USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 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= -7.25! C(o=-7.4!,f=-13!) USER MOD Set 1.2: 1 109 THR OG1 : rot 163:sc= 0.524 USER MOD Set 1.3: 1 110 THR OG1 : rot 101:sc= -0.717 USER MOD Set 2.1: 1 49 THR OG1 : rot 170:sc= -2.13! USER MOD Set 2.2: 1 53 ASN : amide:sc= -5.34! C(o=-7.2!,f=-8.8!) USER MOD Set 2.3: 1 98 SER OG : rot -78:sc= 0.26 USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 24 TYR OH : rot 144:sc= -6.62! USER MOD Single : 1 25 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00232) USER MOD Single : 1 30 GLN :FLIP amide:sc= -6.83! C(o=-12!,f=-6.8!) USER MOD Single : 1 31 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.218) USER MOD Single : 1 33 ASN : amide:sc= -1.51 K(o=-1.5,f=-2) USER MOD Single : 1 37 GLN : amide:sc= -15.3! C(o=-15!,f=-18!) USER MOD Single : 1 40 ASN : amide:sc= -6.09! C(o=-6.1!,f=-9.5!) USER MOD Single : 1 41 ASN :FLIP amide:sc= -5.18! C(o=-15!,f=-5.2!) USER MOD Single : 1 46 THR OG1 : rot -84:sc= 0.00684 USER MOD Single : 1 64 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 65 SER OG : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc=-0.00488 X(o=-0.0049,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 :FLIP amide:sc= -3.68 F(o=-5.5,f=-3.7) USER MOD Single : 1 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 89 LYS NZ :NH3+ 140:sc= -1.5 (180deg=-3.99!) USER MOD Single : 1 90 SER OG : rot 180:sc= 0 USER MOD Single : 1 93 THR OG1 : rot 180:sc= 0.12 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 : 1 102 SER OG : rot 180:sc= 0 USER MOD Single : 1 105 GLN : amide:sc= -3.5! C(o=-3.5!,f=-3.5!) USER MOD Single : 1 107 ASN : amide:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : 1 113 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.8) USER MOD Single : 1 117 ASN : amide:sc= -14.5! C(o=-15!,f=-21!) USER MOD Single : 1 118 THR OG1 : rot -46:sc= -0.202 USER MOD Single : 1 119 THR OG1 : rot -45:sc= 0.362 USER MOD Single : 1 120 SER OG : rot 47:sc= 1.05 USER MOD Single : 1 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 123 ASN : amide:sc= -21! C(o=-21!,f=-21!) USER MOD Single : 1 126 TYR OH : rot 180:sc= 0 USER MOD Single : 1 128 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0.752) USER MOD ----------------------------------------------------------------- ATOM 320 N LYS 1 22 9.877 -0.178 -3.911 1.00 0.00 N ATOM 321 CA LYS 1 22 10.322 -1.551 -3.744 1.00 0.00 C ATOM 322 C LYS 1 22 9.152 -2.469 -3.374 1.00 0.00 C ATOM 323 O LYS 1 22 8.040 -2.007 -3.116 1.00 0.00 O ATOM 324 CB LYS 1 22 11.431 -1.622 -2.702 1.00 0.00 C ATOM 325 CG LYS 1 22 12.808 -1.857 -3.303 1.00 0.00 C ATOM 326 CD LYS 1 22 13.679 -2.714 -2.398 1.00 0.00 C ATOM 327 CE LYS 1 22 13.859 -4.114 -2.962 1.00 0.00 C ATOM 328 NZ LYS 1 22 15.116 -4.237 -3.751 1.00 0.00 N ATOM 0 HA LYS 1 22 10.723 -1.902 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 11.445 -0.693 -2.132 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 11.208 -2.424 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 12.703 -2.343 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 13.297 -0.899 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 14.654 -2.242 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 13.228 -2.775 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 13.871 -4.836 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 13.007 -4.363 -3.595 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 15.202 -5.206 -4.118 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 15.094 -3.566 -4.545 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 15.931 -4.025 -3.141 1.00 0.00 H new ATOM 342 N ILE 1 23 9.404 -3.771 -3.416 1.00 0.00 N ATOM 343 CA ILE 1 23 8.392 -4.785 -3.161 1.00 0.00 C ATOM 344 C ILE 1 23 7.953 -4.932 -1.700 1.00 0.00 C ATOM 345 O ILE 1 23 8.706 -4.673 -0.763 1.00 0.00 O ATOM 346 CB ILE 1 23 8.922 -6.142 -3.674 1.00 0.00 C ATOM 347 CG1 ILE 1 23 8.097 -6.579 -4.866 1.00 0.00 C ATOM 348 CG2 ILE 1 23 8.931 -7.212 -2.589 1.00 0.00 C ATOM 349 CD1 ILE 1 23 8.938 -6.966 -6.061 1.00 0.00 C ATOM 0 H ILE 1 23 10.324 -4.155 -3.630 1.00 0.00 H new ATOM 0 HA ILE 1 23 7.498 -4.455 -3.691 1.00 0.00 H new ATOM 0 HB ILE 1 23 9.961 -6.010 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE 1 23 7.474 -7.426 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE 1 23 7.424 -5.770 -5.150 1.00 0.00 H new ATOM 0 HG21 ILE 1 23 9.312 -8.146 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE 1 23 9.571 -6.891 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE 1 23 7.917 -7.365 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE 1 23 8.287 -7.269 -6.881 1.00 0.00 H new ATOM 0 HD12 ILE 1 23 9.541 -6.113 -6.373 1.00 0.00 H new ATOM 0 HD13 ILE 1 23 9.593 -7.795 -5.792 1.00 0.00 H new ATOM 361 N TYR 1 24 6.718 -5.430 -1.559 1.00 0.00 N ATOM 362 CA TYR 1 24 6.088 -5.732 -0.287 1.00 0.00 C ATOM 363 C TYR 1 24 6.040 -7.248 -0.193 1.00 0.00 C ATOM 364 O TYR 1 24 6.275 -7.922 -1.189 1.00 0.00 O ATOM 365 CB TYR 1 24 4.653 -5.235 -0.269 1.00 0.00 C ATOM 366 CG TYR 1 24 4.378 -3.921 0.425 1.00 0.00 C ATOM 367 CD1 TYR 1 24 4.752 -2.710 -0.134 1.00 0.00 C ATOM 368 CD2 TYR 1 24 3.695 -3.900 1.629 1.00 0.00 C ATOM 369 CE1 TYR 1 24 4.460 -1.518 0.498 1.00 0.00 C ATOM 370 CE2 TYR 1 24 3.392 -2.718 2.262 1.00 0.00 C ATOM 371 CZ TYR 1 24 3.776 -1.529 1.696 1.00 0.00 C ATOM 372 OH TYR 1 24 3.458 -0.350 2.320 1.00 0.00 O ATOM 0 H TYR 1 24 6.119 -5.637 -2.358 1.00 0.00 H new ATOM 0 HA TYR 1 24 6.639 -5.263 0.528 1.00 0.00 H new ATOM 0 HB2 TYR 1 24 4.315 -5.147 -1.301 1.00 0.00 H new ATOM 0 HB3 TYR 1 24 4.038 -6.000 0.204 1.00 0.00 H new ATOM 0 HD1 TYR 1 24 5.279 -2.698 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR 1 24 3.393 -4.833 2.081 1.00 0.00 H new ATOM 0 HE1 TYR 1 24 4.766 -0.581 0.057 1.00 0.00 H new ATOM 0 HE2 TYR 1 24 2.855 -2.725 3.199 1.00 0.00 H new ATOM 0 HH TYR 1 24 2.582 -0.434 2.752 1.00 0.00 H new ATOM 382 N LYS 1 25 5.710 -7.800 0.953 1.00 0.00 N ATOM 383 CA LYS 1 25 5.615 -9.251 1.058 1.00 0.00 C ATOM 384 C LYS 1 25 4.193 -9.685 1.393 1.00 0.00 C ATOM 385 O LYS 1 25 3.712 -9.467 2.496 1.00 0.00 O ATOM 386 CB LYS 1 25 6.575 -9.778 2.102 1.00 0.00 C ATOM 387 CG LYS 1 25 7.971 -10.060 1.568 1.00 0.00 C ATOM 388 CD LYS 1 25 8.743 -8.776 1.301 1.00 0.00 C ATOM 389 CE LYS 1 25 9.979 -9.033 0.455 1.00 0.00 C ATOM 390 NZ LYS 1 25 10.961 -9.906 1.157 1.00 0.00 N ATOM 0 H LYS 1 25 5.506 -7.287 1.811 1.00 0.00 H new ATOM 0 HA LYS 1 25 5.885 -9.670 0.089 1.00 0.00 H new ATOM 0 HB2 LYS 1 25 6.646 -9.055 2.914 1.00 0.00 H new ATOM 0 HB3 LYS 1 25 6.167 -10.695 2.527 1.00 0.00 H new ATOM 0 HG2 LYS 1 25 8.518 -10.671 2.286 1.00 0.00 H new ATOM 0 HG3 LYS 1 25 7.898 -10.639 0.647 1.00 0.00 H new ATOM 0 HD2 LYS 1 25 8.096 -8.061 0.793 1.00 0.00 H new ATOM 0 HD3 LYS 1 25 9.037 -8.324 2.248 1.00 0.00 H new ATOM 0 HE2 LYS 1 25 9.685 -9.500 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS 1 25 10.452 -8.083 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS 1 25 11.797 -10.043 0.554 1.00 0.00 H new ATOM 0 HZ2 LYS 1 25 11.249 -9.457 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS 1 25 10.524 -10.828 1.358 1.00 0.00 H new ATOM 404 N VAL 1 26 3.513 -10.316 0.459 1.00 0.00 N ATOM 405 CA VAL 1 26 2.171 -10.761 0.723 1.00 0.00 C ATOM 406 C VAL 1 26 2.199 -12.052 1.495 1.00 0.00 C ATOM 407 O VAL 1 26 2.088 -13.147 0.940 1.00 0.00 O ATOM 408 CB VAL 1 26 1.319 -10.906 -0.529 1.00 0.00 C ATOM 409 CG1 VAL 1 26 -0.006 -10.289 -0.236 1.00 0.00 C ATOM 410 CG2 VAL 1 26 1.965 -10.234 -1.717 1.00 0.00 C ATOM 0 H VAL 1 26 3.865 -10.528 -0.475 1.00 0.00 H new ATOM 0 HA VAL 1 26 1.697 -9.982 1.320 1.00 0.00 H new ATOM 0 HB VAL 1 26 1.210 -11.960 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 -0.648 -10.373 -1.113 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 -0.470 -10.805 0.605 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 0.130 -9.237 0.015 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 1.330 -10.357 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 2.094 -9.172 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 2.938 -10.687 -1.907 1.00 0.00 H new ATOM 420 N ASP 1 27 2.383 -11.874 2.784 1.00 0.00 N ATOM 421 CA ASP 1 27 2.473 -12.976 3.741 1.00 0.00 C ATOM 422 C ASP 1 27 1.104 -13.472 4.165 1.00 0.00 C ATOM 423 O ASP 1 27 0.951 -14.629 4.556 1.00 0.00 O ATOM 424 CB ASP 1 27 3.319 -12.571 4.958 1.00 0.00 C ATOM 425 CG ASP 1 27 4.798 -12.758 4.690 1.00 0.00 C ATOM 426 OD1 ASP 1 27 5.302 -13.881 4.898 1.00 0.00 O ATOM 427 OD2 ASP 1 27 5.451 -11.782 4.268 1.00 0.00 O ATOM 0 H ASP 1 27 2.477 -10.953 3.211 1.00 0.00 H new ATOM 0 HA ASP 1 27 2.970 -13.806 3.239 1.00 0.00 H new ATOM 0 HB2 ASP 1 27 3.122 -11.529 5.209 1.00 0.00 H new ATOM 0 HB3 ASP 1 27 3.026 -13.168 5.822 1.00 0.00 H new ATOM 432 N ASP 1 28 0.107 -12.604 4.091 1.00 0.00 N ATOM 433 CA ASP 1 28 -1.239 -12.995 4.480 1.00 0.00 C ATOM 434 C ASP 1 28 -2.262 -11.907 4.190 1.00 0.00 C ATOM 435 O ASP 1 28 -2.246 -10.842 4.806 1.00 0.00 O ATOM 436 CB ASP 1 28 -1.271 -13.340 5.967 1.00 0.00 C ATOM 437 CG ASP 1 28 -2.378 -14.317 6.314 1.00 0.00 C ATOM 438 OD1 ASP 1 28 -3.544 -13.881 6.414 1.00 0.00 O ATOM 439 OD2 ASP 1 28 -2.078 -15.517 6.485 1.00 0.00 O ATOM 0 H ASP 1 28 0.201 -11.640 3.771 1.00 0.00 H new ATOM 0 HA ASP 1 28 -1.506 -13.869 3.885 1.00 0.00 H new ATOM 0 HB2 ASP 1 28 -0.311 -13.766 6.258 1.00 0.00 H new ATOM 0 HB3 ASP 1 28 -1.403 -12.426 6.546 1.00 0.00 H new ATOM 444 N LEU 1 29 -3.177 -12.196 3.276 1.00 0.00 N ATOM 445 CA LEU 1 29 -4.225 -11.264 2.946 1.00 0.00 C ATOM 446 C LEU 1 29 -5.569 -11.965 2.970 1.00 0.00 C ATOM 447 O LEU 1 29 -5.711 -13.082 2.481 1.00 0.00 O ATOM 448 CB LEU 1 29 -3.983 -10.593 1.619 1.00 0.00 C ATOM 449 CG LEU 1 29 -5.215 -10.510 0.748 1.00 0.00 C ATOM 450 CD1 LEU 1 29 -5.291 -9.180 0.053 1.00 0.00 C ATOM 451 CD2 LEU 1 29 -5.216 -11.662 -0.209 1.00 0.00 C ATOM 0 H LEU 1 29 -3.208 -13.072 2.754 1.00 0.00 H new ATOM 0 HA LEU 1 29 -4.227 -10.477 3.700 1.00 0.00 H new ATOM 0 HB2 LEU 1 29 -3.604 -9.586 1.794 1.00 0.00 H new ATOM 0 HB3 LEU 1 29 -3.206 -11.137 1.083 1.00 0.00 H new ATOM 0 HG LEU 1 29 -6.111 -10.582 1.364 1.00 0.00 H new ATOM 0 HD11 LEU 1 29 -6.186 -9.145 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU 1 29 -5.333 -8.383 0.796 1.00 0.00 H new ATOM 0 HD13 LEU 1 29 -4.409 -9.046 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU 1 29 -6.102 -11.609 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU 1 29 -4.323 -11.618 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU 1 29 -5.224 -12.598 0.349 1.00 0.00 H new ATOM 463 N GLN 1 30 -6.534 -11.292 3.570 1.00 0.00 N ATOM 464 CA GLN 1 30 -7.887 -11.811 3.739 1.00 0.00 C ATOM 465 C GLN 1 30 -8.947 -10.850 3.268 1.00 0.00 C ATOM 466 O GLN 1 30 -8.723 -9.646 3.203 1.00 0.00 O ATOM 467 CB GLN 1 30 -8.144 -12.077 5.229 1.00 0.00 C ATOM 468 CG GLN 1 30 -8.121 -13.540 5.610 