USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 157:sc= 1.28 (180deg=1.18) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 1.31 (180deg=0.722) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.72) USER MOD Single : A 29 HIS : no HD1:sc= -0.218 K(o=-0.22,f=-0.88) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.02) USER MOD Single : A 34 CYS SG : rot 76:sc= 0.874 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.246 USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= -0.988 (180deg=-2.89!) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -1.1 (180deg=-3.44!) USER MOD Single : A 42 ASN : amide:sc= -0.732 X(o=-0.73,f=-0.51) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00573 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -1.41! C(o=-1.4!,f=-5.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.213 K(o=-0.21,f=0.99) USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= 1.29 (180deg=0.954) USER MOD Single : A 69 THR OG1 : rot -170:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.349 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 80:sc= -0.0708 USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 0.0592! (180deg=-0.398!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -19:sc= 0.0631 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -6.331 -3.017 8.731 1.00 0.00 N ATOM 245 CA GLU A 14 -6.227 -4.382 8.229 1.00 0.00 C ATOM 246 C GLU A 14 -4.811 -4.756 7.935 1.00 0.00 C ATOM 247 O GLU A 14 -4.409 -5.881 8.151 1.00 0.00 O ATOM 248 CB GLU A 14 -7.073 -4.561 6.974 1.00 0.00 C ATOM 249 CG GLU A 14 -8.557 -4.624 7.236 1.00 0.00 C ATOM 250 CD GLU A 14 -8.932 -5.879 7.976 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.093 -6.937 7.318 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.086 -5.845 9.214 1.00 0.00 O ATOM 0 HA GLU A 14 -6.600 -5.041 9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.870 -3.736 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.765 -5.476 6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.863 -3.753 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.097 -4.583 6.290 1.00 0.00 H new ATOM 259 N ILE A 15 -4.038 -3.787 7.513 1.00 0.00 N ATOM 260 CA ILE A 15 -2.671 -4.025 7.131 1.00 0.00 C ATOM 261 C ILE A 15 -1.820 -4.529 8.311 1.00 0.00 C ATOM 262 O ILE A 15 -0.951 -5.389 8.126 1.00 0.00 O ATOM 263 CB ILE A 15 -2.007 -2.785 6.491 1.00 0.00 C ATOM 264 CG1 ILE A 15 -1.741 -1.722 7.535 1.00 0.00 C ATOM 265 CG2 ILE A 15 -2.931 -2.226 5.418 1.00 0.00 C ATOM 266 CD1 ILE A 15 -0.625 -0.816 7.164 1.00 0.00 C ATOM 0 H ILE A 15 -4.338 -2.816 7.425 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.711 -4.809 6.375 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.055 -3.080 6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.646 -1.133 7.686 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.511 -2.203 8.486 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.470 -1.350 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.104 -2.985 4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.882 -1.942 5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.481 -0.075 7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.289 -1.397 7.041 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.863 -0.310 6.228 1.00 0.00 H new ATOM 278 N LYS A 16 -2.123 -4.067 9.537 1.00 0.00 N ATOM 279 CA LYS A 16 -1.349 -4.492 10.697 1.00 0.00 C ATOM 280 C LYS A 16 -1.785 -5.852 11.173 1.00 0.00 C ATOM 281 O LYS A 16 -1.197 -6.417 12.083 1.00 0.00 O ATOM 282 CB LYS A 16 -1.344 -3.499 11.880 1.00 0.00 C ATOM 283 CG LYS A 16 -0.700 -2.128 11.649 1.00 0.00 C ATOM 284 CD LYS A 16 -1.679 -1.094 11.115 1.00 0.00 C ATOM 285 CE LYS A 16 -1.032 0.292 11.046 1.00 0.00 C ATOM 286 NZ LYS A 16 -2.002 1.347 10.690 1.00 0.00 N ATOM 0 H LYS A 16 -2.881 -3.415 9.739 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.321 -4.531 10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.377 -3.338 12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.832 -3.975 12.716 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.277 -1.769 12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.126 -2.235 10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.020 -1.390 10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.559 -1.056 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.580 0.528 12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.227 