USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=24 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= -5.58! C(o=-7!,f=-12!) USER MOD Set 1.2: 1 110 THR OG1 : rot 104:sc= -1.4! USER MOD Set 2.1: 1 89 LYS NZ :NH3+ -175:sc= -0.779 (180deg=-0.965) USER MOD Set 2.2: 1 109 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: 1 49 THR OG1 : rot -137:sc= -4.56! USER MOD Set 3.2: 1 53 ASN :FLIP amide:sc= -4.45! C(o=-10!,f=-8.8!) USER MOD Set 3.3: 1 98 SER OG : rot -77:sc= 0.256 USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 24 TYR OH : rot 147:sc= -7.04! USER MOD Single : 1 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 30 GLN :FLIP amide:sc= -5.6! C(o=-11!,f=-5.6!) USER MOD Single : 1 31 LYS NZ :NH3+ 144:sc= 0.0122 (180deg=-0.276) USER MOD Single : 1 33 ASN : amide:sc= -5.99! C(o=-6!,f=-9.3!) USER MOD Single : 1 37 GLN : amide:sc= -13.2! C(o=-13!,f=-22!) USER MOD Single : 1 40 ASN : amide:sc= -6.44! C(o=-6.4!,f=-9.8!) USER MOD Single : 1 41 ASN :FLIP amide:sc= -4.38! C(o=-15!,f=-4.4!) USER MOD Single : 1 46 THR OG1 : rot -79:sc= 0.832 USER MOD Single : 1 64 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 65 SER OG : rot 50:sc= 0.0653 USER MOD Single : 1 76 GLN : amide:sc=-0.00902 X(o=-0.009,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= -4.91! C(o=-4.9!,f=-8.1!) USER MOD Single : 1 86 ASN : amide:sc=-0.000289 X(o=-0.00029,f=0) USER MOD Single : 1 90 SER OG : rot 180:sc= -0.0392 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 95 MET CE :methyl 168:sc= 0 (180deg=-0.149) USER MOD Single : 1 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 SER OG : rot 180:sc= 0 USER MOD Single : 1 105 GLN : amide:sc= -4! C(o=-4!,f=-4!) USER MOD Single : 1 107 ASN : amide:sc= -0.235 X(o=-0.23,f=-0.59) USER MOD Single : 1 113 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.7) USER MOD Single : 1 117 ASN : amide:sc= -15.9! C(o=-16!,f=-22!) USER MOD Single : 1 118 THR OG1 : rot -52:sc= 0.21 USER MOD Single : 1 119 THR OG1 : rot -45:sc= 0.417 USER MOD Single : 1 120 SER OG : rot 51:sc= 0.644 USER MOD Single : 1 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 123 ASN :FLIP amide:sc= -20.4! C(o=-22!,f=-20!) USER MOD Single : 1 126 TYR OH : rot 180:sc= 0 USER MOD Single : 1 128 LYS NZ :NH3+ 161:sc= 0.0897 (180deg=0.0347) USER MOD ----------------------------------------------------------------- ATOM 320 N LYS 1 22 9.747 -0.201 -3.981 1.00 0.00 N ATOM 321 CA LYS 1 22 10.236 -1.560 -3.801 1.00 0.00 C ATOM 322 C LYS 1 22 9.096 -2.512 -3.439 1.00 0.00 C ATOM 323 O LYS 1 22 7.965 -2.089 -3.194 1.00 0.00 O ATOM 324 CB LYS 1 22 11.332 -1.603 -2.743 1.00 0.00 C ATOM 325 CG LYS 1 22 12.712 -1.895 -3.309 1.00 0.00 C ATOM 326 CD LYS 1 22 13.083 -3.363 -3.151 1.00 0.00 C ATOM 327 CE LYS 1 22 14.154 -3.781 -4.147 1.00 0.00 C ATOM 328 NZ LYS 1 22 14.479 -5.231 -4.042 1.00 0.00 N ATOM 0 HA LYS 1 22 10.661 -1.892 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.358 -0.647 -2.219 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.083 -2.365 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 12.738 -1.624 -4.364 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 13.452 -1.275 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 13.439 -3.541 -2.137 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 12.195 -3.980 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 13.815 -3.558 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 15.056 -3.194 -3.976 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 15.213 -5.474 -4.738 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 14.827 -5.440 -3.085 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 13.624 -5.793 -4.230 1.00 0.00 H new ATOM 342 N ILE 1 23 9.397 -3.803 -3.468 1.00 0.00 N ATOM 343 CA ILE 1 23 8.426 -4.850 -3.212 1.00 0.00 C ATOM 344 C ILE 1 23 7.986 -4.995 -1.751 1.00 0.00 C ATOM 345 O ILE 1 23 8.732 -4.716 -0.814 1.00 0.00 O ATOM 346 CB ILE 1 23 9.002 -6.193 -3.702 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.178 -6.687 -4.870 1.00 0.00 C ATOM 348 CG2 ILE 1 23 9.065 -7.236 -2.591 1.00 0.00 C ATOM 349 CD1 ILE 1 23 9.016 -7.147 -6.034 1.00 0.00 C ATOM 0 H ILE 1 23 10.333 -4.153 -3.672 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.528 -4.560 -3.757 1.00 0.00 H new ATOM 0 HB ILE 1 23 10.031 -6.030 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.546 -7.510 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.514 -5.889 -5.202 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.478 -8.164 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.701 -6.871 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 8.062 -7.420 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.365 -7.489 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.629 -6.319 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.661 -7.966 -5.717 1.00 0.00 H new ATOM 361 N TYR 1 24 6.761 -5.511 -1.609 1.00 0.00 N ATOM 362 CA TYR 1 24 6.131 -5.811 -0.338 1.00 0.00 C ATOM 363 C TYR 1 24 6.088 -7.325 -0.230 1.00 0.00 C ATOM 364 O TYR 1 24 6.338 -8.009 -1.217 1.00 0.00 O ATOM 365 CB TYR 1 24 4.693 -5.322 -0.339 1.00 0.00 C ATOM 366 CG TYR 1 24 4.411 -3.994 0.317 1.00 0.00 C ATOM 367 CD1 TYR 1 24 4.799 -2.797 -0.266 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.713 -3.940 1.512 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.499 -1.591 0.328 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.415 -2.743 2.113 1.00 0.00 C ATOM 371 CZ TYR 1 24 3.808 -1.573 1.518 1.00 0.00 C ATOM 372 OH TYR 1 24 3.491 -0.381 2.106 1.00 0.00 O ATOM 0 H TYR 1 24 6.168 -5.736 -2.408 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.678 -5.337 0.477 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.358 -5.264 -1.375 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.080 -6.077 0.153 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.344 -2.811 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.396 -4.860 1.981 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 4.804 -0.665 -0.137 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 2.875 -2.723 3.048 1.00 0.00 H new ATOM 0 HH TYR 1 24 2.634 -0.465 2.574 1.00 0.00 H new ATOM 382 N LYS 1 25 5.739 -7.862 0.917 1.00 0.00 N ATOM 383 CA LYS 1 25 5.636 -9.309 1.040 1.00 0.00 C ATOM 384 C LYS 1 25 4.208 -9.725 1.366 1.00 0.00 C ATOM 385 O LYS 1 25 3.723 -9.505 2.466 1.00 0.00 O ATOM 386 CB LYS 1 25 6.582 -9.833 2.097 1.00 0.00 C ATOM 387 CG LYS 1 25 8.004 -10.046 1.594 1.00 0.00 C ATOM 388 CD LYS 1 25 8.546 -11.410 2.000 1.00 0.00 C ATOM 389 CE LYS 1 25 10.066 -11.410 2.076 1.00 0.00 C ATOM 390 NZ LYS 1 25 10.661 -12.550 1.324 1.00 0.00 N ATOM 0 H LYS 1 25 5.525 -7.337 1.765 1.00 0.00 H new ATOM 0 HA LYS 1 25 5.916 -9.743 0.080 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.603 -9.134 2.933 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.197 -10.777 2.481 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.023 -9.955 0.508 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 8.651 -9.264 1.991 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 8.133 -11.693 2.968 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 8.217 -12.161 1.282 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 10.449 -10.472 1.675 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 10.377 -11.462 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 11.698 -12.513 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 10.316 -13.447 1.722 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 10.386 -12.487 0.323 1.00 0.00 H new ATOM 404 N VAL 1 26 3.526 -10.339 0.423 1.00 0.00 N ATOM 405 CA VAL 1 26 2.174 -10.766 0.673 1.00 0.00 C ATOM 406 C VAL 1 26 2.183 -12.051 1.456 1.00 0.00 C ATOM 407 O VAL 1 26 2.076 -13.151 0.910 1.00 0.00 O ATOM 408 CB VAL 1 26 1.332 -10.912 -0.590 1.00 0.00 C ATOM 409 CG1 VAL 1 26 0.031 -10.225 -0.344 1.00 0.00 C ATOM 410 CG2 VAL 1 26 2.023 -10.311 -1.786 1.00 0.00 C ATOM 0 H VAL 1 26 3.882 -10.550 -0.509 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.699 -9.976 1.255 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.179 -11.968 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.598 -10.310 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.471 -10.690 0.504 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.211 -9.172 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.395 -10.433 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.199 -9.250 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 2.976 -10.815 -1.947 1.00 0.00 H new ATOM 420 N ASP 1 27 2.354 -11.863 2.745 1.00 0.00 N ATOM 421 CA ASP 1 27 2.429 -12.957 3.711 1.00 0.00 C ATOM 422 C ASP 1 27 1.055 -13.463 4.103 1.00 0.00 C ATOM 423 O ASP 1 27 0.898 -14.625 4.476 1.00 0.00 O ATOM 424 CB ASP 1 27 3.240 -12.527 4.946 1.00 0.00 C ATOM 425 CG ASP 1 27 4.729 -12.623 4.689 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.295 -13.721 4.869 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.330 -11.597 4.308 1.00 0.00 O ATOM 0 H ASP 1 27 2.447 -10.939 3.166 1.00 0.00 H new ATOM 0 HA ASP 1 27 2.945 -13.789 3.232 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 2.981 -11.503 5.215 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 2.974 -13.157 5.795 1.00 0.00 H new ATOM 432 N ASP 1 28 0.056 -12.596 4.023 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.295 -12.994 4.384 1.00 0.00 C ATOM 434 C ASP 1 28 -2.314 -11.892 4.126 1.00 0.00 C ATOM 435 O ASP 1 28 -2.254 -10.820 4.728 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.333 -13.392 5.858 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.430 -14.391 6.164 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -3.609 -14.078 5.896 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -2.110 -15.487 6.671 1.00 0.00 O ATOM 0 H ASP 1 28 0.153 -11.628 3.716 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.566 -13.842 3.754 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.370 -13.818 6.140 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.478 -12.500 6.468 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.277 -12.175 3.254 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.329 -11.229 2.957 1.00 0.00 C ATOM 446 C LEU 1 29 -5.680 -11.916 3.016 1.00 0.00 C ATOM 447 O LEU 1 29 -5.839 -13.046 2.570 1.00 0.00 O ATOM 448 CB LEU 1 29 -4.109 -10.545 1.631 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.328 -10.505 0.736 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.424 -9.180 0.032 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -5.272 -11.659 -0.220 1.00 0.00 C ATOM 0 H LEU 1 29 -3.344 -13.056 2.744 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.309 -10.447 3.716 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.775 -9.524 1.814 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.303 -11.054 1.103 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.234 -10.604 1.334 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.307 -9.171 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.501 -8.381 0.769 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.533 -9.026 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -6.148 -11.637 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -4.369 -11.586 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -5.258 -12.594 0.339 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.631 -11.223 3.610 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.981 -11.741 3.815 1.00 0.00 C ATOM 465 C GLN 1 30 -9.063 -10.808 3.339 1.00 0.00 C ATOM 466 O GLN 1 30 -8.862 -9.601 3.242 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.209 -11.970 5.317 1.00 0.00 C ATOM 468 CG GLN 1 30 -8.241 -13.425 5.713 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.916 -14.081 5.461 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -6.567 -14.166 4.195 1.00 0.00 O flip ATOM 471 NE2 GLN 1 30 -6.222 -14.505 6.385 1.00 0.00 N flip ATOM 0 H GLN 1 30 -6.494 -10.278 3.969 1.00 0.00 H new ATOM 0 HA GLN 1 30 -8.045 -12.661 3.234 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.419 -11.468 5.876 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.150 -11.503 5.607 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -8.499 -13.513 6.768 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -9.019 -13.941 5.151 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -6.543 -14.412 7.349 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -5.326 -14.950 6.187 