USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 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 23 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.17) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= -0.914! (180deg=-1.12!) USER MOD Single : A 29 GLN : amide:sc= -1.68 K(o=-1.7,f=-4.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-6.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -170:sc= -1.93 (180deg=-2.23) USER MOD Single : A 41 THR OG1 : rot -48:sc= 0.56 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.495 X(o=-0.49,f=-0.043) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 1.21 (180deg=1.2) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0843) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0.761 (180deg=0.476) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 6:sc= -2.28 USER MOD Single : A 52 CYS SG : rot 81:sc= -2.97! USER MOD Single : A 53 GLN : amide:sc= -0.0372 K(o=-0.037,f=-0.68) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.507 F(o=-2.8!,f=-0.51) USER MOD Single : A 59 MET CE :methyl 168:sc=-0.00221 (180deg=-0.274) USER MOD Single : A 60 ASN : amide:sc= -2.45! C(o=-2.4!,f=-4.4!) USER MOD Single : A 61 SER OG : rot -160:sc= -2.77! USER MOD Single : A 69 GLN : amide:sc= -2.92! C(o=-2.9!,f=-2.9!) USER MOD Single : A 74 ASN : amide:sc= -0.0872 X(o=-0.087,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-5.4!) USER MOD Single : A 76 THR OG1 : rot -118:sc= -0.398 USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= -0.465 (180deg=-0.761) USER MOD Single : A 82 MET CE :methyl 158:sc= -0.748 (180deg=-1.45) USER MOD Single : A 91 TYR OH : rot 167:sc= 0.11 USER MOD Single : A 92 GLN : amide:sc= -0.0985 K(o=-0.098,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -4.025 9.194 7.387 1.00 0.00 N ATOM 312 CA ILE A 22 -5.270 8.723 6.839 1.00 0.00 C ATOM 313 C ILE A 22 -5.235 7.213 6.748 1.00 0.00 C ATOM 314 O ILE A 22 -4.212 6.579 7.013 1.00 0.00 O ATOM 315 CB ILE A 22 -5.553 9.312 5.442 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.548 8.779 4.430 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.519 10.834 5.494 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.762 9.280 3.018 1.00 0.00 C ATOM 0 HA ILE A 22 -6.070 9.051 7.503 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.550 9.004 5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.544 9.054 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.595 7.690 4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.720 11.237 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.277 11.191 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.535 11.165 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.004 8.853 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.752 8.982 2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.685 10.367 3.002 1.00 0.00 H new ATOM 330 N LYS A 23 -6.337 6.633 6.400 1.00 0.00 N ATOM 331 CA LYS A 23 -6.430 5.199 6.319 1.00 0.00 C ATOM 332 C LYS A 23 -6.639 4.791 4.881 1.00 0.00 C ATOM 333 O LYS A 23 -7.272 5.498 4.136 1.00 0.00 O ATOM 334 CB LYS A 23 -7.607 4.727 7.164 1.00 0.00 C ATOM 335 CG LYS A 23 -7.613 5.301 8.577 1.00 0.00 C ATOM 336 CD LYS A 23 -9.036 5.508 9.096 1.00 0.00 C ATOM 337 CE LYS A 23 -9.771 6.597 8.301 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.155 6.833 8.797 1.00 0.00 N ATOM 0 H LYS A 23 -7.196 7.129 6.164 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.511 4.747 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.536 5.003 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.588 3.639 7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.076 4.628 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.080 6.252 8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.589 4.571 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.004 5.784 10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.205 7.527 8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.810 6.311 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.476 7.775 8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.791 6.108 8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.165 6.781 9.836 1.00 0.00 H new ATOM 352 N LEU A 24 -6.050 3.705 4.471 1.00 0.00 N ATOM 353 CA LEU A 24 -6.302 3.191 3.133 1.00 0.00 C ATOM 354 C LEU A 24 -6.460 1.693 3.155 1.00 0.00 C ATOM 355 O LEU A 24 -6.029 1.016 4.098 1.00 0.00 O ATOM 356 CB LEU A 24 -5.213 3.598 2.125 1.00 0.00 C ATOM 357 CG LEU A 24 -5.185 5.073 1.705 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.326 5.873 2.644 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.693 5.218 0.276 1.00 0.00 C ATOM 0 H LEU A 24 -5.397 3.155 5.028 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.235 3.644 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.242 3.346 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.334 2.990 1.228 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.203 5.460 1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.318 6.917 2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.727 5.801 3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.309 5.482 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.682 6.273 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.685 4.811 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.359 4.675 -0.395 1.00 0.00 H new ATOM 371 N LYS A 25 -7.082 1.166 2.130 1.00 0.00 N ATOM 372 CA LYS A 25 -7.306 -0.246 2.032 1.00 0.00 C ATOM 373 C LYS A 25 -6.900 -0.756 0.670 1.00 0.00 C ATOM 374 O LYS A 25 -7.051 -0.074 -0.334 1.00 0.00 O ATOM 375 CB LYS A 25 -8.772 -0.567 2.305 1.00 0.00 C ATOM 376 CG LYS A 25 -9.094 -2.050 2.276 1.00 0.00 C ATOM 377 CD LYS A 25 -9.952 -2.428 1.085 1.00 0.00 C ATOM 378 CE LYS A 25 -11.298 -1.711 1.128 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.271 -2.256 0.148 1.00 0.00 N ATOM 0 H LYS A 25 -7.445 1.706 1.344 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.693 -0.746 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.046 -0.165 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.389 -0.057 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.166 -2.621 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.610 -2.326 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.431 -2.174 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.111 -3.506 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.716 -1.792 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.146 -0.650 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.183 -1.767 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.911 -2.110 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.402 -3.274 0.318 1.00 0.00 H new ATOM 393 N VAL A 26 -6.361 -1.942 0.638 1.00 0.00 N ATOM 394 CA VAL A 26 -5.959 -2.548 -0.601 1.00 0.00 C ATOM 395 C VAL A 26 -6.824 -3.740 -0.931 1.00 0.00 C ATOM 396 O VAL A 26 -7.219 -4.502 -0.046 1.00 0.00 O ATOM 397 CB VAL A 26 -4.453 -2.948 -0.564 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.204 -4.306 -1.218 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.628 -1.882 -1.252 1.00 0.00 C ATOM 0 H VAL A 26 -6.188 -2.514 1.465 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.093 -1.809 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.155 -3.031 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.141 -4.544 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.772 -5.073 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.521 -4.271 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.575 -2.163 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.951 -1.784 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.762 -0.930 -0.739 1.00 0.00 H new ATOM 409 N ILE A 27 -7.143 -3.886 -2.200 1.00 0.00 N ATOM 410 CA ILE A 27 -7.875 -5.031 -2.665 1.00 0.00 C ATOM 411 C ILE A 27 -6.917 -5.911 -3.409 1.00 0.00 C ATOM 412 O ILE A 27 -6.383 -5.523 -4.447 1.00 0.00 O ATOM 413 CB ILE A 27 -9.051 -4.654 -3.597 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.090 -3.823 -2.840 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.693 -5.918 -4.182 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.743 -4.564 -1.698 1.00 0.00 C ATOM 0 H ILE A 27 -6.901 -3.215 -2.929 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.308 -5.536 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.664 -4.051 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.611 -2.924 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.861 -3.497 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.519 -5.637 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.949 -6.472 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.068 -6.544 -3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.467 -3.913 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.252 -5.448 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.982 -4.867 -0.978 1.00 0.00 H new ATOM 428 N GLY A 28 -6.693 -7.090 -2.900 1.00 0.00 N ATOM 429 CA GLY A 28 -5.754 -7.962 -3.503 1.00 0.00 C ATOM 430 C GLY A 28 -6.375 -8.772 -4.598 1.00 0.00 C ATOM 431 O GLY A 28 -7.597 -8.807 -4.752 1.00 0.00 O ATOM 0 H GLY A 28 -7.154 -7.460 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.924 -7.381 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.339 -8.629 -2.747 1.00 0.00 H new ATOM 435 N GLN A 29 -5.544 -9.438 -5.342 1.00 0.00 N ATOM 436 CA GLN A 29 -5.968 -10.304 -6.439 1.00 