USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 581 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 51 TYR OH : rot -53:sc= 0.374 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= 0.384 F(o=-0.7,f=0.76) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 1.31 (180deg=1.11) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= -0.254 (180deg=-1.12) USER MOD Single : A 29 GLN : amide:sc= -3.51! C(o=-3.5!,f=-11!) 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= -1.08! C(o=-1.1!,f=-7.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 156:sc= -2.38! (180deg=-3.46!) USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000846 USER MOD Single : A 42 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 HIS :FLIP no HE2:sc= 0.072 F(o=-1.2,f=0.072) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0.0685 (180deg=0.0364) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= -5.05! (180deg=-6.65!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 48:sc= 0.254 USER MOD Single : A 53 GLN : amide:sc=-0.00655 K(o=-0.0065,f=-0.98) USER MOD Single : A 55 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.39) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.14) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -1.02 F(o=-1.7!,f=-1) USER MOD Single : A 74 ASN : amide:sc= 0.385 K(o=0.39,f=-5.6!) USER MOD Single : A 75 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-5.8!) USER MOD Single : A 76 THR OG1 : rot -144:sc= -4.17! USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 0.104 (180deg=0) USER MOD Single : A 82 MET CE :methyl -174:sc= -4.7! (180deg=-4.85!) USER MOD Single : A 91 TYR OH : rot 180:sc=-0.00423 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.149 7.733 7.051 1.00 0.00 N ATOM 312 CA ILE A 22 -10.361 7.606 5.631 1.00 0.00 C ATOM 313 C ILE A 22 -10.329 6.132 5.266 1.00 0.00 C ATOM 314 O ILE A 22 -9.599 5.362 5.853 1.00 0.00 O ATOM 315 CB ILE A 22 -9.272 8.401 4.825 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.936 7.720 3.493 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.009 8.583 5.656 1.00 0.00 C ATOM 318 CD1 ILE A 22 -8.001 8.528 2.617 1.00 0.00 C ATOM 0 HA ILE A 22 -11.331 8.030 5.370 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.691 9.382 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.483 6.749 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.861 7.533 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.269 9.136 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.248 9.137 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.605 7.606 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.808 7.984 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.460 9.489 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.061 8.693 3.144 1.00 0.00 H new ATOM 330 N LYS A 23 -11.151 5.727 4.348 1.00 0.00 N ATOM 331 CA LYS A 23 -11.149 4.350 3.917 1.00 0.00 C ATOM 332 C LYS A 23 -10.437 4.239 2.584 1.00 0.00 C ATOM 333 O LYS A 23 -10.446 5.171 1.806 1.00 0.00 O ATOM 334 CB LYS A 23 -12.578 3.816 3.825 1.00 0.00 C ATOM 335 CG LYS A 23 -13.509 4.687 3.007 1.00 0.00 C ATOM 336 CD LYS A 23 -14.909 4.121 2.994 1.00 0.00 C ATOM 337 CE LYS A 23 -15.823 4.938 2.110 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.183 6.251 2.714 1.00 0.00 N ATOM 0 H LYS A 23 -11.833 6.323 3.879 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.616 3.743 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.554 2.817 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.983 3.715 4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.525 5.696 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.135 4.766 1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.884 3.090 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.305 4.100 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.337 5.106 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.733 4.371 1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.972 6.672 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.467 6.111 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.361 6.888 2.676 1.00 0.00 H new ATOM 352 N LEU A 24 -9.789 3.128 2.339 1.00 0.00 N ATOM 353 CA LEU A 24 -9.072 2.922 1.076 1.00 0.00 C ATOM 354 C LEU A 24 -9.245 1.501 0.567 1.00 0.00 C ATOM 355 O LEU A 24 -9.556 0.585 1.335 1.00 0.00 O ATOM 356 CB LEU A 24 -7.575 3.212 1.247 1.00 0.00 C ATOM 357 CG LEU A 24 -7.181 4.675 1.456 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.691 4.784 1.717 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.567 5.507 0.243 1.00 0.00 C ATOM 0 H LEU A 24 -9.735 2.344 2.989 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.498 3.613 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.211 2.636 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.053 2.841 0.365 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.717 5.059 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.423 5.830 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.436 4.215 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.142 4.385 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.280 6.545 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.054 5.124 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.645 5.449 0.090 1.00 0.00 H new ATOM 371 N LYS A 25 -9.054 1.309 -0.731 1.00 0.00 N ATOM 372 CA LYS A 25 -9.104 -0.016 -1.304 1.00 0.00 C ATOM 373 C LYS A 25 -7.872 -0.290 -2.137 1.00 0.00 C ATOM 374 O LYS A 25 -7.437 0.537 -2.943 1.00 0.00 O ATOM 375 CB LYS A 25 -10.392 -0.258 -2.128 1.00 0.00 C ATOM 376 CG LYS A 25 -10.396 -1.594 -2.894 1.00 0.00 C ATOM 377 CD LYS A 25 -10.016 -1.442 -4.371 1.00 0.00 C ATOM 378 CE LYS A 25 -11.174 -0.908 -5.200 1.00 0.00 C ATOM 379 NZ LYS A 25 -10.858 -0.867 -6.653 1.00 0.00 N ATOM 0 H LYS A 25 -8.864 2.055 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.125 -0.719 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.251 -0.231 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.516 0.559 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.700 -2.283 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.387 -2.043 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.164 -0.768 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.701 -2.408 -4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.052 -1.534 -5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.430 0.095 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.370 -0.079 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.835 -0.732 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.147 -1.762 -7.097 1.00 0.00 H new ATOM 393 N VAL A 26 -7.304 -1.447 -1.932 1.00 0.00 N ATOM 394 CA VAL A 26 -6.164 -1.879 -2.685 1.00 0.00 C ATOM 395 C VAL A 26 -6.633 -2.856 -3.748 1.00 0.00 C ATOM 396 O VAL A 26 -7.368 -3.800 -3.450 1.00 0.00 O ATOM 397 CB VAL A 26 -5.102 -2.539 -1.774 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.942 -3.085 -2.593 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.600 -1.538 -0.747 1.00 0.00 C ATOM 0 H VAL A 26 -7.623 -2.118 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.693 -1.013 -3.151 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.570 -3.375 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.211 -3.543 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.312 -3.832 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.471 -2.271 -3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.853 -2.013 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.152 -0.686 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.434 -1.196 -0.134 1.00 0.00 H new ATOM 409 N ILE A 27 -6.249 -2.621 -4.980 1.00 0.00 N ATOM 410 CA ILE A 27 -6.674 -3.455 -6.080 1.00 0.00 C ATOM 411 C ILE A 27 -5.464 -3.950 -6.870 1.00 0.00 C ATOM 412 O ILE A 27 -4.434 -3.294 -6.911 1.00 0.00 O ATOM 413 CB ILE A 27 -7.654 -2.690 -7.021 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.199 -3.622 -8.115 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.972 -1.474 -7.636 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.135 -2.945 -9.093 1.00 0.00 C ATOM 0 H ILE A 27 -5.636 -1.851 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.202 -4.314 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.496 -2.341 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.360 -4.047 -8.666 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.723 -4.452 -7.642 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.674 -0.955 -8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.647 -0.800 -6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.107 -1.796 -8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.475 -3.670 -9.832 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.995 -2.544 -8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.610 -2.133 -9.596 1.00 0.00 H new ATOM 428 N GLY A 28 -5.585 -5.120 -7.464 1.00 0.00 N ATOM 429 CA GLY A 28 -4.508 -5.663 -8.256 1.00 0.00 C ATOM 430 C GLY A 28 -4.977 -6.054 -9.634 1.00 0.00 C ATOM 431 