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.254 -11.365 3.131 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.370 -10.527 2.788 1.00 0.00 C ATOM 482 C LYS 1 31 -11.666 -9.799 4.088 1.00 0.00 C ATOM 483 O LYS 1 31 -12.131 -10.400 5.056 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.565 -11.355 2.305 1.00 0.00 C ATOM 485 CG LYS 1 31 -13.491 -10.643 1.322 1.00 0.00 C ATOM 486 CD LYS 1 31 -12.861 -9.413 0.683 1.00 0.00 C ATOM 487 CE LYS 1 31 -13.683 -8.926 -0.500 1.00 0.00 C ATOM 488 NZ LYS 1 31 -13.088 -7.716 -1.131 1.00 0.00 N ATOM 0 H LYS 1 31 -10.456 -12.363 3.194 1.00 0.00 H new ATOM 0 HA LYS 1 31 -11.160 -9.845 1.964 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.191 -12.264 1.834 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.149 -11.662 3.173 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -13.783 -11.342 0.538 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -14.402 -10.347 1.841 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.778 -8.617 1.424 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -11.849 -9.649 0.354 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -13.759 -9.722 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -14.697 -8.701 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -13.231 -7.755 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -13.547 -6.864 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -12.069 -7.682 -0.924 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.241 -8.551 4.151 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.300 -7.796 5.391 1.00 0.00 C ATOM 504 C ILE 1 32 -12.140 -6.527 5.285 1.00 0.00 C ATOM 505 O ILE 1 32 -11.877 -5.651 4.465 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.825 -7.512 5.785 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -9.038 -8.824 5.670 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.660 -6.904 7.165 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.425 -9.283 6.950 1.00 0.00 C ATOM 0 H ILE 1 32 -10.852 -8.038 3.360 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.809 -8.369 6.166 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.437 -6.759 5.099 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.704 -9.603 5.299 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.250 -8.698 4.927 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.602 -6.736 7.364 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -10.193 -5.954 7.210 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -10.067 -7.584 7.913 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -7.887 -10.216 6.782 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.731 -8.525 7.314 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -9.208 -9.444 7.691 1.00 0.00 H new ATOM 521 N ASN 1 33 -13.177 -6.465 6.125 1.00 0.00 N ATOM 522 CA ASN 1 33 -14.110 -5.337 6.153 1.00 0.00 C ATOM 523 C ASN 1 33 -14.606 -5.008 4.750 1.00 0.00 C ATOM 524 O ASN 1 33 -14.629 -3.849 4.339 1.00 0.00 O ATOM 525 CB ASN 1 33 -13.483 -4.101 6.809 1.00 0.00 C ATOM 526 CG ASN 1 33 -12.139 -3.731 6.220 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -11.101 -4.216 6.663 1.00 0.00 O ATOM 528 ND2 ASN 1 33 -12.149 -2.863 5.218 1.00 0.00 N ATOM 0 H ASN 1 33 -13.393 -7.195 6.804 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.965 -5.635 6.760 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -14.164 -3.256 6.703 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -13.366 -4.284 7.877 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -11.272 -2.574 4.785 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -13.034 -2.484 4.880 1.00 0.00 H new ATOM 535 N GLY 1 34 -15.016 -6.048 4.026 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.520 -5.876 2.684 1.00 0.00 C ATOM 537 C GLY 1 34 -14.435 -5.550 1.672 1.00 0.00 C ATOM 538 O GLY 1 34 -14.724 -5.321 0.498 1.00 0.00 O ATOM 0 H GLY 1 34 -15.005 -7.014 4.354 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -16.032 -6.787 2.376 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -16.262 -5.077 2.681 1.00 0.00 H new ATOM 542 N ILE 1 35 -13.185 -5.531 2.123 1.00 0.00 N ATOM 543 CA ILE 1 35 -12.063 -5.229 1.247 1.00 0.00 C ATOM 544 C ILE 1 35 -10.893 -6.159 1.536 1.00 0.00 C ATOM 545 O ILE 1 35 -10.547 -6.390 2.693 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.587 -3.769 1.414 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.741 -2.869 1.862 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -10.983 -3.255 0.115 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -13.839 -2.728 0.830 1.00 0.00 C ATOM 0 H ILE 1 35 -12.925 -5.722 3.091 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.410 -5.373 0.224 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.818 -3.747 2.187 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -13.168 -3.271 2.781 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -12.348 -1.880 2.099 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -10.653 -2.225 0.250 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -10.131 -3.876 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -11.732 -3.295 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -14.622 -2.076 1.218 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -13.427 -2.297 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -14.260 -3.709 0.610 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.266 -6.677 0.490 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.128 -7.568 0.671 1.00 0.00 C ATOM 563 C TRP 1 36 -8.026 -6.835 1.430 1.00 0.00 C ATOM 564 O TRP 1 36 -7.689 -5.707 1.084 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.604 -8.044 -0.687 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.568 -8.927 -1.416 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.214 -8.646 -2.585 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -10.008 -10.230 -1.017 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -11.030 -9.693 -2.936 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -10.923 -10.677 -1.989 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.718 -11.062 0.069 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.550 -11.918 -1.906 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -10.343 -12.293 0.149 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -11.250 -12.710 -0.833 1.00 0.00 C ATOM 0 H TRP 1 36 -10.521 -6.499 -0.481 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.444 -8.440 1.244 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.377 -7.176 -1.306 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.668 -8.583 -0.539 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.100 -7.733 -3.151 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.620 -9.732 -3.767 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -9.019 -10.749 0.831 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -12.249 -12.243 -2.663 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -10.128 -12.944 0.983 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -11.722 -13.677 -0.741 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.473 -7.460 2.468 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.425 -6.817 3.251 1.00 0.00 C ATOM 587 C GLN 1 37 -5.135 -7.584 3.149 1.00 0.00 C ATOM 588 O GLN 1 37 -5.146 -8.795 3.031 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.835 -6.695 4.714 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.695 -6.353 5.659 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.694 -7.145 6.968 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.678 -6.575 8.062 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.690 -8.459 6.881 1.00 0.00 N ATOM 0 H GLN 1 37 -7.729 -8.396 2.781 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.275 -5.817 2.844 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.605 -5.928 4.800 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.285 -7.635 5.032 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.750 -6.526 5.144 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -5.741 -5.289 5.893 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.704 -8.910 5.966 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.673 -9.026 7.729 1.00 0.00 H new ATOM 602 N VAL 1 38 -4.028 -6.859 3.182 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.722 -7.475 3.051 1.00 0.00 C ATOM 604 C VAL 1 38 -1.859 -7.397 4.300 1.00 0.00 C ATOM 605 O VAL 1 38 -1.970 -6.453 5.100 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.956 -6.814 1.895 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.681 -7.590 1.606 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.837 -6.749 0.660 1.00 0.00 C ATOM 0 H VAL 1 38 -4.010 -5.846 3.298 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.915 -8.532 2.865 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.684 -5.797 2.179 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.144 -7.115 0.785 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 -0.051 -7.599 2.495 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.933 -8.614 1.330 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.287 -6.279 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.128 -7.758 0.367 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.730 -6.163 0.880 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.986 -8.413 4.434 1.00 0.00 N ATOM 619 CA ARG 1 39 -0.049 -8.509 5.543 1.00 0.00 C ATOM 620 C ARG 1 39 1.286 -9.119 5.097 1.00 0.00 C ATOM 621 O ARG 1 39 1.300 -10.090 4.339 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.645 -9.357 6.665 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.916 -8.775 7.232 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.944 -9.847 7.557 1.00 0.00 C ATOM 625 NE ARG 1 39 -2.390 -10.915 8.388 1.00 0.00 N ATOM 626 CZ ARG 1 39 -2.908 -11.299 9.555 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -3.972 -10.685 10.060 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -2.353 -12.300 10.224 1.00 0.00 N ATOM 0 H ARG 1 39 -0.919 -9.185 3.771 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.138 -7.498 5.906 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.848 -10.359 6.287 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.089 -9.460 7.464 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.684 -8.211 8.135 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.342 -8.071 6.517 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -3.790 -9.391 8.072 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.327 -10.273 6.630 1.00 0.00 H new ATOM 0 HE ARG 1 39 -1.555 -11.396 8.054 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -4.402 -9.911 9.554 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.359 -10.988 10.954 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -1.533 -12.773 9.846 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -2.746 -12.597 11.117 1.00 0.00 H new ATOM 642 N ASN 1 40 2.400 -8.616 5.634 1.00 0.00 N ATOM 643 CA ASN 1 40 3.697 -9.192 5.355 1.00 0.00 C ATOM 644 C ASN 1 40 4.411 -9.391 6.649 1.00 0.00 C ATOM 645 O ASN 1 40 4.216 -8.667 7.604 1.00 0.00 O ATOM 646 CB ASN 1 40 4.631 -8.383 4.459 1.00 0.00 C ATOM 647 CG ASN 1 40 3.996 -7.234 3.723 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.819 -7.270 3.364 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.792 -6.201 3.492 1.00 0.00 N ATOM 0 H ASN 1 40 2.420 -7.812 6.262 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.473 -10.108 4.809 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.444 -7.993 5.071 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.077 -9.057 3.728 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.436 -5.384 2.995 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.761 -6.222 3.811 1.00 0.00 H new ATOM 656 N ASN 1 41 5.237 -10.374 6.654 1.00 0.00 N ATOM 657 CA ASN 1 41 6.019 -10.714 7.814 1.00 0.00 C ATOM 658 C ASN 1 41 6.933 -9.558 8.263 1.00 0.00 C ATOM 659 O ASN 1 41 7.425 -9.564 9.392 1.00 0.00 O ATOM 660 CB ASN 1 41 6.876 -11.947 7.509 1.00 0.00 C ATOM 661 CG ASN 1 41 7.585 -11.853 6.158 1.00 0.00 C ATOM 662 OD1 ASN 1 41 7.408 -10.729 5.457 1.00 0.00 O flip ATOM 663 ND2 ASN 1 41 8.289 -12.778 5.753 1.00 0.00 N flip ATOM 0 H ASN 1 41 5.400 -10.979 5.849 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.324 -10.921 8.628 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.619 -12.072 8.297 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.245 -12.836 7.522 