USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 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: 1 87 ASN : amide:sc= -7.47! C(o=-6.8!,f=-13!) USER MOD Set 1.2: 1 109 THR OG1 : rot 158:sc= 0.646 USER MOD Set 2.1: 1 49 THR OG1 : rot 179:sc= -1.77 USER MOD Set 2.2: 1 53 ASN : amide:sc= -4.42! C(o=-6.2!,f=-8.3!) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 24 TYR OH : rot 13:sc= -6.44! USER MOD Single : 1 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 30 GLN : amide:sc= -13.9! C(o=-14!,f=-8.9!) USER MOD Single : 1 31 LYS NZ :NH3+ 159:sc= 0.396 (180deg=-0.157) USER MOD Single : 1 33 ASN : amide:sc= -0.955 K(o=-0.95,f=-0.33) USER MOD Single : 1 37 GLN : amide:sc= -15.8! C(o=-16!,f=-19!) USER MOD Single : 1 40 ASN : amide:sc= -6.05! C(o=-6!,f=-9.7!) USER MOD Single : 1 41 ASN : amide:sc= -16.2! C(o=-16!,f=-9.7!) USER MOD Single : 1 46 THR OG1 : rot -81:sc= 0.521 USER MOD Single : 1 64 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 65 SER OG : rot 180:sc= 0.0132 USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 80 TYR OH : rot 180:sc= 0 USER MOD Single : 1 84 ASN : amide:sc= -4.24 K(o=-4.2,f=-3.5) USER MOD Single : 1 86 ASN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : 1 89 LYS NZ :NH3+ 133:sc= -2.14 (180deg=-5.11!) USER MOD Single : 1 90 SER OG : rot 180:sc= -0.0169 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0.105 USER MOD Single : 1 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 98 SER OG : rot -76:sc= 0.282 USER MOD Single : 1 102 SER OG : rot 180:sc= 0 USER MOD Single : 1 105 GLN : amide:sc= -4.04! C(o=-4!,f=-4.5!) USER MOD Single : 1 107 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.077) USER MOD Single : 1 110 THR OG1 : rot 98:sc= -0.0991! USER MOD Single : 1 113 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Single : 1 117 ASN : amide:sc= -14.9! C(o=-15!,f=-20!) USER MOD Single : 1 118 THR OG1 : rot -45:sc= -0.636 USER MOD Single : 1 119 THR OG1 : rot -47:sc= 0.431 USER MOD Single : 1 120 SER OG : rot -149:sc= -1.15! USER MOD Single : 1 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 123 ASN : amide:sc= -21.3! C(o=-21!,f=-20!) USER MOD Single : 1 126 TYR OH : rot 180:sc= 0 USER MOD Single : 1 128 LYS NZ :NH3+ -168:sc= 0.618 (180deg=-0.306!) USER MOD ----------------------------------------------------------------- ATOM 320 N LYS 1 22 9.958 -0.130 -3.807 1.00 0.00 N ATOM 321 CA LYS 1 22 10.420 -1.499 -3.687 1.00 0.00 C ATOM 322 C LYS 1 22 9.254 -2.432 -3.355 1.00 0.00 C ATOM 323 O LYS 1 22 8.144 -1.981 -3.072 1.00 0.00 O ATOM 324 CB LYS 1 22 11.514 -1.590 -2.630 1.00 0.00 C ATOM 325 CG LYS 1 22 12.907 -1.744 -3.223 1.00 0.00 C ATOM 326 CD LYS 1 22 13.871 -2.392 -2.244 1.00 0.00 C ATOM 327 CE LYS 1 22 15.287 -2.424 -2.798 1.00 0.00 C ATOM 328 NZ LYS 1 22 15.631 -3.755 -3.371 1.00 0.00 N ATOM 0 HA LYS 1 22 10.839 -1.816 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.487 -0.694 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.309 -2.437 -1.975 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 12.851 -2.346 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 13.288 -0.765 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 13.859 -1.843 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 13.541 -3.408 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 15.393 -1.659 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 15.993 -2.177 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 16.604 -3.734 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 15.555 -4.482 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 14.974 -3.980 -4.145 1.00 0.00 H new ATOM 342 N ILE 1 23 9.501 -3.732 -3.448 1.00 0.00 N ATOM 343 CA ILE 1 23 8.482 -4.739 -3.222 1.00 0.00 C ATOM 344 C ILE 1 23 8.058 -4.915 -1.762 1.00 0.00 C ATOM 345 O ILE 1 23 8.807 -4.638 -0.825 1.00 0.00 O ATOM 346 CB ILE 1 23 8.982 -6.090 -3.768 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.149 -6.480 -4.970 1.00 0.00 C ATOM 348 CG2 ILE 1 23 8.957 -7.185 -2.709 1.00 0.00 C ATOM 349 CD1 ILE 1 23 8.988 -6.856 -6.167 1.00 0.00 C ATOM 0 H ILE 1 23 10.417 -4.115 -3.683 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.594 -4.387 -3.747 1.00 0.00 H new ATOM 0 HB ILE 1 23 10.024 -5.974 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.507 -7.320 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.494 -5.650 -5.237 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.318 -8.118 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.598 -6.899 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 7.936 -7.322 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.336 -7.126 -6.998 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.611 -6.009 -6.455 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.624 -7.705 -5.914 1.00 0.00 H new ATOM 361 N TYR 1 24 6.841 -5.441 -1.624 1.00 0.00 N ATOM 362 CA TYR 1 24 6.216 -5.760 -0.360 1.00 0.00 C ATOM 363 C TYR 1 24 6.165 -7.269 -0.266 1.00 0.00 C ATOM 364 O TYR 1 24 6.392 -7.949 -1.260 1.00 0.00 O ATOM 365 CB TYR 1 24 4.785 -5.270 -0.353 1.00 0.00 C ATOM 366 CG TYR 1 24 4.538 -3.905 0.230 1.00 0.00 C ATOM 367 CD1 TYR 1 24 4.959 -2.755 -0.418 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.851 -3.774 1.423 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.701 -1.509 0.114 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.593 -2.539 1.964 1.00 0.00 C ATOM 371 CZ TYR 1 24 4.016 -1.409 1.307 1.00 0.00 C ATOM 372 OH TYR 1 24 3.744 -0.175 1.840 1.00 0.00 O ATOM 0 H TYR 1 24 6.249 -5.661 -2.425 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.771 -5.301 0.458 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.420 -5.272 -1.380 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.182 -5.990 0.200 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.496 -2.835 -1.352 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.511 -4.660 1.939 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 5.033 -0.619 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 3.061 -2.456 2.900 1.00 0.00 H new ATOM 0 HH TYR 1 24 3.913 0.517 1.167 1.00 0.00 H new ATOM 382 N LYS 1 25 5.827 -7.808 0.882 1.00 0.00 N ATOM 383 CA LYS 1 25 5.718 -9.249 0.997 1.00 0.00 C ATOM 384 C LYS 1 25 4.291 -9.666 1.318 1.00 0.00 C ATOM 385 O LYS 1 25 3.809 -9.462 2.424 1.00 0.00 O ATOM 386 CB LYS 1 25 6.658 -9.769 2.054 1.00 0.00 C ATOM 387 CG LYS 1 25 8.104 -9.840 1.593 1.00 0.00 C ATOM 388 CD LYS 1 25 8.368 -11.092 0.776 1.00 0.00 C ATOM 389 CE LYS 1 25 9.670 -11.755 1.193 1.00 0.00 C ATOM 390 NZ LYS 1 25 10.484 -12.179 0.020 1.00 0.00 N ATOM 0 H LYS 1 25 5.626 -7.286 1.735 1.00 0.00 H new ATOM 0 HA LYS 1 25 5.994 -9.682 0.035 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.596 -9.127 2.933 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.333 -10.763 2.362 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.340 -8.959 0.997 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 8.764 -9.824 2.460 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 7.543 -11.793 0.903 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 8.410 -10.837 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 10.249 -11.063 1.804 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 9.451 -12.623 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 11.363 -12.626 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 9.943 -12.860 -0.550 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 10.716 -11.348 -0.560 1.00 0.00 H new ATOM 404 N VAL 1 26 3.605 -10.267 0.367 1.00 0.00 N ATOM 405 CA VAL 1 26 2.256 -10.693 0.616 1.00 0.00 C ATOM 406 C VAL 1 26 2.268 -11.992 1.374 1.00 0.00 C ATOM 407 O VAL 1 26 2.133 -13.080 0.812 1.00 0.00 O ATOM 408 CB VAL 1 26 1.403 -10.806 -0.640 1.00 0.00 C ATOM 409 CG1 VAL 1 26 0.098 -10.148 -0.347 1.00 0.00 C ATOM 410 CG2 VAL 1 26 2.070 -10.151 -1.824 1.00 0.00 C ATOM 0 H VAL 1 26 3.958 -10.466 -0.569 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.786 -9.914 1.216 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.263 -11.855 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.545 -10.208 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.384 -10.653 0.490 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.267 -9.102 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.432 -10.251 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.232 -9.094 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 3.029 -10.634 -2.015 1.00 0.00 H new ATOM 420 N ASP 1 27 2.476 -11.825 2.661 1.00 0.00 N ATOM 421 CA ASP 1 27 2.566 -12.928 3.611 1.00 0.00 C ATOM 422 C ASP 1 27 1.198 -13.438 4.019 1.00 0.00 C ATOM 423 O ASP 1 27 1.048 -14.604 4.383 1.00 0.00 O ATOM 424 CB ASP 1 27 3.398 -12.508 4.830 1.00 0.00 C ATOM 425 CG ASP 1 27 4.875 -12.541 4.511 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.480 -13.627 4.620 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.424 -11.482 4.144 1.00 0.00 O ATOM 0 H ASP 1 27 2.590 -10.907 3.091 1.00 0.00 H new ATOM 0 HA ASP 1 27 3.071 -13.758 3.118 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 3.112 -11.504 5.143 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 3.187 -13.174 5.666 1.00 0.00 H new ATOM 432 N ASP 1 28 0.198 -12.574 3.959 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.148 -12.982 4.328 1.00 0.00 C ATOM 434 C ASP 1 28 -2.179 -11.892 4.081 1.00 0.00 C ATOM 435 O ASP 1 28 -2.174 -10.850 4.733 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.179 -13.395 5.798 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.313 -14.353 6.104 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -3.481 -13.975 5.887 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -2.031 -15.481 6.559 1.00 0.00 O ATOM 0 H ASP 1 28 0.289 -11.602 3.664 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.412 -13.827 3.693 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.230 -13.863 6.061 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.280 -12.506 6.421 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.092 -12.164 3.158 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.162 -11.238 2.856 1.00 0.00 C ATOM 446 C LEU 1 29 -5.497 -11.963 2.848 1.00 0.00 C ATOM 447 O LEU 1 29 -5.606 -13.082 2.360 1.00 0.00 O ATOM 448 CB LEU 1 29 -3.935 -10.493 1.560 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.113 -10.532 0.608 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.313 -9.195 -0.060 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -4.900 -11.646 -0.370 1.00 0.00 C ATOM 0 H LEU 1 29 -3.108 -13.022 2.607 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.175 -10.485 3.644 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.700 -9.453 1.788 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.063 -10.914 1.059 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.035 -10.729 1.156 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.165 -9.251 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.501 -8.434 0.698 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.418 -8.932 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -5.740 -11.687 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -3.979 -11.471 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -4.825 -12.592 0.167 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.488 -11.302 3.424 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.841 -11.828 3.570 1.00 0.00 C ATOM 465 C GLN 1 30 -8.912 -10.840 3.163 1.00 0.00 C ATOM 466 O GLN 1 30 -8.688 -9.634 3.153 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.084 -12.177 5.046 1.00 0.00 C ATOM 468 CG GLN 1 30 -7.991 -13.653 5.360 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.714 -14.238 4.834 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -5.806 -14.581 5.590 1.00 0.00 O ATOM 471 NE2 GLN 1 30 -6.646 -14.358 3.523 1.00 0.00 N ATOM 0 H GLN 1 30 -6.375 -10.365 3.812 1.00 0.00 H new ATOM 0 HA GLN 1 30 -7.909 -12.697 2.916 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.359 -11.641 5.658 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.072 -11.818 5.334 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -8.046 -13.803 6.438 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -8.841 -14.175 4.922 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -7.429 -14.057 2.942 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -5.811 -14.751 3.090 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.115 -11.354 