USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 559 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 Set 1.1: A 28 LYS NZ :NH3+ 139:sc= -0.0622 (180deg=-1.06) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0.959 USER MOD Set 2.2: A 95 GLN : amide:sc= 1.21 K(o=2.2,f=0.26!) USER MOD Single : A 24 HIS : no HD1:sc= -2.64! K(o=-2.6!,f=-2.1) USER MOD Single : A 26 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.82) USER MOD Single : A 38 GLN : amide:sc= -5.29! C(o=-5.3!,f=-3.6!) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= -0.944 (180deg=-1.56) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.834 K(o=-0.83,f=-1.9) USER MOD Single : A 45 THR OG1 : rot 30:sc= -0.628 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -132:sc= -0.0966 (180deg=-2.42!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -87:sc= 0.814 USER MOD Single : A 58 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1.2) USER MOD Single : A 61 SER OG : rot 131:sc= 0.155 USER MOD Single : A 62 MET CE :methyl -159:sc= -1.33 (180deg=-1.62) USER MOD Single : A 64 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.6!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.27) USER MOD Single : A 85 MET CE :methyl -172:sc= -6.2! (180deg=-6.36!) USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 6.851 7.891 12.692 1.00 0.00 N ATOM 308 CA HIS A 24 6.400 7.123 11.537 1.00 0.00 C ATOM 309 C HIS A 24 7.355 5.971 11.244 1.00 0.00 C ATOM 310 O HIS A 24 8.394 5.833 11.891 1.00 0.00 O ATOM 311 CB HIS A 24 6.282 8.028 10.310 1.00 0.00 C ATOM 312 CG HIS A 24 5.248 9.102 10.456 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.095 9.143 9.702 1.00 0.00 N ATOM 314 CD2 HIS A 24 5.199 10.178 11.275 1.00 0.00 C ATOM 315 CE1 HIS A 24 3.381 10.199 10.050 1.00 0.00 C ATOM 316 NE2 HIS A 24 4.029 10.844 11.003 1.00 0.00 N ATOM 0 HA HIS A 24 5.419 6.708 11.769 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.250 8.491 10.115 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.040 7.417 9.440 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.942 10.461 12.006 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.430 10.486 9.627 1.00 0.00 H new ATOM 0 HE2 HIS A 24 3.712 11.698 11.462 1.00 0.00 H new ATOM 325 N ILE A 25 6.997 5.146 10.266 1.00 0.00 N ATOM 326 CA ILE A 25 7.823 4.006 9.887 1.00 0.00 C ATOM 327 C ILE A 25 7.837 3.815 8.375 1.00 0.00 C ATOM 328 O ILE A 25 6.804 3.924 7.715 1.00 0.00 O ATOM 329 CB ILE A 25 7.329 2.707 10.552 1.00 0.00 C ATOM 330 CG1 ILE A 25 5.868 2.443 10.182 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.492 2.791 12.063 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.262 1.269 10.919 1.00 0.00 C ATOM 0 H ILE A 25 6.140 5.246 9.721 1.00 0.00 H new ATOM 0 HA ILE A 25 8.834 4.221 10.233 1.00 0.00 H new ATOM 0 HB ILE A 25 7.932 1.876 10.187 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.281 3.337 10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.800 2.263 9.109 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.139 1.866 12.519 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.544 2.938 12.308 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.910 3.629 12.446 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.225 1.140 10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.825 0.365 10.689 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.298 1.455 11.992 1.00 0.00 H new ATOM 344 N ASN A 26 9.015 3.528 7.831 1.00 0.00 N ATOM 345 CA ASN A 26 9.164 3.321 6.395 1.00 0.00 C ATOM 346 C ASN A 26 9.296 1.836 6.071 1.00 0.00 C ATOM 347 O ASN A 26 10.297 1.202 6.407 1.00 0.00 O ATOM 348 CB ASN A 26 10.387 4.078 5.873 1.00 0.00 C ATOM 349 CG ASN A 26 10.236 5.581 6.006 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.695 6.242 5.119 1.00 0.00 O ATOM 351 ND2 ASN A 26 10.714 6.128 7.117 1.00 0.00 N ATOM 0 H ASN A 26 9.880 3.433 8.363 1.00 0.00 H new ATOM 0 HA ASN A 26 8.270 3.705 5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.272 3.755 6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.549 3.823 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.641 7.135 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.155 5.541 7.826 1.00 0.00 H new ATOM 358 N LEU A 27 8.279 1.287 5.415 1.00 0.00 N ATOM 359 CA LEU A 27 8.281 -0.124 5.043 1.00 0.00 C ATOM 360 C LEU A 27 8.551 -0.294 3.552 1.00 0.00 C ATOM 361 O LEU A 27 7.908 0.341 2.716 1.00 0.00 O ATOM 362 CB LEU A 27 6.942 -0.769 5.408 1.00 0.00 C ATOM 363 CG LEU A 27 6.293 -0.282 6.704 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.996 -1.030 6.965 1.00 0.00 C ATOM 365 CD2 LEU A 27 7.251 -0.447 7.874 1.00 0.00 C ATOM 0 H LEU A 27 7.443 1.797 5.130 1.00 0.00 H new ATOM 0 HA LEU A 27 9.079 -0.619 5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.244 -0.597 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.089 -1.847 5.481 1.00 0.00 H new ATOM 0 HG LEU A 27 6.061 0.778 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.548 -0.670 7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.306 -0.861 6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.202 -2.097 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.773 -0.095 8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.514 -1.499 7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.154 0.135 7.690 1.00 0.00 H new ATOM 377 N LYS A 28 9.506 -1.158 3.224 1.00 0.00 N ATOM 378 CA LYS A 28 9.860 -1.416 1.833 1.00 0.00 C ATOM 379 C LYS A 28 9.052 -2.582 1.273 1.00 0.00 C ATOM 380 O LYS A 28 9.249 -3.732 1.666 1.00 0.00 O ATOM 381 CB LYS A 28 11.357 -1.715 1.714 1.00 0.00 C ATOM 382 CG LYS A 28 12.243 -0.542 2.094 1.00 0.00 C ATOM 383 CD LYS A 28 13.715 -0.914 2.037 1.00 0.00 C ATOM 384 CE LYS A 28 14.204 -1.464 3.368 1.00 0.00 C ATOM 385 NZ LYS A 28 13.952 -2.927 3.489 1.00 0.00 N ATOM 0 H LYS A 28 10.049 -1.692 3.903 1.00 0.00 H new ATOM 0 HA LYS A 28 9.626 -0.523 1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.601 -2.565 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.580 -2.011 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.051 0.293 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.991 -0.205 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.873 -1.657 1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.303 -0.037 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.272 -1.269 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.704 -0.941 4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.775 -3.386 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.110 -3.087 4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.795 -3.332 2.544 1.00 0.00 H new ATOM 399 N VAL A 29 8.143 -2.278 0.352 1.00 0.00 N ATOM 400 CA VAL A 29 7.307 -3.301 -0.264 1.00 0.00 C ATOM 401 C VAL A 29 7.949 -3.842 -1.536 1.00 0.00 C ATOM 402 O VAL A 29 8.348 -3.079 -2.415 1.00 0.00 O ATOM 403 CB VAL A 29 5.907 -2.754 -0.600 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.961 -3.891 -0.957 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.360 -1.939 0.562 1.00 0.00 C ATOM 0 H VAL A 29 7.967 -1.331 0.016 1.00 0.00 H new ATOM 0 HA VAL A 29 7.208 -4.109 0.461 1.00 0.00 H new ATOM 0 HB VAL A 29 5.991 -2.097 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.977 -3.485 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.348 -4.428 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.880 -4.575 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.370 -1.560 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.290 -2.570 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.027 -1.102 0.765 1.00 0.00 H new ATOM 415 N ALA A 30 8.044 -5.165 -1.629 1.00 0.00 N ATOM 416 CA ALA A 30 8.635 -5.809 -2.795 1.00 0.00 C ATOM 417 C ALA A 30 7.568 -6.491 -3.644 1.00 0.00 C ATOM 418 O ALA A 30 6.921 -7.440 -3.202 1.00 0.00 O ATOM 419 CB ALA A 30 9.692 -6.814 -2.364 1.00 0.00 C ATOM 0 H ALA A 30 7.719 -5.811 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 30 9.109 -5.039 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.125 -7.287 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.475 -6.301 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.234 -7.575 -1.732 1.00 0.00 H new ATOM 479 N VAL A 36 10.237 -2.020 -5.978 1.00 0.00 N ATOM 480 CA VAL A 36 10.332 -1.697 -4.559 1.00 0.00 C ATOM 481 C VAL A 36 9.649 -0.370 -4.251 1.00 0.00 C ATOM 482 O VAL A 36 10.099 0.689 -4.688 1.00 0.00 O ATOM 483 CB VAL A 36 11.800 -1.626 -4.097 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.880 -1.211 -2.636 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.493 -2.962 -4.319 1.00 