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 8.399 -13.620 6.318 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 8.762 -12.702 4.853 1.00 0.00 H new ATOM 670 N ILE 1 42 7.175 -8.573 7.384 1.00 0.00 N ATOM 671 CA ILE 1 42 8.025 -7.460 7.705 1.00 0.00 C ATOM 672 C ILE 1 42 7.261 -6.408 8.470 1.00 0.00 C ATOM 673 O ILE 1 42 7.684 -5.949 9.531 1.00 0.00 O ATOM 674 CB ILE 1 42 8.551 -6.813 6.434 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.131 -7.862 5.522 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.572 -5.776 6.769 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.153 -8.269 4.465 1.00 0.00 C ATOM 0 H ILE 1 42 6.782 -8.543 6.443 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.848 -7.841 8.310 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.726 -6.325 5.915 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 10.037 -7.478 5.053 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.421 -8.735 6.107 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 9.942 -5.319 5.851 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.119 -5.010 7.399 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.401 -6.241 7.302 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.604 -9.027 3.825 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.258 -8.677 4.935 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.884 -7.400 3.864 1.00 0.00 H new ATOM 689 N LEU 1 43 6.116 -6.045 7.917 1.00 0.00 N ATOM 690 CA LEU 1 43 5.260 -5.069 8.534 1.00 0.00 C ATOM 691 C LEU 1 43 4.123 -5.755 9.255 1.00 0.00 C ATOM 692 O LEU 1 43 3.387 -5.123 10.007 1.00 0.00 O ATOM 693 CB LEU 1 43 4.676 -4.111 7.505 1.00 0.00 C ATOM 694 CG LEU 1 43 5.680 -3.425 6.588 1.00 0.00 C ATOM 695 CD1 LEU 1 43 7.009 -3.193 7.291 1.00 0.00 C ATOM 696 CD2 LEU 1 43 5.875 -4.221 5.313 1.00 0.00 C ATOM 0 H LEU 1 43 5.764 -6.419 7.036 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.868 -4.503 9.240 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 3.966 -4.661 6.887 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.111 -3.342 8.032 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.273 -2.449 6.324 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.701 -2.702 6.607 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 6.853 -2.561 8.165 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.426 -4.150 7.605 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.596 -3.712 4.673 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.246 -5.216 5.558 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 4.923 -4.308 4.789 1.00 0.00 H new ATOM 708 N VAL 1 44 3.952 -7.052 9.009 1.00 0.00 N ATOM 709 CA VAL 1 44 2.866 -7.768 9.640 1.00 0.00 C ATOM 710 C VAL 1 44 3.199 -9.215 9.877 1.00 0.00 C ATOM 711 O VAL 1 44 2.653 -10.113 9.234 1.00 0.00 O ATOM 712 CB VAL 1 44 1.569 -7.681 8.853 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.391 -7.953 9.771 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.439 -6.330 8.177 1.00 0.00 C ATOM 0 H VAL 1 44 4.540 -7.611 8.391 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.722 -7.274 10.601 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.579 -8.439 8.070 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.536 -7.889 9.202 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.486 -8.951 10.199 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.376 -7.214 10.572 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.503 -6.291 7.620 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.445 -5.543 8.932 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.275 -6.183 7.493 1.00 0.00 H new ATOM 724 N PRO 1 45 4.081 -9.460 10.835 1.00 0.00 N ATOM 725 CA PRO 1 45 4.468 -10.802 11.212 1.00 0.00 C ATOM 726 C PRO 1 45 3.227 -11.638 11.428 1.00 0.00 C ATOM 727 O PRO 1 45 3.194 -12.838 11.157 1.00 0.00 O ATOM 728 CB PRO 1 45 5.199 -10.554 12.524 1.00 0.00 C ATOM 729 CG PRO 1 45 5.796 -9.220 12.358 1.00 0.00 C ATOM 730 CD PRO 1 45 4.732 -8.443 11.665 1.00 0.00 C ATOM 0 HA PRO 1 45 5.070 -11.334 10.475 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.515 -10.581 13.372 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 5.961 -11.312 12.705 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.056 -8.775 13.318 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.711 -9.261 11.767 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 4.036 -7.990 12.371 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.147 -7.634 11.064 1.00 0.00 H new ATOM 738 N THR 1 46 2.197 -10.944 11.898 1.00 0.00 N ATOM 739 CA THR 1 46 0.896 -11.534 12.164 1.00 0.00 C ATOM 740 C THR 1 46 0.002 -10.559 12.932 1.00 0.00 C ATOM 741 O THR 1 46 0.492 -9.694 13.658 1.00 0.00 O ATOM 742 CB THR 1 46 1.059 -12.832 12.970 1.00 0.00 C ATOM 743 OG1 THR 1 46 -0.162 -13.548 13.023 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.525 -12.608 14.395 1.00 0.00 C ATOM 0 H THR 1 46 2.245 -9.947 12.106 1.00 0.00 H new ATOM 0 HA THR 1 46 0.423 -11.759 11.208 1.00 0.00 H new ATOM 0 HB THR 1 46 1.827 -13.398 12.443 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.745 -13.150 13.702 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.618 -13.568 14.903 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.493 -12.107 14.387 1.00 0.00 H new ATOM 0 HG23 THR 1 46 0.800 -11.988 14.922 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.312 -10.739 12.808 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.288 -9.907 13.532 1.00 0.00 C ATOM 754 C ASP 1 47 -2.413 -8.474 13.015 1.00 0.00 C ATOM 755 O ASP 1 47 -2.313 -7.524 13.793 1.00 0.00 O ATOM 756 CB ASP 1 47 -1.903 -9.818 14.991 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.204 -11.062 15.515 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.579 -12.176 15.095 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.281 -10.919 16.345 1.00 0.00 O ATOM 0 H ASP 1 47 -1.732 -11.453 12.213 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.247 -10.402 13.377 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.249 -8.957 15.133 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.800 -9.639 15.584 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.715 -8.306 11.742 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.913 -7.000 11.186 1.00 0.00 C ATOM 766 C PHE 1 48 -4.333 -6.593 11.463 1.00 0.00 C ATOM 767 O PHE 1 48 -5.261 -7.209 10.950 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.686 -7.029 9.684 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.913 -5.868 9.104 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.384 -4.850 9.891 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.708 -5.815 7.741 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.667 -3.822 9.310 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -0.997 -4.789 7.166 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.474 -3.796 7.949 1.00 0.00 C ATOM 0 H PHE 1 48 -2.827 -9.071 11.076 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.211 -6.295 11.631 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.159 -7.950 9.435 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.657 -7.074 9.191 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.534 -4.863 10.960 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -2.114 -6.595 7.114 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.257 -3.036 9.927 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.851 -4.766 6.096 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.090 -2.993 7.498 1.00 0.00 H new ATOM 784 N THR 1 49 -4.509 -5.592 12.287 1.00 0.00 N ATOM 785 CA THR 1 49 -5.844 -5.143 12.630 1.00 0.00 C ATOM 786 C THR 1 49 -6.681 -4.996 11.377 1.00 0.00 C ATOM 787 O THR 1 49 -6.717 -3.943 10.745 1.00 0.00 O ATOM 788 CB THR 1 49 -5.818 -3.815 13.359 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.554 -3.584 13.952 1.00 0.00 O ATOM 790 CG2 THR 1 49 -6.857 -3.719 14.433 1.00 0.00 C ATOM 0 H THR 1 49 -3.753 -5.072 12.733 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.280 -5.894 13.289 1.00 0.00 H new ATOM 0 HB THR 1 49 -6.029 -3.062 12.599 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.677 -3.222 14.854 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -6.789 -2.746 14.919 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.847 -3.836 13.993 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.692 -4.505 15.170 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.366 -6.066 11.047 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.234 -6.112 9.886 1.00 0.00 C ATOM 800 C TRP 1 50 -9.112 -4.865 9.813 1.00 0.00 C ATOM 801 O TRP 1 50 -9.540 -4.441 8.742 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.151 -7.319 10.016 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.519 -8.658 9.775 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.193 -8.932 9.588 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.199 -9.919 9.705 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -7.012 -10.280 9.389 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.228 -10.908 9.461 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.537 -10.304 9.820 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.553 -12.256 9.329 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -10.859 -11.642 9.691 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -9.871 -12.604 9.448 1.00 0.00 C ATOM 0 H TRP 1 50 -7.339 -6.936 11.578 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.615 -6.171 8.991 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.580 -7.318 11.018 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -9.977 -7.199 9.316 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.402 -8.196 9.596 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -6.118 -10.739 9.216 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.306 -9.569 10.006 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.793 -12.999 9.140 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -11.890 -11.951 9.779 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -10.155 -13.642 9.353 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.389 -4.310 10.984 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.236 -3.135 11.113 1.00 0.00 C ATOM 824 C VAL 1 51 -9.751 -2.003 10.259 1.00 0.00 C ATOM 825 O VAL 1 51 -10.483 -1.444 9.443 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.321 -2.640 12.577 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -9.006 -2.039 13.052 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.443 -1.628 12.735 1.00 0.00 C ATOM 0 H VAL 1 51 -9.032 -4.663 11.872 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.226 -3.446 10.779 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.533 -3.510 13.199 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -9.111 -1.705 14.084 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.219 -2.791 12.992 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -8.745 -1.190 12.420 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.487 -1.292 13.771 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.257 -0.774 12.084 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.392 -2.091 12.464 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.522 -1.648 10.500 1.00 0.00 N ATOM 839 CA ASP 1 52 -7.919 -0.538 9.801 1.00 0.00 C ATOM 840 C ASP 1 52 -6.426 -0.686 9.608 1.00 0.00 C ATOM 841 O ASP 1 52 -5.822 0.041 8.824 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.193 0.726 10.588 1.00 0.00 C ATOM 843 CG ASP 1 52 -7.682 1.977 9.899 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.430 1.920 8.677 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.532 3.011 10.582 1.00 0.00 O ATOM 0 H ASP 1 52 -7.912 -2.109 11.176 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.360 -0.502 8.805 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.267 0.820 10.750 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.728 0.643 11.570 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.829 -1.609 10.322 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.395 -1.803 10.215 1.00 0.00 C ATOM 852 C ASN 1 53 -4.076 -2.743 9.102 1.00 0.00 C ATOM 853 O ASN 1 53 -2.943 -2.818 8.633 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.795 -2.299 11.524 1.00 0.00 C ATOM 855 CG ASN 1 53 -3.991 -1.346 12.706 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -4.889 -0.363 12.581 1.00 0.00 O flip ATOM 857 ND2 ASN 1 53 -3.327 -1.491 13.733 1.00 0.00 N