1.00 0.00 C ATOM 469 CD GLN 1 30 -6.790 -14.165 5.303 1.00 0.00 C ATOM 470 OE1 GLN 1 30 -6.487 -14.243 4.023 1.00 0.00 O flip ATOM 471 NE2 GLN 1 30 -6.050 -14.576 6.197 1.00 0.00 N flip ATOM 0 H GLN 1 30 -6.403 -10.358 3.960 1.00 0.00 H new ATOM 0 HA GLN 1 30 -7.949 -12.719 3.139 1.00 0.00 H new ATOM 0 HB2 GLN 1 30 -7.393 -11.548 5.816 1.00 0.00 H new ATOM 0 HB3 GLN 1 30 -9.113 -11.658 5.500 1.00 0.00 H new ATOM 0 HG2 GLN 1 30 -8.337 -13.644 6.673 1.00 0.00 H new ATOM 0 HG3 GLN 1 30 -8.907 -14.070 5.072 1.00 0.00 H new ATOM 0 HE21 GLN 1 30 -6.333 -14.491 7.173 1.00 0.00 H new ATOM 0 HE22 GLN 1 30 -5.153 -15.002 5.962 1.00 0.00 H new ATOM 480 N LYS 1 31 -10.142 -11.377 3.018 1.00 0.00 N ATOM 481 CA LYS 1 31 -11.232 -10.506 2.670 1.00 0.00 C ATOM 482 C LYS 1 31 -11.562 -9.809 3.980 1.00 0.00 C ATOM 483 O LYS 1 31 -12.062 -10.429 4.918 1.00 0.00 O ATOM 484 CB LYS 1 31 -12.428 -11.285 2.113 1.00 0.00 C ATOM 485 CG LYS 1 31 -13.302 -10.512 1.124 1.00 0.00 C ATOM 486 CD LYS 1 31 -12.596 -9.312 0.509 1.00 0.00 C ATOM 487 CE LYS 1 31 -13.280 -8.863 -0.772 1.00 0.00 C ATOM 488 NZ LYS 1 31 -14.757 -8.758 -0.610 1.00 0.00 N ATOM 0 H LYS 1 31 -10.365 -12.372 3.051 1.00 0.00 H new ATOM 0 HA LYS 1 31 -10.975 -9.804 1.877 1.00 0.00 H new ATOM 0 HB2 LYS 1 31 -12.059 -12.185 1.621 1.00 0.00 H new ATOM 0 HB3 LYS 1 31 -13.050 -11.610 2.947 1.00 0.00 H new ATOM 0 HG2 LYS 1 31 -13.621 -11.185 0.328 1.00 0.00 H new ATOM 0 HG3 LYS 1 31 -14.203 -10.173 1.634 1.00 0.00 H new ATOM 0 HD2 LYS 1 31 -12.583 -8.489 1.224 1.00 0.00 H new ATOM 0 HD3 LYS 1 31 -11.557 -9.567 0.299 1.00 0.00 H new ATOM 0 HE2 LYS 1 31 -12.879 -7.896 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS 1 31 -13.052 -9.569 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS 1 31 -15.158 -8.231 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS 1 31 -15.172 -9.711 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS 1 31 -14.974 -8.258 0.276 1.00 0.00 H new ATOM 502 N ILE 1 32 -11.131 -8.568 4.085 1.00 0.00 N ATOM 503 CA ILE 1 32 -11.217 -7.832 5.333 1.00 0.00 C ATOM 504 C ILE 1 32 -11.981 -6.516 5.194 1.00 0.00 C ATOM 505 O ILE 1 32 -11.603 -5.638 4.422 1.00 0.00 O ATOM 506 CB ILE 1 32 -9.746 -7.628 5.774 1.00 0.00 C ATOM 507 CG1 ILE 1 32 -9.038 -8.985 5.689 1.00 0.00 C ATOM 508 CG2 ILE 1 32 -9.574 -7.011 7.148 1.00 0.00 C ATOM 509 CD1 ILE 1 32 -8.211 -9.333 6.883 1.00 0.00 C ATOM 0 H ILE 1 32 -10.714 -8.044 3.316 1.00 0.00 H new ATOM 0 HA ILE 1 32 -11.789 -8.379 6.082 1.00 0.00 H new ATOM 0 HB ILE 1 32 -9.299 -6.899 5.098 1.00 0.00 H new ATOM 0 HG12 ILE 1 32 -9.788 -9.762 5.544 1.00 0.00 H new ATOM 0 HG13 ILE 1 32 -8.398 -8.991 4.806 1.00 0.00 H new ATOM 0 HG21 ILE 1 32 -8.512 -6.907 7.370 1.00 0.00 H new ATOM 0 HG22 ILE 1 32 -10.047 -6.029 7.168 1.00 0.00 H new ATOM 0 HG23 ILE 1 32 -10.040 -7.653 7.896 1.00 0.00 H new ATOM 0 HD11 ILE 1 32 -7.749 -10.309 6.734 1.00 0.00 H new ATOM 0 HD12 ILE 1 32 -7.434 -8.581 7.019 1.00 0.00 H new ATOM 0 HD13 ILE 1 32 -8.846 -9.364 7.769 1.00 0.00 H new ATOM 521 N ASN 1 33 -13.077 -6.401 5.948 1.00 0.00 N ATOM 522 CA ASN 1 33 -13.922 -5.215 5.910 1.00 0.00 C ATOM 523 C ASN 1 33 -14.505 -5.024 4.515 1.00 0.00 C ATOM 524 O ASN 1 33 -14.649 -3.899 4.036 1.00 0.00 O ATOM 525 CB ASN 1 33 -13.119 -3.984 6.313 1.00 0.00 C ATOM 526 CG ASN 1 33 -12.735 -3.998 7.777 1.00 0.00 C ATOM 527 OD1 ASN 1 33 -12.998 -4.965 8.492 1.00 0.00 O ATOM 528 ND2 ASN 1 33 -12.104 -2.923 8.230 1.00 0.00 N ATOM 0 H ASN 1 33 -13.398 -7.122 6.594 1.00 0.00 H new ATOM 0 HA ASN 1 33 -14.741 -5.349 6.617 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 -12.217 -3.927 5.704 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 -13.703 -3.088 6.102 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 -11.816 -2.875 9.207 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 -11.907 -2.145 7.601 1.00 0.00 H new ATOM 535 N GLY 1 34 -14.834 -6.139 3.868 1.00 0.00 N ATOM 536 CA GLY 1 34 -15.386 -6.092 2.536 1.00 0.00 C ATOM 537 C GLY 1 34 -14.337 -5.767 1.489 1.00 0.00 C ATOM 538 O GLY 1 34 -14.649 -5.633 0.305 1.00 0.00 O ATOM 0 H GLY 1 34 -14.725 -7.078 4.251 1.00 0.00 H new ATOM 0 HA2 GLY 1 34 -15.845 -7.052 2.301 1.00 0.00 H new ATOM 0 HA3 GLY 1 34 -16.177 -5.343 2.499 1.00 0.00 H new ATOM 542 N ILE 1 35 -13.088 -5.638 1.930 1.00 0.00 N ATOM 543 CA ILE 1 35 -11.986 -5.328 1.048 1.00 0.00 C ATOM 544 C ILE 1 35 -10.810 -6.240 1.357 1.00 0.00 C ATOM 545 O ILE 1 35 -10.494 -6.483 2.519 1.00 0.00 O ATOM 546 CB ILE 1 35 -11.531 -3.859 1.207 1.00 0.00 C ATOM 547 CG1 ILE 1 35 -12.320 -3.155 2.318 1.00 0.00 C ATOM 548 CG2 ILE 1 35 -11.678 -3.109 -0.109 1.00 0.00 C ATOM 549 CD1 ILE 1 35 -11.472 -2.245 3.174 1.00 0.00 C ATOM 0 H ILE 1 35 -12.821 -5.747 2.908 1.00 0.00 H new ATOM 0 HA ILE 1 35 -12.327 -5.480 0.024 1.00 0.00 H new ATOM 0 HB ILE 1 35 -10.478 -3.861 1.490 1.00 0.00 H new ATOM 0 HG12 ILE 1 35 -13.124 -2.573 1.869 1.00 0.00 H new ATOM 0 HG13 ILE 1 35 -12.788 -3.907 2.953 1.00 0.00 H new ATOM 0 HG21 ILE 1 35 -11.353 -2.077 0.022 1.00 0.00 H new ATOM 0 HG22 ILE 1 35 -11.064 -3.589 -0.872 1.00 0.00 H new ATOM 0 HG23 ILE 1 35 -12.722 -3.124 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE 1 35 -12.095 -1.780 3.939 1.00 0.00 H new ATOM 0 HD12 ILE 1 35 -10.683 -2.826 3.652 1.00 0.00 H new ATOM 0 HD13 ILE 1 35 -11.025 -1.471 2.550 1.00 0.00 H new ATOM 561 N TRP 1 36 -10.150 -6.733 0.324 1.00 0.00 N ATOM 562 CA TRP 1 36 -9.009 -7.611 0.523 1.00 0.00 C ATOM 563 C TRP 1 36 -7.930 -6.875 1.313 1.00 0.00 C ATOM 564 O TRP 1 36 -7.596 -5.739 0.992 1.00 0.00 O ATOM 565 CB TRP 1 36 -8.472 -8.074 -0.832 1.00 0.00 C ATOM 566 CG TRP 1 36 -9.446 -8.946 -1.567 1.00 0.00 C ATOM 567 CD1 TRP 1 36 -10.140 -8.632 -2.700 1.00 0.00 C ATOM 568 CD2 TRP 1 36 -9.852 -10.270 -1.202 1.00 0.00 C ATOM 569 NE1 TRP 1 36 -10.951 -9.680 -3.062 1.00 0.00 N ATOM 570 CE2 TRP 1 36 -10.793 -10.698 -2.158 1.00 0.00 C ATOM 571 CE3 TRP 1 36 -9.512 -11.136 -0.158 1.00 0.00 C ATOM 572 CZ2 TRP 1 36 -11.396 -11.953 -2.099 1.00 0.00 C ATOM 573 CZ3 TRP 1 36 -10.112 -12.379 -0.100 1.00 0.00 C ATOM 574 CH2 TRP 1 36 -11.045 -12.778 -1.066 1.00 0.00 C ATOM 0 H TRP 1 36 -10.380 -6.544 -0.651 1.00 0.00 H new ATOM 0 HA TRP 1 36 -9.315 -8.490 1.090 1.00 0.00 H new ATOM 0 HB2 TRP 1 36 -8.236 -7.203 -1.443 1.00 0.00 H new ATOM 0 HB3 TRP 1 36 -7.541 -8.620 -0.683 1.00 0.00 H new ATOM 0 HD1 TRP 1 36 -10.063 -7.696 -3.234 1.00 0.00 H new ATOM 0 HE1 TRP 1 36 -11.570 -9.698 -3.872 1.00 0.00 H new ATOM 0 HE3 TRP 1 36 -8.792 -10.838 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP 1 36 -12.115 -12.263 -2.843 1.00 0.00 H new ATOM 0 HZ3 TRP 1 36 -9.858 -13.054 0.703 1.00 0.00 H new ATOM 0 HH2 TRP 1 36 -11.496 -13.757 -0.994 1.00 0.00 H new ATOM 585 N GLN 1 37 -7.406 -7.507 2.362 1.00 0.00 N ATOM 586 CA GLN 1 37 -6.393 -6.870 3.193 1.00 0.00 C ATOM 587 C GLN 1 37 -5.095 -7.626 3.123 1.00 0.00 C ATOM 588 O GLN 1 37 -5.092 -8.831 2.960 1.00 0.00 O ATOM 589 CB GLN 1 37 -6.871 -6.792 4.633 1.00 0.00 C ATOM 590 CG GLN 1 37 -5.842 -6.275 5.614 1.00 0.00 C ATOM 591 CD GLN 1 37 -5.721 -7.107 6.897 1.00 0.00 C ATOM 592 OE1 GLN 1 37 -5.774 -6.580 8.009 1.00 0.00 O ATOM 593 NE2 GLN 1 37 -5.550 -8.405 6.767 1.00 0.00 N ATOM 0 H GLN 1 37 -7.665 -8.450 2.652 1.00 0.00 H new ATOM 0 HA GLN 1 37 -6.226 -5.861 2.817 1.00 0.00 H new ATOM 0 HB2 GLN 1 37 -7.749 -6.148 4.675 1.00 0.00 H new ATOM 0 HB3 GLN 1 37 -7.189 -7.785 4.950 1.00 0.00 H new ATOM 0 HG2 GLN 1 37 -4.870 -6.245 5.121 1.00 0.00 H new ATOM 0 HG3 GLN 1 37 -6.096 -5.249 5.882 1.00 0.00 H new ATOM 0 HE21 GLN 1 37 -5.509 -8.823 5.838 1.00 0.00 H new ATOM 0 HE22 GLN 1 37 -5.459 -8.993 7.596 1.00 0.00 H new ATOM 602 N VAL 1 38 -3.994 -6.897 3.212 1.00 0.00 N ATOM 603 CA VAL 1 38 -2.681 -7.503 3.095 1.00 0.00 C ATOM 604 C VAL 1 38 -1.826 -7.434 4.350 1.00 0.00 C ATOM 605 O VAL 1 38 -1.940 -6.501 5.152 1.00 0.00 O ATOM 606 CB VAL 1 38 -1.908 -6.827 1.950 1.00 0.00 C ATOM 607 CG1 VAL 1 38 -0.620 -7.584 1.676 1.00 0.00 C ATOM 608 CG2 VAL 1 38 -2.771 -6.760 0.701 1.00 0.00 C ATOM 0 H VAL 1 38 -3.985 -5.888 3.364 1.00 0.00 H new ATOM 0 HA VAL 1 38 -2.868 -8.560 2.906 1.00 0.00 H new ATOM 0 HB VAL 1 38 -1.654 -5.808 2.244 1.00 0.00 H new ATOM 0 HG11 VAL 1 38 -0.079 -7.099 0.864 1.00 0.00 H new ATOM 0 HG12 VAL 1 38 -0.002 -7.587 2.574 1.00 0.00 H new ATOM 0 HG13 VAL 1 38 -0.854 -8.610 1.394 1.00 0.00 H new ATOM 0 HG21 VAL 1 38 -2.212 -6.279 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL 1 38 -3.049 -7.769 0.396 1.00 0.00 H new ATOM 0 HG23 VAL 1 38 -3.672 -6.184 0.912 1.00 0.00 H new ATOM 618 N ARG 1 39 -0.948 -8.445 4.476 1.00 0.00 N ATOM 619 CA ARG 1 39 -0.010 -8.544 5.585 1.00 0.00 C ATOM 620 C ARG 1 39 1.328 -9.136 5.126 1.00 0.00 C ATOM 621 O ARG 1 39 1.348 -10.088 4.346 1.00 0.00 O ATOM 622 CB ARG 1 39 -0.586 -9.422 6.696 1.00 0.00 C ATOM 623 CG ARG 1 39 -1.856 -8.875 7.296 1.00 0.00 C ATOM 624 CD ARG 1 39 -2.786 -9.986 7.757 1.00 0.00 C ATOM 625 NE ARG 1 39 -2.142 -10.881 8.715 1.00 0.00 N ATOM 626 CZ ARG 1 39 -2.783 -11.844 9.374 1.00 0.00 C ATOM 627 NH1 ARG 1 39 -4.082 -12.036 9.182 1.00 0.00 N ATOM 628 NH2 ARG 1 39 -2.125 -12.618 10.226 1.00 0.00 N ATOM 0 H ARG 1 39 -0.877 -9.211 3.807 1.00 0.00 H new ATOM 0 HA ARG 1 39 0.158 -7.535 5.963 1.00 0.00 H new ATOM 0 HB2 ARG 1 39 -0.781 -10.418 6.297 1.00 0.00 H new ATOM 0 HB3 ARG 1 39 0.160 -9.534 7.483 1.00 0.00 H new ATOM 0 HG2 ARG 1 39 -1.611 -8.232 8.141 1.00 0.00 H new ATOM 0 HG3 ARG 1 39 -2.368 -8.254 6.561 1.00 0.00 H new ATOM 0 HD2 ARG 1 39 -3.675 -9.549 8.212 1.00 0.00 H new ATOM 0 HD3 ARG 1 39 -3.120 -10.560 6.893 1.00 0.00 H new ATOM 0 HE ARG 1 39 -1.144 -10.761 8.889 1.00 0.00 H new ATOM 0 HH11 ARG 1 39 -4.594 -11.445 8.527 1.00 0.00 H new ATOM 0 HH12 ARG 1 39 -4.569 -12.775 9.689 1.00 0.00 H new ATOM 0 HH21 ARG 1 39 -1.126 -12.476 10.377 1.00 0.00 H new ATOM 0 HH22 ARG 1 39 -2.617 -13.355 10.730 1.00 0.00 H new ATOM 642 N ASN 1 40 2.438 -8.643 5.680 1.00 0.00 N ATOM 643 CA ASN 1 40 3.738 -9.209 5.390 1.00 0.00 C ATOM 644 C ASN 1 40 4.454 -9.425 6.683 1.00 0.00 C ATOM 645 O ASN 1 40 4.249 -8.720 7.649 1.00 0.00 O ATOM 646 CB ASN 1 40 4.661 -8.386 4.497 1.00 0.00 C ATOM 647 CG ASN 1 40 4.010 -7.228 3.784 1.00 0.00 C ATOM 648 OD1 ASN 1 40 2.830 -7.271 3.436 1.00 0.00 O ATOM 649 ND2 ASN 1 40 4.792 -6.184 3.563 1.00 0.00 N ATOM 0 H ASN 1 40 2.453 -7.856 6.328 1.00 0.00 H new ATOM 0 HA ASN 1 40 3.522 -10.121 4.833 1.00 0.00 H new ATOM 0 HB2 ASN 1 40 5.479 -8.002 5.106 1.00 0.00 H new ATOM 0 HB3 ASN 1 40 5.102 -9.048 3.752 1.00 0.00 H new ATOM 0 HD21 ASN 1 40 4.423 -5.363 3.083 1.00 0.00 H new ATOM 0 HD22 ASN 1 40 5.764 -6.200 3.873 1.00 0.00 H new ATOM 656 N ASN 1 41 5.282 -10.408 6.676 1.00 0.00 N ATOM 657 CA ASN 1 41 6.061 -10.768 7.837 1.00 0.00 C ATOM 658 C ASN 1 41 6.973 -9.623 8.316 1.00 0.00 C ATOM 659 O ASN 1 41 7.447 -9.649 9.452 1.00 0.00 O ATOM 660 CB ASN 1 41 6.919 -12.000 7.518 1.00 0.00 C ATOM 661 CG ASN 1 41 7.533 -11.948 6.120 1.00 0.00 C ATOM 662 OD1 