USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=13 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 136:sc= -0.603 USER MOD Set 1.2: A 95 GLN : amide:sc= -0.89! C(o=-1.5!,f=-3.2!) USER MOD Single : A 24 HIS : no HD1:sc= -0.649 X(o=-0.65,f=-0.91) USER MOD Single : A 26 ASN : amide:sc= -0.024 K(o=-0.024,f=-0.87) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.807 K(o=-0.81,f=-4!) USER MOD Single : A 45 THR OG1 : rot -170:sc= -1.3 USER MOD Single : A 48 SER OG : rot 180:sc= -0.171 USER MOD Single : A 49 LYS NZ :NH3+ -140:sc= -0.648 (180deg=-2.49!) USER MOD Single : A 51 MET CE :methyl -124:sc=-0.00156 (180deg=-3.18!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot -53:sc= 0.528 USER MOD Single : A 58 GLN : amide:sc= -0.0703 K(o=-0.07,f=-0.59) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -177:sc= -2.73! (180deg=-2.81!) USER MOD Single : A 64 GLN : amide:sc= -0.562 K(o=-0.56,f=-2) USER MOD Single : A 72 GLN : amide:sc=-0.00115 X(o=-0.0011,f=-0.044) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00571 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00538 USER MOD Single : A 82 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.26) USER MOD Single : A 85 MET CE :methyl 173:sc= -2.39 (180deg=-2.61) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 307 N HIS A 24 7.364 8.014 12.867 1.00 0.00 N ATOM 308 CA HIS A 24 6.765 7.208 11.809 1.00 0.00 C ATOM 309 C HIS A 24 7.736 6.134 11.329 1.00 0.00 C ATOM 310 O HIS A 24 8.952 6.278 11.463 1.00 0.00 O ATOM 311 CB HIS A 24 6.348 8.096 10.636 1.00 0.00 C ATOM 312 CG HIS A 24 5.627 9.340 11.054 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.478 9.324 11.817 1.00 0.00 N ATOM 314 CD2 HIS A 24 5.897 10.644 10.812 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.073 10.564 12.025 1.00 0.00 C ATOM 316 NE2 HIS A 24 4.917 11.384 11.426 1.00 0.00 N ATOM 0 HA HIS A 24 5.881 6.718 12.216 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.236 8.374 10.068 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.707 7.522 9.966 1.00 0.00 H new ATOM 0 HD2 HIS A 24 6.729 11.031 10.242 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.200 10.857 12.589 1.00 0.00 H new ATOM 0 HE2 HIS A 24 4.852 12.402 11.420 1.00 0.00 H new ATOM 325 N ILE A 25 7.192 5.058 10.770 1.00 0.00 N ATOM 326 CA ILE A 25 8.011 3.961 10.270 1.00 0.00 C ATOM 327 C ILE A 25 7.910 3.846 8.753 1.00 0.00 C ATOM 328 O ILE A 25 6.921 4.264 8.153 1.00 0.00 O ATOM 329 CB ILE A 25 7.600 2.618 10.903 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.169 2.255 10.499 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.727 2.686 12.418 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.630 1.036 11.213 1.00 0.00 C ATOM 0 H ILE A 25 6.188 4.923 10.652 1.00 0.00 H new ATOM 0 HA ILE A 25 9.041 4.185 10.547 1.00 0.00 H new ATOM 0 HB ILE A 25 8.270 1.840 10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.516 3.104 10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.137 2.080 9.424 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.433 1.730 12.851 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.761 2.904 12.687 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.078 3.473 12.803 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.612 0.838 10.877 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.260 0.175 10.989 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.629 1.215 12.288 1.00 0.00 H new ATOM 344 N ASN A 26 8.941 3.276 8.138 1.00 0.00 N ATOM 345 CA ASN A 26 8.968 3.105 6.690 1.00 0.00 C ATOM 346 C ASN A 26 8.993 1.626 6.317 1.00 0.00 C ATOM 347 O ASN A 26 9.780 0.850 6.861 1.00 0.00 O ATOM 348 CB ASN A 26 10.187 3.813 6.095 1.00 0.00 C ATOM 349 CG ASN A 26 10.387 5.202 6.670 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.424 5.921 6.935 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.644 5.585 6.867 1.00 0.00 N ATOM 0 H ASN A 26 9.769 2.925 8.620 1.00 0.00 H new ATOM 0 HA ASN A 26 8.061 3.550 6.280 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.078 3.214 6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.071 3.884 5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.841 6.508 7.253 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.412 4.956 6.633 1.00 0.00 H new ATOM 358 N LEU A 27 8.127 1.242 5.386 1.00 0.00 N ATOM 359 CA LEU A 27 8.049 -0.145 4.939 1.00 0.00 C ATOM 360 C LEU A 27 8.340 -0.252 3.445 1.00 0.00 C ATOM 361 O LEU A 27 7.772 0.481 2.636 1.00 0.00 O ATOM 362 CB LEU A 27 6.666 -0.723 5.243 1.00 0.00 C ATOM 363 CG LEU A 27 5.984 -0.200 6.508 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.678 -0.939 6.754 1.00 0.00 C ATOM 365 CD2 LEU A 27 6.910 -0.335 7.708 1.00 0.00 C ATOM 0 H LEU A 27 7.469 1.871 4.926 1.00 0.00 H new ATOM 0 HA LEU A 27 8.802 -0.718 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.015 -0.521 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.757 -1.806 5.324 1.00 0.00 H new ATOM 0 HG LEU A 27 5.758 0.857 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.207 -0.554 7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.010 -0.790 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.879 -2.003 6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.408 0.042 8.599 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.167 -1.384 7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.819 0.240 7.533 1.00 0.00 H new ATOM 377 N LYS A 28 9.228 -1.173 3.086 1.00 0.00 N ATOM 378 CA LYS A 28 9.593 -1.381 1.689 1.00 0.00 C ATOM 379 C LYS A 28 8.759 -2.497 1.069 1.00 0.00 C ATOM 380 O LYS A 28 8.843 -3.653 1.485 1.00 0.00 O ATOM 381 CB LYS A 28 11.081 -1.718 1.575 1.00 0.00 C ATOM 382 CG LYS A 28 11.997 -0.553 1.909 1.00 0.00 C ATOM 383 CD LYS A 28 13.389 -1.029 2.289 1.00 0.00 C ATOM 384 CE LYS A 28 14.064 -0.065 3.253 1.00 0.00 C ATOM 385 NZ LYS A 28 14.704 1.075 2.540 1.00 0.00 N ATOM 0 H LYS A 28 9.708 -1.788 3.743 1.00 0.00 H new ATOM 0 HA LYS A 28 9.393 -0.458 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.308 -2.550 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.292 -2.055 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.062 0.117 1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.571 0.022 2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.325 -2.017 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.997 -1.132 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.328 0.316 3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.817 -0.599 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.153 1.709 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.425 0.713 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.982 1.600 2.007 1.00 0.00 H new ATOM 399 N VAL A 29 7.955 -2.144 0.071 1.00 0.00 N ATOM 400 CA VAL A 29 7.107 -3.117 -0.608 1.00 0.00 C ATOM 401 C VAL A 29 7.784 -3.652 -1.865 1.00 0.00 C ATOM 402 O VAL A 29 8.161 -2.888 -2.753 1.00 0.00 O ATOM 403 CB VAL A 29 5.747 -2.505 -0.992 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.800 -3.583 -1.498 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.142 -1.767 0.193 1.00 0.00 C ATOM 0 H VAL A 29 7.873 -1.192 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 29 6.943 -3.937 0.091 1.00 0.00 H new ATOM 0 HB VAL A 29 5.905 -1.787 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.844 -3.132 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.232 -4.064 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.645 -4.327 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.181 -1.341 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.997 -2.463 1.019 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.814 -0.968 0.506 1.00 0.00 H new ATOM 415 N ALA A 30 7.934 -4.971 -1.935 1.00 0.00 N ATOM 416 CA ALA A 30 8.562 -5.609 -3.084 1.00 0.00 C ATOM 417 C ALA A 30 7.541 -6.388 -3.906 1.00 0.00 C ATOM 418 O ALA A 30 6.846 -7.260 -3.386 1.00 0.00 O ATOM 419 CB ALA A 30 9.687 -6.527 -2.629 1.00 0.00 C ATOM 0 H ALA A 30 7.629 -5.618 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 30 8.980 -4.827 -3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.147 -6.997 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.436 -5.946 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.285 -7.297 -1.971 1.00 0.00 H new ATOM 479 N VAL A 36 10.726 -1.300 -6.374 1.00 0.00 N ATOM 480 CA VAL A 36 10.577 -1.217 -4.926 1.00 0.00 C ATOM 481 C VAL A 36 9.874 0.074 -4.519 1.00 0.00 C ATOM 482 O VAL A 36 10.355 1.171 -4.802 1.00 0.00 O ATOM 483 CB VAL A 36 11.941 -1.291 -4.216 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.796 -0.948 -2.741 