0.00 C ATOM 0 HA VAL A 36 9.827 -2.497 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 36 12.315 -0.872 -4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.924 -1.166 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.422 -0.230 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.351 -1.939 -2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.529 -2.894 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.980 -3.737 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.467 -3.213 -5.379 1.00 0.00 H new ATOM 495 N VAL A 37 8.558 -0.434 -3.494 1.00 0.00 N ATOM 496 CA VAL A 37 7.813 0.763 -3.124 1.00 0.00 C ATOM 497 C VAL A 37 7.799 0.957 -1.612 1.00 0.00 C ATOM 498 O VAL A 37 7.389 0.068 -0.867 1.00 0.00 O ATOM 499 CB VAL A 37 6.361 0.701 -3.636 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.665 2.038 -3.432 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.330 0.291 -5.101 1.00 0.00 C ATOM 0 H VAL A 37 8.171 -1.303 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 37 8.320 1.608 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 37 5.823 -0.052 -3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.641 1.975 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.655 2.285 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.200 2.814 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.297 0.252 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.884 1.019 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.787 -0.692 -5.213 1.00 0.00 H new ATOM 511 N GLN A 38 8.249 2.126 -1.167 1.00 0.00 N ATOM 512 CA GLN A 38 8.289 2.436 0.258 1.00 0.00 C ATOM 513 C GLN A 38 7.055 3.228 0.676 1.00 0.00 C ATOM 514 O GLN A 38 6.350 3.789 -0.163 1.00 0.00 O ATOM 515 CB GLN A 38 9.555 3.226 0.594 1.00 0.00 C ATOM 516 CG GLN A 38 10.838 2.439 0.379 1.00 0.00 C ATOM 517 CD GLN A 38 11.386 2.591 -1.027 1.00 0.00 C ATOM 518 OE1 GLN A 38 11.471 3.699 -1.556 1.00 0.00 O ATOM 519 NE2 GLN A 38 11.763 1.474 -1.639 1.00 0.00 N ATOM 0 H GLN A 38 8.591 2.873 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 38 8.299 1.496 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.584 4.127 -0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.507 3.549 1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.589 2.772 1.096 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.651 1.384 0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.675 0.577 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.141 1.514 -2.586 1.00 0.00 H new ATOM 528 N PHE A 39 6.799 3.270 1.980 1.00 0.00 N ATOM 529 CA PHE A 39 5.649 3.993 2.510 1.00 0.00 C ATOM 530 C PHE A 39 5.912 4.460 3.939 1.00 0.00 C ATOM 531 O PHE A 39 6.397 3.698 4.775 1.00 0.00 O ATOM 532 CB PHE A 39 4.402 3.107 2.473 1.00 0.00 C ATOM 533 CG PHE A 39 3.977 2.728 1.083 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.550 1.641 0.442 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.004 3.457 0.419 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.161 1.291 -0.837 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.611 3.111 -0.861 1.00 0.00 C ATOM 538 CZ PHE A 39 3.190 2.026 -1.489 1.00 0.00 C ATOM 0 H PHE A 39 7.372 2.812 2.688 1.00 0.00 H new ATOM 0 HA PHE A 39 5.482 4.870 1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.594 2.200 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.581 3.628 2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.308 1.061 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.547 4.305 0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.616 0.443 -1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.853 3.688 -1.369 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.884 1.753 -2.488 1.00 0.00 H new ATOM 548 N LYS A 40 5.588 5.720 4.211 1.00 0.00 N ATOM 549 CA LYS A 40 5.788 6.292 5.538 1.00 0.00 C ATOM 550 C LYS A 40 4.452 6.533 6.233 1.00 0.00 C ATOM 551 O LYS A 40 3.661 7.373 5.803 1.00 0.00 O ATOM 552 CB LYS A 40 6.567 7.605 5.438 1.00 0.00 C ATOM 553 CG LYS A 40 6.710 8.330 6.765 1.00 0.00 C ATOM 554 CD LYS A 40 6.929 9.820 6.565 1.00 0.00 C ATOM 555 CE LYS A 40 5.609 10.569 6.466 1.00 0.00 C ATOM 556 NZ LYS A 40 4.838 10.178 5.253 1.00 0.00 N ATOM 0 H LYS A 40 5.186 6.364 3.530 1.00 0.00 H new ATOM 0 HA LYS A 40 6.363 5.580 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.560 7.399 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.066 8.262 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.815 8.170 7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.547 7.910 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.513 10.218 7.395 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.511 9.985 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.011 10.370 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.801 11.642 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.053 10.845 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.464 10.198 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.458 9.218 5.378 1.00 0.00 H new ATOM 570 N ILE A 41 4.207 5.792 7.309 1.00 0.00 N ATOM 571 CA ILE A 41 2.968 5.929 8.064 1.00 0.00 C ATOM 572 C ILE A 41 3.240 5.971 9.564 1.00 0.00 C ATOM 573 O ILE A 41 4.391 5.918 10.000 1.00 0.00 O ATOM 574 CB ILE A 41 1.995 4.774 7.763 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.483 3.482 8.422 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.847 4.584 6.260 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.466 2.363 8.384 1.00 0.00 C ATOM 0 H ILE A 41 4.850 5.091 7.677 1.00 0.00 H new ATOM 0 HA ILE A 41 2.511 6.869 7.753 1.00 0.00 H new ATOM 0 HB ILE A 41 1.018 5.025 8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.394 3.151 7.924 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.745 3.689 9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.156 3.764 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.460 5.500 5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.819 4.352 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.880 1.479 8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.562 2.675 8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.222 2.128 7.348 1.00 0.00 H new ATOM 589 N LYS A 42 2.174 6.065 10.351 1.00 0.00 N ATOM 590 CA LYS A 42 2.296 6.110 11.803 1.00 0.00 C ATOM 591 C LYS A 42 2.018 4.741 12.416 1.00 0.00 C ATOM 592 O LYS A 42 1.318 3.918 11.827 1.00 0.00 O ATOM 593 CB LYS A 42 1.330 7.146 12.384 1.00 0.00 C ATOM 594 CG LYS A 42 1.396 8.495 11.689 1.00 0.00 C ATOM 595 CD LYS A 42 0.286 9.420 12.162 1.00 0.00 C ATOM 596 CE LYS A 42 0.593 10.873 11.831 1.00 0.00 C ATOM 597 NZ LYS A 42 -0.252 11.811 12.620 1.00 0.00 N ATOM 0 H LYS A 42 1.215 6.112 10.007 1.00 0.00 H new ATOM 0 HA LYS A 42 3.319 6.397 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.313 6.761 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.549 7.281 13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.364 8.958 11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.319 8.354 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.655 9.130 11.694 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.154 9.311 13.238 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.645 11.077 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.431 11.045 10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.013 12.791 12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.255 11.634 12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.079 11.664 13.635 1.00 0.00 H new ATOM 611 N ARG A 43 2.570 4.506 13.602 1.00 0.00 N ATOM 612 CA ARG A 43 2.381 3.237 14.294 1.00 0.00 C ATOM 613 C ARG A 43 0.912 3.022 14.643 1.00 0.00 C ATOM 614 O ARG A 43 0.447 1.886 14.746 1.00 0.00 O ATOM 615 CB ARG A 43 3.230 3.194 15.566 1.00 0.00 C ATOM 616 CG ARG A 43 2.791 4.191 16.626 1.00 0.00 C ATOM 617 CD ARG A 43 3.936 4.554 17.558 1.00 0.00 C ATOM 618 NE ARG A 43 3.998 3.669 18.718 1.00 0.00 N ATOM 619 CZ ARG A 43 4.589 2.479 18.704 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.166 2.035 17.596 1.00 0.00 N ATOM 621 NH2 ARG A 43 4.605 1.731 19.800 1.00 0.00 N ATOM 0 H ARG A 43 3.151 5.178 14.103 1.00 0.00 H new ATOM 0 HA ARG A 43 2.699 2.437 13.626 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.189 2.189 15.986 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.270 3.389 15.305 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.413 5.093 16.144 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.969 3.770 17.205 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.878 4.503 17.012 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.818 5.584 17.894 1.00 0.00 