ASN 1 41 7.450 -10.784 5.476 1.00 0.00 O flip ATOM 663 ND2 ASN 1 41 8.077 -12.939 5.631 1.00 0.00 N flip ATOM 0 H ASN 1 41 5.449 -11.000 5.862 1.00 0.00 H new ATOM 0 HA ASN 1 41 5.359 -10.986 8.642 1.00 0.00 H new ATOM 0 HB2 ASN 1 41 7.716 -12.083 8.257 1.00 0.00 H new ATOM 0 HB3 ASN 1 41 6.306 -12.897 7.608 1.00 0.00 H new ATOM 0 HD21 ASN 1 41 8.118 -13.811 6.159 1.00 0.00 H new ATOM 0 HD22 ASN 1 41 8.486 -12.888 4.698 1.00 0.00 H new ATOM 670 N ILE 1 42 7.233 -8.629 7.455 1.00 0.00 N ATOM 671 CA ILE 1 42 8.086 -7.528 7.804 1.00 0.00 C ATOM 672 C ILE 1 42 7.321 -6.475 8.566 1.00 0.00 C ATOM 673 O ILE 1 42 7.729 -6.030 9.639 1.00 0.00 O ATOM 674 CB ILE 1 42 8.642 -6.871 6.553 1.00 0.00 C ATOM 675 CG1 ILE 1 42 9.209 -7.918 5.627 1.00 0.00 C ATOM 676 CG2 ILE 1 42 9.686 -5.871 6.928 1.00 0.00 C ATOM 677 CD1 ILE 1 42 8.227 -8.304 4.566 1.00 0.00 C ATOM 0 H ILE 1 42 6.853 -8.582 6.510 1.00 0.00 H new ATOM 0 HA ILE 1 42 8.892 -7.927 8.420 1.00 0.00 H new ATOM 0 HB ILE 1 42 7.838 -6.353 6.030 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 10.119 -7.539 5.161 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 9.490 -8.800 6.202 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 10.082 -5.403 6.027 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 9.245 -5.108 7.570 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 10.494 -6.371 7.461 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 8.670 -9.060 3.918 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 7.328 -8.707 5.032 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.967 -7.426 3.974 1.00 0.00 H new ATOM 689 N LEU 1 43 6.192 -6.093 7.997 1.00 0.00 N ATOM 690 CA LEU 1 43 5.338 -5.113 8.607 1.00 0.00 C ATOM 691 C LEU 1 43 4.185 -5.791 9.315 1.00 0.00 C ATOM 692 O LEU 1 43 3.440 -5.151 10.053 1.00 0.00 O ATOM 693 CB LEU 1 43 4.786 -4.141 7.574 1.00 0.00 C ATOM 694 CG LEU 1 43 5.819 -3.460 6.681 1.00 0.00 C ATOM 695 CD1 LEU 1 43 7.137 -3.241 7.413 1.00 0.00 C ATOM 696 CD2 LEU 1 43 6.034 -4.257 5.409 1.00 0.00 C ATOM 0 H LEU 1 43 5.851 -6.455 7.106 1.00 0.00 H new ATOM 0 HA LEU 1 43 5.938 -4.556 9.327 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 4.082 -4.678 6.938 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 4.220 -3.369 8.096 1.00 0.00 H new ATOM 0 HG LEU 1 43 5.428 -2.479 6.412 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 7.848 -2.754 6.745 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 6.968 -2.610 8.286 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 7.540 -4.202 7.733 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 6.774 -3.755 4.786 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 6.390 -5.256 5.661 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 5.093 -4.334 4.864 1.00 0.00 H new ATOM 708 N VAL 1 44 4.014 -7.090 9.075 1.00 0.00 N ATOM 709 CA VAL 1 44 2.920 -7.804 9.697 1.00 0.00 C ATOM 710 C VAL 1 44 3.263 -9.246 9.956 1.00 0.00 C ATOM 711 O VAL 1 44 2.730 -10.157 9.319 1.00 0.00 O ATOM 712 CB VAL 1 44 1.633 -7.739 8.888 1.00 0.00 C ATOM 713 CG1 VAL 1 44 0.442 -8.011 9.792 1.00 0.00 C ATOM 714 CG2 VAL 1 44 1.498 -6.395 8.196 1.00 0.00 C ATOM 0 H VAL 1 44 4.609 -7.652 8.467 1.00 0.00 H new ATOM 0 HA VAL 1 44 2.754 -7.296 10.647 1.00 0.00 H new ATOM 0 HB VAL 1 44 1.664 -8.506 8.114 1.00 0.00 H new ATOM 0 HG11 VAL 1 44 -0.477 -7.963 9.208 1.00 0.00 H new ATOM 0 HG12 VAL 1 44 0.540 -9.003 10.234 1.00 0.00 H new ATOM 0 HG13 VAL 1 44 0.408 -7.263 10.584 1.00 0.00 H new ATOM 0 HG21 VAL 1 44 0.571 -6.372 7.624 1.00 0.00 H new ATOM 0 HG22 VAL 1 44 1.484 -5.601 8.943 1.00 0.00 H new ATOM 0 HG23 VAL 1 44 2.343 -6.245 7.524 1.00 0.00 H new ATOM 724 N PRO 1 45 4.140 -9.472 10.925 1.00 0.00 N ATOM 725 CA PRO 1 45 4.537 -10.808 11.322 1.00 0.00 C ATOM 726 C PRO 1 45 3.301 -11.654 11.529 1.00 0.00 C ATOM 727 O PRO 1 45 3.285 -12.857 11.270 1.00 0.00 O ATOM 728 CB PRO 1 45 5.250 -10.536 12.639 1.00 0.00 C ATOM 729 CG PRO 1 45 5.842 -9.204 12.456 1.00 0.00 C ATOM 730 CD PRO 1 45 4.778 -8.441 11.748 1.00 0.00 C ATOM 0 HA PRO 1 45 5.154 -11.344 10.601 1.00 0.00 H new ATOM 0 HB2 PRO 1 45 4.556 -10.552 13.479 1.00 0.00 H new ATOM 0 HB3 PRO 1 45 6.013 -11.287 12.842 1.00 0.00 H new ATOM 0 HG2 PRO 1 45 6.097 -8.744 13.411 1.00 0.00 H new ATOM 0 HG3 PRO 1 45 6.760 -9.250 11.869 1.00 0.00 H new ATOM 0 HD2 PRO 1 45 4.074 -7.985 12.444 1.00 0.00 H new ATOM 0 HD3 PRO 1 45 5.192 -7.636 11.141 1.00 0.00 H new ATOM 738 N THR 1 46 2.259 -10.966 11.977 1.00 0.00 N ATOM 739 CA THR 1 46 0.958 -11.566 12.228 1.00 0.00 C ATOM 740 C THR 1 46 0.043 -10.596 12.976 1.00 0.00 C ATOM 741 O THR 1 46 0.511 -9.725 13.708 1.00 0.00 O ATOM 742 CB THR 1 46 1.113 -12.853 13.046 1.00 0.00 C ATOM 743 OG1 THR 1 46 -0.099 -13.587 13.061 1.00 0.00 O ATOM 744 CG2 THR 1 46 1.517 -12.609 14.485 1.00 0.00 C ATOM 0 H THR 1 46 2.295 -9.967 12.178 1.00 0.00 H new ATOM 0 HA THR 1 46 0.508 -11.801 11.264 1.00 0.00 H new ATOM 0 HB THR 1 46 1.909 -13.410 12.553 1.00 0.00 H new ATOM 0 HG1 THR 1 46 -0.682 -13.241 13.769 1.00 0.00 H new ATOM 0 HG21 THR 1 46 1.608 -13.563 15.004 1.00 0.00 H new ATOM 0 HG22 THR 1 46 2.475 -12.089 14.511 1.00 0.00 H new ATOM 0 HG23 THR 1 46 0.759 -11.999 14.977 1.00 0.00 H new ATOM 752 N ASP 1 47 -1.267 -10.789 12.827 1.00 0.00 N ATOM 753 CA ASP 1 47 -2.259 -9.962 13.532 1.00 0.00 C ATOM 754 C ASP 1 47 -2.388 -8.534 13.006 1.00 0.00 C ATOM 755 O ASP 1 47 -2.294 -7.579 13.779 1.00 0.00 O ATOM 756 CB ASP 1 47 -1.911 -9.858 14.999 1.00 0.00 C ATOM 757 CG ASP 1 47 -1.213 -11.088 15.554 1.00 0.00 C ATOM 758 OD1 ASP 1 47 -1.824 -12.178 15.535 1.00 0.00 O ATOM 759 OD2 ASP 1 47 -0.058 -10.959 16.013 1.00 0.00 O ATOM 0 H ASP 1 47 -1.670 -11.508 12.227 1.00 0.00 H new ATOM 0 HA ASP 1 47 -3.207 -10.473 13.362 1.00 0.00 H new ATOM 0 HB2 ASP 1 47 -1.270 -8.989 15.150 1.00 0.00 H new ATOM 0 HB3 ASP 1 47 -2.824 -9.683 15.568 1.00 0.00 H new ATOM 764 N PHE 1 48 -2.683 -8.375 11.732 1.00 0.00 N ATOM 765 CA PHE 1 48 -2.885 -7.071 11.173 1.00 0.00 C ATOM 766 C PHE 1 48 -4.314 -6.683 11.439 1.00 0.00 C ATOM 767 O PHE 1 48 -5.227 -7.294 10.898 1.00 0.00 O ATOM 768 CB PHE 1 48 -2.643 -7.105 9.676 1.00 0.00 C ATOM 769 CG PHE 1 48 -1.859 -5.952 9.099 1.00 0.00 C ATOM 770 CD1 PHE 1 48 -1.323 -4.937 9.886 1.00 0.00 C ATOM 771 CD2 PHE 1 48 -1.641 -5.909 7.740 1.00 0.00 C ATOM 772 CE1 PHE 1 48 -0.598 -3.913 9.303 1.00 0.00 C ATOM 773 CE2 PHE 1 48 -0.919 -4.897 7.163 1.00 0.00 C ATOM 774 CZ PHE 1 48 -0.399 -3.896 7.940 1.00 0.00 C ATOM 0 H PHE 1 48 -2.787 -9.142 11.068 1.00 0.00 H new ATOM 0 HA PHE 1 48 -2.195 -6.355 11.619 1.00 0.00 H new ATOM 0 HB2 PHE 1 48 -2.119 -8.030 9.435 1.00 0.00 H new ATOM 0 HB3 PHE 1 48 -3.610 -7.147 9.174 1.00 0.00 H new ATOM 0 HD1 PHE 1 48 -1.474 -4.949 10.955 1.00 0.00 H new ATOM 0 HD2 PHE 1 48 -2.048 -6.690 7.115 1.00 0.00 H new ATOM 0 HE1 PHE 1 48 -0.187 -3.126 9.918 1.00 0.00 H new ATOM 0 HE2 PHE 1 48 -0.760 -4.889 6.095 1.00 0.00 H new ATOM 0 HZ PHE 1 48 0.166 -3.095 7.485 1.00 0.00 H new ATOM 784 N THR 1 49 -4.511 -5.708 12.288 1.00 0.00 N ATOM 785 CA THR 1 49 -5.854 -5.286 12.632 1.00 0.00 C ATOM 786 C THR 1 49 -6.696 -5.126 11.387 1.00 0.00 C ATOM 787 O THR 1 49 -6.754 -4.057 10.783 1.00 0.00 O ATOM 788 CB THR 1 49 -5.844 -3.970 13.381 1.00 0.00 C ATOM 789 OG1 THR 1 49 -4.600 -3.756 14.019 1.00 0.00 O ATOM 790 CG2 THR 1 49 -6.921 -3.879 14.420 1.00 0.00 C ATOM 0 H THR 1 49 -3.766 -5.190 12.755 1.00 0.00 H new ATOM 0 HA THR 1 49 -6.279 -6.059 13.272 1.00 0.00 H new ATOM 0 HB THR 1 49 -6.024 -3.205 12.625 1.00 0.00 H new ATOM 0 HG1 THR 1 49 -4.560 -2.837 14.358 1.00 0.00 H new ATOM 0 HG21 THR 1 49 -6.862 -2.913 14.922 1.00 0.00 H new ATOM 0 HG22 THR 1 49 -7.896 -3.981 13.943 1.00 0.00 H new ATOM 0 HG23 THR 1 49 -6.790 -4.677 15.151 1.00 0.00 H new ATOM 798 N TRP 1 50 -7.373 -6.198 11.038 1.00 0.00 N ATOM 799 CA TRP 1 50 -8.255 -6.221 9.885 1.00 0.00 C ATOM 800 C TRP 1 50 -9.113 -4.957 9.842 1.00 0.00 C ATOM 801 O TRP 1 50 -9.539 -4.505 8.780 1.00 0.00 O ATOM 802 CB TRP 1 50 -9.194 -7.417 10.012 1.00 0.00 C ATOM 803 CG TRP 1 50 -8.594 -8.771 9.756 1.00 0.00 C ATOM 804 CD1 TRP 1 50 -7.270 -9.105 9.750 1.00 0.00 C ATOM 805 CD2 TRP 1 50 -9.312 -9.982 9.482 1.00 0.00 C ATOM 806 NE1 TRP 1 50 -7.121 -10.446 9.484 1.00 0.00 N ATOM 807 CE2 TRP 1 50 -8.360 -11.007 9.316 1.00 0.00 C ATOM 808 CE3 TRP 1 50 -10.667 -10.296 9.357 1.00 0.00 C ATOM 809 CZ2 TRP 1 50 -8.723 -12.321 9.034 1.00 0.00 C ATOM 810 CZ3 TRP 1 50 -11.026 -11.600 9.077 1.00 0.00 C ATOM 811 CH2 TRP 1 50 -10.057 -12.599 8.918 1.00 0.00 C ATOM 0 H TRP 1 50 -7.329 -7.082 11.545 1.00 0.00 H new ATOM 0 HA TRP 1 50 -7.649 -6.284 8.981 1.00 0.00 H new ATOM 0 HB2 TRP 1 50 -9.615 -7.415 11.017 1.00 0.00 H new ATOM 0 HB3 TRP 1 50 -10.023 -7.275 9.319 1.00 0.00 H new ATOM 0 HD1 TRP 1 50 -6.458 -8.416 9.928 1.00 0.00 H new ATOM 0 HE1 TRP 1 50 -6.232 -10.943 9.422 1.00 0.00 H new ATOM 0 HE3 TRP 1 50 -11.421 -9.532 9.477 1.00 0.00 H new ATOM 0 HZ2 TRP 1 50 -7.978 -13.093 8.911 1.00 0.00 H new ATOM 0 HZ3 TRP 1 50 -12.071 -11.854 8.979 1.00 0.00 H new ATOM 0 HH2 TRP 1 50 -10.370 -13.609 8.699 1.00 0.00 H new ATOM 822 N VAL 1 51 -9.366 -4.415 11.027 1.00 0.00 N ATOM 823 CA VAL 1 51 -10.185 -3.223 11.193 1.00 0.00 C ATOM 824 C VAL 1 51 -9.705 -2.094 10.327 1.00 0.00 C ATOM 825 O VAL 1 51 -10.454 -1.508 9.547 1.00 0.00 O ATOM 826 CB VAL 1 51 -10.210 -2.739 12.665 1.00 0.00 C ATOM 827 CG1 VAL 1 51 -8.912 -2.051 13.070 1.00 0.00 C ATOM 828 CG2 VAL 1 51 -11.383 -1.803 12.896 1.00 0.00 C ATOM 0 H VAL 1 51 -9.006 -4.793 11.904 1.00 0.00 H new ATOM 0 HA VAL 1 51 -11.193 -3.508 10.891 1.00 0.00 H new ATOM 0 HB VAL 1 51 -10.322 -3.626 13.289 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -8.979 -1.730 14.110 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -8.081 -2.747 12.958 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -8.746 -1.183 12.432 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -11.386 -1.473 13.935 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -11.292 -0.937 12.240 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -12.314 -2.326 12.679 1.00 0.00 H new ATOM 838 N ASP 1 52 -8.458 -1.774 10.516 1.00 0.00 N ATOM 839 CA ASP 1 52 -7.855 -0.678 9.796 1.00 0.00 C ATOM 840 C ASP 1 52 -6.359 -0.822 9.633 1.00 0.00 C ATOM 841 O ASP 1 52 -5.742 -0.097 8.855 1.00 0.00 O ATOM 842 CB ASP 1 52 -8.147 0.602 10.546 1.00 0.00 C ATOM 843 CG ASP 1 52 -7.655 1.841 9.822 1.00 0.00 C ATOM 844 OD1 ASP 1 52 -7.352 1.742 8.614 1.00 0.00 O ATOM 845 OD2 ASP 1 52 -7.572 2.911 10.462 1.00 0.00 O ATOM 0 H ASP 1 52 -7.833 -2.255 11.163 1.00 0.00 H new ATOM 0 HA ASP 1 52 -8.283 -0.669 8.794 1.00 0.00 H new ATOM 0 HB2 ASP 1 52 -9.222 0.685 10.706 1.00 0.00 H new ATOM 0 HB3 ASP 1 52 -7.681 0.554 11.530 1.00 0.00 H new ATOM 850 N ASN 1 53 -5.772 -1.739 10.364 1.00 0.00 N ATOM 851 CA ASN 1 53 -4.337 -1.923 10.281 1.00 0.00 C ATOM 852 C ASN 1 53 -3.994 -2.854 9.166 1.00 0.00 C ATOM 853 O ASN 1 53 -2.857 -2.908 8.705 1.00 0.00 