0.279 10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.518 2.267 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.416 1.138 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.757 1.380 11.405 1.00 0.00 H new ATOM 300 N LYS A 17 -2.803 -6.373 10.556 1.00 0.00 N ATOM 301 CA LYS A 17 -3.267 -7.682 10.894 1.00 0.00 C ATOM 302 C LYS A 17 -3.014 -8.617 9.712 1.00 0.00 C ATOM 303 O LYS A 17 -3.054 -9.835 9.840 1.00 0.00 O ATOM 304 CB LYS A 17 -4.755 -7.628 11.255 1.00 0.00 C ATOM 305 CG LYS A 17 -5.240 -8.824 12.052 1.00 0.00 C ATOM 306 CD LYS A 17 -4.428 -8.956 13.327 1.00 0.00 C ATOM 307 CE LYS A 17 -4.965 -10.020 14.244 1.00 0.00 C ATOM 308 NZ LYS A 17 -4.103 -10.179 15.438 1.00 0.00 N ATOM 0 H LYS A 17 -3.328 -5.909 9.815 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.728 -8.062 11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.947 -6.721 11.828 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.339 -7.555 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.297 -8.707 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.148 -9.732 11.456 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.394 -9.188 13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.421 -8.000 13.850 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.977 -9.760 14.554 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.029 -10.967 13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.496 -10.919 16.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.144 -10.450 15.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.063 -9.280 15.959 1.00 0.00 H new ATOM 322 N LYS A 18 -2.714 -8.027 8.574 1.00 0.00 N ATOM 323 CA LYS A 18 -2.496 -8.769 7.361 1.00 0.00 C ATOM 324 C LYS A 18 -0.996 -8.961 7.125 1.00 0.00 C ATOM 325 O LYS A 18 -0.515 -10.089 7.111 1.00 0.00 O ATOM 326 CB LYS A 18 -3.111 -8.024 6.188 1.00 0.00 C ATOM 327 CG LYS A 18 -3.814 -8.906 5.172 1.00 0.00 C ATOM 328 CD LYS A 18 -5.129 -9.459 5.722 1.00 0.00 C ATOM 329 CE LYS A 18 -6.140 -8.344 6.019 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.413 -8.871 6.576 1.00 0.00 N ATOM 0 H LYS A 18 -2.615 -7.017 8.469 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.967 -9.748 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.825 -7.296 6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.326 -7.463 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.010 -8.333 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.160 -9.732 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.559 -10.156 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.932 -10.023 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.702 -7.638 6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.348 -7.792 5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.895 -8.120 7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.026 -9.191 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.210 -9.671 7.209 1.00 0.00 H new ATOM 344 N PHE A 19 -0.242 -7.857 6.959 1.00 0.00 N ATOM 345 CA PHE A 19 1.194 -7.976 6.753 1.00 0.00 C ATOM 346 C PHE A 19 1.825 -8.000 8.138 1.00 0.00 C ATOM 347 O PHE A 19 2.888 -8.579 8.350 1.00 0.00 O ATOM 348 CB PHE A 19 1.715 -6.784 5.924 1.00 0.00 C ATOM 349 CG PHE A 19 3.075 -6.982 5.278 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.239 -6.946 6.023 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.179 -7.176 3.914 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.473 -7.099 5.429 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.414 -7.322 3.317 1.00 0.00 C ATOM 354 CZ PHE A 19 5.562 -7.281 4.074 1.00 0.00 C ATOM 0 H PHE A 19 -0.601 -6.902 6.965 1.00 0.00 H new ATOM 0 HA PHE A 19 1.447 -8.880 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.989 -6.563 5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.763 -5.908 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.180 -6.795 7.091 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.285 -7.214 3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.369 -7.075 6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.480 -7.469 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.528 -7.392 3.603 1.00 0.00 H new ATOM 364 N LYS A 20 1.104 -7.376 9.077 1.00 0.00 N ATOM 365 CA LYS A 20 1.453 -7.329 10.490 1.00 0.00 C ATOM 366 C LYS A 20 2.725 -6.540 10.703 1.00 0.00 C ATOM 367 O LYS A 20 3.819 -7.088 10.750 1.00 0.00 O ATOM 368 CB LYS A 20 1.529 -8.745 11.113 1.00 0.00 C ATOM 369 CG LYS A 20 0.232 -9.564 11.008 1.00 0.00 C ATOM 370 CD LYS A 20 0.430 -10.987 11.533 1.00 0.00 C ATOM 371 CE LYS A 20 -0.862 -11.818 11.501 1.00 0.00 C ATOM 372 NZ LYS A 20 -1.402 -12.022 10.133 1.00 0.00 N ATOM 0 H LYS A 20 0.240 -6.878 8.863 1.00 0.00 H new ATOM 0 HA LYS A 20 0.653 -6.807 11.015 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.332 -9.298 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.799 -8.650 12.165 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.558 -9.072 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.095 -9.600 9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.193 -11.487 10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.803 -10.943 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.671 -12.790 11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.618 -11.323 12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.006 -12.869 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.963 -11.192 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.615 -12.148 9.465 1.00 0.00 H new ATOM 386 N LEU A 21 2.580 -5.232 10.781 1.00 0.00 N ATOM 387 CA LEU A 21 3.733 -4.368 10.913 1.00 0.00 C ATOM 388 C LEU A 21 3.851 -3.996 12.326 1.00 0.00 C ATOM 389 O LEU A 21 4.726 -4.461 13.060 1.00 0.00 O ATOM 390 CB LEU A 21 3.572 -3.064 10.109 1.00 0.00 C ATOM 391 CG LEU A 21 3.227 -3.169 8.605 1.00 0.00 C ATOM 392 CD1 LEU A 21 4.007 -4.266 7.951 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.731 -3.360 8.354 1.00 0.00 C ATOM 0 H LEU A 21 1.682 -4.748 10.755 1.00 0.00 H new ATOM 0 HA LEU A 21 4.606 -4.903 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.793 -2.472 10.588 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.501 -2.501 10.199 1.00 0.00 H new ATOM 0 HG LEU A 21 3.509 -2.216 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.745 -4.318 6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.073 -4.064 8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.771 -5.216 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.548 -3.427 7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.395 -4.277 8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.182 -2.512 8.763 1.00 0.00 H new ATOM 405 N THR A 22 2.893 -3.195 12.699 1.00 0.00 N ATOM 406 CA THR A 22 2.697 -2.740 13.996 1.00 0.00 C ATOM 407 C THR A 22 3.884 -1.894 14.505 1.00 0.00 C ATOM 408 O THR A 22 4.764 -2.361 15.249 1.00 0.00 O ATOM 409 CB THR A 22 2.357 -3.890 14.908 1.00 0.00 C ATOM 410 OG1 THR A 22 1.462 -4.797 14.199 1.00 0.00 O ATOM 411 CG2 THR A 22 1.624 -3.342 16.033 1.00 0.00 C ATOM 0 H THR A 22 2.199 -2.835 12.044 1.00 0.00 H new ATOM 0 HA THR A 22 1.843 -2.062 13.995 1.00 0.00 H new ATOM 0 HB THR A 22 3.258 -4.414 15.227 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.233 -5.552 14.781 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.358 -4.145 16.720 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.246 -2.612 16.552 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.717 -2.856 15.674 1.00 0.00 H new ATOM 459 N GLN A 26 8.279 3.843 7.497 1.00 0.00 N ATOM 460 CA GLN A 26 8.434 4.785 6.408 1.00 0.00 C ATOM 461 C GLN A 26 8.568 4.022 5.105 1.00 0.00 C ATOM 462 O GLN A 26 8.420 2.798 5.092 1.00 0.00 O ATOM 463 CB GLN A 26 9.666 5.692 6.603 1.00 0.00 C ATOM 464 CG GLN A 26 11.024 4.987 6.532 1.00 0.00 C ATOM 465 CD GLN A 26 11.328 4.122 7.736 1.00 0.00 C ATOM 466 OE1 GLN A 26 11.004 2.931 7.766 1.00 0.00 O ATOM 467 NE2 GLN A 26 11.941 4.696 8.721 1.00 0.00 N ATOM 0 HA GLN A 26 7.552 5.425 6.387 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.643 6.474 5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.583 6.185 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.055 4.368 5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.807 5.738 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.193 5.683 8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.172 4.162 9.559 1.00 0.00 H new ATOM 476 N VAL A 27 8.891 4.725 4.032 1.00 0.00 N ATOM 477 CA VAL A 27 9.002 4.100 2.732 1.00 0.00 C ATOM 478 C VAL A 27 10.453 3.706 2.478 1.00 0.00 C ATOM 479 O VAL A 27 11.385 4.376 2.934 1.00 0.00 O ATOM 480 CB VAL A 27 8.458 5.006 1.570 1.00 0.00 C ATOM 481 CG1 VAL A 27 9.221 6.298 1.426 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.474 4.267 0.263 1.00 0.00 C ATOM 0 H VAL A 27 9.080 5.727 4.039 1.00 0.00 H new ATOM 0 HA