O GLY A 28 -6.185 -6.155 -9.881 1.00 0.00 O ATOM 0 H GLY A 28 -6.416 -5.709 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.709 -4.927 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.088 -6.534 -7.753 1.00 0.00 H new ATOM 435 N GLN A 29 -4.035 -6.306 -10.545 1.00 0.00 N ATOM 436 CA GLN A 29 -4.375 -6.692 -11.923 1.00 0.00 C ATOM 437 C GLN A 29 -5.105 -8.032 -11.955 1.00 0.00 C ATOM 438 O GLN A 29 -5.684 -8.416 -12.968 1.00 0.00 O ATOM 439 CB GLN A 29 -3.117 -6.778 -12.811 1.00 0.00 C ATOM 440 CG GLN A 29 -2.303 -8.066 -12.641 1.00 0.00 C ATOM 441 CD GLN A 29 -1.371 -8.037 -11.452 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.232 -7.627 -11.564 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.839 -8.500 -10.313 1.00 0.00 N ATOM 0 H GLN A 29 -3.034 -6.251 -10.358 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.032 -5.916 -12.316 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.418 -6.689 -13.855 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.474 -5.926 -12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.987 -8.908 -12.536 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.720 -8.240 -13.545 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.800 -8.836 -10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.241 -8.523 -9.487 1.00 0.00 H new ATOM 452 N ASP A 30 -5.082 -8.738 -10.835 1.00 0.00 N ATOM 453 CA ASP A 30 -5.702 -10.049 -10.738 1.00 0.00 C ATOM 454 C ASP A 30 -7.126 -9.919 -10.198 1.00 0.00 C ATOM 455 O ASP A 30 -7.717 -10.882 -9.717 1.00 0.00 O ATOM 456 CB ASP A 30 -4.856 -10.953 -9.829 1.00 0.00 C ATOM 457 CG ASP A 30 -5.260 -12.414 -9.899 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.362 -12.957 -11.020 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.452 -13.031 -8.834 1.00 0.00 O ATOM 0 H ASP A 30 -4.636 -8.421 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.754 -10.499 -11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.807 -10.859 -10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.944 -10.607 -8.799 1.00 0.00 H new ATOM 464 N SER A 31 -7.671 -8.696 -10.278 1.00 0.00 N ATOM 465 CA SER A 31 -9.039 -8.391 -9.831 1.00 0.00 C ATOM 466 C SER A 31 -9.161 -8.478 -8.312 1.00 0.00 C ATOM 467 O SER A 31 -10.261 -8.488 -7.759 1.00 0.00 O ATOM 468 CB SER A 31 -10.057 -9.318 -10.509 1.00 0.00 C ATOM 469 OG SER A 31 -9.931 -9.259 -11.919 1.00 0.00 O ATOM 0 H SER A 31 -7.175 -7.889 -10.655 1.00 0.00 H new ATOM 0 HA SER A 31 -9.260 -7.365 -10.126 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.906 -10.342 -10.169 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.067 -9.031 -10.217 1.00 0.00 H new ATOM 0 HG SER A 31 -10.588 -9.858 -12.331 1.00 0.00 H new ATOM 475 N SER A 32 -8.030 -8.523 -7.638 1.00 0.00 N ATOM 476 CA SER A 32 -8.002 -8.593 -6.198 1.00 0.00 C ATOM 477 C SER A 32 -8.299 -7.221 -5.601 1.00 0.00 C ATOM 478 O SER A 32 -7.688 -6.231 -5.982 1.00 0.00 O ATOM 479 CB SER A 32 -6.627 -9.076 -5.739 1.00 0.00 C ATOM 480 OG SER A 32 -6.242 -10.250 -6.441 1.00 0.00 O ATOM 0 H SER A 32 -7.108 -8.512 -8.075 1.00 0.00 H new ATOM 0 HA SER A 32 -8.763 -9.295 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.888 -8.291 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.647 -9.278 -4.668 1.00 0.00 H new ATOM 0 HG SER A 32 -5.358 -10.541 -6.133 1.00 0.00 H new ATOM 486 N GLU A 33 -9.248 -7.159 -4.688 1.00 0.00 N ATOM 487 CA GLU A 33 -9.576 -5.908 -4.042 1.00 0.00 C ATOM 488 C GLU A 33 -9.811 -6.090 -2.555 1.00 0.00 C ATOM 489 O GLU A 33 -10.473 -7.034 -2.120 1.00 0.00 O ATOM 490 CB GLU A 33 -10.778 -5.213 -4.699 1.00 0.00 C ATOM 491 CG GLU A 33 -12.110 -5.923 -4.531 1.00 0.00 C ATOM 492 CD GLU A 33 -13.269 -5.067 -4.995 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.792 -4.269 -4.182 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.652 -5.166 -6.173 1.00 0.00 O ATOM 0 H GLU A 33 -9.802 -7.958 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.710 -5.259 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.866 -4.208 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.575 -5.103 -5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.098 -6.855 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.251 -6.187 -3.483 1.00 0.00 H new ATOM 501 N ILE A 34 -9.244 -5.200 -1.774 1.00 0.00 N ATOM 502 CA ILE A 34 -9.400 -5.216 -0.336 1.00 0.00 C ATOM 503 C ILE A 34 -9.696 -3.816 0.173 1.00 0.00 C ATOM 504 O ILE A 34 -9.003 -2.859 -0.169 1.00 0.00 O ATOM 505 CB ILE A 34 -8.140 -5.771 0.369 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.870 -5.137 -0.217 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.091 -7.288 0.272 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.582 -5.671 0.370 1.00 0.00 C ATOM 0 H ILE A 34 -8.658 -4.440 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.236 -5.876 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.192 -5.506 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.860 -5.300 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.909 -4.059 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.197 -7.656 0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.975 -7.712 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.066 -7.585 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.734 -5.171 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.566 -5.484 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.516 -6.744 0.188 1.00 0.00 H new ATOM 520 N HIS A 35 -10.738 -3.684 0.966 1.00 0.00 N ATOM 521 CA HIS A 35 -11.135 -2.387 1.498 1.00 0.00 C ATOM 522 C HIS A 35 -10.788 -2.308 2.970 1.00 0.00 C ATOM 523 O HIS A 35 -11.235 -3.134 3.771 1.00 0.00 O ATOM 524 CB HIS A 35 -12.648 -2.154 1.321 1.00 0.00 C ATOM 525 CG HIS A 35 -13.142 -2.150 -0.097 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.048 -1.230 -0.576 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.887 -2.985 -1.130 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.330 -1.502 -1.833 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.636 -2.564 -2.194 1.00 0.00 N ATOM 0 H HIS A 35 -11.331 -4.460 1.261 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.596 -1.617 0.946 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.183 -2.928 1.871 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.907 -1.200 1.780 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.215 -3.830 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.013 -0.950 -2.461 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.655 -3.000 -3.116 1.00 0.00 H new ATOM 538 N PHE A 36 -10.004 -1.324 3.345 1.00 0.00 N ATOM 539 CA PHE A 36 -9.593 -1.176 4.729 1.00 0.00 C ATOM 540 C PHE A 36 -9.759 0.254 5.209 1.00 0.00 C ATOM 541 O PHE A 36 -9.691 1.208 4.427 1.00 0.00 O ATOM 542 CB PHE A 36 -8.143 -1.629 4.924 1.00 0.00 C ATOM 543 CG PHE A 36 -7.954 -3.120 4.876 1.00 0.00 C ATOM 544 CD1 PHE A 36 -8.264 -3.904 5.974 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.458 -3.734 3.740 1.00 0.00 C ATOM 546 CE1 PHE A 36 -8.086 -5.273 5.939 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.277 -5.102 3.699 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.592 -5.872 4.799 1.00 0.00 C ATOM 0 H PHE A 36 -9.636 -0.612 2.714 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.243 -1.815 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.523 -1.170 4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.784 -1.259 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.650 -3.439 6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.210 -3.136 2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.333 -5.873 6.802 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.889 -5.569 2.806 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.452 -6.942 4.768 1.00 0.00 H new ATOM 558 N LYS A 37 -9.991 0.399 6.496 1.00 0.00 N ATOM 559 CA LYS A 37 -10.132 1.703 7.113 1.00 0.00 C ATOM 560 C LYS A 37 -8.789 2.175 7.637 1.00 0.00 C ATOM 561 O LYS A 37 -8.065 1.423 8.304 1.00 0.00 O ATOM 562 CB LYS A 37 -11.148 1.661 8.251 1.00 0.00 C ATOM 563 CG LYS A 37 -11.244 2.968 9.015 1.00 0.00 C ATOM 564 CD LYS A 37 -12.156 2.854 10.214 1.00 0.00 C ATOM 565 CE LYS A 37 -12.042 4.085 11.090 1.00 0.00 C ATOM 566 NZ LYS A 37 -12.922 4.003 12.290 1.00 0.00 N ATOM 0 H LYS A 37 -10.087 -0.382 7.145 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.492 2.402 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.128 1.412 7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.877 0.863 8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.250 3.271 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.613 3.750 8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.187 2.731 9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.898 1.966 10.791 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.007 4.208 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.304 4.969 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.812 4.866 12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.913 3.911 