USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS : no HD1:sc= -0.267 K(o=-2.3,f=-0.34) USER MOD Set 1.2: A 75 ASN : amide:sc= -2.02 K(o=-2.3,f=-0.34) USER MOD Set 1.3: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 68 LYS NZ :NH3+ -169:sc= -1.01 (180deg=-1.14) USER MOD Set 2.2: A 92 TYR OH : rot -169:sc= 1.18 USER MOD Single : A 18 THR OG1 : rot 23:sc= 0.209 USER MOD Single : A 19 TYR OH : rot 53:sc= 1.12 USER MOD Single : A 22 SER OG : rot 180:sc= 0.004 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.322) USER MOD Single : A 25 THR OG1 : rot -6:sc= 0.139 USER MOD Single : A 27 SER OG : rot 6:sc= 0.154 USER MOD Single : A 32 SER OG : rot -129:sc= 0.361 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.000656 X(o=-0.00066,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 149:sc= 0.108 USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0166) USER MOD Single : A 89 THR OG1 : rot 31:sc= 0.125 USER MOD Single : A 93 MET CE :methyl -127:sc= 0 (180deg=-0.0113) USER MOD Single : A 97 THR OG1 : rot -74:sc= -1.97! USER MOD Single : A 98 TYR OH : rot 165:sc= 0.0106 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.906 USER MOD Single : A 113 THR OG1 : rot -53:sc= 0.796 USER MOD ----------------------------------------------------------------- ATOM 244 N THR A 18 -3.417 -20.960 0.034 1.00 0.00 N ATOM 245 CA THR A 18 -2.016 -21.030 0.429 1.00 0.00 C ATOM 246 C THR A 18 -1.470 -19.647 0.765 1.00 0.00 C ATOM 247 O THR A 18 -0.483 -19.518 1.490 1.00 0.00 O ATOM 248 CB THR A 18 -1.150 -21.656 -0.680 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.764 -22.857 -1.162 1.00 0.00 O ATOM 250 CG2 THR A 18 0.247 -21.965 -0.166 1.00 0.00 C ATOM 0 HA THR A 18 -1.969 -21.662 1.316 1.00 0.00 H new ATOM 0 HB THR A 18 -1.069 -20.938 -1.496 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.725 -22.833 -0.971 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.840 -22.406 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.722 -21.044 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.182 -22.666 0.666 1.00 0.00 H new ATOM 258 N TYR A 19 -2.118 -18.615 0.236 1.00 0.00 N ATOM 259 CA TYR A 19 -1.695 -17.241 0.479 1.00 0.00 C ATOM 260 C TYR A 19 -1.897 -16.860 1.942 1.00 0.00 C ATOM 261 O TYR A 19 -2.843 -17.310 2.588 1.00 0.00 O ATOM 262 CB TYR A 19 -2.472 -16.280 -0.422 1.00 0.00 C ATOM 263 CG TYR A 19 -3.843 -15.928 0.108 1.00 0.00 C ATOM 264 CD1 TYR A 19 -4.005 -14.936 1.067 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.977 -16.586 -0.351 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.256 -14.612 1.555 1.00 0.00 C ATOM 267 CE2 TYR A 19 -6.232 -16.268 0.129 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.367 -15.280 1.083 1.00 0.00 C ATOM 269 OH TYR A 19 -7.615 -14.959 1.565 1.00 0.00 O ATOM 0 H TYR A 19 -2.938 -18.704 -0.364 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.633 -17.168 0.247 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.894 -15.364 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.578 -16.727 -1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.138 -14.409 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.875 -17.360 -1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.364 -13.840 2.302 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.103 -16.789 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.764 -13.995 1.471 1.00 0.00 H new ATOM 279 N ASP A 20 -1.000 -16.026 2.458 1.00 0.00 N ATOM 280 CA ASP A 20 -1.079 -15.582 3.845 1.00 0.00 C ATOM 281 C ASP A 20 -0.578 -14.147 3.984 1.00 0.00 C ATOM 282 O ASP A 20 0.615 -13.879 3.846 1.00 0.00 O ATOM 283 CB ASP A 20 -0.264 -16.509 4.747 1.00 0.00 C ATOM 284 CG ASP A 20 -1.086 -17.666 5.281 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.319 -18.630 4.521 1.00 0.00 O ATOM 286 OD2 ASP A 20 -1.496 -17.608 6.459 1.00 0.00 O ATOM 0 H ASP A 20 -0.211 -15.644 1.937 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.124 -15.616 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.587 -16.899 4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.138 -15.937 5.583 1.00 0.00 H new ATOM 291 N ALA A 21 -1.499 -13.229 4.258 1.00 0.00 N ATOM 292 CA ALA A 21 -1.151 -11.822 4.418 1.00 0.00 C ATOM 293 C ALA A 21 -0.201 -11.622 5.593 1.00 0.00 C ATOM 294 O ALA A 21 0.757 -10.853 5.505 1.00 0.00 O ATOM 295 CB ALA A 21 -2.408 -10.986 4.604 1.00 0.00 C ATOM 0 H ALA A 21 -2.491 -13.434 4.374 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.640 -11.494 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.134 -9.938 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.051 -11.096 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.942 -11.324 5.492 1.00 0.00 H new ATOM 301 N SER A 22 -0.472 -12.317 6.693 1.00 0.00 N ATOM 302 CA SER A 22 0.357 -12.211 7.888 1.00 0.00 C ATOM 303 C SER A 22 1.835 -12.344 7.537 1.00 0.00 C ATOM 304 O SER A 22 2.699 -11.784 8.213 1.00 0.00 O ATOM 305 CB SER A 22 -0.037 -13.285 8.904 1.00 0.00 C ATOM 306 OG SER A 22 -1.441 -13.325 9.086 1.00 0.00 O ATOM 0 H SER A 22 -1.259 -12.960 6.782 1.00 0.00 H new ATOM 0 HA SER A 22 0.194 -11.227 8.328 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.317 -14.258 8.564 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.451 -13.084 9.858 1.00 0.00 H new ATOM 0 HG SER A 22 -1.667 -14.021 9.739 1.00 0.00 H new ATOM 312 N LYS A 23 2.120 -13.089 6.475 1.00 0.00 N ATOM 313 CA LYS A 23 3.493 -13.297 6.031 1.00 0.00 C ATOM 314 C LYS A 23 3.954 -12.151 5.135 1.00 0.00 C ATOM 315 O LYS A 23 4.906 -12.295 4.367 1.00 0.00 O ATOM 316 CB LYS A 23 3.613 -14.625 5.280 1.00 0.00 C ATOM 317 CG LYS A 23 3.673 -15.837 6.194 1.00 0.00 C ATOM 318 CD LYS A 23 5.091 -16.108 6.668 1.00 0.00 C ATOM 319 CE LYS A 23 5.233 -17.515 7.228 1.00 0.00 C ATOM 320 NZ LYS A 23 6.660 -17.921 7.355 1.00 0.00 N ATOM 0 H LYS A 23 1.417 -13.560 5.905 1.00 0.00 H new ATOM 0 HA LYS A 23 4.133 -13.327 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.763 -14.730 4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.510 -14.603 4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.025 -15.677 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.291 -16.711 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.785 -15.974 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.365 -15.382 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.753 -17.567 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.712 -18.218 6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.732 -18.957 7.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.211 -17.498 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.035 -17.592 8.267 1.00 0.00 H new ATOM 334 N VAL A 24 3.275 -11.013 5.240 1.00 0.00 N ATOM 335 CA VAL A 24 3.616 -9.842 4.442 1.00 0.00 C ATOM 336 C VAL A 24 4.108 -8.700 5.324 1.00 0.00 C ATOM 337 O VAL A 24 3.415 -8.272 6.248 1.00 0.00 O ATOM 338 CB VAL A 24 2.412 -9.356 3.615 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.775 -8.109 2.823 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.920 -10.460 2.690 1.00 0.00 C ATOM 0 H VAL A 24 2.485 -10.878 5.871 1.00 0.00 H new ATOM 0 HA VAL A 24 4.415 -10.143 3.764 1.00 0.00 H new ATOM 0 HB VAL A 24 1.604 -9.100 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.911 -7.781 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.075 -7.317 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.600 -8.335 2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.069 -10.099 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.722 -10.750 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.617 -11.323 3.283 1.00 0.00 H new ATOM 350 N THR A 25 5.308 -8.209 5.033 1.00 0.00 N ATOM 351 CA THR A 25 5.893 -7.116 5.799 1.00 0.00 C ATOM 352 C THR A 25 6.506 -6.066 4.880 1.00 0.00 C ATOM 353 O THR A 25 6.969 -6.380 3.784 1.00 0.00 O ATOM 354 CB THR A 25 6.976 -7.627 6.769 1.00 0.00 C ATOM 355 OG1 THR A 25 7.993 -8.326 6.044 1.00 0.00 O ATOM 356 CG2 THR A 25 6.371 -8.546 7.819 1.00 0.00 C ATOM 0 H THR A 25 5.894 -8.551 4.272 1.00 0.00 H new ATOM 0 HA THR A 25 5.084 -6.664 6.373 1.00 0.00 H new ATOM 0 HB THR A 25 7.417 -6.767 7.273 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.728 -8.407 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.154 -8.894 8.492 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.618 -8.001 8.389 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.906 -9.402 7.329 1.00 0.00 H new ATOM 364 N ALA A 26 6.505 -4.816 5.333 1.00 0.00 N ATOM 365 CA ALA A 26 7.063 -3.720 4.552 1.00 0.00 C ATOM 366 C ALA A 26 7.942 -2.822 5.416 1.00 0.00 C ATOM 367 O ALA A 26 7.728 -2.703 6.622 1.00 0.00 O ATOM 368 CB ALA A 26 5.948 -2.909 3.908 1.00 0.00 C ATOM 0 H ALA A 26 6.124 -4.538 6.237 1.00 0.00 H new ATOM 0 HA ALA A 26 7.686 -4.147 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.380 -2.094 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.363 -3.552 3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.301 -2.499 4.684 1.00 0.00 H new ATOM 374 N SER A 27 8.931 -2.191 4.791 1.00 0.00 N ATOM 375 CA SER A 27 9.845 -1.307 5.505 1.00 0.00 C ATOM 376 C SER A 27 10.323 -0.175 4.600 1.00 0.00 C ATOM 377 O SER A 27 10.313 -0.297 3.376 1.00 0.00 O ATOM 378 CB SER A 27 11.046 -2.096 6.030 1.00 0.00 C ATOM 379 OG SER A 27 10.676 -2.920 7.123 1.00 0.00 O ATOM 0 H SER A 27 9.120 -2.275 3.792 1.00 0.00 H new ATOM 0 HA SER A 27 9.307 -0.874 6.348 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.459 -2.711 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.831 -1.406 6.340 1.00 0.00 H new ATOM 0 HG SER A 27 9.705 -2.881 7.248 1.00 0.00 H new ATOM 385 N GLY A 28 10.743 0.927 5.213 1.00 0.00 N ATOM 386 CA GLY A 28 11.219 2.066 4.449 1.00 0.00 C ATOM 387 C GLY A 28 10.761 3.388 5.033 1.00 0.00 C ATOM 388 O GLY A 28 10.168 3.443 6.110 1.00 0.00 O ATOM 0 H GLY A 28 10.762 1.052 6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.308 2.046 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.865 1.984 3.421 1.00 0.00 H new ATOM 392 N PRO A 29 11.040 4.485 4.313 1.00 0.00 N ATOM 393 CA PRO A 29 10.663 5.833 4.747 1.00 0.00 C ATOM 394 C PRO A 29 9.157 6.060 4.691 1.00 0.00 C ATOM 395 O PRO A 29 8.590 6.744 5.542 1.00 0.00 O ATOM 396 CB PRO A 29 11.379 6.742 3.744 1.00 0.00 C ATOM 397 CG PRO A 29 11.551 5.900 2.527 1.00 0.00 C ATOM 398 CD PRO A 29 11.745 4.493 3.020 1.00 0.00 C ATOM 0 HA PRO A 29 10.940 6.019 5.785 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.791 7.634 3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.340 7.079 4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.678 5.969 1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.410 6.230 1.942 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.324 3.763 2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.801 4.250 3.137 1.00 0.00 H new ATOM 406 N GLY A 30 8.512 5.481 3.682 1.00 0.00 N ATOM 407 CA GLY A 30 7.077 5.632 3.534 1.00 0.00 C ATOM 408 C GLY A 30 6.320 5.234 