2.907 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.219 -10.471 2.621 1.00 0.00 C ATOM 482 C LYS 1 31 -11.513 -9.821 3.965 1.00 0.00 C ATOM 483 O LYS 1 31 -11.982 -10.476 4.896 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.424 -11.250 2.081 1.00 0.00 C ATOM 485 CG LYS 1 31 -13.343 -10.467 1.144 1.00 0.00 C ATOM 486 CD LYS 1 31 -12.689 -9.228 0.552 1.00 0.00 C ATOM 487 CE LYS 1 31 -13.431 -8.756 -0.691 1.00 0.00 C ATOM 488 NZ LYS 1 31 -13.269 -7.294 -0.917 1.00 0.00 N ATOM 0 H LYS 1 31 -10.336 -12.350 2.894 1.00 0.00 H new ATOM 0 HA LYS 1 31 -10.992 -9.737 1.848 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.059 -12.131 1.552 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.013 -11.607 2.926 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -13.666 -11.121 0.334 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -14.239 -10.170 1.690 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.674 -8.431 1.295 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -11.652 -9.447 0.299 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -13.063 -9.300 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -14.491 -8.992 -0.592 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -13.467 -7.073 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -13.932 -6.773 -0.309 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -12.295 -7.013 -0.687 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.074 -8.583 4.105 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.119 -7.899 5.386 1.00 0.00 C ATOM 504 C ILE 1 32 -11.868 -6.570 5.358 1.00 0.00 C ATOM 505 O ILE 1 32 -11.510 -5.648 4.627 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.642 -7.715 5.783 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -8.963 -9.083 5.704 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.434 -7.070 7.139 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.047 -9.379 6.842 1.00 0.00 C ATOM 0 H ILE 1 32 -10.681 -8.029 3.345 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.682 -8.486 6.111 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.191 -7.011 5.083 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.731 -9.855 5.661 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.399 -9.142 4.773 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.366 -6.979 7.339 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -9.890 -6.080 7.145 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -9.896 -7.687 7.910 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -7.608 -10.367 6.708 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.255 -8.631 6.875 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -8.608 -9.355 7.776 1.00 0.00 H new ATOM 521 N ASN 1 33 -12.915 -6.483 6.180 1.00 0.00 N ATOM 522 CA ASN 1 33 -13.722 -5.279 6.268 1.00 0.00 C ATOM 523 C ASN 1 33 -14.354 -4.969 4.917 1.00 0.00 C ATOM 524 O ASN 1 33 -14.501 -3.808 4.537 1.00 0.00 O ATOM 525 CB ASN 1 33 -12.861 -4.108 6.734 1.00 0.00 C ATOM 526 CG ASN 1 33 -12.755 -4.032 8.245 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -12.995 -2.982 8.842 1.00 0.00 O ATOM 528 ND2 ASN 1 33 -12.394 -5.146 8.872 1.00 0.00 N ATOM 0 H ASN 1 33 -13.220 -7.239 6.794 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.519 -5.439 6.994 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -11.863 -4.202 6.307 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -13.283 -3.177 6.355 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -12.306 -5.154 9.888 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -12.205 -5.994 8.337 1.00 0.00 H new ATOM 535 N GLY 1 34 -14.714 -6.025 4.193 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.309 -5.865 2.889 1.00 0.00 C ATOM 537 C GLY 1 34 -14.280 -5.489 1.839 1.00 0.00 C ATOM 538 O GLY 1 34 -14.623 -5.220 0.687 1.00 0.00 O ATOM 0 H GLY 1 34 -14.601 -6.993 4.494 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -15.801 -6.793 2.598 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -16.080 -5.096 2.934 1.00 0.00 H new ATOM 542 N ILE 1 35 -13.014 -5.461 2.247 1.00 0.00 N ATOM 543 CA ILE 1 35 -11.923 -5.109 1.366 1.00 0.00 C ATOM 544 C ILE 1 35 -10.761 -6.076 1.563 1.00 0.00 C ATOM 545 O ILE 1 35 -10.402 -6.398 2.694 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.429 -3.670 1.646 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.192 -3.049 2.826 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -11.575 -2.803 0.405 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -11.322 -2.233 3.750 1.00 0.00 C ATOM 0 H ILE 1 35 -12.724 -5.683 3.199 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.288 -5.167 0.340 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.373 -3.721 1.911 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -12.989 -2.415 2.438 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -12.668 -3.845 3.399 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -11.222 -1.795 0.622 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -10.984 -3.227 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -12.623 -2.765 0.109 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -11.930 -1.827 4.558 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -10.540 -2.867 4.168 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -10.866 -1.415 3.192 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.154 -6.526 0.474 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.027 -7.444 0.578 1.00 0.00 C ATOM 563 C TRP 1 36 -7.908 -6.768 1.366 1.00 0.00 C ATOM 564 O TRP 1 36 -7.543 -5.636 1.061 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.543 -7.847 -0.819 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.557 -8.652 -1.573 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.301 -8.243 -2.643 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -9.958 -10.000 -1.300 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -11.136 -9.255 -3.052 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -10.945 -10.343 -2.242 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.580 -10.949 -0.345 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.557 -11.595 -2.260 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -10.187 -12.192 -0.364 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -11.167 -12.505 -1.315 1.00 0.00 C ATOM 0 H TRP 1 36 -10.417 -6.275 -0.479 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.335 -8.350 1.100 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.302 -6.949 -1.388 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.622 -8.424 -0.728 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.242 -7.267 -3.101 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.791 -9.204 -3.832 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -8.828 -10.716 0.394 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -12.312 -11.838 -2.993 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -9.900 -12.934 0.367 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -11.624 -13.484 -1.302 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.389 -7.434 2.397 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.350 -6.831 3.224 1.00 0.00 C ATOM 587 C GLN 1 37 -5.061 -7.607 3.141 1.00 0.00 C ATOM 588 O GLN 1 37 -5.072 -8.820 3.021 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.824 -6.745 4.663 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.776 -6.270 5.647 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.659 -7.127 6.915 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.754 -6.627 8.036 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.434 -8.414 6.756 1.00 0.00 N ATOM 0 H GLN 1 37 -7.666 -8.375 2.675 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.155 -5.827 2.848 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.679 -6.071 4.710 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.176 -7.728 4.975 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.808 -6.250 5.146 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -6.006 -5.245 5.937 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.359 -8.806 5.818 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.335 -9.019 7.571 1.00 0.00 H new ATOM 602 N VAL 1 38 -3.954 -6.880 3.173 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.641 -7.487 3.039 1.00 0.00 C ATOM 604 C VAL 1 38 -1.782 -7.427 4.292 1.00 0.00 C ATOM 605 O VAL 1 38 -1.897 -6.502 5.103 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.881 -6.791 1.892 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.574 -7.512 1.598 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.754 -6.735 0.648 1.00 0.00 C ATOM 0 H VAL 1 38 -3.941 -5.867 3.291 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.820 -8.543 2.838 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.643 -5.772 2.199 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.053 -7.005 0.786 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 0.053 -7.507 2.490 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.784 -8.541 1.308 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.209 -6.242 -0.157 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.016 -7.748 0.342 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.663 -6.175 0.867 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.901 -8.433 4.411 1.00 0.00 N ATOM 619 CA ARG 1 39 0.037 -8.528 5.519 1.00 0.00 C ATOM 620 C ARG 1 39 1.374 -9.106 5.058 1.00 0.00 C ATOM 621 O ARG 1 39 1.403 -10.041 4.259 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.528 -9.407 6.639 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.811 -8.882 7.225 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.757 -10.000 7.631 1.00 0.00 C ATOM 625 NE ARG 1 39 -2.176 -10.891 8.632 1.00 0.00 N ATOM 626 CZ ARG 1 39 -2.827 -11.925 9.162 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -4.063 -12.208 8.768 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -2.243 -12.680 10.081 1.00 0.00 N ATOM 0 H ARG 1 39 -0.826 -9.197 3.739 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.195 -7.518 5.897 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.699 -10.411 6.251 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.215 -9.494 7.432 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.585 -8.265 8.095 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.304 -8.238 6.497 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -3.677 -9.568 8.025 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.029 -10.579 6.749 1.00 0.00 H new ATOM 0 HE ARG 1 39 -1.221 -10.712 8.942 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -4.516 -11.633 8.058 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.559 -13.000 9.176 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -1.292 -12.470 10.385 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -2.744 -13.471 10.485 1.00 0.00 H new ATOM 642 N ASN 1 40 2.474 -8.620 5.629 1.00 0.00 N ATOM 643 CA ASN 1 40 3.774 -9.173 5.339 1.00 0.00 C ATOM 644 C ASN 1 40 4.488 -9.390 6.632 1.00 0.00 C ATOM 645 O ASN 1 40 4.242 -8.723 7.618 1.00 0.00 O ATOM 646 CB ASN 1 40 4.694 -8.349 4.451 1.00 0.00 C ATOM 647 CG ASN 1 40 4.043 -7.210 3.714 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.877 -7.278 3.324 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.810 -6.152 3.521 1.00 0.00 N ATOM 0 H ASN 1 40 2.480 -7.846 6.293 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.562 -10.082 4.776 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.498 -7.946 5.067 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.155 -9.014 3.720 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.442 -5.339 3.028 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.770 -6.148 3.865 1.00 0.00 H new ATOM 656 N ASN 1 41 5.355 -10.332 6.602 1.00 0.00 N ATOM 657 CA ASN 1 41 6.140 -10.698 7.753 1.00 0.00 C ATOM 658 C ASN 1 41 7.044 -9.548 8.236 1.00 0.00 C ATOM 659 O ASN 1 41 7.565 -9.599 9.350 1.00 0.00 O ATOM 660 CB ASN 1 41 7.000 -11.926 7.418 1.00 0.00 C ATOM 661 CG ASN 1 41 7.407 -11.964 5.951 1.00 0.00 C ATOM 662 OD1 ASN 1 41 7.621 -13.029 5.373 1.00 0.00 O ATOM 663 ND2 ASN 1 41 7.519 -10.783 5.357 1.00 0.00 N ATOM 0 H ASN 1 41 5.553 -10.888 5.770 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.448 -10.930 8.562 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.894 -11.921 8.041 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.446 -12.832 7.663 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 