USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 ASN : amide:sc=-0.00236 X(o=-0.0024,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 99:sc= 1.12 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 140:sc= -0.182 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0419 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.55 USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.443 (180deg=-1.72) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 70 CYS SG : rot -140:sc= -0.874 USER MOD Single : A 71 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= -0.717 (180deg=-2.37!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 80 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.0041) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.227 K(o=-0.23,f=-3.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 12:sc= -1.22 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= -0.226 (180deg=-0.226) USER MOD ----------------------------------------------------------------- ATOM 358 N PRO A 29 -14.075 5.851 -0.755 1.00 0.00 N ATOM 359 CA PRO A 29 -13.223 4.852 -1.407 1.00 0.00 C ATOM 360 C PRO A 29 -13.618 4.613 -2.861 1.00 0.00 C ATOM 361 O PRO A 29 -14.679 5.053 -3.307 1.00 0.00 O ATOM 362 CB PRO A 29 -13.458 3.589 -0.575 1.00 0.00 C ATOM 363 CG PRO A 29 -14.809 3.776 0.024 1.00 0.00 C ATOM 364 CD PRO A 29 -14.956 5.253 0.261 1.00 0.00 C ATOM 0 HA PRO A 29 -12.180 5.167 -1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.421 2.694 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.696 3.475 0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.587 3.409 -0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.903 3.220 0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.989 5.579 0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.652 5.530 1.270 1.00 0.00 H new ATOM 372 N LEU A 30 -12.759 3.914 -3.595 1.00 0.00 N ATOM 373 CA LEU A 30 -13.019 3.617 -4.999 1.00 0.00 C ATOM 374 C LEU A 30 -14.230 2.702 -5.147 1.00 0.00 C ATOM 375 O LEU A 30 -14.314 1.657 -4.502 1.00 0.00 O ATOM 376 CB LEU A 30 -11.792 2.964 -5.638 1.00 0.00 C ATOM 377 CG LEU A 30 -11.626 3.175 -7.143 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.165 3.044 -7.543 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.484 2.186 -7.918 1.00 0.00 C ATOM 0 H LEU A 30 -11.877 3.543 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.231 4.556 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.901 3.344 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.834 1.892 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.959 4.184 -7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.067 3.197 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.575 3.792 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.805 2.048 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.353 2.351 -8.987 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.182 1.169 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.532 2.329 -7.654 1.00 0.00 H new ATOM 391 N ASN A 31 -15.166 3.100 -6.003 1.00 0.00 N ATOM 392 CA ASN A 31 -16.372 2.315 -6.237 1.00 0.00 C ATOM 393 C ASN A 31 -16.063 1.081 -7.078 1.00 0.00 C ATOM 394 O ASN A 31 -15.983 1.156 -8.305 1.00 0.00 O ATOM 395 CB ASN A 31 -17.434 3.168 -6.933 1.00 0.00 C ATOM 396 CG ASN A 31 -17.950 4.286 -6.048 1.00 0.00 C ATOM 397 OD1 ASN A 31 -17.739 5.465 -6.331 1.00 0.00 O ATOM 398 ND2 ASN A 31 -18.631 3.919 -4.968 1.00 0.00 N ATOM 0 H ASN A 31 -15.112 3.962 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.755 1.987 -5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.014 3.594 -7.844 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.267 2.532 -7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.003 4.627 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.782 2.929 -4.772 1.00 0.00 H new ATOM 405 N LEU A 32 -15.892 -0.055 -6.411 1.00 0.00 N ATOM 406 CA LEU A 32 -15.592 -1.308 -7.097 1.00 0.00 C ATOM 407 C LEU A 32 -16.794 -1.787 -7.904 1.00 0.00 C ATOM 408 O LEU A 32 -16.693 -2.026 -9.108 1.00 0.00 O ATOM 409 CB LEU A 32 -15.181 -2.380 -6.086 1.00 0.00 C ATOM 410 CG LEU A 32 -14.018 -2.020 -5.161 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.859 -3.068 -4.071 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.729 -1.875 -5.957 1.00 0.00 C ATOM 0 H LEU A 32 -15.956 -0.135 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.765 -1.129 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.047 -2.621 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.917 -3.285 -6.633 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.238 -1.064 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.027 -2.795 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.775 -3.123 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.661 -4.039 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.912 -1.619 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.504 -2.816 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.847 -1.086 -6.700 1.00 0.00 H new ATOM 424 N THR A 33 -17.934 -1.926 -7.234 1.00 0.00 N ATOM 425 CA THR A 33 -19.156 -2.376 -7.888 1.00 0.00 C ATOM 426 C THR A 33 -19.307 -1.741 -9.266 1.00 0.00 C ATOM 427 O THR A 33 -19.669 -0.571 -9.384 1.00 0.00 O ATOM 428 CB THR A 33 -20.400 -2.045 -7.043 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.582 -2.495 -7.714 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.497 -0.549 -6.784 1.00 0.00 C ATOM 0 H THR A 33 -18.036 -1.733 -6.238 1.00 0.00 H new ATOM 0 HA THR A 33 -19.077 -3.458 -7.996 1.00 0.00 H new ATOM 0 HB THR A 33 -20.308 -2.558 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.368 -2.282 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.384 -0.340 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.609 -0.214 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.568 -0.019 -7.734 1.00 0.00 H new ATOM 438 N GLY A 34 -19.029 -2.521 -10.306 1.00 0.00 N ATOM 439 CA GLY A 34 -19.141 -2.016 -11.662 1.00 0.00 C ATOM 440 C GLY A 34 -17.876 -2.235 -12.469 1.00 0.00 C ATOM 441 O GLY A 34 -17.924 -2.760 -13.582 1.00 0.00 O ATOM 0 H GLY A 34 -18.728 -3.493 -10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.976 -2.507 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.369 -0.951 -11.632 1.00 0.00 H new ATOM 445 N LEU A 35 -16.742 -1.831 -11.908 1.00 0.00 N ATOM 446 CA LEU A 35 -15.458 -1.984 -12.583 1.00 0.00 C ATOM 447 C LEU A 35 -15.270 -3.414 -13.078 1.00 0.00 C ATOM 448 O LEU A 35 -15.669 -4.380 -12.427 1.00 0.00 O ATOM 449 CB LEU A 35 -14.315 -1.604 -11.640 1.00 0.00 C ATOM 450 CG LEU A 35 -14.065 -0.106 -11.458 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.384 0.163 -10.125 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.227 0.438 -12.606 1.00 0.00 C ATOM 0 H LEU A 35 -16.685 -1.395 -10.988 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.447 -1.317 -13.445 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.518 -2.040 -10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.398 -2.063 -12.010 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.027 0.407 -11.462 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.214 1.234 -10.013 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.020 -0.190 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.429 -0.361 -10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.059 1.505 -12.460 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.268 -0.080 -12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.753 0.279 -13.547 1.00 0.00 H new ATOM 464 N PRO A 36 -14.646 -3.556 -14.257 1.00 0.00 N ATOM 465 CA PRO A 36 -14.388 -4.865 -14.864 1.00 0.00 C ATOM 466 C PRO A 36 -13.335 -5.661 -14.100 1.00 0.00 C ATOM 467 O PRO A 36 -12.285 -5.132 -13.738 1.00 0.00 O ATOM 468 CB PRO A 36 -13.880 -4.513 -16.264 1.00 0.00 C ATOM 469 CG PRO A 36 -13.308 -3.144 -16.127 1.00 0.00 C ATOM 470 CD PRO A 36 -14.143 -2.449 -15.088 1.00 0.00 C ATOM 0 HA PRO A 36 -15.277 -5.496 -14.864 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.127 -5.225 -16.602 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.688 -4.533 -16.995 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.262 -3.187 -15.823 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.342 -2.610 -17.077 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.552 -1.744 -14.503 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.958 -1.884 -15.540 1.00 0.00 H new ATOM 478 N GLY A 37 -13.624 -6.936 -13.858 1.00 0.00 N ATOM 479 CA GLY A 37 -12.692 -7.784 -13.139 1.00 0.00 C ATOM 480 C GLY A 37 -12.960 -7.806 -11.647 1.00 0.00 C ATOM 481 O GLY A 37 -12.338 -8.569 -10.907 1.00 0.00 O ATOM 0 H GLY A 37 -14.487 -7.396 -14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.753 -8.799 -13.531 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.675 -7.434 -13.317 1.00 0.00 H new ATOM 485 N THR A 38 -13.889 -6.965 -11.202 1.00 0.00 N ATOM 486 CA THR A 38 -14.237 -6.889 -9.789 1.00 0.00 C ATOM 487 C THR A 38 -14.522 -8.273 -9.217 1.00 0.00 C ATOM 488 O THR A 38 -14.456 -8.479 -8.005 1.00 0.00 O ATOM 489 CB THR A 38 -15.466 -5.989 -9.560 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.159 -4.639 -9.928 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.908 -6.036 -8.105 1.00 0.00 C ATOM 0 H THR A 38 -14.414 -6.327 -11.800 1.00 0.00 H new ATOM 0 HA THR A 38 -13.378 -6.456 -9.276 1.00 0.00 H new ATOM 0 HB THR A 38 -16.281 -6.359 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.504 -4.459 -10.827 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.777 -5.393 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.168 -7.060 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.096 -5.689 -7.467 1.00 0.00 H new ATOM 499 N GLU A 39 -14.838 -9.218 -10.096 1.00 0.00 N ATOM 500 CA GLU A 39 -15.133 -10.583 -9.677 1.00 0.00 C ATOM 501 C GLU A 39 -13.892 -11.466 -9.784 1.00 0.00 C ATOM 502 O GLU A 39 -13.797 -12.506 -9.132 1.00 0.00 O ATOM 503 CB GLU A 39 -16.263 -11.168 -10.526 1.00 0.00 C ATOM 504 CG GLU A 39 -15.815 -11.630 -11.902 1.00 0.00 C ATOM 505 CD GLU A 39 -16.909 -12.357 -12.659 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.044 -13.585 -12.474 1.00 0.00 O ATOM 507 OE2 GLU A 39 -17.631 -11.698 -13.436 1.00 0.00 O ATOM 0 H GLU A 39 -14.896 -9.064 -11.103 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.449 -10.555 -8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.705 -12.011 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.045 -10.418 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.489 -10.767 -12.482 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.952 -12.288 -11.797 1.00 0.00 H new ATOM 514 N LYS A 40 -12.943 -11.043 -10.613 1.00 0.00 N ATOM 515 CA LYS A 40 -11.708 -11.792 -10.807 1.00 0.00 C ATOM 516 C LYS A 40 -11.002 -12.033 -9.476 1.00 0.00 C ATOM 517 O LYS A 40 -10.382 -13.077 -9.271 1.00 0.00 O ATOM 518 CB LYS A 40 -10.777 -11.042 -11.762 1.00 0.00 C ATOM 519 CG LYS A 40 -11.381 -10.798 -13.134 1.00 0.00 C ATOM 520 CD LYS A 40 -11.073 -11.939 -14.089 1.00 0.00 C ATOM 521 CE LYS A 40 -12.049 -11.967 -15.256 1.00 0.00 C ATOM 522 NZ LYS A 40 -11.976 -13.250 -16.009 1.00 0.00 N ATOM 0 H LYS A 40 -13.006 -10.185 -11.161 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.963 -12.758 -11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.509 -10.084 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.854 -11.610 -11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.461 -10.681 -13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.993 -9.865 -13.543 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.056 -11.835 -14.466 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.118 -12.887 -13.552 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.063 -11.821 -14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.834 -11.138 -15.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.656 -13.230 -16.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.015 -13.378 -16.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.206 -14.040 -15.373 1.00 0.00 H new ATOM 536 N LEU A 41 -11.102 -11.062 -8.575 1.00 0.00 N ATOM 537 CA LEU A 41 -10.474 -11.169 -7.263 1.00 0.00 C ATOM 538 C LEU A 41 -11.524 -11.337 -6.169 1.00 0.00 C ATOM 539 O LEU A 41 -12.718 -11.436 -6.451 1.00 0.00 O ATOM 540 CB LEU A 41 -9.622 -9.930 -6.981 1.00 0.00 C ATOM 541 CG LEU A 41 -10.097 -8.628 -7.627 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.506 -8.286 -7.168 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.138 -7.491 -7.302 1.00 0.00 C ATOM 0 H LEU A 41 -11.612 -10.192 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.833 -12.051 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.578 -9.782 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.604 -10.129 -7.317 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.113 -8.767 -8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.826 -7.356 -7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.186 -9.089 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.517 -8.167 -6.085 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.491 -6.572 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.090 -7.353 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.145 -7.733 -7.681 1.00 0.00 H new ATOM 555 N ASN A 42 -11.071 -11.368 -4.920 1.00 0.00 N ATOM 556 CA ASN A 42 -11.971 -11.523 -3.784 1.00 0.00 C ATOM 557 C ASN A 42 -11.945 -10.283 -2.895 1.00 0.00 C ATOM 558 O ASN A 42 -11.297 -9.289 -3.221 1.00 0.00 O ATOM 559 CB ASN A 42 -11.587 -12.758 -2.967 1.00 0.00 C ATOM 560 CG ASN A 42 -11.481 -14.007 -3.821 1.00 0.00 C ATOM 561 OD1 ASN A 42 -12.480 -14.673 -4.092 1.00 0.00 O ATOM 562 ND2 ASN A 42 -10.266 -14.330 -4.248 1.00 0.00 N ATOM 0 H ASN A 42 -10.086 -11.288 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.983 -11.651 -4.169 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.634 -12.579 -2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.329 -12.918 -2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.132 -15.160 -4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.466 -13.748 -3.999 1.00 0.00 H new ATOM 569 N GLU A 43 -12.653 -10.351 -1.772 1.00 0.00 N ATOM 570 CA GLU A 43 -12.710 -9.233 -0.837 1.00 0.00 C ATOM 571 C GLU A 43 -11.308 -8.818 -0.400 1.00 0.00 C ATOM 572 O GLU A 43 -11.040 -7.637 -0.177 1.00 0.00 O ATOM 573 CB GLU A 43 -13.549 -9.606 0.387 1.00 0.00 C ATOM 574 CG GLU A 43 -12.921 -10.690 1.248 1.00 0.00 C ATOM 575 CD GLU A 43 -11.885 -10.143 2.210 1.00 0.00 C ATOM 576 OE1 GLU A 43 -12.000 -8.960 2.596 1.00 0.00 O ATOM 577 OE2 GLU A 43 -10.960 -10.896 2.578 1.00 0.00 O ATOM 0 H GLU A 43 -13.194 -11.167 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.178 -8.390 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.705 -8.715 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.532 -9.941 0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.702 -11.199 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.455 -11.436 0.604 1.00 0.00 H new ATOM 584 N LYS A 44 -10.418 -9.797 -0.279 1.00 0.00 N ATOM 585 CA LYS A 44 -9.044 -9.535 0.131 1.00 0.00 C ATOM 586 C LYS A 44 -8.424 -8.429 -0.717 1.00 0.00 C ATOM 587 O LYS A 44 -7.950 -7.423 -0.190 1.00 0.00 O ATOM 588 CB LYS A 44 -8.204 -10.810 0.017 1.00 0.00 C ATOM 589 CG LYS A 44 -8.201 -11.650 1.283 1.00 0.00 C ATOM 590 CD LYS A 44 -7.064 -12.659 1.279 1.00 0.00 C ATOM 591 CE LYS A 44 -7.213 -13.671 2.404 1.00 0.00 C ATOM 592 NZ LYS A 44 -6.758 -13.120 3.710 1.00 0.00 N ATOM 0 H LYS A 44 -10.624 -10.780 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.058 -9.207 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.583 -11.413 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.178 -10.538 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.108 -10.999 2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.153 -12.173 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.041 -13.179 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.113 -12.137 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.257 -13.976 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.637 -14.565 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.876 -13.840 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.755 -12.853 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.325 -12.282 3.949 1.00 0.00 H new ATOM 606 N GLU A 45 -8.434 -8.622 -2.032 1.00 0.00 N ATOM 607 CA GLU A 45 -7.873 -7.639 -2.952 1.00 0.00 C ATOM 608 C GLU A 45 -8.794 -6.429 -3.084 1.00 0.00 C ATOM 609 O GLU A 45 -8.351 -5.284 -2.998 1.00 0.00 O ATOM 610 CB GLU A 45 -7.641 -8.268 -4.327 1.00 0.00 C ATOM 611 CG GLU A 45 -6.875 -9.580 -4.274 1.00 0.00 C ATOM 612 CD GLU A 45 -7.787 -10.783 -4.137 1.00 0.00 C ATOM 613 OE1 GLU A 45 -8.266 -11.039 -3.012 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.022 -11.469 -5.154 1.00 0.00 O ATOM 0 H GLU A 45 -8.824 -9.449 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.918 -7.305 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.605 -8.439 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.094 -7.563 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.277 -9.684 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.181 -9.557 -3.434 1.00 0.00 H new ATOM 621 N LYS A 46 -10.080 -6.692 -3.292 1.00 0.00 N ATOM 622 CA LYS A 46 -11.066 -5.627 -3.435 1.00 0.00 C ATOM 623 C LYS A 46 -10.837 -4.531 -2.399 1.00 0.00 C ATOM 624 O LYS A 46 -11.144 -3.364 -2.639 1.00 0.00 O ATOM 625 CB LYS A 46 -12.481 -6.192 -3.293 1.00 0.00 C ATOM 626 CG LYS A 46 -13.088 -6.652 -4.607 1.00 0.00 C ATOM 627 CD LYS A 46 -14.089 -7.775 -4.396 1.00 0.00 C ATOM 628 CE LYS A 46 -15.443 -7.239 -3.957 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.400 -8.337 -3.647 1.00 0.00 N ATOM 0 H LYS A 46 -10.464 -7.634 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.954 -5.192 -4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.460 -7.032 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.124 -5.431 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.581 -5.811 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.296 -6.990 -5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.203 -8.341 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.709 -8.466 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.316 -6.609 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.856 -6.608 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.311 -7.931 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.541 -8.924 -4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.018 -8.924 -2.879 1.00 0.00 H new ATOM 643 N GLU A 47 -10.296 -4.916 -1.247 1.00 0.00 N ATOM 644 CA GLU A 47 -10.026 -3.965 -0.176 1.00 0.00 C ATOM 645 C GLU A 47 -8.960 -2.957 -0.597 1.00 0.00 C ATOM 646 O GLU A 47 -9.141 -1.748 -0.451 1.00 0.00 O ATOM 647 CB GLU A 47 -9.576 -4.700 1.088 1.00 0.00 C ATOM 648 CG GLU A 47 -8.704 -3.859 2.004 1.00 0.00 C ATOM 649 CD GLU A 47 -8.724 -4.347 3.440 1.00 0.00 C ATOM 650 OE1 GLU A 47 -9.714 -4.067 4.147 1.00 0.00 O ATOM 651 OE2 GLU A 47 -7.750 -5.009 3.856 1.00 0.00 O ATOM 0 H GLU A 47 -10.037 -5.879 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.949 -3.425 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.457 -5.029 1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.027 -5.597 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.679 -3.871 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.043 -2.823 1.972 1.00 0.00 H new ATOM 658 N LEU A 48 -7.850 -3.465 -1.121 1.00 0.00 N ATOM 659 CA LEU A 48 -6.753 -2.610 -1.564 1.00 0.00 C ATOM 660 C LEU A 48 -7.231 -1.611 -2.613 1.00 0.00 C ATOM 661 O LEU A 48 -6.844 -0.442 -2.593 1.00 0.00 O ATOM 662 CB LEU A 48 -5.617 -3.461 -2.134 1.00 0.00 C ATOM 663 CG LEU A 48 -4.752 -4.198 -1.110 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.940 -5.292 -1.787 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.836 -3.223 -0.385 1.00 0.00 C ATOM 0 H LEU A 48 -7.685 -4.463 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.386 -2.055 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.047 -4.197 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.970 -2.816 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.409 -4.663 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.331 -5.806 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.614 -6.006 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.292 -4.849 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.228 -3.765 