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.656 3.175 12.860 1.00 0.00 H new ATOM 580 N VAL A 38 -8.447 3.414 7.345 1.00 0.00 N ATOM 581 CA VAL A 38 -7.178 3.977 7.741 1.00 0.00 C ATOM 582 C VAL A 38 -7.355 5.403 8.260 1.00 0.00 C ATOM 583 O VAL A 38 -8.457 5.947 8.250 1.00 0.00 O ATOM 584 CB VAL A 38 -6.181 3.965 6.551 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.891 2.542 6.130 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.713 4.770 5.370 1.00 0.00 C ATOM 0 H VAL A 38 -9.044 4.057 6.826 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.773 3.363 8.545 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.255 4.435 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.191 2.545 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.455 1.997 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.818 2.057 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.990 4.741 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.657 4.342 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.872 5.804 5.677 1.00 0.00 H new ATOM 622 N MET A 40 -5.075 9.370 8.598 1.00 0.00 N ATOM 623 CA MET A 40 -4.369 10.230 7.659 1.00 0.00 C ATOM 624 C MET A 40 -2.940 9.764 7.478 1.00 0.00 C ATOM 625 O MET A 40 -2.422 9.710 6.366 1.00 0.00 O ATOM 626 CB MET A 40 -4.371 11.692 8.119 1.00 0.00 C ATOM 627 CG MET A 40 -5.589 12.506 7.695 1.00 0.00 C ATOM 628 SD MET A 40 -5.477 13.175 6.007 1.00 0.00 S ATOM 629 CE MET A 40 -5.613 11.701 4.994 1.00 0.00 C ATOM 0 HA MET A 40 -4.897 10.166 6.707 1.00 0.00 H new ATOM 0 HB2 MET A 40 -4.300 11.714 9.206 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.476 12.179 7.732 1.00 0.00 H new ATOM 0 HG2 MET A 40 -6.477 11.878 7.768 1.00 0.00 H new ATOM 0 HG3 MET A 40 -5.724 13.331 8.394 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.981 11.972 4.004 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.634 11.232 4.901 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.307 11.002 5.460 1.00 0.00 H new ATOM 639 N THR A 41 -2.313 9.374 8.565 1.00 0.00 N ATOM 640 CA THR A 41 -0.916 9.033 8.554 1.00 0.00 C ATOM 641 C THR A 41 -0.686 7.516 8.660 1.00 0.00 C ATOM 642 O THR A 41 0.355 7.065 9.147 1.00 0.00 O ATOM 643 CB THR A 41 -0.207 9.752 9.709 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.876 9.446 10.945 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.238 11.258 9.490 1.00 0.00 C ATOM 0 H THR A 41 -2.760 9.286 9.478 1.00 0.00 H new ATOM 0 HA THR A 41 -0.502 9.356 7.599 1.00 0.00 H new ATOM 0 HB THR A 41 0.829 9.415 9.750 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.423 9.903 11.684 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.268 11.756 10.317 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.268 11.500 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.273 11.597 9.441 1.00 0.00 H new ATOM 653 N THR A 42 -1.645 6.725 8.182 1.00 0.00 N ATOM 654 CA THR A 42 -1.509 5.278 8.206 1.00 0.00 C ATOM 655 C THR A 42 -0.521 4.801 7.152 1.00 0.00 C ATOM 656 O THR A 42 -0.752 4.966 5.949 1.00 0.00 O ATOM 657 CB THR A 42 -2.858 4.574 7.955 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.803 4.965 8.944 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.694 3.058 7.987 1.00 0.00 C ATOM 0 H THR A 42 -2.518 7.063 7.777 1.00 0.00 H new ATOM 0 HA THR A 42 -1.145 5.021 9.201 1.00 0.00 H new ATOM 0 HB THR A 42 -3.215 4.869 6.968 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.528 4.306 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.659 2.584 7.807 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.990 2.752 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.316 2.753 8.963 1.00 0.00 H new ATOM 667 N HIS A 43 0.595 4.243 7.596 1.00 0.00 N ATOM 668 CA HIS A 43 1.559 3.653 6.682 1.00 0.00 C ATOM 669 C HIS A 43 0.925 2.462 5.957 1.00 0.00 C ATOM 670 O HIS A 43 0.671 1.411 6.541 1.00 0.00 O ATOM 671 CB HIS A 43 2.865 3.252 7.407 1.00 0.00 C ATOM 672 CG HIS A 43 2.682 2.580 8.748 1.00 0.00 C ATOM 673 ND1 HIS A 43 1.935 1.519 9.120 1.00 0.00 N flip ATOM 674 CD2 HIS A 43 3.330 2.999 9.886 1.00 0.00 C flip ATOM 675 CE1 HIS A 43 2.145 1.319 10.459 1.00 0.00 C flip ATOM 676 NE2 HIS A 43 2.993 2.225 10.896 1.00 0.00 N flip ATOM 0 H HIS A 43 0.854 4.187 8.581 1.00 0.00 H new ATOM 0 HA HIS A 43 1.835 4.403 5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.430 2.582 6.758 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.472 4.146 7.548 1.00 0.00 H new ATOM 0 HD1 HIS A 43 1.326 0.968 8.515 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.011 3.835 9.943 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.689 0.544 11.058 1.00 0.00 H new ATOM 685 N LEU A 44 0.651 2.646 4.686 1.00 0.00 N ATOM 686 CA LEU A 44 -0.044 1.640 3.890 1.00 0.00 C ATOM 687 C LEU A 44 0.803 0.409 3.611 1.00 0.00 C ATOM 688 O LEU A 44 0.282 -0.626 3.211 1.00 0.00 O ATOM 689 CB LEU A 44 -0.547 2.242 2.588 1.00 0.00 C ATOM 690 CG LEU A 44 -1.657 3.280 2.731 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.013 3.857 1.379 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.885 2.667 3.389 1.00 0.00 C ATOM 0 H LEU A 44 0.899 3.490 4.170 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.893 1.307 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.295 2.704 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.908 1.435 1.950 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.295 4.086 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.806 4.596 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.134 4.333 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.356 3.058 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.664 3.424 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.251 1.842 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.620 2.296 4.379 1.00 0.00 H new ATOM 704 N LYS A 45 2.101 0.511 3.809 1.00 0.00 N ATOM 705 CA LYS A 45 3.002 -0.620 3.593 1.00 0.00 C ATOM 706 C LYS A 45 2.544 -1.836 4.409 1.00 0.00 C ATOM 707 O LYS A 45 2.521 -2.966 3.912 1.00 0.00 O ATOM 708 CB LYS A 45 4.432 -0.212 3.970 1.00 0.00 C ATOM 709 CG LYS A 45 5.380 -1.365 4.310 1.00 0.00 C ATOM 710 CD LYS A 45 5.736 -2.208 3.098 1.00 0.00 C ATOM 711 CE LYS A 45 6.428 -1.384 2.032 1.00 0.00 C ATOM 712 NZ LYS A 45 7.107 -2.230 1.018 1.00 0.00 N ATOM 0 H LYS A 45 2.564 1.365 4.120 1.00 0.00 H new ATOM 0 HA LYS A 45 2.982 -0.901 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.859 0.354 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.385 0.461 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.293 -0.962 4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.917 -2.000 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.385 -3.029 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.831 -2.653 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.696 -0.745 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.159 -0.726 2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.664 -1.627 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.739 -2.904 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.395 -2.752 0.468 1.00 0.00 H new ATOM 726 N LYS A 46 2.148 -1.583 5.647 1.00 0.00 N ATOM 727 CA LYS A 46 1.659 -2.614 6.557 1.00 0.00 C ATOM 728 C LYS A 46 0.436 -3.335 5.975 1.00 0.00 C ATOM 729 O LYS A 46 0.271 -4.551 6.134 1.00 0.00 O ATOM 730 CB LYS A 46 1.301 -1.963 7.901 1.00 0.00 C ATOM 731 CG LYS A 46 0.517 -2.846 8.855 1.00 0.00 C ATOM 732 CD LYS A 46 1.315 -4.056 9.284 1.00 0.00 C ATOM 733 CE LYS A 46 0.538 -4.879 10.287 1.00 0.00 C ATOM 734 NZ LYS A 46 1.363 -5.957 10.883 1.00 0.00 N ATOM 0 H LYS A 46 2.156 -0.648 6.055 1.00 0.00 H new ATOM 0 HA LYS A 46 2.442 -3.358 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.222 -1.651 8.393 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.722 -1.060 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.232 -2.268 9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.406 -3.171 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.556 -4.666 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.261 -3.738 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.166 -4.228 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.333 -5.317 9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.791 -6.496 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.697 -6.594 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.180 -5.539 11.372 1.00 0.00 H new ATOM 748 N LEU A 47 -0.390 -2.595 5.266 1.00 0.00 N ATOM 749 CA LEU A 47 -1.605 -3.136 4.698 1.00 0.00 C ATOM 750 C LEU A 47 -1.243 -4.002 3.502 1.00 0.00 C ATOM 751 O LEU A 47 -1.705 -5.138 3.364 1.00 0.00 O ATOM 752 CB LEU A 47 -2.540 -1.973 4.266 1.00 0.00 C ATOM 753 CG LEU A 47 -3.995 -2.332 3.867 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.803 -1.066 3.641 1.00 0.00 C ATOM 755 CD2 LEU A 47 -4.045 -3.201 2.613 1.00 0.00 C ATOM 0 H LEU A 47 -0.239 -1.606 5.068 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.128 -3.744 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.584 -1.255 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.076 -1.465 3.421 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.426 -2.904 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.823 -1.330 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.819 -0.476 4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.348 -0.482 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.083 -3.429 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.586 -2.666 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.502 -4.129 2.792 1.00 0.00 H new ATOM 767 N LYS A 48 -0.391 -3.468 2.643 1.00 0.00 N ATOM 768 CA LYS A 48 0.006 -4.155 1.430 1.00 0.00 C ATOM 769 C LYS A 48 0.748 -5.435 1.738 1.00 0.00 C ATOM 770 O LYS A 48 0.442 -6.479 1.178 1.00 0.00 O ATOM 771 CB LYS A 48 0.846 -3.249 0.527 1.00 0.00 C ATOM 772 CG LYS A 48 0.037 -2.245 -0.294 1.00 0.00 C ATOM 773 CD LYS A 48 -0.736 -1.290 0.588 1.00 0.00 C ATOM 774 CE LYS A 48 -1.385 -0.187 -0.208 1.00 0.00 C ATOM 775 NZ LYS A 48 -0.390 0.616 -0.953 1.00 0.00 N ATOM 0 H LYS A 48 0.041 -2.552 2.767 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.906 -4.416 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.559 -2.703 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.425 -3.873 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.708 -1.680 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.655 -2.781 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.501 -1.841 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.064 -0.856 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.101 -0.618 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.947 0.463 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.752 1.582 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.500 0.650 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.218 0.181 -1.882 1.00 0.00 H new ATOM 789 N GLU A 49 1.734 -5.370 2.623 1.00 0.00 N ATOM 790 CA GLU A 49 2.467 -6.564 3.004 1.00 0.00 C ATOM 791 C GLU A 49 1.549 -7.603 3.637 1.00 0.00 C ATOM 792 O GLU A 49 1.749 -8.803 3.457 1.00 0.00 O ATOM 793 CB GLU A 49 3.631 -6.232 3.925 1.00 0.00 C ATOM 794 CG GLU A 49 4.812 -5.613 3.215 1.00 0.00 C ATOM 795 CD GLU A 49 6.043 -5.590 4.080 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.942 -5.184 5.254 1.00 0.00 O ATOM 797 OE2 GLU A 49 7.121 -5.987 3.592 1.00 0.00 O ATOM 0 H GLU A 49 2.040 -4.513 3.084 1.00 0.00 H new ATOM 0 HA GLU A 49 2.878 -6.996 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.285 -5.548 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.957 -7.143 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.020 -6.173 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.561 -4.596 2.914 1.00 0.00 H new ATOM 804 N SER A 50 0.529 -7.152 4.368 1.00 0.00 N ATOM 805 CA SER A 50 -0.444 -8.072 4.942 1.00 0.00 C ATOM 806 C SER A 50 -1.133 -8.848 3.814 1.00 0.00 C ATOM 807 O SER A 50 -1.311 -10.068 3.886 1.00 0.00 O ATOM 808 CB SER A 50 -1.475 -7.312 5.794 1.00 0.00 C ATOM 809 OG SER A 50 -2.329 -8.207 6.497 1.00 0.00 O ATOM 0 H SER A 50 0.359 -6.167 4.573 1.00 0.00 H new ATOM 0 HA SER A 50 0.070 -8.776 5.597 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.958 -6.667 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.073 -6.665 5.153 1.00 0.00 H new ATOM 0 HG SER A 50 -2.972 -7.695 7.030 1.00 0.00 H new ATOM 815 N TYR A 51 -1.489 -8.130 2.753 1.00 0.00 N ATOM 816 CA TYR A 51 -2.094 -8.724 1.568 1.00 0.00 C ATOM 817 C TYR A 51 -1.108 -9.658 0.874 1.00 0.00 C ATOM 818 O TYR A 51 -1.493 -10.699 0.349 1.00 0.00 O ATOM 819 CB TYR A 51 -2.579 -7.613 0.604 1.00 0.00 C ATOM 820 CG TYR A 51 -2.226 -7.843 -0.859 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.022 -8.633 -1.680 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.084 -7.275 -1.405 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.682 -8.846 -3.005 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.739 -7.485 -2.720 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.538 -8.269 -3.515 1.00 0.00 C ATOM 826 OH TYR A 51 -1.183 -8.484 -4.827 1.00 0.00 O ATOM 0 H TYR A 51 -1.366 -7.119 2.692 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.957 -9.315 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.661 -7.521 0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.151 -6.662 0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.917 -9.086 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.453 -6.655 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.309 -9.460 -3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.156 -7.036 -3.125 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.159 -9.447 -5.006 1.00 0.00 H new ATOM 836 N CYS A 52 0.168 -9.310 0.891 1.00 0.00 N ATOM 837 CA CYS A 52 1.171 -10.122 0.228 1.00 0.00 C ATOM 838 C CYS A 52 1.361 -11.435 0.970 1.00 0.00 C ATOM 839 O CYS A 52 1.338 -12.503 0.376 1.00 0.00 O ATOM 840 CB CYS A 52 2.501 -9.372 0.136 1.00 0.00 C ATOM 841 SG CYS A 52 2.378 -7.744 -0.633 1.00 0.00 S ATOM 0 H CYS A 52 0.531 -8.476 1.354 1.00 0.00 H new ATOM 0 HA CYS A 52 0.825 -10.335 -0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.911 -9.258 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.208 -9.977 -0.431 1.00 0.00 H new ATOM 0 HG CYS A 52 1.381 -7.092 -0.112 1.00 0.00 H new ATOM 847 N GLN A 53 1.506 -11.352 2.285 1.00 0.00 N ATOM 848 CA GLN A 53 1.714 -12.533 3.116 1.00 0.00 C ATOM 849 C GLN A 53 0.482 -13.429 3.117 1.00 0.00 C ATOM 850 O GLN A 53 0.593 -14.649 3.142 1.00 0.00 O ATOM 851 CB GLN A 53 2.065 -12.120 4.539 1.00 0.00 C ATOM 852 CG GLN A 53 3.334 -11.295 4.633 1.00 0.00 C ATOM 853 CD GLN A 53 3.566 -10.747 6.020 1.00 0.00 C ATOM 854 OE1 GLN A 53 2.620 -10.487 6.769 1.00 0.00 O ATOM 855 NE2 GLN A 53 4.815 -10.558 6.374 1.00 0.00 N ATOM 0 H GLN A 53 1.483 -10.474 2.803 1.00 0.00 H new ATOM 0 HA GLN A 53 2.544 -13.100 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.237 -11.548 4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.176 -13.015 5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.186 -11.910 4.342 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.280 -10.469 3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.569 -10.786 5.726 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.032 -10.183 7.298 1.00 0.00 H new ATOM 864 N ARG A 54 -0.692 -12.821 3.074 1.00 0.00 N ATOM 865 CA ARG A 54 -1.941 -13.573 3.054 1.00 0.00 C ATOM 866 C ARG A 54 -2.080 -14.338 1.741 1.00 0.00 C ATOM 867 O ARG A 54 -2.539 -15.477 1.709 1.00 0.00 O ATOM 868 CB ARG A 54 -3.128 -12.631 3.236 1.00 0.00 C ATOM 869 CG ARG A 54 -4.471 -13.325 3.180 1.00 0.00 C ATOM 870 CD ARG A 54 -5.607 -12.336 3.302 1.00 0.00 C ATOM 871 NE ARG A 54 -6.905 -12.988 3.202 1.00 0.00 N ATOM 872 CZ ARG A 54 -7.987 -12.608 3.877 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.915 -11.603 4.745 1.00 0.00 N ATOM 874 NH2 ARG A 54 -9.136 -13.238 3.696 1.00 0.00 N ATOM 0 H ARG A 54 -0.809 -11.808 3.052 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.927 -14.288 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.032 -12.122 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.093 -11.864 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.561 -13.871 2.241 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.537 -14.059 3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.535 -11.815 4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.518 -11.582 2.520 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.990 -13.787 2.574 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.029 -11.121 4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.746 -11.314 5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.193 -14.016 3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.965 -12.946 4.214 1.00 0.00 H new ATOM 888 N GLN A 55 -1.663 -13.706 0.658 1.00 0.00 N ATOM 889 CA GLN A 55 -1.723 -14.313 -0.671 1.00 0.00 C ATOM 890 C GLN A 55 -0.506 -15.210 -0.890 1.00 0.00 C ATOM 891 O GLN A 55 -0.448 -16.015 -1.820 1.00 0.00 O ATOM 892 CB GLN A 55 -1.791 -13.211 -1.736 1.00 0.00 C ATOM 893 CG GLN A 55 -3.203 -12.670 -2.015 1.00 0.00 C ATOM 894 CD GLN A 55 -4.110 -12.615 -0.792 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.803 -13.578 -0.475 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.121 -11.490 -0.111 1.00 0.00 N ATOM 0 H GLN A 55 -1.275 -12.763 0.668 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.618 -14.929 -0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.155 -12.383 -1.423 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.375 -13.598 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.118 -11.668 -2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.675 -13.294 -2.774 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.532 -10.711 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.719 -11.397 0.710 1.00 0.00 H new ATOM 905 N GLY A 56 0.458 -15.048 -0.015 1.00 0.00 N ATOM 906 CA GLY A 56 1.669 -15.837 -0.052 1.00 0.00 C ATOM 907 C GLY A 56 2.602 -15.413 -1.163 1.00 0.00 C ATOM 908 O GLY A 56 3.275 -16.242 -1.778 