flip ATOM 0 H ASN 1 53 -6.302 -2.232 10.976 1.00 0.00 H new ATOM 0 HA ASN 1 53 -3.947 -0.834 9.995 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.239 -3.263 11.772 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.728 -2.467 11.381 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -2.649 -2.250 13.799 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -3.455 -0.852 14.517 1.00 0.00 H new ATOM 864 N GLY 1 54 -5.092 -3.397 8.629 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.941 -4.242 7.539 1.00 0.00 C ATOM 866 C GLY 1 54 -4.938 -3.425 6.290 1.00 0.00 C ATOM 867 O GLY 1 54 -5.688 -2.456 6.171 1.00 0.00 O ATOM 0 H GLY 1 54 -6.039 -3.344 9.004 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -4.011 -4.804 7.624 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.752 -4.970 7.511 1.00 0.00 H new ATOM 871 N ILE 1 55 -4.095 -3.789 5.369 1.00 0.00 N ATOM 872 CA ILE 1 55 -4.007 -3.039 4.134 1.00 0.00 C ATOM 873 C ILE 1 55 -5.072 -3.471 3.152 1.00 0.00 C ATOM 874 O ILE 1 55 -5.084 -4.603 2.711 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.637 -3.200 3.438 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.804 -3.263 1.942 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.890 -4.391 3.909 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.690 -1.917 1.327 1.00 0.00 C ATOM 0 H ILE 1 55 -3.464 -4.587 5.439 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.146 -1.996 4.418 1.00 0.00 H new ATOM 0 HB ILE 1 55 -2.051 -2.321 3.705 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -2.048 -3.924 1.518 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.776 -3.694 1.701 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.936 -4.453 3.385 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.711 -4.308 4.981 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.473 -5.289 3.707 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.815 -1.999 0.247 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.463 -1.265 1.734 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.708 -1.498 1.548 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.945 -2.560 2.762 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.941 -2.905 1.783 1.00 0.00 C ATOM 892 C ALA 1 56 -6.256 -3.106 0.456 1.00 0.00 C ATOM 893 O ALA 1 56 -6.086 -2.175 -0.325 1.00 0.00 O ATOM 894 CB ALA 1 56 -8.046 -1.866 1.707 1.00 0.00 C ATOM 0 H ALA 1 56 -5.980 -1.599 3.103 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.433 -3.832 2.076 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.776 -2.166 0.956 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.536 -1.784 2.677 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.620 -0.901 1.434 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.809 -4.332 0.249 1.00 0.00 N ATOM 901 CA ALA 1 57 -5.072 -4.694 -0.937 1.00 0.00 C ATOM 902 C ALA 1 57 -5.535 -3.966 -2.199 1.00 0.00 C ATOM 903 O ALA 1 57 -4.725 -3.634 -3.062 1.00 0.00 O ATOM 904 CB ALA 1 57 -5.108 -6.192 -1.159 1.00 0.00 C ATOM 0 H ALA 1 57 -5.950 -5.102 0.903 1.00 0.00 H new ATOM 0 HA ALA 1 57 -4.046 -4.374 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.545 -6.440 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.663 -6.698 -0.302 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -6.142 -6.518 -1.276 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.828 -3.713 -2.306 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.366 -3.022 -3.472 1.00 0.00 C ATOM 912 C ASP 1 58 -6.644 -1.701 -3.679 1.00 0.00 C ATOM 913 O ASP 1 58 -6.411 -1.267 -4.807 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.854 -2.783 -3.316 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.508 -2.338 -4.609 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -8.855 -1.607 -5.383 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -10.673 -2.719 -4.848 1.00 0.00 O ATOM 0 H ASP 1 58 -7.523 -3.972 -1.606 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.208 -3.653 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.331 -3.699 -2.967 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -9.019 -2.026 -2.550 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.297 -1.070 -2.568 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.599 0.191 -2.575 1.00 0.00 C ATOM 924 C ASP 1 59 -4.187 0.051 -3.131 1.00 0.00 C ATOM 925 O ASP 1 59 -3.628 1.014 -3.657 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.525 0.733 -1.149 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.745 0.395 -0.314 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.836 0.228 -0.896 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -6.602 0.289 0.920 1.00 0.00 O ATOM 0 H ASP 1 59 -6.497 -1.427 -1.634 1.00 0.00 H new ATOM 0 HA ASP 1 59 -6.149 0.877 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.637 0.332 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -5.407 1.816 -1.185 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.589 -1.134 -2.996 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.248 -1.337 -3.472 1.00 0.00 C ATOM 936 C VAL 1 60 -2.204 -2.016 -4.821 1.00 0.00 C ATOM 937 O VAL 1 60 -3.224 -2.178 -5.491 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.429 -2.120 -2.475 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.415 -1.388 -1.162 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.960 -3.521 -2.346 1.00 0.00 C ATOM 0 H VAL 1 60 -4.019 -1.951 -2.563 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.814 -0.344 -3.591 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.399 -2.206 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.824 -1.950 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.975 -0.400 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.435 -1.282 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.359 -4.073 -1.623 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.995 -3.488 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.911 -4.019 -3.314 1.00 0.00 H new ATOM 950 N ILE 1 61 -0.998 -2.355 -5.238 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.778 -2.946 -6.519 1.00 0.00 C ATOM 952 C ILE 1 61 0.343 -3.965 -6.492 1.00 0.00 C ATOM 953 O ILE 1 61 1.504 -3.622 -6.302 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.448 -1.838 -7.482 1.00 0.00 C ATOM 955 CG1 ILE 1 61 0.015 -0.640 -6.709 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.696 -1.455 -8.197 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.122 0.124 -7.353 1.00 0.00 C ATOM 0 H ILE 1 61 -0.150 -2.223 -4.687 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.677 -3.480 -6.826 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.324 -2.168 -8.178 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.832 0.029 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.342 -0.965 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.480 -0.652 -8.901 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -2.085 -2.318 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.439 -1.115 -7.476 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.392 0.973 -6.724 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 1.988 -0.526 -7.477 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.796 0.484 -8.329 1.00 0.00 H new ATOM 969 N GLU 1 62 -0.020 -5.214 -6.682 1.00 0.00 N ATOM 970 CA GLU 1 62 0.946 -6.306 -6.661 1.00 0.00 C ATOM 971 C GLU 1 62 1.968 -6.202 -7.781 1.00 0.00 C ATOM 972 O GLU 1 62 1.624 -6.074 -8.957 1.00 0.00 O ATOM 973 CB GLU 1 62 0.228 -7.652 -6.739 1.00 0.00 C ATOM 974 CG GLU 1 62 0.303 -8.454 -5.451 1.00 0.00 C ATOM 975 CD GLU 1 62 0.153 -9.946 -5.677 1.00 0.00 C ATOM 976 OE1 GLU 1 62 -0.969 -10.390 -5.998 1.00 0.00 O ATOM 977 OE2 GLU 1 62 1.159 -10.672 -5.529 1.00 0.00 O ATOM 0 H GLU 1 62 -0.982 -5.507 -6.854 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.487 -6.231 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 -0.819 -7.482 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 0.660 -8.239 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 1.258 -8.260 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 -0.478 -8.114 -4.771 1.00 0.00 H new ATOM 984 N VAL 1 63 3.232 -6.280 -7.393 1.00 0.00 N ATOM 985 CA VAL 1 63 4.328 -6.226 -8.337 1.00 0.00 C ATOM 986 C VAL 1 63 4.984 -7.602 -8.451 1.00 0.00 C ATOM 987 O VAL 1 63 4.822 -8.443 -7.566 1.00 0.00 O ATOM 988 CB VAL 1 63 5.401 -5.215 -7.890 1.00 0.00 C ATOM 989 CG1 VAL 1 63 5.038 -3.805 -8.311 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.604 -5.281 -6.387 1.00 0.00 C ATOM 0 H VAL 1 63 3.521 -6.382 -6.420 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.920 -5.914 -9.298 1.00 0.00 H new ATOM 0 HB VAL 1 63 6.336 -5.484 -8.382 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.815 -3.115 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.951 -3.761 -9.397 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 4.087 -3.524 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.366 -4.560 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.667 -5.047 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 5.926 -6.284 -6.107 1.00 0.00 H new ATOM 1000 N THR 1 64 5.746 -7.828 -9.519 1.00 0.00 N ATOM 1001 CA THR 1 64 6.432 -9.108 -9.688 1.00 0.00 C ATOM 1002 C THR 1 64 7.756 -9.061 -8.944 1.00 0.00 C ATOM 1003 O THR 1 64 8.257 -7.977 -8.667 1.00 0.00 O ATOM 1004 CB THR 1 64 6.654 -9.453 -11.167 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.865 -8.899 -11.653 1.00 0.00 O ATOM 1006 CG2 THR 1 64 5.535 -8.990 -12.076 1.00 0.00 C ATOM 0 H THR 1 64 5.903 -7.155 -10.269 1.00 0.00 H new ATOM 0 HA THR 1 64 5.801 -9.895 -9.274 1.00 0.00 H new ATOM 0 HB THR 1 64 6.689 -10.542 -11.191 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.978 -9.138 -12.597 1.00 0.00 H new ATOM 0 HG21 THR 1 64 5.763 -9.269 -13.105 1.00 0.00 H new ATOM 0 HG22 THR 1 64 4.600 -9.460 -11.771 1.00 0.00 H new ATOM 0 HG23 THR 1 64 5.435 -7.907 -12.008 1.00 0.00 H new ATOM 1014 N SER 1 65 8.306 -10.236 -8.624 1.00 0.00 N ATOM 1015 CA SER 1 65 9.563 -10.352 -7.873 1.00 0.00 C ATOM 1016 C SER 1 65 10.587 -9.283 -8.249 1.00 0.00 C ATOM 1017 O SER 1 65 11.356 -8.835 -7.400 1.00 0.00 O ATOM 1018 CB SER 1 65 10.170 -11.741 -8.084 1.00 0.00 C ATOM 1019 OG SER 1 65 10.392 -12.394 -6.846 1.00 0.00 O ATOM 0 H SER 1 65 7.894 -11.134 -8.877 1.00 0.00 H new ATOM 0 HA SER 1 65 9.315 -10.201 -6.822 1.00 0.00 H new ATOM 0 HB2 SER 1 65 9.503 -12.343 -8.702 1.00 0.00 H new ATOM 0 HB3 SER 1 65 11.112 -11.651 -8.625 1.00 0.00 H new ATOM 0 HG SER 1 65 9.578 -12.349 -6.302 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.346 -10.992 -4.811 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.422 -12.280 -4.139 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.230 -12.444 -3.204 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.090 -12.177 -3.585 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.445 -13.423 -5.155 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.518 -13.275 -6.222 1.00 0.00 C ATOM 1179 CD GLN 1 76 -4.892 -14.598 -6.859 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -4.599 -14.841 -8.031 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -5.545 -15.460 -6.089 1.00 0.00 N ATOM 0 HA GLN 1 76 -4.346 -12.314 -3.561 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.471 -13.486 -5.639 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.599 -14.364 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -5.406 -12.825 -5.779 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -4.166 -12.591 -6.994 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -5.766 -15.216 -5.124 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -5.825 -16.367 -6.463 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.497 -12.878 -1.986 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.439 -13.068 -0.993 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.604 -14.303 -1.247 1.00 0.00 C ATOM 1193 O LYS 1 77 -1.069 -15.287 -1.823 1.00 0.00 O ATOM 1194 CB LYS 1 77 -1.975 -13.106 0.431 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.445 -14.480 0.902 1.00 0.00 C ATOM 1196 CD LYS 1 77 -3.945 -14.647 0.743 1.00 0.00 C ATOM 1197 CE LYS 1 77 -4.388 -16.074 1.022 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -5.043 -16.694 -0.163 1.00 0.00 N ATOM 0 H LYS 1 77 -3.434 -13.107 -1.654 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.797 -12.194 -1.102 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -1.196 -12.753 1.107 