0.00 C ATOM 437 C GLN A 29 -6.788 -11.480 -5.909 1.00 0.00 C ATOM 438 O GLN A 29 -7.589 -12.082 -6.623 1.00 0.00 O ATOM 439 CB GLN A 29 -4.734 -10.809 -7.217 1.00 0.00 C ATOM 440 CG GLN A 29 -3.417 -10.635 -6.453 1.00 0.00 C ATOM 441 CD GLN A 29 -3.409 -11.376 -5.133 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.908 -12.484 -5.029 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.923 -10.728 -4.099 1.00 0.00 N ATOM 0 H GLN A 29 -4.533 -9.405 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.599 -9.729 -7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.871 -11.864 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.668 -10.275 -8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.593 -10.991 -7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.244 -9.574 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.513 -9.802 -4.224 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.956 -11.150 -3.171 1.00 0.00 H new ATOM 452 N ASP A 30 -6.597 -11.779 -4.637 1.00 0.00 N ATOM 453 CA ASP A 30 -7.282 -12.873 -3.977 1.00 0.00 C ATOM 454 C ASP A 30 -8.420 -12.319 -3.124 1.00 0.00 C ATOM 455 O ASP A 30 -8.965 -13.005 -2.263 1.00 0.00 O ATOM 456 CB ASP A 30 -6.282 -13.647 -3.105 1.00 0.00 C ATOM 457 CG ASP A 30 -6.781 -15.013 -2.689 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.941 -15.885 -3.571 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.991 -15.237 -1.479 1.00 0.00 O ATOM 0 H ASP A 30 -5.958 -11.266 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.700 -13.552 -4.720 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.346 -13.761 -3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.060 -13.062 -2.213 1.00 0.00 H new ATOM 464 N SER A 31 -8.764 -11.044 -3.373 1.00 0.00 N ATOM 465 CA SER A 31 -9.839 -10.344 -2.654 1.00 0.00 C ATOM 466 C SER A 31 -9.439 -10.067 -1.205 1.00 0.00 C ATOM 467 O SER A 31 -10.283 -9.828 -0.340 1.00 0.00 O ATOM 468 CB SER A 31 -11.147 -11.138 -2.720 1.00 0.00 C ATOM 469 OG SER A 31 -11.536 -11.362 -4.069 1.00 0.00 O ATOM 0 H SER A 31 -8.303 -10.470 -4.079 1.00 0.00 H new ATOM 0 HA SER A 31 -10.003 -9.385 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.024 -12.093 -2.209 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.934 -10.595 -2.196 1.00 0.00 H new ATOM 0 HG SER A 31 -12.373 -11.872 -4.088 1.00 0.00 H new ATOM 475 N SER A 32 -8.147 -10.103 -0.950 1.00 0.00 N ATOM 476 CA SER A 32 -7.615 -9.838 0.367 1.00 0.00 C ATOM 477 C SER A 32 -7.627 -8.340 0.647 1.00 0.00 C ATOM 478 O SER A 32 -6.950 -7.570 -0.037 1.00 0.00 O ATOM 479 CB SER A 32 -6.180 -10.381 0.464 1.00 0.00 C ATOM 480 OG SER A 32 -5.713 -10.383 1.804 1.00 0.00 O ATOM 0 H SER A 32 -7.438 -10.317 -1.651 1.00 0.00 H new ATOM 0 HA SER A 32 -8.238 -10.337 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.146 -11.395 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.518 -9.773 -0.152 1.00 0.00 H new ATOM 0 HG SER A 32 -4.799 -10.735 1.831 1.00 0.00 H new ATOM 486 N GLU A 33 -8.425 -7.916 1.617 1.00 0.00 N ATOM 487 CA GLU A 33 -8.470 -6.519 1.994 1.00 0.00 C ATOM 488 C GLU A 33 -7.464 -6.227 3.070 1.00 0.00 C ATOM 489 O GLU A 33 -7.577 -6.712 4.197 1.00 0.00 O ATOM 490 CB GLU A 33 -9.834 -6.109 2.512 1.00 0.00 C ATOM 491 CG GLU A 33 -10.952 -6.173 1.506 1.00 0.00 C ATOM 492 CD GLU A 33 -11.996 -5.120 1.789 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.971 -4.533 2.897 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.823 -4.837 0.897 1.00 0.00 O ATOM 0 H GLU A 33 -9.047 -8.521 2.153 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.245 -5.953 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.091 -6.749 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.768 -5.090 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.551 -6.032 0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.411 -7.161 1.530 1.00 0.00 H new ATOM 501 N ILE A 34 -6.483 -5.451 2.746 1.00 0.00 N ATOM 502 CA ILE A 34 -5.506 -5.045 3.723 1.00 0.00 C ATOM 503 C ILE A 34 -5.820 -3.618 4.142 1.00 0.00 C ATOM 504 O ILE A 34 -6.023 -2.751 3.294 1.00 0.00 O ATOM 505 CB ILE A 34 -4.068 -5.126 3.153 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.826 -6.502 2.504 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.045 -4.874 4.255 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.902 -7.667 3.475 1.00 0.00 C ATOM 0 H ILE A 34 -6.329 -5.079 1.809 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.554 -5.717 4.580 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.954 -4.356 2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.561 -6.653 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.844 -6.501 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.039 -4.934 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.203 -3.882 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.160 -5.625 5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.720 -8.599 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.148 -7.542 4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.892 -7.697 3.930 1.00 0.00 H new ATOM 520 N HIS A 35 -5.885 -3.358 5.438 1.00 0.00 N ATOM 521 CA HIS A 35 -6.240 -2.035 5.935 1.00 0.00 C ATOM 522 C HIS A 35 -5.072 -1.473 6.722 1.00 0.00 C ATOM 523 O HIS A 35 -4.691 -2.010 7.759 1.00 0.00 O ATOM 524 CB HIS A 35 -7.493 -2.089 6.834 1.00 0.00 C ATOM 525 CG HIS A 35 -8.775 -2.516 6.152 1.00 0.00 C ATOM 526 ND1 HIS A 35 -10.007 -1.980 6.468 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.017 -3.452 5.199 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.946 -2.567 5.748 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.377 -3.463 4.971 1.00 0.00 N ATOM 0 H HIS A 35 -5.697 -4.046 6.167 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.466 -1.394 5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.296 -2.775 7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.647 -1.102 7.270 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.281 -4.073 4.710 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.003 -2.348 5.790 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.862 -4.067 4.308 1.00 0.00 H new ATOM 538 N PHE A 36 -4.517 -0.397 6.238 1.00 0.00 N ATOM 539 CA PHE A 36 -3.323 0.195 6.832 1.00 0.00 C ATOM 540 C PHE A 36 -3.508 1.685 7.087 1.00 0.00 C ATOM 541 O PHE A 36 -4.486 2.295 6.638 1.00 0.00 O ATOM 542 CB PHE A 36 -2.118 -0.048 5.912 1.00 0.00 C ATOM 543 CG PHE A 36 -2.504 -0.132 4.471 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.794 1.004 3.747 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.605 -1.359 3.849 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.172 0.912 2.429 1.00 0.00 C ATOM 547 CE2 PHE A 36 -2.985 -1.452 2.535 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.268 -0.314 1.825 1.00 0.00 C ATOM 0 H PHE A 36 -4.869 0.103 5.422 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.145 -0.281 7.796 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.396 0.758 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.622 -0.973 6.206 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.724 1.973 4.219 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.382 -2.258 4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.394 1.808 1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.061 -2.419 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.567 -0.384 0.789 1.00 0.00 H new ATOM 558 N LYS A 37 -2.568 2.276 7.806 1.00 0.00 N ATOM 559 CA LYS A 37 -2.629 3.687 8.148 1.00 0.00 C ATOM 560 C LYS A 37 -1.387 4.397 7.611 1.00 0.00 C ATOM 561 O LYS A 37 -0.262 4.032 7.951 1.00 0.00 O ATOM 562 CB LYS A 37 -2.679 3.860 9.675 1.00 0.00 C ATOM 563 CG LYS A 37 -3.559 2.857 10.405 1.00 0.00 C ATOM 564 CD LYS A 37 -5.031 3.084 10.128 1.00 0.00 C ATOM 565 CE LYS A 37 -5.878 2.062 10.861 1.00 0.00 C ATOM 566 NZ LYS A 37 -7.324 2.322 10.699 1.00 0.00 N ATOM 0 H LYS A 37 -1.745 1.794 8.167 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.527 4.117 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.665 3.785 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.035 4.865 9.901 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.285 1.847 10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.377 2.928 11.477 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.314 4.089 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.219 3.018 9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.645 1.064 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.624 2.074 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.866 1.601 11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.552 3.264 11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.572 2.285 9.690 1.00 0.00 H new ATOM 580 N VAL A 38 -1.578 5.401 6.769 1.00 0.00 N ATOM 581 CA VAL A 38 -0.451 6.152 6.206 1.00 0.00 C ATOM 582 C VAL A 38 -0.776 7.638 6.153 1.00 0.00 C ATOM 583 O VAL A 38 -1.934 8.027 6.124 1.00 0.00 O ATOM 584 CB VAL A 38 -0.052 5.666 4.782 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.356 4.203 4.791 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.176 5.898 3.796 1.00 0.00 C ATOM 0 H VAL A 38 -2.496 5.719 6.458 1.00 0.00 H new ATOM 0 HA VAL A 38 0.397 5.974 6.867 1.00 0.00 H new ATOM 0 HB VAL A 38 0.810 6.253 4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.629 3.895 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.210 4.067 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.477 