1.00 0.00 O ATOM 0 H GLY A 56 0.426 -14.366 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.185 -15.750 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.410 -16.888 -0.180 1.00 0.00 H new ATOM 912 N VAL A 57 2.648 -14.125 -1.437 1.00 0.00 N ATOM 913 CA VAL A 57 3.527 -13.605 -2.461 1.00 0.00 C ATOM 914 C VAL A 57 4.595 -12.711 -1.872 1.00 0.00 C ATOM 915 O VAL A 57 4.322 -11.887 -0.997 1.00 0.00 O ATOM 916 CB VAL A 57 2.779 -12.846 -3.580 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.183 -13.821 -4.574 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.705 -11.939 -3.002 1.00 0.00 C ATOM 0 H VAL A 57 2.085 -13.419 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 57 3.994 -14.480 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 57 3.499 -12.217 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.660 -13.270 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.979 -14.417 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.481 -14.479 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.195 -11.417 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.984 -12.538 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.165 -11.211 -2.334 1.00 0.00 H new ATOM 928 N PRO A 58 5.831 -12.885 -2.334 1.00 0.00 N ATOM 929 CA PRO A 58 6.973 -12.088 -1.892 1.00 0.00 C ATOM 930 C PRO A 58 6.782 -10.598 -2.165 1.00 0.00 C ATOM 931 O PRO A 58 6.465 -10.187 -3.286 1.00 0.00 O ATOM 932 CB PRO A 58 8.139 -12.627 -2.729 1.00 0.00 C ATOM 933 CG PRO A 58 7.493 -13.364 -3.860 1.00 0.00 C ATOM 934 CD PRO A 58 6.215 -13.895 -3.325 1.00 0.00 C ATOM 0 HA PRO A 58 7.126 -12.171 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.770 -11.817 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.776 -13.287 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.316 -12.701 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.133 -14.172 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.463 -14.001 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.344 -14.878 -2.871 1.00 0.00 H new ATOM 942 N MET A 59 7.004 -9.793 -1.142 1.00 0.00 N ATOM 943 CA MET A 59 6.860 -8.342 -1.226 1.00 0.00 C ATOM 944 C MET A 59 7.810 -7.735 -2.264 1.00 0.00 C ATOM 945 O MET A 59 7.547 -6.678 -2.828 1.00 0.00 O ATOM 946 CB MET A 59 7.108 -7.699 0.146 1.00 0.00 C ATOM 947 CG MET A 59 8.502 -7.948 0.716 1.00 0.00 C ATOM 948 SD MET A 59 8.764 -9.653 1.244 1.00 0.00 S ATOM 949 CE MET A 59 10.399 -9.530 1.969 1.00 0.00 C ATOM 0 H MET A 59 7.291 -10.125 -0.221 1.00 0.00 H new ATOM 0 HA MET A 59 5.838 -8.135 -1.544 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.949 -6.624 0.064 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.368 -8.078 0.851 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.246 -7.690 -0.037 1.00 0.00 H new ATOM 0 HG3 MET A 59 8.664 -7.283 1.565 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.705 -10.507 2.344 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.108 -9.193 1.213 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.379 -8.816 2.792 1.00 0.00 H new ATOM 959 N ASN A 60 8.917 -8.404 -2.506 1.00 0.00 N ATOM 960 CA ASN A 60 9.909 -7.927 -3.465 1.00 0.00 C ATOM 961 C ASN A 60 9.577 -8.340 -4.901 1.00 0.00 C ATOM 962 O ASN A 60 10.252 -7.933 -5.837 1.00 0.00 O ATOM 963 CB ASN A 60 11.306 -8.427 -3.086 1.00 0.00 C ATOM 964 CG ASN A 60 11.397 -9.940 -3.040 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.638 -10.588 -4.051 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.216 -10.510 -1.862 1.00 0.00 N ATOM 0 H ASN A 60 9.160 -9.285 -2.053 1.00 0.00 H new ATOM 0 HA ASN A 60 9.890 -6.838 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.031 -8.046 -3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.580 -8.021 -2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.275 -11.524 -1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.017 -9.936 -1.043 1.00 0.00 H new ATOM 973 N SER A 61 8.545 -9.145 -5.082 1.00 0.00 N ATOM 974 CA SER A 61 8.179 -9.597 -6.421 1.00 0.00 C ATOM 975 C SER A 61 6.912 -8.883 -6.914 1.00 0.00 C ATOM 976 O SER A 61 6.591 -8.886 -8.108 1.00 0.00 O ATOM 977 CB SER A 61 7.984 -11.112 -6.430 1.00 0.00 C ATOM 978 OG SER A 61 8.078 -11.638 -7.741 1.00 0.00 O ATOM 0 H SER A 61 7.950 -9.498 -4.332 1.00 0.00 H new ATOM 0 HA SER A 61 8.991 -9.346 -7.104 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.735 -11.581 -5.794 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.010 -11.357 -6.007 1.00 0.00 H new ATOM 0 HG SER A 61 7.950 -12.609 -7.714 1.00 0.00 H new ATOM 984 N LEU A 62 6.188 -8.277 -6.005 1.00 0.00 N ATOM 985 CA LEU A 62 5.002 -7.545 -6.363 1.00 0.00 C ATOM 986 C LEU A 62 5.247 -6.037 -6.147 1.00 0.00 C ATOM 987 O LEU A 62 6.258 -5.647 -5.556 1.00 0.00 O ATOM 988 CB LEU A 62 3.766 -8.121 -5.579 1.00 0.00 C ATOM 989 CG LEU A 62 3.345 -7.485 -4.240 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.523 -7.221 -3.342 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.522 -6.246 -4.470 1.00 0.00 C ATOM 0 H LEU A 62 6.402 -8.278 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 62 4.767 -7.667 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.906 -8.072 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.964 -9.176 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 62 2.718 -8.207 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.177 -6.773 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.033 -8.160 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.213 -6.539 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.237 -5.815 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.107 -5.520 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.625 -6.504 -5.033 1.00 0.00 H new ATOM 1003 N ARG A 63 4.363 -5.198 -6.640 1.00 0.00 N ATOM 1004 CA ARG A 63 4.530 -3.761 -6.503 1.00 0.00 C ATOM 1005 C ARG A 63 3.205 -3.054 -6.260 1.00 0.00 C ATOM 1006 O ARG A 63 2.208 -3.313 -6.937 1.00 0.00 O ATOM 1007 CB ARG A 63 5.204 -3.180 -7.740 1.00 0.00 C ATOM 1008 CG ARG A 63 4.539 -3.588 -9.038 1.00 0.00 C ATOM 1009 CD ARG A 63 5.069 -2.790 -10.201 1.00 0.00 C ATOM 1010 NE ARG A 63 6.522 -2.914 -10.351 1.00 0.00 N ATOM 1011 CZ ARG A 63 7.208 -2.500 -11.421 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.570 -1.979 -12.462 1.00 0.00 N ATOM 1013 NH2 ARG A 63 8.527 -2.615 -11.450 1.00 0.00 N ATOM 0 H ARG A 63 3.520 -5.482 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 63 5.164 -3.594 -5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.204 -2.092 -7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.246 -3.498 -7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.707 -4.650 -9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.461 -3.445 -8.957 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.583 -3.123 -11.118 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.809 -1.740 -10.066 1.00 0.00 H new ATOM 0 HE ARG A 63 7.044 -3.345 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.554 -1.894 -12.447 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.096 -1.664 -13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.021 -3.020 -10.655 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.049 -2.299 -12.267 1.00 0.00 H new ATOM 1027 N PHE A 64 3.193 -2.171 -5.278 1.00 0.00 N ATOM 1028 CA PHE A 64 2.023 -1.365 -4.961 1.00 0.00 C ATOM 1029 C PHE A 64 2.288 0.073 -5.323 1.00 0.00 C ATOM 1030 O PHE A 64 3.110 0.738 -4.692 1.00 0.00 O ATOM 1031 CB PHE A 64 1.674 -1.454 -3.468 1.00 0.00 C ATOM 1032 CG PHE A 64 2.651 -2.248 -2.652 1.00 0.00 C ATOM 1033 CD1 PHE A 64 3.759 -1.644 -2.077 1.00 0.00 C ATOM 1034 CD2 PHE A 64 2.457 -3.599 -2.459 1.00 0.00 C ATOM 1035 CE1 PHE A 64 4.653 -2.384 -1.326 1.00 0.00 C ATOM 1036 CE2 PHE A 64 3.341 -4.344 -1.714 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.444 -3.739 -1.145 1.00 0.00 C ATOM 0 H PHE A 64 3.996 -1.990 -4.675 1.00 0.00 H new ATOM 0 HA PHE A 64 1.181 -1.749 -5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.613 -0.445 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.685 -1.900 -3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.925 -0.586 -2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.597 -4.080 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.513 -1.905 -0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.173 -5.402 -1.574 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.141 -4.322 -0.561 1.00 0.00 H new ATOM 1047 N LEU A 65 1.619 0.557 -6.332 1.00 0.00 N ATOM 1048 CA LEU A 65 1.836 1.907 -6.777 1.00 0.00 C ATOM 1049 C LEU A 65 0.563 2.734 -6.821 1.00 0.00 C ATOM 1050 O LEU A 65 -0.550 2.211 -6.889 1.00 0.00 O ATOM 1051 CB LEU A 65 2.561 1.918 -8.137 1.00 0.00 C ATOM 1052 CG LEU A 65 2.065 0.910 -9.189 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.670 1.256 -9.669 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.028 0.850 -10.357 1.00 0.00 C ATOM 0 H LEU A 65 0.919 0.038 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 65 2.476 2.384 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.479 