O ATOM 854 CB ASN 1 53 -3.755 -2.403 11.606 1.00 0.00 C ATOM 855 CG ASN 1 53 -4.023 -1.457 12.780 1.00 0.00 C ATOM 856 OD1 ASN 1 53 -3.504 -1.668 13.877 1.00 0.00 O ATOM 857 ND2 ASN 1 53 -4.816 -0.401 12.569 1.00 0.00 N ATOM 0 H ASN 1 53 -6.253 -2.361 11.013 1.00 0.00 H new ATOM 0 HA ASN 1 53 -3.885 -0.954 10.067 1.00 0.00 H new ATOM 0 HB2 ASN 1 53 -4.170 -3.383 11.840 1.00 0.00 H new ATOM 0 HB3 ASN 1 53 -2.678 -2.531 11.494 1.00 0.00 H new ATOM 0 HD21 ASN 1 53 -5.005 0.255 13.327 1.00 0.00 H new ATOM 0 HD22 ASN 1 53 -5.232 -0.251 11.650 1.00 0.00 H new ATOM 864 N GLY 1 54 -5.000 -3.511 8.676 1.00 0.00 N ATOM 865 CA GLY 1 54 -4.831 -4.338 7.574 1.00 0.00 C ATOM 866 C GLY 1 54 -4.857 -3.503 6.334 1.00 0.00 C ATOM 867 O GLY 1 54 -5.607 -2.530 6.245 1.00 0.00 O ATOM 0 H GLY 1 54 -5.950 -3.474 9.045 1.00 0.00 H new ATOM 0 HA2 GLY 1 54 -3.885 -4.875 7.647 1.00 0.00 H new ATOM 0 HA3 GLY 1 54 -5.622 -5.088 7.540 1.00 0.00 H new ATOM 871 N ILE 1 55 -4.036 -3.855 5.392 1.00 0.00 N ATOM 872 CA ILE 1 55 -3.967 -3.094 4.161 1.00 0.00 C ATOM 873 C ILE 1 55 -5.043 -3.513 3.182 1.00 0.00 C ATOM 874 O ILE 1 55 -5.059 -4.639 2.725 1.00 0.00 O ATOM 875 CB ILE 1 55 -2.601 -3.235 3.446 1.00 0.00 C ATOM 876 CG1 ILE 1 55 -2.778 -3.349 1.952 1.00 0.00 C ATOM 877 CG2 ILE 1 55 -1.803 -4.381 3.948 1.00 0.00 C ATOM 878 CD1 ILE 1 55 -2.694 -2.021 1.287 1.00 0.00 C ATOM 0 H ILE 1 55 -3.406 -4.655 5.441 1.00 0.00 H new ATOM 0 HA ILE 1 55 -4.111 -2.056 4.462 1.00 0.00 H new ATOM 0 HB ILE 1 55 -2.046 -2.325 3.675 1.00 0.00 H new ATOM 0 HG12 ILE 1 55 -2.013 -4.010 1.544 1.00 0.00 H new ATOM 0 HG13 ILE 1 55 -3.743 -3.806 1.733 1.00 0.00 H new ATOM 0 HG21 ILE 1 55 -0.857 -4.429 3.410 1.00 0.00 H new ATOM 0 HG22 ILE 1 55 -1.609 -4.250 5.013 1.00 0.00 H new ATOM 0 HG23 ILE 1 55 -2.357 -5.307 3.791 1.00 0.00 H new ATOM 0 HD11 ILE 1 55 -2.826 -2.143 0.212 1.00 0.00 H new ATOM 0 HD12 ILE 1 55 -3.476 -1.369 1.677 1.00 0.00 H new ATOM 0 HD13 ILE 1 55 -1.719 -1.576 1.484 1.00 0.00 H new ATOM 890 N ALA 1 56 -5.917 -2.595 2.810 1.00 0.00 N ATOM 891 CA ALA 1 56 -6.916 -2.925 1.829 1.00 0.00 C ATOM 892 C ALA 1 56 -6.232 -3.079 0.497 1.00 0.00 C ATOM 893 O ALA 1 56 -6.072 -2.122 -0.256 1.00 0.00 O ATOM 894 CB ALA 1 56 -8.030 -1.892 1.783 1.00 0.00 C ATOM 0 H ALA 1 56 -5.951 -1.640 3.166 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.400 -3.863 2.100 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -8.763 -2.180 1.029 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -8.515 -1.836 2.758 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.612 -0.918 1.529 1.00 0.00 H new ATOM 900 N ALA 1 57 -5.774 -4.295 0.258 1.00 0.00 N ATOM 901 CA ALA 1 57 -5.031 -4.620 -0.938 1.00 0.00 C ATOM 902 C ALA 1 57 -5.501 -3.863 -2.180 1.00 0.00 C ATOM 903 O ALA 1 57 -4.697 -3.503 -3.036 1.00 0.00 O ATOM 904 CB ALA 1 57 -5.054 -6.113 -1.196 1.00 0.00 C ATOM 0 H ALA 1 57 -5.909 -5.083 0.891 1.00 0.00 H new ATOM 0 HA ALA 1 57 -4.008 -4.296 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA 1 57 -4.489 -6.335 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA 1 57 -4.605 -6.635 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA 1 57 -6.085 -6.445 -1.322 1.00 0.00 H new ATOM 910 N ASP 1 58 -6.795 -3.619 -2.276 1.00 0.00 N ATOM 911 CA ASP 1 58 -7.345 -2.902 -3.421 1.00 0.00 C ATOM 912 C ASP 1 58 -6.637 -1.567 -3.603 1.00 0.00 C ATOM 913 O ASP 1 58 -6.414 -1.110 -4.724 1.00 0.00 O ATOM 914 CB ASP 1 58 -8.836 -2.687 -3.246 1.00 0.00 C ATOM 915 CG ASP 1 58 -9.512 -2.232 -4.524 1.00 0.00 C ATOM 916 OD1 ASP 1 58 -9.959 -3.101 -5.301 1.00 0.00 O ATOM 917 OD2 ASP 1 58 -9.595 -1.006 -4.747 1.00 0.00 O ATOM 0 H ASP 1 58 -7.485 -3.903 -1.581 1.00 0.00 H new ATOM 0 HA ASP 1 58 -7.184 -3.505 -4.314 1.00 0.00 H new ATOM 0 HB2 ASP 1 58 -9.296 -3.615 -2.906 1.00 0.00 H new ATOM 0 HB3 ASP 1 58 -9.003 -1.944 -2.466 1.00 0.00 H new ATOM 922 N ASP 1 59 -6.284 -0.956 -2.484 1.00 0.00 N ATOM 923 CA ASP 1 59 -5.594 0.312 -2.467 1.00 0.00 C ATOM 924 C ASP 1 59 -4.192 0.198 -3.053 1.00 0.00 C ATOM 925 O ASP 1 59 -3.658 1.172 -3.585 1.00 0.00 O ATOM 926 CB ASP 1 59 -5.492 0.794 -1.024 1.00 0.00 C ATOM 927 CG ASP 1 59 -6.757 0.555 -0.225 1.00 0.00 C ATOM 928 OD1 ASP 1 59 -7.802 0.257 -0.840 1.00 0.00 O ATOM 929 OD2 ASP 1 59 -6.704 0.667 1.018 1.00 0.00 O ATOM 0 H ASP 1 59 -6.473 -1.335 -1.556 1.00 0.00 H new ATOM 0 HA ASP 1 59 -6.158 1.018 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP 1 59 -4.660 0.286 -0.536 1.00 0.00 H new ATOM 0 HB3 ASP 1 59 -5.262 1.860 -1.019 1.00 0.00 H new ATOM 934 N VAL 1 60 -3.582 -0.979 -2.933 1.00 0.00 N ATOM 935 CA VAL 1 60 -2.246 -1.174 -3.430 1.00 0.00 C ATOM 936 C VAL 1 60 -2.226 -1.874 -4.768 1.00 0.00 C ATOM 937 O VAL 1 60 -3.263 -2.077 -5.398 1.00 0.00 O ATOM 938 CB VAL 1 60 -1.417 -1.955 -2.435 1.00 0.00 C ATOM 939 CG1 VAL 1 60 -1.388 -1.218 -1.127 1.00 0.00 C ATOM 940 CG2 VAL 1 60 -1.957 -3.351 -2.284 1.00 0.00 C ATOM 0 H VAL 1 60 -3.999 -1.801 -2.496 1.00 0.00 H new ATOM 0 HA VAL 1 60 -1.815 -0.182 -3.568 1.00 0.00 H new ATOM 0 HB VAL 1 60 -0.393 -2.046 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL 1 60 -0.791 -1.778 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL 1 60 -0.947 -0.232 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL 1 60 -2.404 -1.108 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL 1 60 -1.350 -3.900 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL 1 60 -2.987 -3.306 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL 1 60 -1.926 -3.859 -3.248 1.00 0.00 H new ATOM 950 N ILE 1 61 -1.028 -2.197 -5.216 1.00 0.00 N ATOM 951 CA ILE 1 61 -0.843 -2.819 -6.483 1.00 0.00 C ATOM 952 C ILE 1 61 0.265 -3.851 -6.447 1.00 0.00 C ATOM 953 O ILE 1 61 1.436 -3.524 -6.274 1.00 0.00 O ATOM 954 CB ILE 1 61 -0.540 -1.752 -7.494 1.00 0.00 C ATOM 955 CG1 ILE 1 61 -0.013 -0.538 -6.797 1.00 0.00 C ATOM 956 CG2 ILE 1 61 -1.816 -1.368 -8.155 1.00 0.00 C ATOM 957 CD1 ILE 1 61 1.079 0.160 -7.532 1.00 0.00 C ATOM 0 H ILE 1 61 -0.164 -2.029 -4.700 1.00 0.00 H new ATOM 0 HA ILE 1 61 -1.756 -3.349 -6.756 1.00 0.00 H new ATOM 0 HB ILE 1 61 0.191 -2.123 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE 1 61 -0.834 0.161 -6.638 1.00 0.00 H new ATOM 0 HG13 ILE 1 61 0.354 -0.828 -5.813 1.00 0.00 H new ATOM 0 HG21 ILE 1 61 -1.623 -0.592 -8.896 1.00 0.00 H new ATOM 0 HG22 ILE 1 61 -2.248 -2.240 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE 1 61 -2.514 -0.990 -7.408 1.00 0.00 H new ATOM 0 HD11 ILE 1 61 1.405 1.029 -6.960 1.00 0.00 H new ATOM 0 HD12 ILE 1 61 1.919 -0.521 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE 1 61 0.713 0.484 -8.506 1.00 0.00 H new ATOM 969 N GLU 1 62 -0.130 -5.096 -6.598 1.00 0.00 N ATOM 970 CA GLU 1 62 0.785 -6.220 -6.561 1.00 0.00 C ATOM 971 C GLU 1 62 1.814 -6.184 -7.675 1.00 0.00 C ATOM 972 O GLU 1 62 1.477 -6.195 -8.859 1.00 0.00 O ATOM 973 CB GLU 1 62 -0.012 -7.519 -6.636 1.00 0.00 C ATOM 974 CG GLU 1 62 -1.179 -7.470 -7.611 1.00 0.00 C ATOM 975 CD GLU 1 62 -1.247 -8.692 -8.506 1.00 0.00 C ATOM 976 OE1 GLU 1 62 -1.339 -9.816 -7.971 1.00 0.00 O ATOM 977 OE2 GLU 1 62 -1.210 -8.523 -9.743 1.00 0.00 O ATOM 0 H GLU 1 62 -1.103 -5.361 -6.751 1.00 0.00 H new ATOM 0 HA GLU 1 62 1.336 -6.159 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU 1 62 0.658 -8.329 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU 1 62 -0.391 -7.759 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU 1 62 -2.111 -7.382 -7.052 1.00 0.00 H new ATOM 0 HG3 GLU 1 62 -1.093 -6.576 -8.229 1.00 0.00 H new ATOM 984 N VAL 1 63 3.078 -6.167 -7.274 1.00 0.00 N ATOM 985 CA VAL 1 63 4.172 -6.166 -8.217 1.00 0.00 C ATOM 986 C VAL 1 63 4.825 -7.544 -8.256 1.00 0.00 C ATOM 987 O VAL 1 63 4.785 -8.281 -7.271 1.00 0.00 O ATOM 988 CB VAL 1 63 5.247 -5.131 -7.828 1.00 0.00 C ATOM 989 CG1 VAL 1 63 4.867 -3.735 -8.280 1.00 0.00 C ATOM 990 CG2 VAL 1 63 5.491 -5.151 -6.330 1.00 0.00 C ATOM 0 H VAL 1 63 3.365 -6.154 -6.295 1.00 0.00 H new ATOM 0 HA VAL 1 63 3.764 -5.907 -9.194 1.00 0.00 H new ATOM 0 HB VAL 1 63 6.169 -5.408 -8.339 1.00 0.00 H new ATOM 0 HG11 VAL 1 63 5.648 -3.033 -7.988 1.00 0.00 H new ATOM 0 HG12 VAL 1 63 4.753 -3.722 -9.364 1.00 0.00 H new ATOM 0 HG13 VAL 1 63 3.926 -3.445 -7.813 1.00 0.00 H new ATOM 0 HG21 VAL 1 63 6.253 -4.414 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL 1 63 4.565 -4.911 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL 1 63 5.831 -6.142 -6.030 1.00 0.00 H new ATOM 1000 N THR 1 64 5.446 -7.887 -9.382 1.00 0.00 N ATOM 1001 CA THR 1 64 6.118 -9.178 -9.498 1.00 0.00 C ATOM 1002 C THR 1 64 7.512 -9.063 -8.908 1.00 0.00 C ATOM 1003 O THR 1 64 8.013 -7.952 -8.754 1.00 0.00 O ATOM 1004 CB THR 1 64 6.184 -9.661 -10.955 1.00 0.00 C ATOM 1005 OG1 THR 1 64 7.323 -9.145 -11.625 1.00 0.00 O ATOM 1006 CG2 THR 1 64 4.960 -9.298 -11.772 1.00 0.00 C ATOM 0 H THR 1 64 5.498 -7.300 -10.214 1.00 0.00 H new ATOM 0 HA THR 1 64 5.542 -9.920 -8.946 1.00 0.00 H new ATOM 0 HB THR 1 64 6.240 -10.747 -10.880 1.00 0.00 H new ATOM 0 HG1 THR 1 64 7.336 -9.473 -12.549 1.00 0.00 H new ATOM 0 HG21 THR 1 64 5.078 -9.671 -12.789 1.00 0.00 H new ATOM 0 HG22 THR 1 64 4.075 -9.747 -11.321 1.00 0.00 H new ATOM 0 HG23 THR 1 64 4.846 -8.214 -11.794 1.00 0.00 H new ATOM 1014 N SER 1 65 8.120 -10.207 -8.578 1.00 0.00 N ATOM 1015 CA SER 1 65 9.455 -10.252 -7.969 1.00 0.00 C ATOM 1016 C SER 1 65 10.397 -9.194 -8.541 1.00 0.00 C ATOM 1017 O SER 1 65 11.222 -8.637 -7.818 1.00 0.00 O ATOM 1018 CB SER 1 65 10.070 -11.640 -8.159 1.00 0.00 C ATOM 1019 OG SER 1 65 11.256 -11.782 -7.395 1.00 0.00 O ATOM 0 H SER 1 65 7.703 -11.126 -8.725 1.00 0.00 H new ATOM 0 HA SER 1 65 9.328 -10.038 -6.908 1.00 0.00 H new ATOM 0 HB2 SER 1 65 9.350 -12.404 -7.864 1.00 0.00 H new ATOM 0 HB3 SER 1 65 10.292 -11.802 -9.214 1.00 0.00 H new ATOM 0 HG SER 1 65 11.629 -12.678 -7.533 1.00 0.00 H new ATOM 1173 N GLN 1 76 -3.278 -10.889 -4.733 1.00 0.00 N ATOM 1174 CA GLN 1 76 -3.350 -12.215 -4.144 1.00 0.00 C ATOM 1175 C GLN 1 76 -2.186 -12.407 -3.181 1.00 0.00 C ATOM 1176 O GLN 1 76 -1.040 -12.100 -3.509 1.00 0.00 O ATOM 1177 CB GLN 1 76 -3.303 -13.301 -5.228 1.00 0.00 C ATOM 1178 CG GLN 1 76 -4.211 -13.038 -6.422 1.00 0.00 C ATOM 1179 CD GLN 1 76 -3.725 -13.722 -7.685 1.00 0.00 C ATOM 1180 OE1 GLN 1 76 -3.625 -13.098 -8.742 1.00 0.00 O ATOM 1181 NE2 GLN 1 76 -3.419 -15.010 -7.583 1.00 0.00 N ATOM 0 HA GLN 1 76 -4.295 -12.304 -3.608 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 -2.277 -13.399 -5.582 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 -3.579 -14.256 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 -5.219 -13.383 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 -4.274 -11.964 -6.596 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 -3.517 -15.488 -6.687 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 -3.086 -15.521 -8.400 1.00 0.00 H new ATOM 1190 N LYS 1 77 -2.485 -12.910 -1.996 1.00 0.00 N ATOM 1191 CA LYS 1 77 -1.458 -13.132 -0.979 1.00 0.00 C ATOM 