USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=15 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 54 TYR OH : rot 114:sc= -0.901 USER MOD Set 1.2: A 95 GLN : amide:sc= -0.902! C(o=-1.8!,f=-1.6!) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.311 K(o=-0.43,f=-1.2) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 161:sc= -0.104 (180deg=-0.601) USER MOD Set 2.3: A 42 LYS NZ :NH3+ -130:sc= -0.0134 (180deg=0) USER MOD Single : A 26 ASN : amide:sc=-0.00432 K(o=-0.0043,f=-0.61) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -0.22 (180deg=-1.31) USER MOD Single : A 38 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.84) USER MOD Single : A 44 HIS : no HD1:sc= -0.291 X(o=-0.29,f=-0.65) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.83 USER MOD Single : A 48 SER OG : rot 180:sc= -0.182 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -136:sc= -0.0877 (180deg=-2.38!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 115:sc= -2.8 USER MOD Single : A 58 GLN : amide:sc= -0.501 K(o=-0.5,f=-2.3) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 166:sc= -4.23! (180deg=-5.26!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0977 F(o=-0.76,f=-0.098) 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= -0.374 X(o=-0.37,f=-0.42) USER MOD Single : A 85 MET CE :methyl -146:sc= -6.32! (180deg=-6.62!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 6.896 7.800 12.671 1.00 0.00 N ATOM 308 CA HIS A 24 6.488 7.075 11.473 1.00 0.00 C ATOM 309 C HIS A 24 7.491 5.975 11.137 1.00 0.00 C ATOM 310 O HIS A 24 8.644 6.022 11.565 1.00 0.00 O ATOM 311 CB HIS A 24 6.352 8.036 10.292 1.00 0.00 C ATOM 312 CG HIS A 24 5.812 9.380 10.672 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.468 9.688 10.641 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.444 10.500 11.095 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.297 10.940 11.027 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.480 11.455 11.309 1.00 0.00 N ATOM 0 HA HIS A 24 5.520 6.613 11.669 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.328 8.165 9.825 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.697 7.589 9.544 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.508 10.620 11.238 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.350 11.455 11.100 1.00 0.00 H new ATOM 0 HE2 HIS A 24 5.650 12.407 11.633 1.00 0.00 H new ATOM 325 N ILE A 25 7.042 4.988 10.369 1.00 0.00 N ATOM 326 CA ILE A 25 7.900 3.877 9.976 1.00 0.00 C ATOM 327 C ILE A 25 7.956 3.736 8.458 1.00 0.00 C ATOM 328 O ILE A 25 6.952 3.916 7.771 1.00 0.00 O ATOM 329 CB ILE A 25 7.416 2.548 10.586 1.00 0.00 C ATOM 330 CG1 ILE A 25 5.948 2.304 10.232 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.609 2.557 12.095 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.312 1.187 11.029 1.00 0.00 C ATOM 0 H ILE A 25 6.090 4.935 10.007 1.00 0.00 H new ATOM 0 HA ILE A 25 8.897 4.099 10.355 1.00 0.00 H new ATOM 0 HB ILE A 25 8.010 1.735 10.168 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.385 3.223 10.397 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.873 2.070 9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.262 1.611 12.512 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.666 2.690 12.326 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.037 3.377 12.530 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.272 1.070 10.725 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.850 0.257 10.846 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.355 1.428 12.091 1.00 0.00 H new ATOM 344 N ASN A 26 9.138 3.411 7.943 1.00 0.00 N ATOM 345 CA ASN A 26 9.325 3.245 6.506 1.00 0.00 C ATOM 346 C ASN A 26 9.305 1.768 6.123 1.00 0.00 C ATOM 347 O ASN A 26 10.221 1.016 6.458 1.00 0.00 O ATOM 348 CB ASN A 26 10.645 3.880 6.066 1.00 0.00 C ATOM 349 CG ASN A 26 10.795 5.305 6.561 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.806 5.993 6.814 1.00 0.00 O ATOM 351 ND2 ASN A 26 12.036 5.756 6.702 1.00 0.00 N ATOM 0 H ASN A 26 9.979 3.258 8.499 1.00 0.00 H new ATOM 0 HA ASN A 26 8.502 3.746 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.475 3.280 6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.706 3.868 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.198 6.707 7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.827 5.151 6.481 1.00 0.00 H new ATOM 358 N LEU A 27 8.255 1.360 5.418 1.00 0.00 N ATOM 359 CA LEU A 27 8.115 -0.027 4.987 1.00 0.00 C ATOM 360 C LEU A 27 8.462 -0.175 3.509 1.00 0.00 C ATOM 361 O LEU A 27 7.944 0.553 2.662 1.00 0.00 O ATOM 362 CB LEU A 27 6.689 -0.518 5.240 1.00 0.00 C ATOM 363 CG LEU A 27 6.072 -0.124 6.582 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.684 -0.729 6.729 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.969 -0.559 7.731 1.00 0.00 C ATOM 0 H LEU A 27 7.489 1.970 5.133 1.00 0.00 H new ATOM 0 HA LEU A 27 8.810 -0.635 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.049 -0.139 4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.682 -1.605 5.165 1.00 0.00 H new ATOM 0 HG LEU A 27 5.979 0.962 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.260 -0.438 7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.043 -0.368 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.753 -1.816 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.513 -0.270 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.095 -1.641 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.942 -0.078 7.635 1.00 0.00 H new ATOM 377 N LYS A 28 9.340 -1.125 3.205 1.00 0.00 N ATOM 378 CA LYS A 28 9.754 -1.373 1.830 1.00 0.00 C ATOM 379 C LYS A 28 8.901 -2.466 1.193 1.00 0.00 C ATOM 380 O LYS A 28 9.016 -3.640 1.543 1.00 0.00 O ATOM 381 CB LYS A 28 11.231 -1.774 1.784 1.00 0.00 C ATOM 382 CG LYS A 28 12.182 -0.589 1.782 1.00 0.00 C ATOM 383 CD LYS A 28 13.616 -1.025 2.036 1.00 0.00 C ATOM 384 CE LYS A 28 13.894 -1.188 3.522 1.00 0.00 C ATOM 385 NZ LYS A 28 13.720 0.092 4.263 1.00 0.00 N ATOM 0 H LYS A 28 9.779 -1.736 3.894 1.00 0.00 H new ATOM 0 HA LYS A 28 9.615 -0.452 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.454 -2.407 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.409 -2.374 0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.122 -0.074 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.877 0.125 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.807 -1.968 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.301 -0.289 1.615 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.224 -1.941 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.911 -1.554 3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.359 0.108 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.944 0.890 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.736 0.174 4.589 1.00 0.00 H new ATOM 399 N VAL A 29 8.045 -2.071 0.256 1.00 0.00 N ATOM 400 CA VAL A 29 7.174 -3.017 -0.432 1.00 0.00 C ATOM 401 C VAL A 29 7.844 -3.572 -1.684 1.00 0.00 C ATOM 402 O VAL A 29 8.213 -2.821 -2.587 1.00 0.00 O ATOM 403 CB VAL A 29 5.836 -2.364 -0.825 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.849 -3.417 -1.306 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.263 -1.578 0.344 1.00 0.00 C ATOM 0 H VAL A 29 7.936 -1.102 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 29 6.981 -3.833 0.264 1.00 0.00 H new ATOM 0 HB VAL A 29 6.018 -1.669 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.909 -2.937 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.260 -3.931 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.669 -4.138 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.318 -1.123 0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.095 -2.249 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.965 -0.797 0.637 1.00 0.00 H new ATOM 415 N ALA A 30 7.999 -4.891 -1.731 1.00 0.00 N ATOM 416 CA ALA A 30 8.622 -5.547 -2.873 1.00 0.00 C ATOM 417 C ALA A 30 7.584 -6.266 -3.728 1.00 0.00 C ATOM 418 O ALA A 30 6.964 -7.232 -3.286 1.00 0.00 O ATOM 419 CB ALA A 30 9.690 -6.523 -2.403 1.00 0.00 C ATOM 0 H ALA A 30 7.701 -5.526 -0.991 1.00 0.00 H new ATOM 0 HA ALA A 30 9.092 -4.780 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.147 -7.006 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.454 -5.984 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.236 -7.279 -1.763 1.00 0.00 H new ATOM 479 N VAL A 36 10.627 -1.479 -6.240 1.00 0.00 N ATOM 480 CA VAL A 36 10.469 -1.354 -4.796 1.00 0.00 C ATOM 481 C VAL A 36 9.759 -0.054 -4.432 1.00 0.00 C ATOM 482 O VAL A 36 10.197 1.032 -4.810 1.00 0.00 O ATOM 483 CB VAL A 36 11.829 -1.402 -4.075 