VAL A 27 8.374 3.209 2.741 1.00 0.00 H new ATOM 0 HB VAL A 27 7.432 5.258 1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.799 6.881 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.149 6.868 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.268 6.081 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.093 4.915 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.495 3.969 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.845 3.380 0.339 1.00 0.00 H new ATOM 492 N ILE A 28 10.641 2.615 1.802 1.00 0.00 N ATOM 493 CA ILE A 28 11.946 2.108 1.524 1.00 0.00 C ATOM 494 C ILE A 28 12.374 2.449 0.092 1.00 0.00 C ATOM 495 O ILE A 28 13.521 2.805 -0.141 1.00 0.00 O ATOM 496 CB ILE A 28 11.986 0.572 1.743 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.504 0.216 3.166 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.377 0.006 1.484 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.277 0.889 4.288 1.00 0.00 C ATOM 0 H ILE A 28 9.883 2.046 1.424 1.00 0.00 H new ATOM 0 HA ILE A 28 12.646 2.582 2.212 1.00 0.00 H new ATOM 0 HB ILE A 28 11.308 0.115 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.452 0.486 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.568 -0.864 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.367 -1.072 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.669 0.215 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.091 0.470 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.867 0.579 5.249 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.327 0.600 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.193 1.971 4.190 1.00 0.00 H new ATOM 511 N HIS A 29 11.443 2.377 -0.855 1.00 0.00 N ATOM 512 CA HIS A 29 11.755 2.600 -2.280 1.00 0.00 C ATOM 513 C HIS A 29 10.491 2.918 -3.005 1.00 0.00 C ATOM 514 O HIS A 29 9.396 2.715 -2.473 1.00 0.00 O ATOM 515 CB HIS A 29 12.368 1.345 -2.977 1.00 0.00 C ATOM 516 CG HIS A 29 13.781 0.969 -2.603 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.109 -0.245 -2.035 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.957 1.633 -2.749 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.408 -0.307 -1.847 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.944 0.811 -2.270 1.00 0.00 N ATOM 0 H HIS A 29 10.462 2.166 -0.670 1.00 0.00 H new ATOM 0 HA HIS A 29 12.483 3.411 -2.316 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.724 0.492 -2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.336 1.507 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 29 15.089 2.621 -3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.944 -1.140 -1.416 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.939 1.035 -2.247 1.00 0.00 H new ATOM 529 N LEU A 30 10.621 3.362 -4.211 1.00 0.00 N ATOM 530 CA LEU A 30 9.485 3.622 -5.030 1.00 0.00 C ATOM 531 C LEU A 30 9.334 2.460 -5.984 1.00 0.00 C ATOM 532 O LEU A 30 10.227 2.151 -6.709 1.00 0.00 O ATOM 533 CB LEU A 30 9.624 4.947 -5.831 1.00 0.00 C ATOM 534 CG LEU A 30 9.743 6.278 -5.041 1.00 0.00 C ATOM 535 CD1 LEU A 30 8.630 6.424 -4.030 1.00 0.00 C ATOM 536 CD2 LEU A 30 11.116 6.459 -4.395 1.00 0.00 C ATOM 0 H LEU A 30 11.518 3.555 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 30 8.608 3.733 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.504 4.859 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.760 5.028 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 30 9.637 7.081 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.745 7.367 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.668 6.413 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.672 5.598 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.143 7.406 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.302 5.640 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.885 6.460 -5.168 1.00 0.00 H new ATOM 548 N ALA A 31 8.265 1.781 -5.911 1.00 0.00 N ATOM 549 CA ALA A 31 8.000 0.715 -6.828 1.00 0.00 C ATOM 550 C ALA A 31 7.111 1.178 -7.929 1.00 0.00 C ATOM 551 O ALA A 31 6.360 2.110 -7.797 1.00 0.00 O ATOM 552 CB ALA A 31 7.419 -0.528 -6.171 1.00 0.00 C ATOM 0 H ALA A 31 7.534 1.936 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 31 8.968 0.424 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.245 -1.292 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.119 -0.907 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.476 -0.276 -5.686 1.00 0.00 H new ATOM 558 N LYS