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.186 -2.729 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.437 -2.475 0.133 1.00 0.00 H new ATOM 677 N CYS A 49 -8.075 -2.079 -3.526 1.00 0.00 N ATOM 678 CA CYS A 49 -8.607 -1.226 -4.583 1.00 0.00 C ATOM 679 C CYS A 49 -9.294 0.003 -3.996 1.00 0.00 C ATOM 680 O CYS A 49 -9.289 1.076 -4.599 1.00 0.00 O ATOM 681 CB CYS A 49 -9.592 -2.009 -5.452 1.00 0.00 C ATOM 682 SG CYS A 49 -8.867 -3.445 -6.279 1.00 0.00 S ATOM 0 H CYS A 49 -8.405 -3.044 -3.556 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.773 -0.893 -5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.423 -2.342 -4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.006 -1.340 -6.206 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.710 -4.434 -6.250 1.00 0.00 H new ATOM 688 N GLN A 50 -9.886 -0.163 -2.817 1.00 0.00 N ATOM 689 CA GLN A 50 -10.579 0.932 -2.150 1.00 0.00 C ATOM 690 C GLN A 50 -9.594 1.823 -1.399 1.00 0.00 C ATOM 691 O GLN A 50 -9.407 2.989 -1.745 1.00 0.00 O ATOM 692 CB GLN A 50 -11.630 0.385 -1.183 1.00 0.00 C ATOM 693 CG GLN A 50 -12.612 -0.577 -1.832 1.00 0.00 C ATOM 694 CD GLN A 50 -13.903 -0.710 -1.049 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.628 0.266 -0.855 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.198 -1.923 -0.594 1.00 0.00 N ATOM 0 H GLN A 50 -9.899 -1.045 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 50 -11.075 1.532 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.126 -0.123 -0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.183 1.219 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.838 -0.234 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.146 -1.558 -1.926 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.568 -2.704 -0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.054 -2.073 -0.061 1.00 0.00 H new ATOM 705 N VAL A 51 -8.967 1.265 -0.368 1.00 0.00 N ATOM 706 CA VAL A 51 -8.001 2.008 0.432 1.00 0.00 C ATOM 707 C VAL A 51 -6.918 2.624 -0.446 1.00 0.00 C ATOM 708 O VAL A 51 -6.605 3.809 -0.326 1.00 0.00 O ATOM 709 CB VAL A 51 -7.337 1.107 1.490 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.785 -0.155 0.846 1.00 0.00 C ATOM 711 CG2 VAL A 51 -6.241 1.865 2.223 1.00 0.00 C ATOM 0 H VAL A 51 -9.111 0.301 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.552 2.802 0.936 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.093 0.813 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.320 -0.779 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.597 -0.706 0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.042 0.115 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.783 1.213 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.484 2.190 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.670 2.736 2.719 1.00 0.00 H new ATOM 721 N VAL A 52 -6.349 1.812 -1.332 1.00 0.00 N ATOM 722 CA VAL A 52 -5.302 2.278 -2.233 1.00 0.00 C ATOM 723 C VAL A 52 -5.888 3.085 -3.386 1.00 0.00 C ATOM 724 O VAL A 52 -5.173 3.817 -4.071 1.00 0.00 O ATOM 725 CB VAL A 52 -4.490 1.101 -2.805 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.226 1.604 -3.486 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.152 0.103 -1.707 1.00 0.00 C ATOM 0 H VAL A 52 -6.596 0.829 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.640 2.916 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.099 0.592 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.666 0.758 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.495 2.277 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.611 2.139 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.578 -0.722 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.562 0.597 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.073 -0.282 -1.269 1.00 0.00 H new ATOM 737 N ARG A 53 -7.193 2.946 -3.596 1.00 0.00 N ATOM 738 CA ARG A 53 -7.875 3.662 -4.667 1.00 0.00 C ATOM 739 C ARG A 53 -7.347 3.230 -6.032 1.00 0.00 C ATOM 740 O ARG A 53 -7.013 4.066 -6.873 1.00 0.00 O ATOM 741 CB ARG A 53 -7.698 5.172 -4.494 1.00 0.00 C ATOM 742 CG ARG A 53 -8.232 5.700 -3.172 1.00 0.00 C ATOM 743 CD ARG A 53 -7.452 6.919 -2.704 1.00 0.00 C ATOM 744 NE ARG A 53 -8.273 7.816 -1.895 1.00 0.00 N ATOM 745 CZ ARG A 53 -9.241 8.576 -2.394 1.00 0.00 C ATOM 746 NH1 ARG A 53 -9.508 8.549 -3.692 1.00 0.00 N ATOM 747 NH2 ARG A 53 -9.945 9.367 -1.593 1.00 0.00 N ATOM 0 H ARG A 53 -7.799 2.344 -3.038 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.936 3.419 -4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.639 5.416 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.205 5.685 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.285 5.960 -3.281 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.174 4.917 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.588 6.596 -2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.070 7.459 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.093 7.861 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.969 7.943 -4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.252 9.134 -4.072 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.742 9.391 -0.594 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.688 9.950 -1.977 1.00 0.00 H new ATOM 761 N LEU A 54 -7.273 1.921 -6.245 1.00 0.00 N ATOM 762 CA LEU A 54 -6.785 1.378 -7.507 1.00 0.00 C ATOM 763 C LEU A 54 -7.847 0.509 -8.173 1.00 0.00 C ATOM 764 O LEU A 54 -8.635 -0.153 -7.498 1.00 0.00 O ATOM 765 CB LEU A 54 -5.513 0.560 -7.276 1.00 0.00 C ATOM 766 CG LEU A 54 -5.157 -0.451 -8.366 1.00 0.00 C ATOM 767 CD1 LEU A 54 -4.643 0.261 -9.607 1.00 0.00 C ATOM 768 CD2 LEU A 54 -4.125 -1.446 -7.854 1.00 0.00 C ATOM 0 H LEU A 54 -7.545 1.216 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.557 2.213 -8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.677 1.250 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.616 0.025 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.060 -1.000 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.395 -0.475 -10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.413 0.933 -9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.752 0.836 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.883 -2.158 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.222 -0.913 -7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.530 -1.980 -6.995 1.00 0.00 H new ATOM 780 N VAL A 55 -7.860 0.513 -9.502 1.00 0.00 N ATOM 781 CA VAL A 55 -8.823 -0.277 -10.260 1.00 0.00 C ATOM 782 C VAL A 55 -8.559 -1.769 -10.096 1.00 0.00 C ATOM 783 O VAL A 55 -7.421 -2.235 -10.159 1.00 0.00 O ATOM 784 CB VAL A 55 -8.785 0.078 -11.758 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.671 -0.868 -12.554 1.00 0.00 C ATOM 786 CG2 VAL A 55 -9.207 1.524 -11.973 1.00 0.00 C ATOM 0 H VAL A 55 -7.214 1.055 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.810 -0.039 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.761 -0.035 -12.115 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.631 -0.601 -13.610 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.319 -1.891 -12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.698 -0.790 -12.198 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.174 1.758 -13.037 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.222 1.666 -11.601 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.528 2.185 -11.435 1.00 0.00 H new ATOM 796 N PRO A 56 -9.635 -2.540 -9.881 1.00 0.00 N ATOM 797 CA PRO A 56 -9.546 -3.993 -9.704 1.00 0.00 C ATOM 798 C PRO A 56 -9.168 -4.712 -10.995 1.00 0.00 C ATOM 799 O PRO A 56 -8.359 -5.638 -10.986 1.00 0.00 O ATOM 800 CB PRO A 56 -10.960 -4.385 -9.269 1.00 0.00 C ATOM 801 CG PRO A 56 -11.838 -3.317 -9.825 1.00 0.00 C ATOM 802 CD PRO A 56 -11.022 -2.054 -9.794 1.00 0.00 C ATOM 0 HA PRO A 56 -8.773 -4.269 -8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.236 -5.366 -9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.040 -4.438 -8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.148 -3.557 -10.842 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.746 -3.210 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.270 -1.395 -10.626 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.193 -1.488 -8.878 1.00 0.00 H new ATOM 810 N GLY A 57 -9.759 -4.277 -12.104 1.00 0.00 N ATOM 811 CA GLY A 57 -9.470 -4.891 -13.387 1.00 0.00 C ATOM 812 C GLY A 57 -8.013 -4.753 -13.781 1.00 0.00 C ATOM 813 O GLY A 57 -7.503 -5.536 -14.582 1.00 0.00 O ATOM 0 H GLY A 57 -10.432 -3.511 -12.137 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.734 -5.948 -13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.095 -4.434 -14.154 1.00 0.00 H new ATOM 817 N ALA A 58 -7.342 -3.754 -13.218 1.00 0.00 N ATOM 818 CA ALA A 58 -5.934 -3.516 -13.515 1.00 0.00 C ATOM 819 C ALA A 58 -5.035 -4.194 -12.487 1.00 0.00 C ATOM 820 O ALA A 58 -3.987 -4.742 -12.831 1.00 0.00 O ATOM 821 CB ALA A 58 -5.650 -2.022 -13.565 1.00 0.00 C ATOM 0 H ALA A 58 -7.750 -3.096 -12.554 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.716 -3.948 -14.491 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.595 -1.859 -13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.260 -1.561 -14.342 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.891 -1.573 -12.601 1.00 0.00 H new ATOM 827 N TYR A 59 -5.449 -4.152 -11.226 1.00 0.00 N ATOM 828 CA TYR A 59 -4.678 -4.759 -10.148 1.00 0.00 C ATOM 829 C TYR A 59 -4.315 -6.202 -10.484 1.00 0.00 C ATOM 830 O TYR A 59 -3.348 -6.751 -9.953 1.00 0.00 O ATOM 831 CB TYR A 59 -5.469 -4.712 -8.839 1.00 0.00 C ATOM 832 CG TYR A 59 -5.067 -5.784 -7.851 1.00 0.00 C ATOM 833 CD1 TYR A 59 -5.622 -7.056 -7.912 1.00 0.00 C ATOM 834 CD2 TYR A 59 -4.133 -5.524 -6.855 1.00 0.00 C ATOM 835 CE1 TYR A 59 -5.259 -8.038 -7.011 1.00 0.00 C ATOM 836 CE2 TYR A 59 -3.763 -6.500 -5.951 1.00 0.00 C ATOM 837 CZ TYR A 59 -4.329 -7.755 -6.032 1.00 0.00 C ATOM 838 OH TYR A 59 -3.964 -8.731 -5.133 1.00 0.00 O ATOM 0 H TYR A 59 -6.314 -3.704 -10.925 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.756 -4.190 -10.029 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.333 -3.734 -8.377 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.531 -4.815 -9.062 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.350 -7.281 -8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.689 -4.542 -6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.701 -9.022 -7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.034 -6.282 -5.184 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.299 -8.370 -4.510 1.00 0.00 H new ATOM 848 N LEU A 60 -5.096 -6.811 -11.369 1.00 0.00 N ATOM 849 CA LEU A 60 -4.857 -8.191 -11.778 1.00 0.00 C ATOM 850 C LEU A 60 -3.744 -8.266 -12.819 1.00 0.00 C ATOM 851 O LEU A 60 -2.922 -9.180 -12.796 1.00 0.00 O ATOM 852 CB LEU A 60 -6.140 -8.805 -12.342 1.00 0.00 C ATOM 853 CG LEU A 60 -7.402 -8.613 -11.500 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.646 -8.756 -12.364 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.433 -9.608 -10.350 1.00 0.00 C ATOM 0 H LEU A 60 -5.900 -6.371 -11.817 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.546 -8.756 -10.899 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.318 -8.381 -13.330 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.978 -9.874 -12.479 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.387 -7.606 -11.082 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.535 -8.616 -11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.629 -8.004 -13.153 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.667 -9.750 -12.811 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.338 -9.456 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.424 -10.623 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.559 -9.459 -9.716 1.00 0.00 H new ATOM 867 N GLU A 61 -3.725 -7.295 -13.728 1.00 0.00 N ATOM 868 CA GLU A 61 -2.711 -7.252 -14.775 1.00 0.00 C ATOM 869 C GLU A 61 -1.316 -7.101 -14.176 1.00 0.00 C ATOM 870 O GLU A 61 -0.320 -7.485 -14.790 1.00 0.00 O ATOM 871 CB GLU A 61 -2.992 -6.097 -15.739 1.00 0.00 C ATOM 872 CG GLU A 61 -3.905 -6.475 -16.893 1.00 0.00 C ATOM 873 CD GLU A 61 -3.158 -7.128 -18.039 1.00 0.00 C ATOM 874 OE1 GLU A 61 -2.890 -8.345 -17.954 1.00 0.00 O ATOM 875 OE2 GLU A 61 -2.840 -6.423 -19.019 1.00 0.00 O ATOM 0 H GLU A 61 -4.399 -6.530 -13.760 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.751 -8.193 -15.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.443 -5.274 -15.185 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.047 -5.731 -16.140 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.677 -7.155 -16.533 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.412 -5.582 -17.257 1.00 0.00 H new ATOM 882 N TYR A 62 -1.252 -6.539 -12.974 1.00 0.00 N ATOM 883 CA TYR A 62 0.021 -6.335 -12.293 1.00 0.00 C ATOM 884 C TYR A 62 0.499 -7.625 -11.634 1.00 0.00 C ATOM 885 O TYR A 62 1.700 -7.876 -11.532 1.00 0.00 O ATOM 886 CB TYR A 62 -0.111 -5.231 -11.243 1.00 0.00 C ATOM 887 CG TYR A 62 -0.819 -3.994 -11.749 1.00 0.00 C ATOM 888 CD1 TYR A 62 -1.007 -3.786 -13.110 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.300 -3.035 -10.867 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.652 -2.657 -13.577 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.948 -1.904 -11.325 1.00 0.00 C ATOM 892 CZ TYR A 62 -2.121 -1.720 -12.681 1.00 0.00 C ATOM 893 OH TYR A 62 -2.766 -0.595 -13.142 1.00 0.00 O ATOM 0 H TYR A 62 -2.066 -6.217 -12.451 1.00 0.00 H new ATOM 0 HA TYR A 62 0.759 -6.034 -13.037 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.653 -5.623 -10.382 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.883 -4.953 -10.894 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.643 -4.519 -13.814 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.165 -3.176 -9.805 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.788 -2.509 -14.638 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.317 -1.168 -10.626 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.034 -0.037 -12.382 1.00 0.00 H new ATOM 903 N LYS A 63 -0.450 -8.440 -11.187 1.00 0.00 N ATOM 904 CA LYS A 63 -0.129 -9.706 -10.539 1.00 0.00 C ATOM 905 C LYS A 63 0.877 -10.501 -11.365 1.00 0.00 C ATOM 906 O LYS A 63 2.045 -10.617 -10.996 1.00 0.00 O ATOM 907 CB LYS A 63 -1.400 -10.533 -10.329 1.00 0.00 C ATOM 908 CG LYS A 63 -2.488 -9.794 -9.569 1.00 0.00 C ATOM 909 CD LYS A 63 -2.368 -10.014 -8.070 1.00 0.00 C ATOM 910 CE LYS A 63 -1.258 -9.166 -7.469 1.00 0.00 C ATOM 911 NZ LYS A 63 -1.250 -7.785 -8.027 1.00 0.00 N ATOM 0 H LYS A 63 -1.449 -8.246 -11.262 1.00 0.00 H new ATOM 0 HA LYS A 63 0.317 -9.485 -9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.790 -10.838 -11.300 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.145 -11.444 -9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.426 -8.728 -9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.466 -10.133 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.315 -9.770 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.171 -11.067 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.382 -9.120 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.295 -9.640 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.934 -7.117 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.601 -7.742 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.209 -7.530 -8.337 1.00 0.00 H new ATOM 925 N SER A 64 0.415 -11.047 -12.486 1.00 0.00 N ATOM 926 CA SER A 64 1.274 -11.833 -13.364 1.00 0.00 C ATOM 927 C SER A 64 2.689 -11.264 -13.390 1.00 0.00 C ATOM 928 O SER A 64 3.632 -11.894 -12.911 1.00 0.00 O ATOM 929 CB SER A 64 0.698 -11.864 -14.781 1.00 0.00 C ATOM 930 OG SER A 64 -0.544 -12.546 -14.812 1.00 0.00 O ATOM 0 H SER A 64 -0.549 -10.959 -12.807 1.00 0.00 H new ATOM 0 HA SER A 64 1.317 -12.850 -12.975 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.566 -10.845 -15.146 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.403 -12.354 -15.453 1.00 0.00 H new ATOM 0 HG SER A 64 -0.892 -12.550 -15.728 1.00 0.00 H new ATOM 936 N ALA A 65 2.830 -10.069 -13.955 1.00 0.00 N ATOM 937 CA ALA A 65 4.129 -9.414 -14.043 1.00 0.00 C ATOM 938 C ALA A 65 4.891 -9.527 -12.727 1.00 0.00 C ATOM 939 O ALA A 65 5.942 -10.166 -12.659 1.00 0.00 O ATOM 940 CB ALA A 65 3.958 -7.953 -14.432 1.00 0.00 C ATOM 0 H ALA A 65 2.060 -9.535 -14.359 1.00 0.00 H new ATOM 0 HA ALA A 65 4.711 -9.918 -14.814 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.936 -7.476 -14.494 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.462 -7.890 -15.400 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.354 -7.445 -13.681 1.00 0.00 H new ATOM 946 N LEU A 66 4.356 -8.902 -11.683 1.00 0.00 N ATOM 947 CA LEU A 66 4.987 -8.933 -10.368 1.00 0.00 C ATOM 948 C LEU A 66 5.484 -10.336 -10.035 1.00 0.00 C ATOM 949 O LEU A 66 6.623 -10.516 -9.602 1.00 0.00 O ATOM 950 CB LEU A 66 4.002 -8.460 -9.298 1.00 0.00 C ATOM 951 CG LEU A 66 3.681 -6.965 -9.293 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.088 -6.550 -7.956 1.00 0.00 C ATOM 953 CD2 LEU A 66 4.929 -6.151 -9.601 1.00 0.00 C ATOM 0 H LEU A 66 3.488 -8.368 -11.722 1.00 0.00 H new ATOM 0 HA LEU A 66 5.844 -8.260 -10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.070 -9.011 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.402 -8.728 -8.320 1.00 0.00 H new ATOM 0 HG LEU A 66 2.942 -6.769 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.866 -5.483 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.170 -7.109 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.802 -6.760 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.682 -5.089 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.690 -6.352 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.310 -6.428 -10.584 1.00 0.00 H new ATOM 965 N LEU A 67 4.624 -11.327 -10.241 1.00 0.00 N ATOM 966 CA LEU A 67 4.976 -12.715 -9.964 1.00 0.00 C ATOM 967 C LEU A 67 5.913 -13.263 -11.035 1.00 0.00 C ATOM 968 O LEU A 67 6.616 -14.248 -10.814 1.00 0.00 O ATOM 969 CB LEU A 67 3.714 -13.576 -9.886 1.00 0.00 C ATOM 970 CG LEU A 67 2.756 -13.260 -8.737 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.382 -13.852 -9.009 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.312 -13.783 -7.420 1.00 0.00 C ATOM 0 H LEU A 67 3.678 -11.195 -10.599 1.00 0.00 H new ATOM 0 HA LEU A 67 5.492 -12.749 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.170 -13.474 -10.825 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.015 -14.620 -9.805 1.00 0.00 H new ATOM 0 HG LEU A 67 2.654 -12.177 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.714 -13.617 -8.180 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.980 -13.430 -9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.466 -14.934 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.617 -13.549 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.444 -14.863 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.274 -13.312 -7.218 1.00 0.00 H new ATOM 984 N ASN A 68 5.920 -12.616 -12.196 1.00 0.00 N ATOM 985 CA ASN A 68 6.772 -13.037 -13.302 1.00 0.00 C ATOM 986 C ASN A 68 8.243 -12.786 -12.981 1.00 0.00 C ATOM 987 O ASN A 68 9.042 -13.719 -12.917 1.00 0.00 O ATOM 988 CB ASN A 68 6.384 -12.297 -14.583 1.00 0.00 C ATOM 989 CG ASN A 68 6.653 -13.119 -15.829 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.802 -13.420 -16.152 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.590 -13.486 -16.537 1.00 0.00 N ATOM 0 H ASN A 68 5.345 -11.798 -12.395 1.00 0.00 H new ATOM 0 HA ASN A 68 6.628 -14.107 -13.452 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.326 -12.038 -14.543 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.940 -11.361 -14.641 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.709 -14.040 -17.385 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.655 -13.214 -16.232 1.00 0.00 H new ATOM 998 N GLU A 69 8.590 -11.518 -12.780 1.00 0.00 N ATOM 999 CA GLU A 69 9.964 -11.145 -12.466 1.00 0.00 C ATOM 1000 C GLU A 69 10.508 -11.986 -11.315 1.00 0.00 C ATOM 1001 O GLU A 69 11.562 -12.611 -11.432 1.00 0.00 O ATOM 1002 CB GLU A 69 10.043 -9.659 -12.109 1.00 0.00 C ATOM 1003 CG GLU A 69 11.413 -9.047 -12.349 1.00 0.00 C ATOM 1004 CD GLU A 69 11.637 -8.667 -13.800 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.533 -9.557 -14.670 1.00 0.00 O ATOM 1006 OE2 GLU A 69 11.915 -7.478 -14.065 1.00 0.00 O ATOM 0 H GLU A 69 7.940 -10.734 -12.829 1.00 0.00 H new ATOM 0 HA GLU A 69 10.575 -11.333 -13.