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.559 -2.671 -4.392 1.00 0.00 C ATOM 0 HA VAL A 36 9.970 -2.070 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 36 12.607 -0.558 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.771 -1.006 -2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.400 0.062 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.113 -1.654 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.523 -2.706 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.896 -3.424 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.701 -2.873 -5.454 1.00 0.00 H new ATOM 495 N VAL A 37 8.733 -0.065 -3.853 1.00 0.00 N ATOM 496 CA VAL A 37 7.964 1.090 -3.405 1.00 0.00 C ATOM 497 C VAL A 37 7.901 1.151 -1.883 1.00 0.00 C ATOM 498 O VAL A 37 7.468 0.201 -1.231 1.00 0.00 O ATOM 499 CB VAL A 37 6.529 1.061 -3.966 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.861 2.416 -3.794 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.539 0.644 -5.429 1.00 0.00 C ATOM 0 H VAL A 37 8.320 -0.966 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 37 8.476 1.976 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 37 5.952 0.325 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.849 2.376 -4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.821 2.670 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.434 3.174 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.518 0.629 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.131 1.355 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.976 -0.351 -5.521 1.00 0.00 H new ATOM 511 N GLN A 38 8.335 2.276 -1.323 1.00 0.00 N ATOM 512 CA GLN A 38 8.328 2.461 0.123 1.00 0.00 C ATOM 513 C GLN A 38 7.091 3.235 0.567 1.00 0.00 C ATOM 514 O GLN A 38 6.411 3.858 -0.248 1.00 0.00 O ATOM 515 CB GLN A 38 9.592 3.198 0.570 1.00 0.00 C ATOM 516 CG GLN A 38 10.871 2.412 0.331 1.00 0.00 C ATOM 517 CD GLN A 38 11.463 2.664 -1.042 1.00 0.00 C ATOM 518 OE1 GLN A 38 11.137 1.972 -2.008 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.338 3.658 -1.137 1.00 0.00 N ATOM 0 H GLN A 38 8.696 3.072 -1.849 1.00 0.00 H new ATOM 0 HA GLN A 38 8.305 1.476 0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.655 4.148 0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.511 3.430 1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.604 2.678 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.665 1.348 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.579 4.206 -0.311 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.769 3.874 -2.036 1.00 0.00 H new ATOM 528 N PHE A 39 6.805 3.189 1.864 1.00 0.00 N ATOM 529 CA PHE A 39 5.648 3.885 2.416 1.00 0.00 C ATOM 530 C PHE A 39 5.867 4.219 3.889 1.00 0.00 C ATOM 531 O PHE A 39 6.357 3.394 4.659 1.00 0.00 O ATOM 532 CB PHE A 39 4.389 3.031 2.257 1.00 0.00 C ATOM 533 CG PHE A 39 4.043 2.734 0.826 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.699 1.729 0.134 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.060 3.460 0.172 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.383 1.454 -1.183 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.739 3.190 -1.145 1.00 0.00 C ATOM 538 CZ PHE A 39 3.401 2.185 -1.823 1.00 0.00 C ATOM 0 H PHE A 39 7.358 2.678 2.552 1.00 0.00 H new ATOM 0 HA PHE A 39 5.518 4.817 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.527 2.091 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.550 3.544 2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.467 1.153 0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.539 4.246 0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.903 0.669 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.972 3.764 -1.643 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.151 1.971 -2.852 1.00 0.00 H new ATOM 548 N LYS A 40 5.499 5.437 4.273 1.00 0.00 N ATOM 549 CA LYS A 40 5.653 5.883 5.653 1.00 0.00 C ATOM 550 C LYS A 40 4.299 6.211 6.273 1.00 0.00 C ATOM 551 O LYS A 40 3.473 6.888 5.661 1.00 0.00 O ATOM 552 CB LYS A 40 6.565 7.110 5.715 1.00 0.00 C ATOM 553 CG LYS A 40 6.569 7.798 7.070 1.00 0.00 C ATOM 554 CD LYS A 40 5.503 8.878 7.149 1.00 0.00 C ATOM 555 CE LYS A 40 5.910 10.119 6.369 1.00 0.00 C ATOM 556 NZ LYS A 40 4.731 10.948 5.991 1.00 0.00 N ATOM 0 H LYS A 40 5.092 6.133 3.648 1.00 0.00 H new ATOM 0 HA LYS A 40 6.106 5.072 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.583 6.809 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.250 7.825 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.400 7.060 7.854 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.549 8.239 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.562 8.492 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.328 9.143 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.597 10.716 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.449 9.822 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.050 11.784 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.088 10.386 5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.231 11.253 6.850 1.00 0.00 H new ATOM 570 N ILE A 41 4.079 5.728 7.491 1.00 0.00 N ATOM 571 CA ILE A 41 2.825 5.973 8.195 1.00 0.00 C ATOM 572 C ILE A 41 3.048 6.059 9.701 1.00 0.00 C ATOM 573 O ILE A 41 4.176 5.949 10.180 1.00 0.00 O ATOM 574 CB ILE A 41 1.791 4.870 7.902 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.157 3.586 8.648 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.701 4.613 6.405 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.238 2.425 8.339 1.00 0.00 C ATOM 0 H ILE A 41 4.752 5.165 8.011 1.00 0.00 H new ATOM 0 HA ILE A 41 2.440 6.926 7.833 1.00 0.00 H new ATOM 0 HB ILE A 41 0.815 5.205 8.253 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.180 3.307 8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.136 3.780 9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.966 3.831 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.398 5.528 5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.674 4.296 6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.557 1.548 8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.217 2.685 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.277 2.204 7.272 1.00 0.00 H new ATOM 589 N LYS A 42 1.963 6.255 10.443 1.00 0.00 N ATOM 590 CA LYS A 42 2.038 6.352 11.896 1.00 0.00 C ATOM 591 C LYS A 42 1.798 4.993 12.546 1.00 0.00 C ATOM 592 O LYS A 42 1.131 4.130 11.974 1.00 0.00 O ATOM 593 CB LYS A 42 1.013 7.364 12.413 1.00 0.00 C ATOM 594 CG LYS A 42 0.938 8.633 11.581 1.00 0.00 C ATOM 595 CD LYS A 42 -0.245 9.497 11.986 1.00 0.00 C ATOM 596 CE LYS A 42 -0.458 10.644 11.010 1.00 0.00 C ATOM 597 NZ LYS A 42 0.398 11.817 11.338 1.00 0.00 N ATOM 0 H LYS A 42 1.022 6.350 10.062 1.00 0.00 H new ATOM 0 HA LYS A 42 3.040 6.690 12.161 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.030 6.894 12.433 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.262 7.628 13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.861 9.201 11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.855 8.373 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.146 8.885 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.080 9.896 12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.238 10.305 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.506 10.944 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.224 12.577 10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.170 12.156 12.