4.786 1.00 0.00 C ATOM 409 O GLY A 30 5.248 5.770 5.070 1.00 0.00 O ATOM 0 H GLY A 30 8.959 4.910 2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.847 6.669 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.735 5.023 2.697 1.00 0.00 H new ATOM 413 N LEU A 31 6.876 4.289 5.536 1.00 0.00 N ATOM 414 CA LEU A 31 6.246 3.817 6.764 1.00 0.00 C ATOM 415 C LEU A 31 7.090 4.177 7.983 1.00 0.00 C ATOM 416 O LEU A 31 7.027 3.508 9.014 1.00 0.00 O ATOM 417 CB LEU A 31 6.036 2.303 6.704 1.00 0.00 C ATOM 418 CG LEU A 31 5.367 1.768 5.438 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.770 0.323 5.191 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.854 1.892 5.541 1.00 0.00 C ATOM 0 H LEU A 31 7.762 3.834 5.315 1.00 0.00 H new ATOM 0 HA LEU A 31 5.278 4.308 6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.006 1.817 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.434 2.006 7.563 1.00 0.00 H new ATOM 0 HG LEU A 31 5.704 2.367 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.284 -0.041 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.852 0.262 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.464 -0.290 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.395 1.506 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.499 1.319 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.583 2.940 5.668 1.00 0.00 H new ATOM 432 N SER A 32 7.879 5.240 7.857 1.00 0.00 N ATOM 433 CA SER A 32 8.737 5.688 8.947 1.00 0.00 C ATOM 434 C SER A 32 7.905 6.137 10.144 1.00 0.00 C ATOM 435 O SER A 32 7.101 7.064 10.043 1.00 0.00 O ATOM 436 CB SER A 32 9.637 6.833 8.478 1.00 0.00 C ATOM 437 OG SER A 32 10.231 7.498 9.579 1.00 0.00 O ATOM 0 H SER A 32 7.941 5.806 7.011 1.00 0.00 H new ATOM 0 HA SER A 32 9.360 4.848 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.415 6.443 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.053 7.543 7.893 1.00 0.00 H new ATOM 0 HG SER A 32 10.083 8.463 9.497 1.00 0.00 H new ATOM 443 N SER A 33 8.105 5.474 11.278 1.00 0.00 N ATOM 444 CA SER A 33 7.371 5.801 12.495 1.00 0.00 C ATOM 445 C SER A 33 7.730 7.200 12.987 1.00 0.00 C ATOM 446 O SER A 33 6.869 7.947 13.452 1.00 0.00 O ATOM 447 CB SER A 33 7.668 4.772 13.588 1.00 0.00 C ATOM 448 OG SER A 33 9.054 4.723 13.878 1.00 0.00 O ATOM 0 H SER A 33 8.769 4.707 11.380 1.00 0.00 H new ATOM 0 HA SER A 33 6.306 5.778 12.264 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.113 5.025 14.491 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.325 3.788 13.269 1.00 0.00 H new ATOM 0 HG SER A 33 9.218 4.060 14.580 1.00 0.00 H new ATOM 454 N TYR A 34 9.008 7.547 12.880 1.00 0.00 N ATOM 455 CA TYR A 34 9.483 8.855 13.316 1.00 0.00 C ATOM 456 C TYR A 34 8.781 9.972 12.551 1.00 0.00 C ATOM 457 O TYR A 34 8.548 11.055 13.086 1.00 0.00 O ATOM 458 CB TYR A 34 10.997 8.962 13.121 1.00 0.00 C ATOM 459 CG TYR A 34 11.793 8.136 14.106 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.879 6.755 13.976 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.462 8.737 15.166 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.605 5.997 14.874 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.191 7.986 16.067 1.00 0.00 C ATOM 464 CZ TYR A 34 13.260 6.617 15.917 1.00 0.00 C ATOM 465 OH TYR A 34 13.985 5.865 16.813 1.00 0.00 O ATOM 0 H TYR A 34 9.733 6.941 12.495 1.00 0.00 H new ATOM 0 HA TYR A 34 9.251 8.963 14.376 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.248 8.646 12.108 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.294 10.007 13.212 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.369 6.266 13.159 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.411 9.809 15.287 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.659 4.924 14.760 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.705 8.469 16.885 1.00 0.00 H new ATOM 0 HH TYR A 34 14.385 6.454 17.486 1.00 0.00 H new ATOM 475 N GLY A 35 8.445 9.700 11.293 1.00 0.00 N ATOM 476 CA GLY A 35 7.772 10.690 10.474 1.00 0.00 C ATOM 477 C GLY A 35 8.271 10.694 9.042 1.00 0.00 C ATOM 478 O GLY A 35 9.395 10.273 8.767 1.00 0.00 O ATOM 0 H GLY A 35 8.627 8.811 10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.700 10.495 10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.919 11.678 10.910 1.00 0.00 H new ATOM 482 N VAL A 36 7.433 11.169 8.126 1.00 0.00 N ATOM 483 CA VAL A 36 7.794 11.226 6.715 1.00 0.00 C ATOM 484 C VAL A 36 7.833 12.665 6.215 1.00 0.00 C ATOM 485 O VAL A 36 7.089 13.530 6.678 1.00 0.00 O ATOM 486 CB VAL A 36 6.807 10.419 5.850 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.847 8.946 6.228 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.399 10.976 5.991 1.00 0.00 C ATOM 0 H VAL A 36 6.499 11.520 8.336 1.00 0.00 H new ATOM 0 HA VAL A 36 8.787 10.787 6.625 1.00 0.00 H new ATOM 0 HB VAL A 36 7.107 10.509 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.144 8.392 5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.853 8.557 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.573 8.832 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.714 10.395 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.087 10.917 7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.385 12.017 5.667 1.00 0.00 H new ATOM 498 N PRO A 37 8.720 12.930 5.244 1.00 0.00 N ATOM 499 CA PRO A 37 8.876 14.265 4.658 1.00 0.00 C ATOM 500 C PRO A 37 7.677 14.669 3.807 1.00 0.00 C ATOM 501 O PRO A 37 7.390 14.044 2.787 1.00 0.00 O ATOM 502 CB PRO A 37 10.127 14.125 3.787 1.00 0.00 C ATOM 503 CG PRO A 37 10.196 12.675 3.452 1.00 0.00 C ATOM 504 CD PRO A 37 9.638 11.948 4.644 1.00 0.00 C ATOM 0 HA PRO A 37 8.955 15.039 5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.053 14.736 2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.020 14.451 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.618 12.454 2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.223 12.369 3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.116 11.037 4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.424 11.655 5.340 1.00 0.00 H new ATOM 512 N ALA A 38 6.981 15.717 4.233 1.00 0.00 N ATOM 513 CA ALA A 38 5.814 16.206 3.509 1.00 0.00 C ATOM 514 C ALA A 38 6.211 16.779 2.153 1.00 0.00 C ATOM 515 O ALA A 38 7.363 17.155 1.940 1.00 0.00 O ATOM 516 CB ALA A 38 5.082 17.254 4.333 1.00 0.00 C ATOM 0 H ALA A 38 7.205 16.245 5.077 1.00 0.00 H new ATOM 0 HA ALA A 38 5.144 15.363 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.213 17.610 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.757 16.814 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.751 18.090 4.535 1.00 0.00 H new ATOM 522 N SER A 39 5.249 16.842 1.238 1.00 0.00 N ATOM 523 CA SER A 39 5.499 17.366 -0.100 1.00 0.00 C ATOM 524 C SER A 39 6.697 16.671 -0.740 1.00 0.00 C ATOM 525 O SER A 39 7.488 17.297 -1.447 1.00 0.00 O ATOM 526 CB SER A 39 5.741 18.875 -0.043 1.00 0.00 C ATOM 527 OG SER A 39 4.521 19.582 0.098 1.00 0.00 O ATOM 0 H SER A 39 4.289 16.537 1.399 1.00 0.00 H new ATOM 0 HA SER A 39 4.618 17.170 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.400 19.110 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.250 19.199 -0.951 1.00 0.00 H new ATOM 0 HG SER A 39 4.703 20.544 0.134 1.00 0.00 H new ATOM 533 N LEU A 40 6.825 15.373 -0.486 1.00 0.00 N ATOM 534 CA LEU A 40 7.927 14.591 -1.036 1.00 0.00 C ATOM 535 C LEU A 40 7.464 13.187 -1.412 1.00 0.00 C ATOM 536 O LEU A 40 6.874 12.466 -0.607 1.00 0.00 O ATOM 537 CB LEU A 40 9.074 14.510 -0.028 1.00 0.00 C ATOM 538 CG LEU A 40 10.388 13.927 -0.551 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.181 12.503 -1.043 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.954 14.800 -1.661 1.00 0.00 C ATOM 0 H LEU A 40 6.180 14.840 0.097 1.00 0.00 H new ATOM 0 HA LEU A 40 8.280 15.091 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.270 15.513 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.745 13.909 0.819 1.00 0.00 H new ATOM 0 HG LEU A 40 11.106 13.906 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.126 12.104 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.821 11.883 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.447 12.500 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.889 14.370 -2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.239 14.854 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.140 15.803 -1.276 1.00 0.00 H new ATOM 552 N PRO A 41 7.738 12.788 -2.663 1.00 0.00 N ATOM 553 CA PRO A 41 7.361 11.467 -3.173 1.00 0.00 C ATOM 554 C PRO A 41 8.172 10.345 -2.533 1.00 0.00 C ATOM 555 O PRO A 41 9.302 10.073 -2.938 1.00 0.00 O ATOM 556 CB PRO A 41 7.668 11.563 -4.669 1.00 0.00 C ATOM 557 CG PRO A 41 8.725 12.608 -4.772 1.00 0.00 C ATOM 558 CD PRO A 41 8.437 13.596 -3.676 1.00 0.00 C ATOM 0 HA PRO A 41 6.321 11.227 -2.952 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.015 10.608 -5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.781 11.840 -5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.717 12.173 -4.654 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.703 13.091 -5.749 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.353 14.034 -3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.817 14.420 -4.030 1.00 0.00 H new ATOM 566 N VAL A 42 7.588 9.696 -1.530 1.00 0.00 N ATOM 567 CA VAL A 42 8.256 8.603 -0.835 1.00 0.00 C ATOM 568 C VAL A 42 7.605 7.264 -1.163 1.00 0.00 C ATOM 569 O VAL A 42 6.386 7.174 -1.310 1.00 0.00 O ATOM 570 CB VAL A 42 8.235 8.812 0.691 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.804 8.887 1.200 1.00 0.00 C ATOM 572 CG2 VAL A 42 9.001 7.700 1.391 1.00 0.00 C ATOM 0 H VAL A 42 6.653 9.909 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 42 9.290 8.595 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 42 8.726 9.759 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.809 9.035 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.291 9.722 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.285 7.958 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.976 7.863 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.541 6.739 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.036 7.699 1.048 1.00 0.00 H new ATOM 582 N ASP A 43 8.425 6.225 -1.275 1.00 0.00 N ATOM 583 CA ASP A 43 7.929 4.889 -1.584 1.00 0.00 C ATOM 584 C ASP A 43 8.592 3.844 -0.692 1.00 0.00 C ATOM 585 O ASP A 43 9.774 3.952 -0.364 1.00 0.00 O ATOM 586 CB ASP A 43 8.181 4.556 -3.055 1.00 0.00 C ATOM 587 CG ASP A 43 9.618 4.808 -3.468 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.524 4.543 -2.651 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.836 5.270 -4.607 1.00 0.00 O ATOM 0 H ASP A 43 9.436 6.282 -1.156 1.00 0.00 H new ATOM 0 HA ASP A 43 6.856 4.874 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.932 3.510 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.517 5.154 -3.679 1.00 0.00 H new ATOM 594 N PHE A 44 7.822 2.833 -0.301 1.00 0.00 N ATOM 595 CA PHE A 44 8.334 1.769 