3.595 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.872 5.550 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.061 5.349 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.406 6.962 3.750 1.00 0.00 H new ATOM 596 N LYS A 39 0.239 8.473 6.142 1.00 0.00 N ATOM 597 CA LYS A 39 0.023 9.904 6.120 1.00 0.00 C ATOM 598 C LYS A 39 -0.141 10.407 4.683 1.00 0.00 C ATOM 599 O LYS A 39 0.221 9.721 3.733 1.00 0.00 O ATOM 600 CB LYS A 39 1.163 10.624 6.835 1.00 0.00 C ATOM 601 CG LYS A 39 0.873 12.075 7.106 1.00 0.00 C ATOM 602 CD LYS A 39 1.918 12.707 7.988 1.00 0.00 C ATOM 603 CE LYS A 39 1.573 14.155 8.263 1.00 0.00 C ATOM 604 NZ LYS A 39 2.422 14.750 9.332 1.00 0.00 N ATOM 0 H LYS A 39 1.218 8.188 6.148 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.902 10.125 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.367 10.119 7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.067 10.548 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.821 12.616 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.104 12.166 7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.989 12.159 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.894 12.644 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.690 14.733 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.525 14.227 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.147 15.742 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.292 14.217 10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.421 14.708 9.046 1.00 0.00 H new ATOM 618 N MET A 40 -0.680 11.613 4.517 1.00 0.00 N ATOM 619 CA MET A 40 -0.937 12.154 3.183 1.00 0.00 C ATOM 620 C MET A 40 0.343 12.545 2.465 1.00 0.00 C ATOM 621 O MET A 40 0.480 12.339 1.261 1.00 0.00 O ATOM 622 CB MET A 40 -1.891 13.358 3.246 1.00 0.00 C ATOM 623 CG MET A 40 -3.333 12.998 3.566 1.00 0.00 C ATOM 624 SD MET A 40 -4.443 13.200 2.150 1.00 0.00 S ATOM 625 CE MET A 40 -3.678 12.124 0.942 1.00 0.00 C ATOM 0 H MET A 40 -0.946 12.231 5.284 1.00 0.00 H new ATOM 0 HA MET A 40 -1.411 11.356 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.527 14.056 4.000 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.863 13.879 2.289 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.376 11.965 3.910 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.684 13.622 4.388 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.144 12.280 -0.031 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.614 12.350 0.875 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.810 11.085 1.245 1.00 0.00 H new ATOM 635 N THR A 41 1.291 13.090 3.201 1.00 0.00 N ATOM 636 CA THR A 41 2.538 13.565 2.617 1.00 0.00 C ATOM 637 C THR A 41 3.633 12.477 2.652 1.00 0.00 C ATOM 638 O THR A 41 4.817 12.751 2.439 1.00 0.00 O ATOM 639 CB THR A 41 3.028 14.846 3.355 1.00 0.00 C ATOM 640 OG1 THR A 41 4.138 15.436 2.667 1.00 0.00 O ATOM 641 CG2 THR A 41 3.429 14.529 4.793 1.00 0.00 C ATOM 0 H THR A 41 1.224 13.217 4.211 1.00 0.00 H new ATOM 0 HA THR A 41 2.343 13.807 1.572 1.00 0.00 H new ATOM 0 HB THR A 41 2.200 15.555 3.368 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.798 14.743 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.767 15.441 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.571 14.124 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.236 13.796 4.793 1.00 0.00 H new ATOM 649 N THR A 42 3.244 11.238 2.890 1.00 0.00 N ATOM 650 CA THR A 42 4.215 10.165 2.954 1.00 0.00 C ATOM 651 C THR A 42 4.298 9.448 1.610 1.00 0.00 C ATOM 652 O THR A 42 3.477 9.677 0.718 1.00 0.00 O ATOM 653 CB THR A 42 3.893 9.145 4.082 1.00 0.00 C ATOM 654 OG1 THR A 42 5.084 8.435 4.445 1.00 0.00 O ATOM 655 CG2 THR A 42 2.839 8.141 3.631 1.00 0.00 C ATOM 0 H THR A 42 2.276 10.953 3.040 1.00 0.00 H new ATOM 0 HA THR A 42 5.179 10.616 3.188 1.00 0.00 H new ATOM 0 HB THR A 42 3.507 9.700 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.878 7.794 5.157 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.634 7.440 4.440 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.923 8.669 3.368 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.205 7.594 2.762 1.00 0.00 H new ATOM 663 N HIS A 43 5.285 8.588 1.457 1.00 0.00 N ATOM 664 CA HIS A 43 5.449 7.848 0.227 1.00 0.00 C ATOM 665 C HIS A 43 4.610 6.585 0.232 1.00 0.00 C ATOM 666 O HIS A 43 4.478 5.905 1.253 1.00 0.00 O ATOM 667 CB HIS A 43 6.918 7.516 -0.032 1.00 0.00 C ATOM 668 CG HIS A 43 7.705 8.658 -0.594 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.064 8.801 -0.423 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.315 9.704 -1.358 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.472 9.883 -1.056 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.431 10.446 -1.630 1.00 0.00 N ATOM 0 H HIS A 43 5.985 8.386 2.171 1.00 0.00 H new ATOM 0 HA HIS A 43 5.100 8.486 -0.585 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.378 7.194 0.902 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.974 6.674 -0.722 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.309 9.914 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.488 10.246 -1.096 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.453 11.299 -2.188 1.00 0.00 H new ATOM 681 N LEU A 44 4.055 6.265 -0.923 1.00 0.00 N ATOM 682 CA LEU A 44 3.202 5.097 -1.100 1.00 0.00 C ATOM 683 C LEU A 44 4.033 3.836 -0.984 1.00 0.00 C ATOM 684 O LEU A 44 3.512 2.750 -0.774 1.00 0.00 O ATOM 685 CB LEU A 44 2.545 5.152 -2.489 1.00 0.00 C ATOM 686 CG LEU A 44 1.027 4.937 -2.560 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.647 3.549 -2.098 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.300 5.984 -1.745 1.00 0.00 C ATOM 0 H LEU A 44 4.183 6.812 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 44 2.430 5.092 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.769 6.124 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.022 4.400 -3.117 1.00 0.00 H new ATOM 0 HG LEU A 44 0.726 5.038 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.434 3.428 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.132 2.808 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.969 3.408 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.775 5.813 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.616 5.919 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.534 6.975 -2.134 1.00 0.00 H new ATOM 700 N LYS A 45 5.338 3.996 -1.108 1.00 0.00 N ATOM 701 CA LYS A 45 6.268 2.890 -1.067 1.00 0.00 C ATOM 702 C LYS A 45 6.106 2.035 0.183 1.00 0.00 C ATOM 703 O LYS A 45 6.047 0.813 0.096 1.00 0.00 O ATOM 704 CB LYS A 45 7.704 3.397 -1.215 1.00 0.00 C ATOM 705 CG LYS A 45 8.167 4.348 -0.117 1.00 0.00 C ATOM 706 CD LYS A 45 8.865 3.605 1.018 1.00 0.00 C ATOM 707 CE LYS A 45 10.128 2.905 0.549 1.00 0.00 C ATOM 708 NZ LYS A 45 10.653 1.975 1.583 1.00 0.00 N ATOM 0 H LYS A 45 5.782 4.905 -1.241 1.00 0.00 H new ATOM 0 HA LYS A 45 6.039 2.240 -1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.376 2.539 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.798 3.902 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.847 5.088 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.309 4.892 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.114 4.309 1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.181 2.871 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.920 2.352 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.888 3.648 0.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.652 1.763 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.572 2.417 2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.103 1.093 1.568 1.00 0.00 H new ATOM 722 N LYS A 46 5.989 2.673 1.347 1.00 0.00 N ATOM 723 CA LYS A 46 5.868 1.940 2.595 1.00 0.00 C ATOM 724 C LYS A 46 4.525 1.244 2.682 1.00 0.00 C ATOM 725 O LYS A 46 4.373 0.244 3.362 1.00 0.00 O ATOM 726 CB LYS A 46 6.147 2.848 3.818 1.00 0.00 C ATOM 727 CG LYS A 46 5.318 4.135 3.907 1.00 0.00 C ATOM 728 CD LYS A 46 3.930 3.905 4.501 1.00 0.00 C ATOM 729 CE LYS A 46 3.994 3.265 5.893 1.00 0.00 C ATOM 730 NZ LYS A 46 4.847 4.034 6.835 1.00 0.00 N ATOM 0 H LYS A 46 5.976 3.688 1.446 1.00 0.00 H new ATOM 0 HA LYS A 46 6.633 1.164 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.975 2.266 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.203 3.120 3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.852 4.865 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.215 4.565 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.402 4.856 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.353 3.264 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.986 3.189 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.380 2.249 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.763 3.629 7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.838 3.986 6.