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.303 -9.114 -12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.776 -9.531 -11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.525 -8.161 -11.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.182 -9.755 -12.040 1.00 0.00 H new ATOM 1013 N CYS A 70 9.781 -11.995 -10.203 1.00 0.00 N ATOM 1014 CA CYS A 70 10.189 -12.757 -9.028 1.00 0.00 C ATOM 1015 C CYS A 70 10.386 -14.229 -9.377 1.00 0.00 C ATOM 1016 O CYS A 70 11.457 -14.794 -9.152 1.00 0.00 O ATOM 1017 CB CYS A 70 9.148 -12.618 -7.917 1.00 0.00 C ATOM 1018 SG CYS A 70 9.397 -13.748 -6.527 1.00 0.00 S ATOM 0 H CYS A 70 8.906 -11.483 -10.090 1.00 0.00 H new ATOM 0 HA CYS A 70 11.139 -12.355 -8.676 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.163 -11.593 -7.546 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.157 -12.790 -8.338 1.00 0.00 H new ATOM 0 HG CYS A 70 8.247 -14.200 -6.124 1.00 0.00 H new ATOM 1024 N HIS A 71 9.344 -14.846 -9.926 1.00 0.00 N ATOM 1025 CA HIS A 71 9.401 -16.253 -10.305 1.00 0.00 C ATOM 1026 C HIS A 71 10.753 -16.594 -10.926 1.00 0.00 C ATOM 1027 O HIS A 71 11.347 -17.627 -10.617 1.00 0.00 O ATOM 1028 CB HIS A 71 8.277 -16.585 -11.287 1.00 0.00 C ATOM 1029 CG HIS A 71 6.969 -16.881 -10.622 1.00 0.00 C ATOM 1030 ND1 HIS A 71 5.788 -17.035 -11.318 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.658 -17.054 -9.316 1.00 0.00 C ATOM 1032 CE1 HIS A 71 4.808 -17.287 -10.469 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.310 -17.305 -9.247 1.00 0.00 N ATOM 0 H HIS A 71 8.450 -14.393 -10.118 1.00 0.00 H new ATOM 0 HA HIS A 71 9.274 -16.852 -9.403 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.145 -15.748 -11.972 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.573 -17.445 -11.888 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.343 -17.004 -8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.773 -17.450 -10.729 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.782 -17.477 -8.392 1.00 0.00 H new ATOM 1042 N LYS A 72 11.232 -15.719 -11.804 1.00 0.00 N ATOM 1043 CA LYS A 72 12.513 -15.926 -12.468 1.00 0.00 C ATOM 1044 C LYS A 72 13.649 -15.991 -11.452 1.00 0.00 C ATOM 1045 O LYS A 72 14.353 -16.997 -11.359 1.00 0.00 O ATOM 1046 CB LYS A 72 12.777 -14.803 -13.473 1.00 0.00 C ATOM 1047 CG LYS A 72 11.679 -14.643 -14.510 1.00 0.00 C ATOM 1048 CD LYS A 72 11.806 -13.327 -15.259 1.00 0.00 C ATOM 1049 CE LYS A 72 13.176 -13.184 -15.905 1.00 0.00 C ATOM 1050 NZ LYS A 72 14.182 -12.634 -14.955 1.00 0.00 N ATOM 0 H LYS A 72 10.752 -14.860 -12.072 1.00 0.00 H new ATOM 0 HA LYS A 72 12.469 -16.877 -12.998 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.894 -13.864 -12.933 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.721 -14.998 -13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.722 -15.471 -15.218 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.706 -14.692 -14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.033 -13.267 -16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.638 -12.498 -14.571 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.511 -14.157 -16.266 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.101 -12.530 -16.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.693 -11.849 -15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.700 -12.287 -14.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.856 -13.381 -14.693 1.00 0.00 H new ATOM 1064 N GLN A 73 13.821 -14.914 -10.693 1.00 0.00 N ATOM 1065 CA GLN A 73 14.871 -14.851 -9.684 1.00 0.00 C ATOM 1066 C GLN A 73 14.342 -15.281 -8.320 1.00 0.00 C ATOM 1067 O GLN A 73 14.734 -16.320 -7.790 1.00 0.00 O ATOM 1068 CB GLN A 73 15.441 -13.434 -9.599 1.00 0.00 C ATOM 1069 CG GLN A 73 15.382 -12.674 -10.914 1.00 0.00 C ATOM 1070 CD GLN A 73 15.962 -11.278 -10.809 1.00 0.00 C ATOM 1071 OE1 GLN A 73 16.631 -10.943 -9.830 1.00 0.00 O ATOM 1072 NE2 GLN A 73 15.709 -10.453 -11.818 1.00 0.00 N ATOM 0 H GLN A 73 13.247 -14.073 -10.758 1.00 0.00 H new ATOM 0 HA GLN A 73 15.665 -15.538 -9.979 1.00 0.00 H new ATOM 0 HB2 GLN A 73 14.892 -12.875 -8.841 1.00 0.00 H new ATOM 0 HB3 GLN A 73 16.478 -13.488 -9.266 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.925 -13.232 -11.676 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.346 -12.608 -11.245 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.150 -10.772 -12.610 1.00 0.00 H new ATOM 0 HE22 GLN A 73 16.073 -9.500 -11.802 1.00 0.00 H new ATOM 1081 N GLY A 74 13.447 -14.475 -7.756 1.00 0.00 N ATOM 1082 CA GLY A 74 12.879 -14.790 -6.458 1.00 0.00 C ATOM 1083 C GLY A 74 12.969 -13.628 -5.489 1.00 0.00 C ATOM 1084 O GLY A 74 12.349 -13.647 -4.426 1.00 0.00 O ATOM 0 H GLY A 74 13.105 -13.610 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.834 -15.076 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.398 -15.651 -6.037 1.00 0.00 H new ATOM 1088 N GLY A 75 13.746 -12.613 -5.854 1.00 0.00 N ATOM 1089 CA GLY A 75 13.903 -11.452 -4.997 1.00 0.00 C ATOM 1090 C GLY A 75 13.451 -10.170 -5.668 1.00 0.00 C ATOM 1091 O GLY A 75 14.200 -9.567 -6.439 1.00 0.00 O ATOM 0 H GLY A 75 14.270 -12.574 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.331 -11.600 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.949 -11.357 -4.707 1.00 0.00 H new ATOM 1095 N LEU A 76 12.224 -9.753 -5.379 1.00 0.00 N ATOM 1096 CA LEU A 76 11.672 -8.535 -5.961 1.00 0.00 C ATOM 1097 C LEU A 76 11.323 -7.522 -4.875 1.00 0.00 C ATOM 1098 O LEU A 76 10.535 -7.810 -3.975 1.00 0.00 O ATOM 1099 CB LEU A 76 10.429 -8.860 -6.790 1.00 0.00 C ATOM 1100 CG LEU A 76 10.154 -7.938 -7.978 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.178 -8.166 -9.079 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.743 -8.155 -8.507 1.00 0.00 C ATOM 0 H LEU A 76 11.592 -10.241 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 76 12.430 -8.097 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.522 -9.880 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.561 -8.838 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 76 10.239 -6.906 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.966 -7.501 -9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.177 -7.959 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.126 -9.201 -9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.565 -7.490 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.630 -9.190 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.022 -7.940 -7.718 1.00 0.00 H new ATOM 1114 N ARG A 77 11.913 -6.335 -4.969 1.00 0.00 N ATOM 1115 CA ARG A 77 11.663 -5.279 -3.995 1.00 0.00 C ATOM 1116 C ARG A 77 10.757 -4.201 -4.583 1.00 0.00 C ATOM 1117 O ARG A 77 10.262 -4.333 -5.703 1.00 0.00 O ATOM 1118 CB ARG A 77 12.983 -4.656 -3.537 1.00 0.00 C ATOM 1119 CG ARG A 77 13.908 -4.276 -4.682 1.00 0.00 C ATOM 1120 CD ARG A 77 15.162 -3.580 -4.178 1.00 0.00 C ATOM 1121 NE ARG A 77 14.854 -2.337 -3.476 1.00 0.00 N ATOM 1122 CZ ARG A 77 15.746 -1.378 -3.253 1.00 0.00 C ATOM 1123 NH1 ARG A 77 16.994 -1.519 -3.676 1.00 0.00 N ATOM 1124 NH2 ARG A 77 15.389 -0.276 -2.607 1.00 0.00 N ATOM 0 H ARG A 77 12.567 -6.080 -5.709 1.00 0.00 H new ATOM 0 HA ARG A 77 11.161 -5.723 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.769 -3.767 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.499 -5.359 -2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.186 -5.171 -5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.380 -3.621 -5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.704 -4.249 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.821 -3.367 -5.019 1.00 0.00 H new ATOM 0 HE ARG A 77 13.902 -2.197 -3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.271 -2.365 -4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.677 -0.782 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.429 -0.164 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.074 0.460 -2.436 1.00 0.00 H new ATOM 1138 N LEU A 78 10.543 -3.135 -3.820 1.00 0.00 N ATOM 1139 CA LEU A 78 9.696 -2.034 -4.264 1.00 0.00 C ATOM 1140 C LEU A 78 10.318 -1.314 -5.456 1.00 0.00 C ATOM 1141 O LEU A 78 9.632 -0.985 -6.423 1.00 0.00 O ATOM 1142 CB LEU A 78 9.468 -1.045 -3.119 1.00 0.00 C ATOM 1143 CG LEU A 78 8.414 0.035 -3.364 1.00 0.00 C ATOM 1144 CD1 LEU A 78 7.015 -0.553 -3.267 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.583 1.179 -2.376 1.00 0.00 C ATOM 0 H LEU A 78 10.944 -3.010 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 78 8.737 -2.449 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.182 -1.608 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.416 -0.555 -2.895 1.00 0.00 H new ATOM 0 HG LEU A 78 8.552 0.428 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.278 0.230 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.897 -1.338 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.865 -0.974 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.824 1.938 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.473 0.801 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.574 1.618 -2.494 1.00 0.00 H new ATOM 1157 N ALA A 79 11.623 -1.075 -5.381 1.00 0.00 N ATOM 1158 CA ALA A 79 12.339 -0.399 -6.455 1.00 0.00 C ATOM 1159 C ALA A 79 12.114 -1.099 -7.791 1.00 0.00 C ATOM 1160 O ALA A 79 12.174 -0.472 -8.848 1.00 0.00 O ATOM 1161 CB ALA A 79 13.826 -0.330 -6.137 1.00 0.00 C ATOM 0 H ALA A 79 12.206 -1.340 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 79 11.948 0.615 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.348 0.178 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.974 0.222 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.222 -1.340 -6.026 1.00 0.00 H new ATOM 1167 N GLN A 80 11.857 -2.402 -7.735 1.00 0.00 N ATOM 1168 CA GLN A 80 11.624 -3.187 -8.941 1.00 0.00 C ATOM 1169 C GLN A 80 10.136 -3.255 -9.268 1.00 0.00 C ATOM 1170 O GLN A 80 9.738 -3.123 -10.425 1.00 0.00 O ATOM 1171 CB GLN A 80 12.187 -4.599 -8.772 1.00 0.00 C ATOM 1172 CG GLN A 80 13.570 -4.632 -8.143 1.00 0.00 C ATOM 1173 CD GLN A 80 14.391 -5.822 -8.599 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.751 -6.686 -7.799 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.692 -5.873 -9.891 1.00 0.00 N ATOM 0 H GLN A 80 11.805 -2.936 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 