2.920 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.620 1.733 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 65 2.022 -0.072 -8.718 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.349 0.525 -10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.019 1.243 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.675 2.250 -10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.664 0.133 -11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.104 1.835 -10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.011 0.539 -10.003 1.00 0.00 H new ATOM 1066 N PHE A 66 0.742 4.030 -6.740 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.335 4.979 -6.851 1.00 0.00 C ATOM 1068 C PHE A 66 0.179 6.199 -7.563 1.00 0.00 C ATOM 1069 O PHE A 66 1.162 6.789 -7.145 1.00 0.00 O ATOM 1070 CB PHE A 66 -0.889 5.368 -5.480 1.00 0.00 C ATOM 1071 CG PHE A 66 -1.968 6.402 -5.566 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.234 6.050 -5.979 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.714 7.729 -5.248 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.232 6.990 -6.077 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.710 8.677 -5.342 1.00 0.00 C ATOM 1076 CZ PHE A 66 -3.973 8.307 -5.759 1.00 0.00 C ATOM 0 H PHE A 66 1.655 4.460 -6.593 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.151 4.523 -7.412 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.281 4.479 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.077 5.746 -4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.445 5.021 -6.229 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.726 8.022 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.219 6.697 -6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.503 9.707 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.756 9.047 -5.836 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.459 6.559 -8.657 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.040 7.707 -9.466 1.00 0.00 C ATOM 1088 C GLU A 67 1.380 7.511 -10.013 1.00 0.00 C ATOM 1089 O GLU A 67 2.080 8.469 -10.330 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.117 9.005 -8.652 1.00 0.00 C ATOM 1091 CG GLU A 67 -1.528 9.499 -8.415 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.214 9.899 -9.695 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -1.962 11.023 -10.182 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.010 9.106 -10.229 1.00 0.00 O ATOM 0 H GLU A 67 -1.280 6.073 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.725 7.782 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.369 8.847 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.447 9.781 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.107 8.717 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.503 10.352 -7.736 1.00 0.00 H new ATOM 1101 N GLY A 68 1.795 6.257 -10.126 1.00 0.00 N ATOM 1102 CA GLY A 68 3.093 5.948 -10.692 1.00 0.00 C ATOM 1103 C GLY A 68 4.184 5.852 -9.648 1.00 0.00 C ATOM 1104 O GLY A 68 5.361 5.707 -9.979 1.00 0.00 O ATOM 0 H GLY A 68 1.253 5.444 -9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.032 5.004 -11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.359 6.716 -11.418 1.00 0.00 H new ATOM 1108 N GLN A 69 3.815 5.923 -8.381 1.00 0.00 N ATOM 1109 CA GLN A 69 4.794 5.857 -7.317 1.00 0.00 C ATOM 1110 C GLN A 69 4.536 4.680 -6.422 1.00 0.00 C ATOM 1111 O GLN A 69 3.390 4.353 -6.117 1.00 0.00 O ATOM 1112 CB GLN A 69 4.790 7.136 -6.502 1.00 0.00 C ATOM 1113 CG GLN A 69 3.558 7.330 -5.643 1.00 0.00 C ATOM 1114 CD GLN A 69 3.406 8.757 -5.162 1.00 0.00 C ATOM 1115 OE1 GLN A 69 2.173 9.220 -5.088 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 4.386 9.445 -4.892 1.00 0.00 N flip ATOM 0 H GLN A 69 2.850 6.026 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 69 5.775 5.736 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.670 7.145 -5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.882 7.984 -7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.673 7.046 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.610 6.663 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.323 9.048 -4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.263 10.414 -4.597 1.00 0.00 H new ATOM 1125 N ARG A 70 5.588 4.032 -6.006 1.00 0.00 N ATOM 1126 CA ARG A 70 5.471 2.907 -5.119 1.00 0.00 C ATOM 1127 C ARG A 70 5.127 3.371 -3.721 1.00 0.00 C ATOM 1128 O ARG A 70 5.613 4.410 -3.247 1.00 0.00 O ATOM 1129 CB ARG A 70 6.752 2.066 -5.107 1.00 0.00 C ATOM 1130 CG ARG A 70 6.918 1.167 -6.326 1.00 0.00 C ATOM 1131 CD ARG A 70 7.227 1.952 -7.591 1.00 0.00 C ATOM 1132 NE ARG A 70 8.511 2.646 -7.513 1.00 0.00 N ATOM 1133 CZ ARG A 70 8.925 3.557 -8.400 1.00 0.00 C ATOM 1134 NH1 ARG A 70 8.160 3.875 -9.437 1.00 0.00 N ATOM 1135 NH2 ARG A 70 10.103 4.140 -8.251 1.00 0.00 N ATOM 0 H ARG A 70 6.545 4.266 -6.270 1.00 0.00 H new ATOM 0 HA ARG A 70 4.664 2.274 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.611 2.733 -5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.759 1.448 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.720 0.453 -6.140 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.006 0.590 -6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.234 1.274 -8.444 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.434 2.678 -7.768 1.00 0.00 H new ATOM 0 HE ARG A 70 9.130 2.421 -6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.253 3.424 -9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.479 4.570 -10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.697 3.895 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.418 4.835 -8.928 1.00 0.00 H new ATOM 1149 N ILE A 71 4.271 2.634 -3.059 1.00 0.00 N ATOM 1150 CA ILE A 71 3.864 2.984 -1.728 1.00 0.00 C ATOM 1151 C ILE A 71 4.904 2.518 -0.721 1.00 0.00 C ATOM 1152 O ILE A 71 4.962 1.340 -0.361 1.00 0.00 O ATOM 1153 CB ILE A 71 2.486 2.392 -1.375 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.526 2.505 -2.573 1.00 0.00 C ATOM 1155 CG2 ILE A 71 1.908 3.114 -0.167 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.282 3.920 -3.051 1.00 0.00 C ATOM 0 H ILE A 71 3.842 1.784 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 71 3.779 4.070 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 71 2.610 1.336 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.927 1.920 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.570 2.057 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.934 2.691 0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.579 2.995 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.796 4.174 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.595 3.905 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.849 4.508 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.227 4.368 -3.359 1.00 0.00 H new ATOM 1168 N ALA A 72 5.733 3.453 -0.292 1.00 0.00 N ATOM 1169 CA ALA A 72 6.806 3.198 0.650 1.00 0.00 C ATOM 1170 C ALA A 72 6.282 2.805 2.028 1.00 0.00 C ATOM 1171 O ALA A 72 5.073 2.825 2.288 1.00 0.00 O ATOM 1172 CB ALA A 72 7.677 4.433 0.762 1.00 0.00 C ATOM 0 H ALA A 72 5.678 4.426 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 72 7.389 2.357 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.485 4.246 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.098 4.671 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.076 5.272 1.112 1.00 0.00 H new ATOM 1178 N ASP A 73 7.207 2.496 2.927 1.00 0.00 N ATOM 1179 CA ASP A 73 6.883 2.074 4.291 1.00 0.00 C ATOM 1180 C ASP A 73 6.391 3.244 5.111 1.00 0.00 C ATOM 1181 O ASP A 73 5.728 3.077 6.127 1.00 0.00 O ATOM 1182 CB ASP A 73 8.107 1.446 4.961 1.00 0.00 C ATOM 1183 CG ASP A 73 9.278 2.403 5.041 1.00 0.00 C ATOM 1184 OD1 ASP A 73 9.958 2.602 4.008 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.525 2.963 6.121 1.00 0.00 O ATOM 0 H ASP A 73 8.208 2.530 2.734 1.00 0.00 H new ATOM 0 HA ASP A 73 6.089 1.329 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.840 1.119 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.405 0.557 4.405 1.00 0.00 H new ATOM 1190 N ASN A 74 6.712 4.433 4.662 1.00 0.00 N ATOM 1191 CA ASN A 74 6.332 5.648 5.347 1.00 0.00 C ATOM 1192 C ASN A 74 5.315 6.417 4.521 1.00 0.00 C ATOM 1193 O ASN A 74 4.983 7.565 4.827 1.00 0.00 O ATOM 1194 CB ASN A 74 7.566 6.529 5.601 1.00 0.00 C ATOM 1195 CG ASN A 74 8.279 6.932 4.316 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.273 6.198 3.326 1.00 0.00 O ATOM 1197 ND2 ASN A 74 8.901 8.088 4.322 1.00 0.00 N ATOM 0 H ASN A 74 7.247 4.588 3.807 1.00 0.00 H new ATOM 0 HA ASN A 74 5.887 5.380 6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.261 7.427 6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.263 5.993 6.245 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.399 8.403 3.490 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.886 8.671 5.159 1.00 0.00 H new ATOM 1204 N HIS A 75 4.809 5.795 3.459 1.00 0.00 N ATOM 1205 CA HIS A 75 3.832 6.459 2.624 1.00 0.00 C ATOM 1206 C HIS A 75 2.446 6.288 3.198 1.00 