1192 C LYS 1 77 -0.583 -14.333 -1.266 1.00 0.00 C ATOM 1193 O LYS 1 77 -1.007 -15.298 -1.903 1.00 0.00 O ATOM 1194 CB LYS 1 77 -2.046 -13.281 0.411 1.00 0.00 C ATOM 1195 CG LYS 1 77 -2.594 -14.669 0.715 1.00 0.00 C ATOM 1196 CD LYS 1 77 -3.856 -14.970 -0.081 1.00 0.00 C ATOM 1197 CE LYS 1 77 -4.603 -16.168 0.485 1.00 0.00 C ATOM 1198 NZ LYS 1 77 -6.081 -15.987 0.413 1.00 0.00 N ATOM 0 H LYS 1 77 -3.428 -13.174 -1.709 1.00 0.00 H new ATOM 0 HA LYS 1 77 -0.838 -12.236 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 -1.278 -13.038 1.145 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 -2.847 -12.552 0.534 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 -1.834 -15.417 0.487 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 -2.810 -14.748 1.780 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 -4.509 -14.097 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 -3.593 -15.163 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 -4.320 -17.065 -0.065 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 -4.307 -16.324 1.522 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 -6.553 -16.825 0.809 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 -6.355 -15.145 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 -6.368 -15.864 -0.579 1.00 0.00 H new ATOM 1212 N GLY 1 78 0.648 -14.258 -0.779 1.00 0.00 N ATOM 1213 CA GLY 1 78 1.583 -15.332 -0.971 1.00 0.00 C ATOM 1214 C GLY 1 78 2.731 -14.903 -1.833 1.00 0.00 C ATOM 1215 O GLY 1 78 3.437 -15.741 -2.396 1.00 0.00 O ATOM 0 H GLY 1 78 1.011 -13.464 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY 1 78 1.957 -15.669 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY 1 78 1.077 -16.181 -1.431 1.00 0.00 H new ATOM 1219 N GLY 1 79 2.921 -13.591 -1.960 1.00 0.00 N ATOM 1220 CA GLY 1 79 4.001 -13.124 -2.792 1.00 0.00 C ATOM 1221 C GLY 1 79 4.572 -11.785 -2.391 1.00 0.00 C ATOM 1222 O GLY 1 79 5.256 -11.663 -1.376 1.00 0.00 O ATOM 0 H GLY 1 79 2.360 -12.866 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY 1 79 4.801 -13.864 -2.776 1.00 0.00 H new ATOM 0 HA3 GLY 1 79 3.647 -13.060 -3.821 1.00 0.00 H new ATOM 1226 N TYR 1 80 4.301 -10.791 -3.220 1.00 0.00 N ATOM 1227 CA TYR 1 80 4.785 -9.442 -3.010 1.00 0.00 C ATOM 1228 C TYR 1 80 3.828 -8.446 -3.638 1.00 0.00 C ATOM 1229 O TYR 1 80 3.064 -8.795 -4.538 1.00 0.00 O ATOM 1230 CB TYR 1 80 6.178 -9.263 -3.633 1.00 0.00 C ATOM 1231 CG TYR 1 80 6.957 -10.548 -3.820 1.00 0.00 C ATOM 1232 CD1 TYR 1 80 6.673 -11.409 -4.875 1.00 0.00 C ATOM 1233 CD2 TYR 1 80 7.984 -10.894 -2.949 1.00 0.00 C ATOM 1234 CE1 TYR 1 80 7.388 -12.579 -5.053 1.00 0.00 C ATOM 1235 CE2 TYR 1 80 8.703 -12.062 -3.121 1.00 0.00 C ATOM 1236 CZ TYR 1 80 8.403 -12.901 -4.174 1.00 0.00 C ATOM 1237 OH TYR 1 80 9.122 -14.064 -4.346 1.00 0.00 O ATOM 0 H TYR 1 80 3.736 -10.901 -4.062 1.00 0.00 H new ATOM 0 HA TYR 1 80 4.850 -9.266 -1.936 1.00 0.00 H new ATOM 0 HB2 TYR 1 80 6.068 -8.776 -4.602 1.00 0.00 H new ATOM 0 HB3 TYR 1 80 6.759 -8.590 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR 1 80 5.881 -11.160 -5.566 1.00 0.00 H new ATOM 0 HD2 TYR 1 80 8.224 -10.239 -2.124 1.00 0.00 H new ATOM 0 HE1 TYR 1 80 7.154 -13.238 -5.876 1.00 0.00 H new ATOM 0 HE2 TYR 1 80 9.496 -12.317 -2.434 1.00 0.00 H new ATOM 0 HH TYR 1 80 9.799 -14.137 -3.641 1.00 0.00 H new ATOM 1247 N PHE 1 81 3.900 -7.202 -3.206 1.00 0.00 N ATOM 1248 CA PHE 1 81 3.059 -6.166 -3.789 1.00 0.00 C ATOM 1249 C PHE 1 81 3.677 -4.815 -3.625 1.00 0.00 C ATOM 1250 O PHE 1 81 4.680 -4.641 -2.958 1.00 0.00 O ATOM 1251 CB PHE 1 81 1.659 -6.125 -3.197 1.00 0.00 C ATOM 1252 CG PHE 1 81 1.644 -6.018 -1.714 1.00 0.00 C ATOM 1253 CD1 PHE 1 81 2.184 -7.027 -0.944 1.00 0.00 C ATOM 1254 CD2 PHE 1 81 1.069 -4.919 -1.088 1.00 0.00 C ATOM 1255 CE1 PHE 1 81 2.155 -6.947 0.434 1.00 0.00 C ATOM 1256 CE2 PHE 1 81 1.030 -4.835 0.278 1.00 0.00 C ATOM 1257 CZ PHE 1 81 1.573 -5.849 1.047 1.00 0.00 C ATOM 0 H PHE 1 81 4.522 -6.883 -2.463 1.00 0.00 H new ATOM 0 HA PHE 1 81 2.976 -6.424 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 1.119 -5.278 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 1.121 -7.026 -3.494 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 2.632 -7.885 -1.422 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 0.649 -4.123 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 2.584 -7.737 1.032 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 0.576 -3.979 0.755 1.00 0.00 H new ATOM 0 HZ PHE 1 81 1.543 -5.785 2.125 1.00 0.00 H new ATOM 1267 N VAL 1 82 3.063 -3.852 -4.234 1.00 0.00 N ATOM 1268 CA VAL 1 82 3.551 -2.508 -4.142 1.00 0.00 C ATOM 1269 C VAL 1 82 2.382 -1.584 -3.934 1.00 0.00 C ATOM 1270 O VAL 1 82 1.437 -1.596 -4.703 1.00 0.00 O ATOM 1271 CB VAL 1 82 4.358 -2.149 -5.411 1.00 0.00 C ATOM 1272 CG1 VAL 1 82 4.088 -0.727 -5.903 1.00 0.00 C ATOM 1273 CG2 VAL 1 82 5.842 -2.343 -5.145 1.00 0.00 C ATOM 0 H VAL 1 82 2.223 -3.968 -4.801 1.00 0.00 H new ATOM 0 HA VAL 1 82 4.228 -2.404 -3.294 1.00 0.00 H new ATOM 0 HB VAL 1 82 4.031 -2.821 -6.205 1.00 0.00 H new ATOM 0 HG11 VAL 1 82 4.682 -0.532 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL 1 82 3.030 -0.619 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL 1 82 4.360 -0.015 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL 1 82 6.408 -2.089 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL 1 82 6.152 -1.696 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL 1 82 6.031 -3.383 -4.879 1.00 0.00 H new ATOM 1283 N ILE 1 83 2.448 -0.790 -2.890 1.00 0.00 N ATOM 1284 CA ILE 1 83 1.375 0.127 -2.587 1.00 0.00 C ATOM 1285 C ILE 1 83 1.398 1.288 -3.538 1.00 0.00 C ATOM 1286 O ILE 1 83 2.303 2.123 -3.489 1.00 0.00 O ATOM 1287 CB ILE 1 83 1.496 0.687 -1.170 1.00 0.00 C ATOM 1288 CG1 ILE 1 83 1.285 -0.392 -0.098 1.00 0.00 C ATOM 1289 CG2 ILE 1 83 0.527 1.845 -0.958 1.00 0.00 C ATOM 1290 CD1 ILE 1 83 1.594 -1.806 -0.538 1.00 0.00 C ATOM 0 H ILE 1 83 3.232 -0.761 -2.238 1.00 0.00 H new ATOM 0 HA ILE 1 83 0.445 -0.433 -2.680 1.00 0.00 H new ATOM 0 HB ILE 1 83 2.515 1.057 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE 1 83 1.908 -0.152 0.764 1.00 0.00 H new ATOM 0 HG13 ILE 1 83 0.249 -0.351 0.237 1.00 0.00 H new ATOM 0 HG21 ILE 1 83 0.632 2.226 0.058 1.00 0.00 H new ATOM 0 HG22 ILE 1 83 0.750 2.641 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE 1 83 -0.495 1.497 -1.111 1.00 0.00 H new ATOM 0 HD11 ILE 1 83 1.414 -2.492 0.289 1.00 0.00 H new ATOM 0 HD12 ILE 1 83 0.953 -2.074 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE 1 83 2.638 -1.872 -0.843 1.00 0.00 H new ATOM 1302 N ASN 1 84 0.401 1.361 -4.389 1.00 0.00 N ATOM 1303 CA ASN 1 84 0.330 2.454 -5.321 1.00 0.00 C ATOM 1304 C ASN 1 84 0.409 3.774 -4.549 1.00 0.00 C ATOM 1305 O ASN 1 84 -0.488 4.096 -3.771 1.00 0.00 O ATOM 1306 CB ASN 1 84 -0.967 2.384 -6.109 1.00 0.00 C ATOM 1307 CG ASN 1 84 -0.753 2.548 -7.604 1.00 0.00 C ATOM 1308 OD1 ASN 1 84 -1.418 1.720 -8.394 1.00 0.00 O flip ATOM 1309 ND2 ASN 1 84 0.003 3.417 -8.041 1.00 0.00 N flip ATOM 0 H ASN 1 84 -0.360 0.685 -4.453 1.00 0.00 H new ATOM 0 HA ASN 1 84 1.163 2.392 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN 1 84 -1.452 1.427 -5.918 1.00 0.00 H new ATOM 0 HB3 ASN 1 84 -1.645 3.161 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN 1 84 0.497 4.035 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN 1 84 0.135 3.519 -9.047 1.00 0.00 H new ATOM 1316 N PRO 1 85 1.478 4.558 -4.759 1.00 0.00 N ATOM 1317 CA PRO 1 85 1.671 5.855 -4.085 1.00 0.00 C ATOM 1318 C PRO 1 85 0.674 6.864 -4.570 1.00 0.00 C ATOM 1319 O PRO 1 85 0.293 7.801 -3.869 1.00 0.00 O ATOM 1320 CB PRO 1 85 3.064 6.265 -4.540 1.00 0.00 C ATOM 1321 CG PRO 1 85 3.146 5.650 -5.884 1.00 0.00 C ATOM 1322 CD PRO 1 85 2.579 4.280 -5.692 1.00 0.00 C ATOM 0 HA PRO 1 85 1.551 5.792 -3.003 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 3.177 7.348 -4.580 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 3.838 5.888 -3.872 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 2.575 6.219 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 4.175 5.609 -6.242 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 2.227 3.845 -6.627 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 3.309 3.587 -5.273 1.00 0.00 H new ATOM 1330 N ASN 1 86 0.266 6.658 -5.791 1.00 0.00 N ATOM 1331 CA ASN 1 86 -0.688 7.529 -6.418 1.00 0.00 C ATOM 1332 C ASN 1 86 -2.070 7.286 -5.844 1.00 0.00 C ATOM 1333 O ASN 1 86 -2.886 8.202 -5.741 1.00 0.00 O ATOM 1334 CB ASN 1 86 -0.673 7.350 -7.929 1.00 0.00 C ATOM 1335 CG ASN 1 86 0.059 8.473 -8.634 1.00 0.00 C ATOM 1336 OD1 ASN 1 86 -0.550 9.295 -9.317 1.00 0.00 O ATOM 1337 ND2 ASN 1 86 1.377 8.514 -8.467 1.00 0.00 N ATOM 0 H ASN 1 86 0.583 5.886 -6.377 1.00 0.00 H new ATOM 0 HA ASN 1 86 -0.411 8.562 -6.210 1.00 0.00 H new ATOM 0 HB2 ASN 1 86 -0.199 6.400 -8.175 1.00 0.00 H new ATOM 0 HB3 ASN 1 86 -1.698 7.300 -8.297 1.00 0.00 H new ATOM 0 HD21 ASN 1 86 1.925 9.249 -8.914 1.00 0.00 H new ATOM 0 HD22 ASN 1 86 1.840 7.811 -7.891 1.00 0.00 H new ATOM 1344 N ASN 1 87 -2.297 6.061 -5.402 1.00 0.00 N ATOM 1345 CA ASN 1 87 -3.525 5.708 -4.757 1.00 0.00 C ATOM 1346 C ASN 1 87 -3.420 6.121 -3.319 1.00 0.00 C ATOM 1347 O ASN 1 87 -4.345 5.948 -2.533 1.00 0.00 O ATOM 1348 CB ASN 1 87 -3.665 4.234 -4.773 1.00 0.00 C ATOM 1349 CG ASN 1 87 -4.890 3.743 -5.489 1.00 0.00 C ATOM 1350 OD1 ASN 1 87 -5.808 4.501 -5.803 1.00 0.00 O ATOM 1351 ND2 ASN 1 87 -4.886 2.456 -5.754 1.00 0.00 N ATOM 0 H ASN 1 87 -1.630 5.294 -5.485 1.00 0.00 H new ATOM 0 HA ASN 1 87 -4.366 6.186 -5.259 1.00 0.00 H new ATOM 0 HB2 ASN 1 87 -2.783 3.801 -5.245 1.00 0.00 H new ATOM 0 HB3 ASN 1 87 -3.687 3.871 -3.746 1.00 0.00 H new ATOM 0 HD21 ASN 1 87 -5.674 2.034 -6.246 1.00 0.00 H new ATOM 0 HD22 ASN 1 87 -4.095 1.879 -5.468 1.00 0.00 H new ATOM 1358 N VAL 1 88 -2.244 6.621 -2.980 1.00 0.00 N ATOM 1359 CA VAL 1 88 -1.926 7.026 -1.687 1.00 0.00 C ATOM 1360 C VAL 1 88 -2.109 8.493 -1.497 1.00 0.00 C ATOM 1361 O VAL 1 88 -1.661 9.333 -2.278 1.00 0.00 O ATOM 1362 CB VAL 1 88 -0.500 6.684 -1.378 1.00 0.00 C ATOM 1363 CG1 VAL 1 88 -0.085 7.421 -0.134 1.00 0.00 C ATOM 1364 CG2 VAL 1 88 -0.403 5.199 -1.208 1.00 0.00 C ATOM 0 H VAL 1 88 -1.481 6.747 -3.645 1.00 0.00 H new ATOM 0 HA VAL 1 88 -2.604 6.501 -1.014 1.00 0.00 H new ATOM 0 HB VAL 1 88 0.170 6.984 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL 1 88 0.952 7.181 0.102 1.00 0.00 H new ATOM 0 HG12 VAL 1 88 -0.181 8.494 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL 1 88 -0.725 7.123 0.696 1.00 0.00 H new ATOM 0 HG21 VAL 1 88 0.628 4.925 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL 1 88 -1.050 4.883 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL 1 88 -0.716 4.706 -2.129 1.00 0.00 H new ATOM 1374 N LYS 1 89 -2.756 8.753 -0.420 1.00 0.00 N ATOM 1375 CA LYS 1 89 -3.039 10.085 0.006 1.00 0.00 C ATOM 1376 C LYS 1 89 -1.853 10.588 0.769 1.00 0.00 C ATOM 1377 O LYS 1 89 -1.391 11.715 0.588 1.00 