80 12.136 -2.696 -9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.503 -5.182 -8.156 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.229 -5.083 -9.748 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.100 -3.713 -8.392 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.471 -4.658 -7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.373 -5.135 -10.519 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.242 -6.650 -10.256 1.00 0.00 H new ATOM 1184 N ALA A 81 9.319 -3.462 -8.241 1.00 0.00 N ATOM 1185 CA ALA A 81 7.874 -3.546 -8.419 1.00 0.00 C ATOM 1186 C ALA A 81 7.333 -2.301 -9.114 1.00 0.00 C ATOM 1187 O ALA A 81 6.859 -2.369 -10.248 1.00 0.00 O ATOM 1188 CB ALA A 81 7.188 -3.743 -7.075 1.00 0.00 C ATOM 0 H ALA A 81 9.633 -3.575 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 81 7.660 -4.406 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.110 -3.804 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.544 -4.665 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.418 -2.901 -6.422 1.00 0.00 H new ATOM 1194 N ARG A 82 7.408 -1.166 -8.427 1.00 0.00 N ATOM 1195 CA ARG A 82 6.924 0.094 -8.978 1.00 0.00 C ATOM 1196 C ARG A 82 7.302 0.224 -10.450 1.00 0.00 C ATOM 1197 O ARG A 82 6.639 0.928 -11.212 1.00 0.00 O ATOM 1198 CB ARG A 82 7.494 1.273 -8.188 1.00 0.00 C ATOM 1199 CG ARG A 82 8.907 1.654 -8.597 1.00 0.00 C ATOM 1200 CD ARG A 82 9.479 2.731 -7.689 1.00 0.00 C ATOM 1201 NE ARG A 82 10.927 2.857 -7.833 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.511 3.579 -8.784 1.00 0.00 C ATOM 1203 NH1 ARG A 82 10.774 4.236 -9.669 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.834 3.644 -8.850 1.00 0.00 N ATOM 0 H ARG A 82 7.799 -1.093 -7.488 1.00 0.00 H new ATOM 0 HA ARG A 82 5.837 0.103 -8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.842 2.136 -8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.486 1.026 -7.126 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.547 0.772 -8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.905 2.009 -9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.008 3.687 -7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.237 2.497 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 82 11.522 2.364 -7.168 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.756 4.188 -9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.225 4.789 -10.398 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.404 3.140 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.282 4.198 -9.580 1.00 0.00 H new ATOM 1218 N ALA A 83 8.371 -0.460 -10.844 1.00 0.00 N ATOM 1219 CA ALA A 83 8.836 -0.422 -12.225 1.00 0.00 C ATOM 1220 C ALA A 83 8.077 -1.424 -13.088 1.00 0.00 C ATOM 1221 O ALA A 83 7.686 -1.117 -14.215 1.00 0.00 O ATOM 1222 CB ALA A 83 10.331 -0.697 -12.286 1.00 0.00 C ATOM 0 H ALA A 83 8.931 -1.047 -10.226 1.00 0.00 H new ATOM 0 HA ALA A 83 8.644 0.576 -12.619 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.665 -0.666 -13.323 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.864 0.060 -11.710 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.537 -1.682 -11.868 1.00 0.00 H new ATOM 1228 N LEU A 84 7.871 -2.622 -12.553 1.00 0.00 N ATOM 1229 CA LEU A 84 7.158 -3.670 -13.274 1.00 0.00 C ATOM 1230 C LEU A 84 5.773 -3.193 -13.700 1.00 0.00 C ATOM 1231 O LEU A 84 5.178 -3.736 -14.631 1.00 0.00 O ATOM 1232 CB LEU A 84 7.034 -4.922 -12.404 1.00 0.00 C ATOM 1233 CG LEU A 84 8.171 -5.937 -12.523 1.00 0.00 C ATOM 1234 CD1 LEU A 84 8.347 -6.696 -11.217 1.00 0.00 C ATOM 1235 CD2 LEU A 84 7.908 -6.901 -13.671 1.00 0.00 C ATOM 0 H LEU A 84 8.188 -2.892 -11.622 1.00 0.00 H new ATOM 0 HA LEU A 84 7.729 -3.913 -14.170 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.960 -4.610 -11.362 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.099 -5.423 -12.654 1.00 0.00 H new ATOM 0 HG LEU A 84 9.094 -5.397 -12.733 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.161 -7.414 -11.320 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.582 -5.994 -10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.425 -7.225 -10.976 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.728 -7.616 -13.741 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.975 -7.435 -13.491 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.833 -6.343 -14.604 1.00 0.00 H new ATOM 1247 N ILE A 85 5.267 -2.175 -13.013 1.00 0.00 N ATOM 1248 CA ILE A 85 3.954 -1.623 -13.322 1.00 0.00 C ATOM 1249 C ILE A 85 4.068 -0.204 -13.868 1.00 0.00 C ATOM 1250 O ILE A 85 3.153 0.299 -14.520 1.00 0.00 O ATOM 1251 CB ILE A 85 3.042 -1.611 -12.080 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.867 -1.363 -10.816 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.278 -2.922 -11.972 1.00 0.00 C ATOM 1254 CD1 ILE A 85 3.064 -1.471 -9.539 1.00 0.00 C ATOM 0 H ILE A 85 5.746 -1.716 -12.239 1.00 0.00 H new ATOM 0 HA ILE A 85 3.512 -2.268 -14.082 1.00 0.00 H new ATOM 0 HB ILE A 85 2.321 -0.800 -12.185 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.688 -2.080 -10.781 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.313 -0.370 -10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.638 -2.899 -11.090 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.664 -3.060 -12.862 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.984 -3.748 -11.886 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.713 -1.283 -8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.259 -0.736 -9.552 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.640 -2.472 -9.460 1.00 0.00 H new ATOM 1266 N LYS A 86 5.200 0.438 -13.598 1.00 0.00 N ATOM 1267 CA LYS A 86 5.438 1.799 -14.064 1.00 0.00 C ATOM 1268 C LYS A 86 4.393 2.758 -13.502 1.00 0.00 C ATOM 1269 O LYS A 86 3.997 3.717 -14.165 1.00 0.00 O ATOM 1270 CB LYS A 86 5.418 1.847 -15.594 1.00 0.00 C ATOM 1271 CG LYS A 86 6.597 1.140 -16.240 1.00 0.00 C ATOM 1272 CD LYS A 86 6.300 -0.330 -16.486 1.00 0.00 C ATOM 1273 CE LYS A 86 5.528 -0.533 -17.781 1.00 0.00 C ATOM 1274 NZ LYS A 86 6.434 -0.608 -18.960 1.00 0.00 N ATOM 0 H LYS A 86 5.967 0.037 -13.059 1.00 0.00 H new ATOM 0 HA LYS A 86 6.420 2.111 -13.709 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.493 1.394 -15.951 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.408 2.888 -15.916 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.840 1.626 -17.185 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.474 1.233 -15.599 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.235 -0.889 -16.527 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.725 -0.731 -15.651 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.942 -1.449 -17.715 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.823 0.287 -17.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.870 -0.747 -19.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.975 0.276 -19.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.090 -1.406 -18.843 1.00 0.00 H new ATOM 1288 N ILE A 87 3.953 2.493 -12.277 1.00 0.00 N ATOM 1289 CA ILE A 87 2.956 3.334 -11.625 1.00 0.00 C ATOM 1290 C ILE A 87 3.513 3.958 -10.350 1.00 0.00 C ATOM 1291 O ILE A 87 4.485 3.465 -9.779 1.00 0.00 O ATOM 1292 CB ILE A 87 1.685 2.536 -11.280 1.00 0.00 C ATOM 1293 CG1 ILE A 87 1.989 1.487 -10.209 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.118 1.877 -12.529 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.766 1.032 -9.444 1.00 0.00 C ATOM 0 H ILE A 87 4.271 1.703 -11.716 1.00 0.00 H new ATOM 0 HA ILE A 87 2.699 4.124 -12.331 1.00 0.00 H new ATOM 0 HB ILE A 87 0.938 3.225 -10.885 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.455 0.622 -10.681 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.715 1.896 -9.507 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.220 1.317 -12.269 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.868 2.643 -13.263 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.859 1.199 -12.951 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.057 0.289 -8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.312 1.887 -8.943 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.047 0.592 -10.135 1.00 0.00 H new ATOM 1307 N ASP A 88 2.888 5.044 -9.908 1.00 0.00 N ATOM 1308 CA ASP A 88 3.318 5.735 -8.698 1.00 0.00 C ATOM 1309 C ASP A 88 3.600 4.741 -7.576 1.00 0.00 C ATOM 1310 O ASP A 88 2.697 4.052 -7.102 1.00 0.00 O ATOM 1311 CB ASP A 88 2.254 6.738 -8.252 1.00 0.00 C ATOM 1312 CG ASP A 88 2.846 7.915 -7.501 1.00 0.00 C ATOM 1313 OD1 ASP A 88 3.928 8.391 -7.903 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.227 8.360 -6.512 1.00 0.00 O ATOM 0 H ASP A 88 2.082 5.465 -10.370 1.00 0.00 H new ATOM 0 HA ASP A 88 4.239 6.272 -8.924 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.714 7.103 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.527 6.233 -7.616 1.00 0.00 H new ATOM 1319 N VAL A 89 4.859 4.671 -7.156 1.00 0.00 N ATOM 1320 CA VAL A 89 5.260 3.761 -6.089 1.00 0.00 C ATOM 1321 C VAL A 89 4.260 3.788 -4.939 1.00 0.00 C ATOM 1322 O VAL A 89 3.991 2.764 -4.313 1.00 0.00 O ATOM 1323 CB VAL A 89 6.658 4.113 -5.548 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.678 5.533 -5.002 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.082 3.116 -4.480 1.00 0.00 C ATOM 0 H VAL A 89 5.619 5.234 -7.538 1.00 0.00 H new ATOM 0 HA VAL A 89 5.287 2.760 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 89 7.372 4.056 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.674 5.764 -4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.421 6.232 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.953 5.622 -4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.072 3.380 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.368 3.139 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.110 2.114 -4.908 1.00 0.00 H new ATOM 1335 N ASN A 90 3.711 4.968 -4.667 1.00 0.00 N ATOM 1336 CA ASN A 90 2.739 5.128 -3.591 1.00 0.00 C ATOM 1337 C ASN A 90 1.658 4.055 -3.671 1.00 0.00 C ATOM 1338 O ASN A 90 1.217 3.525 -2.650 1.00 0.00 O ATOM 1339 CB ASN A 90 2.101 6.518 -3.656 1.00 0.00 C ATOM 1340 CG ASN A 90 3.118 7.629 -3.481 1.00 0.00 C ATOM 1341 OD1 ASN A 90 4.321 7.379 -3.403 1.00 0.00 O ATOM 1342 ND2 ASN A 90 2.637 8.866 -3.418 1.00 0.00 N ATOM 0 