H new ATOM 0 HE ARG A 43 3.564 3.981 19.587 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.157 2.607 16.752 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.619 1.121 17.588 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.163 2.069 20.655 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.059 0.818 19.788 1.00 0.00 H new ATOM 635 N HIS A 44 0.185 4.120 14.825 1.00 0.00 N ATOM 636 CA HIS A 44 -1.233 4.051 15.163 1.00 0.00 C ATOM 637 C HIS A 44 -2.096 4.419 13.960 1.00 0.00 C ATOM 638 O HIS A 44 -3.100 5.120 14.094 1.00 0.00 O ATOM 639 CB HIS A 44 -1.545 4.983 16.334 1.00 0.00 C ATOM 640 CG HIS A 44 -1.635 6.426 15.944 1.00 0.00 C ATOM 641 ND1 HIS A 44 -2.826 7.119 15.892 1.00 0.00 N ATOM 642 CD2 HIS A 44 -0.672 7.308 15.588 1.00 0.00 C ATOM 643 CE1 HIS A 44 -2.592 8.364 15.518 1.00 0.00 C ATOM 644 NE2 HIS A 44 -1.293 8.505 15.328 1.00 0.00 N ATOM 0 H HIS A 44 0.554 5.068 14.744 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.463 3.026 15.453 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.488 4.679 16.789 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.773 4.868 17.095 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.744 6.731 16.108 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.387 7.108 15.521 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.337 9.136 15.389 1.00 0.00 H new ATOM 653 N THR A 45 -1.699 3.943 12.784 1.00 0.00 N ATOM 654 CA THR A 45 -2.435 4.224 11.558 1.00 0.00 C ATOM 655 C THR A 45 -2.730 2.941 10.789 1.00 0.00 C ATOM 656 O THR A 45 -1.862 2.090 10.596 1.00 0.00 O ATOM 657 CB THR A 45 -1.657 5.189 10.644 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.680 6.511 11.195 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.251 5.206 9.244 1.00 0.00 C ATOM 0 H THR A 45 -0.871 3.361 12.655 1.00 0.00 H new ATOM 0 HA THR A 45 -3.374 4.693 11.853 1.00 0.00 H new ATOM 0 HB THR A 45 -0.626 4.841 10.579 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.734 6.457 12.172 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.685 5.895 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.204 4.204 8.817 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.290 5.531 9.294 1.00 0.00 H new ATOM 667 N PRO A 46 -3.985 2.797 10.337 1.00 0.00 N ATOM 668 CA PRO A 46 -4.424 1.621 9.580 1.00 0.00 C ATOM 669 C PRO A 46 -3.811 1.568 8.185 1.00 0.00 C ATOM 670 O PRO A 46 -3.982 2.489 7.385 1.00 0.00 O ATOM 671 CB PRO A 46 -5.941 1.802 9.491 1.00 0.00 C ATOM 672 CG PRO A 46 -6.155 3.271 9.615 1.00 0.00 C ATOM 673 CD PRO A 46 -5.072 3.772 10.530 1.00 0.00 C ATOM 0 HA PRO A 46 -4.120 0.691 10.060 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.330 1.424 8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.452 1.259 10.286 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.099 3.757 8.641 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.142 3.488 10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.758 4.782 10.266 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.405 3.803 11.568 1.00 0.00 H new ATOM 681 N LEU A 47 -3.097 0.485 7.898 1.00 0.00 N ATOM 682 CA LEU A 47 -2.459 0.312 6.598 1.00 0.00 C ATOM 683 C LEU A 47 -3.397 0.731 5.470 1.00 0.00 C ATOM 684 O LEU A 47 -2.953 1.068 4.373 1.00 0.00 O ATOM 685 CB LEU A 47 -2.033 -1.145 6.407 1.00 0.00 C ATOM 686 CG LEU A 47 -1.070 -1.706 7.454 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.858 -3.196 7.240 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.258 -0.964 7.408 1.00 0.00 C ATOM 0 H LEU A 47 -2.945 -0.286 8.548 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.576 0.950 6.567 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.929 -1.766 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.567 -1.241 5.426 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.511 -1.561 8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.170 -3.578 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.813 -3.715 7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.439 -3.365 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.931 -1.376 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.704 -1.077 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.091 0.094 7.611 1.00 0.00 H new ATOM 700 N SER A 48 -4.696 0.710 5.750 1.00 0.00 N ATOM 701 CA SER A 48 -5.697 1.087 4.759 1.00 0.00 C ATOM 702 C SER A 48 -5.173 2.194 3.850 1.00 0.00 C ATOM 703 O SER A 48 -5.193 2.071 2.626 1.00 0.00 O ATOM 704 CB SER A 48 -6.983 1.545 5.450 1.00 0.00 C ATOM 705 OG SER A 48 -8.073 1.555 4.545 1.00 0.00 O ATOM 0 H SER A 48 -5.080 0.436 6.654 1.00 0.00 H new ATOM 0 HA SER A 48 -5.914 0.211 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.206 0.882 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.841 2.543 5.864 1.00 0.00 H new ATOM 0 HG SER A 48 -8.883 1.850 5.012 1.00 0.00 H new ATOM 711 N LYS A 49 -4.702 3.277 4.460 1.00 0.00 N ATOM 712 CA LYS A 49 -4.170 4.408 3.708 1.00 0.00 C ATOM 713 C LYS A 49 -2.953 3.992 2.888 1.00 0.00 C ATOM 714 O LYS A 49 -2.827 4.355 1.718 1.00 0.00 O ATOM 715 CB LYS A 49 -3.793 5.546 4.659 1.00 0.00 C ATOM 716 CG LYS A 49 -4.986 6.344 5.156 1.00 0.00 C ATOM 717 CD LYS A 49 -5.584 5.730 6.411 1.00 0.00 C ATOM 718 CE LYS A 49 -6.438 6.734 7.170 1.00 0.00 C ATOM 719 NZ LYS A 49 -7.848 6.736 6.691 1.00 0.00 N ATOM 0 H LYS A 49 -4.678 3.395 5.473 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.945 4.755 3.024 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.262 5.131 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.102 6.219 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.679 7.369 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.745 6.390 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.190 4.865 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.784 5.369 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.416 6.499 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.014 7.732 7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.398 7.433 7.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.871 6.985 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.261 5.791 6.824 1.00 0.00 H new ATOM 733 N LEU A 50 -2.061 3.228 3.508 1.00 0.00 N ATOM 734 CA LEU A 50 -0.854 2.761 2.835 1.00 0.00 C ATOM 735 C LEU A 50 -1.203 1.957 1.587 1.00 0.00 C ATOM 736 O LEU A 50 -0.774 2.290 0.482 1.00 0.00 O ATOM 737 CB LEU A 50 -0.013 1.908 3.786 1.00 0.00 C ATOM 738 CG LEU A 50 0.827 0.808 3.136 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.716 1.388 2.047 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.665 0.088 4.183 1.00 0.00 C ATOM 0 H LEU A 50 -2.151 2.919 4.476 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.276 3.634 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.655 2.568 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.680 1.446 4.514 1.00 0.00 H new ATOM 0 HG LEU A 50 0.152 0.085 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.306 0.590 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.096 1.857 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.384 2.133 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.256 -0.692 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.331 0.801 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.009 -0.362 4.928 1.00 0.00 H new ATOM 752 N MET A 51 -1.986 0.899 1.771 1.00 0.00 N ATOM 753 CA MET A 51 -2.396 0.050 0.658 1.00 0.00 C ATOM 754 C MET A 51 -2.943 0.888 -0.493 1.00 0.00 C ATOM 755 O MET A 51 -2.345 0.952 -1.567 1.00 0.00 O ATOM 756 CB MET A 51 -3.452 -0.956 1.119 1.00 0.00 C ATOM 757 CG MET A 51 -2.992 -1.837 2.269 1.00 0.00 C ATOM 758 SD MET A 51 -4.357 -2.394 3.307 1.00 0.00 S ATOM 759 CE MET A 51 -3.738 -3.983 3.857 1.00 0.00 C ATOM 0 H MET A 51 -2.349 0.609 2.679 1.00 0.00 H new ATOM 0 HA MET A 51 -1.519 -0.491 0.304 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.349 -0.416 1.422 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.731 -1.589 0.277 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.467 -2.705 1.869 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.277 -1.286 2.880 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.511 -4.740 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.861 -4.255 3.270 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.465 -3.922 4.910 1.00 0.00 H new ATOM 769 N LYS A 52 -4.083 1.529 -0.262 1.00 0.00 N ATOM 770 CA LYS A 52 -4.711 2.365 -1.279 1.00 0.00 C ATOM 771 C LYS A 52 -3.660 3.072 -2.127 1.00 0.00 C ATOM 772 O LYS A 52 -3.649 2.946 -3.351 1.00 0.00 O ATOM 773 CB LYS A 52 -5.631 3.397 -0.623 1.00 0.00 C ATOM 774 CG LYS A 