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.538 5.027 6.852 1.00 0.00 H new ATOM 744 N LEU A 47 3.557 1.775 1.974 1.00 0.00 N ATOM 745 CA LEU A 47 2.234 1.197 1.905 1.00 0.00 C ATOM 746 C LEU A 47 2.265 -0.069 1.038 1.00 0.00 C ATOM 747 O LEU A 47 1.744 -1.118 1.424 1.00 0.00 O ATOM 748 CB LEU A 47 1.278 2.251 1.316 1.00 0.00 C ATOM 749 CG LEU A 47 -0.221 1.920 1.271 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.025 3.201 1.104 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.541 0.960 0.128 1.00 0.00 C ATOM 0 H LEU A 47 3.665 2.628 1.425 1.00 0.00 H new ATOM 0 HA LEU A 47 1.887 0.911 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.400 3.170 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.603 2.465 0.298 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.490 1.435 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.088 2.962 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.828 3.867 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.736 3.693 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.609 0.745 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.258 1.416 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.015 0.033 0.265 1.00 0.00 H new ATOM 763 N LYS A 48 2.900 0.039 -0.132 1.00 0.00 N ATOM 764 CA LYS A 48 3.001 -1.082 -1.079 1.00 0.00 C ATOM 765 C LYS A 48 3.669 -2.277 -0.423 1.00 0.00 C ATOM 766 O LYS A 48 3.186 -3.402 -0.507 1.00 0.00 O ATOM 767 CB LYS A 48 3.817 -0.683 -2.314 1.00 0.00 C ATOM 768 CG LYS A 48 3.433 0.649 -2.922 1.00 0.00 C ATOM 769 CD LYS A 48 4.557 1.197 -3.798 1.00 0.00 C ATOM 770 CE LYS A 48 4.773 0.360 -5.035 1.00 0.00 C ATOM 771 NZ LYS A 48 6.091 0.626 -5.658 1.00 0.00 N ATOM 0 H LYS A 48 3.355 0.895 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 48 1.988 -1.346 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.872 -0.652 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.706 -1.458 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.527 0.533 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.205 1.362 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.322 2.221 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.481 1.234 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.700 -0.696 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.982 0.567 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.289 -0.101 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.079 1.563 -6.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.831 0.602 -4.928 1.00 0.00 H new ATOM 785 N GLU A 49 4.774 -2.023 0.240 1.00 0.00 N ATOM 786 CA GLU A 49 5.522 -3.081 0.897 1.00 0.00 C ATOM 787 C GLU A 49 4.753 -3.607 2.102 1.00 0.00 C ATOM 788 O GLU A 49 4.773 -4.800 2.388 1.00 0.00 O ATOM 789 CB GLU A 49 6.924 -2.604 1.312 1.00 0.00 C ATOM 790 CG GLU A 49 6.938 -1.272 2.037 1.00 0.00 C ATOM 791 CD GLU A 49 8.262 -0.967 2.706 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.435 -1.348 3.883 1.00 0.00 O ATOM 793 OE2 GLU A 49 9.139 -0.333 2.066 1.00 0.00 O ATOM 0 H GLU A 49 5.179 -1.092 0.341 1.00 0.00 H new ATOM 0 HA GLU A 49 5.649 -3.894 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.377 -3.359 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.548 -2.527 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.706 -0.478 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.149 -1.268 2.789 1.00 0.00 H new ATOM 800 N SER A 50 4.033 -2.718 2.779 1.00 0.00 N ATOM 801 CA SER A 50 3.294 -3.077 3.974 1.00 0.00 C ATOM 802 C SER A 50 2.166 -4.052 3.657 1.00 0.00 C ATOM 803 O SER A 50 1.974 -5.039 4.361 1.00 0.00 O ATOM 804 CB SER A 50 2.732 -1.824 4.650 1.00 0.00 C ATOM 805 OG SER A 50 2.316 -2.089 5.986 1.00 0.00 O ATOM 0 H SER A 50 3.949 -1.737 2.514 1.00 0.00 H new ATOM 0 HA SER A 50 3.985 -3.570 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.490 -1.041 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.887 -1.447 4.074 1.00 0.00 H new ATOM 0 HG SER A 50 1.964 -1.267 6.388 1.00 0.00 H new ATOM 811 N TYR A 51 1.427 -3.804 2.588 1.00 0.00 N ATOM 812 CA TYR A 51 0.324 -4.681 2.259 1.00 0.00 C ATOM 813 C TYR A 51 0.838 -5.977 1.633 1.00 0.00 C ATOM 814 O TYR A 51 0.274 -7.052 1.850 1.00 0.00 O ATOM 815 CB TYR A 51 -0.718 -3.979 1.357 1.00 0.00 C ATOM 816 CG TYR A 51 -0.475 -4.100 -0.137 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.893 -5.225 -0.831 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.152 -3.090 -0.847 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.693 -5.346 -2.184 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.358 -3.204 -2.212 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.068 -4.335 -2.871 1.00 0.00 C ATOM 822 OH TYR A 51 0.135 -4.456 -4.220 1.00 0.00 O ATOM 0 H TYR A 51 1.568 -3.021 1.949 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.190 -4.937 3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.703 -4.389 1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.746 -2.921 1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.386 -6.023 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.485 -2.202 -0.330 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.026 -6.232 -2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.850 -2.411 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.305 -5.269 -4.545 1.00 0.00 H new ATOM 832 N CYS A 52 1.935 -5.883 0.874 1.00 0.00 N ATOM 833 CA CYS A 52 2.522 -7.057 0.239 1.00 0.00 C ATOM 834 C CYS A 52 2.987 -8.050 1.280 1.00 0.00 C ATOM 835 O CYS A 52 2.724 -9.257 1.180 1.00 0.00 O ATOM 836 CB CYS A 52 3.690 -6.666 -0.668 1.00 0.00 C ATOM 837 SG CYS A 52 3.204 -5.769 -2.158 1.00 0.00 S ATOM 0 H CYS A 52 2.428 -5.010 0.688 1.00 0.00 H new ATOM 0 HA CYS A 52 1.751 -7.523 -0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.387 -6.051 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.226 -7.569 -0.960 1.00 0.00 H new ATOM 0 HG CYS A 52 3.016 -4.516 -1.868 1.00 0.00 H new ATOM 843 N GLN A 53 3.647 -7.545 2.307 1.00 0.00 N ATOM 844 CA GLN A 53 4.157 -8.391 3.358 1.00 0.00 C ATOM 845 C GLN A 53 3.009 -8.972 4.182 1.00 0.00 C ATOM 846 O GLN A 53 3.098 -10.095 4.669 1.00 0.00 O ATOM 847 CB GLN A 53 5.143 -7.630 4.253 1.00 0.00 C ATOM 848 CG GLN A 53 4.531 -6.436 4.955 1.00 0.00 C ATOM 849 CD GLN A 53 5.523 -5.644 5.776 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.709 -5.577 5.460 1.00 0.00 O ATOM 851 NE2 GLN A 53 5.038 -5.033 6.829 1.00 0.00 N ATOM 0 H GLN A 53 3.840 -6.551 2.431 1.00 0.00 H new ATOM 0 HA GLN A 53 4.699 -9.216 2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.543 -8.314 5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.984 -7.292 3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.081 -5.779 4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.726 -6.780 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.047 -5.115 7.055 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.652 -4.475 7.423 1.00 0.00 H new ATOM 860 N ARG A 54 1.918 -8.196 4.348 1.00 0.00 N ATOM 861 CA ARG A 54 0.733 -8.668 5.077 1.00 0.00 C ATOM 862 C ARG A 54 0.171 -9.941 4.458 1.00 0.00 C ATOM 863 O ARG A 54 -0.253 -10.858 5.161 1.00 0.00 O ATOM 864 CB ARG A 54 -0.356 -7.585 5.080 1.00 0.00 C ATOM 865 CG ARG A 54 -0.103 -6.418 6.026 1.00 0.00 C ATOM 866 CD ARG A 54 -0.463 -6.763 7.462 1.00 0.00 C ATOM 867 NE ARG A 54 0.430 -7.763 8.045 1.00 0.00 N ATOM 868 CZ ARG A 54 0.073 -8.615 9.005 1.00 0.00 C ATOM 869 NH1 ARG A 54 -1.163 -8.593 9.491 1.00 0.00 N ATOM 870 NH2 ARG A 54 0.955 -9.483 9.482 1.00 0.00 N ATOM 0 H ARG A 54 1.838 -7.245 3.987 1.00 0.00 H new ATOM 0 HA ARG A 54 1.041 -8.884 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.462 -7.196 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.307 -8.048 5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.947 -6.130 5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.686 -5.556 5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.431 -5.857 8.067 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.488 -7.133 7.496 1.00 0.00 H new ATOM 0 HE ARG A 54 1.387 -7.811 7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.841 -7.923 9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.434 -9.246 10.226 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.906 -9.498 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.682 -10.136 10.217 1.00 0.00 H new ATOM 884 N GLN A 55 0.164 -9.994 3.136 1.00 0.00 N ATOM 885 CA GLN A 55 -0.349 -11.151 2.409 1.00 0.00 C ATOM 886 C GLN A 55 0.662 -12.284 2.408 1.00 0.00 C ATOM 887 O GLN A 55 0.316 -13.448 2.207 1.00 0.00 O ATOM 888 CB GLN A 55 -0.667 -10.758 0.976 1.00 0.00 C ATOM 889 CG GLN A 55 -1.827 -9.790 0.844 1.00 0.00 C ATOM 890 CD GLN A 55 -1.673 -8.858 -0.340 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.445 -8.445 -0.607 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.649 -8.486 -0.988 1.00 0.00 N flip ATOM 0 H GLN A 55 0.510 -9.244 2.537 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.255 -11.493 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.220 -10.310 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.892 -11.659 0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.755 -10.352 0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.910 -9.201 1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.580 -8.828 -0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.528 -7.835 -1.764 1.00 0.00 H new ATOM 901 N GLY A 56 1.916 -11.943 2.639 1.00 0.00 N ATOM 902 CA GLY A 56 2.965 -12.937 2.652 1.00 0.00 C ATOM 903 C GLY A 56 3.460 -13.261 1.261 1.00 0.00 C ATOM 904 O GLY A 56 3.913 -14.373 0.998 1.00 0.00 O ATOM 0 H GLY A 56 2.229 -10.989 2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.797 -12.577 3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.596 -13.847 3.126 1.00 0.00 H new ATOM 908 N VAL A 57 3.375 -12.291 0.362 1.00 0.00 N ATOM 909 CA VAL A 57 3.815 -12.478 -1.015 1.00 0.00 C ATOM 910 C VAL A 57 4.768 -11.359 -1.420 1.00 0.00 C