0.555 1.00 0.00 C ATOM 596 C PHE A 44 8.490 0.469 -0.228 1.00 0.00 C ATOM 597 O PHE A 44 8.208 0.415 -1.425 1.00 0.00 O ATOM 598 CB PHE A 44 7.400 1.551 1.747 1.00 0.00 C ATOM 599 CG PHE A 44 5.950 1.469 1.365 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.210 2.620 1.151 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.327 0.240 1.221 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.875 2.548 0.799 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.993 0.161 0.869 1.00 0.00 C ATOM 604 CZ PHE A 44 3.265 1.317 0.659 1.00 0.00 C ATOM 0 H PHE A 44 6.842 2.729 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 44 9.315 2.072 0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.685 0.632 2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.535 2.366 2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.682 3.585 1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.890 -0.667 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.310 3.453 0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.520 -0.803 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.222 1.258 0.386 1.00 0.00 H new ATOM 614 N ALA A 45 8.941 -0.577 0.457 1.00 0.00 N ATOM 615 CA ALA A 45 9.133 -1.877 -0.173 1.00 0.00 C ATOM 616 C ALA A 45 8.494 -2.988 0.655 1.00 0.00 C ATOM 617 O ALA A 45 8.757 -3.112 1.851 1.00 0.00 O ATOM 618 CB ALA A 45 10.616 -2.153 -0.374 1.00 0.00 C ATOM 0 H ALA A 45 9.180 -0.549 1.448 1.00 0.00 H new ATOM 0 HA ALA A 45 8.643 -1.857 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.744 -3.127 -0.845 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.046 -1.382 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.121 -2.148 0.592 1.00 0.00 H new ATOM 624 N ILE A 46 7.655 -3.792 0.010 1.00 0.00 N ATOM 625 CA ILE A 46 6.980 -4.892 0.687 1.00 0.00 C ATOM 626 C ILE A 46 7.701 -6.213 0.443 1.00 0.00 C ATOM 627 O ILE A 46 7.679 -6.748 -0.666 1.00 0.00 O ATOM 628 CB ILE A 46 5.517 -5.024 0.225 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.755 -3.724 0.491 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.843 -6.193 0.928 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.516 -3.565 -0.362 1.00 0.00 C ATOM 0 H ILE A 46 7.427 -3.702 -0.980 1.00 0.00 H new ATOM 0 HA ILE A 46 6.996 -4.664 1.753 1.00 0.00 H new ATOM 0 HB ILE A 46 5.507 -5.215 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.470 -3.688 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.420 -2.879 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.810 -6.273 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.374 -7.115 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.862 -6.029 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.026 -2.622 -0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.796 -3.569 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.831 -4.390 -0.166 1.00 0.00 H new ATOM 643 N ASP A 47 8.337 -6.735 1.486 1.00 0.00 N ATOM 644 CA ASP A 47 9.062 -7.997 1.386 1.00 0.00 C ATOM 645 C ASP A 47 8.217 -9.152 1.913 1.00 0.00 C ATOM 646 O ASP A 47 7.871 -9.193 3.093 1.00 0.00 O ATOM 647 CB ASP A 47 10.378 -7.915 2.161 1.00 0.00 C ATOM 648 CG ASP A 47 11.398 -8.926 1.675 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.377 -10.074 2.167 1.00 0.00 O ATOM 650 OD2 ASP A 47 12.218 -8.569 0.804 1.00 0.00 O ATOM 0 H ASP A 47 8.365 -6.304 2.410 1.00 0.00 H new ATOM 0 HA ASP A 47 9.280 -8.181 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.791 -6.911 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.183 -8.080 3.221 1.00 0.00 H new ATOM 655 N ALA A 48 7.887 -10.089 1.029 1.00 0.00 N ATOM 656 CA ALA A 48 7.084 -11.245 1.406 1.00 0.00 C ATOM 657 C ALA A 48 7.903 -12.530 1.333 1.00 0.00 C ATOM 658 O ALA A 48 8.499 -12.839 0.301 1.00 0.00 O ATOM 659 CB ALA A 48 5.856 -11.348 0.513 1.00 0.00 C ATOM 0 H ALA A 48 8.164 -10.069 0.047 1.00 0.00 H new ATOM 0 HA ALA A 48 6.759 -11.110 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.265 -12.216 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.253 -10.446 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.169 -11.456 -0.525 1.00 0.00 H new ATOM 665 N ARG A 49 7.929 -13.273 2.434 1.00 0.00 N ATOM 666 CA ARG A 49 8.677 -14.523 2.495 1.00 0.00 C ATOM 667 C ARG A 49 7.772 -15.713 2.190 1.00 0.00 C ATOM 668 O ARG A 49 8.045 -16.496 1.279 1.00 0.00 O ATOM 669 CB ARG A 49 9.314 -14.694 3.875 1.00 0.00 C ATOM 670 CG ARG A 49 10.479 -13.751 4.129 1.00 0.00 C ATOM 671 CD ARG A 49 11.708 -14.156 3.329 1.00 0.00 C ATOM 672 NE ARG A 49 11.663 -13.647 1.961 1.00 0.00 N ATOM 673 CZ ARG A 49 12.592 -13.909 1.048 1.00 0.00 C ATOM 674 NH1 ARG A 49 13.632 -14.672 1.356 1.00 0.00 N ATOM 675 NH2 ARG A 49 12.481 -13.409 -0.176 1.00 0.00 N ATOM 0 H ARG A 49 7.441 -13.031 3.296 1.00 0.00 H new ATOM 0 HA ARG A 49 9.464 -14.484 1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.554 -14.533 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.660 -15.722 3.981 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.190 -12.734 3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.720 -13.747 5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.603 -13.782 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.785 -15.243 3.309 1.00 0.00 H new ATOM 0 HE ARG A 49 10.875 -13.058 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.720 -15.059 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.344 -14.872 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.682 -12.823 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.195 -13.611 -0.876 1.00 0.00 H new ATOM 689 N ASP A 50 6.696 -15.843 2.957 1.00 0.00 N ATOM 690 CA ASP A 50 5.750 -16.937 2.769 1.00 0.00 C ATOM 691 C ASP A 50 4.347 -16.403 2.501 1.00 0.00 C ATOM 692 O ASP A 50 3.352 -17.043 2.843 1.00 0.00 O ATOM 693 CB ASP A 50 5.737 -17.846 3.999 1.00 0.00 C ATOM 694 CG ASP A 50 5.427 -19.288 3.651 1.00 0.00 C ATOM 695 OD1 ASP A 50 4.416 -19.527 2.956 1.00 0.00 O ATOM 696 OD2 ASP A 50 6.194 -20.178 4.072 1.00 0.00 O ATOM 0 H ASP A 50 6.457 -15.204 3.715 1.00 0.00 H new ATOM 0 HA ASP A 50 6.070 -17.516 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.707 -17.795 4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.996 -17.480 4.710 1.00 0.00 H new ATOM 701 N ALA A 51 4.274 -15.226 1.889 1.00 0.00 N ATOM 702 CA ALA A 51 2.993 -14.606 1.574 1.00 0.00 C ATOM 703 C ALA A 51 2.375 -15.226 0.326 1.00 0.00 C ATOM 704 O ALA A 51 1.414 -14.696 -0.231 1.00 0.00 O ATOM 705 CB ALA A 51 3.164 -13.105 1.391 1.00 0.00 C ATOM 0 H ALA A 51 5.088 -14.682 1.601 1.00 0.00 H new ATOM 0 HA ALA A 51 2.316 -14.784 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.199 -12.655 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.554 -12.668 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.861 -12.915 0.575 1.00 0.00 H new ATOM 711 N GLY A 52 2.933 -16.351 -0.109 1.00 0.00 N ATOM 712 CA GLY A 52 2.423 -17.024 -1.289 1.00 0.00 C ATOM 713 C GLY A 52 2.155 -16.066 -2.433 1.00 0.00 C ATOM 714 O GLY A 52 3.022 -15.277 -2.805 1.00 0.00 O ATOM 0 H GLY A 52 3.729 -16.809 0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.140 -17.779 -1.612 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.502 -17.548 -1.035 1.00 0.00 H new ATOM 718 N GLU A 53 0.950 -16.136 -2.991 1.00 0.00 N ATOM 719 CA GLU A 53 0.572 -15.268 -4.101 1.00 0.00 C ATOM 720 C GLU A 53 -0.868 -14.786 -3.948 1.00 0.00 C ATOM 721 O GLU A 53 -1.795 -15.588 -3.849 1.00 0.00 O ATOM 722 CB GLU A 53 0.736 -16.005 -5.432 1.00 0.00 C ATOM 723 CG GLU A 53 -0.303 -17.090 -5.659 1.00 0.00 C ATOM 724 CD GLU A 53 0.163 -18.146 -6.642 1.00 0.00 C ATOM 725 OE1 GLU A 53 1.341 -18.554 -6.559 1.00 0.00 O ATOM 726 OE2 GLU A 53 -0.649 -18.565 -7.493 1.00 0.00 O ATOM 0 H GLU A 53 0.220 -16.783 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 53 1.231 -14.400 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.679 -15.283 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.730 -16.451 -5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.541 -17.565 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.223 -16.636 -6.028 1.00 0.00 H new ATOM 733 N GLY A 54 -1.046 -13.469 -3.929 1.00 0.00 N ATOM 734 CA GLY A 54 -2.374 -12.902 -3.788 1.00 0.00 C ATOM 735 C GLY A 54 -2.457 -11.481 -4.311 1.00 0.00 C ATOM 736 O GLY A 54 -1.436 -10.860 -4.605 1.00 0.00 O ATOM 0 H GLY A 54 -0.294 -12.784 -4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.090 -13.525 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.662 -12.916 -2.737 1.00 0.00 H new ATOM 740 N LEU A 55 -3.676 -10.966 -4.429 1.00 0.00 N ATOM 741 CA LEU A 55 -3.889 -9.610 -4.922 1.00 0.00 C ATOM 742 C LEU A 55 -3.612 -8.583 -3.828 1.00 0.00 C ATOM 743 O LEU A 55 -4.314 -8.533 -2.817 1.00 0.00 O ATOM 744 CB LEU A 55 -5.322 -9.452 -5.435 1.00 0.00 C ATOM 745 CG LEU A 55 -5.600 -8.204 -6.274 1.00 0.00 C ATOM 746 CD1 LEU A 55 -5.253 -8.454 -7.733 1.00 0.00 C ATOM 747 CD2 LEU A 55 -7.056 -7.782 -6.134 1.00 0.00 C ATOM 0 H LEU A 55 -4.532 -11.467 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.194 -9.435 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.572 -10.330 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.995 -9.447 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.970 -7.394 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.457 -7.555 -8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.196 -8.708 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.856 -9.278 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.237 -6.892 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.703 -8.590 -6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.272 -7.561 -5.089 1.00 0.00 H new ATOM 759 N LEU A 56 -2.588 -7.765 -4.039 1.00 0.00 N ATOM 760 CA LEU A 56 -2.219 -6.736 -3.072 1.00 0.00 C ATOM 761 C LEU A 56 -3.006 -5.453 -3.315 1.00 0.00 C ATOM 762 O LEU A 56 -3.075 -4.959 -4.440 1.00 0.00 O ATOM 763 CB LEU A 56 -0.718 -6.450 -3.150 1.00 0.00 C ATOM 764 CG LEU A 56 -0.224 -5.238 -2.360 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.074 -5.624 -0.919 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.009 -4.637 -3.019 1.00 0.00 C ATOM 0 H LEU A 56 -1.998 -7.793 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.461 -7.105 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.182 -7.331 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.449 -6.310 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.013 -4.486 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.424 -4.748 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.833 -6.006 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.844 -6.395 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.346 -3.775 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.803 -5.383 -3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.762 -4.321 -4.033 1.00 0.00 H new ATOM 778 N ALA A 57 -3.597 -4.917 -2.252 1.00 0.00 N ATOM 779 CA ALA A 57 -4.376 -3.688 -2.350 1.00 0.00 C ATOM 780 C