7.794 -10.729 4.376 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 7.330 -9.929 5.881 1.00 0.00 H new ATOM 670 N ILE 1 42 7.243 -8.518 7.402 1.00 0.00 N ATOM 671 CA ILE 1 42 8.080 -7.407 7.758 1.00 0.00 C ATOM 672 C ILE 1 42 7.298 -6.380 8.542 1.00 0.00 C ATOM 673 O ILE 1 42 7.704 -5.949 9.622 1.00 0.00 O ATOM 674 CB ILE 1 42 8.612 -6.728 6.508 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.212 -7.756 5.581 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.620 -5.686 6.876 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.235 -8.190 4.529 1.00 0.00 C ATOM 0 H ILE 1 42 6.824 -8.449 6.474 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.901 -7.794 8.362 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.789 -6.236 5.990 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 10.100 -7.342 5.104 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.535 -8.623 6.158 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.994 -5.206 5.972 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.153 -4.938 7.517 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.449 -6.153 7.408 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.703 -8.930 3.881 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.358 -8.628 5.005 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.933 -7.327 3.935 1.00 0.00 H new ATOM 689 N LEU 1 43 6.155 -6.008 7.985 1.00 0.00 N ATOM 690 CA LEU 1 43 5.284 -5.056 8.619 1.00 0.00 C ATOM 691 C LEU 1 43 4.151 -5.773 9.327 1.00 0.00 C ATOM 692 O LEU 1 43 3.401 -5.161 10.080 1.00 0.00 O ATOM 693 CB LEU 1 43 4.684 -4.080 7.612 1.00 0.00 C ATOM 694 CG LEU 1 43 5.670 -3.361 6.699 1.00 0.00 C ATOM 695 CD1 LEU 1 43 7.017 -3.151 7.374 1.00 0.00 C ATOM 696 CD2 LEU 1 43 5.827 -4.108 5.387 1.00 0.00 C ATOM 0 H LEU 1 43 5.816 -6.359 7.089 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.887 -4.497 9.335 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 3.975 -4.624 6.989 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.115 -3.329 8.160 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.261 -2.373 6.486 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.691 -2.635 6.689 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 6.884 -2.550 8.273 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.443 -4.117 7.644 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.535 -3.579 4.749 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.198 -5.114 5.583 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 4.861 -4.168 4.885 1.00 0.00 H new ATOM 708 N VAL 1 44 4.003 -7.070 9.065 1.00 0.00 N ATOM 709 CA VAL 1 44 2.925 -7.813 9.682 1.00 0.00 C ATOM 710 C VAL 1 44 3.297 -9.248 9.939 1.00 0.00 C ATOM 711 O VAL 1 44 2.778 -10.170 9.305 1.00 0.00 O ATOM 712 CB VAL 1 44 1.646 -7.773 8.866 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.454 -8.059 9.763 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.499 -6.438 8.168 1.00 0.00 C ATOM 0 H VAL 1 44 4.604 -7.611 8.444 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.746 -7.315 10.635 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.691 -8.543 8.096 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.461 -8.029 9.172 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.564 -9.046 10.211 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.402 -7.307 10.550 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.576 -6.430 7.589 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.468 -5.641 8.911 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.347 -6.281 7.502 1.00 0.00 H new ATOM 724 N PRO 1 45 4.178 -9.458 10.903 1.00 0.00 N ATOM 725 CA PRO 1 45 4.597 -10.785 11.300 1.00 0.00 C ATOM 726 C PRO 1 45 3.372 -11.644 11.524 1.00 0.00 C ATOM 727 O PRO 1 45 3.365 -12.849 11.271 1.00 0.00 O ATOM 728 CB PRO 1 45 5.317 -10.498 12.610 1.00 0.00 C ATOM 729 CG PRO 1 45 5.881 -9.153 12.424 1.00 0.00 C ATOM 730 CD PRO 1 45 4.796 -8.413 11.723 1.00 0.00 C ATOM 0 HA PRO 1 45 5.215 -11.316 10.575 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.631 -10.529 13.457 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 6.097 -11.234 12.805 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.132 -8.688 13.377 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.796 -9.180 11.832 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 4.086 -7.974 12.424 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.188 -7.598 11.114 1.00 0.00 H new ATOM 738 N THR 1 46 2.327 -10.964 11.979 1.00 0.00 N ATOM 739 CA THR 1 46 1.037 -11.575 12.245 1.00 0.00 C ATOM 740 C THR 1 46 0.113 -10.607 12.983 1.00 0.00 C ATOM 741 O THR 1 46 0.573 -9.733 13.720 1.00 0.00 O ATOM 742 CB THR 1 46 1.209 -12.845 13.087 1.00 0.00 C ATOM 743 OG1 THR 1 46 -0.008 -13.574 13.144 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.656 -12.567 14.510 1.00 0.00 C ATOM 0 H THR 1 46 2.355 -9.963 12.175 1.00 0.00 H new ATOM 0 HA THR 1 46 0.589 -11.831 11.285 1.00 0.00 H new ATOM 0 HB THR 1 46 1.990 -13.421 12.591 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.591 -13.185 13.829 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.758 -13.508 15.050 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.616 -12.051 14.496 1.00 0.00 H new ATOM 0 HG23 THR 1 46 0.915 -11.941 15.008 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.194 -10.808 12.823 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.204 -9.991 13.518 1.00 0.00 C ATOM 754 C ASP 1 47 -2.346 -8.565 12.992 1.00 0.00 C ATOM 755 O ASP 1 47 -2.292 -7.609 13.767 1.00 0.00 O ATOM 756 CB ASP 1 47 -1.866 -9.878 14.987 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.163 -11.100 15.553 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.609 -12.229 15.264 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.165 -10.924 16.286 1.00 0.00 O ATOM 0 H ASP 1 47 -1.585 -11.530 12.218 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.143 -10.514 13.339 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.232 -9.004 15.138 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.784 -9.707 15.549 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.618 -8.412 11.714 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.835 -7.113 11.153 1.00 0.00 C ATOM 766 C PHE 1 48 -4.272 -6.751 11.419 1.00 0.00 C ATOM 767 O PHE 1 48 -5.171 -7.388 10.886 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.592 -7.148 9.655 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.827 -5.984 9.072 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.306 -4.961 9.854 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.614 -5.940 7.713 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.598 -3.926 9.268 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -0.910 -4.919 7.131 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.402 -3.908 7.905 1.00 0.00 C ATOM 0 H PHE 1 48 -2.693 -9.181 11.048 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.156 -6.384 11.595 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.052 -8.065 9.418 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.558 -7.208 9.153 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.454 -4.973 10.924 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -2.011 -6.729 7.091 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.199 -3.131 9.881 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.755 -4.911 6.062 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.150 -3.100 7.447 1.00 0.00 H new ATOM 784 N THR 1 49 -4.491 -5.772 12.259 1.00 0.00 N ATOM 785 CA THR 1 49 -5.846 -5.380 12.599 1.00 0.00 C ATOM 786 C THR 1 49 -6.689 -5.249 11.351 1.00 0.00 C ATOM 787 O THR 1 49 -6.766 -4.189 10.733 1.00 0.00 O ATOM 788 CB THR 1 49 -5.885 -4.068 13.352 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.651 -3.809 13.993 1.00 0.00 O ATOM 790 CG2 THR 1 49 -6.967 -4.032 14.391 1.00 0.00 C ATOM 0 H THR 1 49 -3.759 -5.232 12.720 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.247 -6.163 13.243 1.00 0.00 H new ATOM 0 HB THR 1 49 -6.090 -3.304 12.602 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.696 -2.945 14.453 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -6.950 -3.069 14.901 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.936 -4.172 13.912 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.802 -4.829 15.116 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.341 -6.339 11.017 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.219 -6.401 9.864 1.00 0.00 C ATOM 800 C TRP 1 50 -9.122 -5.169 9.809 1.00 0.00 C ATOM 801 O TRP 1 50 -9.564 -4.741 8.744 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.113 -7.632 10.003 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.472 -8.960 9.706 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.137 -9.247 9.666 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.152 -10.193 9.417 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -6.945 -10.574 9.363 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.165 -11.176 9.208 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.498 -10.556 9.312 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.483 -12.497 8.901 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -10.811 -11.868 9.007 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -9.809 -12.824 8.805 1.00 0.00 C ATOM 0 H TRP 1 50 -7.279 -7.214 11.538 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.612 -6.447 8.960 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.501 -7.660 11.021 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -9.969 -7.510 9.339 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.346 -8.534 9.846 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -6.040 -11.035 9.269 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.279 -9.826 9.466 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.712 -13.236 8.744 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -11.847 -12.160 8.923 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -10.087 -13.840 8.569 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.399 -4.626 10.985 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.262 -3.468 11.126 1.00 0.00 C ATOM 824 C VAL 1 51 -9.805 -2.328 10.267 1.00 0.00 C ATOM 825 O VAL 1 51 -10.553 -1.788 9.452 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.339 -2.979 12.594 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -9.045 -2.316 13.048 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.502 -2.020 12.775 1.00 0.00 C ATOM 0 H VAL 1 51 -9.030 -4.978 11.868 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.251 -3.792 10.803 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.495 -3.860 13.216 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -9.147 -1.990 14.083 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.224 -3.029 12.972 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -8.836 -1.454 12.415 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.541 -1.687 13.812 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.368 -1.158 12.122 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.434 -2.526 12.521 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.583 -1.944 10.501 1.00 0.00 N ATOM 839 CA ASP 1 52 -8.012 -0.823 9.798 1.00 0.00 C ATOM 840 C ASP 1 52 -6.509 -0.893 9.666 1.00 0.00 C ATOM 841 O ASP 1 52 -5.912 -0.120 8.921 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.378 0.436 10.549 1.00 0.00 C ATOM 843 CG ASP 1 52 -7.938 1.700 9.835 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.623 1.622 8.630 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.906 2.767 10.484 1.00 0.00 O ATOM 0 H ASP 1 52 -7.959 -2.389 11.174 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.415 -0.833 8.785 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.458 0.465 10.695 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.923 0.407 11.539 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.892 -1.797 10.389 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.450 -1.906 10.332 1.00 0.00 C ATOM 852 C ASN 1 53 -4.029 -2.810 9.224 1.00 0.00 C ATOM 853 O ASN 1 53 -2.886 -2.778 8.775 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.865 -2.340 11.668 1.00 0.00 C ATOM 855 CG ASN 1 53 -4.214 -1.402 12.829 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -3.777 -1.624 13.958 1.00 0.00 O ATOM 857 ND2 ASN 1 53 -4.987 -0.342 12.570 1.00 0.00 N ATOM 0 H ASN 1 53 -6.354 -2.458 