ATOM 911 O VAL A 57 4.692 -10.250 -0.880 1.00 0.00 O ATOM 912 CB VAL A 57 2.617 -12.521 -2.010 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.689 -13.686 -1.695 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.849 -11.205 -1.998 1.00 0.00 C ATOM 0 H VAL A 57 3.004 -11.362 0.562 1.00 0.00 H new ATOM 0 HA VAL A 57 4.328 -13.439 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 57 3.021 -12.669 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.861 -13.694 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.241 -14.622 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.299 -13.577 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.018 -11.262 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.464 -11.018 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.515 -10.392 -2.288 1.00 0.00 H new ATOM 924 N PRO A 58 5.700 -11.637 -2.341 1.00 0.00 N ATOM 925 CA PRO A 58 6.650 -10.639 -2.809 1.00 0.00 C ATOM 926 C PRO A 58 5.984 -9.568 -3.676 1.00 0.00 C ATOM 927 O PRO A 58 4.970 -9.819 -4.342 1.00 0.00 O ATOM 928 CB PRO A 58 7.672 -11.441 -3.612 1.00 0.00 C ATOM 929 CG PRO A 58 6.986 -12.704 -3.996 1.00 0.00 C ATOM 930 CD PRO A 58 5.899 -12.949 -2.982 1.00 0.00 C ATOM 0 HA PRO A 58 7.100 -10.090 -1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.997 -10.889 -4.494 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.563 -11.645 -3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.566 -12.624 -4.998 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.691 -13.535 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.984 -13.303 -3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.195 -13.706 -2.256 1.00 0.00 H new ATOM 938 N MET A 59 6.568 -8.376 -3.688 1.00 0.00 N ATOM 939 CA MET A 59 6.008 -7.227 -4.411 1.00 0.00 C ATOM 940 C MET A 59 6.079 -7.422 -5.925 1.00 0.00 C ATOM 941 O MET A 59 5.494 -6.663 -6.689 1.00 0.00 O ATOM 942 CB MET A 59 6.751 -5.946 -4.019 1.00 0.00 C ATOM 943 CG MET A 59 6.778 -5.692 -2.519 1.00 0.00 C ATOM 944 SD MET A 59 7.729 -4.229 -2.072 1.00 0.00 S ATOM 945 CE MET A 59 6.654 -2.936 -2.677 1.00 0.00 C ATOM 0 H MET A 59 7.441 -8.173 -3.200 1.00 0.00 H new ATOM 0 HA MET A 59 4.958 -7.142 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.775 -6.003 -4.388 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.280 -5.097 -4.514 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.756 -5.580 -2.156 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.201 -6.562 -2.016 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.991 -1.973 -2.293 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.680 -2.921 -3.767 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.634 -3.124 -2.341 1.00 0.00 H new ATOM 955 N ASN A 60 6.792 -8.443 -6.351 1.00 0.00 N ATOM 956 CA ASN A 60 6.948 -8.750 -7.768 1.00 0.00 C ATOM 957 C ASN A 60 5.870 -9.715 -8.242 1.00 0.00 C ATOM 958 O ASN A 60 5.690 -9.927 -9.434 1.00 0.00 O ATOM 959 CB ASN A 60 8.331 -9.357 -8.025 1.00 0.00 C ATOM 960 CG ASN A 60 8.655 -10.466 -7.047 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.237 -10.220 -5.993 1.00 0.00 O ATOM 962 ND2 ASN A 60 8.272 -11.685 -7.371 1.00 0.00 N ATOM 0 H ASN A 60 7.282 -9.087 -5.730 1.00 0.00 H new ATOM 0 HA ASN A 60 6.848 -7.820 -8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.372 -9.747 -9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.089 -8.577 -7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.457 -12.463 -6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.791 -11.850 -8.255 1.00 0.00 H new ATOM 969 N SER A 61 5.152 -10.298 -7.307 1.00 0.00 N ATOM 970 CA SER A 61 4.118 -11.261 -7.633 1.00 0.00 C ATOM 971 C SER A 61 2.808 -10.583 -7.999 1.00 0.00 C ATOM 972 O SER A 61 1.968 -11.155 -8.704 1.00 0.00 O ATOM 973 CB SER A 61 3.890 -12.185 -6.449 1.00 0.00 C ATOM 974 OG SER A 61 5.024 -12.979 -6.199 1.00 0.00 O ATOM 0 H SER A 61 5.265 -10.122 -6.309 1.00 0.00 H new ATOM 0 HA SER A 61 4.457 -11.830 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.653 -11.595 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.030 -12.825 -6.644 1.00 0.00 H new ATOM 0 HG SER A 61 4.765 -13.761 -5.668 1.00 0.00 H new ATOM 980 N LEU A 62 2.619 -9.377 -7.539 1.00 0.00 N ATOM 981 CA LEU A 62 1.369 -8.690 -7.759 1.00 0.00 C ATOM 982 C LEU A 62 1.542 -7.334 -8.433 1.00 0.00 C ATOM 983 O LEU A 62 2.656 -6.841 -8.600 1.00 0.00 O ATOM 984 CB LEU A 62 0.591 -8.581 -6.446 1.00 0.00 C ATOM 985 CG LEU A 62 1.418 -8.247 -5.201 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.969 -6.830 -5.267 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.588 -8.449 -3.947 1.00 0.00 C ATOM 0 H LEU A 62 3.311 -8.847 -7.010 1.00 0.00 H new ATOM 0 HA LEU A 62 0.788 -9.288 -8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.176 -7.816 -6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.076 -9.526 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 62 2.269 -8.928 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.551 -6.624 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.607 -6.728 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.144 -6.121 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.189 -8.208 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.285 -7.797 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.263 -9.488 -3.889 1.00 0.00 H new ATOM 999 N ARG A 63 0.427 -6.739 -8.810 1.00 0.00 N ATOM 1000 CA ARG A 63 0.423 -5.472 -9.514 1.00 0.00 C ATOM 1001 C ARG A 63 -0.356 -4.424 -8.737 1.00 0.00 C ATOM 1002 O ARG A 63 -1.564 -4.536 -8.567 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.169 -5.640 -10.922 1.00 0.00 C ATOM 1004 CG ARG A 63 0.617 -6.597 -11.800 1.00 0.00 C ATOM 1005 CD ARG A 63 0.054 -6.679 -13.212 1.00 0.00 C ATOM 1006 NE ARG A 63 -1.166 -7.493 -13.294 1.00 0.00 N ATOM 1007 CZ ARG A 63 -2.241 -7.165 -14.020 1.00 0.00 C ATOM 1008 NH1 ARG A 63 -2.279 -6.009 -14.675 1.00 0.00 N ATOM 1009 NH2 ARG A 63 -3.283 -7.995 -14.087 1.00 0.00 N ATOM 0 H ARG A 63 -0.503 -7.121 -8.636 1.00 0.00 H new ATOM 0 HA ARG A 63 1.455 -5.133 -9.607 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.195 -5.998 -10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.212 -4.665 -11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.657 -6.275 -11.844 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.609 -7.590 -11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.162 -5.673 -13.571 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.810 -7.099 -13.876 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.196 -8.364 -12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.487 -5.368 -14.625 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.100 -5.763 -15.227 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.262 -8.882 -13.584 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.101 -7.743 -14.641 1.00 0.00 H new ATOM 1023 N PHE A 64 0.344 -3.412 -8.266 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.267 -2.331 -7.503 1.00 0.00 C ATOM 1025 C PHE A 64 -0.549 -1.112 -8.384 1.00 0.00 C ATOM 1026 O PHE A 64 0.373 -0.486 -8.929 1.00 0.00 O ATOM 1027 CB PHE A 64 0.625 -1.937 -6.303 1.00 0.00 C ATOM 1028 CG PHE A 64 2.118 -2.140 -6.525 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.771 -1.545 -7.597 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.862 -2.934 -5.657 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.123 -1.737 -7.801 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.215 -3.126 -5.857 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.846 -2.530 -6.931 1.00 0.00 C ATOM 0 H PHE A 64 1.350 -3.311 -8.398 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.222 -2.695 -7.123 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.446 -0.889 -6.064 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.319 -2.519 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.213 -0.923 -8.281 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.375 -3.406 -4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.615 -1.268 -8.640 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.780 -3.742 -5.173 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.903 -2.684 -7.091 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.815 -0.770 -8.535 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.194 0.383 -9.331 1.00 0.00 C ATOM 1045 C LEU A 65 -3.453 1.051 -8.751 1.00 0.00 C ATOM 1046 O LEU A 65 -4.136 0.489 -7.903 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.382 -0.011 -10.841 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.657 -0.786 -11.258 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -3.911 -1.957 -10.355 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -4.866 0.138 -11.331 1.00 0.00 C ATOM 0 H LEU A 65 -2.598 -1.273 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.386 1.113 -9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.347 0.907 -11.428 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.521 -0.611 -11.135 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.487 -1.183 -12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.813 -2.477 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.063 -2.641 -10.399 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.041 -1.606 -9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.745 -0.435 -11.626 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.038 0.589 -10.354 