ALA A 57 -3.825 -2.614 -1.417 1.00 0.00 C ATOM 781 O ALA A 57 -3.496 -2.889 -0.263 1.00 0.00 O ATOM 782 CB ALA A 57 -5.838 -3.964 -2.035 1.00 0.00 C ATOM 0 H ALA A 57 -3.551 -5.314 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.300 -3.318 -3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.408 -3.038 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.232 -4.692 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.924 -4.360 -1.023 1.00 0.00 H new ATOM 788 N VAL A 58 -3.727 -1.390 -1.925 1.00 0.00 N ATOM 789 CA VAL A 58 -3.217 -0.274 -1.138 1.00 0.00 C ATOM 790 C VAL A 58 -4.304 0.765 -0.888 1.00 0.00 C ATOM 791 O VAL A 58 -4.901 1.290 -1.828 1.00 0.00 O ATOM 792 CB VAL A 58 -2.023 0.406 -1.835 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.566 1.622 -1.045 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.881 -0.582 -2.018 1.00 0.00 C ATOM 0 H VAL A 58 -3.994 -1.146 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.885 -0.685 -0.185 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.343 0.743 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.722 2.089 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.386 2.337 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.262 1.313 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.046 -0.085 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.559 -0.951 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.218 -1.419 -2.630 1.00 0.00 H new ATOM 804 N GLN A 59 -4.556 1.057 0.384 1.00 0.00 N ATOM 805 CA GLN A 59 -5.572 2.034 0.757 1.00 0.00 C ATOM 806 C GLN A 59 -4.972 3.142 1.616 1.00 0.00 C ATOM 807 O GLN A 59 -4.575 2.909 2.758 1.00 0.00 O ATOM 808 CB GLN A 59 -6.715 1.351 1.510 1.00 0.00 C ATOM 809 CG GLN A 59 -8.001 2.161 1.529 1.00 0.00 C ATOM 810 CD GLN A 59 -9.068 1.540 2.409 1.00 0.00 C ATOM 811 OE1 GLN A 59 -9.400 0.363 2.266 1.00 0.00 O ATOM 812 NE2 GLN A 59 -9.612 2.331 3.327 1.00 0.00 N ATOM 0 H GLN A 59 -4.071 0.631 1.173 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.964 2.480 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.913 0.382 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.400 1.160 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.786 3.169 1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.383 2.254 0.512 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.306 3.301 3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.335 1.969 3.948 1.00 0.00 H new ATOM 821 N ILE A 60 -4.910 4.347 1.060 1.00 0.00 N ATOM 822 CA ILE A 60 -4.360 5.491 1.776 1.00 0.00 C ATOM 823 C ILE A 60 -5.443 6.519 2.085 1.00 0.00 C ATOM 824 O ILE A 60 -6.178 6.950 1.197 1.00 0.00 O ATOM 825 CB ILE A 60 -3.237 6.172 0.970 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.119 5.173 0.668 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.692 7.371 1.732 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.137 5.662 -0.375 1.00 0.00 C ATOM 0 H ILE A 60 -5.234 4.556 0.116 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.947 5.110 2.710 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.649 6.524 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.579 4.955 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.561 4.237 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.899 7.842 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.494 8.090 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.292 7.041 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.372 4.903 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.664 5.853 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.667 6.582 -0.029 1.00 0.00 H new ATOM 840 N THR A 61 -5.535 6.910 3.353 1.00 0.00 N ATOM 841 CA THR A 61 -6.528 7.887 3.781 1.00 0.00 C ATOM 842 C THR A 61 -5.882 9.012 4.582 1.00 0.00 C ATOM 843 O THR A 61 -4.826 8.828 5.189 1.00 0.00 O ATOM 844 CB THR A 61 -7.630 7.232 4.635 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.052 6.279 5.533 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.661 6.545 3.752 1.00 0.00 C ATOM 0 H THR A 61 -4.934 6.565 4.101 1.00 0.00 H new ATOM 0 HA THR A 61 -6.976 8.299 2.877 1.00 0.00 H new ATOM 0 HB THR A 61 -8.129 8.014 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.759 5.868 6.073 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.429 6.090 4.377 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.120 7.279 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.173 5.773 3.156 1.00 0.00 H new ATOM 854 N ASP A 62 -6.521 10.176 4.580 1.00 0.00 N ATOM 855 CA ASP A 62 -6.009 11.331 5.308 1.00 0.00 C ATOM 856 C ASP A 62 -6.951 11.718 6.444 1.00 0.00 C ATOM 857 O ASP A 62 -7.944 11.037 6.698 1.00 0.00 O ATOM 858 CB ASP A 62 -5.820 12.516 4.360 1.00 0.00 C ATOM 859 CG ASP A 62 -7.127 13.212 4.035 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.175 12.532 4.023 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.103 14.437 3.795 1.00 0.00 O ATOM 0 H ASP A 62 -7.395 10.345 4.082 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.044 11.061 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.133 13.232 4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.357 12.168 3.436 1.00 0.00 H new ATOM 866 N GLN A 63 -6.631 12.814 7.125 1.00 0.00 N ATOM 867 CA GLN A 63 -7.448 13.290 8.235 1.00 0.00 C ATOM 868 C GLN A 63 -8.914 13.391 7.827 1.00 0.00 C ATOM 869 O GLN A 63 -9.809 13.271 8.663 1.00 0.00 O ATOM 870 CB GLN A 63 -6.945 14.651 8.718 1.00 0.00 C ATOM 871 CG GLN A 63 -7.349 15.805 7.815 1.00 0.00 C ATOM 872 CD GLN A 63 -6.648 17.100 8.173 1.00 0.00 C ATOM 873 OE1 GLN A 63 -7.272 18.045 8.655 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.342 17.150 7.938 1.00 0.00 N ATOM 0 H GLN A 63 -5.812 13.389 6.927 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.366 12.570 9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.328 14.835 9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.858 14.622 8.792 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.123 15.548 6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.427 15.951 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.865 16.343 7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.816 17.996 8.158 1.00 0.00 H new ATOM 883 N GLU A 64 -9.151 13.613 6.538 1.00 0.00 N ATOM 884 CA GLU A 64 -10.509 13.731 6.021 1.00 0.00 C ATOM 885 C GLU A 64 -11.142 12.355 5.835 1.00 0.00 C ATOM 886 O GLU A 64 -12.364 12.212 5.867 1.00 0.00 O ATOM 887 CB GLU A 64 -10.509 14.488 4.692 1.00 0.00 C ATOM 888 CG GLU A 64 -11.813 14.367 3.922 1.00 0.00 C ATOM 889 CD GLU A 64 -12.913 15.239 4.496 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.881 16.465 4.260 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.805 14.696 5.180 1.00 0.00 O ATOM 0 H GLU A 64 -8.421 13.715 5.833 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.100 14.288 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.307 15.542 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.694 14.115 4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.643 14.642 2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.139 13.327 3.928 1.00 0.00 H new ATOM 898 N GLY A 65 -10.301 11.344 5.639 1.00 0.00 N ATOM 899 CA GLY A 65 -10.795 9.993 5.450 1.00 0.00 C ATOM 900 C GLY A 65 -11.101 9.686 3.997 1.00 0.00 C ATOM 901 O GLY A 65 -11.738 8.679 3.688 1.00 0.00 O ATOM 0 H GLY A 65 -9.286 11.437 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.055 9.284 5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.697 9.852 6.046 1.00 0.00 H new ATOM 905 N LYS A 66 -10.648 10.557 3.102 1.00 0.00 N ATOM 906 CA LYS A 66 -10.876 10.375 1.674 1.00 0.00 C ATOM 907 C LYS A 66 -9.683 9.690 1.015 1.00 0.00 C ATOM 908 O LYS A 66 -8.546 9.792 1.475 1.00 0.00 O ATOM 909 CB LYS A 66 -11.137 11.725 1.002 1.00 0.00 C ATOM 910 CG LYS A 66 -9.875 12.528 0.738 1.00 0.00 C ATOM 911 CD LYS A 66 -10.191 13.988 0.458 1.00 0.00 C ATOM 912 CE LYS A 66 -9.042 14.895 0.871 1.00 0.00 C ATOM 913 NZ LYS A 66 -9.280 16.309 0.469 1.00 0.00 N ATOM 0 H LYS A 66 -10.120 11.397 3.341 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.752 9.739 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.655 11.557 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.806 12.312 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.211 12.457 1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.342 12.101 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.397 14.120 -0.604 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.095 14.276 0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.908 14.842 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.117 14.539 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.475 16.895 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.383 16.363 -0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.149 16.657 0.922 1.00 0.00 H new ATOM 927 N PRO A 67 -9.945 8.976 -0.090 1.00 0.00 N ATOM 928 CA PRO A 67 -8.905 8.263 -0.837 1.00 0.00 C ATOM 929 C PRO A 67 -7.954 9.212 -1.558 1.00 0.00 C ATOM 930 O PRO A 67 -8.384 10.076 -2.322 1.00 0.00 O ATOM 931 CB PRO A 67 -9.700 7.433 -1.848 1.00 0.00 C ATOM 932 CG PRO A 67 -10.979 8.177 -2.026 1.00 0.00 C ATOM 933 CD PRO A 67 -11.277 8.812 -0.696 1.00 0.00 C ATOM 0 HA PRO A 67 -8.269 7.668 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.163 7.338 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.878 6.423 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.886 8.932 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.783 7.505 -2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.786 9.769 -0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.922 8.180 -0.085 1.00 0.00 H new ATOM 941 N LYS A 68 -6.659 9.046 -1.310 1.00 0.00 N ATOM 942 CA LYS A 68 -5.646 9.887 -1.936 1.00 0.00 C ATOM 943 C LYS A 68 -5.137 9.256 -3.228 1.00 0.00 C ATOM 944 O LYS A 68 -5.550 8.156 -3.597 1.00 0.00 O ATOM 945 CB LYS A 68 -4.478 10.117 -0.974 1.00 0.00 C ATOM 946 CG LYS A 68 -4.727 11.229 0.030 1.00 0.00 C ATOM 947 CD LYS A 68 -4.717 12.594 -0.637 1.00 0.00 C ATOM 948 CE LYS A 68 -3.324 12.968 -1.122 1.00 0.00 C ATOM 949 NZ LYS A 68 -2.332 12.968 -0.011 1.00 0.00 N ATOM 0 H LYS A 68 -6.286 8.336 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.105 10.846 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.274 9.192 -0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.584 10.353 -1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.687 11.070 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.963 11.197 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.409 12.593 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.073 13.347 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.007 12.265 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.353 13.955 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.446 13.403 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.710 13.511 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.147 