52 -6.871 2.790 0.012 1.00 0.00 C ATOM 775 CD LYS A 52 -7.935 3.843 0.275 1.00 0.00 C ATOM 776 CE LYS A 52 -8.871 3.997 -0.914 1.00 0.00 C ATOM 777 NZ LYS A 52 -9.735 5.203 -0.786 1.00 0.00 N ATOM 0 H LYS A 52 -4.592 1.486 0.621 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.303 1.720 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.071 3.938 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.937 4.127 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.276 2.018 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.600 2.303 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.510 3.568 1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.457 4.799 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.285 4.065 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.497 3.109 -1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.358 5.273 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.312 5.127 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.138 6.053 -0.729 1.00 0.00 H new ATOM 791 N ALA A 53 -2.776 3.815 -1.469 1.00 0.00 N ATOM 792 CA ALA A 53 -1.719 4.539 -2.163 1.00 0.00 C ATOM 793 C ALA A 53 -0.919 3.609 -3.068 1.00 0.00 C ATOM 794 O ALA A 53 -0.559 3.973 -4.188 1.00 0.00 O ATOM 795 CB ALA A 53 -0.800 5.222 -1.160 1.00 0.00 C ATOM 0 H ALA A 53 -2.771 3.931 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.185 5.300 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.015 5.759 -1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.376 5.925 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.350 4.472 -0.510 1.00 0.00 H new ATOM 801 N TYR A 54 -0.642 2.406 -2.576 1.00 0.00 N ATOM 802 CA TYR A 54 0.118 1.424 -3.339 1.00 0.00 C ATOM 803 C TYR A 54 -0.569 1.114 -4.665 1.00 0.00 C ATOM 804 O TYR A 54 0.088 0.816 -5.663 1.00 0.00 O ATOM 805 CB TYR A 54 0.290 0.139 -2.528 1.00 0.00 C ATOM 806 CG TYR A 54 1.178 -0.886 -3.198 1.00 0.00 C ATOM 807 CD1 TYR A 54 0.655 -1.804 -4.099 1.00 0.00 C ATOM 808 CD2 TYR A 54 2.540 -0.936 -2.928 1.00 0.00 C ATOM 809 CE1 TYR A 54 1.462 -2.742 -4.713 1.00 0.00 C ATOM 810 CE2 TYR A 54 3.356 -1.869 -3.538 1.00 0.00 C ATOM 811 CZ TYR A 54 2.812 -2.770 -4.430 1.00 0.00 C ATOM 812 OH TYR A 54 3.620 -3.703 -5.039 1.00 0.00 O ATOM 0 H TYR A 54 -0.933 2.088 -1.652 1.00 0.00 H new ATOM 0 HA TYR A 54 1.100 1.847 -3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.709 0.388 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.691 -0.303 -2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.401 -1.784 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.968 -0.233 -2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.039 -3.449 -5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.413 -1.893 -3.318 1.00 0.00 H new ATOM 0 HH TYR A 54 4.543 -3.587 -4.732 1.00 0.00 H new ATOM 822 N CYS A 55 -1.895 1.186 -4.668 1.00 0.00 N ATOM 823 CA CYS A 55 -2.674 0.914 -5.871 1.00 0.00 C ATOM 824 C CYS A 55 -2.606 2.088 -6.841 1.00 0.00 C ATOM 825 O CYS A 55 -2.209 1.930 -7.995 1.00 0.00 O ATOM 826 CB CYS A 55 -4.130 0.622 -5.505 1.00 0.00 C ATOM 827 SG CYS A 55 -4.355 -0.859 -4.494 1.00 0.00 S ATOM 0 H CYS A 55 -2.454 1.431 -3.851 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.247 0.038 -6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.538 1.480 -4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.709 0.514 -6.422 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.471 -1.898 -5.266 1.00 0.00 H new ATOM 833 N GLU A 56 -2.996 3.266 -6.364 1.00 0.00 N ATOM 834 CA GLU A 56 -2.981 4.467 -7.191 1.00 0.00 C ATOM 835 C GLU A 56 -1.593 4.706 -7.779 1.00 0.00 C ATOM 836 O GLU A 56 -1.454 5.021 -8.961 1.00 0.00 O ATOM 837 CB GLU A 56 -3.415 5.684 -6.370 1.00 0.00 C ATOM 838 CG GLU A 56 -2.264 6.394 -5.679 1.00 0.00 C ATOM 839 CD GLU A 56 -2.720 7.587 -4.862 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.880 7.582 -4.400 1.00 0.00 O ATOM 841 OE2 GLU A 56 -1.917 8.527 -4.685 1.00 0.00 O ATOM 0 H GLU A 56 -3.326 3.414 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.684 4.321 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.926 6.390 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.138 5.366 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.746 5.690 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.544 6.725 -6.428 1.00 0.00 H new ATOM 848 N ARG A 57 -0.569 4.554 -6.945 1.00 0.00 N ATOM 849 CA ARG A 57 0.807 4.754 -7.381 1.00 0.00 C ATOM 850 C ARG A 57 1.055 4.079 -8.726 1.00 0.00 C ATOM 851 O ARG A 57 1.590 4.692 -9.649 1.00 0.00 O ATOM 852 CB ARG A 57 1.780 4.205 -6.335 1.00 0.00 C ATOM 853 CG ARG A 57 3.225 4.169 -6.808 1.00 0.00 C ATOM 854 CD ARG A 57 4.162 3.715 -5.700 1.00 0.00 C ATOM 855 NE ARG A 57 4.589 4.827 -4.855 1.00 0.00 N ATOM 856 CZ ARG A 57 5.527 5.699 -5.206 1.00 0.00 C ATOM 857 NH1 ARG A 57 6.133 5.589 -6.380 1.00 0.00 N ATOM 858 NH2 ARG A 57 5.861 6.685 -4.382 1.00 0.00 N ATOM 0 H ARG A 57 -0.667 4.293 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 57 0.973 5.825 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.716 4.817 -5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.472 3.197 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.314 3.495 -7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.521 5.160 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.662 2.965 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.037 3.236 -6.139 1.00 0.00 H new ATOM 0 HE ARG A 57 4.142 4.940 -3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.879 4.833 -7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.853 6.260 -6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.397 6.773 -3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.582 7.354 -4.653 1.00 0.00 H new ATOM 872 N GLN A 58 0.663 2.813 -8.829 1.00 0.00 N ATOM 873 CA GLN A 58 0.844 2.055 -10.061 1.00 0.00 C ATOM 874 C GLN A 58 -0.443 2.029 -10.879 1.00 0.00 C ATOM 875 O GLN A 58 -0.457 1.566 -12.018 1.00 0.00 O ATOM 876 CB GLN A 58 1.290 0.626 -9.745 1.00 0.00 C ATOM 877 CG GLN A 58 2.576 0.555 -8.936 1.00 0.00 C ATOM 878 CD GLN A 58 3.802 0.904 -9.756 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.817 0.731 -10.976 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.839 1.399 -9.091 1.00 0.00 N ATOM 0 H GLN A 58 0.218 2.291 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 58 1.617 2.548 -10.650 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.496 0.120 -9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.428 0.082 -10.680 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.505 1.236 -8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.690 -0.450 -8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.783 1.526 -8.080 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.691 1.653 -9.591 1.00 0.00 H new ATOM 889 N GLY A 59 -1.524 2.530 -10.288 1.00 0.00 N ATOM 890 CA GLY A 59 -2.801 2.554 -10.976 1.00 0.00 C ATOM 891 C GLY A 59 -3.473 1.195 -11.000 1.00 0.00 C ATOM 892 O GLY A 59 -4.259 0.899 -11.901 1.00 0.00 O ATOM 0 H GLY A 59 -1.538 2.919 -9.345 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.459 3.273 -10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.653 2.901 -11.999 1.00 0.00 H new ATOM 896 N LEU A 60 -3.162 0.366 -10.010 1.00 0.00 N ATOM 897 CA LEU A 60 -3.740 -0.970 -9.921 1.00 0.00 C ATOM 898 C LEU A 60 -4.949 -0.980 -8.991 1.00 0.00 C ATOM 899 O LEU A 60 -5.350 0.059 -8.468 1.00 0.00 O ATOM 900 CB LEU A 60 -2.692 -1.969 -9.426 1.00 0.00 C ATOM 901 CG LEU A 60 -1.328 -1.908 -10.115 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.322 -2.783 -9.385 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.448 -2.331 -11.572 1.00 0.00 C ATOM 0 H LEU A 60 -2.513 0.595 -9.258 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.070 -1.263 -10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.544 -1.811 -8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.093 -2.975 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.972 -0.878 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.643 -2.727 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.215 -2.435 -8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.671 -3.816 -9.384 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.468 -2.282 -12.047 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.826 -3.352 -11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.136 -1.663 -12.089 1.00 0.00 H new ATOM 915 N SER A 61 -5.522 -2.162 -8.788 1.00 0.00 N ATOM 916 CA SER A 61 -6.686 -2.307 -7.921 1.00 0.00 C ATOM 917 C SER A 61 -6.285 -2.875 -6.563 1.00 0.00 C ATOM 918 O SER A 61 -5.127 -3.232 -6.345 1.00 0.00 O ATOM 919 CB SER A 61 -7.728 -3.215 -8.579 1.00 0.00 C ATOM 920 OG SER A 61 -9.035 -2.893 -8.138 1.00 0.00 O ATOM 0 H SER A 61 -5.200 -3.032 -9.211 1.00 0.00 H new ATOM 0 HA SER A 61 -7.120 -1.319 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.671 -3.114 -9.663 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.508 -4.256 -8.344 1.00 0.00 H new ATOM 0 HG SER A 61 -9.628 -2.801 -8.913 1.00 0.00 H new ATOM 926 N MET A 62 -7.251 -2.956 -5.654 1.00 0.00 N ATOM 927 CA MET A 62 -6.999 -3.482 -4.317 1.00 0.00 C ATOM 928 C MET A 62 -7.317 -4.972 -4.250 1.00 0.00 C ATOM 929 O MET A 62 -6.500 -5.770 -3.791 1.00 0.00 O ATOM 930 CB MET A 62 -7.833 -2.724 -3.282 1.00 0.00 C ATOM 931 CG MET A 62 -7.276 -2.811 -1.871 1.00 0.00 C ATOM 932 SD MET A 62 -7.924 -1.524 -0.787 1.00 0.00 S ATOM 933 CE MET A 62 -6.492 -1.189 0.235 1.00 0.00 C ATOM 0 H MET A 62 -8.215 -2.665 -5.818 1.00 0.00 H new ATOM 0 HA MET A 62 -5.941 -3.344 -4.093 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.896 -1.676 -3.575 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.849 -3.118 -3.288 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.514 -3.788 -1.451 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.189 -2.736 -1.908 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.811 -0.716 1.164 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.980 -2.124 0.462 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.813 -0.523 -0.297 1.00 0.00 H new ATOM 943 N ARG A 63 -8.508 -5.340 -4.711 1.00 0.00 N ATOM 944 CA ARG A 63 -8.934 -6.734 -4.701 1.00 0.00 C ATOM 945 C ARG A 63 -8.059 -7.576 -5.626 1.00 0.00 C ATOM 946 O ARG A 63 -8.176 -8.800 -5.660 1.00 0.00 O ATOM 947 CB ARG A 63 -10.399 -6.845 -5.127 1.00 0.00 C ATOM 948 CG ARG A 63 -10.618 -6.635 -6.616 1.00 0.00 C ATOM 949 CD ARG A 63 -10.869 -5.171 -6.941 1.00 0.00 C ATOM 950 NE ARG A 63 -11.936 -4.604 -6.121 1.00 0.00 N ATOM 951 CZ ARG A 63 -12.297 -3.326 -6.168 1.00 0.00 C ATOM 952 NH1 ARG A 63 -11.681 -2.489 -6.990 1.00 0.00 N ATOM 953 NH2 ARG A 63 -13.278 -2.885 -5.390 1.00 0.00 N ATOM 0 H ARG A 63 -9.195 -4.692 -5.096 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.829 -7.113 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.776 -7.829 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.986 -6.111 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.745 -6.987 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.467 -7.233 -6.948 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.952 -4.603 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.130 -5.073 -7.995 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.431 -5.222 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.927 -2.825 -7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.961 -1.509 -7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.754 -3.527 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.555 -1.904 -5.426 1.00 0.00 H new ATOM 967 N GLN A 64 -7.184 -6.910 -6.373 1.00 0.00 N ATOM 968 CA GLN A 64 -6.291 -7.597 -7.298 1.00 0.00 C ATOM 969 C GLN A 64 -4.963 -7.929 -6.627 1.00 0.00 C ATOM 970 O GLN A 64 -4.361 -8.968 -6.901 1.00 0.00 O ATOM 971 CB GLN A 64 -6.048 -6.736 -8.539 1.00 0.00 C ATOM 972 CG GLN A 64 -5.417 -7.498 -9.694 1.00 0.00 C ATOM 973 CD GLN A 64 -4.548 -6.616 -10.568 1.00 0.00 C ATOM 974 OE1 GLN A 64 -3.957 -5.644 -10.097 1.00 0.00 O ATOM 975 NE2 GLN A 64 -4.465 -6.952 -11.851 1.00 0.00 N ATOM 0 H GLN A 64 -7.075 -5.896 -6.356 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.768 -8.530 -7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.997 -6.313 -8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.402 -5.900 -8.270 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.816 -8.317 -9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.203 -7.945 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.972 -7.766 -12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.894 -6.396 -12.488 1.00 0.00 H new ATOM 984 N ILE A 65 -4.511 -7.042 -5.748 1.00 0.00 N ATOM 985 CA ILE A 65 -3.254 -7.242 -5.037 1.00 0.00 C ATOM 986 C ILE A 65 -3.501 -7.634 -3.584 1.00 0.00 C ATOM 987 O ILE A 65 -4.609 -7.485 -3.070 1.00 0.00 O ATOM 988 CB ILE A 65 -2.379 -5.975 -5.074 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.057 -4.838 -4.308 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.105 -5.563 -6.513 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.082 -3.860 -3.690 1.00 0.00 C ATOM 0 H ILE A 65 -4.997 -6.177 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.729 -8.051 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.426 -6.194 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.720 -4.299 -4.985 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.681 -5.262 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.486 -4.666 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.584 -6.369 -7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.049 -5.358 -7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.633 -3.081 -3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.435 -4.386 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.474 -3.408 -4.474 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.459 -8.134 -2.927 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.562 -8.547 -1.533 1.00 0.00 C ATOM 1005 C ARG A 66 -1.310 -8.151 -0.755 1.00 0.00 C ATOM 1006 O ARG A 66 -0.202 -8.165 -1.292 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.775 -10.059 -1.441 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.127 -10.516 -1.965 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.256 -10.087 -1.041 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.529 -10.699 -1.412 1.00 0.00 N ATOM 1011 CZ ARG A 66 -7.670 -10.469 -0.772 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -7.697 -9.644 0.266 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -8.788 -11.063 -1.170 1.00 0.00 N ATOM 0 H ARG A 66 -1.534 -8.263 -3.338 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.419 -8.039 -1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.988 -10.563 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.674 -10.369 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.292 -10.102 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.131 -11.601 -2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.008 -10.359 -0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.354 -9.002 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.543 -11.338 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.840 -9.184 0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.574 -9.469 0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.772 -11.697 -1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.663 -10.885 -0.677 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.495 -7.797 0.512 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.381 -7.395 1.364 1.00 0.00 C ATOM 1029 C PHE A 67 -0.045 -8.491 2.372 1.00 0.00 C ATOM 1030 O PHE A 67 -0.880 -9.339 2.685 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.716 -6.096 2.099 1.00 0.00 C ATOM 1032 CG PHE A 67 -0.836 -4.907 1.190 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.020 -4.647 0.519 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.235 -4.047 1.007 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.132 -3.554 -0.319 1.00 0.00 C ATOM 1036 CE2 PHE A 67 0.129 -2.952 0.171 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.057 -2.704 -0.492 1.00 0.00 C ATOM 0 H PHE A 67 -2.405 -7.780 0.972 1.00 0.00 H new ATOM 0 HA PHE A 67 0.489 -7.230 0.729 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.653 -6.226 2.640 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.057 -5.899 2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.865 -5.306 0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.164 -4.235 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.060 -3.364 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.972 -2.291 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.144 -1.848 -1.144 1.00 0.00 H new ATOM 1047 N ARG A 68 1.185 -8.466 2.875 1.00 0.00 N ATOM 1048 CA ARG A 68 1.634 -9.457 3.845 1.00 0.00 C ATOM 1049 C ARG A 68 2.893 -8.983 4.564 1.00 0.00 C ATOM 1050 O ARG A 68 3.719 -8.273 3.990 1.00 0.00 O ATOM 1051 CB ARG A 68 1.902 -10.795 3.153 1.00 0.00 C ATOM 1052 CG ARG A 68 0.645 -11.612 2.900 1.00 0.00 C ATOM 1053 CD ARG A 68 0.939 -13.104 2.914 1.00 0.00 C ATOM 1054 NE ARG A 68 -0.250 -13.899 2.620 1.00 0.00 N ATOM 1055 CZ ARG A 68 -0.397 -15.166 2.990 1.00 0.00 