0.00 C ATOM 1207 O HIS A 75 2.057 5.194 3.621 1.00 0.00 O ATOM 1208 CB HIS A 75 3.881 5.948 1.186 1.00 0.00 C ATOM 1209 CG HIS A 75 4.609 6.865 0.248 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.799 6.586 -1.091 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.162 8.086 0.452 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.430 7.593 -1.661 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.659 8.511 -0.749 1.00 0.00 N ATOM 0 H HIS A 75 5.058 4.850 3.166 1.00 0.00 H new ATOM 0 HA HIS A 75 4.078 7.521 2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.363 4.971 1.173 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.862 5.806 0.825 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.202 8.623 1.388 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.711 7.654 -2.702 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.132 9.400 -0.911 1.00 0.00 H new ATOM 1222 N THR A 76 1.690 7.360 3.189 1.00 0.00 N ATOM 1223 CA THR A 76 0.365 7.383 3.772 1.00 0.00 C ATOM 1224 C THR A 76 -0.595 8.111 2.840 1.00 0.00 C ATOM 1225 O THR A 76 -0.152 8.765 1.890 1.00 0.00 O ATOM 1226 CB THR A 76 0.414 8.152 5.112 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.766 9.513 4.863 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.455 7.564 6.030 1.00 0.00 C ATOM 0 H THR A 76 1.976 8.247 2.775 1.00 0.00 H new ATOM 0 HA THR A 76 0.027 6.359 3.930 1.00 0.00 H new ATOM 0 HB THR A 76 -0.568 8.081 5.581 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.331 9.843 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.471 8.122 6.966 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.213 6.521 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.434 7.624 5.555 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.918 8.004 3.071 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.905 8.748 2.293 1.00 0.00 C ATOM 1238 C PRO A 77 -2.660 10.258 2.356 1.00 0.00 C ATOM 1239 O PRO A 77 -2.864 10.971 1.372 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.251 8.390 2.944 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.905 7.736 4.242 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.554 7.118 4.060 1.00 0.00 C ATOM 0 HA PRO A 77 -2.863 8.489 1.235 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.859 9.280 3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.828 7.719 2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.892 8.465 5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.645 6.980 4.505 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.994 7.088 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.624 6.092 3.698 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.192 10.744 3.512 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.914 12.170 3.688 1.00 0.00 C ATOM 1252 C LYS A 78 -0.618 12.542 2.970 1.00 0.00 C ATOM 1253 O LYS A 78 -0.421 13.681 2.552 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.830 12.524 5.197 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.534 12.086 5.890 1.00 0.00 C ATOM 1256 CD LYS A 78 0.469 13.226 6.010 1.00 0.00 C ATOM 1257 CE LYS A 78 1.813 12.734 6.534 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.826 13.818 6.575 1.00 0.00 N ATOM 0 H LYS A 78 -1.999 10.172 4.334 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.730 12.746 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.939 13.603 5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.674 12.064 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.767 11.703 6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.084 11.266 5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.607 13.695 5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.074 13.991 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.683 12.322 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.174 11.924 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.632 13.563 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.401 14.703 6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.156 13.948 7.553 1.00 0.00 H new ATOM 1272 N GLU A 79 0.261 11.563 2.820 1.00 0.00 N ATOM 1273 CA GLU A 79 1.543 11.767 2.177 1.00 0.00 C ATOM 1274 C GLU A 79 1.371 11.784 0.667 1.00 0.00 C ATOM 1275 O GLU A 79 1.975 12.585 -0.041 1.00 0.00 O ATOM 1276 CB GLU A 79 2.487 10.634 2.559 1.00 0.00 C ATOM 1277 CG GLU A 79 3.951 11.004 2.516 1.00 0.00 C ATOM 1278 CD GLU A 79 4.275 12.138 3.458 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.346 11.900 4.677 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.448 13.275 2.985 1.00 0.00 O ATOM 0 H GLU A 79 0.103 10.608 3.141 1.00 0.00 H new ATOM 0 HA GLU A 79 1.956 12.721 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.240 10.294 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.317 9.793 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.553 10.133 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.224 11.288 1.500 1.00 0.00 H new ATOM 1287 N LEU A 80 0.536 10.885 0.183 1.00 0.00 N ATOM 1288 CA LEU A 80 0.298 10.732 -1.235 1.00 0.00 C ATOM 1289 C LEU A 80 -0.796 11.665 -1.740 1.00 0.00 C ATOM 1290 O LEU A 80 -0.971 11.830 -2.949 1.00 0.00 O ATOM 1291 CB LEU A 80 -0.069 9.285 -1.520 1.00 0.00 C ATOM 1292 CG LEU A 80 0.996 8.269 -1.123 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.429 6.872 -1.120 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.180 8.357 -2.058 1.00 0.00 C ATOM 0 H LEU A 80 0.003 10.239 0.766 1.00 0.00 H new ATOM 0 HA LEU A 80 1.211 11.001 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.993 9.048 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.274 9.179 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 80 1.332 8.502 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.207 6.164 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.394 6.815 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.063 6.626 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.932 7.626 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.855 8.151 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.608 9.358 -2.009 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.539 12.275 -0.829 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.594 13.192 -1.236 1.00 0.00 C ATOM 1308 C GLY A 81 -3.762 12.471 -1.887 1.00 0.00 C ATOM 1309 O GLY A 81 -4.293 12.914 -2.906 1.00 0.00 O ATOM 0 H GLY A 81 -1.435 12.156 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.949 13.744 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.187 13.924 -1.933 1.00 0.00 H new ATOM 1313 N MET A 82 -4.153 11.351 -1.310 1.00 0.00 N ATOM 1314 CA MET A 82 -5.250 10.556 -1.841 1.00 0.00 C ATOM 1315 C MET A 82 -6.576 10.932 -1.195 1.00 0.00 C ATOM 1316 O MET A 82 -6.622 11.640 -0.186 1.00 0.00 O ATOM 1317 CB MET A 82 -4.979 9.066 -1.632 1.00 0.00 C ATOM 1318 CG MET A 82 -3.706 8.585 -2.293 1.00 0.00 C ATOM 1319 SD MET A 82 -3.467 6.805 -2.162 1.00 0.00 S ATOM 1320 CE MET A 82 -3.264 6.620 -0.404 1.00 0.00 C ATOM 0 H MET A 82 -3.725 10.967 -0.467 1.00 0.00 H new ATOM 0 HA MET A 82 -5.319 10.765 -2.909 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.923 8.862 -0.563 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.820 8.494 -2.023 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.722 8.866 -3.346 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.855 9.094 -1.840 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.001 5.587 -0.175 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.470 7.282 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.196 6.877 0.099 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.650 10.439 -1.772 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.989 10.678 -1.269 1.00 0.00 C ATOM 1332 C GLU A 83 -9.475 9.415 -0.598 1.00 0.00 C ATOM 1333 O GLU A 83 -8.821 8.376 -0.677 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.922 11.050 -2.431 1.00 0.00 C ATOM 1335 CG GLU A 83 -11.332 11.482 -2.023 1.00 0.00 C ATOM 1336 CD GLU A 83 -11.336 12.610 -1.013 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.263 13.788 -1.426 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -11.418 12.323 0.206 1.00 0.00 O ATOM 0 H GLU A 83 -7.621 9.857 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.983 11.501 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.462 11.858 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.001 10.193 -3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.881 11.795 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.862 10.626 -1.605 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.596 9.475 0.066 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.124 8.289 0.671 1.00 0.00 C ATOM 1347 C GLU A 84 -11.853 7.462 -0.364 1.00 0.00 C ATOM 1348 O GLU A 84 -12.399 7.991 -1.338 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.015 8.584 1.871 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.243 9.389 1.554 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.201 9.422 2.711 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.594 