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.399 11.538 11.299 1.00 0.00 H new ATOM 611 N ARG A 43 2.344 4.810 13.743 1.00 0.00 N ATOM 612 CA ARG A 43 2.189 3.556 14.470 1.00 0.00 C ATOM 613 C ARG A 43 0.718 3.278 14.767 1.00 0.00 C ATOM 614 O ARG A 43 0.293 2.124 14.828 1.00 0.00 O ATOM 615 CB ARG A 43 2.984 3.597 15.776 1.00 0.00 C ATOM 616 CG ARG A 43 4.482 3.423 15.582 1.00 0.00 C ATOM 617 CD ARG A 43 5.188 3.162 16.903 1.00 0.00 C ATOM 618 NE ARG A 43 5.195 1.743 17.249 1.00 0.00 N ATOM 619 CZ ARG A 43 5.817 0.815 16.530 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.479 1.154 15.433 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.778 -0.456 16.909 1.00 0.00 N ATOM 0 H ARG A 43 2.898 5.514 14.230 1.00 0.00 H new ATOM 0 HA ARG A 43 2.574 2.752 13.843 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.799 4.548 16.275 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.618 2.813 16.439 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.668 2.594 14.899 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.896 4.318 15.117 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.214 3.526 16.844 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.695 3.726 17.695 1.00 0.00 H new ATOM 0 HE ARG A 43 4.695 1.449 18.088 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.512 2.130 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.955 0.439 14.883 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.270 -0.721 17.753 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.256 -1.168 16.356 1.00 0.00 H new ATOM 635 N HIS A 44 -0.055 4.344 14.951 1.00 0.00 N ATOM 636 CA HIS A 44 -1.479 4.215 15.241 1.00 0.00 C ATOM 637 C HIS A 44 -2.308 4.364 13.969 1.00 0.00 C ATOM 638 O HIS A 44 -3.539 4.374 14.015 1.00 0.00 O ATOM 639 CB HIS A 44 -1.908 5.261 16.269 1.00 0.00 C ATOM 640 CG HIS A 44 -2.188 6.606 15.674 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.315 6.879 14.927 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.481 7.760 15.720 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.288 8.141 14.538 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.186 8.698 15.006 1.00 0.00 N ATOM 0 H HIS A 44 0.281 5.306 14.904 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.653 3.220 15.652 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.801 4.907 16.784 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.126 5.361 17.021 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.054 6.211 14.709 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.538 7.914 16.224 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.040 8.634 13.939 1.00 0.00 H new ATOM 653 N THR A 45 -1.626 4.480 12.834 1.00 0.00 N ATOM 654 CA THR A 45 -2.300 4.631 11.550 1.00 0.00 C ATOM 655 C THR A 45 -2.448 3.287 10.846 1.00 0.00 C ATOM 656 O THR A 45 -1.491 2.525 10.702 1.00 0.00 O ATOM 657 CB THR A 45 -1.538 5.600 10.626 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.799 6.953 11.015 1.00 0.00 O ATOM 659 CG2 THR A 45 -1.944 5.396 9.175 1.00 0.00 C ATOM 0 H THR A 45 -0.608 4.472 12.778 1.00 0.00 H new ATOM 0 HA THR A 45 -3.288 5.041 11.758 1.00 0.00 H new ATOM 0 HB THR A 45 -0.472 5.395 10.720 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.444 7.563 10.335 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.393 6.091 8.542 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.717 4.373 8.874 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.013 5.577 9.068 1.00 0.00 H new ATOM 667 N PRO A 46 -3.675 2.986 10.394 1.00 0.00 N ATOM 668 CA PRO A 46 -3.977 1.733 9.696 1.00 0.00 C ATOM 669 C PRO A 46 -3.346 1.676 8.309 1.00 0.00 C ATOM 670 O PRO A 46 -3.142 2.707 7.665 1.00 0.00 O ATOM 671 CB PRO A 46 -5.504 1.746 9.589 1.00 0.00 C ATOM 672 CG PRO A 46 -5.875 3.188 9.636 1.00 0.00 C ATOM 673 CD PRO A 46 -4.862 3.847 10.530 1.00 0.00 C ATOM 0 HA PRO A 46 -3.581 0.866 10.224 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.840 1.281 8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.963 1.192 10.408 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.860 3.628 8.639 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.884 3.319 10.027 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.654 4.870 10.216 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.208 3.894 11.563 1.00 0.00 H new ATOM 681 N LEU A 47 -3.038 0.467 7.853 1.00 0.00 N ATOM 682 CA LEU A 47 -2.430 0.275 6.541 1.00 0.00 C ATOM 683 C LEU A 47 -3.417 0.617 5.429 1.00 0.00 C ATOM 684 O LEU A 47 -3.039 0.728 4.263 1.00 0.00 O ATOM 685 CB LEU A 47 -1.949 -1.168 6.386 1.00 0.00 C ATOM 686 CG LEU A 47 -0.991 -1.676 7.464 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.790 -3.178 7.336 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.343 -0.948 7.378 1.00 0.00 C ATOM 0 H LEU A 47 -3.199 -0.396 8.373 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.575 0.946 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.822 -1.821 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.458 -1.264 5.418 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.432 -1.472 8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.105 -3.521 8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.749 -3.684 7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.372 -3.407 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.012 -1.322 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.789 -1.120 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.184 0.121 7.521 1.00 0.00 H new ATOM 700 N SER A 48 -4.682 0.784 5.798 1.00 0.00 N ATOM 701 CA SER A 48 -5.724 1.111 4.832 1.00 0.00 C ATOM 702 C SER A 48 -5.227 2.148 3.828 1.00 0.00 C ATOM 703 O SER A 48 -5.504 2.054 2.632 1.00 0.00 O ATOM 704 CB SER A 48 -6.969 1.636 5.550 1.00 0.00 C ATOM 705 OG SER A 48 -6.617 2.518 6.602 1.00 0.00 O ATOM 0 H SER A 48 -5.011 0.698 6.760 1.00 0.00 H new ATOM 0 HA SER A 48 -5.982 0.201 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.613 2.153 4.838 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.542 0.799 5.949 1.00 0.00 H new ATOM 0 HG SER A 48 -7.430 2.841 7.044 1.00 0.00 H new ATOM 711 N LYS A 49 -4.492 3.137 4.324 1.00 0.00 N ATOM 712 CA LYS A 49 -3.954 4.192 3.473 1.00 0.00 C ATOM 713 C LYS A 49 -2.732 3.700 2.704 1.00 0.00 C ATOM 714 O LYS A 49 -2.630 3.895 1.492 1.00 0.00 O ATOM 715 CB LYS A 49 -3.582 5.414 4.315 1.00 0.00 C ATOM 716 CG LYS A 49 -4.758 6.021 5.059 1.00 0.00 C ATOM 717 CD LYS A 49 -4.307 6.762 6.307 1.00 0.00 C ATOM 718 CE LYS A 49 -3.576 8.049 5.958 1.00 0.00 C ATOM 719 NZ LYS A 49 -2.180 7.789 5.508 1.00 0.00 N ATOM 0 H LYS A 49 -4.255 3.230 5.312 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.724 4.474 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.815 5.129 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.143 6.172 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.291 6.707 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.460 5.234 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.173 6.991 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.653 6.119 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.119 8.574 5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.561 8.706 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.547 8.513 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.879 6.849 5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.138 7.823 4.469 1.00 0.00 H new ATOM 733 N LEU A 50 -1.809 3.062 3.414 1.00 0.00 N ATOM 734 CA LEU A 50 -0.594 2.541 2.797 1.00 0.00 C ATOM 735 C LEU A 50 -0.924 1.707 1.563 1.00 0.00 C ATOM 736 O LEU A 50 -0.369 1.926 0.487 1.00 0.00 O ATOM 737 CB LEU A 50 0.190 1.696 3.803 1.00 0.00 C ATOM 738 CG LEU A 50 1.054 0.580 3.213 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.923 1.117 2.086 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.914 -0.057 4.295 1.00 0.00 C ATOM 0 H LEU A 50 -1.878 2.893 4.417 1.00 0.00 H new ATOM 0 HA LEU A 50 0.019 3.388 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.833 2.359 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.518 1.250 4.502 1.00 0.00 H new ATOM 0 HG LEU A 50 0.395 -0.185 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.531 0.309 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.288 1.525 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.574 1.902 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.522 -0.849 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.564 0.699 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.272 -0.478 5.069 1.00 0.00 H new ATOM 752 N MET A 51 -1.834 0.751 1.727 1.00 0.00 N ATOM 753 CA MET A 51 -2.241 -0.113 0.625 1.00 0.00 C ATOM 754 C MET A 51 -2.755 0.711 -0.551 1.00 0.00 C ATOM 755 O MET A 51 -2.289 0.558 -1.680 1.00 0.00 O ATOM 756 CB MET A 51 -3.322 -1.091 1.089 1.00 0.00 C ATOM 757 CG MET A 51 -2.848 -2.055 2.165 1.00 0.00 C ATOM 758 SD MET A 51 -4.187 -2.611 3.237 1.00 0.00 S ATOM 759 CE MET A 51 -3.404 -3.989 4.070 1.00 0.00 C ATOM 0 H MET A 51 -2.303 0.556 2.612 1.00 0.00 H new ATOM 0 HA MET A 51 -1.368 -0.677 0.296 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.173 -0.526 1.469 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.676 -1.663 0.231 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.382 -2.920 1.693 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.081 -1.571 2.769 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.000 -4.890 3.923 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.406 -4.143 3.659 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.328 -3.774 5.136 1.00 0.00 H new ATOM 769 N LYS A 52 -3.718 1.585 -0.279 1.00 0.00 N ATOM 770 CA LYS A 52 -4.296 2.434 -1.314 1.00 0.00 C ATOM 771 C LYS A 52 -3.205 3.177 -2.079 1.00 0.00 C ATOM 772 O LYS A 52 -3.177 3.162 -3.309 1.00 0.00 O ATOM 773 CB LYS A 52 -5.272 3.437 -0.694 1.00 0.00 C ATOM 774 CG LYS A 52 -6.700 2.926 -0.615 1.00 0.00 C ATOM 775 CD LYS A 52 -7.688 4.062 -0.411 1.00 0.00 C ATOM 776 CE LYS A 52 -7.176 5.070 0.606 1.00 0.00 C ATOM 777 NZ LYS A 52 -8.077 6.250 0.719 1.00 0.00 N ATOM 0 H LYS A 52 -4.115 1.724 0.650 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.836 1.796 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.930 3.692 0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.256 4.356 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.946 2.388 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.788 2.214 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.869 4.563 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.644 3.659 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.084 4.589 1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.178 5.401 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.693 6.914 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.145 6.724 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.023 5.937 1.018 1.00 0.00 H new ATOM 791 N ALA A 53 -2.308 3.825 -1.343 1.00 0.00 N ATOM 792 CA ALA A 53 -1.214 4.570 -1.952 1.00 0.00 C ATOM 793 C ALA A 53 -0.347 3.663 -2.819 1.00 0.00 C ATOM 794 O ALA A 53 0.350 4.129 -3.720 1.00 0.00 O ATOM 795 CB ALA A 53 -0.370 5.241 -0.879 1.00 0.00 C ATOM 0 H ALA A 53 -2.318 3.849 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.645 5.339 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.443 5.794 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.991 5.928 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.043 4.483 -0.214 1.00 0.00 H new ATOM 801 N TYR A 54 -0.395 2.365 -2.540 1.00 0.00 N ATOM 802 CA TYR A 54 0.389 1.392 -3.292 1.00 0.00 C ATOM 803 C TYR A 54 -0.371 0.918 -4.527 1.00 0.00 C ATOM 804 O TYR A 54 0.227 0.445 -5.494 1.00 0.00 O ATOM 805 CB TYR A 54 0.742 0.196 -2.406 1.00 0.00 C ATOM 806 CG TYR A 54 1.485 -0.900 -3.137 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.866 -0.857 -3.276 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.805 -1.979 -3.687 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.549 -1.855 -3.943 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.479 -2.983 -4.355 1.00 0.00 C ATOM 811 CZ TYR A 54 2.851 -2.917 -4.481 1.00 0.00 C ATOM 812 OH TYR A 54 3.527 -3.914 -5.145 1.00 0.00 O ATOM 0 H TYR A 54 -0.968 1.962 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 54 1.309 1.878 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.350 0.541 -1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.175 -0.216 -1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.416 -0.028 -2.855 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.269 -2.034 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.623 -1.805 -4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.935 -3.815 -4.776 1.00 0.00 H new ATOM 0 HH TYR A 54 3.179 -4.787 -4.866 1.00 0.00 H new ATOM 822 N CYS A 55 -1.692 1.049 -4.487 1.00 0.00 N ATOM 823 CA CYS A 55 -2.536 0.635 -5.602 1.00 0.00 C ATOM 824 C CYS A 55 -2.682 1.760 -6.621 1.00 0.00 C ATOM 825 O CYS A 55 -2.775 1.513 -7.823 1.00 0.00 O ATOM 826 CB CYS A 55 -3.915 0.208 -5.094 1.00 0.00 C ATOM 827 SG CYS A 55 -5.058 1.582 -4.821 1.00 0.00 S ATOM 0 H CYS A 55 -2.202 1.439 -3.694 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.058 -0.214 -6.091 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.358 -0.482 -5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.793 -0.340 -4.160 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.496 2.469 -4.054 1.00 0.00 H new ATOM 833 N GLU A 56 -2.702 2.996 -6.132 1.00 0.00 N ATOM 834 CA GLU A 56 -2.839 4.159 -7.001 1.00 0.00 C ATOM 835 C GLU A 56 -1.567 4.382 -7.815 1.00 0.00 C ATOM 836 O GLU A 56 -1.624 4.623 -9.021 1.00 0.00 O ATOM 837 CB GLU A 56 -3.154 5.407 -6.174 1.00 0.00 C ATOM 838 CG GLU A 56 -1.919 6.114 -5.644 1.00 0.00 C ATOM 839 CD GLU A 56 -2.255 7.371 -4.864 1.00 0.00 C ATOM 840 OE1 GLU A 56 -2.529 7.261 -3.651 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.244 8.464 -5.469 1.00 0.00 O ATOM 0 H GLU A 56 -2.625 3.218 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.663 3.971 -7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.726 6.104 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.789 5.125 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.361 5.431 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.267 6.372 -6.478 1.00 0.00 H new ATOM 848 N ARG A 57 -0.422 4.302 -7.146 1.00 0.00 N ATOM 849 CA ARG A 57 0.864 4.497 -7.805 1.00 0.00 C ATOM 850 C ARG A 57 0.929 3.711 -9.112 1.00 0.00 C ATOM 851 O ARG A 57 1.266 4.260 -10.160 1.00 0.00 O ATOM 852 CB ARG A 57 2.005 4.068 -6.882 1.00 0.00 C ATOM 853 CG ARG A 57 3.337 4.719 -7.217 1.00 0.00 C ATOM 854 CD ARG A 57 4.303 4.649 -6.044 1.00 0.00 C ATOM 855 NE ARG A 57 5.249 5.761 -6.047 1.00 0.00 N ATOM 856 CZ ARG A 57 6.209 5.908 -6.953 1.00 0.00 C ATOM 857 NH1 ARG A 57 6.349 5.016 -7.925 1.00 0.00 N ATOM 858 NH2 ARG A 57 7.031 6.947 -6.889 1.00 0.00 N ATOM 0 H ARG A 57 -0.358 4.103 -6.148 1.00 0.00 H new ATOM 0 HA ARG A 57 0.970 5.558 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.740 4.311 -5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.116 2.985 -6.935 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.778 4.224 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.175 5.761 -7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.740 4.654 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.851 3.707 -6.081 1.00 0.00 H new ATOM 0 HE ARG A 57 5.168 6.464 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.719 4.216 -7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.087 5.131 -8.620 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.926 7.635 -6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.768 7.058 -7.586 1.00 0.00 H new ATOM 872 N GLN A 58 0.605 2.424 -9.039 1.00 0.00 N ATOM 873 CA GLN A 58 0.629 1.563 -10.216 1.00 0.00 C ATOM 874 C GLN A 58 -0.697 1.632 -10.967 1.00 0.00 C ATOM 875 O GLN A 58 -0.740 1.467 -12.185 1.00 0.00 O ATOM 876 CB GLN A 58 0.925 0.118 -9.811 1.00 0.00 C ATOM 877 CG GLN A 58 2.111 -0.019 -8.870 1.00 0.00 C ATOM 878 CD GLN A 58 3.343 0.706 -9.374 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.602 0.752 -10.577 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.112 1.279 -8.455 1.00 0.00 N ATOM 0 H GLN A 58 0.323 1.955 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 58 1.420 1.916 -10.878 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.042 -0.305 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.114 -0.471 -10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.839 0.373 -7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.345 -1.075 -8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.860 1.217 -7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.954 1.781 -8.736 1.00 0.00 H new ATOM 889 N GLY A 59 -1.777 1.876 -10.231 1.00 0.00 N ATOM 890 CA GLY A 59 -3.089 1.961 -10.844 1.00 0.00 C ATOM 891 C GLY A 59 -3.821 0.634 -10.834 1.00 0.00 C ATOM 892 O GLY A 59 -4.586 0.331 -11.751 1.00 0.00 O ATOM 0 H GLY A 59 -1.766 2.016 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.685 2.705 -10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.984 2.307 -11.872 1.00 0.00 H new ATOM 896 N LEU A 60 -3.587 -0.161 -9.796 1.00 0.00 N ATOM 897 CA LEU A 60 -4.229 -1.465 -9.670 1.00 0.00 C ATOM 898 C LEU A 60 -5.385 -1.409 -8.677 1.00 0.00 C ATOM 899 O LEU A 60 -5.615 -0.386 -8.034 1.00 0.00 O ATOM 900 CB LEU A 60 -3.210 -2.517 -9.226 1.00 0.00 C ATOM 901 CG LEU A 60 -1.793 -2.352 -9.775 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.772 -2.908 -8.794 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.662 -3.036 -11.128 1.00 0.00 C ATOM 0 H LEU A 60 -2.957 0.074 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.626 -1.743 -10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.160 -2.508 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.580 -3.499 -9.520 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.597 -1.288 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.231 -2.782 -9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.849 -2.373 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.966 -3.968 -8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.647 -2.908 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.878 -4.099 -11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.367 -2.591 -11.830 1.00 0.00 H new ATOM 915 N SER A 61 -6.109 -2.518 -8.556 1.00 0.00 N ATOM 916 CA SER A 61 -7.242 -2.595 -7.643 1.00 0.00 C ATOM 917 C SER A 61 -6.821 -3.192 -6.303 1.00 0.00 C ATOM 918 O SER A 61 -6.077 -4.171 -6.254 1.00 0.00 O ATOM 919 CB SER A 61 -8.364 -3.434 -8.257 1.00 0.00 C ATOM 920 OG SER A 61 -9.251 -2.626 -9.011 1.00 0.00 O ATOM 0 H SER A 61 -5.930 -3.375 -9.079 1.00 0.00 H new ATOM 0 HA SER A 61 -7.607 -1.582 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.937 -4.206 -8.897 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.915 -3.944 -7.467 1.00 0.00 H new ATOM 0 HG SER A 61 -9.958 -3.186 -9.394 1.00 0.00 H new ATOM 926 N MET A 62 -7.302 -2.593 -5.218 1.00 0.00 N ATOM 927 CA MET A 62 -6.977 -3.066 -3.878 1.00 0.00 C ATOM 928 C MET A 62 -7.226 -4.566 -3.754 1.00 0.00 C ATOM 929 O MET A 62 -6.368 -5.310 -3.279 1.00 0.00 O ATOM 930 CB MET A 62 -7.803 -2.312 -2.834 1.00 0.00 C ATOM 931 CG MET A 62 -7.192 -2.337 -1.442 1.00 0.00 C ATOM 932 SD MET A 62 -7.878 -1.069 -0.360 1.00 0.00 S ATOM 933 CE MET A 62 -6.401 -0.510 0.485 1.00 0.00 C ATOM 0 H MET A 62 -7.918 -1.780 -5.241 1.00 0.00 H new ATOM 0 HA MET A 62 -5.918 -2.876 -3.700 1.00 0.00 H new ATOM 0 HB2 MET A 62 -7.918 -1.276 -3.153 1.00 0.00 H new ATOM 0 HB3 MET A 62 -8.802 -2.745 -2.791 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.355 -3.318 -0.995 1.00 0.00 H new ATOM 0 HG3 MET A 62 -6.114 -2.198 -1.520 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.669 0.240 1.229 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.922 -1.356 0.978 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.712 -0.074 -0.238 1.00 0.00 H new ATOM 943 N ARG A 63 -8.405 -5.002 -4.186 1.00 0.00 N ATOM 944 CA ARG A 63 -8.767 -6.413 -4.122 1.00 0.00 C ATOM 945 C ARG A 63 -7.879 -7.245 -5.043 1.00 0.00 C ATOM 946 O ARG A 63 -7.750 -8.456 -4.869 1.00 0.00 O ATOM 947 CB ARG A 63 -10.236 -6.603 -4.504 1.00 0.00 C ATOM 948 CG ARG A 63 -10.560 -6.154 -5.919 1.00 0.00 C ATOM 949 CD ARG A 63 -11.856 -6.774 -6.418 1.00 0.00 C ATOM 950 NE ARG A 63 -13.019 -5.961 -6.075 1.00 0.00 N ATOM 951 CZ ARG A 63 -13.409 -4.903 -6.778 1.00 0.00 C ATOM 952 NH1 ARG A 63 -12.731 -4.533 -7.856 1.00 0.00 N ATOM 953 NH2 ARG A 63 -14.478 -4.213 -6.403 1.00 0.00 N ATOM 0 H ARG A 63 -9.125 -4.399 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.618 -6.754 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.497 -7.656 -4.397 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.860 -6.047 -3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.641 -5.067 -5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.743 -6.430 -6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.806 -6.897 -7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.970 -7.769 -5.989 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.562 -6.219 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.908 -5.061 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.032 -3.721 -8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.002 -4.494 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.776 -3.401 -6.943 1.00 0.00 H new ATOM 967 N GLN A 64 -7.271 -6.585 -6.024 1.00 0.00 N ATOM 968 CA GLN A 64 -6.397 -7.264 -6.973 1.00 0.00 C ATOM 969 C GLN A 64 -5.059 -7.611 -6.329 1.00 0.00 C ATOM 970 O GLN A 64 -4.485 -8.667 -6.598 1.00 0.00 O ATOM 971 CB GLN A 64 -6.171 -6.388 -8.207 1.00 0.00 C ATOM 972 CG GLN A 64 -5.547 -7.133 -9.376 1.00 0.00 C ATOM 973 CD GLN A 64 -5.328 -6.244 -10.585 1.00 0.00 C ATOM 974 OE1 GLN A 64 -4.466 -5.364 -10.575 1.00 0.00 O ATOM 975 NE2 GLN A 64 -6.110 -6.469 -11.634 1.00 0.00 N ATOM 0 H GLN A 64 -7.368 -5.582 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.883 -8.191 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.125 -5.967 -8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.528 -5.551 -7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.593 -7.557 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.190 -7.967 -9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.811 -7.209 -11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.010 -5.902 -12.476 1.00 0.00 H new ATOM 984 N ILE A 65 -4.567 -6.716 -5.479 1.00 0.00 N ATOM 985 CA ILE A 65 -3.297 -6.929 -4.797 1.00 0.00 C ATOM 986 C ILE A 65 -3.516 -7.392 -3.360 1.00 0.00 C ATOM 987 O ILE A 65 -4.558 -7.122 -2.762 1.00 0.00 O ATOM 988 CB ILE A 65 -2.441 -5.648 -4.787 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.161 -4.534 -4.025 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.130 -5.209 -6.210 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.283 -3.337 -3.733 1.00 0.00 C ATOM 0 H ILE A 65 -5.029 -5.837 -5.246 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.768 -7.705 -5.350 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.500 -5.860 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.025 -4.208 -4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.540 -4.934 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.525 -4.303 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.581 -5.999 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.061 -5.010 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.859 -2.587 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.432 -3.649 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.924 -2.912 -4.670 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.526 -8.088 -2.811 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.609 -8.588 -1.444 1.00 0.00 C ATOM 1005 C ARG A 66 -1.398 -8.145 -0.629 1.00 0.00 C ATOM 1006 O ARG A 66 -0.286 -8.053 -1.149 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.708 -10.115 -1.442 1.00 0.00 C ATOM 1008 CG ARG A 66 -2.149 -10.759 -0.185 1.00 0.00 C ATOM 1009 CD ARG A 66 -3.043 -10.502 1.018 1.00 0.00 C ATOM 1010 NE ARG A 66 -4.046 -11.550 1.189 1.00 0.00 N ATOM 1011 CZ ARG A 66 -5.104 -11.432 1.983 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -5.296 -10.318 2.676 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -5.973 -12.430 2.085 1.00 0.00 N ATOM 0 H ARG A 66 -1.657 -8.319 -3.292 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.506 -8.172 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.753 -10.403 -1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.175 -10.506 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.046 -11.833 -0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.151 -10.368 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.431 -10.436 1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.541 -9.540 0.901 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.927 -12.420 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.630 -9.549 2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.109 -10.230 3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.828 -13.288 1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.785 -12.339 2.695 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.622 -7.871 0.652 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.550 -7.437 1.540 1.00 0.00 C ATOM 1029 C PHE A 67 -0.291 -8.474 2.629 1.00 0.00 C ATOM 1030 O PHE A 67 -1.221 -9.100 3.139 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.900 -6.090 2.176 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.009 -4.968 1.183 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.046 -4.937 0.265 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.074 -3.946 1.167 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.148 -3.906 -0.651 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.171 -2.912 0.254 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.210 -2.892 -0.655 1.00 0.00 C ATOM 0 H PHE A 67 -2.536 -7.942 1.098 1.00 0.00 H new ATOM 0 HA PHE A 67 0.357 -7.326 0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.845 -6.184 2.711 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.140 -5.838 2.915 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.783 -5.727 0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.741 -3.957 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.960 -3.894 -1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.565 -2.121 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.289 -2.085 -1.368 1.00 0.00 H new ATOM 1047 N ARG A 68 0.979 -8.651 2.979 1.00 0.00 N ATOM 1048 CA ARG A 68 1.361 -9.613 4.006 1.00 0.00 C ATOM 1049 C ARG A 68 2.640 -9.174 4.713 1.00 0.00 C ATOM 1050 O ARG A 68 3.543 -8.611 4.093 1.00 0.00 O ATOM 1051 CB ARG A 68 1.556 -10.999 3.389 1.00 0.00 C ATOM 1052 CG ARG A 68 2.897 -11.173 2.695 1.00 0.00 C ATOM 1053 CD ARG A 68 3.201 -12.639 2.430 1.00 0.00 C ATOM 1054 NE ARG A 68 4.535 -12.829 1.865 1.00 0.00 N ATOM 1055 CZ ARG A 68 5.004 -14.006 1.467 1.00 0.00 C ATOM 1056 NH1 ARG A 68 4.252 -15.093 1.573 1.00 0.00 N ATOM 1057 NH2 ARG A 68 6.228 -14.098 0.963 1.00 0.00 N ATOM 0 H ARG A 68 1.760 -8.141 2.567 1.00 0.00 H new ATOM 0 HA ARG A 68 0.558 -9.660 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.461 -11.752 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.758 -11.183 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.894 -10.625 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.686 -10.742 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.118 -13.200 3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.456 -13.046 1.746 1.00 0.00 H new ATOM 0 HE ARG A 68 5.139 -12.013 1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.311 -15.026 1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.615 -15.996 1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.810 -13.264 0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.587 -15.003 0.658 1.00 0.00 H new ATOM 1071 N PHE A 69 2.711 -9.436 6.014 1.00 0.00 N ATOM 1072 CA PHE A 69 3.878 -9.067 6.806 1.00 0.00 C ATOM 1073 C PHE A 69 4.358 -10.245 7.649 1.00 0.00 C ATOM 1074 O PHE A 69 3.567 -10.893 8.335 1.00 0.00 O ATOM 1075 CB PHE A 69 3.552 -7.877 7.710 1.00 0.00 C ATOM 1076 CG PHE A 69 4.609 -7.600 8.740 1.00 0.00 C ATOM 1077 CD1 PHE A 69 4.715 -8.390 9.873 1.00 0.00 C ATOM 1078 CD2 PHE A 69 5.497 -6.549 8.576 1.00 0.00 C ATOM 1079 CE1 PHE A 69 5.686 -8.137 10.823 1.00 0.00 C ATOM 1080 CE2 PHE A 69 6.471 -6.291 9.523 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.566 -7.087 10.647 1.00 0.00 C ATOM 0 H PHE A 69 1.974 -9.903 6.542 1.00 0.00 H new ATOM 0 HA PHE A 69 4.677 -8.785 6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.416 -6.989 7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.604 -8.063 8.215 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.031 -9.213 10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.428 -5.924 7.698 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.757 -8.760 11.702 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.156 -5.468 9.384 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.327 -6.889 11.387 1.00 0.00 H new ATOM 1091 N ASP A 70 5.657 -10.516 7.592 1.00 0.00 N ATOM 1092 CA ASP A 70 6.243 -11.615 8.351 1.00 0.00 C ATOM 1093 C ASP A 70 5.682 -12.955 7.887 1.00 0.00 C ATOM 1094 O ASP A 70 5.585 -13.902 8.666 1.00 0.00 O ATOM 1095 CB ASP A 70 5.980 -11.428 9.846 1.00 0.00 C ATOM 1096 CG ASP A 70 7.039 -10.577 10.518 1.00 0.00 C ATOM 1097 OD1 ASP A 70 7.636 -9.721 9.832 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.271 -10.766 11.730 1.00 0.00 O ATOM 0 H ASP A 70 6.325 -9.990 7.028 1.00 0.00 H new ATOM 0 HA ASP A 70 7.319 -11.612 8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.003 -10.964 9.985 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.941 -12.404 10.330 1.00 0.00 H new ATOM 1103 N GLY A 71 5.313 -13.027 6.611 1.00 0.00 N ATOM 1104 CA GLY A 71 4.765 -14.255 6.066 1.00 0.00 C ATOM 1105 C GLY A 71 3.319 -14.473 6.467 1.00 0.00 C ATOM 1106 O GLY A 71 2.857 -15.611 6.549 1.00 0.00 O ATOM 0 H GLY A 71 5.384 -12.257 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.838 -14.230 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.364 -15.099 6.406 1.00 0.00 H new ATOM 1110 N GLN A 72 2.605 -13.381 6.718 1.00 0.00 N ATOM 1111 CA GLN A 72 1.204 -13.460 7.115 1.00 0.00 C ATOM 1112 C GLN A 72 0.379 -12.384 6.415 1.00 0.00 C ATOM 1113 O GLN A 72 0.830 -11.258 6.209 1.00 0.00 O ATOM 1114 CB GLN A 72 1.073 -13.313 8.632 1.00 0.00 C ATOM 1115 CG GLN A 72 1.848 -14.362 9.413 1.00 0.00 C ATOM 1116 CD GLN A 72 1.294 -14.577 10.809 1.00 0.00 C ATOM 1117 OE1 GLN A 72 0.135 -14.954 10.978 1.00 0.00 O ATOM 1118 NE2 GLN A 72 2.124 -14.338 11.818 1.00 0.00 N ATOM 0 H GLN A 72 2.973 -12.432 6.654 1.00 0.00 H new ATOM 0 HA GLN A 72 0.822 -14.437 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.422 -12.323 8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.019 -13.373 8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.826 -15.306 8.868 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.893 -14.059 9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.077 -14.027 11.631 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.808 -14.466 12.779 1.00 0.00 H new ATOM 1127 N PRO A 73 -0.859 -12.738 6.041 1.00 0.00 N ATOM 1128 CA PRO A 73 -1.774 -11.817 5.359 1.00 0.00 C ATOM 1129 C PRO A 73 -2.264 -10.702 6.276 1.00 0.00 C ATOM 1130 O PRO A 73 -3.015 -10.947 7.220 1.00 0.00 O ATOM 1131 CB PRO A 73 -2.939 -12.718 4.943 1.00 0.00 C ATOM 1132 CG PRO A 73 -2.911 -13.847 5.915 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.463 -14.064 6.256 1.00 0.00 C ATOM 0 HA PRO A 73 -1.292 -11.307 4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.888 -12.183 4.985 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.819 -13.074 3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.490 -13.608 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.349 -14.746 5.481 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.339 -14.400 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.009 -14.821 5.617 1.00 0.00 H new ATOM 1141 N ILE A 74 -1.834 -9.477 5.992 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.231 -8.324 6.791 1.00 0.00 C ATOM 1143 C ILE A 74 -3.462 -7.645 6.202 1.00 0.00 C ATOM 1144 O ILE A 74 -3.641 -7.610 4.985 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.091 -7.294 6.897 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.413 -7.109 5.538 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.079 -7.729 7.945 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.146 -5.720 5.325 1.00 0.00 C ATOM 0 H ILE A 74 -1.211 -9.257 5.215 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.467 -8.696 7.788 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.514 -6.337 7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.394 -7.835 5.442 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.133 -7.327 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.720 -6.990 8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.572 -7.814 8.914 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.341 -8.695 7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.612 -5.662 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.661 -4.990 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.890 -5.506 6.092 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.308 -7.105 7.073 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.522 -6.425 6.640 1.00 0.00 C ATOM 1162 C ASN A 75 -5.380 -4.913 6.783 1.00 0.00 C ATOM 1163 O ASN A 75 -4.565 -4.428 7.567 1.00 0.00 O ATOM 1164 CB ASN A 75 -6.723 -6.914 7.451 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.083 -8.354 7.141 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.628 -8.655 6.078 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.779 -9.254 8.070 1.00 0.00 N ATOM 0 H ASN A 75 -4.174 -7.125 8.084 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.683 -6.659 5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.503 -6.818 8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.582 -6.275 7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.997 -10.239 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.328 -8.960 8.936 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.179 -4.174 6.019 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.141 -2.717 6.061 1.00 0.00 C ATOM 1176 C GLU A 76 -6.482 -2.203 7.457 1.00 0.00 C ATOM 1177 O GLU A 76 -5.909 -1.219 7.927 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.115 -2.129 5.038 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.471 -2.815 5.025 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.495 -2.067 4.193 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.341 -2.029 2.955 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -10.451 -1.521 4.782 1.00 0.00 O ATOM 0 H GLU A 76 -6.859 -4.560 5.364 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.128 -2.399 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.255 -1.069 5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.672 -2.199 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.359 -3.826 4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.837 -2.908 6.048 1.00 0.00 H new ATOM 1189 N THR A 77 -7.419 -2.878 8.116 1.00 0.00 N ATOM 1190 CA THR A 77 -7.838 -2.490 9.457 1.00 0.00 C ATOM 1191 C THR A 77 -6.683 -2.596 10.447 1.00 0.00 C