C ATOM 1056 NH1 ARG A 68 0.565 -15.779 3.666 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -1.509 -15.823 2.685 1.00 0.00 N ATOM 0 H ARG A 68 1.888 -7.770 2.627 1.00 0.00 H new ATOM 0 HA ARG A 68 0.843 -9.590 4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.402 -10.609 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.588 -11.380 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.101 -11.380 3.660 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.216 -11.333 1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.715 -13.327 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.332 -13.387 3.891 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.009 -13.457 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.421 -15.277 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.449 -16.752 3.949 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.252 -15.355 2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.621 -16.796 2.970 1.00 0.00 H new ATOM 1071 N PHE A 69 3.034 -9.380 5.825 1.00 0.00 N ATOM 1072 CA PHE A 69 4.192 -8.995 6.623 1.00 0.00 C ATOM 1073 C PHE A 69 4.732 -10.186 7.408 1.00 0.00 C ATOM 1074 O PHE A 69 4.076 -10.693 8.318 1.00 0.00 O ATOM 1075 CB PHE A 69 3.822 -7.863 7.583 1.00 0.00 C ATOM 1076 CG PHE A 69 5.003 -7.274 8.300 1.00 0.00 C ATOM 1077 CD1 PHE A 69 6.083 -6.776 7.590 1.00 0.00 C ATOM 1078 CD2 PHE A 69 5.034 -7.220 9.684 1.00 0.00 C ATOM 1079 CE1 PHE A 69 7.172 -6.233 8.246 1.00 0.00 C ATOM 1080 CE2 PHE A 69 6.119 -6.678 10.346 1.00 0.00 C ATOM 1081 CZ PHE A 69 7.190 -6.185 9.626 1.00 0.00 C ATOM 0 H PHE A 69 2.360 -9.968 6.316 1.00 0.00 H new ATOM 0 HA PHE A 69 4.970 -8.647 5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.316 -7.075 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.111 -8.239 8.319 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.074 -6.812 6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.200 -7.606 10.252 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.007 -5.847 7.680 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.130 -6.640 11.425 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.040 -5.763 10.142 1.00 0.00 H new ATOM 1091 N ASP A 70 5.932 -10.629 7.048 1.00 0.00 N ATOM 1092 CA ASP A 70 6.562 -11.761 7.718 1.00 0.00 C ATOM 1093 C ASP A 70 5.846 -13.063 7.373 1.00 0.00 C ATOM 1094 O ASP A 70 5.890 -14.028 8.136 1.00 0.00 O ATOM 1095 CB ASP A 70 6.561 -11.549 9.232 1.00 0.00 C ATOM 1096 CG ASP A 70 7.590 -12.411 9.938 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.762 -12.408 9.508 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.222 -13.088 10.921 1.00 0.00 O ATOM 0 H ASP A 70 6.488 -10.221 6.296 1.00 0.00 H new ATOM 0 HA ASP A 70 7.593 -11.831 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.760 -10.500 9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.570 -11.774 9.627 1.00 0.00 H new ATOM 1103 N GLY A 71 5.186 -13.083 6.219 1.00 0.00 N ATOM 1104 CA GLY A 71 4.469 -14.271 5.795 1.00 0.00 C ATOM 1105 C GLY A 71 3.110 -14.395 6.454 1.00 0.00 C ATOM 1106 O GLY A 71 2.652 -15.500 6.742 1.00 0.00 O ATOM 0 H GLY A 71 5.135 -12.298 5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.344 -14.249 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.064 -15.154 6.029 1.00 0.00 H new ATOM 1110 N GLN A 72 2.466 -13.258 6.695 1.00 0.00 N ATOM 1111 CA GLN A 72 1.152 -13.245 7.328 1.00 0.00 C ATOM 1112 C GLN A 72 0.215 -12.273 6.617 1.00 0.00 C ATOM 1113 O GLN A 72 0.600 -11.166 6.239 1.00 0.00 O ATOM 1114 CB GLN A 72 1.277 -12.864 8.804 1.00 0.00 C ATOM 1115 CG GLN A 72 2.101 -13.847 9.618 1.00 0.00 C ATOM 1116 CD GLN A 72 2.300 -13.396 11.052 1.00 0.00 C ATOM 1117 OE1 GLN A 72 1.348 -13.008 11.730 1.00 0.00 O ATOM 1118 NE2 GLN A 72 3.541 -13.444 11.521 1.00 0.00 N ATOM 0 H GLN A 72 2.832 -12.335 6.462 1.00 0.00 H new ATOM 0 HA GLN A 72 0.731 -14.248 7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.729 -11.875 8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.280 -12.792 9.238 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.609 -14.820 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.074 -13.979 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.300 -13.773 10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.736 -13.152 12.479 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.044 -12.694 6.430 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.062 -11.876 5.763 1.00 0.00 C ATOM 1129 C PRO A 73 -2.484 -10.676 6.606 1.00 0.00 C ATOM 1130 O PRO A 73 -3.035 -10.834 7.695 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.234 -12.843 5.585 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.057 -13.856 6.663 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.572 -14.001 6.855 1.00 0.00 C ATOM 0 HA PRO A 73 -1.696 -11.452 4.828 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.190 -12.328 5.679 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.218 -13.307 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.540 -13.533 7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.509 -14.807 6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.320 -14.218 7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.166 -14.814 6.252 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.222 -9.478 6.093 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.577 -8.253 6.798 1.00 0.00 C ATOM 1143 C ILE A 74 -3.780 -7.575 6.151 1.00 0.00 C ATOM 1144 O ILE A 74 -3.957 -7.631 4.935 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.399 -7.261 6.832 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.769 -7.138 5.443 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.362 -7.705 7.852 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.106 -5.914 5.283 1.00 0.00 C ATOM 0 H ILE A 74 -1.766 -9.330 5.193 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.830 -8.539 7.819 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.775 -6.282 7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.174 -8.029 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.561 -7.109 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.464 -6.994 7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.819 -7.747 8.841 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.013 -8.692 7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.519 -5.891 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.489 -5.017 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.919 -5.951 6.008 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.603 -6.932 6.973 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.789 -6.241 6.480 1.00 0.00 C ATOM 1162 C ASN A 75 -5.631 -4.729 6.612 1.00 0.00 C ATOM 1163 O ASN A 75 -4.795 -4.246 7.374 1.00 0.00 O ATOM 1164 CB ASN A 75 -7.030 -6.704 7.247 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.118 -8.215 7.344 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -6.757 -8.930 6.410 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -7.602 -8.707 8.479 1.00 0.00 N ATOM 0 H ASN A 75 -4.471 -6.875 7.983 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.910 -6.486 5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.014 -6.278 8.250 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.923 -6.321 6.753 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.686 -9.716 8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.889 -8.076 9.227 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.443 -3.988 5.864 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.393 -2.531 5.897 1.00 0.00 C ATOM 1176 C GLU A 76 -6.793 -2.004 7.272 1.00 0.00 C ATOM 1177 O GLU A 76 -6.210 -1.043 7.776 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.313 -1.942 4.825 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.720 -2.515 4.850 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.631 -1.869 3.824 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.343 -1.989 2.615 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.632 -1.243 4.231 1.00 0.00 O ATOM 0 H GLU A 76 -7.142 -4.372 5.229 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.367 -2.224 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.367 -0.862 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.874 -2.121 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.675 -3.588 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.146 -2.380 5.844 1.00 0.00 H new ATOM 1189 N THR A 77 -7.794 -2.639 7.874 1.00 0.00 N ATOM 1190 CA THR A 77 -8.274 -2.235 9.189 1.00 0.00 C ATOM 1191 C THR A 77 -7.201 -2.438 10.253 1.00 0.00 C ATOM 1192 O THR A 77 -7.273 -1.862 11.339 1.00 0.00 O ATOM 1193 CB THR A 77 -9.536 -3.020 9.592 1.00 0.00 C ATOM 1194 OG1 THR A 77 -9.249 -4.422 9.633 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.672 -2.759 8.614 1.00 0.00 C ATOM 0 H THR A 77 -8.288 -3.435 7.471 1.00 0.00 H new ATOM 0 HA THR A 77 -8.520 -1.175 9.123 1.00 0.00 H new ATOM 0 HB THR A 77 -9.845 -2.683 10.582 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.056 -4.914 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.552 -3.324 8.920 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.909 -1.695 8.607 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.370 -3.070 7.614 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.208 -3.260 9.935 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.118 -3.539 10.864 1.00 0.00 C ATOM 1205 C ASP A 78 -4.107 -2.397 10.873 1.00 0.00 C ATOM 1206 O ASP A 78 -4.095 -1.556 9.973 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.423 -4.849 10.490 1.00 0.00 C ATOM 1208 CG ASP A 78 -5.201 -6.068 10.947 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -6.379 -6.202 10.554 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.631 -6.888 11.696 1.00 0.00 O ATOM 0 H ASP A 78 -6.135 -3.745 9.041 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.541 -3.634 11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.290 -4.891 9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.428 -4.869 10.935 1.00 0.00 H new ATOM 1215 N THR A 79 -3.260 -2.371 11.897 1.00 0.00 N ATOM 1216 CA THR A 79 -2.247 -1.331 12.025 1.00 0.00 C ATOM 1217 C THR A 79 -0.845 -1.930 12.053 1.00 0.00 C ATOM 1218 O THR A 79 -0.656 -3.116 12.323 1.00 0.00 O ATOM 1219 CB THR A 79 -2.460 -0.493 13.299 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.028 -1.307 14.332 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.372 0.692 13.021 1.00 0.00 C ATOM 0 H THR A 79 -3.256 -3.059 12.650 1.00 0.00 H new ATOM 0 HA THR A 79 -2.346 -0.684 11.153 1.00 0.00 H new ATOM 0 HB THR A 79 -1.491 -0.116 13.626 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.159 -0.767 15.139 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.508 1.269 13.936 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.923 1.325 12.256 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.340 0.332 12.672 1.00 0.00 H new ATOM 1229 N PRO A 80 0.163 -1.092 11.768 1.00 0.00 N ATOM 1230 CA PRO A 80 1.566 -1.517 11.756 1.00 0.00 C ATOM 1231 C PRO A 80 2.090 -1.829 13.154 1.00 0.00 C ATOM 1232 O PRO A 80 3.085 -2.535 13.310 1.00 0.00 O ATOM 1233 CB PRO A 80 2.298 -0.308 11.168 1.00 0.00 C ATOM 1234 CG PRO A 80 1.421 0.855 11.482 1.00 0.00 C ATOM 1235 CD PRO A 80 0.011 0.334 11.437 1.00 0.00 C ATOM 0 HA PRO A 80 1.708 -2.436 11.188 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.287 -0.190 11.612 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.442 -0.417 10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.654 1.266 12.464 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.564 1.658 10.759 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.630 0.847 12.154 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.437 0.472 10.453 1.00 0.00 H new ATOM 1243 N ALA A 81 1.413 -1.297 14.166 1.00 0.00 N ATOM 1244 CA ALA A 81 1.809 -1.521 15.551 1.00 0.00 C ATOM 1245 C ALA A 81 1.362 -2.897 16.034 1.00 0.00 C ATOM 1246 O ALA A 81 1.975 -3.478 16.929 1.00 0.00 O ATOM 1247 CB ALA A 81 1.235 -0.433 16.446 1.00 0.00 C ATOM 0 H ALA A 81 0.588 -0.708 14.053 1.00 0.00 H new ATOM 0 HA ALA A 81 2.897 -1.483 15.603 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.538 -0.613 17.477 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.608 0.539 16.122 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.147 -0.445 16.381 1.00 0.00 H new ATOM 1253 N GLN A 82 0.291 -3.410 15.437 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.237 -4.717 15.809 1.00 0.00 C ATOM 1255 C GLN A 82 0.653 -5.835 15.278 1.00 0.00 C ATOM 1256 O GLN A 82 0.747 -6.906 15.879 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.661 -4.885 15.275 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.459 -5.958 15.998 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.931 -5.512 17.367 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -3.477 -4.418 17.522 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -2.725 -6.357 18.370 1.00 0.00 N ATOM 0 H GLN A 82 -0.228 -2.941 14.694 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.254 -4.778 16.897 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.187 -3.934 15.360 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.616 -5.131 14.214 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.322 -6.233 15.392 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.845 -6.853 16.103 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.269 -7.253 18.197 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.023 -6.110 19.314 1.00 0.00 H new ATOM 1270 N LEU A 83 1.305 -5.580 14.149 1.00 0.00 N ATOM 1271 CA LEU A 83 2.189 -6.566 13.536 1.00 0.00 C ATOM 1272 C LEU A 83 3.602 -6.456 14.100 1.00 0.00 C ATOM 1273 O LEU A 83 4.536 -7.064 13.580 1.00 0.00 O ATOM 1274 CB LEU A 83 2.217 -6.381 12.018 1.00 0.00 C ATOM 1275 CG LEU A 83 0.857 -6.335 11.322 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.971 -5.644 9.972 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.293 -7.739 11.159 1.00 0.00 C ATOM 0 H LEU A 83 1.238 -4.699 13.639 1.00 0.00 H new ATOM 0 HA LEU A 83 1.802 -7.558 13.767 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.748 -5.456 11.795 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.798 -7.195 11.584 1.00 0.00 H new ATOM 0 HG LEU A 83 0.171 -5.760 11.944 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.007 -5.621 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.330 -4.625 10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.672 -6.191 9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.676 -7.687 10.662 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.977 -8.339 10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.173 -8.199 12.140 1.00 0.00 H new ATOM 1289 N GLU A 84 3.748 -5.678 15.168 1.00 0.00 N ATOM 1290 CA GLU A 84 5.047 -5.490 15.803 1.00 0.00 C ATOM 1291 C GLU A 84 6.045 -4.872 14.828 1.00 0.00 C ATOM 1292 O GLU A 84 7.170 -5.351 14.688 1.00 0.00 O ATOM 1293 CB GLU A 84 5.584 -6.826 16.322 1.00 0.00 C ATOM 1294 CG GLU A 84 4.810 -7.374 17.509 1.00 0.00 C ATOM 1295 CD GLU A 84 5.411 -6.960 18.838 1.00 0.00 C ATOM 1296 OE1 GLU A 84 5.244 -5.785 19.225 1.00 0.00 O ATOM 1297 OE2 GLU A 84 6.048 -7.813 19.491 1.00 0.00 O ATOM 0 H GLU A 84 2.984 -5.168 15.611 1.00 0.00 H new ATOM 0 HA GLU A 84 4.917 -4.808 16.643 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.558 -7.557 15.514 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.629 -6.702 16.606 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.778 -7.026 17.457 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.783 -8.462 17.450 1.00 0.00 H new ATOM 1304 N MET A 85 5.624 -3.806 14.156 1.00 0.00 N ATOM 1305 CA MET A 85 6.480 -3.122 13.194 1.00 0.00 C ATOM 1306 C MET A 85 7.265 -2.000 13.866 1.00 0.00 C ATOM 1307 O MET A 85 6.728 -1.266 14.695 1.00 0.00 O ATOM 1308 CB MET A 85 5.643 -2.557 12.045 1.00 0.00 C ATOM 1309 CG MET A 85 4.827 -3.610 11.313 1.00 0.00 C ATOM 1310 SD MET A 85 4.006 -2.957 9.846 1.00 0.00 S ATOM 1311 CE MET A 85 4.375 -4.239 8.652 1.00 0.00 C ATOM 0 H MET A 85 4.695 -3.397 14.260 1.00 0.00 H new ATOM 0 HA MET A 85 7.188 -3.848 12.795 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.969 -1.795 12.437 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.304 -2.062 11.334 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.480 -4.433 11.023 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.079 -4.020 11.991 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.058 -3.915 7.661 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.448 -4.432 8.645 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.844 -5.152 8.922 1.00 0.00 H new ATOM 1321 N GLU A 86 8.538 -1.874 13.504 1.00 0.00 N ATOM 1322 CA GLU A 86 9.395 -0.842 14.074 1.00 0.00 C ATOM 1323 C GLU A 86 9.911 0.098 12.988 1.00 0.00 C ATOM 1324 O GLU A 86 9.688 1.308 13.042 1.00 0.00 O ATOM 1325 CB GLU A 86 10.573 -1.478 14.815 1.00 0.00 C ATOM 1326 CG GLU A 86 10.941 -2.860 14.301 1.00 0.00 C ATOM 1327 CD GLU A 86 9.837 -3.876 14.520 1.00 0.00 C ATOM 1328 OE1 GLU A 86 9.446 -4.086 15.687 1.00 0.00 O ATOM 1329 OE2 GLU A 86 9.364 -4.461 13.523 1.00 0.00 O ATOM 0 H GLU A 86 8.998 -2.474 12.819 1.00 0.00 H new