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.807 -12.406 0.510 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -1.931 -15.255 0.333 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -2.173 -14.618 1.948 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -4.460 -13.967 1.422 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -4.236 -14.368 -0.270 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -3.524 -16.672 1.314 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -5.080 -16.081 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -5.330 -17.666 0.068 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -5.882 -16.138 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -4.375 -16.711 -0.960 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.642 -14.233 -0.804 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.551 -15.332 -0.969 1.00 0.00 C ATOM 1214 C GLY 1 78 2.729 -14.943 -1.815 1.00 0.00 C ATOM 1215 O GLY 1 78 3.427 -15.807 -2.349 1.00 0.00 O ATOM 0 H GLY 1 78 1.037 -13.422 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 1.898 -15.670 0.008 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 1.030 -16.171 -1.430 1.00 0.00 H new ATOM 1219 N GLY 1 79 2.956 -13.637 -1.957 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.070 -13.208 -2.770 1.00 0.00 C ATOM 1221 C GLY 1 79 4.641 -11.864 -2.382 1.00 0.00 C ATOM 1222 O GLY 1 79 5.304 -11.729 -1.355 1.00 0.00 O ATOM 0 H GLY 1 79 2.403 -12.892 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 4.860 -13.957 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.750 -13.167 -3.811 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.383 -10.878 -3.224 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.859 -9.526 -3.016 1.00 0.00 C ATOM 1228 C TYR 1 80 3.904 -8.548 -3.667 1.00 0.00 C ATOM 1229 O TYR 1 80 3.156 -8.916 -4.570 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.258 -9.342 -3.610 1.00 0.00 C ATOM 1231 CG TYR 1 80 7.156 -10.552 -3.478 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 7.115 -11.579 -4.413 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 8.050 -10.663 -2.419 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 7.937 -12.684 -4.295 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 8.875 -11.764 -2.295 1.00 0.00 C ATOM 1236 CZ TYR 1 80 8.815 -12.772 -3.235 1.00 0.00 C ATOM 1237 OH TYR 1 80 9.636 -13.870 -3.114 1.00 0.00 O ATOM 0 H TYR 1 80 3.834 -10.996 -4.075 1.00 0.00 H new ATOM 0 HA TYR 1 80 4.910 -9.339 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.161 -9.090 -4.666 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.738 -8.493 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 6.430 -11.513 -5.245 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.100 -9.876 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 7.892 -13.475 -5.029 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 9.564 -11.835 -1.466 1.00 0.00 H new ATOM 0 HH TYR 1 80 10.194 -13.775 -2.314 1.00 0.00 H new ATOM 1247 N PHE 1 81 3.960 -7.301 -3.246 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.118 -6.275 -3.840 1.00 0.00 C ATOM 1249 C PHE 1 81 3.739 -4.926 -3.684 1.00 0.00 C ATOM 1250 O PHE 1 81 4.741 -4.749 -3.021 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.714 -6.226 -3.247 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.688 -6.117 -1.759 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.227 -7.125 -0.984 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.096 -5.024 -1.131 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.183 -7.049 0.395 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.043 -4.947 0.236 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.586 -5.959 1.005 1.00 0.00 C ATOM 0 H PHE 1 81 4.574 -6.972 -2.501 1.00 0.00 H new ATOM 0 HA PHE 1 81 3.031 -6.543 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.180 -5.376 -3.673 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.173 -7.124 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.686 -7.979 -1.459 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.674 -4.229 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.613 -7.837 0.995 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.578 -4.097 0.712 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.545 -5.899 2.083 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.126 -3.967 -4.295 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.613 -2.626 -4.210 1.00 0.00 C ATOM 1269 C VAL 1 82 2.438 -1.710 -4.012 1.00 0.00 C ATOM 1270 O VAL 1 82 1.489 -1.743 -4.771 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.428 -2.280 -5.478 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.092 -0.903 -6.047 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 5.916 -2.382 -5.176 1.00 0.00 C ATOM 0 H VAL 1 82 2.285 -4.085 -4.860 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.288 -2.507 -3.363 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.154 -3.005 -6.244 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.696 -0.719 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 3.036 -0.867 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.304 -0.139 -5.299 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.487 -2.138 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.174 -1.684 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.154 -3.398 -4.860 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.499 -0.909 -2.974 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.417 -0.006 -2.667 1.00 0.00 C ATOM 1285 C ILE 1 83 1.379 1.141 -3.641 1.00 0.00 C ATOM 1286 O ILE 1 83 2.273 1.987 -3.655 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.580 0.578 -1.266 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.311 -0.467 -0.173 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.692 1.799 -1.075 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.567 -1.903 -0.582 1.00 0.00 C ATOM 0 H ILE 1 83 3.287 -0.865 -2.328 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.494 -0.582 -2.731 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.620 0.891 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 1.933 -0.235 0.691 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.273 -0.376 0.148 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.828 2.194 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 0.962 2.563 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.351 1.516 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.349 -2.565 0.256 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 0.925 -2.161 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.611 -2.018 -0.873 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.332 1.191 -4.433 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.191 2.269 -5.378 1.00 0.00 C ATOM 1304 C ASN 1 84 0.259 3.600 -4.628 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.630 3.918 -3.837 1.00 0.00 O ATOM 1306 CB ASN 1 84 -1.144 2.160 -6.114 1.00 0.00 C ATOM 1307 CG ASN 1 84 -1.008 2.241 -7.618 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -1.573 1.429 -8.350 1.00 0.00 O ATOM 1309 ND2 ASN 1 84 -0.256 3.222 -8.088 1.00 0.00 N ATOM 0 H ASN 1 84 -0.424 0.506 -4.441 1.00 0.00 H new ATOM 0 HA ASN 1 84 0.996 2.213 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.620 1.216 -5.850 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.805 2.957 -5.773 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 -0.126 3.328 -9.094 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 0.194 3.873 -7.444 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.296 4.411 -4.881 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.457 5.727 -4.243 1.00 0.00 C ATOM 1318 C PRO 1 85 0.338 6.631 -4.660 1.00 0.00 C ATOM 1319 O PRO 1 85 -0.051 7.566 -3.961 1.00 0.00 O ATOM 1320 CB PRO 1 85 2.769 6.232 -4.830 1.00 0.00 C ATOM 1321 CG PRO 1 85 2.806 5.553 -6.146 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.374 4.156 -5.841 1.00 0.00 C ATOM 0 HA PRO 1 85 1.452 5.687 -3.154 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 2.778 7.317 -4.932 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 3.623 5.963 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.137 6.031 -6.861 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 3.806 5.576 -6.580 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.023 3.628 -6.728 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.178 3.558 -5.412 1.00 0.00 H new ATOM 1330 N ASN 1 86 -0.170 6.328 -5.824 1.00 0.00 N ATOM 1331 CA ASN 1 86 -1.254 7.080 -6.388 1.00 0.00 C ATOM 1332 C ASN 1 86 -2.544 6.769 -5.644 1.00 0.00 C ATOM 1333 O ASN 1 86 -3.425 7.621 -5.520 1.00 0.00 O ATOM 1334 CB ASN 1 86 -1.386 6.795 -7.877 1.00 0.00 C ATOM 1335 CG ASN 1 86 -0.755 7.876 -8.732 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 -1.402 8.450 -9.607 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 0.519 8.156 -8.482 1.00 0.00 N ATOM 0 H ASN 1 86 0.156 5.555 -6.405 1.00 0.00 H new ATOM 0 HA ASN 1 86 -1.046 8.144 -6.276 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.918 5.837 -8.103 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -2.441 6.702 -8.134 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 1.000 8.873 -9.026 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 1.017 7.654 -7.746 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.613 5.568 -5.081 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.744 5.186 -4.265 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.500 5.734 -2.888 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.289 5.540 -1.969 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.829 3.697 -4.116 1.00 0.00 C ATOM 1349 CG ASN 1 87 -5.250 3.185 -4.075 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.957 3.347 -3.080 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -5.668 2.563 -5.163 1.00 0.00 N ATOM 0 H ASN 1 87 -1.897 4.848 -5.178 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.656 5.560 -4.729 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -3.303 3.224 -4.945 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.316 3.400 -3.202 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -6.617 2.191 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -5.042 2.455 -5.961 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.350 6.369 -2.750 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.913 6.909 -1.543 1.00 0.00 C ATOM 1360 C VAL 1 88 -2.086 8.394 -1.476 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.661 9.157 -2.343 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.467 6.597 -1.349 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 0.030 7.388 -0.173 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.331 5.122 -1.134 1.00 0.00 C ATOM 0 H VAL 1 88 -1.697 6.510 -3.520 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.524 6.461 -0.759 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.131 6.870 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 1.087 7.175 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 -0.100 8.452 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.535 7.111 0.717 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.720 4.871 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -0.899 4.829 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.715 4.590 -2.005 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.682 8.756 -0.398 1.00 0.00 N ATOM 1375 CA LYS 1 89 -2.931 10.130 -0.075 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.804 10.621 0.779 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.357 11.762 0.664 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.237 10.280 0.686 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.437 9.717 -0.027 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.277 8.264 -0.393 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.895 8.051 -1.847 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -5.056 9.271 -2.693 1.00 0.00 N ATOM 0 H LYS 1 89 -3.021 8.098 0.304 1.00 0.00 H new ATOM 0 HA LYS 1 89 -3.004 10.709 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -4.139 9.787 1.653 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.410 11.338 0.884 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.316 9.831 0.607 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.619 10.296 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.515 7.817 0.245 