11.014 1.00 0.00 H new ATOM 0 HA ASN 1 53 -4.050 -0.914 10.121 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.223 -3.342 11.903 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.781 -2.402 11.576 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -5.229 0.308 13.318 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -5.335 -0.183 11.624 1.00 0.00 H new ATOM 864 N GLY 1 54 -4.975 -3.543 8.722 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.724 -4.348 7.620 1.00 0.00 C ATOM 866 C GLY 1 54 -4.768 -3.502 6.385 1.00 0.00 C ATOM 867 O GLY 1 54 -5.526 -2.534 6.314 1.00 0.00 O ATOM 0 H GLY 1 54 -5.930 -3.584 9.079 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -3.749 -4.826 7.716 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.465 -5.145 7.558 1.00 0.00 H new ATOM 871 N ILE 1 55 -3.953 -3.837 5.434 1.00 0.00 N ATOM 872 CA ILE 1 55 -3.891 -3.064 4.204 1.00 0.00 C ATOM 873 C ILE 1 55 -4.973 -3.472 3.223 1.00 0.00 C ATOM 874 O ILE 1 55 -4.999 -4.596 2.762 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.530 -3.213 3.473 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.716 -3.276 1.975 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.757 -4.395 3.925 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.567 -1.933 1.345 1.00 0.00 C ATOM 0 H ILE 1 55 -3.318 -4.635 5.472 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.030 -2.029 4.518 1.00 0.00 H new ATOM 0 HB ILE 1 55 -1.956 -2.323 3.731 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -1.986 -3.962 1.546 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.703 -3.678 1.747 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.816 -4.445 3.378 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.552 -4.309 4.992 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.334 -5.300 3.738 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.708 -2.019 0.268 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.314 -1.254 1.755 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.570 -1.543 1.551 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.837 -2.543 2.846 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.835 -2.859 1.858 1.00 0.00 C ATOM 892 C ALA 1 56 -6.147 -3.016 0.526 1.00 0.00 C ATOM 893 O ALA 1 56 -5.968 -2.057 -0.222 1.00 0.00 O ATOM 894 CB ALA 1 56 -7.940 -1.818 1.812 1.00 0.00 C ATOM 0 H ALA 1 56 -5.863 -1.588 3.204 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.328 -3.794 2.124 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.671 -2.097 1.053 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.429 -1.764 2.784 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.514 -0.846 1.566 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.709 -4.237 0.280 1.00 0.00 N ATOM 901 CA ALA 1 57 -4.967 -4.566 -0.916 1.00 0.00 C ATOM 902 C ALA 1 57 -5.421 -3.801 -2.160 1.00 0.00 C ATOM 903 O ALA 1 57 -4.610 -3.463 -3.018 1.00 0.00 O ATOM 904 CB ALA 1 57 -5.011 -6.056 -1.180 1.00 0.00 C ATOM 0 H ALA 1 57 -5.860 -5.027 0.907 1.00 0.00 H new ATOM 0 HA ALA 1 57 -3.942 -4.253 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.446 -6.282 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.572 -6.588 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -6.046 -6.372 -1.310 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.709 -3.527 -2.258 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.241 -2.803 -3.407 1.00 0.00 C ATOM 912 C ASP 1 58 -6.508 -1.486 -3.594 1.00 0.00 C ATOM 913 O ASP 1 58 -6.263 -1.043 -4.716 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.726 -2.557 -3.240 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.388 -2.100 -4.525 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -9.095 -0.972 -4.975 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -10.198 -2.870 -5.082 1.00 0.00 O ATOM 0 H ASP 1 58 -7.406 -3.791 -1.562 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.088 -3.415 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.206 -3.472 -2.894 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -8.881 -1.804 -2.467 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.162 -0.872 -2.478 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.454 0.384 -2.472 1.00 0.00 C ATOM 924 C ASP 1 59 -4.053 0.240 -3.056 1.00 0.00 C ATOM 925 O ASP 1 59 -3.504 1.199 -3.599 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.355 0.877 -1.034 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.638 0.681 -0.251 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.694 0.472 -0.885 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -6.587 0.738 0.995 1.00 0.00 O ATOM 0 H ASP 1 59 -6.368 -1.237 -1.548 1.00 0.00 H new ATOM 0 HA ASP 1 59 -6.001 1.096 -3.090 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.544 0.350 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -5.095 1.936 -1.036 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.459 -0.945 -2.926 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.128 -1.161 -3.424 1.00 0.00 C ATOM 936 C VAL 1 60 -2.115 -1.855 -4.764 1.00 0.00 C ATOM 937 O VAL 1 60 -3.157 -2.091 -5.374 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.308 -1.964 -2.439 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.263 -1.243 -1.125 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.863 -3.356 -2.306 1.00 0.00 C ATOM 0 H VAL 1 60 -3.886 -1.757 -2.481 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.687 -0.173 -3.553 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.285 -2.064 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.672 -1.820 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.808 -0.262 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.276 -1.122 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.262 -3.921 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.893 -3.305 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.837 -3.852 -3.276 1.00 0.00 H new ATOM 950 N ILE 1 61 -0.914 -2.143 -5.230 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.726 -2.761 -6.500 1.00 0.00 C ATOM 952 C ILE 1 61 0.374 -3.798 -6.459 1.00 0.00 C ATOM 953 O ILE 1 61 1.554 -3.476 -6.351 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.410 -1.691 -7.504 1.00 0.00 C ATOM 955 CG1 ILE 1 61 0.099 -0.476 -6.795 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.679 -1.317 -8.177 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.137 0.283 -7.549 1.00 0.00 C ATOM 0 H ILE 1 61 -0.049 -1.949 -4.726 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.640 -3.284 -6.783 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.335 -2.052 -8.213 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.740 0.188 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.513 -0.778 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.484 -0.539 -8.915 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -2.099 -2.192 -8.674 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.388 -0.945 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.451 1.148 -6.965 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 1.996 -0.362 -7.734 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.723 0.619 -8.500 1.00 0.00 H new ATOM 969 N GLU 1 62 -0.036 -5.046 -6.523 1.00 0.00 N ATOM 970 CA GLU 1 62 0.878 -6.160 -6.458 1.00 0.00 C ATOM 971 C GLU 1 62 1.814 -6.235 -7.649 1.00 0.00 C ATOM 972 O GLU 1 62 1.389 -6.267 -8.803 1.00 0.00 O ATOM 973 CB GLU 1 62 0.080 -7.452 -6.293 1.00 0.00 C ATOM 974 CG GLU 1 62 -0.535 -8.005 -7.574 1.00 0.00 C ATOM 975 CD GLU 1 62 -0.227 -9.476 -7.778 1.00 0.00 C ATOM 976 OE1 GLU 1 62 0.834 -9.933 -7.300 1.00 0.00 O ATOM 977 OE2 GLU 1 62 -1.047 -10.172 -8.413 1.00 0.00 O ATOM 0 H GLU 1 62 -1.015 -5.315 -6.622 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.524 -6.013 -5.592 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 0.734 -8.212 -5.866 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 -0.719 -7.277 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 -1.615 -7.864 -7.545 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 -0.162 -7.437 -8.427 1.00 0.00 H new ATOM 984 N VAL 1 63 3.104 -6.270 -7.352 1.00 0.00 N ATOM 985 CA VAL 1 63 4.104 -6.360 -8.383 1.00 0.00 C ATOM 986 C VAL 1 63 4.805 -7.710 -8.324 1.00 0.00 C ATOM 987 O VAL 1 63 4.775 -8.389 -7.297 1.00 0.00 O ATOM 988 CB VAL 1 63 5.157 -5.253 -8.228 1.00 0.00 C ATOM 989 CG1 VAL 1 63 4.596 -3.905 -8.643 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.676 -5.211 -6.799 1.00 0.00 C ATOM 0 H VAL 1 63 3.474 -6.237 -6.402 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.599 -6.244 -9.342 1.00 0.00 H new ATOM 0 HB VAL 1 63 5.993 -5.481 -8.890 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.363 -3.139 -8.523 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.284 -3.946 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 3.738 -3.660 -8.017 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.421 -4.421 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.849 -5.012 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 6.130 -6.170 -6.548 1.00 0.00 H new ATOM 1000 N THR 1 64 5.459 -8.086 -9.418 1.00 0.00 N ATOM 1001 CA THR 1 64 6.183 -9.351 -9.455 1.00 0.00 C ATOM 1002 C THR 1 64 7.559 -9.155 -8.846 1.00 0.00 C ATOM 1003 O THR 1 64 8.004 -8.017 -8.707 1.00 0.00 O ATOM 1004 CB THR 1 64 6.301 -9.892 -10.883 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.381 -9.283 -11.565 1.00 0.00 O ATOM 1006 CG2 THR 1 64 5.050 -9.686 -11.711 1.00 0.00 C ATOM 0 H THR 1 64 5.503 -7.542 -10.279 1.00 0.00 H new ATOM 0 HA THR 1 64 5.625 -10.087 -8.876 1.00 0.00 H new ATOM 0 HB THR 1 64 6.464 -10.964 -10.771 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.439 -9.644 -12.474 1.00 0.00 H new ATOM 0 HG21 THR 1 64 5.204 -10.093 -12.710 1.00 0.00 H new ATOM 0 HG22 THR 1 64 4.212 -10.196 -11.237 1.00 0.00 H new ATOM 0 HG23 THR 1 64 4.832 -8.620 -11.783 1.00 0.00 H new ATOM 1014 N SER 1 65 8.211 -10.261 -8.478 1.00 0.00 N ATOM 1015 CA SER 1 65 9.535 -10.237 -7.843 1.00 0.00 C ATOM 1016 C SER 1 65 10.447 -9.153 -8.408 1.00 0.00 C ATOM 1017 O SER 1 65 11.242 -8.564 -7.675 1.00 0.00 O ATOM 1018 CB SER 1 65 10.209 -11.599 -8.001 1.00 0.00 C ATOM 1019 OG SER 1 65 9.766 -12.254 -9.178 1.00 0.00 O ATOM 0 H SER 1 65 7.837 -11.200 -8.611 1.00 0.00 H new ATOM 0 HA SER 1 65 9.375 -10.008 -6.789 1.00 0.00 H new ATOM 0 HB2 SER 1 65 11.291 -11.471 -8.038 1.00 0.00 H new ATOM 0 HB3 SER 1 65 9.991 -12.219 -7.132 1.00 0.00 H new ATOM 0 HG SER 1 65 10.213 -13.122 -9.257 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.559 -10.945 -4.870 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.536 -12.243 -4.221 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.307 -12.352 -3.326 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.196 -12.010 -3.728 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.527 -13.368 -5.257 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.670 -13.289 -6.257 1.00 0.00 C ATOM 1179 CD GLN 1 76 -4.919 -14.608 -6.964 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -4.383 -14.859 -8.043 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -5.737 -15.459 -6.355 1.00 0.00 N ATOM 0 HA GLN 1 76 -4.436 -12.342 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.581 -13.344 -5.798 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.574 -14.326 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -5.579 -12.981 -5.741 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -4.448 -12.521 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -6.159 -15.209 -5.461 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -5.943 -16.362 -6.781 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.525 -12.824 -2.112 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.447 -12.972 -1.132 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.613 -14.217 -1.344 1.00 0.00 C ATOM 1193 O LYS 1 77 -1.079 -15.221 -1.881 1.00 0.00 O ATOM 1194 CB LYS 1 77 -1.966 -12.971 0.291 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.723 -14.234 0.668 1.00 0.00 C ATOM 1196 CD LYS 1 77 -1.959 -15.062 1.688 1.00 0.00 C ATOM 1197 CE LYS 1 77 -1.770 -16.492 1.218 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -3.057 -17.239 1.176 1.00 0.00 N ATOM 0 H LYS 1 77 -3.442 -13.115 -1.773 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.810 -12.102 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -1.126 -12.844 0.974 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.621 -12.111 0.428 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -3.699 -13.966 1.073 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -2.902 -14.832 -0.226 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -0.986 -14.607 1.871 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -2.496 -15.058 2.636 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -1.319 -16.491 0.226 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -1.075 -17.004 1.884 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -2.884 -18.211 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -3.476 -17.263 2.128 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -3.712 -16.766 0.521 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.638 -14.124 -0.916 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.554 -15.224 -1.052 1.00 0.00 C ATOM 1214 C GLY 1 78 2.716 -14.844 -1.923 1.00 0.00 C ATOM 1215 O GLY 1 78 3.400 -15.711 -2.471 1.00 0.00 O ATOM 0 H GLY 1 78 1.032 -13.294 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 1.914 -15.527 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 1.037 -16.083 -1.481 1.00 0.00 H new ATOM 1219 N GLY 1 79 2.942 -13.539 -2.070 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.032 -13.102 -2.904 1.00 0.00 C ATOM 1221 C GLY 1 79 4.625 -11.773 -2.500 1.00 0.00 C ATOM 1222 O GLY 1 79 5.321 -11.670 -1.491 1.00 0.00 O ATOM 0 H GLY 1 79 2.397 -12.796 -1.633 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 4.816 -13.859 -2.884 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.682 -13.033 -3.934 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.357 -10.763 -3.314 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.860 -9.424 -3.091 1.00 0.00 C ATOM 1228 C TYR 1 80 3.909 -8.413 -3.698 1.00 0.00 C ATOM 1229 O TYR 1 80 3.130 -8.745 -4.591 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.249 -9.257 -3.725 1.00 0.00 C ATOM 1231 CG TYR 1 80 6.826 -10.521 -4.321 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 6.305 -11.066 -5.488 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 7.897 -11.165 -3.715 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 6.838 -12.218 -6.035 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 8.436 -12.315 -4.256 1.00 0.00 C ATOM 1236 CZ TYR 1 80 7.902 -12.838 -5.415 1.00 0.00 C ATOM 1237 OH TYR 1 80 8.437 -13.982 -5.959 1.00 0.00 O ATOM 0 H TYR 1 80 3.781 -10.854 -4.151 1.00 0.00 H new ATOM 0 HA TYR 1 80 4.939 -9.259 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.189 -8.498 -4.505 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.937 -8.882 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 5.471 -10.582 -5.975 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.315 -10.759 -2.806 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 6.423 -12.630 -6.943 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 9.271 -12.802 -3.774 1.00 0.00 H new ATOM 0 HH TYR 1 80 9.181 -14.293 -5.401 1.00 0.00 H new ATOM 1247 N PHE 1 81 4.004 -7.172 -3.259 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.172 -6.132 -3.833 1.00 0.00 C ATOM 1249 C PHE 1 81 3.825 -4.795 -3.698 1.00 0.00 C ATOM 1250 O PHE 1 81 4.832 -4.631 -3.038 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.779 -6.056 -3.216 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.776 -5.962 -1.728 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.325 -6.975 -0.969 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.194 -4.873 -1.088 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.293 -6.910 0.411 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.167 -4.799 0.280 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.713 -5.819 1.038 1.00 0.00 C ATOM 0 H PHE 1 81 4.636 -6.863 -2.521 1.00 0.00 H new ATOM 0 HA PHE 1 81 3.057 -6.400 -4.883 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.259 -5.190 -3.625 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.213 -6.938 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.782 -7.824 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.759 -4.078 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.719 -7.708 1.000 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.720 -3.945 0.766 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.687 -5.765 2.116 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.225 -3.832 -4.312 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.730 -2.500 -4.241 1.00 0.00 C ATOM 1269 C VAL 1 82 2.564 -1.582 -4.005 1.00 0.00 C ATOM 1270 O VAL 1 82 1.601 -1.603 -4.755 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.485 -2.143 -5.541 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.103 -0.765 -6.063 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 5.989 -2.230 -5.324 1.00 0.00 C ATOM 0 H VAL 1 82 2.380 -3.942 -4.872 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.444 -2.398 -3.424 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.192 -2.871 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.658 -0.556 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 3.034 -0.739 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.344 -0.012 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.505 -1.976 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.284 -1.533 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.256 -3.244 -5.027 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.638 -0.793 -2.959 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.555 0.102 -2.642 1.00 0.00 C ATOM 1285 C ILE 1 83 1.538 1.264 -3.594 1.00 0.00 C ATOM 1286 O ILE 1 83 2.446 2.095 -3.587 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.694 0.656 -1.229 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.451 -0.421 -0.158 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.764 1.842 -1.020 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.754 -1.840 -0.593 1.00 0.00 C ATOM 0 H ILE 1 83 3.431 -0.754 -2.319 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.631 -0.471 -2.723 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.724 0.996 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 2.060 -0.187 0.715 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.409 -0.369 0.158 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.880 2.221 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 1.013 2.629 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.268 1.527 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.551 -2.524 0.231 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 1.126 -2.101 -1.445 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.803 -1.917 -0.879 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.499 1.343 -4.394 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.389 2.442 -5.315 1.00 0.00 C ATOM 1304 C ASN 1 84 0.480 3.755 -4.533 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.397 4.060 -3.726 1.00 0.00 O ATOM 1306 CB ASN 1 84 -0.933 2.376 -6.063 1.00 0.00 C ATOM 1307 CG ASN 1 84 -0.764 2.605 -7.555 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -0.004 3.477 -7.975 1.00 0.00 O ATOM 1309 ND2 ASN 1 84 -1.462 1.820 -8.362 1.00 0.00 N ATOM 0 H ASN 1 84 -0.267 0.671 -4.424 1.00 0.00 H new ATOM 0 HA ASN 1 84 1.199 2.387 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.393 1.402 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.615 3.124 -5.658 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 -1.380 1.926 -9.373 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 -2.081 1.109 -7.972 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.534 4.551 -4.764 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.733 5.840 -4.079 1.00 0.00 C ATOM 1318 C PRO 1 85 0.762 6.870 -4.582 1.00 0.00 C ATOM 1319 O PRO 1 85 0.394 7.817 -3.890 1.00 0.00 O ATOM 1320 CB PRO 1 85 3.139 6.226 -4.502 1.00 0.00 C ATOM 1321 CG PRO 1 85 3.217 5.656 -5.865 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.614 4.292 -5.728 1.00 0.00 C ATOM 0 HA PRO 1 85 1.588 5.775 -3.001 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 3.283 7.306 -4.503 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 3.895 5.804 -3.839 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.667 6.264 -6.583 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 4.248 5.602 -6.216 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.236 3.912 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.331 3.561 -5.355 1.00 0.00 H new ATOM 1330 N ASN 1 86 0.362 6.667 -5.807 1.00 0.00 N ATOM 1331 CA ASN 1 86 -0.567 7.558 -6.446 1.00 0.00 C ATOM 1332 C ASN 1 86 -1.965 7.332 -5.900 1.00 0.00 C ATOM 1333 O ASN 1 86 -2.776 8.256 -5.828 1.00 0.00 O ATOM 1334 CB ASN 1 86 -0.521 7.394 -7.959 1.00 0.00 C ATOM 1335 CG ASN 1 86 0.253 8.508 -8.634 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 -0.321 9.344 -9.332 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 1.564 8.527 -8.425 1.00 0.00 N ATOM 0 H ASN 1 86 0.668 5.886 -6.387 1.00 0.00 H new ATOM 0 HA ASN 1 86 -0.280 8.586 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.063 6.436 -8.205 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -1.538 7.372 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 2.138 9.255 -8.851 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 1.997 7.814 -7.839 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.208 6.115 -5.446 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.450 5.769 -4.820 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.365 6.176 -3.378 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.302 6.004 -2.608 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.595 4.297 -4.843 1.00 0.00 C ATOM 1349 CG ASN 1 87 -4.823 3.814 -5.558 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.736 4.577 -5.871 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -4.825 2.527 -5.825 1.00 0.00 N ATOM 0 H ASN 1 87 -1.542 5.345 -5.506 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.281 6.255 -5.332 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -2.716 3.863 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.616 3.929 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -5.614 2.110 -6.318 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -4.037 1.946 -5.539 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.192 6.666 -3.020 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.891 7.066 -1.724 1.00 0.00 C ATOM 1360 C VAL 1 88 -2.067 8.530 -1.543 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.599 9.363 -2.320 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.467 6.725 -1.398 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 -0.045 7.493 -0.173 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.375 5.247 -1.193 1.00 0.00 C ATOM 0 H VAL 1 88 -1.418 6.787 -3.673 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.578 6.540 -1.060 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.205 7.003 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 0.989 7.250 0.070 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 -0.131 8.562 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.688 7.223 0.665 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.653 4.976 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -1.028 4.952 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.684 4.733 -2.104 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.721 8.803 -0.476 1.00 0.00 N ATOM 1375 CA LYS 1 89 -2.980 10.142 -0.073 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.765 10.633 0.650 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.237 11.711 0.382 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.182 10.207 0.856 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.480 9.664 0.274 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.318 8.326 -0.417 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.793 8.462 -1.830 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -5.857 8.297 -2.854 1.00 0.00 N ATOM 0 H LYS 1 89 -3.099 8.095 0.154 1.00 0.00 H new ATOM 0 HA LYS 1 89 -3.199 10.757 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.949 9.652 1.765 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.340 11.245 1.148 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.214 9.565 1.074 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.880 10.386 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.637 7.702 0.162 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.280 