ATOM 0 HA GLU A 86 8.801 -0.262 14.780 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.441 -0.824 14.729 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.330 -1.547 15.875 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.168 -2.799 13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.848 -3.200 14.801 1.00 0.00 H new ATOM 1336 N ASP A 87 10.602 -0.467 12.004 1.00 0.00 N ATOM 1337 CA ASP A 87 11.150 0.319 10.905 1.00 0.00 C ATOM 1338 C ASP A 87 11.813 -0.583 9.869 1.00 0.00 C ATOM 1339 O ASP A 87 11.993 -1.779 10.099 1.00 0.00 O ATOM 1340 CB ASP A 87 12.160 1.339 11.433 1.00 0.00 C ATOM 1341 CG ASP A 87 13.053 0.763 12.515 1.00 0.00 C ATOM 1342 OD1 ASP A 87 12.660 0.818 13.699 1.00 0.00 O ATOM 1343 OD2 ASP A 87 14.144 0.258 12.178 1.00 0.00 O ATOM 0 H ASP A 87 10.796 -1.467 11.945 1.00 0.00 H new ATOM 0 HA ASP A 87 10.327 0.849 10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.777 1.695 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.626 2.203 11.828 1.00 0.00 H new ATOM 1348 N GLU A 88 12.173 -0.002 8.729 1.00 0.00 N ATOM 1349 CA GLU A 88 12.815 -0.755 7.658 1.00 0.00 C ATOM 1350 C GLU A 88 12.126 -2.101 7.451 1.00 0.00 C ATOM 1351 O GLU A 88 12.733 -3.052 6.959 1.00 0.00 O ATOM 1352 CB GLU A 88 14.296 -0.972 7.973 1.00 0.00 C ATOM 1353 CG GLU A 88 15.049 0.314 8.272 1.00 0.00 C ATOM 1354 CD GLU A 88 16.551 0.111 8.330 1.00 0.00 C ATOM 1355 OE1 GLU A 88 17.046 -0.349 9.380 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.230 0.411 7.326 1.00 0.00 O ATOM 0 H GLU A 88 12.031 0.987 8.523 1.00 0.00 H new ATOM 0 HA GLU A 88 12.728 -0.176 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.383 -1.641 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.769 -1.472 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.815 1.054 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.704 0.720 9.223 1.00 0.00 H new ATOM 1363 N ASP A 89 10.855 -2.172 7.830 1.00 0.00 N ATOM 1364 CA ASP A 89 10.082 -3.401 7.686 1.00 0.00 C ATOM 1365 C ASP A 89 9.730 -3.653 6.224 1.00 0.00 C ATOM 1366 O ASP A 89 9.144 -2.799 5.558 1.00 0.00 O ATOM 1367 CB ASP A 89 8.805 -3.326 8.525 1.00 0.00 C ATOM 1368 CG ASP A 89 8.966 -2.444 9.748 1.00 0.00 C ATOM 1369 OD1 ASP A 89 9.058 -1.210 9.581 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.999 -2.988 10.871 1.00 0.00 O ATOM 0 H ASP A 89 10.338 -1.394 8.239 1.00 0.00 H new ATOM 0 HA ASP A 89 10.694 -4.230 8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.991 -2.943 7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.521 -4.330 8.840 1.00 0.00 H new ATOM 1375 N THR A 90 10.092 -4.832 5.728 1.00 0.00 N ATOM 1376 CA THR A 90 9.817 -5.197 4.344 1.00 0.00 C ATOM 1377 C THR A 90 8.416 -5.778 4.196 1.00 0.00 C ATOM 1378 O THR A 90 8.037 -6.699 4.921 1.00 0.00 O ATOM 1379 CB THR A 90 10.843 -6.218 3.817 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.173 -5.752 4.070 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.656 -6.453 2.326 1.00 0.00 C ATOM 0 H THR A 90 10.577 -5.551 6.265 1.00 0.00 H new ATOM 0 HA THR A 90 9.891 -4.282 3.756 1.00 0.00 H new ATOM 0 HB THR A 90 10.685 -7.162 4.339 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.819 -6.408 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.392 -7.177 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.653 -6.837 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.789 -5.513 1.790 1.00 0.00 H new ATOM 1389 N ILE A 91 7.651 -5.236 3.255 1.00 0.00 N ATOM 1390 CA ILE A 91 6.292 -5.703 3.012 1.00 0.00 C ATOM 1391 C ILE A 91 6.237 -6.630 1.802 1.00 0.00 C ATOM 1392 O ILE A 91 6.973 -6.445 0.832 1.00 0.00 O ATOM 1393 CB ILE A 91 5.324 -4.526 2.787 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.588 -3.418 3.809 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.882 -5.002 2.874 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.531 -2.336 3.812 1.00 0.00 C ATOM 0 H ILE A 91 7.949 -4.473 2.648 1.00 0.00 H new ATOM 0 HA ILE A 91 5.983 -6.252 3.902 1.00 0.00 H new ATOM 0 HB ILE A 91 5.493 -4.122 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.648 -3.859 4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.558 -2.967 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.210 -4.159 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.702 -5.760 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.699 -5.429 3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.782 -1.584 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.486 -1.868 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.562 -2.775 4.050 1.00 0.00 H new ATOM 1408 N ASP A 92 5.360 -7.625 1.866 1.00 0.00 N ATOM 1409 CA ASP A 92 5.207 -8.580 0.774 1.00 0.00 C ATOM 1410 C ASP A 92 3.899 -8.343 0.025 1.00 0.00 C ATOM 1411 O ASP A 92 2.817 -8.398 0.610 1.00 0.00 O ATOM 1412 CB ASP A 92 5.249 -10.012 1.311 1.00 0.00 C ATOM 1413 CG ASP A 92 5.815 -10.992 0.302 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.052 -11.027 0.139 1.00 0.00 O ATOM 1415 OD2 ASP A 92 5.020 -11.724 -0.323 1.00 0.00 O ATOM 0 H ASP A 92 4.744 -7.792 2.662 1.00 0.00 H new ATOM 0 HA ASP A 92 6.034 -8.436 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.853 -10.039 2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.242 -10.322 1.589 1.00 0.00 H new ATOM 1420 N VAL A 93 4.007 -8.077 -1.273 1.00 0.00 N ATOM 1421 CA VAL A 93 2.834 -7.831 -2.103 1.00 0.00 C ATOM 1422 C VAL A 93 2.977 -8.496 -3.468 1.00 0.00 C ATOM 1423 O VAL A 93 4.080 -8.604 -4.005 1.00 0.00 O ATOM 1424 CB VAL A 93 2.593 -6.323 -2.301 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.418 -6.089 -3.239 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.361 -5.640 -0.962 1.00 0.00 C ATOM 0 H VAL A 93 4.895 -8.026 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 93 1.980 -8.262 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 93 3.483 -5.887 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.262 -5.018 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.629 -6.543 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.519 -6.538 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.192 -4.575 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.488 -6.077 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.236 -5.778 -0.327 1.00 0.00 H new ATOM 1436 N PHE A 94 1.855 -8.939 -4.024 1.00 0.00 N ATOM 1437 CA PHE A 94 1.855 -9.594 -5.327 1.00 0.00 C ATOM 1438 C PHE A 94 1.169 -8.722 -6.374 1.00 0.00 C ATOM 1439 O PHE A 94 -0.047 -8.537 -6.342 1.00 0.00 O ATOM 1440 CB PHE A 94 1.154 -10.951 -5.240 1.00 0.00 C ATOM 1441 CG PHE A 94 1.588 -11.775 -4.061 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.132 -11.479 -2.787 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.451 -12.846 -4.228 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.530 -12.235 -1.700 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.853 -13.606 -3.145 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.391 -13.300 -1.880 1.00 0.00 C ATOM 0 H PHE A 94 0.934 -8.857 -3.593 1.00 0.00 H new ATOM 0 HA PHE A 94 2.891 -9.747 -5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.077 -10.792 -5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.348 -11.510 -6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.458 -10.648 -2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.814 -13.090 -5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.168 -11.993 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.527 -14.438 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.703 -13.893 -1.033 1.00 0.00 H new ATOM 1456 N GLN A 95 1.959 -8.188 -7.301 1.00 0.00 N ATOM 1457 CA GLN A 95 1.428 -7.334 -8.357 1.00 0.00 C ATOM 1458 C GLN A 95 0.940 -8.167 -9.537 1.00 0.00 C ATOM 1459 O GLN A 95 1.741 -8.713 -10.296 1.00 0.00 O ATOM 1460 CB GLN A 95 2.495 -6.342 -8.824 1.00 0.00 C ATOM 1461 CG GLN A 95 2.720 -5.191 -7.856 1.00 0.00 C ATOM 1462 CD GLN A 95 3.391 -4.000 -8.512 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.555 -3.960 -9.732 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.783 -3.022 -7.704 1.00 0.00 N ATOM 0 H GLN A 95 2.968 -8.332 -7.342 1.00 0.00 H new ATOM 0 HA GLN A 95 0.581 -6.781 -7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.435 -6.874 -8.968 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.205 -5.939 -9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.762 -4.880 -7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.333 -5.536 -7.024 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.627 -3.097 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.240 -2.195 -8.088 1.00 0.00 H new