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.684 -0.951 -2.630 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.421 -2.801 -4.149 1.00 0.00 C ATOM 0 HA VAL A 36 9.864 -2.200 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 36 12.511 -0.716 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.655 -0.992 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.306 0.071 -2.604 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.986 -1.609 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.382 -2.817 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.743 -3.509 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.563 -3.081 -5.193 1.00 0.00 H new ATOM 495 N VAL A 37 8.660 -0.173 -3.694 1.00 0.00 N ATOM 496 CA VAL A 37 7.889 0.992 -3.277 1.00 0.00 C ATOM 497 C VAL A 37 7.877 1.128 -1.758 1.00 0.00 C ATOM 498 O VAL A 37 7.456 0.216 -1.048 1.00 0.00 O ATOM 499 CB VAL A 37 6.437 0.917 -3.786 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.705 2.221 -3.507 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.410 0.588 -5.271 1.00 0.00 C ATOM 0 H VAL A 37 8.284 -1.065 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 37 8.374 1.865 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 37 5.923 0.118 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.681 2.149 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.694 2.409 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.215 3.040 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.377 0.539 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.940 1.363 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.894 -0.374 -5.439 1.00 0.00 H new ATOM 511 N GLN A 38 8.342 2.273 -1.269 1.00 0.00 N ATOM 512 CA GLN A 38 8.385 2.528 0.166 1.00 0.00 C ATOM 513 C GLN A 38 7.169 3.334 0.612 1.00 0.00 C ATOM 514 O GLN A 38 6.486 3.951 -0.206 1.00 0.00 O ATOM 515 CB GLN A 38 9.669 3.272 0.535 1.00 0.00 C ATOM 516 CG GLN A 38 10.919 2.413 0.438 1.00 0.00 C ATOM 517 CD GLN A 38 12.160 3.224 0.118 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.119 4.152 -0.689 1.00 0.00 O ATOM 519 NE2 GLN A 38 13.274 2.876 0.753 1.00 0.00 N ATOM 0 H GLN A 38 8.694 3.038 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 38 8.370 1.568 0.681 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.780 4.136 -0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.578 3.654 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.067 1.886 1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.776 1.655 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.263 2.100 1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.140 3.385 0.579 1.00 0.00 H new ATOM 528 N PHE A 39 6.905 3.325 1.915 1.00 0.00 N ATOM 529 CA PHE A 39 5.771 4.055 2.470 1.00 0.00 C ATOM 530 C PHE A 39 6.044 4.468 3.913 1.00 0.00 C ATOM 531 O PHE A 39 6.538 3.675 4.715 1.00 0.00 O ATOM 532 CB PHE A 39 4.505 3.199 2.403 1.00 0.00 C ATOM 533 CG PHE A 39 4.048 2.911 1.001 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.631 1.892 0.264 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.037 3.660 0.420 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.213 1.627 -1.026 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.616 3.398 -0.870 1.00 0.00 C ATOM 538 CZ PHE A 39 3.204 2.379 -1.594 1.00 0.00 C ATOM 0 H PHE A 39 7.461 2.820 2.606 1.00 0.00 H new ATOM 0 HA PHE A 39 5.624 4.956 1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.686 2.256 2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.704 3.707 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.420 1.299 0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.573 4.457 0.982 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.676 0.831 -1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.828 3.990 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.875 2.171 -2.602 1.00 0.00 H new ATOM 548 N LYS A 40 5.718 5.715 4.237 1.00 0.00 N ATOM 549 CA LYS A 40 5.927 6.236 5.583 1.00 0.00 C ATOM 550 C LYS A 40 4.594 6.516 6.270 1.00 0.00 C ATOM 551 O LYS A 40 3.877 7.446 5.899 1.00 0.00 O ATOM 552 CB LYS A 40 6.766 7.515 5.533 1.00 0.00 C ATOM 553 CG LYS A 40 6.779 8.284 6.842 1.00 0.00 C ATOM 554 CD LYS A 40 7.245 9.717 6.642 1.00 0.00 C ATOM 555 CE LYS A 40 6.082 10.640 6.314 1.00 0.00 C ATOM 556 NZ LYS A 40 5.116 10.738 7.443 1.00 0.00 N ATOM 0 H LYS A 40 5.308 6.384 3.585 1.00 0.00 H new ATOM 0 HA LYS A 40 6.462 5.481 6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.790 7.258 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.381 8.162 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.779 8.283 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.436 7.783 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.746 10.067 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.978 9.753 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.463 11.633 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.567 10.274 5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.531 11.590 7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.504 9.897 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.637 10.795 8.341 1.00 0.00 H new ATOM 570 N ILE A 41 4.269 5.707 7.273 1.00 0.00 N ATOM 571 CA ILE A 41 3.024 5.871 8.013 1.00 0.00 C ATOM 572 C ILE A 41 3.278 5.904 9.516 1.00 0.00 C ATOM 573 O ILE A 41 4.418 5.794 9.967 1.00 0.00 O ATOM 574 CB ILE A 41 2.028 4.739 7.697 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.445 3.450 8.409 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.940 4.515 6.194 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.425 2.339 8.293 1.00 0.00 C ATOM 0 H ILE A 41 4.850 4.932 7.592 1.00 0.00 H new ATOM 0 HA ILE A 41 2.593 6.822 7.699 1.00 0.00 H new ATOM 0 HB ILE A 41 1.042 5.030 8.060 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.393 3.106 7.995 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.617 3.666 9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.232 3.712 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.602 5.431 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.922 4.241 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.787 1.456 8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.482 2.664 8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.270 2.095 7.242 1.00 0.00 H new ATOM 589 N LYS A 42 2.207 6.055 10.288 1.00 0.00 N ATOM 590 CA LYS A 42 2.312 6.100 11.742 1.00 0.00 C ATOM 591 C LYS A 42 2.050 4.725 12.348 1.00 0.00 C ATOM 592 O LYS A 42 1.513 3.836 11.687 1.00 0.00 O ATOM 593 CB LYS A 42 1.323 7.118 12.313 1.00 0.00 C ATOM 594 CG LYS A 42 1.404 8.483 11.652 1.00 0.00 C ATOM 595 CD LYS A 42 0.288 9.399 12.125 1.00 0.00 C ATOM 596 CE LYS A 42 -0.035 10.465 11.088 1.00 0.00 C ATOM 597 NZ LYS A 42 0.850 11.655 11.224 1.00 0.00 N ATOM 0 H LYS A 42 1.256 6.148 9.931 1.00 0.00 H new ATOM 0 HA LYS A 42 3.326 6.404 12.000 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.311 6.730 12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.506 7.230 13.382 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.369 8.939 11.874 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.347 8.368 10.570 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.605 8.809 12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.579 9.876 13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.073 10.044 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.076 10.772 11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.270 12.518 11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.395 11.583 12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.504 11.696 10.416 1.00 0.00 H new ATOM 611 N ARG A 43 2.432 4.558 13.610 1.00 0.00 N ATOM 612 CA ARG A 43 2.239 3.291 14.306 1.00 0.00 C ATOM 613 C ARG A 43 0.759 3.045 14.584 1.00 0.00 C ATOM 614 O ARG A 43 0.279 1.914 14.494 1.00 0.00 O ATOM 615 CB ARG A 43 3.024 3.281 15.618 1.00 0.00 C ATOM 616 CG ARG A 43 2.656 4.417 16.558 1.00 0.00 C ATOM 617 CD ARG A 43 3.819 4.792 17.463 1.00 0.00 C ATOM 618 NE ARG A 43 3.814 4.026 18.706 1.00 0.00 N ATOM 619 CZ ARG A 43 4.885 3.869 19.477 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.040 4.421 19.133 1.00 0.00 N ATOM 621 NH2 ARG A 43 4.801 3.158 20.594 1.00 0.00 N ATOM 0 H ARG A 43 2.877 5.284 14.171 1.00 0.00 H new ATOM 0 HA ARG A 43 2.609 2.492 13.664 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.854 2.332 16.126 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.089 3.337 15.394 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.351 5.287 15.977 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.800 4.124 17.166 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.758 