.264 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.598 2.051 -6.452 1.00 0.00 C ATOM 0 H LEU A 72 -5.978 4.791 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.402 2.046 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.564 3.358 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.322 1.680 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.048 4.035 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.972 3.320 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.216 3.819 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.889 2.091 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.618 2.316 -6.849 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.560 1.046 -6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.334 2.080 -7.255 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.276 1.207 -5.133 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.506 0.772 -4.481 1.00 0.00 C ATOM 1135 C VAL A 73 -9.308 -0.561 -3.768 1.00 0.00 C ATOM 1136 O VAL A 73 -8.607 -1.442 -4.264 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.659 0.636 -5.492 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.727 1.859 -6.393 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.499 -0.634 -6.314 1.00 0.00 C ATOM 0 H VAL A 73 -7.794 0.475 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.764 1.537 -3.749 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.597 0.569 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.548 1.744 -7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.893 2.749 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.789 1.961 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.323 -0.714 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.554 -0.599 -6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.505 -1.499 -5.651 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.931 -0.701 -2.602 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.823 -1.927 -1.821 1.00 0.00 C ATOM 1151 C GLU A 74 -10.629 -3.053 -2.462 1.00 0.00 C ATOM 1152 O GLU A 74 -11.860 -3.036 -2.451 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.306 -1.691 -0.389 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.715 -2.661 0.621 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.631 -2.900 1.805 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.939 -1.925 2.522 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -11.040 -4.061 2.014 1.00 0.00 O ATOM 0 H GLU A 74 -10.515 0.019 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.774 -2.221 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.054 -0.673 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.393 -1.770 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.508 -3.611 0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.761 -2.272 0.977 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.926 -4.032 -3.022 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.573 -5.168 -3.668 1.00 0.00 C ATOM 1166 C LYS A 75 -11.666 -5.750 -2.776 1.00 0.00 C ATOM 1167 O LYS A 75 -11.387 -6.267 -1.695 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.542 -6.248 -4.001 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.152 -7.515 -4.576 1.00 0.00 C ATOM 1170 CD LYS A 75 -9.185 -8.226 -5.508 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.899 -9.253 -6.373 1.00 0.00 C ATOM 1172 NZ LYS A 75 -10.885 -8.617 -7.290 1.00 0.00 N ATOM 0 H LYS A 75 -8.907 -4.061 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.031 -4.816 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.823 -5.845 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.987 -6.500 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.435 -8.185 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.065 -7.267 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.688 -7.495 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.409 -8.718 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.165 -9.808 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.410 -9.974 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.047 -9.237 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.782 -8.468 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.515 -7.701 -7.616 1.00 0.00 H new