8.335 3.189 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.557 10.529 3.161 1.00 0.00 O ATOM 0 H GLU A 84 -11.153 10.319 0.200 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.281 7.716 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.322 7.639 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.429 9.118 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.953 10.407 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.741 8.965 0.682 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.823 6.159 -0.168 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.394 5.189 -1.087 1.00 0.00 C ATOM 1362 C GLU A 85 -11.591 5.180 -2.393 1.00 0.00 C ATOM 1363 O GLU A 85 -12.019 4.635 -3.412 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.885 5.468 -1.338 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.634 4.301 -1.963 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.471 3.016 -1.173 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -15.203 2.825 -0.180 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -13.612 2.189 -1.538 1.00 0.00 O ATOM 0 H GLU A 85 -11.392 5.733 0.653 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.332 4.198 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.360 5.727 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.977 6.337 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.693 4.549 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.275 4.146 -2.980 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.414 5.807 -2.355 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.521 5.828 -3.499 1.00 0.00 C ATOM 1377 C ASP A 86 -8.905 4.444 -3.679 1.00 0.00 C ATOM 1378 O ASP A 86 -9.134 3.534 -2.859 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.425 6.893 -3.325 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.968 7.488 -4.648 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.724 6.723 -5.607 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.865 8.734 -4.733 1.00 0.00 O ATOM 0 H ASP A 86 -10.062 6.307 -1.538 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.091 6.089 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.798 7.691 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.569 6.448 -2.817 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.109 4.269 -4.706 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.591 2.959 -5.011 1.00 0.00 C ATOM 1389 C VAL A 87 -6.096 2.951 -5.275 1.00 0.00 C ATOM 1390 O VAL A 87 -5.551 3.806 -5.976 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.326 2.319 -6.214 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.806 2.182 -5.919 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.108 3.130 -7.486 1.00 0.00 C ATOM 0 H VAL A 87 -7.808 5.010 -5.339 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.773 2.365 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.909 1.325 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.307 1.730 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.945 1.550 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.232 3.167 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.636 2.657 -8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.490 4.141 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.043 3.173 -7.712 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.436 1.982 -4.692 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.031 1.750 -4.931 1.00 0.00 C ATOM 1405 C ILE A 88 -3.918 0.586 -5.884 1.00 0.00 C ATOM 1406 O ILE A 88 -4.623 -0.413 -5.727 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.246 1.427 -3.614 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -2.979 2.703 -2.799 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.932 0.708 -3.915 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.221 3.371 -2.261 1.00 0.00 C ATOM 0 H ILE A 88 -5.859 1.327 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.590 2.656 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.872 0.763 -3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.324 2.456 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.441 3.414 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.410 0.498 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.140 -0.228 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.307 1.341 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.941 4.262 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.870 3.654 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.750 2.680 -1.605 1.00 0.00 H new ATOM 1422 N GLU A 89 -3.045 0.685 -6.859 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.919 -0.363 -7.846 1.00 0.00 C ATOM 1424 C GLU A 89 -1.756 -1.274 -7.485 1.00 0.00 C ATOM 1425 O GLU A 89 -0.698 -0.814 -7.038 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.723 0.230 -9.234 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.728 -0.796 -10.348 1.00 0.00 C ATOM 1428 CD GLU A 89 -4.094 -1.418 -10.567 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.943 -0.776 -11.226 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -4.323 -2.551 -10.103 1.00 0.00 O ATOM 0 H GLU A 89 -2.414 1.476 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.837 -0.950 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.512 0.959 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.777 0.771 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.396 -0.324 -11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.009 -1.582 -10.116 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.946 -2.557 -7.659 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.939 -3.525 -7.311 1.00 0.00 C ATOM 1439 C VAL A 90 -0.709 -4.538 -8.429 1.00 0.00 C ATOM 1440 O VAL A 90 -1.651 -5.086 -9.012 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.308 -4.269 -5.995 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.481 -5.525 -5.838 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.105 -3.365 -4.792 1.00 0.00 C ATOM 0 H VAL A 90 -2.801 -2.959 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.012 -2.972 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.360 -4.547 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.756 -6.028 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.666 -6.190 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.577 -5.263 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.369 -3.905 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.061 -3.056 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.739 -2.484 -4.888 1.00 0.00 H new ATOM 1453 N TYR A 91 0.548 -4.784 -8.727 1.00 0.00 N ATOM 1454 CA TYR A 91 0.923 -5.768 -9.709 1.00 0.00 C ATOM 1455 C TYR A 91 1.788 -6.816 -9.045 1.00 0.00 C ATOM 1456 O TYR A 91 2.563 -6.506 -8.152 1.00 0.00 O ATOM 1457 CB TYR A 91 1.655 -5.124 -10.885 1.00 0.00 C ATOM 1458 CG TYR A 91 0.835 -4.066 -11.591 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -0.214 -4.420 -12.426 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.101 -2.716 -11.409 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.976 -3.462 -13.062 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.342 -1.751 -12.039 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.693 -2.129 -12.866 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.456 -1.168 -13.491 1.00 0.00 O ATOM 0 H TYR A 91 1.337 -4.305 -8.293 1.00 0.00 H new ATOM 0 HA TYR A 91 0.024 -6.237 -10.108 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.582 -4.677 -10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 91 1.931 -5.898 -11.601 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.439 -5.465 -12.581 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.914 -2.416 -10.765 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.789 -3.756 -13.709 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.558 -0.704 -11.884 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.126 -0.278 -13.247 1.00 0.00 H new ATOM 1474 N GLN A 92 1.650 -8.056 -9.450 1.00 0.00 N ATOM 1475 CA GLN A 92 2.391 -9.133 -8.820 1.00 0.00 C ATOM 1476 C GLN A 92 3.030 -10.068 -9.844 1.00 0.00 C ATOM 1477 O GLN A 92 2.373 -10.529 -10.785 1.00 0.00 O ATOM 1478 CB GLN A 92 1.474 -9.931 -7.866 1.00 0.00 C ATOM 1479 CG GLN A 92 0.341 -10.689 -8.571 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.592 -11.420 -7.613 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.805 -10.861 -6.438 1.00 0.00 O flip ATOM 1482 NE2 GLN A 92 -1.140 -12.473 -7.944 1.00 0.00 N flip ATOM 0 H GLN A 92 1.035 -8.348 -10.210 1.00 0.00 H new ATOM 0 HA GLN A 92 3.198 -8.678 -8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.081 -10.644 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.040 -9.245 -7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.241 -9.985 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.774 -11.410 -9.264 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.953 -12.879 -8.861 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.780 -12.939 -7.301 1.00 0.00 H new