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.681 0.922 -12.065 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.746 2.246 -9.200 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.928 2.968 -8.777 1.00 0.00 C ATOM 1064 C PHE A 66 -5.424 3.817 -9.920 1.00 0.00 C ATOM 1065 O PHE A 66 -4.630 4.436 -10.606 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.632 3.849 -7.559 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.791 4.708 -7.152 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.888 4.155 -6.519 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.785 6.069 -7.410 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.957 4.939 -6.151 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.851 6.859 -7.042 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.940 6.293 -6.411 1.00 0.00 C ATOM 0 H PHE A 66 -3.170 2.751 -9.873 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.694 2.248 -8.490 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.348 3.214 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.776 4.487 -7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.906 3.095 -6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.935 6.515 -7.905 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.809 4.494 -5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.835 7.919 -7.247 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.778 6.910 -6.121 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.746 3.814 -10.141 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.417 4.585 -11.221 1.00 0.00 C ATOM 1084 C GLU A 67 -6.775 4.332 -12.594 1.00 0.00 C ATOM 1085 O GLU A 67 -6.855 5.161 -13.501 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.467 6.105 -10.915 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.126 6.811 -10.976 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.248 8.313 -11.079 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.566 8.956 -10.068 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.006 8.862 -12.180 1.00 0.00 O ATOM 0 H GLU A 67 -7.396 3.272 -9.572 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.444 4.221 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.145 6.582 -11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.892 6.247 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.550 6.560 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.566 6.439 -11.834 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.172 3.166 -12.754 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.519 2.834 -14.003 1.00 0.00 C ATOM 1099 C GLY A 68 -4.101 3.373 -14.082 1.00 0.00 C ATOM 1100 O GLY A 68 -3.553 3.549 -15.167 1.00 0.00 O ATOM 0 H GLY A 68 -6.122 2.440 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.499 1.751 -14.122 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.103 3.235 -14.832 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.499 3.632 -12.935 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.137 4.143 -12.884 1.00 0.00 C ATOM 1106 C GLN A 69 -1.323 3.281 -11.937 1.00 0.00 C ATOM 1107 O GLN A 69 -1.787 2.936 -10.861 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.118 5.614 -12.400 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.832 5.777 -10.904 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.984 7.193 -10.414 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.048 7.990 -10.475 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.143 7.502 -9.877 1.00 0.00 N ATOM 0 H GLN A 69 -3.932 3.497 -12.022 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.707 4.109 -13.885 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.363 6.161 -12.965 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.081 6.072 -12.627 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.506 5.132 -10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.818 5.436 -10.697 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.892 6.810 -9.847 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.294 8.434 -9.490 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.138 2.897 -12.329 1.00 0.00 N ATOM 1122 CA ARG A 70 0.705 2.100 -11.459 1.00 0.00 C ATOM 1123 C ARG A 70 1.171 2.910 -10.258 1.00 0.00 C ATOM 1124 O ARG A 70 1.382 4.125 -10.344 1.00 0.00 O ATOM 1125 CB ARG A 70 1.914 1.562 -12.212 1.00 0.00 C ATOM 1126 CG ARG A 70 2.812 2.644 -12.782 1.00 0.00 C ATOM 1127 CD ARG A 70 4.238 2.167 -12.845 1.00 0.00 C ATOM 1128 NE ARG A 70 5.137 3.159 -13.443 1.00 0.00 N ATOM 1129 CZ ARG A 70 6.471 3.044 -13.486 1.00 0.00 C ATOM 1130 NH1 ARG A 70 7.072 1.983 -12.956 1.00 0.00 N ATOM 1131 NH2 ARG A 70 7.203 3.996 -14.050 1.00 0.00 N ATOM 0 H ARG A 70 0.269 3.118 -13.238 1.00 0.00 H new ATOM 0 HA ARG A 70 0.107 1.260 -11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.499 0.934 -11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.569 0.923 -13.025 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.470 2.920 -13.780 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.749 3.540 -12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.583 1.929 -11.839 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.284 1.245 -13.424 1.00 0.00 H new ATOM 0 HE ARG A 70 4.718 3.993 -13.854 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.517 1.251 -12.513 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.088 1.901 -12.992 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.750 4.817 -14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.219 3.907 -14.082 1.00 0.00 H new ATOM 1145 N ILE A 71 1.331 2.253 -9.136 1.00 0.00 N ATOM 1146 CA ILE A 71 1.787 2.929 -7.951 1.00 0.00 C ATOM 1147 C ILE A 71 3.293 2.792 -7.821 1.00 0.00 C ATOM 1148 O ILE A 71 3.823 1.689 -7.693 1.00 0.00 O ATOM 1149 CB ILE A 71 1.123 2.380 -6.673 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.399 2.254 -6.848 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.447 3.281 -5.496 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.083 3.522 -7.321 1.00 0.00 C ATOM 0 H ILE A 71 1.153 1.255 -9.020 1.00 0.00 H new ATOM 0 HA ILE A 71 1.507 3.977 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 71 1.520 1.383 -6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.605 1.457 -7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.838 1.952 -5.897 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.975 2.888 -4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.527 3.318 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.072 4.286 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.154 3.343 -7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.912 4.319 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.676 3.816 -8.288 1.00 0.00 H new ATOM 1164 N ALA A 72 3.991 3.906 -7.860 1.00 0.00 N ATOM 1165 CA ALA A 72 5.421 3.891 -7.740 1.00 0.00 C ATOM 1166 C ALA A 72 5.808 4.150 -6.309 1.00 0.00 C ATOM 1167 O ALA A 72 5.015 4.677 -5.530 1.00 0.00 O ATOM 1168 CB ALA A 72 6.046 4.926 -8.658 1.00 0.00 C ATOM 0 H ALA A 72 3.584 4.834 -7.975 1.00 0.00 H new ATOM 0 HA ALA A 72 5.793 2.911 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.131 4.899 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.777 4.706 -9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.680 5.917 -8.391 1.00 0.00 H new ATOM 1174 N ASP A 73 7.021 3.796 -5.954 1.00 0.00 N ATOM 1175 CA ASP A 73 7.511 3.985 -4.593 1.00 0.00 C ATOM 1176 C ASP A 73 7.605 5.460 -4.259 1.00 0.00 C ATOM 1177 O ASP A 73 7.549 5.864 -3.099 1.00 0.00 O ATOM 1178 CB ASP A 73 8.880 3.321 -4.423 1.00 0.00 C ATOM 1179 CG ASP A 73 8.829 1.836 -4.686 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.095 1.127 -3.973 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.486 1.378 -5.641 1.00 0.00 O ATOM 0 H ASP A 73 7.697 3.372 -6.589 1.00 0.00 H new ATOM 0 HA ASP A 73 6.804 3.518 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.594 3.785 -5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.244 3.497 -3.411 1.00 0.00 H new ATOM 1186 N ASN A 74 7.709 6.271 -5.284 1.00 0.00 N ATOM 1187 CA ASN A 74 7.848 7.699 -5.117 1.00 0.00 C ATOM 1188 C ASN A 74 6.499 8.375 -5.262 1.00 0.00 C ATOM 1189 O ASN A 74 6.395 9.595 -5.237 1.00 0.00 O ATOM 1190 CB ASN A 74 8.816 8.255 -6.158 1.00 0.00 C ATOM 1191 CG ASN A 74 10.118 7.496 -6.185 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.082 7.859 -5.517 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.157 6.436 -6.965 1.00 0.00 N ATOM 0 H ASN A 74 7.700 5.961 -6.256 1.00 0.00 H new ATOM 0 HA ASN A 74 8.241 7.898 -4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.352 8.212 -7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.014 9.305 -5.944 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.011 5.882 -7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.333 6.169 -7.504 1.00 0.00 H new ATOM 1200 N HIS A 75 5.453 7.577 -5.413 1.00 0.00 N ATOM 1201 CA HIS A 75 4.103 8.125 -5.537 1.00 0.00 C ATOM 1202 C HIS A 75 3.543 8.395 -4.163 1.00 0.00 C ATOM 1203 O HIS A 75 3.880 7.705 -3.210 1.00 0.00 O ATOM 1204 CB HIS A 75 3.171 7.164 -6.294 1.00 0.00 C ATOM 1205 CG HIS A 75 3.098 7.404 -7.775 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.458 6.543 -8.652 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.576 8.416 -8.534 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.557 7.013 -9.878 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.227 8.146 -9.836 1.00 0.00 