4.622 16.936 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.771 5.856 17.693 1.00 0.00 H new ATOM 0 HE ARG A 43 2.941 3.587 18.999 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.108 4.968 18.275 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.860 4.299 19.727 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.914 2.731 20.862 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.623 3.038 21.185 1.00 0.00 H new ATOM 635 N HIS A 44 0.040 4.110 14.924 1.00 0.00 N ATOM 636 CA HIS A 44 -1.385 4.009 15.216 1.00 0.00 C ATOM 637 C HIS A 44 -2.214 4.198 13.949 1.00 0.00 C ATOM 638 O HIS A 44 -3.444 4.173 13.989 1.00 0.00 O ATOM 639 CB HIS A 44 -1.788 5.049 16.262 1.00 0.00 C ATOM 640 CG HIS A 44 -1.144 6.386 16.057 1.00 0.00 C ATOM 641 ND1 HIS A 44 0.028 6.760 16.680 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.514 7.438 15.290 1.00 0.00 C ATOM 643 CE1 HIS A 44 0.350 7.986 16.307 1.00 0.00 C ATOM 644 NE2 HIS A 44 -0.569 8.420 15.464 1.00 0.00 N ATOM 0 H HIS A 44 0.421 5.053 15.004 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.580 3.012 15.612 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.871 5.170 16.243 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.526 4.677 17.252 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.389 7.495 14.659 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.217 8.539 16.636 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.576 9.336 15.015 1.00 0.00 H new ATOM 653 N THR A 45 -1.531 4.388 12.824 1.00 0.00 N ATOM 654 CA THR A 45 -2.204 4.583 11.545 1.00 0.00 C ATOM 655 C THR A 45 -2.410 3.256 10.825 1.00 0.00 C ATOM 656 O THR A 45 -1.487 2.457 10.668 1.00 0.00 O ATOM 657 CB THR A 45 -1.407 5.532 10.631 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.605 6.890 11.042 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.833 5.369 9.179 1.00 0.00 C ATOM 0 H THR A 45 -0.513 4.411 12.773 1.00 0.00 H new ATOM 0 HA THR A 45 -3.174 5.029 11.762 1.00 0.00 H new ATOM 0 HB THR A 45 -0.350 5.278 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.093 7.487 10.457 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.257 6.049 8.552 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.654 4.342 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.894 5.599 9.083 1.00 0.00 H new ATOM 667 N PRO A 46 -3.650 3.013 10.374 1.00 0.00 N ATOM 668 CA PRO A 46 -4.006 1.783 9.661 1.00 0.00 C ATOM 669 C PRO A 46 -3.383 1.717 8.271 1.00 0.00 C ATOM 670 O PRO A 46 -3.338 2.716 7.552 1.00 0.00 O ATOM 671 CB PRO A 46 -5.532 1.861 9.560 1.00 0.00 C ATOM 672 CG PRO A 46 -5.842 3.316 9.627 1.00 0.00 C ATOM 673 CD PRO A 46 -4.799 3.921 10.526 1.00 0.00 C ATOM 0 HA PRO A 46 -3.644 0.894 10.177 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.890 1.422 8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.011 1.316 10.374 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.812 3.767 8.635 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.843 3.484 10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.550 4.938 10.225 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.139 3.969 11.560 1.00 0.00 H new ATOM 681 N LEU A 47 -2.903 0.536 7.899 1.00 0.00 N ATOM 682 CA LEU A 47 -2.282 0.339 6.593 1.00 0.00 C ATOM 683 C LEU A 47 -3.229 0.754 5.472 1.00 0.00 C ATOM 684 O LEU A 47 -2.808 0.955 4.333 1.00 0.00 O ATOM 685 CB LEU A 47 -1.872 -1.124 6.416 1.00 0.00 C ATOM 686 CG LEU A 47 -0.937 -1.693 7.483 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.766 -3.193 7.299 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.413 -0.991 7.438 1.00 0.00 C ATOM 0 H LEU A 47 -2.932 -0.300 8.483 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.392 0.967 6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.776 -1.733 6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.389 -1.230 5.445 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.384 -1.517 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.097 -3.580 8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.736 -3.683 7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.342 -3.393 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.066 -1.409 8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.866 -1.136 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.275 0.075 7.620 1.00 0.00 H new ATOM 700 N SER A 48 -4.510 0.881 5.803 1.00 0.00 N ATOM 701 CA SER A 48 -5.517 1.270 4.823 1.00 0.00 C ATOM 702 C SER A 48 -4.964 2.316 3.860 1.00 0.00 C ATOM 703 O SER A 48 -4.939 2.109 2.647 1.00 0.00 O ATOM 704 CB SER A 48 -6.760 1.817 5.528 1.00 0.00 C ATOM 705 OG SER A 48 -6.413 2.816 6.472 1.00 0.00 O ATOM 0 H SER A 48 -4.875 0.720 6.742 1.00 0.00 H new ATOM 0 HA SER A 48 -5.792 0.384 4.251 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.447 2.232 4.791 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.284 1.004 6.030 1.00 0.00 H new ATOM 0 HG SER A 48 -7.225 3.150 6.908 1.00 0.00 H new ATOM 711 N LYS A 49 -4.519 3.441 4.410 1.00 0.00 N ATOM 712 CA LYS A 49 -3.964 4.520 3.602 1.00 0.00 C ATOM 713 C LYS A 49 -2.778 4.029 2.778 1.00 0.00 C ATOM 714 O LYS A 49 -2.666 4.333 1.590 1.00 0.00 O ATOM 715 CB LYS A 49 -3.529 5.683 4.497 1.00 0.00 C ATOM 716 CG LYS A 49 -4.684 6.543 4.980 1.00 0.00 C ATOM 717 CD LYS A 49 -4.193 7.740 5.778 1.00 0.00 C ATOM 718 CE LYS A 49 -3.626 8.820 4.869 1.00 0.00 C ATOM 719 NZ LYS A 49 -2.931 9.886 5.642 1.00 0.00 N ATOM 0 H LYS A 49 -4.532 3.629 5.412 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.741 4.865 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.996 5.286 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.825 6.309 3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.264 6.888 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.353 5.943 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.016 8.151 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.428 7.419 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.929 8.371 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.432 9.262 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.559 10.603 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.602 10.332 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.146 9.468 6.181 1.00 0.00 H new ATOM 733 N LEU A 50 -1.896 3.267 3.416 1.00 0.00 N ATOM 734 CA LEU A 50 -0.719 2.732 2.741 1.00 0.00 C ATOM 735 C LEU A 50 -1.117 1.924 1.510 1.00 0.00 C ATOM 736 O LEU A 50 -0.769 2.278 0.384 1.00 0.00 O ATOM 737 CB LEU A 50 0.089 1.856 3.700 1.00 0.00 C ATOM 738 CG LEU A 50 0.913 0.739 3.058 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.766 1.289 1.925 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.785 0.053 4.099 1.00 0.00 C ATOM 0 H LEU A 50 -1.974 3.006 4.399 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.103 3.571 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.764 2.498 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.599 1.407 4.416 1.00 0.00 H new ATOM 0 HG LEU A 50 0.227 0.000 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.345 0.480 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.121 1.733 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.444 2.048 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.364 -0.739 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.463 0.782 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.154 -0.376 4.877 1.00 0.00 H new ATOM 752 N MET A 51 -1.849 0.837 1.733 1.00 0.00 N ATOM 753 CA MET A 51 -2.298 -0.019 0.641 1.00 0.00 C ATOM 754 C MET A 51 -2.855 0.814 -0.509 1.00 0.00 C ATOM 755 O MET A 51 -2.283 0.847 -1.599 1.00 0.00 O ATOM 756 CB MET A 51 -3.361 -1.000 1.138 1.00 0.00 C ATOM 757 CG MET A 51 -2.899 -1.857 2.306 1.00 0.00 C ATOM 758 SD MET A 51 -4.268 -2.428 3.332 1.00 0.00 S ATOM 759 CE MET A 51 -3.623 -3.995 3.914 1.00 0.00 C ATOM 0 H MET A 51 -2.144 0.528 2.659 1.00 0.00 H new ATOM 0 HA MET A 51 -1.438 -0.581 0.276 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.248 -0.441 1.437 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.656 -1.651 0.315 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.351 -2.719 1.925 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.204 -1.284 2.920 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.401 -4.756 3.849 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.774 -4.291 3.297 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.301 -3.893 4.950 1.00 0.00 H new ATOM 769 N LYS A 52 -3.975 1.484 -0.259 1.00 0.00 N ATOM 770 CA LYS A 52 -4.610 2.318 -1.273 1.00 0.00 C ATOM 771 C LYS A 52 -3.567 3.103 -2.063 1.00 0.00 C ATOM 772 O LYS A 52 -3.525 3.035 -3.291 1.00 0.00 O ATOM 773 CB LYS A 52 -5.603 3.282 -0.621 1.00 0.00 C ATOM 774 CG LYS A 52 -6.763 2.586 0.070 1.00 0.00 C ATOM 775 CD LYS A 52 -8.030 3.422 0.012 1.00 0.00 C ATOM 776 CE LYS A 52 -7.788 4.836 0.517 1.00 0.00 C ATOM 777 NZ LYS A 52 -7.961 4.936 1.993 1.00 0.00 N ATOM 0 H LYS A 52 -4.462 1.466 0.637 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.146 1.665 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.074 3.898 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.996 3.955 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.942 1.620 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.503 2.390 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.396 3.459 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.807 2.948 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.780 5.150 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.478 5.521 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.787 5.915 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.931 4.661 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.286 4.302 2.465 1.00 0.00 H new ATOM 791 N ALA A 53 -2.727 3.846 -1.350 1.00 0.00 N ATOM 792 CA ALA A 53 -1.683 4.641 -1.985 1.00 0.00 C ATOM 793 C ALA A 53 -0.831 3.785 -2.916 1.00 0.00 C ATOM 794 O ALA A 53 -0.402 4.242 -3.976 1.00 0.00 O ATOM 795 CB ALA A 53 -0.810 5.305 -0.930 1.00 0.00 C ATOM 0 H ALA A 53 -2.749 3.914 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.164 5.415 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.035 5.895 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.424 5.956 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.346 4.540 -0.308 1.00 0.00 H new ATOM 801 N TYR A 54 -0.591 2.542 -2.514 1.00 0.00 N ATOM 802 CA TYR A 54 0.212 1.623 -3.312 1.00 0.00 C ATOM 803 C TYR A 54 -0.517 1.234 -4.594 1.00 0.00 C ATOM 804 O TYR A 54 0.101 1.065 -5.646 1.00 0.00 O ATOM 805 CB TYR A 54 0.546 0.369 -2.502 1.00 0.00 C ATOM 806 CG TYR A 54 1.328 -0.665 -3.280 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.712 -0.590 -3.377 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.683 -1.717 -3.918 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.431 -1.532 -4.087 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.394 -2.664 -4.630 1.00 0.00 C ATOM 811 CZ TYR A 54 2.767 -2.567 -4.712 1.00 0.00 C ATOM 812 OH TYR A 54 3.479 -3.508 -5.420 1.00 0.00 O ATOM 0 H TYR A 54 -0.941 2.148 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 54 1.138 2.131 -3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.119 0.658 -1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.381 -0.081 -2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.235 0.219 -2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.392 -1.796 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.507 -1.459 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.877 -3.476 -5.120 1.00 0.00 H new ATOM 0 HH TYR A 54 3.403 -4.378 -4.976 1.00 0.00 H new ATOM 822 N CYS A 55 -1.834 1.095 -4.499 1.00 0.00 N ATOM 823 CA CYS A 55 -2.650 0.726 -5.651 1.00 0.00 C ATOM 824 C CYS A 55 -2.725 1.873 -6.653 1.00 0.00 C ATOM 825 O CYS A 55 -2.481 1.685 -7.845 1.00 0.00 O ATOM 826 CB CYS A 55 -4.057 0.333 -5.200 1.00 0.00 C ATOM 827 SG CYS A 55 -4.218 -1.399 -4.708 1.00 0.00 S ATOM 0 H CYS A 55 -2.360 1.232 -3.636 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.181 -0.128 -6.139 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.348 0.966 -4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.757 0.536 -6.011 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.497 -1.466 -3.440 1.00 0.00 H new ATOM 833 N GLU A 56 -3.066 3.060 -6.162 1.00 0.00 N ATOM 834 CA GLU A 56 -3.175 4.237 -7.016 1.00 0.00 C ATOM 835 C GLU A 56 -1.853 4.522 -7.723 1.00 0.00 C ATOM 836 O GLU A 56 -1.830 4.857 -8.907 1.00 0.00 O ATOM 837 CB GLU A 56 -3.599 5.455 -6.192 1.00 0.00 C ATOM 838 CG GLU A 56 -2.436 6.179 -5.535 1.00 0.00 C ATOM 839 CD GLU A 56 -2.856 7.476 -4.871 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.741 8.164 -5.422 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.300 7.803 -3.802 1.00 0.00 O ATOM 0 H GLU A 56 -3.271 3.232 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.934 4.036 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.132 6.153 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.300 5.135 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.980 5.526 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.674 6.389 -6.285 1.00 0.00 H new ATOM 848 N ARG A 57 -0.755 4.385 -6.987 1.00 0.00 N ATOM 849 CA ARG A 57 0.571 4.629 -7.542 1.00 0.00 C ATOM 850 C ARG A 57 0.807 3.774 -8.784 1.00 0.00 C ATOM 851 O ARG A 57 1.331 4.254 -9.789 1.00 0.00 O ATOM 852 CB ARG A 57 1.647 4.335 -6.495 1.00 0.00 C ATOM 853 CG ARG A 57 3.063 4.573 -6.994 1.00 0.00 C ATOM 854 CD ARG A 57 4.093 4.249 -5.923 1.00 0.00 C ATOM 855 NE ARG A 57 4.160 5.286 -4.897 1.00 0.00 N ATOM 856 CZ ARG A 57 4.659 6.499 -5.109 1.00 0.00 C ATOM 857 NH1 ARG A 57 5.132 6.825 -6.304 1.00 0.00 N ATOM 858 NH2 ARG A 57 4.685 7.389 -4.125 1.00 0.00 N ATOM 0 H ARG A 57 -0.757 4.107 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 57 0.630 5.679 -7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.470 4.959 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.554 3.298 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.247 3.959 -7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.171 5.613 -7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.845 3.295 -5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.073 4.133 -6.386 1.00 0.00 H new ATOM 0 HE ARG A 57 3.804 5.067 -3.966 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.113 6.144 -7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.515 7.757 -6.464 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.322 7.142 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.068 8.320 -4.289 1.00 0.00 H new ATOM 872 N GLN A 58 0.417 2.506 -8.706 1.00 0.00 N ATOM 873 CA GLN A 58 0.587 1.585 -9.823 1.00 0.00 C ATOM 874 C GLN A 58 -0.727 1.390 -10.573 1.00 0.00 C ATOM 875 O GLN A 58 -0.814 0.575 -11.490 1.00 0.00 O ATOM 876 CB GLN A 58 1.107 0.235 -9.324 1.00 0.00 C ATOM 877 CG GLN A 58 2.439 0.328 -8.596 1.00 0.00 C ATOM 878 CD GLN A 58 3.553 0.847 -9.483 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.392 0.964 -10.698 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.693 1.163 -8.879 1.00 0.00 N ATOM 0 H GLN A 58 -0.019 2.093 -7.881 1.00 0.00 H new ATOM 0 HA GLN A 58 1.316 2.017 -10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.367 -0.206 -8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.213 -0.441 -10.173 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.332 0.984 -7.732 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.711 -0.657 -8.216 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.783 1.050 -7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.478 1.518 -9.425 1.00 0.00 H new ATOM 889 N GLY A 59 -1.747 2.146 -10.176 1.00 0.00 N ATOM 890 CA GLY A 59 -3.042 2.041 -10.822 1.00 0.00 C ATOM 891 C GLY A 59 -3.605 0.635 -10.767 1.00 0.00 C ATOM 892 O GLY A 59 -4.299 0.199 -11.687 1.00 0.00 O ATOM 0 H GLY A 59 -1.699 2.828 -9.419 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.740 2.728 -10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.952 2.352 -11.863 1.00 0.00 H new ATOM 896 N LEU A 60 -3.305 -0.079 -9.688 1.00 0.00 N ATOM 897 CA LEU A 60 -3.785 -1.446 -9.517 1.00 0.00 C ATOM 898 C LEU A 60 -5.035 -1.480 -8.643 1.00 0.00 C ATOM 899 O LEU A 60 -5.557 -0.437 -8.249 1.00 0.00 O ATOM 900 CB LEU A 60 -2.691 -2.318 -8.897 1.00 0.00 C ATOM 901 CG LEU A 60 -1.339 -2.306 -9.609 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.323 -3.138 -8.841 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.482 -2.818 -11.035 1.00 0.00 C ATOM 0 H LEU A 60 -2.732 0.266 -8.918 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.042 -1.840 -10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.539 -1.997 -7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.051 -3.346 -8.861 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.980 -1.277 -9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.633 -3.117 -9.363 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.198 -2.726 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.675 -4.167 -8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.509 -2.802 -11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.864 -3.839 -11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.176 -2.180 -11.583 1.00 0.00 H new ATOM 915 N SER A 61 -5.508 -2.685 -8.341 1.00 0.00 N ATOM 916 CA SER A 61 -6.697 -2.854 -7.514 1.00 0.00 C ATOM 917 C SER A 61 -6.342 -3.500 -6.178 1.00 0.00 C ATOM 918 O SER A 61 -5.588 -4.471 -6.127 1.00 0.00 O ATOM 919 CB SER A 61 -7.735 -3.706 -8.246 1.00 0.00 C ATOM 920 OG SER A 61 -9.051 -3.360 -7.848 1.00 0.00 O ATOM 0 H SER A 61 -5.086 -3.558 -8.657 1.00 0.00 H new ATOM 0 HA SER A 61 -7.118 -1.868 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.629 -3.569 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.555 -4.761 -8.040 1.00 0.00 H new ATOM 0 HG SER A 61 -9.696 -3.917 -8.331 1.00 0.00 H new ATOM 926 N MET A 62 -6.892 -2.953 -5.099 1.00 0.00 N ATOM 927 CA MET A 62 -6.635 -3.476 -3.762 1.00 0.00 C ATOM 928 C MET A 62 -6.852 -4.985 -3.718 1.00 0.00 C ATOM 929 O MET A 62 -6.051 -5.720 -3.140 1.00 0.00 O ATOM 930 CB MET A 62 -7.541 -2.788 -2.739 1.00 0.00 C ATOM 931 CG MET A 62 -6.925 -2.686 -1.353 1.00 0.00 C ATOM 932 SD MET A 62 -7.944 -1.736 -0.209 1.00 0.00 S ATOM 933 CE MET A 62 -6.735 -0.590 0.450 1.00 0.00 C ATOM 0 H MET A 62 -7.518 -2.148 -5.124 1.00 0.00 H new ATOM 0 HA MET A 62 -5.595 -3.269 -3.512 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.782 -1.786 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.480 -3.337 -2.671 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.773 -3.688 -0.952 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.942 -2.221 -1.430 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.247 0.216 0.976 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.076 -1.114 1.142 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.145 -0.173 -0.367 1.00 0.00 H new ATOM 943 N ARG A 63 -7.940 -5.440 -4.331 1.00 0.00 N ATOM 944 CA ARG A 63 -8.262 -6.862 -4.360 1.00 0.00 C ATOM 945 C ARG A 63 -7.260 -7.629 -5.217 1.00 0.00 C ATOM 946 O ARG A 63 -6.717 -8.648 -4.791 1.00 0.00 O ATOM 947 CB ARG A 63 -9.678 -7.074 -4.898 1.00 0.00 C ATOM 948 CG ARG A 63 -9.914 -6.440 -6.259 1.00 0.00 C ATOM 949 CD ARG A 63 -11.368 -6.032 -6.439 1.00 0.00 C ATOM 950 NE ARG A 63 -11.611 -4.662 -5.994 1.00 0.00 N ATOM 951 CZ ARG A 63 -12.638 -3.927 -6.407 1.00 0.00 C ATOM 952 NH1 ARG A 63 -13.512 -4.427 -7.269 1.00 0.00 N ATOM 953 NH2 ARG A 63 -12.791 -2.688 -5.956 1.00 0.00 N ATOM 0 H ARG A 63 -8.613 -4.845 -4.814 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.207 -7.243 -3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.875 -8.144 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.393 -6.663 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.273 -5.565 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.633 -7.143 -7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.644 -6.126 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.008 -6.714 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.957 -4.247 -5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.397 -5.379 -7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.299 -3.860 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.120 -2.300 -5.293 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.579 -2.124 -6.273 1.00 0.00 H new ATOM 967 N GLN A 64 -7.022 -7.133 -6.427 1.00 0.00 N ATOM 968 CA GLN A 64 -6.087 -7.774 -7.344 1.00 0.00 C ATOM 969 C GLN A 64 -4.782 -8.123 -6.635 1.00 0.00 C ATOM 970 O GLN A 64 -4.197 -9.179 -6.877 1.00 0.00 O ATOM 971 CB GLN A 64 -5.803 -6.860 -8.538 1.00 0.00 C ATOM 972 CG GLN A 64 -6.856 -6.944 -9.631 1.00 0.00 C ATOM 973 CD GLN A 64 -6.606 -8.086 -10.595 1.00 0.00 C ATOM 974 OE1 GLN A 64 -7.091 -9.200 -10.395 1.00 0.00 O ATOM 975 NE2 GLN A 64 -5.846 -7.816 -11.650 1.00 0.00 N ATOM 0 H GLN A 64 -7.463 -6.290 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.543 -8.697 -7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.735 -5.830 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.832 -7.118 -8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.838 -7.067 -9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.876 -6.005 -10.184 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.464 -6.879 -11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.644 -8.546 -12.333 1.00 0.00 H new ATOM 984 N ILE A 65 -4.333 -7.229 -5.760 1.00 0.00 N ATOM 985 CA ILE A 65 -3.098 -7.444 -5.016 1.00 0.00 C ATOM 986 C ILE A 65 -3.388 -7.876 -3.583 1.00 0.00 C ATOM 987 O ILE A 65 -4.522 -7.783 -3.113 1.00 0.00 O ATOM 988 CB ILE A 65 -2.227 -6.174 -4.991 1.00 0.00 C ATOM 989 CG1 ILE A 65 -2.980 -5.027 -4.313 1.00 0.00 C ATOM 990 CG2 ILE A 65 -1.819 -5.784 -6.404 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.071 -3.952 -3.759 1.00 0.00 C ATOM 0 H ILE A 65 -4.806 -6.350 -5.549 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.555 -8.237 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.324 -6.381 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.665 -4.577 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.588 -5.431 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.204 -4.885 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.250 -6.596 -6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.711 -5.591 -7.000 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.672 -3.171 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.403 -4.388 -3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.482 -3.521 -4.568 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.355 -8.348 -2.892 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.498 -8.794 -1.512 1.00 0.00 C ATOM 1005 C ARG A 66 -1.248 -8.466 -0.702 1.00 0.00 C ATOM 1006 O ARG A 66 -0.133 -8.814 -1.093 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.769 -10.299 -1.465 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.038 -10.712 -2.193 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.267 -10.531 -1.315 1.00 0.00 C ATOM 1010 NE ARG A 66 -6.420 -11.264 -1.831 1.00 0.00 N ATOM 1011 CZ ARG A 66 -7.513 -11.512 -1.117 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -7.600 -11.087 0.136 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -8.521 -12.185 -1.656 1.00 0.00 N ATOM 0 H ARG A 66 -1.410 -8.431 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.344 -8.266 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.921 -10.826 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.838 -10.615 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.147 -10.119 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.959 -11.755 -2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.044 -10.871 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.512 -9.471 -1.248 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.384 -11.604 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.827 -10.569 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.440 -11.278 0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.458 -12.513 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.359 -12.375 -1.107 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.440 -7.794 0.429 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.328 -7.418 1.293 1.00 0.00 C ATOM 1029 C PHE A 67 -0.020 -8.526 2.296 1.00 0.00 C ATOM 1030 O PHE A 67 -0.873 -9.361 2.596 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.648 -6.118 2.035 1.00 0.00 C ATOM 1032 CG PHE A 67 -0.647 -4.906 1.147 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -1.800 -4.515 0.485 1.00 0.00 C ATOM 1034 CD2 PHE A 67 0.506 -4.157 0.976 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -1.801 -3.401 -0.333 1.00 0.00 C ATOM 1036 CE2 PHE A 67 0.511 -3.042 0.160 1.00 0.00 C ATOM 1037 CZ PHE A 67 -0.645 -2.663 -0.495 1.00 0.00 C ATOM 0 H PHE A 67 -2.356 -7.499 0.768 1.00 0.00 H new ATOM 0 HA PHE A 67 0.551 -7.264 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.625 -6.211 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 67 0.081 -5.975 2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.708 -5.087 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.412 -4.448 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.705 -3.108 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.417 -2.468 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 67 -0.645 -1.791 -1.133 1.00 0.00 H new ATOM 1047 N ARG A 68 1.206 -8.525 2.811 1.00 0.00 N ATOM 1048 CA ARG A 68 1.628 -9.531 3.779 1.00 0.00 C ATOM 1049 C ARG A 68 2.849 -9.054 4.560 1.00 0.00 C ATOM 1050 O ARG A 68 3.689 -8.324 4.034 1.00 0.00 O ATOM 1051 CB ARG A 68 1.945 -10.849 3.071 1.00 0.00 C ATOM 1052 CG ARG A 68 0.719 -11.707 2.804 1.00 0.00 C ATOM 1053 CD ARG A 68 1.064 -13.189 2.810 1.00 0.00 C ATOM 1054 NE ARG A 68 -0.111 -14.025 2.580 1.00 0.00 N ATOM 1055 CZ ARG A 68 -0.574 -14.326 1.372 1.00 