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.211 7.740 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -3.858 7.719 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -5.506 7.249 -2.261 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -4.860 9.033 -3.686 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -6.030 9.626 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -4.391 10.004 -2.375 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.353 9.732 1.645 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.256 10.075 2.558 1.00 0.00 C ATOM 1398 C SER 1 90 0.091 8.958 3.531 1.00 0.00 C ATOM 1399 O SER 1 90 -0.622 7.975 3.642 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.631 11.323 3.360 1.00 0.00 C ATOM 1401 OG SER 1 90 -1.368 10.982 4.524 1.00 0.00 O ATOM 0 H SER 1 90 -1.714 8.783 1.742 1.00 0.00 H new ATOM 0 HA SER 1 90 0.622 10.250 1.936 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.273 11.862 3.644 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -1.221 11.996 2.737 1.00 0.00 H new ATOM 0 HG SER 1 90 -1.593 11.797 5.019 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.174 9.167 4.276 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.616 8.254 5.304 1.00 0.00 C ATOM 1409 C VAL 1 91 1.386 8.938 6.650 1.00 0.00 C ATOM 1410 O VAL 1 91 1.848 10.058 6.875 1.00 0.00 O ATOM 1411 CB VAL 1 91 3.099 7.875 5.143 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.219 6.447 4.643 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.819 8.835 4.205 1.00 0.00 C ATOM 0 H VAL 1 91 1.770 9.988 4.174 1.00 0.00 H new ATOM 0 HA VAL 1 91 1.051 7.325 5.232 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.577 7.950 6.120 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.272 6.188 4.532 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.752 5.770 5.359 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.719 6.356 3.679 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.864 8.539 4.113 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 3.347 8.807 3.223 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.762 9.847 4.606 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.609 8.298 7.507 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.248 8.863 8.773 1.00 0.00 C ATOM 1425 C GLY 1 92 1.144 8.477 9.916 1.00 0.00 C ATOM 1426 O GLY 1 92 2.110 7.727 9.774 1.00 0.00 O ATOM 0 H GLY 1 92 0.216 7.373 7.334 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.246 9.949 8.683 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.772 8.561 9.012 1.00 0.00 H new ATOM 1430 N THR 1 93 0.780 9.022 11.051 1.00 0.00 N ATOM 1431 CA THR 1 93 1.470 8.812 12.315 1.00 0.00 C ATOM 1432 C THR 1 93 1.372 7.373 12.757 1.00 0.00 C ATOM 1433 O THR 1 93 0.346 6.707 12.618 1.00 0.00 O ATOM 1434 CB THR 1 93 0.897 9.761 13.369 1.00 0.00 C ATOM 1435 OG1 THR 1 93 1.786 10.837 13.610 1.00 0.00 O ATOM 1436 CG2 THR 1 93 0.620 9.093 14.688 1.00 0.00 C ATOM 0 H THR 1 93 -0.026 9.642 11.131 1.00 0.00 H new ATOM 0 HA THR 1 93 2.530 9.031 12.183 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.048 10.113 12.955 1.00 0.00 H new ATOM 0 HG1 THR 1 93 1.402 11.434 14.285 1.00 0.00 H new ATOM 0 HG21 THR 1 93 0.216 9.824 15.388 1.00 0.00 H new ATOM 0 HG22 THR 1 93 -0.103 8.290 14.544 1.00 0.00 H new ATOM 0 HG23 THR 1 93 1.546 8.681 15.089 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.489 6.897 13.280 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.657 5.537 13.762 1.00 0.00 C ATOM 1446 C PRO 1 94 2.119 5.311 15.166 1.00 0.00 C ATOM 1447 O PRO 1 94 1.988 6.240 15.964 1.00 0.00 O ATOM 1448 CB PRO 1 94 4.157 5.404 13.732 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.607 6.735 14.172 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.727 7.680 13.442 1.00 0.00 C ATOM 0 HA PRO 1 94 2.108 4.808 13.166 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.507 4.617 14.399 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.523 5.162 12.734 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.507 6.852 15.251 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.657 6.900 13.929 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.557 8.596 14.007 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 4.152 7.972 12.482 1.00 0.00 H new ATOM 1458 N MET 1 95 1.832 4.054 15.450 1.00 0.00 N ATOM 1459 CA MET 1 95 1.324 3.638 16.752 1.00 0.00 C ATOM 1460 C MET 1 95 1.770 2.216 17.069 1.00 0.00 C ATOM 1461 O MET 1 95 1.720 1.343 16.204 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.202 3.731 16.792 1.00 0.00 C ATOM 1463 CG MET 1 95 -0.730 5.145 16.621 1.00 0.00 C ATOM 1464 SD MET 1 95 -2.526 5.239 16.768 1.00 0.00 S ATOM 1465 CE MET 1 95 -2.737 5.029 18.534 1.00 0.00 C ATOM 0 H MET 1 95 1.944 3.288 14.785 1.00 0.00 H new ATOM 0 HA MET 1 95 1.733 4.310 17.506 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.617 3.100 16.006 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.557 3.332 17.742 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.274 5.792 17.370 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -0.429 5.526 15.645 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -3.763 5.274 18.810 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -2.526 3.995 18.805 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -2.051 5.690 19.064 1.00 0.00 H new ATOM 1475 N LYS 1 96 2.185 1.973 18.304 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.618 0.636 18.698 1.00 0.00 C ATOM 1477 C LYS 1 96 1.421 -0.219 19.102 1.00 0.00 C ATOM 1478 O LYS 1 96 0.650 0.167 19.981 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.620 0.716 19.853 1.00 0.00 C ATOM 1480 CG LYS 1 96 4.960 1.315 19.456 1.00 0.00 C ATOM 1481 CD LYS 1 96 5.288 2.550 20.280 1.00 0.00 C ATOM 1482 CE LYS 1 96 6.140 3.534 19.494 1.00 0.00 C ATOM 1483 NZ LYS 1 96 5.879 4.942 19.899 1.00 0.00 N ATOM 0 H LYS 1 96 2.232 2.673 19.044 1.00 0.00 H new ATOM 0 HA LYS 1 96 3.106 0.170 17.842 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 3.189 1.313 20.657 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 3.783 -0.285 20.252 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 5.745 0.570 19.587 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 4.943 1.577 18.398 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 4.364 3.036 20.593 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 5.815 2.254 21.187 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 7.194 3.302 19.645 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 5.938 3.419 18.429 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 6.479 5.581 19.340 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 4.879 5.172 19.731 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 6.096 5.059 20.909 1.00 0.00 H new ATOM 1497 N GLY 1 97 1.259 -1.379 18.459 1.00 0.00 N ATOM 1498 CA GLY 1 97 0.134 -2.234 18.798 1.00 0.00 C ATOM 1499 C GLY 1 97 0.179 -3.601 18.144 1.00 0.00 C ATOM 1500 O GLY 1 97 0.188 -4.617 18.837 1.00 0.00 O ATOM 0 H GLY 1 97 1.873 -1.733 17.726 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 0.101 -2.361 19.880 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -0.790 -1.734 18.507 1.00 0.00 H new ATOM 1504 N SER 1 98 0.181 -3.632 16.814 1.00 0.00 N ATOM 1505 CA SER 1 98 0.205 -4.894 16.078 1.00 0.00 C ATOM 1506 C SER 1 98 1.453 -5.713 16.427 1.00 0.00 C ATOM 1507 O SER 1 98 2.372 -5.834 15.620 1.00 0.00 O ATOM 1508 CB SER 1 98 0.153 -4.631 14.569 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.181 -4.648 14.092 1.00 0.00 O ATOM 0 H SER 1 98 0.166 -2.800 16.224 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.673 -5.470 16.369 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.608 -3.665 14.350 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.739 -5.386 14.045 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.489 -5.575 14.015 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.477 -6.275 17.632 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.612 -7.076 18.062 1.00 0.00 C ATOM 1517 C GLY 1 99 3.509 -6.364 19.063 1.00 0.00 C ATOM 1518 O GLY 1 99 3.850 -6.928 20.104 1.00 0.00 O ATOM 0 H GLY 1 99 0.729 -6.190 18.321 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.246 -8.001 18.507 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.203 -7.354 17.189 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.899 -5.130 18.753 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.759 -4.378 19.641 1.00 0.00 C ATOM 1524 C GLY 1 100 5.556 -3.297 18.927 1.00 0.00 C ATOM 1525 O GLY 1 100 6.105 -2.396 19.561 1.00 0.00 O ATOM 0 H GLY 1 100 3.632 -4.639 17.900 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 4.152 -3.918 20.421 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.448 -5.063 20.135 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.621 -3.396 17.605 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.336 -2.465 16.778 1.00 0.00 C ATOM 1531 C LEU 1 101 5.587 -1.167 16.606 1.00 0.00 C ATOM 1532 O LEU 1 101 4.785 -0.772 17.442 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.509 -3.067 15.414 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.643 -4.576 15.332 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.299 -5.279 15.285 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.372 -4.864 14.082 1.00 0.00 C ATOM 0 H LEU 1 101 5.166 -4.143 17.080 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.290 -2.260 17.263 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.656 -2.770 14.804 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.395 -2.624 14.960 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.160 -4.938 16.220 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.454 -6.356 15.227 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.733 -5.042 16.186 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.744 -4.944 14.409 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.496 -5.941 13.973 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.807 -4.476 13.234 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.352 -4.387 14.114 1.00 0.00 H new ATOM 1548 N SER 1 102 5.875 -0.534 15.486 1.00 0.00 N ATOM 1549 CA SER 1 102 5.261 0.705 15.096 1.00 0.00 C ATOM 1550 C SER 1 102 4.468 0.500 13.819 1.00 0.00 C ATOM 1551 O SER 1 102 5.017 0.113 12.792 1.00 0.00 O ATOM 1552 CB SER 1 102 6.322 1.763 14.912 1.00 0.00 C ATOM 1553 OG SER 1 102 6.484 2.551 16.082 1.00 0.00 O ATOM 0 H SER 1 102 6.558 -0.880 14.812 1.00 0.00 H new ATOM 0 HA SER 1 102 4.577 1.039 15.876 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.270 1.288 14.659 1.00 0.00 H new ATOM 0 HB3 SER 1 102 6.054 2.406 14.074 1.00 0.00 H new ATOM 0 HG SER 1 102 7.179 3.225 15.929 1.00 0.00 H new ATOM 1559 N TRP 1 103 3.184 0.741 13.908 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.269 0.586 12.812 1.00 0.00 C ATOM 1561 C TRP 1 103 1.605 1.927 12.574 1.00 0.00 C ATOM 1562 O TRP 1 103 0.989 2.498 13.471 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.277 -0.491 13.172 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.992 -1.769 13.487 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.985 -1.904 14.397 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.831 -3.068 12.885 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.485 -3.161 14.371 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.787 -3.911 13.473 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 0.988 -3.608 11.917 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.925 -5.251 13.119 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.124 -4.938 11.574 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.087 -5.742 12.172 1.00 0.00 C ATOM 0 H TRP 1 103 2.738 1.059 14.768 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.769 0.283 11.892 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.684 -0.177 14.031 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.584 -0.648 12.346 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.330 -1.118 15.052 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.265 -3.496 14.937 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.238 -2.994 11.441 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.673 -5.877 13.582 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.470 -5.362 10.827 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.170 -6.778 11.877 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.800 2.452 11.390 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.295 