7.813 -0.438 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -4.329 9.441 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -4.014 7.718 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -5.783 9.060 -3.557 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.744 7.378 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -6.790 8.338 -2.395 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.328 9.795 1.573 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.142 10.094 2.386 1.00 0.00 C ATOM 1398 C SER 1 90 0.046 9.069 3.499 1.00 0.00 C ATOM 1399 O SER 1 90 -0.846 8.284 3.766 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.250 11.499 2.989 1.00 0.00 C ATOM 1401 OG SER 1 90 -0.559 11.449 4.372 1.00 0.00 O ATOM 0 H SER 1 90 -1.770 8.900 1.785 1.00 0.00 H new ATOM 0 HA SER 1 90 0.727 10.047 1.730 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.690 12.031 2.844 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -1.020 12.063 2.463 1.00 0.00 H new ATOM 0 HG SER 1 90 -0.619 12.360 4.727 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.167 9.145 4.210 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.400 8.286 5.359 1.00 0.00 C ATOM 1409 C VAL 1 91 0.907 9.022 6.612 1.00 0.00 C ATOM 1410 O VAL 1 91 0.617 10.216 6.542 1.00 0.00 O ATOM 1411 CB VAL 1 91 2.875 7.907 5.492 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.117 7.066 6.737 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.335 7.173 4.242 1.00 0.00 C ATOM 0 H VAL 1 91 1.927 9.794 4.008 1.00 0.00 H new ATOM 0 HA VAL 1 91 0.852 7.353 5.231 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.459 8.821 5.597 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.175 6.812 6.804 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.823 7.632 7.621 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.527 6.151 6.678 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.387 6.906 4.343 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 2.742 6.268 4.112 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.207 7.818 3.373 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.756 8.325 7.734 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.243 8.950 8.921 1.00 0.00 C ATOM 1425 C GLY 1 92 0.990 8.557 10.171 1.00 0.00 C ATOM 1426 O GLY 1 92 1.937 7.773 10.142 1.00 0.00 O ATOM 0 H GLY 1 92 0.983 7.336 7.834 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.290 10.033 8.803 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.809 8.687 9.036 1.00 0.00 H new ATOM 1430 N THR 1 93 0.538 9.125 11.263 1.00 0.00 N ATOM 1431 CA THR 1 93 1.092 8.898 12.572 1.00 0.00 C ATOM 1432 C THR 1 93 1.023 7.441 12.947 1.00 0.00 C ATOM 1433 O THR 1 93 0.014 6.760 12.763 1.00 0.00 O ATOM 1434 CB THR 1 93 0.316 9.749 13.564 1.00 0.00 C ATOM 1435 OG1 THR 1 93 -0.243 10.883 12.921 1.00 0.00 O ATOM 1436 CG2 THR 1 93 1.150 10.245 14.707 1.00 0.00 C ATOM 0 H THR 1 93 -0.247 9.776 11.263 1.00 0.00 H new ATOM 0 HA THR 1 93 2.145 9.178 12.581 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.459 9.092 13.960 1.00 0.00 H new ATOM 0 HG1 THR 1 93 -0.740 11.418 13.575 1.00 0.00 H new ATOM 0 HG21 THR 1 93 0.532 10.845 15.375 1.00 0.00 H new ATOM 0 HG22 THR 1 93 1.558 9.396 15.255 1.00 0.00 H new ATOM 0 HG23 THR 1 93 1.967 10.856 14.323 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.145 6.964 13.459 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.334 5.583 13.874 1.00 0.00 C ATOM 1446 C PRO 1 94 1.765 5.279 15.250 1.00 0.00 C ATOM 1447 O PRO 1 94 1.563 6.170 16.074 1.00 0.00 O ATOM 1448 CB PRO 1 94 3.840 5.489 13.871 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.241 6.811 14.394 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.368 7.761 13.666 1.00 0.00 C ATOM 0 HA PRO 1 94 1.820 4.868 13.231 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.198 4.676 14.503 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.234 5.311 12.870 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.092 6.876 15.472 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.296 7.012 14.205 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.173 8.662 14.247 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 3.811 8.080 12.722 1.00 0.00 H new ATOM 1458 N MET 1 95 1.513 4.003 15.479 1.00 0.00 N ATOM 1459 CA MET 1 95 0.965 3.529 16.744 1.00 0.00 C ATOM 1460 C MET 1 95 1.446 2.118 17.057 1.00 0.00 C ATOM 1461 O MET 1 95 1.413 1.239 16.196 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.564 3.556 16.705 1.00 0.00 C ATOM 1463 CG MET 1 95 -1.144 4.954 16.576 1.00 0.00 C ATOM 1464 SD MET 1 95 -2.943 4.969 16.680 1.00 0.00 S ATOM 1465 CE MET 1 95 -3.227 6.580 17.410 1.00 0.00 C ATOM 0 H MET 1 95 1.681 3.264 14.796 1.00 0.00 H new ATOM 0 HA MET 1 95 1.317 4.196 17.531 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.909 2.950 15.867 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.951 3.094 17.613 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.733 5.588 17.362 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -0.835 5.385 15.624 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -4.298 6.738 17.538 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -2.734 6.632 18.381 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -2.822 7.352 16.756 1.00 0.00 H new ATOM 1475 N LYS 1 96 1.863 1.890 18.296 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.322 0.566 18.706 1.00 0.00 C ATOM 1477 C LYS 1 96 1.141 -0.302 19.128 1.00 0.00 C ATOM 1478 O LYS 1 96 0.369 0.080 20.007 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.325 0.683 19.856 1.00 0.00 C ATOM 1480 CG LYS 1 96 2.765 1.399 21.077 1.00 0.00 C ATOM 1481 CD LYS 1 96 3.762 1.420 22.224 1.00 0.00 C ATOM 1482 CE LYS 1 96 3.558 2.635 23.116 1.00 0.00 C ATOM 1483 NZ LYS 1 96 3.642 2.290 24.563 1.00 0.00 N ATOM 0 H LYS 1 96 1.894 2.597 19.030 1.00 0.00 H new ATOM 0 HA LYS 1 96 2.815 0.095 17.856 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 3.650 -0.316 20.147 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 4.208 1.216 19.505 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 2.498 2.421 20.809 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 1.849 0.905 21.400 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 3.657 0.511 22.816 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 4.777 1.426 21.826 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 4.310 3.388 22.879 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 2.585 3.079 22.906 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 3.497 3.148 25.133 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 2.908 1.591 24.796 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 4.579 1.890 24.771 1.00 0.00 H new ATOM 1497 N GLY 1 97 0.995 -1.469 18.500 1.00 0.00 N ATOM 1498 CA GLY 1 97 -0.110 -2.341 18.851 1.00 0.00 C ATOM 1499 C GLY 1 97 -0.053 -3.696 18.176 1.00 0.00 C ATOM 1500 O GLY 1 97 -0.131 -4.725 18.846 1.00 0.00 O ATOM 0 H GLY 1 97 1.612 -1.819 17.767 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 -0.120 -2.483 19.932 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -1.047 -1.851 18.585 1.00 0.00 H new ATOM 1504 N SER 1 98 0.072 -3.703 16.851 1.00 0.00 N ATOM 1505 CA SER 1 98 0.131 -4.954 16.102 1.00 0.00 C ATOM 1506 C SER 1 98 1.391 -5.744 16.467 1.00 0.00 C ATOM 1507 O SER 1 98 2.306 -5.877 15.658 1.00 0.00 O ATOM 1508 CB SER 1 98 0.111 -4.677 14.594 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.209 -4.733 14.080 1.00 0.00 O ATOM 0 H SER 1 98 0.134 -2.862 16.278 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.744 -5.548 16.366 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.540 -3.695 14.396 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.736 -5.407 14.079 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.491 -5.668 14.004 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.436 -6.268 17.688 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.592 -7.036 18.123 1.00 0.00 C ATOM 1517 C GLY 1 99 3.454 -6.296 19.135 1.00 0.00 C ATOM 1518 O GLY 1 99 3.802 -6.851 20.176 1.00 0.00 O ATOM 0 H GLY 1 99 0.696 -6.176 18.383 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.253 -7.975 18.561 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.199 -7.290 17.254 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.801 -5.047 18.831 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.623 -4.267 19.732 1.00 0.00 C ATOM 1524 C GLY 1 100 5.418 -3.181 19.023 1.00 0.00 C ATOM 1525 O GLY 1 100 5.954 -2.277 19.664 1.00 0.00 O ATOM 0 H GLY 1 100 3.526 -4.564 17.976 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 3.987 -3.808 20.489 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.312 -4.932 20.254 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.492 -3.273 17.702 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.206 -2.329 16.893 1.00 0.00 C ATOM 1531 C LEU 1 101 5.427 -1.054 16.703 1.00 0.00 C ATOM 1532 O LEU 1 101 4.597 -0.679 17.522 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.432 -2.928 15.535 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.594 -4.433 15.457 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.268 -5.156 15.364 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.365 -4.708 14.230 1.00 0.00 C ATOM 0 H LEU 1 101 5.048 -4.020 17.167 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.144 -2.100 17.399 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.594 -2.646 14.898 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.325 -2.470 15.109 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.089 -4.786 16.362 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.442 -6.231 15.311 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.667 -4.929 16.245 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.738 -4.830 14.469 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.511 -5.783 14.125 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.820 -4.330 13.365 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.335 -4.215 14.292 1.00 0.00 H new ATOM 1548 N SER 1 102 5.723 -0.412 15.591 1.00 0.00 N ATOM 1549 CA SER 1 102 5.081 0.809 15.193 1.00 0.00 C ATOM 1550 C SER 1 102 4.325 0.596 13.892 1.00 0.00 C ATOM 1551 O SER 1 102 4.910 0.241 12.874 1.00 0.00 O ATOM 1552 CB SER 1 102 6.112 1.896 15.051 1.00 0.00 C ATOM 1553 OG SER 1 102 6.250 2.637 16.252 1.00 0.00 O ATOM 0 H SER 1 102 6.430 -0.736 14.932 1.00 0.00 H new ATOM 0 HA SER 1 102 4.363 1.113 15.955 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.072 1.456 14.781 1.00 0.00 H new ATOM 0 HB3 SER 1 102 5.828 2.565 14.239 1.00 0.00 H new ATOM 0 HG SER 1 102 6.927 3.335 16.130 1.00 0.00 H new ATOM 1559 N TRP 1 103 3.031 0.792 13.955 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.146 0.623 12.835 1.00 0.00 C ATOM 1561 C TRP 1 103 1.476 1.960 12.573 1.00 0.00 C ATOM 1562 O TRP 1 103 0.811 2.519 13.439 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.164 -0.470 13.181 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.900 -1.734 13.524 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.877 -1.837 14.460 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.785 -3.048 12.933 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.406 -3.083 14.459 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.748 -3.859 13.556 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 0.978 -3.627 11.954 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.929 -5.200 13.224 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.161 -4.959 11.634 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.130 -5.728 12.267 1.00 0.00 C ATOM 0 H TRP 1 103 2.555 1.081 14.809 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.665 0.324 11.924 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.545 -0.160 14.023 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.493 -0.647 12.340 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.189 -1.037 15.114 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.180 -3.393 15.046 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.221 -3.043 11.453 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.682 -5.799 13.714 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.538 -5.411 10.877 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.248 -6.765 11.991 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.732 2.497 11.405 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.243 3.822 11.042 