0.00 C ATOM 1056 NH1 ARG A 68 0.036 -13.861 0.290 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -1.649 -15.093 1.244 1.00 0.00 N ATOM 0 H ARG A 68 1.923 -7.840 2.574 1.00 0.00 H new ATOM 0 HA ARG A 68 0.809 -9.691 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.440 -10.633 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.650 -11.417 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.039 -11.506 3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.287 -11.437 1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.809 -13.391 2.040 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.515 -13.452 3.767 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.603 -14.398 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.863 -13.271 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.321 -14.094 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.121 -15.452 2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.004 -15.323 0.316 1.00 0.00 H new ATOM 1071 N PHE A 69 2.940 -9.472 5.818 1.00 0.00 N ATOM 1072 CA PHE A 69 4.057 -9.087 6.672 1.00 0.00 C ATOM 1073 C PHE A 69 4.527 -10.267 7.518 1.00 0.00 C ATOM 1074 O PHE A 69 3.814 -10.729 8.410 1.00 0.00 O ATOM 1075 CB PHE A 69 3.655 -7.923 7.580 1.00 0.00 C ATOM 1076 CG PHE A 69 4.732 -7.516 8.545 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.818 -6.769 8.117 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.658 -7.879 9.880 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.810 -6.392 9.002 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.647 -7.505 10.770 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.725 -6.762 10.330 1.00 0.00 C ATOM 0 H PHE A 69 2.254 -10.077 6.268 1.00 0.00 H new ATOM 0 HA PHE A 69 4.880 -8.771 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.389 -7.066 6.962 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.762 -8.201 8.140 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.890 -6.478 7.079 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.818 -8.461 10.229 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.651 -5.809 8.656 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.577 -7.793 11.808 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.500 -6.471 11.023 1.00 0.00 H new ATOM 1091 N ASP A 70 5.731 -10.751 7.232 1.00 0.00 N ATOM 1092 CA ASP A 70 6.297 -11.877 7.966 1.00 0.00 C ATOM 1093 C ASP A 70 5.597 -13.178 7.588 1.00 0.00 C ATOM 1094 O ASP A 70 5.576 -14.131 8.366 1.00 0.00 O ATOM 1095 CB ASP A 70 6.183 -11.640 9.472 1.00 0.00 C ATOM 1096 CG ASP A 70 7.176 -12.467 10.265 1.00 0.00 C ATOM 1097 OD1 ASP A 70 7.316 -13.672 9.967 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.813 -11.910 11.184 1.00 0.00 O ATOM 0 H ASP A 70 6.334 -10.381 6.497 1.00 0.00 H new ATOM 0 HA ASP A 70 7.350 -11.962 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.344 -10.583 9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.171 -11.880 9.799 1.00 0.00 H new ATOM 1103 N GLY A 71 5.024 -13.211 6.389 1.00 0.00 N ATOM 1104 CA GLY A 71 4.330 -14.400 5.930 1.00 0.00 C ATOM 1105 C GLY A 71 2.947 -14.533 6.535 1.00 0.00 C ATOM 1106 O GLY A 71 2.492 -15.641 6.819 1.00 0.00 O ATOM 0 H GLY A 71 5.028 -12.435 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.247 -14.372 4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.920 -15.281 6.182 1.00 0.00 H new ATOM 1110 N GLN A 72 2.278 -13.402 6.733 1.00 0.00 N ATOM 1111 CA GLN A 72 0.939 -13.398 7.310 1.00 0.00 C ATOM 1112 C GLN A 72 0.040 -12.395 6.594 1.00 0.00 C ATOM 1113 O GLN A 72 0.467 -11.307 6.209 1.00 0.00 O ATOM 1114 CB GLN A 72 1.005 -13.068 8.802 1.00 0.00 C ATOM 1115 CG GLN A 72 1.815 -14.068 9.611 1.00 0.00 C ATOM 1116 CD GLN A 72 0.984 -15.244 10.086 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.398 -15.969 9.282 1.00 0.00 O ATOM 1118 NE2 GLN A 72 0.929 -15.439 11.398 1.00 0.00 N ATOM 0 H GLN A 72 2.641 -12.477 6.503 1.00 0.00 H new ATOM 0 HA GLN A 72 0.513 -14.394 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.439 -12.076 8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.008 -13.026 9.201 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.643 -14.435 9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.251 -13.564 10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.431 -14.813 12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.385 -16.215 11.776 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.235 -12.768 6.411 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.221 -11.915 5.740 1.00 0.00 C ATOM 1129 C PRO A 73 -2.595 -10.695 6.576 1.00 0.00 C ATOM 1130 O PRO A 73 -3.097 -10.827 7.692 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.430 -12.838 5.569 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.291 -13.850 6.653 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.813 -14.052 6.844 1.00 0.00 C ATOM 0 HA PRO A 73 -1.840 -11.511 4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.365 -12.286 5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.433 -13.309 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.760 -13.502 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.780 -14.785 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.568 -14.273 7.883 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.440 -14.883 6.245 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.349 -9.511 6.027 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.662 -8.268 6.722 1.00 0.00 C ATOM 1143 C ILE A 74 -3.846 -7.559 6.073 1.00 0.00 C ATOM 1144 O ILE A 74 -4.024 -7.614 4.857 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.453 -7.314 6.741 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.806 -7.247 5.356 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.441 -7.762 7.784 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.196 -6.124 5.211 1.00 0.00 C ATOM 0 H ILE A 74 -1.934 -9.386 5.104 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.919 -8.535 7.747 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.801 -6.316 7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.309 -8.195 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.586 -7.126 4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.407 -7.078 7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.909 -7.762 8.769 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.095 -8.768 7.547 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.614 -6.137 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.300 -5.169 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.997 -6.255 5.939 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.650 -6.891 6.893 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.817 -6.168 6.399 1.00 0.00 C ATOM 1162 C ASN A 75 -5.650 -4.665 6.598 1.00 0.00 C ATOM 1163 O ASN A 75 -4.884 -4.224 7.454 1.00 0.00 O ATOM 1164 CB ASN A 75 -7.081 -6.651 7.112 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.311 -8.140 6.937 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -6.480 -8.947 7.588 1.00 0.00 O flip ATOM 1167 ND2 ASN A 75 -8.224 -8.560 6.226 1.00 0.00 N flip ATOM 0 H ASN A 75 -4.515 -6.835 7.903 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.912 -6.367 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.006 -6.420 8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.943 -6.105 6.727 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.839 -7.904 5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.366 -9.564 6.119 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.373 -3.884 5.801 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.305 -2.430 5.890 1.00 0.00 C ATOM 1176 C GLU A 76 -6.712 -1.950 7.280 1.00 0.00 C ATOM 1177 O GLU A 76 -6.207 -0.942 7.775 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.207 -1.789 4.833 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.619 -2.349 4.817 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.533 -1.600 3.867 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.923 -0.460 4.196 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -9.859 -2.153 2.796 1.00 0.00 O ATOM 0 H GLU A 76 -7.012 -4.234 5.087 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.273 -2.129 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.253 -0.715 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.758 -1.931 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.586 -3.400 4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.034 -2.306 5.824 1.00 0.00 H new ATOM 1189 N THR A 77 -7.631 -2.680 7.906 1.00 0.00 N ATOM 1190 CA THR A 77 -8.108 -2.329 9.238 1.00 0.00 C ATOM 1191 C THR A 77 -6.997 -2.463 10.273 1.00 0.00 C ATOM 1192 O THR A 77 -6.870 -1.632 11.172 1.00 0.00 O ATOM 1193 CB THR A 77 -9.297 -3.214 9.659 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.913 -4.593 9.636 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.487 -2.997 8.737 1.00 0.00 C ATOM 0 H THR A 77 -8.059 -3.518 7.512 1.00 0.00 H new ATOM 0 HA THR A 77 -8.435 -1.290 9.194 1.00 0.00 H new ATOM 0 HB THR A 77 -9.588 -2.936 10.672 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.673 -5.149 9.906 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.314 -3.633 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.795 -1.952 8.780 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.206 -3.250 7.715 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.194 -3.513 10.140 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.092 -3.755 11.063 1.00 0.00 C ATOM 1205 C ASP A 78 -4.100 -2.597 11.040 1.00 0.00 C ATOM 1206 O ASP A 78 -4.030 -1.843 10.069 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.379 -5.061 10.709 1.00 0.00 C ATOM 1208 CG ASP A 78 -5.160 -6.284 11.147 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.153 -6.591 12.357 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -5.778 -6.936 10.279 1.00 0.00 O ATOM 0 H ASP A 78 -6.286 -4.210 9.401 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.504 -3.837 12.069 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.218 -5.103 9.632 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.396 -5.074 11.179 1.00 0.00 H new ATOM 1215 N THR A 79 -3.333 -2.459 12.118 1.00 0.00 N ATOM 1216 CA THR A 79 -2.347 -1.391 12.222 1.00 0.00 C ATOM 1217 C THR A 79 -0.929 -1.951 12.213 1.00 0.00 C ATOM 1218 O THR A 79 -0.699 -3.131 12.479 1.00 0.00 O ATOM 1219 CB THR A 79 -2.551 -0.561 13.504 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.107 -1.383 14.536 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.469 0.622 13.241 1.00 0.00 C ATOM 0 H THR A 79 -3.376 -3.074 12.931 1.00 0.00 H new ATOM 0 HA THR A 79 -2.486 -0.746 11.355 1.00 0.00 H new ATOM 0 HB THR A 79 -1.580 -0.183 13.825 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.232 -0.849 15.348 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.599 1.193 14.160 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.029 1.261 12.475 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.439 0.261 12.899 1.00 0.00 H new ATOM 1229 N PRO A 80 0.047 -1.085 11.901 1.00 0.00 N ATOM 1230 CA PRO A 80 1.461 -1.471 11.851 1.00 0.00 C ATOM 1231 C PRO A 80 2.031 -1.765 13.234 1.00 0.00 C ATOM 1232 O PRO A 80 2.999 -2.513 13.371 1.00 0.00 O ATOM 1233 CB PRO A 80 2.142 -0.242 11.242 1.00 0.00 C ATOM 1234 CG PRO A 80 1.242 0.896 11.579 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.153 0.336 11.573 1.00 0.00 C ATOM 0 HA PRO A 80 1.614 -2.387 11.280 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.139 -0.095 11.658 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.259 -0.348 10.164 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.490 1.314 12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.342 1.702 10.852 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.788 0.832 12.307 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.632 0.460 10.602 1.00 0.00 H new ATOM 1243 N ALA A 81 1.423 -1.174 14.258 1.00 0.00 N ATOM 1244 CA ALA A 81 1.869 -1.375 15.631 1.00 0.00 C ATOM 1245 C ALA A 81 1.429 -2.737 16.156 1.00 0.00 C ATOM 1246 O ALA A 81 2.016 -3.268 17.099 1.00 0.00 O ATOM 1247 CB ALA A 81 1.339 -0.265 16.526 1.00 0.00 C ATOM 0 H ALA A 81 0.620 -0.552 14.162 1.00 0.00 H new ATOM 0 HA ALA A 81 2.959 -1.345 15.642 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.680 -0.428 17.548 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.707 0.697 16.170 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.249 -0.267 16.502 1.00 0.00 H new ATOM 1253 N GLN A 82 0.392 -3.297 15.541 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.127 -4.597 15.950 1.00 0.00 C ATOM 1255 C GLN A 82 0.781 -5.722 15.466 1.00 0.00 C ATOM 1256 O GLN A 82 0.938 -6.741 16.140 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.543 -4.798 15.406 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.295 -5.937 16.074 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.295 -5.829 17.586 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -1.504 -6.484 18.266 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -3.183 -5.000 18.121 1.00 0.00 N ATOM 0 H GLN A 82 -0.105 -2.871 14.758 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.157 -4.622 17.039 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.108 -3.875 15.536 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.488 -4.989 14.334 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.324 -5.948 15.714 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.845 -6.886 15.781 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.819 -4.477 17.520 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.229 -4.886 19.134 1.00 0.00 H new ATOM 1270 N LEU A 83 1.377 -5.532 14.294 1.00 0.00 N ATOM 1271 CA LEU A 83 2.271 -6.531 13.719 1.00 0.00 C ATOM 1272 C LEU A 83 3.694 -6.353 14.238 1.00 0.00 C ATOM 1273 O LEU A 83 4.632 -6.965 13.728 1.00 0.00 O ATOM 1274 CB LEU A 83 2.258 -6.438 12.192 1.00 0.00 C ATOM 1275 CG LEU A 83 0.879 -6.447 11.531 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.910 -5.677 10.220 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.408 -7.876 11.301 1.00 0.00 C ATOM 0 H LEU A 83 1.257 -4.695 13.723 1.00 0.00 H new ATOM 0 HA LEU A 83 1.915 -7.516 14.020 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.773 -5.523 11.899 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.836 -7.271 11.792 1.00 0.00 H new ATOM 0 HG LEU A 83 0.173 -5.955 12.200 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.080 -5.694 9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.203 -4.645 10.411 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.629 -6.139 9.544 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.575 -7.864 10.830 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.115 -8.392 10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.346 -8.397 12.256 1.00 0.00 H new ATOM 1289 N GLU A 84 3.845 -5.514 15.258 1.00 0.00 N ATOM 1290 CA GLU A 84 5.154 -5.257 15.847 1.00 0.00 C ATOM 1291 C GLU A 84 6.107 -4.657 14.816 1.00 0.00 C ATOM 1292 O GLU A 84 7.282 -5.016 14.760 1.00 0.00 O ATOM 1293 CB GLU A 84 5.746 -6.550 16.413 1.00 0.00 C ATOM 1294 CG GLU A 84 4.928 -7.150 17.544 1.00 0.00 C ATOM 1295 CD GLU A 84 5.200 -8.628 17.740 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.387 -9.014 17.774 1.00 0.00 O ATOM 1297 OE2 GLU A 84 4.225 -9.400 17.860 1.00 0.00 O ATOM 0 H GLU A 84 3.078 -5.001 15.693 1.00 0.00 H new ATOM 0 HA GLU A 84 5.025 -4.540 16.657 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.832 -7.282 15.610 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.756 -6.351 16.772 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.149 -6.618 18.469 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.868 -7.004 17.338 1.00 0.00 H new ATOM 1304 N MET A 85 5.589 -3.742 14.003 1.00 0.00 N ATOM 1305 CA MET A 85 6.393 -3.091 12.975 1.00 0.00 C ATOM 1306 C MET A 85 7.307 -2.035 13.587 1.00 0.00 C ATOM 1307 O MET A 85 6.838 -1.052 14.160 1.00 0.00 O ATOM 1308 CB MET A 85 5.489 -2.451 11.920 1.00 0.00 C ATOM 1309 CG MET A 85 4.647 -3.456 11.150 1.00 0.00 C ATOM 1310 SD MET A 85 3.955 -2.766 9.635 1.00 0.00 S ATOM 1311 CE MET A 85 4.244 -4.110 8.488 1.00 0.00 C ATOM 0 H MET A 85 4.617 -3.435 14.036 1.00 0.00 H new ATOM 0 HA MET A 85 7.013 -3.850 12.499 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.829 -1.733 12.407 1.00 0.00 H new ATOM 0 HB3 MET A 85 6.105 -1.891 11.217 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.259 -4.323 10.903 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.836 -3.809 11.787 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.456 -3.705 7.499 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.094 -4.702 8.828 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.358 -4.743 8.439 1.00 0.00 H new ATOM 1321 N GLU A 86 8.614 -2.245 13.463 1.00 0.00 N ATOM 1322 CA GLU A 86 9.593 -1.310 14.005 1.00 0.00 C ATOM 1323 C GLU A 86 9.908 -0.207 12.999 1.00 0.00 C ATOM 1324 O GLU A 86 9.470 0.933 13.154 1.00 0.00 O ATOM 1325 CB GLU A 86 10.877 -2.048 14.390 1.00 0.00 C ATOM 1326 CG GLU A 86 10.862 -2.600 15.805 1.00 0.00 C ATOM 1327 CD GLU A 86 12.153 -3.307 16.169 1.00 0.00 C ATOM 1328 OE1 GLU A 86 12.489 -4.309 15.504 1.00 0.00 O ATOM 1329 OE2 GLU A 86 12.827 -2.858 17.120 