A 32 7.204 0.518 -8.978 1.00 0.00 N ATOM 559 CA LYS A 32 6.445 0.767 -10.124 1.00 0.00 C ATOM 560 C LYS A 32 5.389 -0.261 -10.192 1.00 0.00 C ATOM 561 O LYS A 32 5.684 -1.449 -10.017 1.00 0.00 O ATOM 562 CB LYS A 32 7.350 0.621 -11.338 1.00 0.00 C ATOM 563 CG LYS A 32 6.634 0.440 -12.659 1.00 0.00 C ATOM 564 CD LYS A 32 7.603 -0.015 -13.711 1.00 0.00 C ATOM 565 CE LYS A 32 6.907 -0.376 -14.997 1.00 0.00 C ATOM 566 NZ LYS A 32 7.843 -1.012 -15.939 1.00 0.00 N ATOM 0 H LYS A 32 7.849 -0.265 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 32 6.010 1.766 -10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.985 1.504 -11.406 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.008 -0.234 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.833 -0.291 -12.550 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.170 1.379 -12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.330 0.775 -13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.158 -0.878 -13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.078 -1.052 -14.789 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.482 0.520 -15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.307 -1.519 -16.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.435 -0.283 -16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.449 -1.684 -15.426 1.00 0.00 H new ATOM 580 N ALA A 33 4.165 0.152 -10.376 1.00 0.00 N ATOM 581 CA ALA A 33 3.151 -0.791 -10.681 1.00 0.00 C ATOM 582 C ALA A 33 3.481 -1.310 -12.051 1.00 0.00 C ATOM 583 O ALA A 33 3.465 -0.551 -13.014 1.00 0.00 O ATOM 584 CB ALA A 33 1.814 -0.119 -10.692 1.00 0.00 C ATOM 0 H ALA A 33 3.859 1.123 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 33 3.108 -1.594 -9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.041 -0.851 -10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.617 0.315 -9.712 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.809 0.669 -11.445 1.00 0.00 H new ATOM 590 N CYS A 34 3.878 -2.541 -12.132 1.00 0.00 N ATOM 591 CA CYS A 34 4.268 -3.103 -13.410 1.00 0.00 C ATOM 592 C CYS A 34 3.035 -3.514 -14.203 1.00 0.00 C ATOM 593 O CYS A 34 3.070 -3.651 -15.425 1.00 0.00 O ATOM 594 CB CYS A 34 5.190 -4.298 -13.203 1.00 0.00 C ATOM 595 SG CYS A 34 5.998 -4.880 -14.708 1.00 0.00 S ATOM 0 H CYS A 34 3.944 -3.181 -11.341 1.00 0.00 H new ATOM 0 HA CYS A 34 4.808 -2.344 -13.976 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.955 -4.030 -12.474 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.613 -5.117 -12.774 1.00 0.00 H new ATOM 0 HG CYS A 34 6.963 -4.068 -15.024 1.00 0.00 H new ATOM 601 N CYS A 35 1.950 -3.650 -13.514 1.00 0.00 N ATOM 602 CA CYS A 35 0.726 -4.092 -14.090 1.00 0.00 C ATOM 603 C CYS A 35 -0.392 -3.352 -13.401 1.00 0.00 C ATOM 604 O CYS A 35 -0.210 -2.853 -12.295 1.00 0.00 O ATOM 605 CB CYS A 35 0.556 -5.611 -13.884 1.00 0.00 C ATOM 606 SG CYS A 35 1.890 -6.632 -14.578 1.00 0.00 S ATOM 0 H CYS A 35 1.890 -3.453 -12.515 1.00 0.00 H new ATOM 0 HA CYS A 35 0.717 -3.895 -15.162 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.483 -5.812 -12.815 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.389 -5.920 -14.332 1.00 0.00 H new ATOM 0 HG CYS A 35 1.643 -7.887 -14.344 1.00 0.00 H new ATOM 612 N ASP A 36 -1.496 -3.216 -14.065 1.00 0.00 N ATOM 613 CA ASP A 36 -2.672 -2.611 -13.474 1.00 0.00 C ATOM 614 C ASP A 36 -3.553 -3.704 -12.903 1.00 0.00 C ATOM 615 O ASP A 36 -4.129 -4.519 -13.632 1.00 0.00 O ATOM 616 CB ASP A 36 -3.446 -1.697 -14.471 1.00 0.00 C ATOM 617 CG ASP A 36 -3.950 -2.393 -15.719 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.181 -2.512 -16.693 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.117 -2.823 -15.750 1.00 0.00 O ATOM 0 H ASP A 36 -1.619 -3.517 -15.032 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.353 -1.949 -12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.296 -1.256 -13.951 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.794 -0.876 -14.769 1.00 0.00 H new ATOM 624 N VAL A 37 -3.535 -3.813 -11.609 1.00 0.00 N ATOM 625 CA VAL A 37 -4.318 -4.815 -10.920 1.00 0.00 C ATOM 626 C VAL A 37 -5.395 -4.121 -10.054 1.00 0.00 C ATOM 627 O VAL A 37 -5.298 -2.917 -9.767 1.00 0.00 O ATOM 628 CB VAL A 37 -3.424 -5.727 -10.042 1.00 0.00 C ATOM 629 CG1 VAL A 37 -3.066 -5.047 -8.770 1.00 0.00 C ATOM 630 CG2 VAL A 37 -4.059 -7.078 -9.780 1.00 0.00 C ATOM 0 H VAL A 37 -2.981 -3.216 -10.995 