11.990 0.289 1.00 0.00 H new ATOM 963 N ARG A 69 -4.238 9.957 -3.910 1.00 0.00 N ATOM 964 CA ARG A 69 -3.673 9.464 -5.160 1.00 0.00 C ATOM 965 C ARG A 69 -2.348 8.749 -4.914 1.00 0.00 C ATOM 966 O ARG A 69 -1.361 9.369 -4.519 1.00 0.00 O ATOM 967 CB ARG A 69 -3.466 10.619 -6.142 1.00 0.00 C ATOM 968 CG ARG A 69 -3.487 10.190 -7.600 1.00 0.00 C ATOM 969 CD ARG A 69 -3.796 11.361 -8.521 1.00 0.00 C ATOM 970 NE ARG A 69 -3.179 11.202 -9.835 1.00 0.00 N ATOM 971 CZ ARG A 69 -1.905 11.480 -10.086 1.00 0.00 C ATOM 972 NH1 ARG A 69 -1.117 11.928 -9.119 1.00 0.00 N ATOM 973 NH2 ARG A 69 -1.416 11.309 -11.308 1.00 0.00 N ATOM 0 H ARG A 69 -3.885 10.868 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.376 8.751 -5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.243 11.366 -5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.512 11.101 -5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.522 9.760 -7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.234 9.409 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.876 11.456 -8.637 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.442 12.285 -8.064 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.758 10.859 -10.601 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.489 12.060 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.139 12.140 -9.315 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.019 10.964 -12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.437 11.523 -11.500 1.00 0.00 H new ATOM 987 N ALA A 70 -2.334 7.441 -5.149 1.00 0.00 N ATOM 988 CA ALA A 70 -1.130 6.642 -4.953 1.00 0.00 C ATOM 989 C ALA A 70 -0.825 5.799 -6.187 1.00 0.00 C ATOM 990 O ALA A 70 -1.732 5.405 -6.921 1.00 0.00 O ATOM 991 CB ALA A 70 -1.280 5.753 -3.728 1.00 0.00 C ATOM 0 H ALA A 70 -3.143 6.912 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.294 7.322 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.374 5.162 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.443 6.373 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.131 5.086 -3.865 1.00 0.00 H new ATOM 997 N ILE A 71 0.456 5.527 -6.409 1.00 0.00 N ATOM 998 CA ILE A 71 0.880 4.730 -7.554 1.00 0.00 C ATOM 999 C ILE A 71 1.265 3.317 -7.128 1.00 0.00 C ATOM 1000 O ILE A 71 1.835 3.114 -6.056 1.00 0.00 O ATOM 1001 CB ILE A 71 2.074 5.378 -8.280 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.732 6.812 -8.690 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.465 4.553 -9.496 1.00 0.00 C ATOM 1004 CD1 ILE A 71 2.947 7.695 -8.872 1.00 0.00 C ATOM 0 H ILE A 71 1.219 5.846 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 71 0.032 4.683 -8.237 1.00 0.00 H new ATOM 0 HB ILE A 71 2.923 5.408 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.166 6.790 -9.621 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.083 7.253 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.310 5.024 -9.999 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.745 3.548 -9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.621 4.495 -10.183 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.629 8.696 -9.162 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.502 7.748 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.587 7.278 -9.650 1.00 0.00 H new ATOM 1016 N VAL A 72 0.950 2.343 -7.976 1.00 0.00 N ATOM 1017 CA VAL A 72 1.265 0.949 -7.690 1.00 0.00 C ATOM 1018 C VAL A 72 2.347 0.426 -8.628 1.00 0.00 C ATOM 1019 O VAL A 72 2.157 0.370 -9.843 1.00 0.00 O ATOM 1020 CB VAL A 72 0.017 0.055 -7.815 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.729 0.356 -9.106 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.406 -1.414 -7.744 1.00 0.00 C ATOM 0 H VAL A 72 0.477 2.494 -8.867 1.00 0.00 H new ATOM 0 HA VAL A 72 1.629 0.911 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.649 0.272 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.608 -0.285 -9.177 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.041 1.400 -9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.074 0.169 -9.957 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.488 -2.032 -7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.093 -1.648 -8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.892 -1.616 -6.790 1.00 0.00 H new ATOM 1032 N HIS A 73 3.484 0.044 -8.055 1.00 0.00 N ATOM 1033 CA HIS A 73 4.598 -0.476 -8.840 1.00 0.00 C ATOM 1034 C HIS A 73 4.682 -1.995 -8.725 1.00 0.00 C ATOM 1035 O HIS A 73 4.805 -2.538 -7.627 1.00 0.00 O ATOM 1036 CB HIS A 73 5.913 0.155 -8.380 1.00 0.00 C ATOM 1037 CG HIS A 73 6.934 0.274 -9.469 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.005 1.359 -10.318 1.00 0.00 N ATOM 1039 CD2 HIS A 73 7.930 -0.562 -9.844 1.00 0.00 C ATOM 1040 CE1 HIS A 73 8.000 1.183 -11.170 1.00 0.00 C ATOM 1041 NE2 HIS A 73 8.577 0.026 -10.903 1.00 0.00 N ATOM 0 H HIS A 73 3.658 0.085 -7.051 1.00 0.00 H new ATOM 0 HA HIS A 73 4.425 -0.217 -9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.709 1.146 -7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.328 -0.442 -7.568 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.171 -1.514 -9.394 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.291 1.869 -11.952 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.374 -0.368 -11.403 1.00 0.00 H new ATOM 1049 N ASP A 74 4.614 -2.674 -9.865 1.00 0.00 N ATOM 1050 CA ASP A 74 4.682 -4.131 -9.892 1.00 0.00 C ATOM 1051 C ASP A 74 6.073 -4.602 -10.305 1.00 0.00 C ATOM 1052 O ASP A 74 6.491 -4.409 -11.446 1.00 0.00 O ATOM 1053 CB ASP A 74 3.633 -4.694 -10.851 1.00 0.00 C ATOM 1054 CG ASP A 74 3.978 -4.433 -12.304 1.00 0.00 C ATOM 1055 OD1 ASP A 74 3.897 -3.263 -12.733 1.00 0.00 O ATOM 1056 OD2 ASP A 74 4.329 -5.399 -13.013 1.00 0.00 O ATOM 0 H ASP A 74 4.512 -2.239 -10.782 1.00 0.00 H new ATOM 0 HA ASP A 74 4.477 -4.499 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.537 -5.768 -10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.663 -4.250 -10.625 1.00 0.00 H new ATOM 1061 N ASN A 75 6.785 -5.220 -9.369 1.00 0.00 N ATOM 1062 CA ASN A 75 8.130 -5.718 -9.636 1.00 0.00 C ATOM 1063 C ASN A 75 8.092 -7.176 -10.082 1.00 0.00 C ATOM 1064 O ASN A 75 8.952 -7.629 -10.837 1.00 0.00 O ATOM 1065 CB ASN A 75 9.005 -5.577 -8.388 1.00 0.00 C ATOM 1066 CG ASN A 75 8.925 -4.190 -7.780 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.255 -3.196 -8.427 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.486 -4.118 -6.529 1.00 0.00 N ATOM 0 H ASN A 75 6.454 -5.388 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 75 8.558 -5.122 -10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.697 -6.314 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.040 -5.798 -8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.411 -3.212 -6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.223 -4.969 -6.031 1.00 0.00 H new ATOM 1075 N LYS A 76 7.088 -7.908 -9.609 1.00 0.00 N ATOM 1076 CA LYS A 76 6.935 -9.315 -9.960 1.00 0.00 C ATOM 1077 C LYS A 76 8.180 -10.109 -9.578 1.00 0.00 C ATOM 1078 O LYS A 76 8.487 -11.132 -10.190 1.00 0.00 O ATOM 1079 CB LYS A 76 6.663 -9.461 -11.459 1.00 0.00 C ATOM 1080 CG LYS A 76 5.413 -8.736 -11.924 1.00 0.00 C ATOM 1081 CD LYS A 76 4.153 -9.491 -11.535 1.00 0.00 C ATOM 1082 CE LYS A 76 3.941 -10.713 -12.415 1.00 0.00 C ATOM 1083 NZ LYS A 76 3.303 -10.358 -13.713 1.00 0.00 N ATOM 0 H LYS A 76 6.368 -7.550 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 76 6.087 -9.713 -9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.521 -9.081 -12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.570 -10.520 -11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.388 -7.737 -11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.445 -8.612 -13.006 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.220 -9.800 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.291 -8.829 -11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.900 -11.197 -12.602 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.317 -11.435 -11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.176 -11.218 -14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.377 -9.919 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.911 -9.688 -14.227 1.00 0.00 H new ATOM 1097 N ASP A 77 8.892 -9.632 -8.563 1.00 0.00 N ATOM 1098 CA ASP A 77 10.103 -10.300 -8.098 1.00 0.00 C ATOM 1099 C ASP A 77 9.986 -10.672 -6.624 1.00 0.00 C ATOM 1100 O ASP A 77 10.990 -10.839 -5.933 1.00 0.00 O ATOM 1101 CB ASP A 77 11.321 -9.401 -8.315 1.00 0.00 C ATOM 1102 CG ASP A 77 11.679 -9.255 -9.781 1.00 0.00 C ATOM 1103 OD1 ASP A 77 11.726 -10.284 -10.487 1.00 0.00 O ATOM 1104 OD2 ASP A 77 11.911 -8.110 -10.223 1.00 0.00 O ATOM 0 H ASP A 77 8.652 -8.786 -8.046 1.00 0.00 H new ATOM 0 HA ASP A 77 10.229 -11.215 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.122 -8.416 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.174 -9.813 -7.775 1.00 0.00 H new ATOM 1109 N GLY A 78 8.751 -10.800 -6.147 1.00 0.00 N ATOM 1110 CA GLY A 78 8.525 -11.150 -4.757 1.00 0.00 C ATOM 1111 C GLY A 78 8.230 -9.939 -3.894 1.00 0.00 C ATOM 1112 O GLY A 78 7.585 -10.052 -2.851 1.00 0.00 O ATOM 0 H GLY A 78 7.903 -10.667 -6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.692 -11.850 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.404 -11.664 -4.368 1.00 0.00 H new ATOM 1116 N THR A 79 8.705 -8.776 -4.328 1.00 0.00 N ATOM 1117 CA THR A 79 8.491 -7.539 -3.587 1.00 0.00 C ATOM 1118 C THR A 79 7.543 -6.607 -4.334 1.00 0.00 C ATOM 1119 O THR A 79 7.107 -6.910 -5.445 1.00 0.00 O ATOM 1120 CB THR A 79 9.818 -6.802 -3.329 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.367 -6.332 -4.565 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.820 -7.716 -2.639 1.00 0.00 C ATOM 0 H THR A 79 9.241 -8.665 -5.189 1.00 0.00 H new ATOM 0 HA THR A 79 8.046 -7.817 -2.632 1.00 0.00 H new ATOM 0 HB THR A 79 9.614 -5.953 -2.676 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.210 -5.863 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.749 -7.173 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.412 -8.048 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.017 -8.582 -3.270 1.00 0.00 H new ATOM 1130 N TYR A 80 7.227 -5.474 -3.717 1.00 0.00 N ATOM 1131 CA TYR A 80 6.329 -4.499 -4.323 1.00 0.00 C ATOM 1132 C TYR A 80 6.688 -3.082 -3.887 1.00 0.00 C ATOM 1133 O TYR A 80 7.088 -2.855 -2.745 1.00 0.00 O ATOM 1134 CB TYR A 80 4.878 -4.808 -3.948 1.00 0.00 C ATOM 1135 CG TYR A 80 4.378 -6.124 -4.499 1.00 0.00 C ATOM 1136 CD1 TYR A 80 4.580 -7.311 -3.806 1.00 0.00 C ATOM 1137 CD2 TYR A 80 3.702 -6.180 -5.712 1.00 0.00 C ATOM 1138 CE1 TYR A 80 4.125 -8.516 -4.306 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.242 -7.380 -6.219 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.456 -8.545 -5.512 1.00 0.00 C ATOM 1141 OH TYR A 80 3.000 -9.743 -6.013 1.00 0.00 O ATOM 0 H TYR A 80 7.580 -5.208 -2.797 1.00 0.00 H new ATOM 0 HA TYR A 80 6.440 -4.565 -5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.787 -4.820 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.238 -4.004 -4.313 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.102 -7.292 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.533 -5.270 -6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 80 4.292 -9.430 -3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.718 -7.406 -7.163 1.00 0.00 H new ATOM 0 HH TYR A 80 2.550 -9.589 -6.870 1.00 0.00 H new ATOM 1151 N ALA A 81 6.541 -2.132 -4.804 1.00 0.00 N ATOM 1152 CA ALA A 81 6.847 -0.736 -4.514 1.00 0.00 C ATOM 1153 C ALA A 81 5.624 0.150 -4.731 1.00 0.00 C ATOM 1154 O ALA A 81 4.915 0.014 -5.728 1.00 0.00 O ATOM 1155 CB ALA A 81 8.006 -0.260 -5.377 1.00 0.00 C ATOM 0 H ALA A 81 6.212 -2.303 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 81 7.135 -0.662 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.224 0.784 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.887 -0.868 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.739 -0.354 -6.429 1.00 0.00 H new ATOM 1161 N VAL A 82 5.383 1.057 -3.790 1.00 0.00 N ATOM 1162 CA VAL A 82 4.247 1.966 -3.878 1.00 0.00 C ATOM 1163 C VAL A 82 4.667 3.402 -3.582 1.00 0.00 C ATOM 1164 O VAL A 82 5.263 3.685 -2.542 1.00 0.00 O ATOM 1165 CB VAL A 82 3.126 1.560 -2.903 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.950 2.518 -3.011 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.684 0.128 -3.167 1.00 0.00 C ATOM 0 H VAL A 82 5.959 1.182 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 82 3.871 1.904 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 82 3.515 1.615 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.168 2.215 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.280 3.528 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.557 2.499 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.891 -0.143 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.313 0.044 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.531 -0.545 -3.033 1.00 0.00 H new ATOM 1177 N THR A 83 4.351 4.307 -4.504 1.00 0.00 N ATOM 1178 CA THR A 83 4.696 5.714 -4.343 1.00 0.00 C ATOM 1179 C THR A 83 3.478 6.535 -3.937 1.00 0.00 C ATOM 1180 O THR A 83 2.375 6.318 -4.439 1.00 0.00 O ATOM 1181 CB THR A 83 5.288 6.299 -5.639 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.330 5.448 -6.130 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.838 7.697 -5.400 1.00 0.00 C ATOM 0 H THR A 83 3.857 4.090 -5.370 1.00 0.00 H new ATOM 0 HA THR A 83 5.446 5.768 -3.554 1.00 0.00 H new ATOM 0 HB THR A 83 4.491 6.361 -6.380 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.700 5.826 -6.955 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.251 8.089 -6.329 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.036 8.350 -5.055 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.622 7.655 -4.644 1.00 0.00 H new ATOM 1191 N TYR A 84 3.685 7.480 -3.026 1.00 0.00 N ATOM 1192 CA TYR A 84 2.602 8.334 -2.551 1.00 0.00 C ATOM 1193 C TYR A 84 3.129 9.706 -2.144 1.00 0.00 C ATOM 1194 O TYR A 84 4.062 9.813 -1.346 1.00 0.00 O ATOM 1195 CB TYR A 84 1.888 7.677 -1.369 1.00 0.00 C ATOM 1196 CG TYR A 84 2.582 7.899 -0.044 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.293 9.012 0.736 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.526 6.996 0.428 1.00 0.00 C ATOM 1199 CE1 TYR A 84 2.925 9.219 1.947 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.162 7.194 1.638 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.858 8.307 2.394 1.00 0.00 C ATOM 1202 OH TYR A 84 4.490 8.509 3.600 1.00 0.00 O ATOM 0 H TYR A 84 4.592 7.674 -2.602 1.00 0.00 H new ATOM 0 HA TYR A 84 1.892 8.466 -3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.872 8.066 -1.307 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.808 6.606 -1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.562 9.727 0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.767 6.124 -0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.690 10.090 2.540 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.893 6.481 1.990 1.00 0.00 H new ATOM 0 HH TYR A 84 4.705 7.643 4.006 1.00 0.00 H new ATOM 1212 N ILE A 85 2.525 10.753 -2.696 1.00 0.00 N ATOM 1213 CA ILE A 85 2.932 12.118 -2.389 1.00 0.00 C ATOM 1214 C ILE A 85 1.894 12.818 -1.517 1.00 0.00 C ATOM 1215 O ILE A 85 0.893 13.346 -2.003 1.00 0.00 O ATOM 1216 CB ILE A 85 3.148 12.943 -3.672 1.00 0.00 C ATOM 1217 CG1 ILE A 85 4.252 12.317 -4.526 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.492 14.383 -3.324 1.00 0.00 C ATOM 1219 CD1 ILE A 85 4.135 12.643 -5.999 1.00 0.00 C ATOM 0 H ILE A 85 1.752 10.682 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 85 3.875 12.052 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 85 2.223 12.941 -4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.220 12.660 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.229 11.235 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.642 14.953 -4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.676 14.824 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.405 14.405 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.950 12.166 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.182 12.275 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.189 13.723 -6.138 1.00 0.00 H new ATOM 1231 N PRO A 86 2.138 12.825 -0.198 1.00 0.00 N ATOM 1232 CA PRO A 86 1.237 13.459 0.769 1.00 0.00 C ATOM 1233 C PRO A 86 1.247 14.980 0.660 1.00 0.00 C ATOM 1234 O PRO A 86 2.217 15.633 1.044 1.00 0.00 O ATOM 1235 CB PRO A 86 1.802 13.016 2.122 1.00 0.00 C ATOM 1236 CG PRO A 86 3.241 12.737 1.858 1.00 0.00 C ATOM 1237 CD PRO A 86 3.311 12.215 0.450 1.00 0.00 C ATOM 0 HA PRO A 86 0.198 13.170 0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.681 13.794 2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.289 12.130 2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.840 13.641 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.633 12.006 2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.239 12.507 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.265 11.126 0.422 1.00 0.00 H new ATOM 1245 N ASP A 87 0.161 15.537 0.135 1.00 0.00 N ATOM 1246 CA ASP A 87 0.044 16.982 -0.023 1.00 0.00 C ATOM 1247 C ASP A 87 -0.432 17.634 1.272 1.00 0.00 C ATOM 1248 O ASP A 87 0.021 18.718 1.637 1.00 0.00 O ATOM 1249 CB ASP A 87 -0.921 17.315 -1.162 1.00 0.00 C ATOM 1250 CG ASP A 87 -2.358 17.420 -0.690 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -3.006 16.365 -0.521 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.835 18.556 -0.490 1.00 0.00 O ATOM 0 H ASP A 87 -0.650 15.010 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 87 1.030 17.377 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.623 18.257 -1.623 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.849 16.546 -1.932 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.350 16.965 1.961 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.890 17.477 3.215 1.00 0.00 C ATOM 1259 C LYS A 88 -1.091 16.954 4.405 1.00 0.00 C ATOM 1260 O LYS A 88 -0.700 15.787 4.439 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.361 17.081 3.362 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.263 17.695 2.305 1.00 0.00 C ATOM 1263 CD LYS A 88 -4.491 19.176 2.558 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.782 19.659 1.914 1.00 0.00 C ATOM 1265 NZ LYS A 88 -6.980 19.248 2.697 1.00 0.00 N ATOM 0 H LYS A 88 -1.736 16.066 1.672 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.813 18.564 3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.443 15.995 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.713 17.383 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.817 17.558 1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.221 17.175 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.527 19.362 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.651 19.747 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.760 20.745 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.855 19.260 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.828 19.694 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.081 18.214 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.868 19.549 3.686 1.00 0.00 H new ATOM 1279 N THR A 89 -0.852 17.825 5.381 1.00 0.00 N ATOM 1280 CA THR A 89 -0.100 17.451 6.572 1.00 0.00 C ATOM 1281 C THR A 89 -1.035 17.090 7.721 1.00 0.00 C ATOM 1282 O THR A 89 -1.957 17.838 8.042 1.00 0.00 O ATOM 1283 CB THR A 89 0.836 18.587 7.025 1.00 0.00 C ATOM 1284 OG1 THR A 89 0.091 19.798 7.196 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.948 18.809 6.010 1.00 0.00 C ATOM 0 H THR A 89 -1.169 18.795 5.370 1.00 0.00 H new ATOM 0 HA THR A 89 0.500 16.580 6.307 1.00 0.00 H new ATOM 0 HB THR A 89 1.285 18.300 7.976 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.824 19.583 7.474 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.596 19.616 6.351 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.532 17.895 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.513 19.076 5.047 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.789 15.938 8.338 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.617 15.498 9.445 1.00 0.00 C ATOM 1295 C GLY A 90 -1.430 14.027 9.761 1.00 0.00 C ATOM 1296 O GLY A 90 -0.309 13.572 9.988 1.00 0.00 O ATOM 0 H GLY A 90 -0.031 15.302 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.380 16.089 10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.664 15.685 9.208 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.531 13.282 9.776 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.483 11.855 10.069 1.00 0.00 C ATOM 1302 C ARG A 91 -2.804 11.033 8.824 1.00 0.00 C ATOM 1303 O ARG A 91 -3.751 11.333 8.097 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.467 11.509 11.188 1.00 0.00 C ATOM 1305 CG ARG A 91 -4.924 11.698 10.799 1.00 0.00 C ATOM 1306 CD ARG A 91 -5.834 11.672 12.017 1.00 0.00 C ATOM 1307 NE ARG A 91 -7.240 11.537 11.646 1.00 0.00 N ATOM 1308 CZ ARG A 91 -8.246 11.804 12.471 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -8.003 12.218 13.707 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -9.499 11.656 12.060 1.00 0.00 N ATOM 0 H ARG A 91 -3.466 13.643 9.589 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.472 11.611 10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.312 10.473 11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.248 12.130 12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.042 12.647 10.276 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.221 10.912 10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.549 10.843 12.665 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.697 12.588 12.592 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.461 11.220 10.702 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.041 12.332 14.027 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.778 