0.00 O ATOM 1378 CB LYS 1 89 -4.253 10.114 0.915 1.00 0.00 C ATOM 1379 CG LYS 1 89 -5.534 9.563 0.312 1.00 0.00 C ATOM 1380 CD LYS 1 89 -5.347 8.249 -0.417 1.00 0.00 C ATOM 1381 CE LYS 1 89 -4.818 8.439 -1.821 1.00 0.00 C ATOM 1382 NZ LYS 1 89 -5.881 8.309 -2.852 1.00 0.00 N ATOM 0 H LYS 1 89 -3.114 8.033 0.208 1.00 0.00 H new ATOM 0 HA LYS 1 89 -3.243 10.707 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -4.023 9.547 1.817 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.431 11.145 1.223 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.269 9.427 1.105 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -5.944 10.298 -0.381 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.658 7.619 0.146 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.300 7.721 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -4.356 9.423 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -4.037 7.704 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -5.737 9.026 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.839 7.361 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -6.812 8.449 -2.410 1.00 0.00 H new ATOM 1396 N SER 1 90 -1.371 9.714 1.633 1.00 0.00 N ATOM 1397 CA SER 1 90 -0.212 10.041 2.475 1.00 0.00 C ATOM 1398 C SER 1 90 0.112 8.944 3.486 1.00 0.00 C ATOM 1399 O SER 1 90 -0.661 8.016 3.675 1.00 0.00 O ATOM 1400 CB SER 1 90 -0.458 11.356 3.224 1.00 0.00 C ATOM 1401 OG SER 1 90 -0.863 11.121 4.563 1.00 0.00 O ATOM 0 H SER 1 90 -1.752 8.779 1.777 1.00 0.00 H new ATOM 0 HA SER 1 90 0.642 10.138 1.805 1.00 0.00 H new ATOM 0 HB2 SER 1 90 0.452 11.956 3.218 1.00 0.00 H new ATOM 0 HB3 SER 1 90 -1.224 11.933 2.707 1.00 0.00 H new ATOM 0 HG SER 1 90 -1.011 11.978 5.015 1.00 0.00 H new ATOM 1407 N VAL 1 91 1.236 9.113 4.182 1.00 0.00 N ATOM 1408 CA VAL 1 91 1.651 8.212 5.230 1.00 0.00 C ATOM 1409 C VAL 1 91 1.445 8.918 6.571 1.00 0.00 C ATOM 1410 O VAL 1 91 2.017 9.978 6.826 1.00 0.00 O ATOM 1411 CB VAL 1 91 3.117 7.775 5.073 1.00 0.00 C ATOM 1412 CG1 VAL 1 91 3.170 6.356 4.540 1.00 0.00 C ATOM 1413 CG2 VAL 1 91 3.894 8.719 4.165 1.00 0.00 C ATOM 0 H VAL 1 91 1.881 9.887 4.025 1.00 0.00 H new ATOM 0 HA VAL 1 91 1.050 7.304 5.175 1.00 0.00 H new ATOM 0 HB VAL 1 91 3.591 7.812 6.054 1.00 0.00 H new ATOM 0 HG11 VAL 1 91 4.210 6.048 4.429 1.00 0.00 H new ATOM 0 HG12 VAL 1 91 2.665 5.687 5.237 1.00 0.00 H new ATOM 0 HG13 VAL 1 91 2.673 6.313 3.571 1.00 0.00 H new ATOM 0 HG21 VAL 1 91 4.925 8.376 4.080 1.00 0.00 H new ATOM 0 HG22 VAL 1 91 3.434 8.734 3.177 1.00 0.00 H new ATOM 0 HG23 VAL 1 91 3.880 9.724 4.587 1.00 0.00 H new ATOM 1423 N GLY 1 92 0.570 8.353 7.386 1.00 0.00 N ATOM 1424 CA GLY 1 92 0.207 8.927 8.649 1.00 0.00 C ATOM 1425 C GLY 1 92 1.058 8.496 9.812 1.00 0.00 C ATOM 1426 O GLY 1 92 1.998 7.711 9.689 1.00 0.00 O ATOM 0 H GLY 1 92 0.093 7.475 7.178 1.00 0.00 H new ATOM 0 HA2 GLY 1 92 0.256 10.013 8.565 1.00 0.00 H new ATOM 0 HA3 GLY 1 92 -0.831 8.670 8.863 1.00 0.00 H new ATOM 1430 N THR 1 93 0.690 9.054 10.940 1.00 0.00 N ATOM 1431 CA THR 1 93 1.327 8.830 12.218 1.00 0.00 C ATOM 1432 C THR 1 93 1.235 7.388 12.648 1.00 0.00 C ATOM 1433 O THR 1 93 0.222 6.710 12.476 1.00 0.00 O ATOM 1434 CB THR 1 93 0.653 9.739 13.234 1.00 0.00 C ATOM 1435 OG1 THR 1 93 0.094 10.873 12.590 1.00 0.00 O ATOM 1436 CG2 THR 1 93 1.584 10.242 14.298 1.00 0.00 C ATOM 0 H THR 1 93 -0.094 9.704 10.996 1.00 0.00 H new ATOM 0 HA THR 1 93 2.390 9.059 12.140 1.00 0.00 H new ATOM 0 HB THR 1 93 -0.113 9.125 13.707 1.00 0.00 H new ATOM 0 HG1 THR 1 93 -0.338 11.448 13.256 1.00 0.00 H new ATOM 0 HG21 THR 1 93 1.036 10.884 14.988 1.00 0.00 H new ATOM 0 HG22 THR 1 93 2.003 9.397 14.844 1.00 0.00 H new ATOM 0 HG23 THR 1 93 2.391 10.811 13.836 1.00 0.00 H new ATOM 1444 N PRO 1 94 2.346 6.921 13.197 1.00 0.00 N ATOM 1445 CA PRO 1 94 2.519 5.558 13.673 1.00 0.00 C ATOM 1446 C PRO 1 94 1.937 5.309 15.058 1.00 0.00 C ATOM 1447 O PRO 1 94 1.747 6.229 15.853 1.00 0.00 O ATOM 1448 CB PRO 1 94 4.023 5.447 13.685 1.00 0.00 C ATOM 1449 CG PRO 1 94 4.440 6.784 14.145 1.00 0.00 C ATOM 1450 CD PRO 1 94 3.571 7.717 13.390 1.00 0.00 C ATOM 0 HA PRO 1 94 2.000 4.825 13.055 1.00 0.00 H new ATOM 0 HB2 PRO 1 94 4.366 4.661 14.358 1.00 0.00 H new ATOM 0 HB3 PRO 1 94 4.420 5.216 12.697 1.00 0.00 H new ATOM 0 HG2 PRO 1 94 4.304 6.895 15.221 1.00 0.00 H new ATOM 0 HG3 PRO 1 94 5.494 6.966 13.937 1.00 0.00 H new ATOM 0 HD2 PRO 1 94 3.377 8.633 13.948 1.00 0.00 H new ATOM 0 HD3 PRO 1 94 4.018 8.011 12.441 1.00 0.00 H new ATOM 1458 N MET 1 95 1.673 4.042 15.324 1.00 0.00 N ATOM 1459 CA MET 1 95 1.120 3.601 16.600 1.00 0.00 C ATOM 1460 C MET 1 95 1.598 2.195 16.938 1.00 0.00 C ATOM 1461 O MET 1 95 1.583 1.309 16.083 1.00 0.00 O ATOM 1462 CB MET 1 95 -0.409 3.623 16.560 1.00 0.00 C ATOM 1463 CG MET 1 95 -0.998 5.020 16.492 1.00 0.00 C ATOM 1464 SD MET 1 95 -2.794 5.020 16.649 1.00 0.00 S ATOM 1465 CE MET 1 95 -3.031 6.348 17.826 1.00 0.00 C ATOM 0 H MET 1 95 1.835 3.284 14.661 1.00 0.00 H new ATOM 0 HA MET 1 95 1.468 4.289 17.370 1.00 0.00 H new ATOM 0 HB2 MET 1 95 -0.749 3.053 15.696 1.00 0.00 H new ATOM 0 HB3 MET 1 95 -0.794 3.119 17.446 1.00 0.00 H new ATOM 0 HG2 MET 1 95 -0.567 5.631 17.285 1.00 0.00 H new ATOM 0 HG3 MET 1 95 -0.719 5.483 15.545 1.00 0.00 H new ATOM 0 HE1 MET 1 95 -4.095 6.471 18.026 1.00 0.00 H new ATOM 0 HE2 MET 1 95 -2.512 6.108 18.754 1.00 0.00 H new ATOM 0 HE3 MET 1 95 -2.630 7.274 17.415 1.00 0.00 H new ATOM 1475 N LYS 1 96 1.994 1.978 18.184 1.00 0.00 N ATOM 1476 CA LYS 1 96 2.446 0.658 18.609 1.00 0.00 C ATOM 1477 C LYS 1 96 1.260 -0.193 19.045 1.00 0.00 C ATOM 1478 O LYS 1 96 0.498 0.208 19.925 1.00 0.00 O ATOM 1479 CB LYS 1 96 3.455 0.774 19.755 1.00 0.00 C ATOM 1480 CG LYS 1 96 4.762 1.447 19.360 1.00 0.00 C ATOM 1481 CD LYS 1 96 5.968 0.662 19.854 1.00 0.00 C ATOM 1482 CE LYS 1 96 7.139 1.578 20.173 1.00 0.00 C ATOM 1483 NZ LYS 1 96 7.970 1.052 21.293 1.00 0.00 N ATOM 0 H LYS 1 96 2.012 2.691 18.914 1.00 0.00 H new ATOM 0 HA LYS 1 96 2.935 0.177 17.762 1.00 0.00 H new ATOM 0 HB2 LYS 1 96 3.000 1.336 20.571 1.00 0.00 H new ATOM 0 HB3 LYS 1 96 3.672 -0.223 20.137 1.00 0.00 H new ATOM 0 HG2 LYS 1 96 4.809 1.543 18.275 1.00 0.00 H new ATOM 0 HG3 LYS 1 96 4.791 2.456 19.771 1.00 0.00 H new ATOM 0 HD2 LYS 1 96 5.695 0.096 20.745 1.00 0.00 H new ATOM 0 HD3 LYS 1 96 6.267 -0.062 19.096 1.00 0.00 H new ATOM 0 HE2 LYS 1 96 7.760 1.695 19.285 1.00 0.00 H new ATOM 0 HE3 LYS 1 96 6.765 2.568 20.433 1.00 0.00 H new ATOM 0 HZ1 LYS 1 96 8.757 1.706 21.478 1.00 0.00 H new ATOM 0 HZ2 LYS 1 96 7.385 0.964 22.148 1.00 0.00 H new ATOM 0 HZ3 LYS 1 96 8.349 0.118 21.035 1.00 0.00 H new ATOM 1497 N GLY 1 97 1.093 -1.364 18.429 1.00 0.00 N ATOM 1498 CA GLY 1 97 -0.022 -2.214 18.800 1.00 0.00 C ATOM 1499 C GLY 1 97 0.010 -3.583 18.157 1.00 0.00 C ATOM 1500 O GLY 1 97 -0.094 -4.594 18.851 1.00 0.00 O ATOM 0 H GLY 1 97 1.698 -1.731 17.695 1.00 0.00 H new ATOM 0 HA2 GLY 1 97 -0.031 -2.332 19.884 1.00 0.00 H new ATOM 0 HA3 GLY 1 97 -0.952 -1.716 18.526 1.00 0.00 H new ATOM 1504 N SER 1 98 0.139 -3.626 16.835 1.00 0.00 N ATOM 1505 CA SER 1 98 0.170 -4.897 16.122 1.00 0.00 C ATOM 1506 C SER 1 98 1.412 -5.702 16.511 1.00 0.00 C ATOM 1507 O SER 1 98 2.323 -5.885 15.706 1.00 0.00 O ATOM 1508 CB SER 1 98 0.152 -4.660 14.608 1.00 0.00 C ATOM 1509 OG SER 1 98 -1.169 -4.707 14.098 1.00 0.00 O ATOM 0 H SER 1 98 0.223 -2.802 16.240 1.00 0.00 H new ATOM 0 HA SER 1 98 -0.716 -5.467 16.400 1.00 0.00 H new ATOM 0 HB2 SER 1 98 0.597 -3.691 14.384 1.00 0.00 H new ATOM 0 HB3 SER 1 98 0.763 -5.414 14.112 1.00 0.00 H new ATOM 0 HG SER 1 98 -1.458 -5.641 14.023 1.00 0.00 H new ATOM 1515 N GLY 1 99 1.442 -6.184 17.751 1.00 0.00 N ATOM 1516 CA GLY 1 99 2.574 -6.965 18.222 1.00 0.00 C ATOM 1517 C GLY 1 99 3.440 -6.218 19.225 1.00 0.00 C ATOM 1518 O GLY 1 99 3.763 -6.751 20.287 1.00 0.00 O ATOM 0 H GLY 1 99 0.702 -6.047 18.439 1.00 0.00 H new ATOM 0 HA2 GLY 1 99 2.208 -7.884 18.681 1.00 0.00 H new ATOM 0 HA3 GLY 1 99 3.186 -7.257 17.369 1.00 0.00 H new ATOM 1522 N GLY 1 100 3.823 -4.987 18.891 1.00 0.00 N ATOM 1523 CA GLY 1 100 4.654 -4.200 19.779 1.00 0.00 C ATOM 1524 C GLY 1 100 5.451 -3.127 19.052 1.00 0.00 C ATOM 1525 O GLY 1 100 5.971 -2.201 19.673 1.00 0.00 O ATOM 0 H GLY 1 100 3.570 -4.523 18.019 1.00 0.00 H new ATOM 0 HA2 GLY 1 100 4.025 -3.729 20.534 1.00 0.00 H new ATOM 0 HA3 GLY 1 100 5.342 -4.862 20.305 1.00 0.00 H new ATOM 1529 N LEU 1 101 5.547 -3.263 17.734 1.00 0.00 N ATOM 1530 CA LEU 1 101 6.267 -2.345 16.896 1.00 0.00 C ATOM 1531 C LEU 1 101 5.506 -1.062 16.678 1.00 0.00 C ATOM 1532 O LEU 1 101 4.687 -0.652 17.491 1.00 0.00 O ATOM 1533 CB LEU 1 101 6.476 -2.981 15.551 1.00 0.00 C ATOM 1534 CG LEU 1 101 6.630 -4.489 15.516 1.00 0.00 C ATOM 1535 CD1 LEU 1 101 5.296 -5.209 15.470 1.00 0.00 C ATOM 1536 CD2 LEU 1 101 7.382 -4.806 14.288 1.00 0.00 C ATOM 0 H LEU 1 101 5.115 -4.031 17.221 1.00 0.00 H new ATOM 0 HA LEU 1 101 7.210 -2.115 17.392 1.00 0.00 H new ATOM 0 HB2 LEU 1 101 5.632 -2.712 14.915 1.00 0.00 H new ATOM 0 HB3 LEU 1 101 7.366 -2.540 15.103 1.00 0.00 H new ATOM 0 HG LEU 1 101 7.138 -4.818 16.422 1.00 0.00 H new ATOM 0 HD11 LEU 1 101 5.464 -6.286 15.446 1.00 0.00 H new ATOM 0 HD12 LEU 1 101 4.713 -4.952 16.355 1.00 0.00 H new ATOM 0 HD13 LEU 1 101 4.750 -4.907 14.576 1.00 0.00 H new ATOM 0 HD21 LEU 1 101 7.521 -5.885 14.215 1.00 0.00 H new ATOM 0 HD22 LEU 1 101 6.827 -4.452 13.420 1.00 0.00 H new ATOM 0 HD23 LEU 1 101 8.355 -4.316 14.321 1.00 0.00 H new ATOM 1548 N SER 1 102 5.810 -0.453 15.550 1.00 0.00 N ATOM 1549 CA SER 1 102 5.195 0.772 15.122 1.00 0.00 C ATOM 1550 C SER 1 102 4.426 0.537 13.835 1.00 0.00 C ATOM 1551 O SER 1 102 4.997 0.148 12.820 1.00 0.00 O ATOM 1552 CB SER 1 102 6.254 1.828 14.933 1.00 0.00 C ATOM 1553 OG SER 1 102 6.447 2.588 16.117 1.00 0.00 O ATOM 0 H SER 1 102 6.507 -0.809 14.896 1.00 0.00 H new ATOM 0 HA SER 1 102 4.493 1.118 15.881 1.00 0.00 H new ATOM 0 HB2 SER 1 102 7.193 1.356 14.645 1.00 0.00 H new ATOM 0 HB3 SER 1 102 5.967 2.491 14.117 1.00 0.00 H new ATOM 0 HG SER 1 102 7.141 3.263 15.963 1.00 0.00 H new ATOM 1559 N TRP 1 103 3.135 0.755 13.905 1.00 0.00 N ATOM 1560 CA TRP 1 103 2.234 0.571 12.799 1.00 0.00 C ATOM 1561 C TRP 1 103 1.562 1.902 12.530 1.00 0.00 C ATOM 1562 O TRP 1 103 0.902 2.465 13.398 1.00 0.00 O ATOM 1563 CB TRP 1 103 1.253 -0.510 13.171 1.00 0.00 C ATOM 1564 CG TRP 1 103 1.984 -1.773 13.517 1.00 0.00 C ATOM 1565 CD1 TRP 1 103 2.968 -1.877 14.442 1.00 0.00 C ATOM 1566 CD2 TRP 1 103 1.852 -3.085 12.935 1.00 0.00 C ATOM 1567 NE1 TRP 1 103 3.486 -3.127 14.443 1.00 0.00 N ATOM 1568 CE2 TRP 1 103 2.813 -3.902 13.550 1.00 0.00 C ATOM 1569 CE3 TRP 1 103 1.031 -3.656 11.965 1.00 0.00 C ATOM 1570 CZ2 TRP 1 103 2.979 -5.246 13.223 1.00 0.00 C ATOM 1571 CZ3 TRP 1 103 1.195 -4.991 11.647 1.00 0.00 C ATOM 1572 CH2 TRP 1 103 2.165 -5.768 12.273 1.00 0.00 C ATOM 0 H TRP 1 103 2.672 1.074 14.756 1.00 0.00 H new ATOM 0 HA TRP 1 103 2.743 0.257 11.888 1.00 0.00 H new ATOM 