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.801 -5.448 -11.664 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.508 -5.915 -10.603 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.438 -5.705 -8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.522 -4.128 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.974 -4.808 -8.217 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.393 -7.679 -9.161 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.009 -6.940 -9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.232 -7.588 -10.727 1.00 0.00 H new ATOM 640 N LYS A 38 -6.380 -4.868 -9.639 1.00 0.00 N ATOM 641 CA LYS A 38 -7.448 -4.348 -8.811 1.00 0.00 C ATOM 642 C LYS A 38 -7.359 -4.846 -7.359 1.00 0.00 C ATOM 643 O LYS A 38 -8.281 -4.621 -6.565 1.00 0.00 O ATOM 644 CB LYS A 38 -8.772 -4.790 -9.398 1.00 0.00 C ATOM 645 CG LYS A 38 -8.967 -6.295 -9.395 1.00 0.00 C ATOM 646 CD LYS A 38 -10.203 -6.705 -10.148 1.00 0.00 C ATOM 647 CE LYS A 38 -11.537 -6.420 -9.402 1.00 0.00 C ATOM 648 NZ LYS A 38 -11.863 -4.981 -9.216 1.00 0.00 N ATOM 0 H LYS A 38 -6.471 -5.859 -9.863 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.360 -3.262 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.582 -4.326 -8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.846 -4.425 -10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.095 -6.774 -9.841 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.035 -6.650 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.219 -6.185 -11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.144 -7.771 -10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.351 -6.892 -9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.496 -6.896 -8.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.890 -4.844 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.550 -4.673 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.377 -4.418 -9.943 1.00 0.00 H new ATOM 662 N GLY A 39 -6.268 -5.480 -6.992 1.00 0.00 N ATOM 663 CA GLY A 39 -6.230 -6.069 -5.674 1.00 0.00 C ATOM 664 C GLY A 39 -6.497 -7.532 -5.776 1.00 0.00 C ATOM 665 O GLY A 39 -7.497 -8.032 -5.257 1.00 0.00 O ATOM 0 H GLY A 39 -5.429 -5.598 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.256 -5.897 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.973 -5.597 -5.031 1.00 0.00 H new ATOM 669 N GLY A 40 -5.633 -8.200 -6.490 1.00 0.00 N ATOM 670 CA GLY A 40 -5.825 -9.583 -6.824 1.00 0.00 C ATOM 671 C GLY A 40 -5.515 -10.469 -5.666 1.00 0.00 C ATOM 672 O GLY A 40 -4.339 -10.751 -5.394 1.00 0.00 O ATOM 0 H GLY A 40 -4.771 -7.797 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.856 -9.743 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.187 -9.847 -7.668 1.00 0.00 H new ATOM 676 N LYS A 41 -6.564 -10.891 -4.990 1.00 0.00 N ATOM 677 CA LYS A 41 -6.519 -11.712 -3.805 1.00 0.00 C ATOM 678 C LYS A 41 -5.786 -10.992 -2.676 1.00 0.00 C ATOM 679 O LYS A 41 -4.592 -11.248 -2.421 1.00 0.00 O ATOM 680 CB LYS A 41 -5.924 -13.108 -4.075 1.00 0.00 C ATOM 681 CG LYS A 41 -6.029 -14.055 -2.891 1.00 0.00 C ATOM 682 CD LYS A 41 -5.319 -15.393 -3.118 1.00 0.00 C ATOM 683 CE LYS A 41 -3.789 -15.264 -3.170 1.00 0.00 C ATOM 684 NZ LYS A 41 -3.273 -14.741 -4.456 1.00 0.00 N ATOM 0 H LYS A 41 -7.517 -10.657 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.548 -11.879 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.434 -13.552 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.875 -12.999 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.606 -13.572 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.081 -14.242 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.592 -16.082 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.672 -15.831 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.462 -14.606 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.345 -16.242 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.501 -15.351 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.039 -14.730 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.915 -13.774 -4.319 1.00 0.00 H new ATOM 698 N ASN A 42 -6.494 -10.041 -2.060 1.00 0.00 N ATOM 699 CA ASN A 42 -5.986 -9.245 -0.935 1.00 0.00 C ATOM 700 C ASN A 42 -4.705 -8.504 -1.322 1.00 0.00 C ATOM 701 O ASN A 42 -3.585 -8.888 -0.945 1.00 0.00 O ATOM 702 CB ASN A 42 -5.864 -10.112 0.357 1.00 0.00 C ATOM 703 CG ASN A 42 -5.267 -9.399 1.564 1.00 0.00 C ATOM 704 OD1 ASN A 