12.422 14.338 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.690 11.337 11.110 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.271 11.861 12.694 1.00 0.00 H new ATOM 1324 N TYR A 92 -2.008 9.997 8.585 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.205 9.133 7.426 1.00 0.00 C ATOM 1326 C TYR A 92 -2.344 7.675 7.851 1.00 0.00 C ATOM 1327 O TYR A 92 -1.531 7.160 8.617 1.00 0.00 O ATOM 1328 CB TYR A 92 -1.038 9.282 6.449 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.151 10.494 5.551 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.824 10.424 4.338 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.583 11.709 5.916 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.929 11.528 3.514 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.684 12.818 5.100 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.358 12.723 3.900 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.460 13.826 3.083 1.00 0.00 O ATOM 0 H TYR A 92 -1.220 9.735 9.178 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.127 9.437 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.108 9.344 7.014 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.976 8.387 5.831 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.273 9.490 4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.054 11.787 6.854 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.455 11.456 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.238 13.755 5.399 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.863 14.531 3.409 1.00 0.00 H new ATOM 1345 N MET A 93 -3.382 7.015 7.346 1.00 0.00 N ATOM 1346 CA MET A 93 -3.628 5.615 7.672 1.00 0.00 C ATOM 1347 C MET A 93 -3.597 4.751 6.415 1.00 0.00 C ATOM 1348 O MET A 93 -4.377 4.964 5.485 1.00 0.00 O ATOM 1349 CB MET A 93 -4.976 5.462 8.377 1.00 0.00 C ATOM 1350 CG MET A 93 -5.093 4.187 9.196 1.00 0.00 C ATOM 1351 SD MET A 93 -6.177 4.376 10.625 1.00 0.00 S ATOM 1352 CE MET A 93 -5.099 5.253 11.755 1.00 0.00 C ATOM 0 H MET A 93 -4.065 7.427 6.710 1.00 0.00 H new ATOM 0 HA MET A 93 -2.836 5.280 8.342 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.134 6.320 9.031 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.771 5.479 7.631 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.471 3.386 8.561 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.102 3.885 9.534 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.061 4.723 12.707 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.096 5.310 11.331 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.482 6.261 11.916 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.693 3.778 6.392 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.563 2.883 5.249 1.00 0.00 C ATOM 1364 C ILE A 94 -3.020 1.471 5.602 1.00 0.00 C ATOM 1365 O ILE A 94 -2.432 0.812 6.458 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.110 2.827 4.740 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.608 4.235 4.412 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.011 1.926 3.519 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.891 4.387 4.543 1.00 0.00 C ATOM 0 H ILE A 94 -2.039 3.589 7.152 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.201 3.283 4.461 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.480 2.410 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.903 4.489 3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.097 4.950 5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.022 1.897 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.334 0.919 3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.650 2.316 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.176 5.410 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.191 4.164 5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.388 3.697 3.861 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.074 1.012 4.933 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.591 -0.320 5.188 1.00 0.00 C ATOM 1383 C GLY A 95 -4.215 -1.306 4.100 1.00 0.00 C ATOM 1384 O GLY A 95 -4.915 -1.430 3.095 1.00 0.00 O ATOM 0 H GLY A 95 -4.578 1.538 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.210 -0.677 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.677 -0.275 5.274 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.105 -2.009 4.300 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.636 -2.989 3.328 1.00 0.00 C ATOM 1390 C VAL A 96 -3.367 -4.317 3.489 1.00 0.00 C ATOM 1391 O VAL A 96 -3.504 -4.833 4.599 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.120 -3.231 3.461 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.663 -4.302 2.483 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.353 -1.936 3.243 1.00 0.00 C ATOM 0 H VAL A 96 -2.514 -1.918 5.126 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.846 -2.579 2.340 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.913 -3.583 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.410 -4.459 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.189 -5.233 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.882 -3.982 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.716 -2.125 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.564 -1.552 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.661 -1.201 3.987 1.00 0.00 H new ATOM 1404 N THR A 97 -3.836 -4.868 2.374 1.00 0.00 N ATOM 1405 CA THR A 97 -4.555 -6.136 2.391 1.00 0.00 C ATOM 1406 C THR A 97 -3.961 -7.118 1.388 1.00 0.00 C ATOM 1407 O THR A 97 -3.442 -6.718 0.346 1.00 0.00 O ATOM 1408 CB THR A 97 -6.050 -5.938 2.076 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.201 -5.191 0.864 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.752 -5.214 3.215 1.00 0.00 C ATOM 0 H THR A 97 -3.731 -4.456 1.447 1.00 0.00 H new ATOM 0 HA THR A 97 -4.454 -6.543 3.397 1.00 0.00 H new ATOM 0 HB THR A 97 -6.506 -6.921 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.982 -4.250 1.030 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.806 -5.086 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.661 -5.800 4.130 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.292 -4.237 3.363 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.042 -8.405 1.708 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.511 -9.444 0.835 1.00 0.00 C ATOM 1420 C TYR A 98 -4.506 -10.591 0.685 1.00 0.00 C ATOM 1421 O TYR A 98 -4.858 -11.254 1.660 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.185 -9.973 1.384 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.242 -10.473 0.313 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.496 -9.585 -0.452 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.096 -11.833 0.068 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.366 -10.037 -1.432 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.234 -12.294 -0.908 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.494 -11.392 -1.656 1.00 0.00 C ATOM 1429 OH TYR A 98 1.353 -11.847 -2.630 1.00 0.00 O ATOM 0 H TYR A 98 -4.470 -8.753 2.566 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.340 -9.004 -0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.693 -9.181 1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.389 -10.783 2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.592 -8.524 -0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.666 -12.542 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.937 -9.333 -2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.131 -13.354 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 98 1.511 -12.806 -2.505 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.957 -10.818 -0.545 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.906 -11.885 -0.802 1.00 0.00 C ATOM 1441 C GLY A 99 -7.192 -11.718 -0.017 1.00 0.00 C ATOM 1442 O GLY A 99 -7.725 -12.683 0.529 1.00 0.00 O ATOM 0 H GLY A 99 -4.682 -10.282 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.135 -11.914 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.450 -12.842 -0.547 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.693 -10.487 0.041 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.919 -10.219 0.769 1.00 0.00 C ATOM 1448 C GLY A 100 -8.755 -10.392 2.266 1.00 0.00 C ATOM 1449 O GLY A 100 -9.699 -10.766 2.962 1.00 0.00 O ATOM 0 H GLY A 100 -7.271 -9.671 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.248 -9.201 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.703 -10.888 0.413 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.552 -10.122 2.763 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.267 -10.250 4.187 1.00 0.00 C ATOM 1455 C ASP A 101 -6.260 -9.196 4.637 1.00 0.00 C ATOM 1456 O ASP A 101 -5.118 -9.178 4.176 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.733 -11.649 4.498 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.843 -12.657 4.721 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.459 -13.090 3.725 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.098 -13.011 5.891 1.00 0.00 O ATOM 0 H ASP A 101 -6.759 -9.813 2.200 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.197 -10.094 4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.102 -11.985 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.103 -11.605 5.386 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.691 -8.320 5.537 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.827 -7.263 6.049 1.00 0.00 C ATOM 1467 C ASP A 102 -4.716 -7.842 6.920 1.00 0.00 C ATOM 1468 O ASP A 102 -4.968 -8.674 7.792 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.645 -6.250 6.852 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.849 -6.881 7.523 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.658 -7.611 8.518 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.982 -6.645 7.054 1.00 0.00 O ATOM 0 H ASP A 102 -7.633 -8.321 5.927 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.371 -6.758 5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.009 -5.792 7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.979 -5.451 6.190 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.488 -7.398 6.677 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.339 -7.872 7.438 1.00 0.00 C ATOM 1479 C ILE A 103 -2.437 -7.449 8.900 1.00 0.00 C ATOM 1480 O ILE A 103 -3.084 -6.460 9.245 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.017 -7.346 6.850 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.123 -5.847 6.561 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.658 -8.111 5.585 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.203 -5.200 6.231 1.00 0.00 C ATOM 0 H ILE A 103 -3.263 -6.710 5.958 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.346 -8.960 7.375 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.224 -7.501 7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.810 -5.693 5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.556 -5.348 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.279 -7.727 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.546 -9.170 5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.450 -7.985 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.052 -4.138 6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.886 -5.322 7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.628 -5.673 5.346 1.00 0.00 H new ATOM 1496 N PRO A 104 -1.777 -8.214 9.783 1.00 0.00 N ATOM 1497 CA PRO A 104 -1.771 -7.937 11.222 1.00 0.00 C ATOM 1498 C PRO A 104 -0.977 -6.682 11.568 1.00 0.00 C ATOM 1499 O PRO A 104 -0.826 -6.333 12.740 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.100 -9.176 11.819 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.251 -9.714 10.720 1.00 0.00 C ATOM 1502 CD PRO A 104 -0.984 -9.408 9.443 1.00 0.00 C ATOM 0 HA PRO A 104 -2.775 -7.752 11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -0.501 -8.919 12.693 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -1.839 -9.909 12.143 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.735 -9.249 10.725 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.098 -10.787 10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.295 -9.212 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -1.620 -10.238 9.135 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.472 -6.005 10.542 1.00 0.00 N ATOM 1511 CA LEU A 105 0.306 -4.787 10.737 1.00 0.00 C ATOM 1512 C LEU A 105 -0.548 -3.549 10.485 1.00 0.00 C ATOM 1513 O LEU A 105 -0.302 -2.487 11.056 1.00 0.00 O ATOM 1514 CB LEU A 105 1.521 -4.781 9.808 1.00 0.00 C ATOM 1515 CG LEU A 105 2.428 -6.010 9.881 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.420 -6.010 8.728 1.00 0.00 C ATOM 1517 CD2 LEU A 105 3.158 -6.057 11.215 1.00 0.00 C ATOM 0 H LEU A 105 -0.588 -6.279 9.566 1.00 0.00 H new ATOM 0 HA LEU A 105 0.648 -4.765 11.772 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.168 -4.675 8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.120 -3.898 10.032 1.00 0.00 H new ATOM 0 HG LEU A 105 1.806 -6.902 9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.057 -6.892 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.879 -6.026 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.036 -5.112 8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.798 -6.938 11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.768 -5.161 11.328 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.431 -6.106 12.026 1.00 0.00 H new ATOM 1529 N SER A 106 -1.553 -3.694 9.627 1.00 0.00 N ATOM 1530 CA SER A 106 -2.442 -2.587 9.298 1.00 0.00 C ATOM 1531 C SER A 106 -3.548 -2.450 10.340 1.00 0.00 C ATOM 1532 O SER A 106 -3.917 -3.407 11.021 1.00 0.00 O ATOM 1533 CB SER A 106 -3.056 -2.793 7.911 1.00 0.00 C ATOM 1534 OG SER A 106 -4.288 -3.488 7.997 1.00 0.00 O ATOM 0 H SER A 106 -1.771 -4.567 9.147 1.00 0.00 H new ATOM 0 HA SER A 106 -1.853 -1.670 9.295 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.213 -1.827 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.363 -3.352 7.282 1.00 0.00 H new ATOM 0 HG SER A 106 -4.661 -3.606 7.098 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.090 -1.229 10.470 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.658 -0.082 9.666 1.00 0.00 C ATOM 1542 C PRO A 107 -2.258 0.393 10.038 1.00 0.00 C ATOM 1543 O PRO A 107 -1.598 -0.199 10.893 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.694 0.994 9.999 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.201 0.626 11.350 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.165 -0.876 11.411 1.00 0.00 C ATOM 0 HA PRO A 107 -3.602 -0.326 8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.246 1.988 10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.499 1.009 9.265 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.580 1.063 12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.214 0.999 11.501 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -4.950 -1.232 12.418 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.118 -1.313 11.115 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.810 1.464 9.393 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.487 2.017 9.655 1.00 0.00 C ATOM 1556 C TYR A 108 -0.581 3.483 10.067 1.00 0.00 C ATOM 1557 O TYR A 108 -1.168 4.302 9.360 1.00 0.00 O ATOM 1558 CB TYR A 108 0.401 1.880 8.417 1.00 0.00 C ATOM 1559 CG TYR A 108 1.202 0.597 8.385 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.585 -0.624 8.145 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.575 0.608 8.595 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.312 -1.798 8.116 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.311 -0.561 8.566 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.675 -1.762 8.326 1.00 0.00 C ATOM 1565 OH TYR A 108 3.403 -2.929 8.296 1.00 0.00 O ATOM 0 H TYR A 108 -2.344 1.967 8.684 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.043 1.455 10.477 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.223 1.931 7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.086 2.727 8.376 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.482 -0.656 7.978 1.00 0.00 H new ATOM 0 HD2 TYR A 108 3.076 1.546 8.784 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.816 -2.739 7.930 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.378 -0.535 8.730 1.00 0.00 H new ATOM 0 HH TYR A 108 4.348 -2.729 8.462 1.00 0.00 H new ATOM 1575 N ARG A 109 0.003 3.806 11.217 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.015 5.173 11.725 1.00 0.00 C ATOM 1577 C ARG A 109 1.232 5.933 11.283 1.00 0.00 C ATOM 1578 O ARG A 109 2.357 5.508 11.548 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.110 5.170 13.252 1.00 0.00 C ATOM 1580 CG ARG A 109 0.901 4.255 13.923 1.00 0.00 C ATOM 1581 CD ARG A 109 0.802 4.333 15.439 1.00 0.00 C ATOM 1582 NE ARG A 109 1.607 3.305 16.093 1.00 0.00 N ATOM 1583 CZ ARG A 109 2.034 3.395 17.348 1.00 0.00 C ATOM 1584 NH1 ARG A 109 1.735 4.459 18.079 1.00 0.00 N ATOM 1585 NH2 ARG A 109 2.762 2.417 17.873 1.00 0.00 N ATOM 0 H ARG A 109 0.494 3.140 11.814 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.890 5.676 11.314 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.033 6.186 13.619 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.114 4.864 13.545 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.735 3.228 13.599 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.908 4.530 13.608 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.129 5.317 15.774 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.240 4.224 15.740 1.00 0.00 H new ATOM 0 HE ARG A 109 1.855 2.473 15.558 1.00 0.00 H new ATOM 0 HH11 ARG A 109 1.175 5.212 17.679 1.00 0.00 H new ATOM 0 HH12 ARG A 109 2.064 4.525 19.042 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.994 1.597 17.313 1.00 0.00 H new ATOM 0 HH22 ARG A 109 3.090 2.486 18.836 1.00 0.00 H new ATOM 1599 N ILE A 110 1.024 7.059 10.608 1.00 0.00 N ATOM 1600 CA ILE A 110 2.130 7.878 10.130 1.00 0.00 C ATOM 1601 C ILE A 110 1.805 9.363 10.246 1.00 0.00 C ATOM 1602 O ILE A 110 0.638 9.752 10.290 1.00 0.00 O ATOM 1603 CB ILE A 110 2.480 7.554 8.666 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.582 6.040 8.466 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.781 8.234 8.269 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.883 5.637 7.040 1.00 0.00 C ATOM 0 H ILE A 110 0.099 7.424 10.380 1.00 0.00 H new ATOM 0 HA ILE A 110 2.989 7.646 10.760 1.00 0.00 H new ATOM 0 HB ILE A 110 1.684 7.934 8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.362 5.647 9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.645 5.577 8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.015 7.995 7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.675 9.313 8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.587 7.882 8.913 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.941 4.551 6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.091 5.999 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.835 6.071 6.733 1.00 0.00 H new ATOM 1618 N ARG A 111 2.845 10.189 10.295 1.00 0.00 N ATOM 1619 CA ARG A 111 2.670 11.632 10.405 1.00 0.00 C ATOM 1620 C ARG A 111 3.565 12.366 9.411 1.00 0.00 C ATOM 1621 O ARG A 111 4.777 12.155 9.378 1.00 0.00 O ATOM 1622 CB ARG A 111 2.983 12.098 11.829 1.00 0.00 C ATOM 1623 CG ARG A 111 2.098 11.459 12.887 1.00 0.00 C ATOM 1624 CD ARG A 111 2.604 10.080 13.277 1.00 0.00 C ATOM 1625 NE ARG A 111 2.185 9.704 14.625 1.00 0.00 N ATOM 1626 CZ ARG A 111 2.138 8.448 15.056 1.00 0.00 C ATOM 1627 NH1 ARG A 111 2.483 7.453 14.251 1.00 0.00 N ATOM 1628 NH2 ARG A 111 1.746 8.186 16.297 1.00 0.00 N ATOM 0 H ARG A 111 3.818 9.883 10.260 1.00 0.00 H new ATOM 0 HA ARG A 111 1.631 11.865 10.173 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.025 11.873 12.055 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.872 13.181 11.880 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.064 12.098 13.769 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.078 11.381 12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.234 9.343 12.564 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.692 10.063 13.218 1.00 0.00 H new ATOM 0 HE ARG A 111 1.914 10.446 15.270 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.786 7.650 13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.446 6.490 14.585 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.481 8.949 16.920 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.710 7.222 16.628 1.00 0.00 H new ATOM 1642 N ALA A 112 2.958 13.228 8.601 1.00 0.00 N ATOM 1643 CA ALA A 112 3.699 13.993 7.606 1.00 0.00 C ATOM 1644 C ALA A 112 4.371 15.208 8.238 1.00 0.00 C ATOM 1645 O ALA A 112 3.703 16.162 8.640 1.00 0.00 O ATOM 1646 CB ALA A 112 2.776 14.426 6.477 1.00 0.00 C ATOM 0 H ALA A 112 1.955 13.414 8.615 1.00 0.00 H new ATOM 0 HA ALA A 112 4.478 13.350 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.343 14.996 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.346 13.545 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.976 15.047 6.879 1.00 0.00 H new ATOM 1652 N THR A 113 5.697 15.168 8.323 1.00 0.00 N ATOM 1653 CA THR A 113 6.459 16.265 8.907 1.00 0.00 C ATOM 1654 C THR A 113 6.627 17.408 7.913 1.00 0.00 C ATOM 1655 O THR A 113 7.258 17.246 6.869 1.00 0.00 O ATOM 1656 CB THR A 113 7.849 15.796 9.375 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.601 15.305 8.259 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.727 14.707 10.430 1.00 0.00 C ATOM 0 H THR A 113 6.266 14.387 7.995 1.00 0.00 H new ATOM 0 HA THR A 113 5.894 16.619 9.770 1.00 0.00 H new ATOM 0 HB THR A 113 8.367 16.648 9.815 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.080 14.620 7.790 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.722 14.392 10.745 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.180 15.093 11.290 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.192 13.854 10.012 1.00 0.00 H new