1.00 0.00 C ATOM 1585 C ALA 1 104 0.064 3.837 10.110 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.123 2.952 9.279 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.365 4.671 10.472 1.00 0.00 C ATOM 0 H ALA 1 104 2.281 2.039 10.678 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.880 4.247 11.978 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 1.978 5.655 10.208 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.154 4.779 11.216 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.770 4.189 9.582 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.725 4.888 10.289 1.00 0.00 N ATOM 1594 CA GLN 1 105 -1.909 5.119 9.524 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.610 5.785 8.193 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.403 6.986 8.150 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.836 6.029 10.309 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.268 5.812 9.945 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.245 6.471 10.898 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.847 7.169 11.831 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.535 6.251 10.669 1.00 0.00 N ATOM 0 H GLN 1 105 -0.543 5.609 10.987 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.368 4.150 9.329 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.702 5.851 11.376 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.568 7.069 10.123 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.440 6.195 8.939 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.468 4.741 9.916 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.821 5.666 9.884 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.239 6.667 11.278 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.624 5.034 7.102 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.380 5.614 5.817 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.714 5.805 5.106 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.570 4.924 5.119 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.403 4.738 5.017 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.287 5.215 3.597 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 0.968 4.745 5.672 1.00 0.00 C ATOM 0 H VAL 1 106 -1.802 4.030 7.094 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.908 6.591 5.919 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.795 3.721 5.010 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.411 4.577 3.055 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.265 5.173 3.118 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 0.078 6.242 3.587 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.650 4.121 5.095 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.350 5.765 5.705 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.889 4.354 6.686 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.896 6.976 4.530 1.00 0.00 N ATOM 1627 CA ASN 1 107 -4.127 7.326 3.859 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.101 6.891 2.409 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.477 7.537 1.574 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.339 8.839 3.931 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.363 9.233 4.979 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -5.121 10.122 5.797 1.00 0.00 O ATOM 1633 ND2 ASN 1 107 -6.515 8.573 4.959 1.00 0.00 N ATOM 0 H ASN 1 107 -2.191 7.713 4.515 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.946 6.810 4.360 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.390 9.325 4.155 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -4.663 9.204 2.956 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -7.242 8.795 5.639 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -6.673 7.844 4.264 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.784 5.795 2.121 1.00 0.00 N ATOM 1641 CA PHE 1 108 -4.865 5.276 0.807 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.180 5.639 0.131 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.137 6.120 0.742 1.00 0.00 O ATOM 1644 CB PHE 1 108 -4.796 3.759 0.791 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.484 3.114 1.146 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -2.894 3.328 2.375 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -2.873 2.237 0.262 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.713 2.690 2.713 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -1.703 1.592 0.600 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.119 1.820 1.825 1.00 0.00 C ATOM 0 H PHE 1 108 -5.296 5.251 2.815 1.00 0.00 H new ATOM 0 HA PHE 1 108 -4.018 5.714 0.279 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.552 3.382 1.480 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -5.077 3.421 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.359 4.001 3.081 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.320 2.057 -0.704 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.256 2.874 3.674 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.244 0.907 -0.097 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.199 1.319 2.089 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.167 5.373 -1.152 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.271 5.615 -2.082 1.00 0.00 C ATOM 1662 C THR 1 109 -8.642 5.046 -1.689 1.00 0.00 C ATOM 1663 O THR 1 109 -9.604 5.789 -1.495 1.00 0.00 O ATOM 1664 CB THR 1 109 -6.860 4.996 -3.397 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -7.911 5.031 -4.346 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -6.441 3.574 -3.195 1.00 0.00 C ATOM 0 H THR 1 109 -5.353 4.962 -1.609 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.423 6.694 -2.106 1.00 0.00 H new ATOM 0 HB THR 1 109 -6.025 5.583 -3.779 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.538 4.966 -5.250 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -6.148 3.142 -4.152 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -5.597 3.538 -2.506 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -7.273 3.005 -2.780 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.726 3.727 -1.648 1.00 0.00 N ATOM 1675 CA THR 1 110 -9.970 3.020 -1.362 1.00 0.00 C ATOM 1676 C THR 1 110 -10.215 2.837 0.125 1.00 0.00 C ATOM 1677 O THR 1 110 -11.262 3.219 0.649 1.00 0.00 O ATOM 1678 CB THR 1 110 -9.950 1.660 -2.059 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -8.851 1.562 -2.953 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.211 1.367 -2.844 1.00 0.00 C ATOM 0 H THR 1 110 -7.931 3.110 -1.813 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.788 3.631 -1.743 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.866 0.930 -1.254 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -8.115 1.086 -2.515 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.128 0.386 -3.312 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -12.069 1.377 -2.172 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.345 2.127 -3.614 1.00 0.00 H new ATOM 1688 N GLY 1 111 -9.253 2.225 0.792 1.00 0.00 N ATOM 1689 CA GLY 1 111 -9.377 1.967 2.197 1.00 0.00 C ATOM 1690 C GLY 1 111 -9.254 3.212 3.041 1.00 0.00 C ATOM 1691 O GLY 1 111 -9.451 3.155 4.254 1.00 0.00 O ATOM 0 H GLY 1 111 -8.381 1.901 0.374 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -10.342 1.498 2.390 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -8.610 1.254 2.498 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.900 4.341 2.423 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.738 5.546 3.184 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.649 5.348 4.202 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.488 5.542 3.915 1.00 0.00 O ATOM 0 H GLY 1 112 -8.727 4.430 1.422 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.488 6.376 2.523 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.673 5.805 3.681 1.00 0.00 H new ATOM 1702 N ASN 1 113 -8.006 4.898 5.378 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.012 4.611 6.380 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.483 3.198 6.162 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.256 2.255 5.993 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.597 4.765 7.779 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.030 4.290 7.869 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.899 4.979 8.403 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.277 3.102 7.340 1.00 0.00 N ATOM 0 H ASN 1 113 -8.970 4.724 5.664 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.189 5.320 6.290 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -6.987 4.203 8.487 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.547 5.813 8.076 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.222 2.720 7.364 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.522 2.569 6.908 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.176 3.058 6.171 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.536 1.772 5.990 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.298 1.746 6.840 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.372 2.518 6.610 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.138 1.525 4.534 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -3.765 0.072 4.316 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.249 1.948 3.585 1.00 0.00 C ATOM 0 H VAL 1 114 -4.526 3.832 6.304 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.242 0.993 6.277 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.262 2.136 4.317 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.486 -0.079 3.273 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -2.924 -0.188 4.959 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -4.617 -0.563 4.559 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -4.940 1.762 2.557 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.151 1.375 3.802 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.454 3.011 3.715 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.282 0.901 7.836 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.140 0.856 8.723 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.106 -0.144 8.292 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.401 -1.143 7.636 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.568 0.590 10.142 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.361 1.685 10.681 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.629 2.000 10.341 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -2.933 2.641 11.627 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -5.033 3.069 11.057 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -4.006 3.491 11.845 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.745 2.848 12.318 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -3.945 4.542 12.718 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.676 3.908 13.201 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.778 4.749 13.394 1.00 0.00 C ATOM 0 H TRP 1 115 -4.030 0.243 8.055 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.673 1.840 8.672 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -3.148 -0.332 10.180 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.687 0.438 10.765 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.227 1.477 9.609 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -5.960 3.493 11.015 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.897 2.196 12.168 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.796 5.190 12.868 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.763 4.090 13.748 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.704 5.573 14.088 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.118 0.150 8.669 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.229 -0.691 8.338 1.00 0.00 C ATOM 1758 C LEU 1 116 2.306 -0.515 9.358 1.00 0.00 C ATOM 1759 O LEU 1 116 2.517 0.593 9.835 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.776 -0.301 6.979 1.00 0.00 C ATOM 1761 CG LEU 1 116 2.144 -1.475 6.079 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.931 -1.917 5.276 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.289 -1.099 5.159 1.00 0.00 C ATOM 0 H LEU 1 116 0.363 0.978 9.212 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.899 -1.730 8.319 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 1.035 0.313 6.467 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.660 0.320 7.123 1.00 0.00 H new ATOM 0 HG LEU 1 116 2.469 -2.308 6.702 