42 -5.965 -8.693 2.309 1.00 0.00 O ATOM 705 ND2 ASN A 42 -4.010 -9.655 1.825 1.00 0.00 N ATOM 0 H ASN A 42 -7.447 -9.798 -2.330 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.709 -8.467 -0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.855 -10.477 0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.252 -10.986 0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.574 -9.270 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.466 -10.240 1.190 1.00 0.00 H new ATOM 712 N GLU A 43 -4.879 -7.511 -2.177 1.00 0.00 N ATOM 713 CA GLU A 43 -3.796 -6.751 -2.720 1.00 0.00 C ATOM 714 C GLU A 43 -4.259 -5.290 -2.915 1.00 0.00 C ATOM 715 O GLU A 43 -5.389 -4.944 -2.549 1.00 0.00 O ATOM 716 CB GLU A 43 -3.457 -7.423 -4.032 1.00 0.00 C ATOM 717 CG GLU A 43 -2.254 -6.947 -4.777 1.00 0.00 C ATOM 718 CD GLU A 43 -2.001 -7.871 -5.896 1.00 0.00 C ATOM 719 OE1 GLU A 43 -2.764 -7.868 -6.862 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.080 -8.690 -5.788 1.00 0.00 O ATOM 0 H GLU A 43 -5.796 -7.215 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.919 -6.719 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.329 -8.488 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.319 -7.321 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.415 -5.936 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.389 -6.908 -4.115 1.00 0.00 H new ATOM 727 N LEU A 44 -3.417 -4.465 -3.502 1.00 0.00 N ATOM 728 CA LEU A 44 -3.711 -3.067 -3.718 1.00 0.00 C ATOM 729 C LEU A 44 -4.213 -2.897 -5.136 1.00 0.00 C ATOM 730 O LEU A 44 -3.900 -3.697 -6.006 1.00 0.00 O ATOM 731 CB LEU A 44 -2.404 -2.270 -3.601 1.00 0.00 C ATOM 732 CG LEU A 44 -2.455 -0.934 -2.836 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.118 -0.297 -2.833 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.474 0.030 -3.373 1.00 0.00 C ATOM 0 H LEU A 44 -2.500 -4.751 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.449 -2.724 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.663 -2.907 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.041 -2.068 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.762 -1.178 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.166 0.647 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.401 -0.959 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.802 -0.109 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.452 0.947 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.244 0.260 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.466 -0.417 -3.311 1.00 0.00 H new ATOM 746 N SER A 45 -4.994 -1.887 -5.356 1.00 0.00 N ATOM 747 CA SER A 45 -5.430 -1.569 -6.666 1.00 0.00 C ATOM 748 C SER A 45 -4.636 -0.397 -7.205 1.00 0.00 C ATOM 749 O SER A 45 -4.505 0.645 -6.542 1.00 0.00 O ATOM 750 CB SER A 45 -6.934 -1.341 -6.695 1.00 0.00 C ATOM 751 OG SER A 45 -7.354 -0.560 -5.578 1.00 0.00 O ATOM 0 H SER A 45 -5.344 -1.264 -4.628 1.00 0.00 H new ATOM 0 HA SER A 45 -5.241 -2.413 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.211 -0.837 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.451 -2.300 -6.688 1.00 0.00 H new ATOM 0 HG SER A 45 -8.324 -0.425 -5.619 1.00 0.00 H new ATOM 757 N PHE A 46 -4.089 -0.572 -8.373 1.00 0.00 N ATOM 758 CA PHE A 46 -3.218 0.402 -8.972 1.00 0.00 C ATOM 759 C PHE A 46 -3.160 0.196 -10.457 1.00 0.00 C ATOM 760 O PHE A 46 -3.672 -0.805 -10.978 1.00 0.00 O ATOM 761 CB PHE A 46 -1.799 0.327 -8.352 1.00 0.00 C ATOM 762 CG PHE A 46 -1.238 -1.071 -8.228 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.682 -1.716 -9.312 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.267 -1.723 -7.017 1.00 0.00 C ATOM 765 CE1 PHE A 46 -0.162 -2.986 -9.192 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.754 -2.989 -6.891 1.00 0.00 C ATOM 767 CZ PHE A 46 -0.197 -3.623 -7.980 1.00 0.00 C ATOM 0 H PHE A 46 -4.236 -1.404 -8.944 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.619 1.396 -8.773 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.119 0.924 -8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.825 0.783 -7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.654 -1.218 -10.270 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.698 -1.233 -6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.272 -3.478 -10.050 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.787 -3.490 -5.935 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.210 -4.618 -7.878 