1.00 0.00 O ATOM 0 H GLU A 86 9.019 -3.054 12.992 1.00 0.00 H new ATOM 0 HA GLU A 86 9.165 -0.852 14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.038 -2.869 13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.722 -1.368 14.283 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.688 -1.785 16.507 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.029 -3.295 15.911 1.00 0.00 H new ATOM 1336 N ASP A 87 10.671 -0.555 11.969 1.00 0.00 N ATOM 1337 CA ASP A 87 11.045 0.404 10.936 1.00 0.00 C ATOM 1338 C ASP A 87 11.832 -0.278 9.821 1.00 0.00 C ATOM 1339 O ASP A 87 12.299 -1.405 9.978 1.00 0.00 O ATOM 1340 CB ASP A 87 11.873 1.539 11.540 1.00 0.00 C ATOM 1341 CG ASP A 87 12.838 1.051 12.602 1.00 0.00 C ATOM 1342 OD1 ASP A 87 12.413 0.905 13.767 1.00 0.00 O ATOM 1343 OD2 ASP A 87 14.018 0.815 12.269 1.00 0.00 O ATOM 0 H ASP A 87 11.043 -1.494 11.827 1.00 0.00 H new ATOM 0 HA ASP A 87 10.131 0.818 10.511 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.431 2.038 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.204 2.281 11.975 1.00 0.00 H new ATOM 1348 N GLU A 88 11.974 0.414 8.695 1.00 0.00 N ATOM 1349 CA GLU A 88 12.703 -0.126 7.553 1.00 0.00 C ATOM 1350 C GLU A 88 12.344 -1.591 7.323 1.00 0.00 C ATOM 1351 O GLU A 88 13.159 -2.370 6.828 1.00 0.00 O ATOM 1352 CB GLU A 88 14.211 0.013 7.771 1.00 0.00 C ATOM 1353 CG GLU A 88 14.710 1.446 7.679 1.00 0.00 C ATOM 1354 CD GLU A 88 14.262 2.295 8.853 1.00 0.00 C ATOM 1355 OE1 GLU A 88 14.803 2.107 9.963 1.00 0.00 O ATOM 1356 OE2 GLU A 88 13.371 3.149 8.661 1.00 0.00 O ATOM 0 H GLU A 88 11.594 1.349 8.549 1.00 0.00 H new ATOM 0 HA GLU A 88 12.417 0.444 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.467 -0.390 8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.734 -0.593 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.799 1.445 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.350 1.894 6.753 1.00 0.00 H new ATOM 1363 N ASP A 89 11.120 -1.958 7.686 1.00 0.00 N ATOM 1364 CA ASP A 89 10.652 -3.329 7.519 1.00 0.00 C ATOM 1365 C ASP A 89 10.453 -3.659 6.043 1.00 0.00 C ATOM 1366 O ASP A 89 10.773 -2.856 5.166 1.00 0.00 O ATOM 1367 CB ASP A 89 9.345 -3.541 8.283 1.00 0.00 C ATOM 1368 CG ASP A 89 8.123 -3.312 7.415 1.00 0.00 C ATOM 1369 OD1 ASP A 89 8.220 -2.524 6.451 1.00 0.00 O ATOM 1370 OD2 ASP A 89 7.070 -3.921 7.700 1.00 0.00 O ATOM 0 H ASP A 89 10.434 -1.325 8.098 1.00 0.00 H new ATOM 0 HA ASP A 89 11.412 -3.998 7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.320 -4.556 8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.313 -2.864 9.137 1.00 0.00 H new ATOM 1375 N THR A 90 9.921 -4.848 5.774 1.00 0.00 N ATOM 1376 CA THR A 90 9.681 -5.286 4.405 1.00 0.00 C ATOM 1377 C THR A 90 8.246 -5.768 4.226 1.00 0.00 C ATOM 1378 O THR A 90 7.787 -6.658 4.942 1.00 0.00 O ATOM 1379 CB THR A 90 10.645 -6.417 3.999 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.000 -6.005 4.211 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.448 -6.798 2.540 1.00 0.00 C ATOM 0 H THR A 90 9.648 -5.525 6.487 1.00 0.00 H new ATOM 0 HA THR A 90 9.855 -4.423 3.762 1.00 0.00 H new ATOM 0 HB THR A 90 10.429 -7.288 4.618 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.607 -6.730 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.139 -7.598 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.424 -7.139 2.388 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.639 -5.930 1.908 1.00 0.00 H new ATOM 1389 N ILE A 91 7.543 -5.175 3.266 1.00 0.00 N ATOM 1390 CA ILE A 91 6.160 -5.547 2.993 1.00 0.00 C ATOM 1391 C ILE A 91 6.074 -6.519 1.821 1.00 0.00 C ATOM 1392 O ILE A 91 6.839 -6.420 0.861 1.00 0.00 O ATOM 1393 CB ILE A 91 5.296 -4.310 2.684 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.516 -3.230 3.745 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.826 -4.696 2.611 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.572 -2.054 3.615 1.00 0.00 C ATOM 0 H ILE A 91 7.908 -4.436 2.665 1.00 0.00 H new ATOM 0 HA ILE A 91 5.779 -6.031 3.892 1.00 0.00 H new ATOM 0 HB ILE A 91 5.595 -3.908 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.397 -3.674 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.543 -2.870 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.228 -3.811 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.683 -5.435 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.513 -5.118 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.785 -1.328 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.707 -1.585 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.543 -2.401 3.712 1.00 0.00 H new ATOM 1408 N ASP A 92 5.136 -7.456 1.905 1.00 0.00 N ATOM 1409 CA ASP A 92 4.947 -8.445 0.851 1.00 0.00 C ATOM 1410 C ASP A 92 3.696 -8.136 0.034 1.00 0.00 C ATOM 1411 O ASP A 92 2.597 -8.029 0.578 1.00 0.00 O ATOM 1412 CB ASP A 92 4.845 -9.849 1.450 1.00 0.00 C ATOM 1413 CG ASP A 92 6.199 -10.416 1.829 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.055 -9.642 2.307 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.403 -11.634 1.647 1.00 0.00 O ATOM 0 H ASP A 92 4.495 -7.551 2.692 1.00 0.00 H new ATOM 0 HA ASP A 92 5.812 -8.403 0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.207 -9.819 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.364 -10.513 0.732 1.00 0.00 H new ATOM 1420 N VAL A 93 3.872 -7.992 -1.276 1.00 0.00 N ATOM 1421 CA VAL A 93 2.758 -7.695 -2.168 1.00 0.00 C ATOM 1422 C VAL A 93 2.942 -8.372 -3.522 1.00 0.00 C ATOM 1423 O VAL A 93 4.060 -8.482 -4.026 1.00 0.00 O ATOM 1424 CB VAL A 93 2.599 -6.178 -2.383 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.486 -5.892 -3.379 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.333 -5.478 -1.058 1.00 0.00 C ATOM 0 H VAL A 93 4.775 -8.076 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 93 1.859 -8.083 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 93 3.530 -5.788 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.389 -4.815 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.723 -6.361 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.547 -6.295 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.223 -4.407 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.417 -5.871 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.168 -5.654 -0.380 1.00 0.00 H new ATOM 1436 N PHE A 94 1.837 -8.824 -4.107 1.00 0.00 N ATOM 1437 CA PHE A 94 1.877 -9.491 -5.403 1.00 0.00 C ATOM 1438 C PHE A 94 1.357 -8.571 -6.504 1.00 0.00 C ATOM 1439 O PHE A 94 0.168 -8.255 -6.552 1.00 0.00 O ATOM 1440 CB PHE A 94 1.049 -10.777 -5.364 1.00 0.00 C ATOM 1441 CG PHE A 94 1.456 -11.718 -4.267 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.224 -11.398 -2.939 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.070 -12.924 -4.564 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.598 -12.263 -1.928 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.446 -13.793 -3.557 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.209 -13.462 -2.237 1.00 0.00 C ATOM 0 H PHE A 94 0.904 -8.740 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 94 2.915 -9.742 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.003 -10.519 -5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.140 -11.288 -6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.746 -10.462 -2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.257 -13.188 -5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.412 -12.001 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 94 2.925 -14.730 -3.802 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.501 -14.140 -1.448 1.00 0.00 H new ATOM 1456 N GLN A 95 2.256 -8.146 -7.385 1.00 0.00 N ATOM 1457 CA GLN A 95 1.888 -7.261 -8.485 1.00 0.00 C ATOM 1458 C GLN A 95 1.594 -8.060 -9.751 1.00 0.00 C ATOM 1459 O GLN A 95 2.509 -8.461 -10.469 1.00 0.00 O ATOM 1460 CB GLN A 95 3.007 -6.253 -8.752 1.00 0.00 C ATOM 1461 CG GLN A 95 2.874 -4.969 -7.950 1.00 0.00 C ATOM 1462 CD GLN A 95 3.611 -3.806 -8.584 1.00 0.00 C ATOM 1463 OE1 GLN A 95 4.128 -3.915 -9.696 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.662 -2.682 -7.878 1.00 0.00 N ATOM 0 H GLN A 95 3.244 -8.399 -7.359 1.00 0.00 H new ATOM 0 HA GLN A 95 0.984 -6.723 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.966 -6.718 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.018 -6.008 -9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.819 -4.715 -7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.259 -5.132 -6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.220 -2.636 -6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.144 -1.865 -8.254 1.00 0.00 H new