0 HB2 TRP 1 103 0.648 -0.187 14.018 1.00 0.00 H new ATOM 0 HB3 TRP 1 103 0.569 -0.692 12.342 1.00 0.00 H new ATOM 0 HD1 TRP 1 103 3.293 -1.075 15.088 1.00 0.00 H new ATOM 0 HE1 TRP 1 103 4.263 -3.441 15.025 1.00 0.00 H new ATOM 0 HE3 TRP 1 103 0.277 -3.064 11.468 1.00 0.00 H new ATOM 0 HZ2 TRP 1 103 3.730 -5.851 13.709 1.00 0.00 H new ATOM 0 HZ3 TRP 1 103 0.558 -5.440 10.899 1.00 0.00 H new ATOM 0 HH2 TRP 1 103 2.271 -6.807 11.997 1.00 0.00 H new ATOM 1583 N ALA 1 104 1.804 2.426 11.354 1.00 0.00 N ATOM 1584 CA ALA 1 104 1.309 3.746 10.982 1.00 0.00 C ATOM 1585 C ALA 1 104 0.119 3.752 10.065 1.00 0.00 C ATOM 1586 O ALA 1 104 -0.056 2.887 9.210 1.00 0.00 O ATOM 1587 CB ALA 1 104 2.424 4.591 10.391 1.00 0.00 C ATOM 0 H ALA 1 104 2.345 1.960 10.626 1.00 0.00 H new ATOM 0 HA ALA 1 104 0.955 4.179 11.917 1.00 0.00 H new ATOM 0 HB1 ALA 1 104 2.033 5.572 10.120 1.00 0.00 H new ATOM 0 HB2 ALA 1 104 3.220 4.708 11.126 1.00 0.00 H new ATOM 0 HB3 ALA 1 104 2.820 4.100 9.502 1.00 0.00 H new ATOM 1593 N GLN 1 105 -0.689 4.780 10.281 1.00 0.00 N ATOM 1594 CA GLN 1 105 -1.882 5.007 9.532 1.00 0.00 C ATOM 1595 C GLN 1 105 -1.589 5.668 8.206 1.00 0.00 C ATOM 1596 O GLN 1 105 -1.384 6.868 8.165 1.00 0.00 O ATOM 1597 CB GLN 1 105 -2.797 5.921 10.315 1.00 0.00 C ATOM 1598 CG GLN 1 105 -4.228 5.705 9.951 1.00 0.00 C ATOM 1599 CD GLN 1 105 -5.204 6.356 10.908 1.00 0.00 C ATOM 1600 OE1 GLN 1 105 -4.848 7.276 11.644 1.00 0.00 O ATOM 1601 NE2 GLN 1 105 -6.443 5.880 10.903 1.00 0.00 N ATOM 0 H GLN 1 105 -0.516 5.484 10.999 1.00 0.00 H new ATOM 0 HA GLN 1 105 -2.348 4.038 9.351 1.00 0.00 H new ATOM 0 HB2 GLN 1 105 -2.662 5.746 11.382 1.00 0.00 H new ATOM 0 HB3 GLN 1 105 -2.525 6.959 10.125 1.00 0.00 H new ATOM 0 HG2 GLN 1 105 -4.401 6.095 8.948 1.00 0.00 H new ATOM 0 HG3 GLN 1 105 -4.427 4.634 9.916 1.00 0.00 H new ATOM 0 HE21 GLN 1 105 -6.693 5.116 10.275 1.00 0.00 H new ATOM 0 HE22 GLN 1 105 -7.145 6.278 11.527 1.00 0.00 H new ATOM 1610 N VAL 1 106 -1.606 4.920 7.118 1.00 0.00 N ATOM 1611 CA VAL 1 106 -1.362 5.500 5.834 1.00 0.00 C ATOM 1612 C VAL 1 106 -2.694 5.701 5.134 1.00 0.00 C ATOM 1613 O VAL 1 106 -3.577 4.847 5.197 1.00 0.00 O ATOM 1614 CB VAL 1 106 -0.378 4.632 5.038 1.00 0.00 C ATOM 1615 CG1 VAL 1 106 -0.332 5.044 3.590 1.00 0.00 C ATOM 1616 CG2 VAL 1 106 1.005 4.744 5.658 1.00 0.00 C ATOM 0 H VAL 1 106 -1.786 3.916 7.109 1.00 0.00 H new ATOM 0 HA VAL 1 106 -0.888 6.477 5.929 1.00 0.00 H new ATOM 0 HB VAL 1 106 -0.717 3.597 5.077 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 0.374 4.410 3.054 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 -1.323 4.937 3.150 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 -0.013 6.084 3.518 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 1.707 4.129 5.095 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 1.332 5.783 5.632 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 0.969 4.400 6.692 1.00 0.00 H new ATOM 1626 N ASN 1 107 -2.853 6.857 4.527 1.00 0.00 N ATOM 1627 CA ASN 1 107 -4.089 7.213 3.878 1.00 0.00 C ATOM 1628 C ASN 1 107 -4.096 6.780 2.431 1.00 0.00 C ATOM 1629 O ASN 1 107 -3.496 7.428 1.581 1.00 0.00 O ATOM 1630 CB ASN 1 107 -4.295 8.724 3.965 1.00 0.00 C ATOM 1631 CG ASN 1 107 -5.268 9.110 5.059 1.00 0.00 C ATOM 1632 OD1 ASN 1 107 -4.897 9.756 6.039 1.00 0.00 O ATOM 1633 ND2 ASN 1 107 -6.523 8.711 4.895 1.00 0.00 N ATOM 0 H ASN 1 107 -2.129 7.573 4.471 1.00 0.00 H new ATOM 0 HA ASN 1 107 -4.903 6.697 4.388 1.00 0.00 H new ATOM 0 HB2 ASN 1 107 -3.336 9.209 4.147 1.00 0.00 H new ATOM 0 HB3 ASN 1 107 -4.663 9.094 3.008 1.00 0.00 H new ATOM 0 HD21 ASN 1 107 -7.226 8.938 5.598 1.00 0.00 H new ATOM 0 HD22 ASN 1 107 -6.784 8.177 4.066 1.00 0.00 H new ATOM 1640 N PHE 1 108 -4.782 5.683 2.159 1.00 0.00 N ATOM 1641 CA PHE 1 108 -4.891 5.174 0.846 1.00 0.00 C ATOM 1642 C PHE 1 108 -6.207 5.565 0.193 1.00 0.00 C ATOM 1643 O PHE 1 108 -7.146 6.057 0.821 1.00 0.00 O ATOM 1644 CB PHE 1 108 -4.841 3.656 0.811 1.00 0.00 C ATOM 1645 CG PHE 1 108 -3.571 2.993 1.259 1.00 0.00 C ATOM 1646 CD1 PHE 1 108 -3.054 3.221 2.518 1.00 0.00 C ATOM 1647 CD2 PHE 1 108 -2.922 2.093 0.428 1.00 0.00 C ATOM 1648 CE1 PHE 1 108 -1.909 2.571 2.938 1.00 0.00 C ATOM 1649 CE2 PHE 1 108 -1.782 1.439 0.849 1.00 0.00 C ATOM 1650 CZ PHE 1 108 -1.274 1.680 2.105 1.00 0.00 C ATOM 0 H PHE 1 108 -5.274 5.133 2.863 1.00 0.00 H new ATOM 0 HA PHE 1 108 -4.043 5.602 0.311 1.00 0.00 H new ATOM 0 HB2 PHE 1 108 -5.654 3.279 1.431 1.00 0.00 H new ATOM 0 HB3 PHE 1 108 -5.045 3.336 -0.211 1.00 0.00 H new ATOM 0 HD1 PHE 1 108 -3.549 3.914 3.182 1.00 0.00 H new ATOM 0 HD2 PHE 1 108 -3.313 1.901 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE 1 108 -1.512 2.763 3.924 1.00 0.00 H new ATOM 0 HE2 PHE 1 108 -1.288 0.738 0.192 1.00 0.00 H new ATOM 0 HZ PHE 1 108 -0.380 1.171 2.435 1.00 0.00 H new ATOM 1660 N THR 1 109 -6.213 5.314 -1.089 1.00 0.00 N ATOM 1661 CA THR 1 109 -7.321 5.586 -2.003 1.00 0.00 C ATOM 1662 C THR 1 109 -8.698 5.038 -1.598 1.00 0.00 C ATOM 1663 O THR 1 109 -9.644 5.796 -1.382 1.00 0.00 O ATOM 1664 CB THR 1 109 -6.940 4.965 -3.326 1.00 0.00 C ATOM 1665 OG1 THR 1 109 -8.007 5.021 -4.257 1.00 0.00 O ATOM 1666 CG2 THR 1 109 -6.540 3.536 -3.137 1.00 0.00 C ATOM 0 H THR 1 109 -5.412 4.894 -1.560 1.00 0.00 H new ATOM 0 HA THR 1 109 -7.450 6.668 -2.018 1.00 0.00 H new ATOM 0 HB THR 1 109 -6.101 5.539 -3.719 1.00 0.00 H new ATOM 0 HG1 THR 1 109 -7.661 4.864 -5.160 1.00 0.00 H new ATOM 0 HG21 THR 1 109 -6.269 3.104 -4.100 1.00 0.00 H new ATOM 0 HG22 THR 1 109 -5.686 3.484 -2.462 1.00 0.00 H new ATOM 0 HG23 THR 1 109 -7.374 2.978 -2.711 1.00 0.00 H new ATOM 1674 N THR 1 110 -8.806 3.720 -1.565 1.00 0.00 N ATOM 1675 CA THR 1 110 -10.060 3.033 -1.268 1.00 0.00 C ATOM 1676 C THR 1 110 -10.292 2.842 0.221 1.00 0.00 C ATOM 1677 O THR 1 110 -11.322 3.246 0.759 1.00 0.00 O ATOM 1678 CB THR 1 110 -10.071 1.679 -1.969 1.00 0.00 C ATOM 1679 OG1 THR 1 110 -9.069 1.621 -2.970 1.00 0.00 O ATOM 1680 CG2 THR 1 110 -11.394 1.349 -2.627 1.00 0.00 C ATOM 0 H THR 1 110 -8.024 3.090 -1.744 1.00 0.00 H new ATOM 0 HA THR 1 110 -10.870 3.663 -1.636 1.00 0.00 H new ATOM 0 HB THR 1 110 -9.886 0.950 -1.180 1.00 0.00 H new ATOM 0 HG1 THR 1 110 -8.298 1.120 -2.632 1.00 0.00 H new ATOM 0 HG21 THR 1 110 -11.329 0.372 -3.106 1.00 0.00 H new ATOM 0 HG22 THR 1 110 -12.181 1.332 -1.873 1.00 0.00 H new ATOM 0 HG23 THR 1 110 -11.626 2.106 -3.377 1.00 0.00 H new ATOM 1688 N GLY 1 111 -9.336 2.206 0.873 1.00 0.00 N ATOM 1689 CA GLY 1 111 -9.453 1.945 2.280 1.00 0.00 C ATOM 1690 C GLY 1 111 -9.288 3.185 3.125 1.00 0.00 C ATOM 1691 O GLY 1 111 -9.476 3.133 4.340 1.00 0.00 O ATOM 0 H GLY 1 111 -8.475 1.865 0.445 1.00 0.00 H new ATOM 0 HA2 GLY 1 111 -10.428 1.501 2.482 1.00 0.00 H new ATOM 0 HA3 GLY 1 111 -8.702 1.211 2.572 1.00 0.00 H new ATOM 1695 N GLY 1 112 -8.912 4.303 2.500 1.00 0.00 N ATOM 1696 CA GLY 1 112 -8.710 5.505 3.252 1.00 0.00 C ATOM 1697 C GLY 1 112 -7.628 5.285 4.270 1.00 0.00 C ATOM 1698 O GLY 1 112 -6.461 5.425 3.975 1.00 0.00 O ATOM 0 H GLY 1 112 -8.749 4.384 1.496 1.00 0.00 H new ATOM 0 HA2 GLY 1 112 -8.435 6.322 2.585 1.00 0.00 H new ATOM 0 HA3 GLY 1 112 -9.636 5.796 3.748 1.00 0.00 H new ATOM 1702 N ASN 1 113 -7.999 4.880 5.456 1.00 0.00 N ATOM 1703 CA ASN 1 113 -7.015 4.584 6.459 1.00 0.00 C ATOM 1704 C ASN 1 113 -6.524 3.153 6.276 1.00 0.00 C ATOM 1705 O ASN 1 113 -7.320 2.221 6.166 1.00 0.00 O ATOM 1706 CB ASN 1 113 -7.594 4.794 7.854 1.00 0.00 C ATOM 1707 CG ASN 1 113 -9.026 4.314 7.973 1.00 0.00 C ATOM 1708 OD1 ASN 1 113 -9.907 5.045 8.426 1.00 0.00 O ATOM 1709 ND2 ASN 1 113 -9.258 3.074 7.566 1.00 0.00 N ATOM 0 H ASN 1 113 -8.967 4.749 5.748 1.00 0.00 H new ATOM 0 HA ASN 1 113 -6.169 5.262 6.349 1.00 0.00 H new ATOM 0 HB2 ASN 1 113 -6.977 4.267 8.582 1.00 0.00 H new ATOM 0 HB3 ASN 1 113 -7.549 5.854 8.106 1.00 0.00 H new ATOM 0 HD21 ASN 1 113 -10.200 2.687 7.621 1.00 0.00 H new ATOM 0 HD22 ASN 1 113 -8.494 2.507 7.198 1.00 0.00 H new ATOM 1716 N VAL 1 114 -5.219 2.985 6.249 1.00 0.00 N ATOM 1717 CA VAL 1 114 -4.615 1.679 6.097 1.00 0.00 C ATOM 1718 C VAL 1 114 -3.348 1.667 6.900 1.00 0.00 C ATOM 1719 O VAL 1 114 -2.442 2.451 6.632 1.00 0.00 O ATOM 1720 CB VAL 1 114 -4.286 1.354 4.638 1.00 0.00 C ATOM 1721 CG1 VAL 1 114 -4.048 -0.130 4.469 1.00 0.00 C ATOM 1722 CG2 VAL 1 114 -5.387 1.836 3.707 1.00 0.00 C ATOM 0 H VAL 1 114 -4.548 3.749 6.332 1.00 0.00 H new ATOM 0 HA VAL 1 114 -5.324 0.926 6.442 1.00 0.00 H new ATOM 0 HB VAL 1 114 -3.371 1.883 4.370 1.00 0.00 H new ATOM 0 HG11 VAL 1 114 -3.815 -0.345 3.426 1.00 0.00 H new ATOM 0 HG12 VAL 1 114 -3.213 -0.439 5.098 1.00 0.00 H new ATOM 0 HG13 VAL 1 114 -4.944 -0.678 4.761 1.00 0.00 H new ATOM 0 HG21 VAL 1 114 -5.126 1.591 2.677 1.00 0.00 H new ATOM 0 HG22 VAL 1 114 -6.325 1.347 3.969 1.00 0.00 H new ATOM 0 HG23 VAL 1 114 -5.500 2.916 3.806 1.00 0.00 H new ATOM 1732 N TRP 1 115 -3.275 0.821 7.895 1.00 0.00 N ATOM 1733 CA TRP 1 115 -2.095 0.802 8.726 1.00 0.00 C ATOM 1734 C TRP 1 115 -1.070 -0.195 8.263 1.00 0.00 C ATOM 1735 O TRP 1 115 -1.378 -1.176 7.587 1.00 0.00 O ATOM 1736 CB TRP 1 115 -2.454 0.566 10.173 1.00 0.00 C ATOM 1737 CG TRP 1 115 -3.262 1.648 10.718 1.00 0.00 C ATOM 1738 CD1 TRP 1 115 -4.545 1.933 10.405 1.00 0.00 C ATOM 1739 CD2 TRP 1 115 -2.835 2.618 11.647 1.00 0.00 C ATOM 1740 NE1 TRP 1 115 -4.956 2.995 11.127 1.00 0.00 N ATOM 1741 CE2 TRP 1 115 -3.920 3.444 11.888 1.00 0.00 C ATOM 1742 CE3 TRP 1 115 -1.638 2.855 12.307 1.00 0.00 C ATOM 1743 CZ2 TRP 1 115 -3.863 4.500 12.754 1.00 0.00 C ATOM 1744 CZ3 TRP 1 115 -1.570 3.921 13.182 1.00 0.00 C ATOM 1745 CH2 TRP 1 115 -2.685 4.737 13.399 1.00 0.00 C ATOM 0 H TRP 1 115 -4.000 0.149 8.148 1.00 0.00 H new ATOM 0 HA TRP 1 115 -1.639 1.788 8.635 1.00 0.00 H new ATOM 0 HB2 TRP 1 115 -2.999 -0.374 10.263 1.00 0.00 H new ATOM 0 HB3 TRP 1 115 -1.542 0.463 10.761 1.00 0.00 H new ATOM 0 HD1 TRP 1 115 -5.147 1.394 9.688 1.00 0.00 H new ATOM 0 HE1 TRP 1 115 -5.893 3.398 11.106 1.00 0.00 H new ATOM 0 HE3 TRP 1 115 -0.780 2.221 12.140 1.00 0.00 H new ATOM 0 HZ2 TRP 1 115 -4.725 5.128 12.922 1.00 0.00 H new ATOM 0 HZ3 TRP 1 115 -0.647 4.127 13.704 1.00 0.00 H new ATOM 0 HH2 TRP 1 115 -2.612 5.566 14.087 1.00 0.00 H new ATOM 1756 N LEU 1 116 0.160 0.088 8.631 1.00 0.00 N ATOM 1757 CA LEU 1 116 1.272 -0.740 8.270 1.00 0.00 C ATOM 1758 C LEU 1 116 2.348 -0.581 9.293 1.00 0.00 C ATOM 1759 O LEU 1 116 2.564 0.522 9.780 1.00 0.00 O ATOM 1760 CB LEU 1 116 1.821 -0.300 6.924 1.00 0.00 C ATOM 1761 CG LEU 1 116 2.096 -1.434 5.940 1.00 0.00 C ATOM 1762 CD1 LEU 1 116 0.966 -1.533 4.931 1.00 0.00 C ATOM 1763 CD2 LEU 1 116 3.427 -1.223 5.242 1.00 0.00 C ATOM 0 H LEU 1 116 0.410 0.903 9.191 1.00 0.00 H new ATOM 0 HA LEU 1 116 0.946 -1.779 8.216 1.00 0.00 H new ATOM 0 HB2 LEU 1 116 1.114 0.393 6.469 1.00 0.00 H new ATOM 0 HB3 LEU 1 116 2.747 0.251 7.088 1.00 0.00 H new ATOM 0 HG LEU 1 116 2.151 -2.373 6.491 1.00 0.00 H new ATOM 0 HD11 LEU 1 116 1.171 -2.345 4.233 1.00 0.00 H new