ATOM 1192 O THR A 77 -6.490 -1.717 11.286 1.00 0.00 O ATOM 1193 CB THR A 77 -9.007 -3.362 9.954 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.623 -4.741 9.956 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.234 -3.173 9.075 1.00 0.00 C ATOM 0 H THR A 77 -7.902 -3.695 7.743 1.00 0.00 H new ATOM 0 HA THR A 77 -8.167 -1.453 9.397 1.00 0.00 H new ATOM 0 HB THR A 77 -9.256 -3.054 10.969 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.371 -5.288 10.275 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.046 -3.798 9.445 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.541 -2.127 9.099 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.995 -3.458 8.050 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.919 -3.678 10.342 1.00 0.00 N ATOM 1204 CA ASP A 78 -4.781 -3.898 11.227 1.00 0.00 C ATOM 1205 C ASP A 78 -3.821 -2.714 11.183 1.00 0.00 C ATOM 1206 O ASP A 78 -3.664 -2.065 10.148 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.046 -5.181 10.838 1.00 0.00 C ATOM 1208 CG ASP A 78 -4.869 -6.425 11.111 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.610 -6.438 12.116 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -4.772 -7.387 10.319 1.00 0.00 O ATOM 0 H ASP A 78 -6.067 -4.416 9.653 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.158 -3.999 12.245 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.790 -5.143 9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.108 -5.241 11.390 1.00 0.00 H new ATOM 1215 N THR A 79 -3.179 -2.435 12.313 1.00 0.00 N ATOM 1216 CA THR A 79 -2.236 -1.328 12.404 1.00 0.00 C ATOM 1217 C THR A 79 -0.798 -1.832 12.442 1.00 0.00 C ATOM 1218 O THR A 79 -0.530 -2.995 12.747 1.00 0.00 O ATOM 1219 CB THR A 79 -2.499 -0.467 13.654 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.060 -1.274 14.696 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.443 0.681 13.332 1.00 0.00 C ATOM 0 H THR A 79 -3.295 -2.961 13.179 1.00 0.00 H new ATOM 0 HA THR A 79 -2.380 -0.716 11.513 1.00 0.00 H new ATOM 0 HB THR A 79 -1.548 -0.052 13.988 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.223 -0.720 15.488 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.614 1.275 14.230 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.001 1.310 12.560 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.393 0.282 12.975 1.00 0.00 H new ATOM 1229 N PRO A 80 0.152 -0.939 12.127 1.00 0.00 N ATOM 1230 CA PRO A 80 1.580 -1.271 12.119 1.00 0.00 C ATOM 1231 C PRO A 80 2.128 -1.506 13.522 1.00 0.00 C ATOM 1232 O PRO A 80 3.133 -2.194 13.700 1.00 0.00 O ATOM 1233 CB PRO A 80 2.228 -0.035 11.491 1.00 0.00 C ATOM 1234 CG PRO A 80 1.278 1.077 11.776 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.095 0.464 11.754 1.00 0.00 C ATOM 0 HA PRO A 80 1.781 -2.195 11.578 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.209 0.161 11.924 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.374 -0.166 10.419 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.487 1.531 12.745 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.365 1.866 11.029 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.766 0.955 12.459 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.555 0.543 10.769 1.00 0.00 H new ATOM 1243 N ALA A 81 1.462 -0.929 14.517 1.00 0.00 N ATOM 1244 CA ALA A 81 1.881 -1.078 15.905 1.00 0.00 C ATOM 1245 C ALA A 81 1.469 -2.436 16.461 1.00 0.00 C ATOM 1246 O ALA A 81 2.086 -2.948 17.395 1.00 0.00 O ATOM 1247 CB ALA A 81 1.299 0.042 16.755 1.00 0.00 C ATOM 0 H ALA A 81 0.630 -0.354 14.387 1.00 0.00 H new ATOM 0 HA ALA A 81 2.969 -1.017 15.938 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.620 -0.082 17.789 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.649 1.003 16.379 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.211 0.008 16.706 1.00 0.00 H new ATOM 1253 N GLN A 82 0.422 -3.015 15.881 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.073 -4.314 16.321 1.00 0.00 C ATOM 1255 C GLN A 82 0.888 -5.427 15.918 1.00 0.00 C ATOM 1256 O GLN A 82 1.087 -6.389 16.661 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.459 -4.581 15.731 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.192 -5.734 16.398 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.538 -5.446 17.845 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -1.775 -5.774 18.755 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -3.693 -4.830 18.067 1.00 0.00 N ATOM 0 H GLN A 82 -0.099 -2.605 15.106 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.146 -4.298 17.408 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.063 -3.678 15.820 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.357 -4.793 14.667 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.107 -5.946 15.845 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.574 -6.630 16.348 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.295 -4.576 17.283 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.979 -4.610 19.021 1.00 0.00 H new ATOM 1270 N LEU A 83 1.481 -5.292 14.737 1.00 0.00 N ATOM 1271 CA LEU A 83 2.421 -6.287 14.235 1.00 0.00 C ATOM 1272 C LEU A 83 3.860 -5.874 14.529 1.00 0.00 C ATOM 1273 O LEU A 83 4.787 -6.274 13.825 1.00 0.00 O ATOM 1274 CB LEU A 83 2.233 -6.481 12.729 1.00 0.00 C ATOM 1275 CG LEU A 83 0.787 -6.526 12.234 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.706 -6.086 10.781 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.208 -7.924 12.403 1.00 0.00 C ATOM 0 H LEU A 83 1.327 -4.503 14.109 1.00 0.00 H new ATOM 0 HA LEU A 83 2.221 -7.229 14.745 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.748 -5.672 12.211 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.725 -7.409 12.438 1.00 0.00 H new ATOM 0 HG LEU A 83 0.196 -5.835 12.835 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.331 -6.125 10.446 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.080 -5.066 10.688 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.311 -6.751 10.165 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.822 -7.937 12.046 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.801 -8.635 11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.230 -8.202 13.457 1.00 0.00 H new ATOM 1289 N GLU A 84 4.038 -5.073 15.575 1.00 0.00 N ATOM 1290 CA GLU A 84 5.364 -4.607 15.963 1.00 0.00 C ATOM 1291 C GLU A 84 6.198 -4.256 14.734 1.00 0.00 C ATOM 1292 O GLU A 84 7.340 -4.694 14.600 1.00 0.00 O ATOM 1293 CB GLU A 84 6.082 -5.675 16.791 1.00 0.00 C ATOM 1294 CG GLU A 84 6.027 -7.063 16.174 1.00 0.00 C ATOM 1295 CD GLU A 84 6.884 -8.067 16.919 1.00 0.00 C ATOM 1296 OE1 GLU A 84 8.079 -7.780 17.137 1.00 0.00 O ATOM 1297 OE2 GLU A 84 6.359 -9.140 17.285 1.00 0.00 O ATOM 0 H GLU A 84 3.281 -4.734 16.168 1.00 0.00 H new ATOM 0 HA GLU A 84 5.243 -3.708 16.568 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.125 -5.384 16.918 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.638 -5.711 17.786 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.994 -7.411 16.162 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.357 -7.009 15.136 1.00 0.00 H new ATOM 1304 N MET A 85 5.618 -3.462 13.840 1.00 0.00 N ATOM 1305 CA MET A 85 6.307 -3.050 12.623 1.00 0.00 C ATOM 1306 C MET A 85 7.493 -2.147 12.948 1.00 0.00 C ATOM 1307 O MET A 85 7.327 -1.077 13.532 1.00 0.00 O ATOM 1308 CB MET A 85 5.341 -2.325 11.684 1.00 0.00 C ATOM 1309 CG MET A 85 4.358 -3.252 10.988 1.00 0.00 C ATOM 1310 SD MET A 85 3.612 -2.503 9.528 1.00 0.00 S ATOM 1311 CE MET A 85 3.866 -3.798 8.316 1.00 0.00 C ATOM 0 H MET A 85 4.673 -3.091 13.936 1.00 0.00 H new ATOM 0 HA MET A 85 6.681 -3.946 12.127 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.785 -1.580 12.253 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.916 -1.786 10.930 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.872 -4.169 10.699 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.572 -3.534 11.689 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.349 -3.538 7.392 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.932 -3.906 8.117 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.471 -4.738 8.700 1.00 0.00 H new ATOM 1321 N GLU A 86 8.688 -2.587 12.566 1.00 0.00 N ATOM 1322 CA GLU A 86 9.901 -1.817 12.819 1.00 0.00 C ATOM 1323 C GLU A 86 10.178 -0.846 11.675 1.00 0.00 C ATOM 1324 O GLU A 86 9.452 -0.818 10.681 1.00 0.00 O ATOM 1325 CB GLU A 86 11.096 -2.754 13.008 1.00 0.00 C ATOM 1326 CG GLU A 86 11.382 -3.627 11.797 1.00 0.00 C ATOM 1327 CD GLU A 86 12.322 -4.774 12.114 1.00 0.00 C ATOM 1328 OE1 GLU A 86 13.456 -4.506 12.562 1.00 0.00 O ATOM 1329 OE2 GLU A 86 11.922 -5.940 11.915 1.00 0.00 O ATOM 0 H GLU A 86 8.842 -3.471 12.081 1.00 0.00 H new ATOM 0 HA GLU A 86 9.751 -1.241 13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.981 -2.159 13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.913 -3.394 13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.444 -4.027 11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.816 -3.015 11.006 1.00 0.00 H new ATOM 1336 N ASP A 87 11.231 -0.051 11.824 1.00 0.00 N ATOM 1337 CA ASP A 87 11.605 0.922 10.804 1.00 0.00 C ATOM 1338 C ASP A 87 12.335 0.244 9.648 1.00 0.00 C ATOM 1339 O ASP A 87 13.007 -0.770 9.836 1.00 0.00 O ATOM 1340 CB ASP A 87 12.488 2.014 11.410 1.00 0.00 C ATOM 1341 CG ASP A 87 13.849 1.493 11.828 1.00 0.00 C ATOM 1342 OD1 ASP A 87 13.929 0.324 12.261 1.00 0.00 O ATOM 1343 OD2 ASP A 87 14.834 2.254 11.723 1.00 0.00 O ATOM 0 H ASP A 87 11.841 -0.061 12.641 1.00 0.00 H new ATOM 0 HA ASP A 87 10.692 1.376 10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.617 2.817 10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.985 2.445 12.276 1.00 0.00 H new ATOM 1348 N GLU A 88 12.196 0.810 8.454 1.00 0.00 N ATOM 1349 CA GLU A 88 12.840 0.259 7.268 1.00 0.00 C ATOM 1350 C GLU A 88 12.417 -1.190 7.042 1.00 0.00 C ATOM 1351 O GLU A 88 13.175 -1.992 6.497 1.00 0.00 O ATOM 1352 CB GLU A 88 14.362 0.342 7.402 1.00 0.00 C ATOM 1353 CG GLU A 88 14.921 1.731 7.146 1.00 0.00 C ATOM 1354 CD GLU A 88 16.378 1.857 7.547 1.00 0.00 C ATOM 1355 OE1 GLU A 88 16.746 1.324 8.615 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.149 2.489 6.796 1.00 0.00 O ATOM 0 H GLU A 88 11.643 1.650 8.282 1.00 0.00 H new ATOM 0 HA GLU A 88 12.525 0.850 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.648 0.024 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.819 -0.359 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.817 1.971 6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.332 2.463 7.698 1.00 0.00 H new ATOM 1363 N ASP A 89 11.201 -1.517 7.466 1.00 0.00 N ATOM 1364 CA ASP A 89 10.675 -2.868 7.310 1.00 0.00 C ATOM 1365 C ASP A 89 10.477 -3.208 5.836 1.00 0.00 C ATOM 1366 O ASP A 89 10.820 -2.420 4.954 1.00 0.00 O ATOM 1367 CB ASP A 89 9.351 -3.013 8.062 1.00 0.00 C ATOM 1368 CG ASP A 89 9.041 -4.454 8.418 1.00 0.00 C ATOM 1369 OD1 ASP A 89 8.409 -5.145 7.593 1.00 0.00 O ATOM 1370 OD2 ASP A 89 9.430 -4.889 9.522 1.00 0.00 O ATOM 0 H ASP A 89 10.561 -0.865 7.920 1.00 0.00 H new ATOM 0 HA ASP A 89 11.401 -3.564 7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.387 -2.417 8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.543 -2.611 7.450 1.00 0.00 H new ATOM 1375 N THR A 90 9.922 -4.388 5.575 1.00 0.00 N ATOM 1376 CA THR A 90 9.681 -4.833 4.209 1.00 0.00 C ATOM 1377 C THR A 90 8.344 -5.557 4.095 1.00 0.00 C ATOM 1378 O THR A 90 8.118 -6.571 4.757 1.00 0.00 O ATOM 1379 CB THR A 90 10.801 -5.768 3.717 1.00 0.00 C ATOM 1380 OG1 THR A 90 12.072 -5.119 3.842 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.573 -6.171 2.268 1.00 0.00 C ATOM 0 H THR A 90 9.631 -5.052 6.292 1.00 0.00 H new ATOM 0 HA THR A 90 9.663 -3.940 3.584 1.00 0.00 H new ATOM 0 HB THR A 90 10.790 -6.667 4.334 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.779 -5.721 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.377 -6.831 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.619 -6.691 2.181 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.559 -5.280 1.640 1.00 0.00 H new ATOM 1389 N ILE A 91 7.462 -5.031 3.252 1.00 0.00 N ATOM 1390 CA ILE A 91 6.148 -5.629 3.050 1.00 0.00 C ATOM 1391 C ILE A 91 6.111 -6.457 1.770 1.00 0.00 C ATOM 1392 O ILE A 91 6.764 -6.120 0.782 1.00 0.00 O ATOM 1393 CB ILE A 91 5.045 -4.556 2.987 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.253 -3.513 4.087 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.672 -5.200 3.113 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.033 -2.659 4.348 1.00 0.00 C ATOM 0 H ILE A 91 7.633 -4.192 2.698 1.00 0.00 H new ATOM 0 HA ILE A 91 5.962 -6.279 3.905 1.00 0.00 H new ATOM 0 HB ILE A 91 5.102 -4.054 2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.535 -4.021 5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.086 -2.867 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.903 -4.429 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.526 -5.908 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.602 -5.725 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.253 -1.942 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.762 -2.123 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.203 -3.295 4.655 1.00 0.00 H new ATOM 1408 N ASP A 92 5.342 -7.539 1.794 1.00 0.00 N ATOM 1409 CA ASP A 92 5.217 -8.414 0.634 1.00 0.00 C ATOM 1410 C ASP A 92 3.866 -8.222 -0.048 1.00 0.00 C ATOM 1411 O ASP A 92 2.816 -8.365 0.578 1.00 0.00 O ATOM 1412 CB ASP A 92 5.388 -9.876 1.050 1.00 0.00 C ATOM 1413 CG ASP A 92 6.835 -10.326 1.002 1.00 0.00 C ATOM 1414 OD1 ASP A 92 7.527 -9.994 0.017 1.00 0.00 O ATOM 1415 OD2 ASP A 92 7.276 -11.010 1.950 1.00 0.00 O ATOM 0 H ASP A 92 4.795 -7.832 2.604 1.00 0.00 H new ATOM 0 HA ASP A 92 6.003 -8.151 -0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.002 -10.011 2.060 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.791 -10.510 0.394 1.00 0.00 H new ATOM 1420 N VAL A 93 3.901 -7.896 -1.337 1.00 0.00 N ATOM 1421 CA VAL A 93 2.680 -7.683 -2.105 1.00 0.00 C ATOM 1422 C VAL A 93 2.797 -8.285 -3.500 1.00 0.00 C ATOM 1423 O VAL A 93 3.877 -8.304 -4.092 1.00 0.00 O ATOM 1424 CB VAL A 93 2.349 -6.184 -2.230 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.190 -5.972 -3.192 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.034 -5.592 -0.865 1.00 0.00 C ATOM 0 H VAL A 93 4.762 -7.774 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 93 1.875 -8.180 -1.564 1.00 0.00 H new ATOM 0 HB VAL A 93 3.222 -5.669 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.970 -4.907 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.458 -6.358 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.310 -6.499 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.803 -4.532 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.177 -6.109 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.897 -5.710 -0.209 1.00 0.00 H new ATOM 1436 N PHE A 94 1.678 -8.777 -4.022 1.00 0.00 N ATOM 1437 CA PHE A 94 1.655 -9.381 -5.350 1.00 0.00 C ATOM 1438 C PHE A 94 1.001 -8.445 -6.362 1.00 0.00 C ATOM 1439 O PHE A 94 -0.192 -8.158 -6.276 1.00 0.00 O ATOM 1440 CB PHE A 94 0.905 -10.714 -5.313 1.00 0.00 C ATOM 1441 CG PHE A 94 1.359 -11.628 -4.211 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.099 -11.318 -2.885 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.045 -12.796 -4.499 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.516 -12.156 -1.869 1.00 0.00 C ATOM 1445 CE2 PHE A 94 2.464 -13.639 -3.487 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.199 -13.319 -2.170 1.00 0.00 C ATOM 0 H PHE A 94 0.776 -8.769 -3.546 1.00 0.00 H new ATOM 0 HA PHE A 94 2.685 -9.559 -5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.161 -10.519 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.033 -11.220 -6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.564 -10.411 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 94 2.255 -13.051 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.308 -11.902 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE A 94 2.998 -14.547 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 94 2.525 -13.976 -1.377 1.00 0.00 H new ATOM 1456 N GLN A 95 1.794 -7.971 -7.318 1.00 0.00 N ATOM 1457 CA GLN A 95 1.293 -7.066 -8.346 1.00 0.00 C ATOM 1458 C GLN A 95 0.791 -7.844 -9.558 1.00 0.00 C ATOM 1459 O GLN A 95 1.578 -8.433 -10.298 1.00 0.00 O ATOM 1460 CB GLN A 95 2.389 -6.088 -8.771 1.00 0.00 C ATOM 1461 CG GLN A 95 2.452 -4.834 -7.913 1.00 0.00 C ATOM 1462 CD GLN A 95 3.214 -3.707 -8.582 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.425 -3.719 -9.795 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.630 -2.724 -7.792 1.00 0.00 N ATOM 0 H GLN A 95 2.785 -8.198 -7.402 1.00 0.00 H new ATOM 0 HA GLN A 95 0.458 -6.505 -7.926 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.353 -6.595 -8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.225 -5.800 -9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.439 -4.500 -7.690 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.926 -5.073 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.433 -2.755 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.147 -1.938 -8.185 1.00 0.00 H new