N ATOM 0 H HIS A 75 5.507 6.559 -5.453 1.00 0.00 H new ATOM 0 HA HIS A 75 4.164 9.053 -6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.506 6.141 -6.121 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.168 7.246 -5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.128 9.275 -8.183 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.157 6.548 -10.767 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.451 8.730 -10.641 1.00 0.00 H new ATOM 1218 N THR A 76 2.736 9.421 -4.037 1.00 0.00 N ATOM 1219 CA THR A 76 2.118 9.735 -2.751 1.00 0.00 C ATOM 1220 C THR A 76 0.601 9.696 -2.851 1.00 0.00 C ATOM 1221 O THR A 76 0.039 9.881 -3.937 1.00 0.00 O ATOM 1222 CB THR A 76 2.558 11.121 -2.232 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.081 12.144 -3.102 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.061 11.203 -2.154 1.00 0.00 C ATOM 0 H THR A 76 2.487 10.054 -4.797 1.00 0.00 H new ATOM 0 HA THR A 76 2.453 8.975 -2.045 1.00 0.00 H new ATOM 0 HB THR A 76 2.138 11.261 -1.236 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.842 12.627 -3.487 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.353 12.187 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.432 10.436 -1.474 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.486 11.045 -3.145 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.085 9.452 -1.719 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.544 9.398 -1.679 1.00 0.00 C ATOM 1234 C PRO A 77 -2.169 10.709 -2.140 1.00 0.00 C ATOM 1235 O PRO A 77 -3.152 10.723 -2.871 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.863 9.161 -0.197 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.618 8.600 0.388 1.00 0.00 C ATOM 1238 CD PRO A 77 0.514 9.194 -0.393 1.00 0.00 C ATOM 0 HA PRO A 77 -1.940 8.626 -2.340 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.146 10.090 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.698 8.470 -0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.536 8.852 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.611 7.512 0.318 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.882 10.111 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.359 8.509 -0.460 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.577 11.820 -1.735 1.00 0.00 N ATOM 1247 CA LYS A 78 -2.109 13.128 -2.078 1.00 0.00 C ATOM 1248 C LYS A 78 -1.950 13.426 -3.559 1.00 0.00 C ATOM 1249 O LYS A 78 -2.815 14.040 -4.173 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.447 14.222 -1.249 1.00 0.00 C ATOM 1251 CG LYS A 78 0.067 14.161 -1.250 1.00 0.00 C ATOM 1252 CD LYS A 78 0.680 15.518 -0.985 1.00 0.00 C ATOM 1253 CE LYS A 78 0.962 16.259 -2.287 1.00 0.00 C ATOM 1254 NZ LYS A 78 -0.270 16.791 -2.932 1.00 0.00 N ATOM 0 H LYS A 78 -0.729 11.842 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.174 13.112 -1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.762 15.194 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.803 14.151 -0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.404 13.455 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.416 13.785 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.006 16.110 -0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.607 15.398 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.647 17.084 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.467 15.586 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.495 16.222 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.062 16.744 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.114 17.780 -3.215 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.849 12.981 -4.143 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.595 13.232 -5.549 1.00 0.00 C ATOM 1270 C GLU A 79 -1.455 12.351 -6.427 1.00 0.00 C ATOM 1271 O GLU A 79 -1.896 12.765 -7.497 1.00 0.00 O ATOM 1272 CB GLU A 79 0.875 13.025 -5.880 1.00 0.00 C ATOM 1273 CG GLU A 79 1.785 14.143 -5.405 1.00 0.00 C ATOM 1274 CD GLU A 79 1.406 15.505 -5.950 1.00 0.00 C ATOM 1275 OE1 GLU A 79 0.473 16.127 -5.413 1.00 0.00 O ATOM 1276 OE2 GLU A 79 2.059 15.965 -6.907 1.00 0.00 O ATOM 0 H GLU A 79 -0.122 12.447 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.855 14.272 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.207 12.088 -5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.981 12.920 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.766 14.178 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.810 13.916 -5.698 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.703 11.127 -5.987 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.527 10.215 -6.767 1.00 0.00 C ATOM 1285 C LEU A 80 -4.010 10.511 -6.559 1.00 0.00 C ATOM 1286 O LEU A 80 -4.877 9.860 -7.137 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.217 8.747 -6.436 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.738 8.317 -6.541 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.626 6.831 -6.803 1.00 0.00 C ATOM 1290 CD2 LEU A 80 -0.009 9.097 -7.610 1.00 0.00 C ATOM 0 H LEU A 80 -1.352 10.746 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.286 10.375 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.560 8.546 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.805 8.115 -7.102 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.265 8.538 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.425 6.552 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.094 6.281 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.129 6.588 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.029 8.768 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.487 8.926 -8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.043 10.160 -7.372 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.295 11.500 -5.723 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.669 11.911 -5.482 1.00 0.00 C ATOM 1304 C GLY A 81 -6.413 10.961 -4.576 1.00 0.00 C ATOM 1305 O GLY A 81 -7.549 10.578 -4.855 1.00 0.00 O ATOM 0 H GLY A 81 -3.596 12.030 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.673 12.907 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.194 11.984 -6.434 1.00 0.00 H new ATOM 1309 N MET A 82 -5.782 10.568 -3.496 1.00 0.00 N ATOM 1310 CA MET A 82 -6.387 9.666 -2.535 1.00 0.00 C ATOM 1311 C MET A 82 -6.781 10.426 -1.273 1.00 0.00 C ATOM 1312 O MET A 82 -6.343 11.561 -1.052 1.00 0.00 O ATOM 1313 CB MET A 82 -5.396 8.556 -2.173 1.00 0.00 C ATOM 1314 CG MET A 82 -4.961 7.703 -3.352 1.00 0.00 C ATOM 1315 SD MET A 82 -3.592 6.603 -2.936 1.00 0.00 S ATOM 1316 CE MET A 82 -3.321 5.794 -4.507 1.00 0.00 C ATOM 0 H MET A 82 -4.835 10.862 -3.255 1.00 0.00 H new ATOM 0 HA MET A 82 -7.280 9.228 -2.980 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.513 9.006 -1.719 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.849 7.911 -1.420 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.807 7.110 -3.700 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.665 8.351 -4.177 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.307 5.396 -4.541 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.035 4.979 -4.625 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.455 6.513 -5.315 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.610 9.814 -0.455 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.030 10.400 0.811 1.00 0.00 C ATOM 1328 C GLU A 83 -8.107 9.306 1.869 1.00 0.00 C ATOM 1329 O GLU A 83 -7.598 8.205 1.669 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.396 11.085 0.669 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.537 10.131 0.339 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.891 10.792 0.432 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.436 10.891 1.554 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.420 11.224 -0.613 1.00 0.00 O ATOM 0 H GLU A 83 -8.015 8.897 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.301 11.153 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.628 11.605 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.332 11.842 -0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.397 9.738 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.504 9.281 1.021 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.734 9.593 3.001 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.886 8.588 4.026 1.00 0.00 C ATOM 1343 C GLU A 84 -9.919 7.566 3.594 1.00 0.00 C ATOM 1344 O GLU A 84 -10.919 7.909 2.958 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.273 9.198 5.369 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.639 9.846 5.383 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.149 10.060 6.777 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.703 9.102 7.359 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -11.000 11.178 7.303 1.00 0.00 O ATOM 0 H GLU A 84 -9.138 10.502 3.225 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.922 8.098 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.244 8.419 6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.527 9.943 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.591 10.804 4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.342 9.221 4.833 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.654 6.312 3.911 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.519 5.188 3.564 1.00 0.00 C ATOM 1358 C GLU A 85 -10.453 4.859 2.075 1.00 0.00 C ATOM 1359 O GLU A 85 -11.194 4.003 1.575 