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 1.204 -2.756 4.636 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 0.136 -2.223 5.956 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 0.582 -1.089 4.659 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.539 -1.948 4.523 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 2.993 -0.255 4.536 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.159 -0.823 5.755 1.00 0.00 H new ATOM 1775 N ASN 1 117 3.026 -1.568 9.668 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.089 -1.406 10.623 1.00 0.00 C ATOM 1777 C ASN 1 117 5.102 -0.505 10.021 1.00 0.00 C ATOM 1778 O ASN 1 117 5.902 -0.834 9.148 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.638 -2.687 11.129 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.127 -2.683 11.420 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 6.954 -2.854 10.525 1.00 0.00 O ATOM 1782 ND2 ASN 1 117 6.462 -2.502 12.691 1.00 0.00 N ATOM 0 H ASN 1 117 2.902 -2.507 9.290 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.698 -0.946 11.531 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.107 -2.956 12.042 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.429 -3.467 10.397 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 7.445 -2.500 12.964 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 5.737 -2.364 13.395 1.00 0.00 H new ATOM 1789 N THR 1 118 4.916 0.671 10.491 1.00 0.00 N ATOM 1790 CA THR 1 118 5.623 1.854 10.082 1.00 0.00 C ATOM 1791 C THR 1 118 7.020 1.937 10.636 1.00 0.00 C ATOM 1792 O THR 1 118 7.643 2.999 10.598 1.00 0.00 O ATOM 1793 CB THR 1 118 4.798 3.042 10.517 1.00 0.00 C ATOM 1794 OG1 THR 1 118 5.078 4.186 9.725 1.00 0.00 O ATOM 1795 CG2 THR 1 118 5.002 3.410 11.968 1.00 0.00 C ATOM 0 H THR 1 118 4.226 0.859 11.218 1.00 0.00 H new ATOM 0 HA THR 1 118 5.749 1.832 9.000 1.00 0.00 H new ATOM 0 HB THR 1 118 3.762 2.732 10.382 1.00 0.00 H new ATOM 0 HG1 THR 1 118 6.048 4.281 9.619 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.381 4.271 12.216 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.723 2.567 12.600 1.00 0.00 H new ATOM 0 HG23 THR 1 118 6.050 3.658 12.137 1.00 0.00 H new ATOM 1803 N THR 1 119 7.519 0.834 11.148 1.00 0.00 N ATOM 1804 CA THR 1 119 8.874 0.833 11.686 1.00 0.00 C ATOM 1805 C THR 1 119 9.913 1.120 10.575 1.00 0.00 C ATOM 1806 O THR 1 119 11.082 0.754 10.705 1.00 0.00 O ATOM 1807 CB THR 1 119 9.182 -0.509 12.356 1.00 0.00 C ATOM 1808 OG1 THR 1 119 10.363 -0.419 13.132 1.00 0.00 O ATOM 1809 CG2 THR 1 119 9.366 -1.647 11.373 1.00 0.00 C ATOM 0 H THR 1 119 7.026 -0.057 11.206 1.00 0.00 H new ATOM 0 HA THR 1 119 8.940 1.626 12.431 1.00 0.00 H new ATOM 0 HB THR 1 119 8.313 -0.727 12.976 1.00 0.00 H new ATOM 0 HG1 THR 1 119 11.063 0.029 12.612 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.581 -2.567 11.917 1.00 0.00 H new ATOM 0 HG22 THR 1 119 8.454 -1.775 10.790 1.00 0.00 H new ATOM 0 HG23 THR 1 119 10.195 -1.419 10.703 1.00 0.00 H new ATOM 1817 N SER 1 120 9.481 1.798 9.494 1.00 0.00 N ATOM 1818 CA SER 1 120 10.330 2.161 8.388 1.00 0.00 C ATOM 1819 C SER 1 120 9.496 2.983 7.417 1.00 0.00 C ATOM 1820 O SER 1 120 8.483 2.522 6.921 1.00 0.00 O ATOM 1821 CB SER 1 120 10.898 0.926 7.687 1.00 0.00 C ATOM 1822 OG SER 1 120 10.542 -0.266 8.368 1.00 0.00 O ATOM 0 H SER 1 120 8.515 2.104 9.382 1.00 0.00 H new ATOM 0 HA SER 1 120 11.180 2.737 8.753 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.529 0.885 6.662 1.00 0.00 H new ATOM 0 HB3 SER 1 120 11.984 1.005 7.632 1.00 0.00 H new ATOM 0 HG SER 1 120 11.248 -0.935 8.248 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.902 4.203 7.160 1.00 0.00 N ATOM 1829 CA LYS 1 121 9.160 5.065 6.257 1.00 0.00 C ATOM 1830 C LYS 1 121 9.283 4.521 4.847 1.00 0.00 C ATOM 1831 O LYS 1 121 8.313 4.462 4.082 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.678 6.484 6.372 1.00 0.00 C ATOM 1833 CG LYS 1 121 8.853 7.504 5.597 1.00 0.00 C ATOM 1834 CD LYS 1 121 9.716 8.637 5.064 1.00 0.00 C ATOM 1835 CE LYS 1 121 9.885 9.744 6.092 1.00 0.00 C ATOM 1836 NZ LYS 1 121 8.942 10.875 5.858 1.00 0.00 N ATOM 0 H LYS 1 121 10.740 4.625 7.560 1.00 0.00 H new ATOM 0 HA LYS 1 121 8.102 5.083 6.520 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 9.697 6.770 7.424 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 10.707 6.515 6.014 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 8.349 7.009 4.767 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 8.076 7.912 6.244 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 10.695 8.248 4.783 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 9.264 9.045 4.160 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 9.723 9.338 7.091 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 10.910 10.114 6.060 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 9.092 11.607 6.581 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 9.113 11.280 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 7.963 10.528 5.914 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.468 4.027 4.534 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.685 3.385 3.278 1.00 0.00 C ATOM 1852 C ASP 1 122 9.868 2.099 3.263 1.00 0.00 C ATOM 1853 O ASP 1 122 9.836 1.386 2.281 1.00 0.00 O ATOM 1854 CB ASP 1 122 12.160 3.122 3.048 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.888 4.346 2.531 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.491 4.870 1.469 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 13.854 4.785 3.191 1.00 0.00 O ATOM 0 H ASP 1 122 11.286 4.065 5.142 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.361 4.030 2.461 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.619 2.796 3.982 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 12.274 2.306 2.335 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.232 1.779 4.391 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.440 0.578 4.480 1.00 0.00 C ATOM 1864 C ASN 1 123 7.276 0.643 3.513 1.00 0.00 C ATOM 1865 O ASN 1 123 7.132 -0.186 2.629 1.00 0.00 O ATOM 1866 CB ASN 1 123 7.910 0.411 5.914 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.709 -0.478 5.916 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 5.826 -0.357 6.762 1.00 0.00 O ATOM 1869 ND2 ASN 1 123 6.680 -1.380 4.951 1.00 0.00 N ATOM 0 H ASN 1 123 9.257 2.338 5.244 1.00 0.00 H new ATOM 0 HA ASN 1 123 9.067 -0.276 4.222 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.687 -0.013 6.550 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.652 1.385 6.331 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 5.893 -2.025 4.880 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 7.444 -1.431 4.277 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.464 1.628 3.664 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.340 1.787 2.770 1.00 0.00 C ATOM 1878 C LEU 1 124 5.835 2.040 1.377 1.00 0.00 C ATOM 1879 O LEU 1 124 5.513 1.320 0.434 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.441 2.931 3.204 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.565 3.334 4.655 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.357 2.125 5.571 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.926 3.972 4.890 1.00 0.00 C ATOM 0 H LEU 1 124 6.544 2.340 4.390 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.756 0.867 2.797 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.660 3.799 2.583 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.406 2.652 3.009 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.790 4.063 4.893 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.450 2.436 6.611 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.363 1.709 5.404 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 5.109 1.368 5.350 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 6.016 4.263 5.937 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.711 3.257 4.644 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 6.028 4.854 4.258 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.620 3.087 1.263 1.00 0.00 N ATOM 1896 CA LEU 1 125 7.172 3.477 0.001 1.00 0.00 C ATOM 1897 C LEU 1 125 8.039 2.398 -0.611 1.00 0.00 C ATOM 1898 O LEU 1 125 7.948 2.128 -1.804 1.00 0.00 O ATOM 1899 CB LEU 1 125 8.018 4.722 0.175 1.00 0.00 C ATOM 1900 CG LEU 1 125 7.262 5.993 0.540 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.926 5.962 2.016 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 8.091 7.224 0.199 1.00 0.00 C ATOM 0 H LEU 1 125 6.889 3.686 2.044 1.00 0.00 H new ATOM 0 HA LEU 1 125 6.331 3.662 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.760 4.528 0.949 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.563 4.900 -0.752 1.00 0.00 H new ATOM 0 HG LEU 1 125 6.339 6.045 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 6.385 6.869 2.285 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 6.305 5.092 2.230 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.846 5.903 2.597 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.535 8.123 0.467 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 9.028 7.198 0.756 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 8.304 7.234 -0.870 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.918 1.813 0.196 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.839 0.815 -0.318 1.00 0.00 C ATOM 1916 C TYR 1 126 9.509 -0.578 0.169 1.00 0.00 C ATOM 1917 O TYR 1 126 9.783 -1.562 -0.519 1.00 0.00 O ATOM 1918 CB TYR 1 126 11.264 1.181 0.092 1.00 0.00 C ATOM 1919 CG TYR 1 126 12.094 1.724 -1.036 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.734 2.905 -1.661 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 13.231 1.062 -1.476 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 12.486 3.418 -2.698 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.990 1.566 -2.513 1.00 0.00 C ATOM 1924 CZ TYR 1 126 13.613 2.745 -3.122 1.00 0.00 C ATOM 1925 OH TYR 1 126 14.366 3.253 -4.157 1.00 0.00 O ATOM 0 H TYR 1 126 9.009 2.011 1.192 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.746 0.808 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 11.224 1.921 0.892 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.754 0.297 0.500 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.851 3.433 -1.332 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.527 0.139 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 12.194 4.342 -3.175 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.873 1.041 -2.845 1.00 0.00 H new ATOM 0 HH TYR 1 126 15.126 2.659 -4.331 1.00 0.00 H new ATOM 1935 N GLY 1 127 8.955 -0.669 1.366 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.650 -1.983 1.907 1.00 0.00 C ATOM 1937 C GLY 1 127 9.720 -2.445 2.859 1.00 0.00 C ATOM 1938 O GLY 1 127 9.929 -3.644 3.048 1.00 0.00 O ATOM 0 H GLY 1 127 8.714 0.121 1.965 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.690 -1.952 2.423 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.551 -2.700 1.092 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.407 -1.481 3.455 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.459 -1.767 4.391 1.00 0.00 C ATOM 1944 C LYS 1 128 10.889 -2.215 5.732 1.00 0.00 C ATOM 1945 O LYS 1 128 9.648 -2.281 5.853 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.288 -0.516 4.590 1.00 0.00 C ATOM 1947 CG LYS 1 128 12.889 0.024 3.313 1.00 0.00 C ATOM 1948 CD LYS 1 128 14.067 0.936 3.615 1.00 0.00 C ATOM 1949 CE LYS 1 128 14.725 1.444 2.340 1.00 0.00 C ATOM 1950 NZ LYS 1 128 15.523 2.679 2.579 1.00 0.00 N ATOM 1951 OXT LYS 1 128 11.687 -2.499 6.650 1.00 0.00 O ATOM 0 H LYS 1 128 10.244 -0.487 3.297 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.075 -2.574 3.994 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.664 0.255 5.042 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 13.090 -0.731 5.296 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.215 -0.802 2.681 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.132 0.573 2.753 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.728 1.783 4.212 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.801 0.397 4.214 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 15.372 0.668 1.931 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 13.958 1.647 1.592 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 15.784 3.105 1.667 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 14.957 3.357 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 16.385 2.438 3.108 1.00 0.00 H new