3.775 11.049 1.00 0.00 C ATOM 1585 C ALA 1 104 0.114 3.785 10.118 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.034 2.938 9.240 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.404 4.648 10.496 1.00 0.00 C ATOM 0 H ALA 1 104 2.307 1.987 10.637 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.927 4.184 11.990 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 2.004 5.631 10.248 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.190 4.754 11.243 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.816 4.187 9.598 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.718 4.789 10.352 1.00 0.00 N ATOM 1594 CA GLN 1 105 -1.911 5.015 9.597 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.618 5.677 8.270 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.409 6.876 8.229 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.830 5.927 10.382 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.260 5.707 10.020 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.242 6.308 11.006 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.891 7.190 11.789 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.481 5.831 10.973 1.00 0.00 N ATOM 0 H GLN 1 105 -0.567 5.476 11.091 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.374 4.046 9.412 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.693 5.752 11.449 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.562 6.966 10.192 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.445 6.132 9.033 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.445 4.635 9.945 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.728 5.099 10.307 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.185 6.197 11.614 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.636 4.931 7.179 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.387 5.518 5.896 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.714 5.807 5.214 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.656 5.018 5.288 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.457 4.619 5.065 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.505 4.969 3.598 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 0.963 4.749 5.590 1.00 0.00 C ATOM 0 H VAL 1 106 -1.820 3.928 7.166 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.865 6.468 6.007 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.797 3.588 5.163 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.166 4.311 3.045 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.522 4.845 3.227 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 -0.193 6.004 3.461 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.627 4.113 5.004 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.288 5.786 5.508 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.994 4.441 6.635 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.789 6.966 4.603 1.00 0.00 N ATOM 1627 CA ASN 1 107 -3.992 7.425 3.956 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.065 6.923 2.531 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.415 7.464 1.643 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.008 8.955 3.947 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.350 9.531 4.352 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -5.908 10.383 3.662 1.00 0.00 O ATOM 1633 ND2 ASN 1 107 -5.876 9.066 5.478 1.00 0.00 N ATOM 0 H ASN 1 107 -2.010 7.621 4.541 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.849 7.039 4.507 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.239 9.326 4.625 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -3.751 9.311 2.949 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -6.778 9.416 5.802 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -5.379 8.359 6.019 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.868 5.900 2.327 1.00 0.00 N ATOM 1641 CA PHE 1 108 -5.068 5.331 1.052 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.402 5.777 0.487 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.317 6.173 1.203 1.00 0.00 O ATOM 1644 CB PHE 1 108 -5.089 3.811 1.131 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.760 3.123 1.234 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -3.059 3.124 2.424 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -3.238 2.429 0.155 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.854 2.457 2.538 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -2.039 1.753 0.263 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.345 1.769 1.456 1.00 0.00 C ATOM 0 H PHE 1 108 -5.400 5.447 3.070 1.00 0.00 H new ATOM 0 HA PHE 1 108 -4.247 5.660 0.415 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.689 3.523 1.995 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -5.601 3.431 0.247 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.458 3.653 3.277 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.775 2.416 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.312 2.474 3.472 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.645 1.212 -0.585 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.405 1.244 1.542 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.464 5.705 -0.810 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.629 6.087 -1.590 1.00 0.00 C ATOM 1662 C THR 1 109 -8.904 5.317 -1.234 1.00 0.00 C ATOM 1663 O THR 1 109 -9.909 5.900 -0.826 1.00 0.00 O ATOM 1664 CB THR 1 109 -7.294 5.939 -3.070 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -7.509 7.157 -3.760 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -8.095 4.880 -3.756 1.00 0.00 C ATOM 0 H THR 1 109 -5.688 5.370 -1.381 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.856 7.125 -1.348 1.00 0.00 H new ATOM 0 HB THR 1 109 -6.243 5.651 -3.098 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.286 7.040 -4.707 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -7.806 4.828 -4.806 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -7.908 3.917 -3.280 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -9.155 5.121 -3.683 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.853 4.011 -1.438 1.00 0.00 N ATOM 1675 CA THR 1 110 -9.991 3.134 -1.199 1.00 0.00 C ATOM 1676 C THR 1 110 -10.020 2.715 0.239 1.00 0.00 C ATOM 1677 O THR 1 110 -11.067 2.691 0.887 1.00 0.00 O ATOM 1678 CB THR 1 110 -9.922 1.903 -2.102 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -8.864 2.016 -3.039 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.202 1.659 -2.874 1.00 0.00 C ATOM 0 H THR 1 110 -8.021 3.527 -1.775 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.905 3.681 -1.431 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.755 1.062 -1.429 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -8.115 1.450 -2.757 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.088 0.771 -3.496 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -12.025 1.510 -2.175 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.415 2.520 -3.507 1.00 0.00 H new ATOM 1688 N GLY 1 111 -8.847 2.395 0.727 1.00 0.00 N ATOM 1689 CA GLY 1 111 -8.717 1.986 2.088 1.00 0.00 C ATOM 1690 C GLY 1 111 -8.738 3.157 3.038 1.00 0.00 C ATOM 1691 O GLY 1 111 -8.630 2.963 4.247 1.00 0.00 O ATOM 0 H GLY 1 111 -7.976 2.412 0.197 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -9.527 1.302 2.339 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -7.785 1.435 2.213 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.864 4.384 2.500 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.866 5.556 3.354 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.761 5.453 4.375 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.629 5.804 4.106 1.00 0.00 O ATOM 0 H GLY 1 112 -8.963 4.574 1.503 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.733 6.455 2.752 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.829 5.648 3.856 1.00 0.00 H new ATOM 1702 N ASN 1 113 -8.069 4.901 5.523 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.061 4.670 6.527 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.531 3.248 6.337 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.310 2.303 6.226 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.638 4.849 7.927 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.071 4.373 8.034 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.938 5.073 8.558 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.318 3.172 7.533 1.00 0.00 N ATOM 0 H ASN 1 113 -9.009 4.604 5.785 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.251 5.392 6.419 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -7.023 4.301 8.641 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.588 5.902 8.204 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.262 2.788 7.571 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.564 2.631 7.109 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.226 3.092 6.296 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.620 1.783 6.128 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.345 1.752 6.914 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.425 2.507 6.626 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.309 1.463 4.666 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -4.028 -0.016 4.504 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.451 1.900 3.762 1.00 0.00 C ATOM 0 H VAL 1 114 -4.558 3.858 6.377 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.330 1.035 6.480 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.419 2.019 4.371 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.808 -0.232 3.459 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -3.173 -0.293 5.120 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -4.901 -0.589 4.817 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -5.207 1.662 2.727 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.363 1.377 4.049 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.603 2.975 3.861 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.282 0.912 7.910 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.096 0.867 8.730 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.089 -0.133 8.254 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.406 -1.102 7.562 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.435 0.609 10.176 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.251 1.673 10.738 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.534 1.955 10.428 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -2.830 2.631 11.682 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -4.957 2.995 11.172 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -3.923 3.441 11.940 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.633 2.868 12.346 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -3.876 4.480 12.825 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.576 3.918 13.239 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.699 4.717 13.472 1.00 0.00 C ATOM 0 H TRP 1 115 -4.021 0.260 8.173 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.639 1.853 8.641 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -2.966 -0.339 10.261 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.515 0.513 10.753 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.129 1.428 9.697 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -5.899 3.386 11.162 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.769 2.246 12.168 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.745 5.095 13.007 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.655 4.125 13.763 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.634 5.534 14.175 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.136 0.134 8.631 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.237 -0.694 8.269 1.00 0.00 C ATOM 1758 C LEU 1 116 2.314 -0.549 9.292 1.00 0.00 C ATOM 1759 O LEU 1 116 2.537 0.550 9.785 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.775 -0.248 6.928 1.00 0.00 C ATOM 1761 CG LEU 1 116 2.081 -1.380 5.959 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.930 -1.555 4.984 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.375 -1.104 5.228 1.00 0.00 C ATOM 0 H LEU 1 116 0.389 0.940 9.202 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.912 -1.733 8.213 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 1.051 0.422 6.466 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.685 0.329 7.090 1.00 0.00 H new ATOM 0 HG LEU 1 116 2.199 -2.308 6.518 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 1.158 -2.368 4.294 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 0.019 -1.791 5.535 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 0.785 -0.632 4.422 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.584 -1.921 4.537 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 3.286 -0.171 4.671 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.189 -1.021 5.948 1.00 0.00 H new ATOM 1775 N ASN 1 117 3.028 -1.612 9.586 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.090 -1.460 10.538 1.00 0.00 C ATOM 1777 C ASN 1 117 5.094 -0.554 9.931 1.00 0.00 C ATOM 1778 O ASN 1 117 5.859 -0.867 9.023 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.650 -2.744 11.023 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.139 -2.734 11.311 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 6.965 -2.853 10.407 1.00 0.00 O ATOM 1782 ND2 ASN 1 117 6.477 -2.608 12.589 1.00 0.00 N ATOM 0 H ASN 1 117 2.899 -2.547 9.198 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.703 -1.016 11.455 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.123 -3.031 11.933 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.446 -3.515 10.280 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 7.461 -2.607 12.859 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 5.753 -2.512 13.301 1.00 0.00 H new ATOM 1789 N THR 1 118 4.934 0.613 10.429 1.00 0.00 N ATOM 1790 CA THR 1 118 5.644 1.791 10.017 1.00 0.00 C ATOM 1791 C THR 1 118 7.056 1.844 10.524 1.00 0.00 C ATOM 1792 O THR 1 118 7.691 2.899 10.491 1.00 0.00 O ATOM 1793 CB THR 1 118 4.867 2.981 10.504 1.00 0.00 C ATOM 1794 OG1 THR 1 118 5.272 4.163 9.834 1.00 0.00 O ATOM 1795 CG2 THR 1 118 5.015 3.189 11.989 1.00 0.00 C ATOM 0 H THR 1 118 4.268 0.796 11.180 1.00 0.00 H new ATOM 0 HA THR 1 118 5.725 1.783 8.930 1.00 0.00 H new ATOM 0 HB THR 1 118 3.820 2.772 10.285 1.00 0.00 H new ATOM 0 HG1 THR 1 118 6.246 4.255 9.893 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.436 4.060 12.294 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.651 2.308 12.518 1.00 0.00 H new ATOM 0 HG23 THR 1 118 6.066 3.349 12.231 1.00 0.00 H new ATOM 1803 N THR 1 119 7.555 0.721 10.985 1.00 0.00 N ATOM 1804 CA THR 1 119 8.930 0.685 11.468 1.00 0.00 C ATOM 1805 C THR 1 119 9.919 1.014 10.325 1.00 0.00 C ATOM 1806 O THR 1 119 11.101 0.676 10.405 1.00 0.00 O ATOM 1807 CB THR 1 119 9.255 -0.685 12.065 1.00 0.00 C ATOM 1808 OG1 THR 1 119 10.470 -0.638 12.791 1.00 0.00 O ATOM 1809 CG2 THR 1 119 9.383 -1.781 11.027 1.00 0.00 C ATOM 0 H THR 1 119 7.050 -0.164 11.039 1.00 0.00 H new ATOM 0 HA THR 1 119 9.035 1.440 12.247 1.00 0.00 H new ATOM 0 HB THR 1 119 8.413 -0.922 12.715 1.00 0.00 H new ATOM 0 HG1 THR 1 119 11.142 -0.148 12.273 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.614 -2.725 11.521 1.00 0.00 H new ATOM 0 HG22 THR 1 119 8.444 -1.877 10.482 1.00 0.00 H new ATOM 0 HG23 THR 1 119 10.183 -1.531 10.330 1.00 0.00 H new ATOM 1817 N SER 1 120 9.427 1.701 9.276 1.00 0.00 N ATOM 1818 CA SER 1 120 10.215 2.112 8.148 1.00 0.00 C ATOM 1819 C SER 1 120 9.315 2.947 7.249 1.00 0.00 C ATOM 1820 O SER 1 120 8.235 2.519 6.875 1.00 0.00 O ATOM 1821 CB SER 1 120 10.765 0.906 7.386 1.00 0.00 C ATOM 1822 OG SER 1 120 12.095 0.617 7.778 1.00 0.00 O ATOM 0 H SER 1 120 8.448 1.981 9.209 1.00 0.00 H new ATOM 0 HA SER 1 120 11.075 2.692 8.483 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.132 0.037 7.568 1.00 0.00 H new ATOM 0 HB3 SER 1 120 10.733 1.104 6.315 1.00 0.00 H new ATOM 0 HG SER 1 120 12.142 0.557 8.755 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.742 4.143 6.927 1.00 0.00 N ATOM 1829 CA LYS 1 121 8.949 5.023 6.088 1.00 0.00 C ATOM 1830 C LYS 1 121 9.023 4.517 4.662 1.00 0.00 C ATOM 1831 O LYS 1 121 8.021 4.425 3.941 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.454 6.447 6.250 1.00 0.00 C ATOM 1833 CG LYS 1 121 10.620 6.832 5.345 1.00 0.00 C ATOM 1834 CD LYS 1 121 10.584 8.310 4.989 1.00 0.00 C ATOM 1835 CE LYS 1 121 11.228 8.569 3.636 1.00 0.00 C ATOM 1836 NZ LYS 1 121 10.545 9.664 2.894 1.00 0.00 N ATOM 0 H LYS 1 121 10.634 4.534 7.231 1.00 0.00 H new ATOM 0 HA LYS 1 121 7.899 5.027 6.379 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 8.627 7.132 6.061 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 9.757 6.592 7.287 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 11.561 6.599 5.843 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 10.586 6.236 4.433 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 9.551 8.658 4.975 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 11.103 8.884 5.757 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 12.278 8.827 3.777 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 11.201 7.656 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 11.015 9.808 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 9.549 9.408 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 10.593 10.542 3.449 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.213 4.082 4.294 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.417 3.468 3.021 1.00 0.00 C ATOM 1852 C ASP 1 122 9.640 2.158 3.008 1.00 0.00 C ATOM 1853 O ASP 1 122 9.608 1.460 2.018 1.00 0.00 O ATOM 1854 CB ASP 1 122 11.889 3.230 2.766 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.655 4.517 2.535 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.090 5.441 1.915 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 13.820 4.600 2.976 1.00 0.00 O ATOM 0 H ASP 1 122 11.051 4.149 4.872 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.061 4.122 2.225 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.321 2.702 3.616 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 12.004 2.582 1.897 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.047 1.802 4.147 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.301 0.575 4.244 1.00 0.00 C ATOM 1864 C ASN 1 123 7.112 0.606 3.302 1.00 0.00 C ATOM 1865 O ASN 1 123 6.981 -0.215 2.410 1.00 0.00 O ATOM 1866 CB ASN 1 123 7.831 0.383 5.694 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.672 -0.551 5.746 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 6.628 -1.443 4.773 1.00 0.00 O flip ATOM 1869 ND2 ASN 1 123 5.836 -0.476 6.642 1.00 0.00 N flip ATOM 0 H ASN 1 123 9.076 2.352 5.005 1.00 0.00 H new ATOM 0 HA ASN 1 123 8.939 -0.261 3.958 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.649 -0.008 6.299 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.550 1.345 6.122 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 5.927 0.237 7.366 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 5.051 -1.127 6.663 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.272 1.561 3.474 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.132 1.689 2.595 1.00 0.00 C ATOM 1878 C LEU 1 124 5.603 1.980 1.197 1.00 0.00 C ATOM 1879 O LEU 1 124 5.292 1.270 0.244 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.187 2.782 3.051 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.302 3.158 4.508 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.139 1.922 5.395 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.639 3.840 4.748 1.00 0.00 C ATOM 0 H LEU 1 124 6.337 2.269 4.206 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.586 0.746 2.618 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.366 3.671 2.447 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.164 2.463 2.853 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.505 3.854 4.769 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.225 2.212 6.442 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.160 1.476 5.221 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 4.916 1.197 5.155 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 5.725 4.113 5.800 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.448 3.159 4.483 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 5.705 4.738 4.134 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.353 3.054 1.096 1.00 0.00 N ATOM 1896 CA LEU 1 125 6.882 3.491 -0.164 1.00 0.00 C ATOM 1897 C LEU 1 125 7.759 2.445 -0.822 1.00 0.00 C ATOM 1898 O LEU 1 125 7.666 2.218 -2.024 1.00 0.00 O ATOM 1899 CB LEU 1 125 7.706 4.745 0.048 1.00 0.00 C ATOM 1900 CG LEU 1 125 6.918 5.990 0.425 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.535 5.908 1.889 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 7.733 7.244 0.145 1.00 0.00 C ATOM 0 H LEU 1 125 6.610 3.644 1.887 1.00 0.00 H new ATOM 0 HA LEU 1 125 6.033 3.679 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.439 4.549 0.831 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.263 4.952 -0.866 1.00 0.00 H new ATOM 0 HG LEU 1 125 6.012 6.045 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 5.970 6.797 2.168 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 5.923 5.022 2.056 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.437 5.846 2.498 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.153 8.124 0.421 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 8.653 7.218 0.729 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 7.978 7.289 -0.916 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.647 1.847 -0.039 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.581 0.874 -0.579 1.00 0.00 C ATOM 1916 C TYR 1 126 9.311 -0.526 -0.061 1.00 0.00 C ATOM 1917 O TYR 1 126 9.576 -1.510 -0.748 1.00 0.00 O ATOM 1918 CB TYR 1 126 11.004 1.285 -0.207 1.00 0.00 C ATOM 1919 CG TYR 1 126 11.784 1.928 -1.326 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.442 3.189 -1.787 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 12.866 1.283 -1.910 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 12.155 3.792 -2.804 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.585 1.879 -2.927 1.00 0.00 C ATOM 1924 CZ TYR 1 126 13.225 3.134 -3.371 1.00 0.00 C ATOM 1925 OH TYR 1 126 13.940 3.733 -4.384 1.00 0.00 O ATOM 0 H TYR 1 126 8.739 2.018 0.962 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.455 0.856 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 10.960 1.978 0.633 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.545 0.403 0.136 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.605 3.708 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.150 0.300 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 11.875 4.775 -3.154 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.424 1.365 -3.372 1.00 0.00 H new ATOM 0 HH TYR 1 126 14.662 3.136 -4.672 1.00 0.00 H new ATOM 1935 N GLY 1 127 8.817 -0.620 1.160 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.576 -1.934 1.732 1.00 0.00 C ATOM 1937 C GLY 1 127 9.688 -2.336 2.666 1.00 0.00 C ATOM 1938 O GLY 1 127 9.944 -3.521 2.877 1.00 0.00 O ATOM 0 H GLY 1 127 8.581 0.170 1.760 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.629 -1.930 2.271 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.485 -2.670 0.933 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.354 -1.333 3.223 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.438 -1.553 4.136 1.00 0.00 C ATOM 1944 C LYS 1 128 10.919 -1.989 5.503 1.00 0.00 C ATOM 1945 O LYS 1 128 11.753 -2.265 6.392 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.221 -0.263 4.284 1.00 0.00 C ATOM 1947 CG LYS 1 128 12.816 0.247 2.990 1.00 0.00 C ATOM 1948 CD LYS 1 128 13.979 1.188 3.269 1.00 0.00 C ATOM 1949 CE LYS 1 128 14.624 1.683 1.984 1.00 0.00 C ATOM 1950 NZ LYS 1 128 15.886 2.429 2.248 1.00 0.00 N ATOM 1951 OXT LYS 1 128 9.683 -2.049 5.674 1.00 0.00 O ATOM 0 H LYS 1 128 10.149 -0.350 3.047 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.076 -2.344 3.743 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.565 0.503 4.697 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 13.024 -0.418 5.005 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.158 -0.593 2.385 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.052 0.766 2.412 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.626 2.040 3.850 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.725 0.675 3.876 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 14.833 0.835 1.333 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 13.925 2.329 1.452 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 16.454 2.470 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 15.660 3.395 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 16.427 1.944 2.992 1.00 0.00 H new