H ASN A 90 3.922 5.826 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 90 3.263 5.020 -2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.596 6.639 -4.615 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.339 6.602 -2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.273 9.655 -3.301 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.632 9.027 -3.487 1.00 0.00 H new ATOM 1349 N LYS A 91 1.233 3.740 -4.889 1.00 0.00 N ATOM 1350 CA LYS A 91 0.204 2.729 -5.104 1.00 0.00 C ATOM 1351 C LYS A 91 0.716 1.343 -4.724 1.00 0.00 C ATOM 1352 O LYS A 91 0.273 0.755 -3.737 1.00 0.00 O ATOM 1353 CB LYS A 91 -0.248 2.734 -6.566 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.469 4.127 -7.129 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.524 4.125 -8.223 1.00 0.00 C ATOM 1356 CE LYS A 91 -2.926 4.236 -7.645 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.972 3.998 -8.678 1.00 0.00 N ATOM 0 H LYS A 91 1.585 4.171 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.647 2.971 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.500 2.221 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.173 2.165 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.775 4.800 -6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.469 4.512 -7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.344 4.956 -8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.442 3.209 -8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.044 3.515 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.063 5.227 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.914 4.082 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.876 4.702 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.858 3.043 -9.074 1.00 0.00 H new ATOM 1371 N THR A 92 1.652 0.826 -5.513 1.00 0.00 N ATOM 1372 CA THR A 92 2.224 -0.491 -5.259 1.00 0.00 C ATOM 1373 C THR A 92 2.588 -0.657 -3.788 1.00 0.00 C ATOM 1374 O THR A 92 2.375 -1.719 -3.203 1.00 0.00 O ATOM 1375 CB THR A 92 3.480 -0.733 -6.118 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.155 -1.916 -5.676 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.426 0.456 -6.040 1.00 0.00 C ATOM 0 H THR A 92 2.030 1.299 -6.334 1.00 0.00 H new ATOM 0 HA THR A 92 1.463 -1.224 -5.527 1.00 0.00 H new ATOM 0 HB THR A 92 3.166 -0.860 -7.154 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.951 -2.064 -6.228 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.305 0.262 -6.654 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.919 1.349 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.733 0.610 -5.005 1.00 0.00 H new ATOM 1385 N ARG A 93 3.138 0.398 -3.196 1.00 0.00 N ATOM 1386 CA ARG A 93 3.532 0.368 -1.793 1.00 0.00 C ATOM 1387 C ARG A 93 2.549 -0.459 -0.970 1.00 0.00 C ATOM 1388 O ARG A 93 2.943 -1.186 -0.057 1.00 0.00 O ATOM 1389 CB ARG A 93 3.613 1.789 -1.233 1.00 0.00 C ATOM 1390 CG ARG A 93 4.984 2.427 -1.388 1.00 0.00 C ATOM 1391 CD ARG A 93 5.265 3.420 -0.271 1.00 0.00 C ATOM 1392 NE ARG A 93 6.625 3.948 -0.338 1.00 0.00 N ATOM 1393 CZ ARG A 93 7.685 3.313 0.148 1.00 0.00 C ATOM 1394 NH1 ARG A 93 7.543 2.132 0.734 1.00 0.00 N ATOM 1395 NH2 ARG A 93 8.891 3.858 0.049 1.00 0.00 N ATOM 0 H ARG A 93 3.321 1.284 -3.666 1.00 0.00 H new ATOM 0 HA ARG A 93 4.516 -0.097 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.873 2.411 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.348 1.770 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.750 1.651 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.044 2.934 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.553 4.243 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.112 2.935 0.693 1.00 0.00 H new ATOM 0 HE ARG A 93 6.768 4.855 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.618 1.709 0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.359 1.646 1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.005 4.766 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.704 3.369 0.423 1.00 0.00 H new ATOM 1409 N LYS A 94 1.266 -0.343 -1.298 1.00 0.00 N ATOM 1410 CA LYS A 94 0.225 -1.080 -0.590 1.00 0.00 C ATOM 1411 C LYS A 94 0.100 -2.500 -1.132 1.00 0.00 C ATOM 1412 O LYS A 94 -0.090 -3.450 -0.371 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.116 -0.355 -0.717 1.00 0.00 C ATOM 1414 CG LYS A 94 -1.032 1.134 -0.430 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.220 1.429 1.049 1.00 0.00 C ATOM 1416 CE LYS A 94 -0.684 2.804 1.416 1.00 0.00 C ATOM 1417 NZ LYS A 94 0.750 2.753 1.813 1.00 0.00 N ATOM 0 H LYS A 94 0.922 0.255 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 94 0.504 -1.135 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.504 -0.501 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.831 -0.809 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.065 1.514 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.793 1.660 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.279 1.371 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.710 0.669 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.802 3.478 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.273 3.217 2.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.077 3.710 2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.860 2.130 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.316 2.383 1.023 1.00 0.00 H new ATOM 1431 N ILE A 95 0.210 -2.638 -2.449 1.00 0.00 N ATOM 1432 CA ILE A 95 0.112 -3.943 -3.090 1.00 0.00 C ATOM 1433 C ILE A 95 1.308 -4.821 -2.738 1.00 0.00 C ATOM 1434 O ILE A 95 1.166 -5.843 -2.067 1.00 0.00 O ATOM 1435 CB ILE A 95 0.019 -3.812 -4.622 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -0.977 -2.715 -5.003 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.385 -5.141 -5.244 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.186 -2.579 -6.495 1.00 0.00 C ATOM 0 H ILE A 95 0.367 -1.862 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.800 -4.409 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 95 1.000 -3.536 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.935 -2.925 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.626 -1.763 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.446 -5.032 -6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.358 -5.899 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.357 -5.445 -4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.904 -1.783 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.237 -2.338 -6.975 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.567 -3.518 -6.896 1.00 0.00 H new ATOM 1450 N TYR A 96 2.488 -4.413 -3.193 1.00 0.00 N ATOM 1451 CA TYR A 96 3.710 -5.162 -2.926 1.00 0.00 C ATOM 1452 C TYR A 96 3.716 -5.706 -1.501 1.00 0.00 C ATOM 1453 O TYR A 96 3.762 -6.917 -1.287 1.00 0.00 O ATOM 1454 CB TYR A 96 4.936 -4.275 -3.151 1.00 0.00 C ATOM 1455 CG TYR A 96 6.237 -4.925 -2.740 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.737 -6.024 -3.429 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.969 -4.440 -1.662 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.925 -6.621 -3.056 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.159 -5.031 -1.283 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.632 -6.121 -1.983 1.00 0.00 C ATOM 1461 OH TYR A 96 9.817 -6.713 -1.609 1.00 0.00 O ATOM 0 H TYR A 96 2.624 -3.568 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 96 3.748 -6.004 -3.617 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.991 -4.007 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.810 -3.348 -2.592 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.187 -6.418 -4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.601 -3.587 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.298 -7.475 -3.602 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.716 -4.642 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 96 10.105 -7.337 -2.307 1.00 0.00 H new ATOM 1471 N ASP A 97 3.668 -4.801 -0.530 1.00 0.00 N ATOM 1472 CA ASP A 97 3.666 -5.187 0.876 1.00 0.00 C ATOM 1473 C ASP A 97 2.642 -6.288 1.136 1.00 0.00 C ATOM 1474 O ASP A 97 2.951 -7.303 1.759 1.00 0.00 O ATOM 1475 CB ASP A 97 3.367 -3.976 1.760 1.00 0.00 C ATOM 1476 CG ASP A 97 4.619 -3.207 2.133 1.00 0.00 C ATOM 1477 OD1 ASP A 97 5.703 -3.825 2.177 1.00 0.00 O ATOM 1478 OD2 ASP A 97 4.515 -1.988 2.383 1.00 0.00 O ATOM 0 H ASP A 97 3.630 -3.794 -0.691 1.00 0.00 H new ATOM 0 HA ASP A 97 4.656 -5.571 1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.678 -3.311 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.864 -4.308 2.668 1.00 0.00 H new ATOM 1483 N PHE A 98 1.421 -6.078 0.655 1.00 0.00 N ATOM 1484 CA PHE A 98 0.350 -7.051 0.836 1.00 0.00 C ATOM 1485 C PHE A 98 0.752 -8.412 0.277 1.00 0.00 C ATOM 1486 O PHE A 98 0.348 -9.454 0.797 1.00 0.00 O ATOM 1487 CB PHE A 98 -0.930 -6.564 0.154 1.00 0.00 C ATOM 1488 CG PHE A 98 -1.929 -7.658 -0.094 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -2.686 -8.173 0.946 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.111 -8.172 -1.368 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -3.607 -9.179 0.720 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.030 -9.177 -1.600 1.00 0.00 C ATOM 1493 CZ PHE A 98 -3.778 -9.683 -0.554 1.00 0.00 C ATOM 0 H PHE A 98 1.149 -5.243 0.137 1.00 0.00 H new ATOM 0 HA PHE A 98 0.166 -7.157 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.392 -5.794 0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.671 -6.097 -0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.555 -7.784 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.528 -7.782 -2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.192 -9.570 1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.164 -9.567 -2.598 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.495 -10.471 -0.733 1.00 0.00 H new ATOM 1503 N LEU A 99 1.548 -8.397 -0.786 1.00 0.00 N ATOM 1504 CA LEU A 99 2.005 -9.630 -1.417 1.00 0.00 C ATOM 1505 C LEU A 99 3.108 -10.288 -0.594 1.00 0.00 C ATOM 1506 O LEU A 99 3.176 -11.513 -0.496 1.00 0.00 O ATOM 1507 CB LEU A 99 2.512 -9.344 -2.832 1.00 0.00 C ATOM 1508 CG LEU A 99 1.486 -8.766 -3.808 1.00 0.00 C ATOM 1509 CD1 LEU A 99 2.075 -8.670 -5.207 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.222 -9.613 -3.817 1.00 0.00 C ATOM 0 H LEU A 99 1.890 -7.545 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 99 1.159 -10.316 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.350 -8.650 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.901 -10.272 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 99 1.224 -7.761 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.331 -8.257 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.951 -8.021 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.366 -9.663 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.497 -9.187 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.468 -10.630 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.212 -9.630 -2.817 1.00 0.00 H new ATOM 1522 N ILE A 100 3.967 -9.465 -0.001 1.00 0.00 N ATOM 1523 CA ILE A 100 5.064 -9.967 0.817 1.00 0.00 C ATOM 1524 C ILE A 100 4.541 -10.702 2.047 1.00 0.00 C ATOM 1525 O ILE A 100 5.071 -11.744 2.432 1.00 0.00 O ATOM 1526 CB ILE A 100 5.995 -8.827 1.271 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.761 -8.258 0.075 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.960 -9.324 2.337 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.924 -9.120 -0.363 1.00 0.00 C ATOM 0 H ILE A 100 3.924 -8.448 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 100 5.630 -10.661 0.195 1.00 0.00 H new ATOM 0 HB ILE A 100 5.387 -8.031 1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.074 -8.137 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.131 -7.265 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.611 -8.507 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.397 -9.686 3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.564 -10.135 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.421 -8.655 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.632 -9.221 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.558 -10.106 -0.650 1.00 0.00 H new ATOM 1541 N ARG A 101 3.497 -10.152 2.658 1.00 0.00 N ATOM 1542 CA ARG A 101 2.901 -10.755 3.844 1.00 0.00 C ATOM 1543 C ARG A 101 1.926 -11.864 3.459 1.00 0.00 C ATOM 1544 O ARG A 101 1.491 -12.642 4.307 1.00 0.00 O ATOM 1545 CB ARG A 101 2.179 -9.693 4.675 1.00 0.00 C ATOM 1546 CG ARG A 101 0.891 -9.194 4.040 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.025 -8.552 5.069 1.00 0.00 C ATOM 1548 NE ARG A 101 -0.913 -7.560 4.468 1.00 0.00 N ATOM 1549 CZ ARG A 101 -1.790 -6.842 5.162 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -1.895 -7.005 6.474 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -2.563 -5.959 4.543 1.00 0.00 N ATOM 0 H ARG A 101 3.046 -9.290 2.351 1.00 0.00 H new ATOM 0 HA ARG A 101 3.703 -11.190 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.953 -10.105 5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.849 -8.847 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.126 -8.471 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.375 -10.025 3.560 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.621 -9.324 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.577 -8.078 5.844 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.857 -7.410 3.461 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.302 -7.683 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.569 -6.453 7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.484 -5.831 3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.236 -5.408 5.076 1.00 0.00 H new ATOM 1565 N GLU A 102 1.588 -11.928 2.175 1.00 0.00 N ATOM 1566 CA GLU A 102 0.664 -12.941 1.679 1.00 0.00 C ATOM 1567 C GLU A 102 1.410 -14.212 1.283 1.00 0.00 C ATOM 1568 O GLU A 102 0.836 -15.299 1.256 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.122 -12.403 0.481 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.371 -11.631 0.869 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.565 -12.535 1.107 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -2.645 -13.596 0.452 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.419 -12.183 1.946 1.00 0.00 O ATOM 0 H GLU A 102 1.940 -11.291 1.460 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.032 -13.185 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.527 -11.755 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.406 -13.237 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.171 -11.054 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.612 -10.917 0.081 1.00 0.00 H new ATOM 1580 N GLY A 103 2.695 -14.065 0.975 1.00 0.00 N ATOM 1581 CA GLY A 103 3.500 -15.208 0.584 1.00 0.00 C ATOM 1582 C GLY A 103 3.550 -15.394 -0.919 1.00 0.00 C ATOM 1583 O GLY A 103 3.799 -16.496 -1.407 1.00 0.00 O ATOM 0 H GLY A 103 3.193 -13.175 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.513 -15.082 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.095 -16.109 1.045 1.00 0.00 H new ATOM 1587 N TYR A 104 3.312 -14.314 -1.655 1.00 0.00 N ATOM 1588 CA TYR A 104 3.328 -14.364 -3.113 1.00 0.00 C ATOM 1589 C TYR A 104 4.718 -14.047 -3.654 1.00 0.00 C ATOM 1590 O TYR A 104 5.134 -14.583 -4.682 1.00 0.00 O ATOM 1591 CB TYR A 104 2.308 -13.381 -3.689 1.00 0.00 C ATOM 1592 CG TYR A 104 0.875 -13.845 -3.552 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.362 -14.832 -4.385 1.00 0.00 C ATOM 1594 CD2 TYR A 104 0.034 -13.296 -2.592 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -0.946 -15.260 -4.265 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.275 -13.718 -2.464 1.00 0.00 C ATOM 1597 CZ TYR A 104 -1.760 -14.700 -3.303 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.064 -15.122 -3.179 1.00 0.00 O ATOM 0 H TYR A 104 3.106 -13.394 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 104 3.061 -15.375 -3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.419 -12.420 -3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.529 -13.218 -4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.997 -15.272 -5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.410 -12.526 -1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.329 -16.028 -4.920 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -1.915 -13.282 -1.711 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.500 -14.628 -2.454 1.00 0.00 H new ATOM 1608 N ILE A 105 5.433 -13.173 -2.954 1.00 0.00 N ATOM 1609 CA ILE A 105 6.778 -12.785 -3.362 1.00 0.00 C ATOM 1610 C ILE A 105 7.707 -12.674 -2.158 1.00 0.00 C ATOM 1611 O ILE A 105 7.308 -12.940 -1.024 1.00 0.00 O ATOM 1612 CB ILE A 105 6.772 -11.443 -4.117 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.818 -10.456 -3.440 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.379 -11.655 -5.571 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.790 -9.094 -4.098 1.00 0.00 C ATOM 0 H ILE A 105 5.104 -12.720 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 105 7.143 -13.566 -4.029 1.00 0.00 H new ATOM 0 HB ILE A 105 7.778 -11.024 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.811 -10.874 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.109 -10.340 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.379 -10.697 -6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 105 7.094 -12.327 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.382 -12.093 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.093 -8.447 -3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.787 -8.655 -4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.470 -9.197 -5.135 1.00 0.00 H new ATOM 1627 N THR A 106 8.951 -12.277 -2.412 1.00 0.00 N ATOM 1628 CA THR A 106 9.938 -12.130 -1.350 1.00 0.00 C ATOM 1629 C THR A 106 10.629 -10.773 -1.426 1.00 0.00 C ATOM 1630 O THR A 106 10.773 -10.198 -2.505 1.00 0.00 O ATOM 1631 CB THR A 106 11.003 -13.241 -1.414 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.423 -14.445 -1.928 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.595 -13.503 -0.038 1.00 0.00 C ATOM 0 H THR A 106 9.298 -12.052 -3.344 1.00 0.00 H new ATOM 0 HA THR A 106 9.400 -12.208 -0.405 1.00 0.00 H new ATOM 0 HB THR A 106 11.802 -12.911 -2.078 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.106 -15.146 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.344 -14.291 -0.108 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.061 -12.592 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.804 -13.814 0.645 1.00 0.00 H new ATOM 1641 N LYS A 107 11.056 -10.267 -0.274 1.00 0.00 N ATOM 1642 CA LYS A 107 11.735 -8.978 -0.210 1.00 0.00 C ATOM 1643 C LYS A 107 13.215 -9.125 -0.547 1.00 0.00 C ATOM 1644 O LYS A 107 13.920 -9.936 0.052 1.00 0.00 O ATOM 1645 CB LYS A 107 11.578 -8.364 1.183 1.00 0.00 C ATOM 1646 CG LYS A 107 11.579 -6.845 1.182 1.00 0.00 C ATOM 1647 CD LYS A 107 10.766 -6.286 2.338 1.00 0.00 C ATOM 1648 CE LYS A 107 9.272 -6.415 2.082 1.00 0.00 C ATOM 1649 NZ LYS A 107 8.476 -6.187 3.320 1.00 0.00 N ATOM 0 H LYS A 107 10.944 -10.730 0.628 1.00 0.00 H new ATOM 0 HA LYS A 107 11.276 -8.318 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.646 -8.718 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.388 -8.719 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.604 -6.481 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.171 -6.481 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.026 -6.814 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.021 -5.237 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.971 -5.697 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.055 -7.408 1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.463 -6.284 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.745 -6.888 4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.663 -5.230 3.682 1.00 0.00 H new ATOM 1663 N ALA A 108 13.680 -8.335 -1.510 1.00 0.00 N ATOM 1664 CA ALA A 108 15.077 -8.375 -1.924 1.00 0.00 C ATOM 1665 C ALA A 108 15.956 -7.575 -0.969 1.00 0.00 C ATOM 1666 O ALA A 108 17.050 -8.009 -0.605 1.00 0.00 O ATOM 1667 CB ALA A 108 15.222 -7.849 -3.344 1.00 0.00 C ATOM 0 H ALA A 108 13.109 -7.659 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 108 15.408 -9.413 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.270 -7.885 -3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.632 -8.466 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.867 -6.819 -3.389 1.00 0.00 H new