ATOM 0 HD12 LEU 1 116 0.029 -1.731 5.452 1.00 0.00 H new ATOM 0 HD13 LEU 1 116 0.885 -0.595 4.382 1.00 0.00 H new ATOM 0 HD21 LEU 1 116 3.606 -2.041 4.544 1.00 0.00 H new ATOM 0 HD22 LEU 1 116 3.406 -0.279 4.697 1.00 0.00 H new ATOM 0 HD23 LEU 1 116 4.226 -1.197 5.983 1.00 0.00 H new ATOM 1775 N ASN 1 117 3.067 -1.637 9.595 1.00 0.00 N ATOM 1776 CA ASN 1 117 4.126 -1.471 10.550 1.00 0.00 C ATOM 1777 C ASN 1 117 5.129 -0.561 9.945 1.00 0.00 C ATOM 1778 O ASN 1 117 5.892 -0.870 9.032 1.00 0.00 O ATOM 1779 CB ASN 1 117 4.696 -2.744 11.051 1.00 0.00 C ATOM 1780 CG ASN 1 117 6.171 -2.691 11.406 1.00 0.00 C ATOM 1781 OD1 ASN 1 117 7.040 -2.772 10.539 1.00 0.00 O ATOM 1782 ND2 ASN 1 117 6.449 -2.566 12.701 1.00 0.00 N ATOM 0 H ASN 1 117 2.945 -2.575 9.213 1.00 0.00 H new ATOM 0 HA ASN 1 117 3.726 -1.024 11.460 1.00 0.00 H new ATOM 0 HB2 ASN 1 117 4.136 -3.053 11.934 1.00 0.00 H new ATOM 0 HB3 ASN 1 117 4.547 -3.514 10.294 1.00 0.00 H new ATOM 0 HD21 ASN 1 117 7.419 -2.534 13.013 1.00 0.00 H new ATOM 0 HD22 ASN 1 117 5.692 -2.503 13.381 1.00 0.00 H new ATOM 1789 N THR 1 118 4.974 0.600 10.454 1.00 0.00 N ATOM 1790 CA THR 1 118 5.682 1.781 10.053 1.00 0.00 C ATOM 1791 C THR 1 118 7.082 1.848 10.599 1.00 0.00 C ATOM 1792 O THR 1 118 7.707 2.909 10.583 1.00 0.00 O ATOM 1793 CB THR 1 118 4.868 2.957 10.513 1.00 0.00 C ATOM 1794 OG1 THR 1 118 5.220 4.141 9.818 1.00 0.00 O ATOM 1795 CG2 THR 1 118 5.000 3.211 11.992 1.00 0.00 C ATOM 0 H THR 1 118 4.312 0.776 11.209 1.00 0.00 H new ATOM 0 HA THR 1 118 5.802 1.777 8.970 1.00 0.00 H new ATOM 0 HB THR 1 118 3.833 2.696 10.294 1.00 0.00 H new ATOM 0 HG1 THR 1 118 6.196 4.223 9.785 1.00 0.00 H new ATOM 0 HG21 THR 1 118 4.391 4.072 12.269 1.00 0.00 H new ATOM 0 HG22 THR 1 118 4.661 2.334 12.543 1.00 0.00 H new ATOM 0 HG23 THR 1 118 6.043 3.412 12.235 1.00 0.00 H new ATOM 1803 N THR 1 119 7.583 0.729 11.075 1.00 0.00 N ATOM 1804 CA THR 1 119 8.944 0.712 11.597 1.00 0.00 C ATOM 1805 C THR 1 119 9.966 1.037 10.481 1.00 0.00 C ATOM 1806 O THR 1 119 11.148 0.715 10.602 1.00 0.00 O ATOM 1807 CB THR 1 119 9.267 -0.645 12.228 1.00 0.00 C ATOM 1808 OG1 THR 1 119 10.442 -0.560 13.014 1.00 0.00 O ATOM 1809 CG2 THR 1 119 9.477 -1.750 11.214 1.00 0.00 C ATOM 0 H THR 1 119 7.089 -0.162 11.114 1.00 0.00 H new ATOM 0 HA THR 1 119 9.016 1.480 12.367 1.00 0.00 H new ATOM 0 HB THR 1 119 8.396 -0.894 12.834 1.00 0.00 H new ATOM 0 HG1 THR 1 119 11.131 -0.069 12.520 1.00 0.00 H new ATOM 0 HG21 THR 1 119 9.702 -2.682 11.733 1.00 0.00 H new ATOM 0 HG22 THR 1 119 8.572 -1.875 10.619 1.00 0.00 H new ATOM 0 HG23 THR 1 119 10.308 -1.490 10.559 1.00 0.00 H new ATOM 1817 N SER 1 120 9.498 1.701 9.407 1.00 0.00 N ATOM 1818 CA SER 1 120 10.315 2.106 8.297 1.00 0.00 C ATOM 1819 C SER 1 120 9.429 2.926 7.369 1.00 0.00 C ATOM 1820 O SER 1 120 8.363 2.484 6.973 1.00 0.00 O ATOM 1821 CB SER 1 120 10.898 0.896 7.565 1.00 0.00 C ATOM 1822 OG SER 1 120 12.167 0.538 8.089 1.00 0.00 O ATOM 0 H SER 1 120 8.518 1.966 9.305 1.00 0.00 H new ATOM 0 HA SER 1 120 11.163 2.695 8.645 1.00 0.00 H new ATOM 0 HB2 SER 1 120 10.215 0.051 7.653 1.00 0.00 H new ATOM 0 HB3 SER 1 120 10.991 1.121 6.503 1.00 0.00 H new ATOM 0 HG SER 1 120 12.122 0.515 9.068 1.00 0.00 H new ATOM 1828 N LYS 1 121 9.845 4.128 7.055 1.00 0.00 N ATOM 1829 CA LYS 1 121 9.059 4.996 6.198 1.00 0.00 C ATOM 1830 C LYS 1 121 9.163 4.496 4.772 1.00 0.00 C ATOM 1831 O LYS 1 121 8.170 4.381 4.044 1.00 0.00 O ATOM 1832 CB LYS 1 121 9.552 6.417 6.354 1.00 0.00 C ATOM 1833 CG LYS 1 121 8.725 7.444 5.598 1.00 0.00 C ATOM 1834 CD LYS 1 121 9.097 8.863 5.998 1.00 0.00 C ATOM 1835 CE LYS 1 121 7.966 9.554 6.744 1.00 0.00 C ATOM 1836 NZ LYS 1 121 7.639 10.880 6.151 1.00 0.00 N ATOM 0 H LYS 1 121 10.724 4.533 7.378 1.00 0.00 H new ATOM 0 HA LYS 1 121 8.005 4.983 6.477 1.00 0.00 H new ATOM 0 HB2 LYS 1 121 9.555 6.676 7.413 1.00 0.00 H new ATOM 0 HB3 LYS 1 121 10.585 6.472 6.010 1.00 0.00 H new ATOM 0 HG2 LYS 1 121 8.875 7.316 4.526 1.00 0.00 H new ATOM 0 HG3 LYS 1 121 7.666 7.275 5.794 1.00 0.00 H new ATOM 0 HD2 LYS 1 121 9.987 8.842 6.626 1.00 0.00 H new ATOM 0 HD3 LYS 1 121 9.349 9.438 5.107 1.00 0.00 H new ATOM 0 HE2 LYS 1 121 7.079 8.920 6.727 1.00 0.00 H new ATOM 0 HE3 LYS 1 121 8.246 9.683 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS 1 121 6.864 11.319 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS 1 121 8.478 11.494 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS 1 121 7.347 10.755 5.161 1.00 0.00 H new ATOM 1850 N ASP 1 122 10.364 4.089 4.407 1.00 0.00 N ATOM 1851 CA ASP 1 122 10.578 3.484 3.129 1.00 0.00 C ATOM 1852 C ASP 1 122 9.824 2.160 3.105 1.00 0.00 C ATOM 1853 O ASP 1 122 9.815 1.465 2.110 1.00 0.00 O ATOM 1854 CB ASP 1 122 12.054 3.281 2.857 1.00 0.00 C ATOM 1855 CG ASP 1 122 12.752 4.562 2.445 1.00 0.00 C ATOM 1856 OD1 ASP 1 122 12.051 5.526 2.068 1.00 0.00 O ATOM 1857 OD2 ASP 1 122 13.999 4.603 2.498 1.00 0.00 O ATOM 0 H ASP 1 122 11.200 4.171 4.986 1.00 0.00 H new ATOM 0 HA ASP 1 122 10.205 4.138 2.341 1.00 0.00 H new ATOM 0 HB2 ASP 1 122 12.533 2.882 3.751 1.00 0.00 H new ATOM 0 HB3 ASP 1 122 12.176 2.536 2.071 1.00 0.00 H new ATOM 1862 N ASN 1 123 9.227 1.786 4.240 1.00 0.00 N ATOM 1863 CA ASN 1 123 8.500 0.543 4.330 1.00 0.00 C ATOM 1864 C ASN 1 123 7.320 0.547 3.376 1.00 0.00 C ATOM 1865 O ASN 1 123 7.212 -0.279 2.484 1.00 0.00 O ATOM 1866 CB ASN 1 123 8.004 0.352 5.773 1.00 0.00 C ATOM 1867 CG ASN 1 123 6.855 -0.597 5.802 1.00 0.00 C ATOM 1868 OD1 ASN 1 123 5.973 -0.505 6.651 1.00 0.00 O ATOM 1869 ND2 ASN 1 123 6.869 -1.518 4.857 1.00 0.00 N ATOM 0 H ASN 1 123 9.240 2.333 5.101 1.00 0.00 H new ATOM 0 HA ASN 1 123 9.162 -0.278 4.056 1.00 0.00 H new ATOM 0 HB2 ASN 1 123 8.814 -0.027 6.396 1.00 0.00 H new ATOM 0 HB3 ASN 1 123 7.702 1.312 6.192 1.00 0.00 H new ATOM 0 HD21 ASN 1 123 6.118 -2.206 4.804 1.00 0.00 H new ATOM 0 HD22 ASN 1 123 7.631 -1.542 4.180 1.00 0.00 H new ATOM 1876 N LEU 1 124 6.458 1.483 3.545 1.00 0.00 N ATOM 1877 CA LEU 1 124 5.317 1.592 2.663 1.00 0.00 C ATOM 1878 C LEU 1 124 5.789 1.913 1.270 1.00 0.00 C ATOM 1879 O LEU 1 124 5.479 1.223 0.302 1.00 0.00 O ATOM 1880 CB LEU 1 124 4.346 2.662 3.126 1.00 0.00 C ATOM 1881 CG LEU 1 124 4.484 3.078 4.573 1.00 0.00 C ATOM 1882 CD1 LEU 1 124 4.361 1.862 5.493 1.00 0.00 C ATOM 1883 CD2 LEU 1 124 5.814 3.788 4.773 1.00 0.00 C ATOM 0 H LEU 1 124 6.506 2.190 4.279 1.00 0.00 H new ATOM 0 HA LEU 1 124 4.793 0.636 2.675 1.00 0.00 H new ATOM 0 HB2 LEU 1 124 4.476 3.543 2.498 1.00 0.00 H new ATOM 0 HB3 LEU 1 124 3.330 2.302 2.964 1.00 0.00 H new ATOM 0 HG LEU 1 124 3.680 3.768 4.829 1.00 0.00 H new ATOM 0 HD11 LEU 1 124 4.463 2.179 6.531 1.00 0.00 H new ATOM 0 HD12 LEU 1 124 3.387 1.395 5.350 1.00 0.00 H new ATOM 0 HD13 LEU 1 124 5.146 1.144 5.254 1.00 0.00 H new ATOM 0 HD21 LEU 1 124 5.913 4.088 5.816 1.00 0.00 H new ATOM 0 HD22 LEU 1 124 6.629 3.114 4.510 1.00 0.00 H new ATOM 0 HD23 LEU 1 124 5.854 4.672 4.136 1.00 0.00 H new ATOM 1895 N LEU 1 125 6.537 2.992 1.186 1.00 0.00 N ATOM 1896 CA LEU 1 125 7.062 3.452 -0.067 1.00 0.00 C ATOM 1897 C LEU 1 125 7.942 2.413 -0.734 1.00 0.00 C ATOM 1898 O LEU 1 125 7.850 2.192 -1.940 1.00 0.00 O ATOM 1899 CB LEU 1 125 7.881 4.710 0.159 1.00 0.00 C ATOM 1900 CG LEU 1 125 7.091 5.949 0.563 1.00 0.00 C ATOM 1901 CD1 LEU 1 125 6.708 5.841 2.025 1.00 0.00 C ATOM 1902 CD2 LEU 1 125 7.907 7.208 0.310 1.00 0.00 C ATOM 0 H LEU 1 125 6.794 3.569 1.987 1.00 0.00 H new ATOM 0 HA LEU 1 125 6.214 3.651 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU 1 125 8.621 4.505 0.932 1.00 0.00 H new ATOM 0 HB3 LEU 1 125 8.429 4.934 -0.756 1.00 0.00 H new ATOM 0 HG LEU 1 125 6.185 6.013 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU 1 125 6.142 6.725 2.319 1.00 0.00 H new ATOM 0 HD12 LEU 1 125 6.096 4.952 2.176 1.00 0.00 H new ATOM 0 HD13 LEU 1 125 7.610 5.768 2.633 1.00 0.00 H new ATOM 0 HD21 LEU 1 125 7.327 8.083 0.604 1.00 0.00 H new ATOM 0 HD22 LEU 1 125 8.827 7.169 0.894 1.00 0.00 H new ATOM 0 HD23 LEU 1 125 8.153 7.275 -0.750 1.00 0.00 H new ATOM 1914 N TYR 1 126 8.832 1.812 0.047 1.00 0.00 N ATOM 1915 CA TYR 1 126 9.766 0.841 -0.498 1.00 0.00 C ATOM 1916 C TYR 1 126 9.524 -0.557 0.037 1.00 0.00 C ATOM 1917 O TYR 1 126 9.787 -1.543 -0.646 1.00 0.00 O ATOM 1918 CB TYR 1 126 11.191 1.274 -0.165 1.00 0.00 C ATOM 1919 CG TYR 1 126 11.937 1.862 -1.331 1.00 0.00 C ATOM 1920 CD1 TYR 1 126 11.541 3.071 -1.876 1.00 0.00 C ATOM 1921 CD2 TYR 1 126 13.034 1.215 -1.883 1.00 0.00 C ATOM 1922 CE1 TYR 1 126 12.217 3.625 -2.946 1.00 0.00 C ATOM 1923 CE2 TYR 1 126 13.718 1.761 -2.951 1.00 0.00 C ATOM 1924 CZ TYR 1 126 13.307 2.966 -3.479 1.00 0.00 C ATOM 1925 OH TYR 1 126 13.989 3.513 -4.542 1.00 0.00 O ATOM 0 H TYR 1 126 8.925 1.979 1.049 1.00 0.00 H new ATOM 0 HA TYR 1 126 9.616 0.807 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR 1 126 11.159 2.008 0.640 1.00 0.00 H new ATOM 0 HB3 TYR 1 126 11.744 0.413 0.210 1.00 0.00 H new ATOM 0 HD1 TYR 1 126 10.690 3.589 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR 1 126 13.357 0.270 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR 1 126 11.895 4.568 -3.363 1.00 0.00 H new ATOM 0 HE2 TYR 1 126 14.570 1.247 -3.370 1.00 0.00 H new ATOM 0 HH TYR 1 126 14.730 2.923 -4.794 1.00 0.00 H new ATOM 1935 N GLY 1 127 9.056 -0.650 1.269 1.00 0.00 N ATOM 1936 CA GLY 1 127 8.843 -1.964 1.852 1.00 0.00 C ATOM 1937 C GLY 1 127 9.963 -2.338 2.788 1.00 0.00 C ATOM 1938 O GLY 1 127 10.247 -3.516 3.002 1.00 0.00 O ATOM 0 H GLY 1 127 8.822 0.141 1.870 1.00 0.00 H new ATOM 0 HA2 GLY 1 127 7.896 -1.975 2.392 1.00 0.00 H new ATOM 0 HA3 GLY 1 127 8.766 -2.708 1.059 1.00 0.00 H new ATOM 1942 N LYS 1 128 10.605 -1.317 3.342 1.00 0.00 N ATOM 1943 CA LYS 1 128 11.692 -1.507 4.259 1.00 0.00 C ATOM 1944 C LYS 1 128 11.181 -1.936 5.632 1.00 0.00 C ATOM 1945 O LYS 1 128 12.013 -2.093 6.550 1.00 0.00 O ATOM 1946 CB LYS 1 128 12.451 -0.202 4.392 1.00 0.00 C ATOM 1947 CG LYS 1 128 13.049 0.295 3.093 1.00 0.00 C ATOM 1948 CD LYS 1 128 14.175 1.282 3.360 1.00 0.00 C ATOM 1949 CE LYS 1 128 14.789 1.797 2.068 1.00 0.00 C ATOM 1950 NZ LYS 1 128 15.879 2.779 2.324 1.00 0.00 N ATOM 1951 OXT LYS 1 128 9.952 -2.107 5.778 1.00 0.00 O ATOM 0 H LYS 1 128 10.377 -0.339 3.160 1.00 0.00 H new ATOM 0 HA LYS 1 128 12.344 -2.292 3.876 1.00 0.00 H new ATOM 0 HB2 LYS 1 128 11.778 0.560 4.786 1.00 0.00 H new ATOM 0 HB3 LYS 1 128 13.250 -0.330 5.123 1.00 0.00 H new ATOM 0 HG2 LYS 1 128 13.428 -0.548 2.516 1.00 0.00 H new ATOM 0 HG3 LYS 1 128 12.276 0.772 2.491 1.00 0.00 H new ATOM 0 HD2 LYS 1 128 13.793 2.121 3.941 1.00 0.00 H new ATOM 0 HD3 LYS 1 128 14.945 0.801 3.963 1.00 0.00 H new ATOM 0 HE2 LYS 1 128 15.183 0.958 1.494 1.00 0.00 H new ATOM 0 HE3 LYS 1 128 14.015 2.264 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS 1 128 16.544 2.776 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS 1 128 15.471 3.730 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS 1 128 16.384 2.518 3.195 1.00 0.00 H new