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.948 5.423 4.018 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.141 5.251 5.508 1.00 0.00 C ATOM 1362 CD GLU A 85 -11.601 3.928 6.012 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -11.921 2.880 5.415 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -10.850 3.935 7.002 1.00 0.00 O ATOM 0 H GLU A 85 -8.818 6.036 4.426 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.144 4.318 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.250 6.431 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.607 4.732 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.643 6.067 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.203 5.321 5.744 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.570 5.552 1.360 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.349 5.298 -0.063 1.00 0.00 C ATOM 1373 C ASP A 86 -8.867 3.874 -0.272 1.00 0.00 C ATOM 1374 O ASP A 86 -8.279 3.261 0.624 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.325 6.269 -0.628 1.00 0.00 C ATOM 1376 CG ASP A 86 -8.587 6.613 -2.072 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -8.497 5.727 -2.931 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.902 7.792 -2.349 1.00 0.00 O ATOM 0 H ASP A 86 -8.992 6.299 1.745 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.295 5.440 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.330 7.183 -0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.329 5.835 -0.537 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.093 3.346 -1.440 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.736 1.981 -1.727 1.00 0.00 C ATOM 1385 C VAL A 87 -7.859 1.889 -2.967 1.00 0.00 C ATOM 1386 O VAL A 87 -8.053 2.609 -3.943 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.005 1.099 -1.908 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -10.865 1.605 -3.056 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.627 -0.354 -2.119 1.00 0.00 C ATOM 0 H VAL A 87 -9.527 3.843 -2.218 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.169 1.607 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.593 1.168 -0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.745 0.970 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.179 2.629 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.289 1.580 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.531 -0.951 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.008 -0.443 -3.012 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.070 -0.714 -1.254 1.00 0.00 H new ATOM 1399 N ILE A 88 -6.890 1.000 -2.926 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.000 0.797 -4.042 1.00 0.00 C ATOM 1401 C ILE A 88 -6.284 -0.560 -4.673 1.00 0.00 C ATOM 1402 O ILE A 88 -6.748 -1.492 -3.999 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.507 0.896 -3.617 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.279 2.165 -2.796 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.587 0.885 -4.834 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.319 1.942 -1.303 1.00 0.00 C ATOM 0 H ILE A 88 -6.700 0.402 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.180 1.587 -4.771 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.269 0.026 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.312 2.591 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.037 2.901 -3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.550 0.955 -4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.730 -0.042 -5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.823 1.733 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.149 2.888 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.294 1.546 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.543 1.231 -1.020 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.006 -0.680 -5.947 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.313 -1.874 -6.687 1.00 0.00 C ATOM 1420 C GLU A 89 -5.063 -2.712 -6.920 1.00 0.00 C ATOM 1421 O GLU A 89 -4.015 -2.201 -7.315 1.00 0.00 O ATOM 1422 CB GLU A 89 -6.976 -1.484 -8.003 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.158 -2.616 -8.978 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.495 -2.547 -9.681 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -8.587 -1.864 -10.729 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -9.468 -3.160 -9.188 1.00 0.00 O ATOM 0 H GLU A 89 -5.559 0.051 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.002 -2.490 -6.110 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.952 -1.049 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.378 -0.706 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.358 -2.590 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.074 -3.566 -8.451 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.153 -3.994 -6.626 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.039 -4.889 -6.804 1.00 0.00 C ATOM 1435 C VAL A 90 -4.430 -6.096 -7.647 1.00 0.00 C ATOM 1436 O VAL A 90 -5.463 -6.729 -7.427 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.500 -5.370 -5.442 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.318 -6.314 -5.619 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.113 -4.181 -4.582 1.00 0.00 C ATOM 0 H VAL A 90 -5.996 -4.437 -6.260 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.258 -4.335 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.293 -5.923 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.960 -6.636 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.631 -7.184 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.516 -5.798 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.734 -4.534 -3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.340 -3.603 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.987 -3.551 -4.417 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.600 -6.407 -8.610 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.794 -7.555 -9.474 1.00 0.00 C ATOM 1451 C TYR A 91 -2.651 -8.538 -9.285 1.00 0.00 C ATOM 1452 O TYR A 91 -1.765 -8.319 -8.466 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.865 -7.128 -10.931 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.140 -6.429 -11.318 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.224 -7.148 -11.793 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.252 -5.054 -11.231 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.388 -6.514 -12.167 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.407 -4.413 -11.606 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.474 -5.147 -12.071 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.632 -4.510 -12.443 1.00 0.00 O ATOM 0 H TYR A 91 -2.761 -5.868 -8.822 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.736 -8.033 -9.206 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.025 -6.467 -11.143 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.744 -8.010 -11.561 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.156 -8.223 -11.871 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.418 -4.475 -10.862 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.227 -7.088 -12.533 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.478 -3.338 -11.536 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.612 -3.583 -12.126 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.662 -9.621 -10.028 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.615 -10.619 -9.931 1.00 0.00 C ATOM 1472 C GLN A 92 -0.754 -10.590 -11.194 1.00 0.00 C ATOM 1473 O GLN A 92 -1.249 -10.298 -12.282 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.231 -12.013 -9.764 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.273 -13.050 -9.195 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.092 -12.910 -7.694 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.803 -13.528 -6.918 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.145 -12.091 -7.281 1.00 0.00 N ATOM 0 H GLN A 92 -3.388 -9.836 -10.711 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.994 -10.396 -9.063 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.100 -11.939 -9.110 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.590 -12.359 -10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.647 -14.049 -9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.304 -12.953 -9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.429 -11.592 -7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.013 -11.957 -6.282 1.00 0.00 H new ATOM 1487 N GLU A 93 0.540 -10.849 -11.050 1.00 0.00 N ATOM 1488 CA GLU A 93 1.433 -10.941 -12.204 1.00 0.00 C ATOM 1489 C GLU A 93 2.394 -12.117 -12.038 1.00 0.00 C ATOM 1490 O GLU A 93 3.460 -12.168 -12.659 1.00 0.00 O ATOM 1491 CB GLU A 93 2.212 -9.635 -12.421 1.00 0.00 C ATOM 1492 CG GLU A 93 3.108 -9.226 -11.265 1.00 0.00 C ATOM 1493 CD GLU A 93 4.071 -8.123 -11.650 1.00 0.00 C ATOM 1494 OE1 GLU A 93 5.186 -8.439 -12.121 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.720 -6.931 -11.503 1.00 0.00 O ATOM 0 H GLU A 93 0.996 -10.999 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 93 0.819 -11.109 -13.089 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.824 -9.738 -13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.500 -8.832 -12.612 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.492 -8.893 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.671 -10.093 -10.919 1.00 0.00 H new