1.00 0.00 H new ATOM 777 N LYS A 47 -2.550 1.112 -11.130 1.00 0.00 N ATOM 778 CA LYS A 47 -2.395 1.036 -12.543 1.00 0.00 C ATOM 779 C LYS A 47 -0.941 1.043 -12.831 1.00 0.00 C ATOM 780 O LYS A 47 -0.208 1.694 -12.125 1.00 0.00 O ATOM 781 CB LYS A 47 -3.031 2.242 -13.210 1.00 0.00 C ATOM 782 CG LYS A 47 -4.524 2.358 -13.029 1.00 0.00 C ATOM 783 CD LYS A 47 -5.056 3.547 -13.802 1.00 0.00 C ATOM 784 CE LYS A 47 -6.546 3.715 -13.618 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.060 4.859 -14.396 1.00 0.00 N ATOM 0 H LYS A 47 -2.140 1.945 -10.709 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.874 0.134 -12.923 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.562 3.144 -12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.811 2.206 -14.277 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.011 1.445 -13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.762 2.468 -11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.545 4.452 -13.474 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.833 3.421 -14.861 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.057 2.804 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.769 3.862 -12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.086 4.947 -14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.589 5.732 -14.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.868 4.706 -15.407 1.00 0.00 H new ATOM 799 N GLN A 48 -0.499 0.296 -13.814 1.00 0.00 N ATOM 800 CA GLN A 48 0.902 0.358 -14.186 1.00 0.00 C ATOM 801 C GLN A 48 1.337 1.793 -14.502 1.00 0.00 C ATOM 802 O GLN A 48 0.715 2.484 -15.321 1.00 0.00 O ATOM 803 CB GLN A 48 1.283 -0.617 -15.295 1.00 0.00 C ATOM 804 CG GLN A 48 0.399 -0.605 -16.501 1.00 0.00 C ATOM 805 CD GLN A 48 1.040 -1.332 -17.648 1.00 0.00 C ATOM 806 OE1 GLN A 48 1.778 -0.731 -18.426 1.00 0.00 O ATOM 807 NE2 GLN A 48 0.773 -2.599 -17.785 1.00 0.00 N ATOM 0 H GLN A 48 -1.069 -0.348 -14.362 1.00 0.00 H new ATOM 0 HA GLN A 48 1.461 0.029 -13.310 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.302 -0.397 -15.612 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.288 -1.625 -14.881 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.557 -1.070 -16.260 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.188 0.424 -16.791 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.156 -3.065 -17.120 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.181 -3.126 -18.557 1.00 0.00 H new ATOM 816 N GLY A 49 2.368 2.233 -13.804 1.00 0.00 N ATOM 817 CA GLY A 49 2.817 3.610 -13.909 1.00 0.00 C ATOM 818 C GLY A 49 2.242 4.481 -12.787 1.00 0.00 C ATOM 819 O GLY A 49 2.354 5.695 -12.818 1.00 0.00 O ATOM 0 H GLY A 49 2.910 1.658 -13.159 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.906 3.641 -13.872 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.519 4.017 -14.875 1.00 0.00 H new ATOM 823 N GLU A 50 1.626 3.832 -11.803 1.00 0.00 N ATOM 824 CA GLU A 50 0.985 4.507 -10.649 1.00 0.00 C ATOM 825 C GLU A 50 2.047 5.122 -9.746 1.00 0.00 C ATOM 826 O GLU A 50 1.885 6.223 -9.201 1.00 0.00 O ATOM 827 CB GLU A 50 0.221 3.460 -9.822 1.00 0.00 C ATOM 828 CG GLU A 50 -0.727 4.008 -8.778 1.00 0.00 C ATOM 829 CD GLU A 50 -1.968 4.599 -9.384 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.924 3.845 -9.645 1.00 0.00 O ATOM 831 OE2 GLU A 50 -2.018 5.823 -9.607 1.00 0.00 O ATOM 0 H GLU A 50 1.550 2.815 -11.772 1.00 0.00 H new ATOM 0 HA GLU A 50 0.316 5.282 -11.022 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.347 2.829 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.947 2.818 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.007 3.210 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.215 4.770 -8.190 1.00 0.00 H new ATOM 838 N GLN A 51 3.122 4.382 -9.634 1.00 0.00 N ATOM 839 CA GLN A 51 4.249 4.631 -8.746 1.00 0.00 C ATOM 840 C GLN A 51 3.807 4.380 -7.305 1.00 0.00 C ATOM 841 O GLN A 51 3.098 5.183 -6.677 1.00 0.00 O ATOM 842 CB GLN A 51 4.890 6.023 -8.927 1.00 0.00 C ATOM 843 CG GLN A 51 6.318 6.121 -8.385 1.00 0.00 C ATOM 844 CD GLN A 51 7.332 5.322 -9.219 1.00 0.00 C ATOM 845 OE1 GLN A 51 6.995 4.311 -9.848 1.00 0.00 O ATOM 846 NE2 GLN A 51 8.564 5.770 -9.239 1.00 0.00 N ATOM 0 H GLN A 51 3.249 3.537 -10.191 1.00 0.00 H new ATOM 0 HA GLN A 51 5.045 3.935 -9.011 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.896 6.275 -9.987 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.270 6.766 -8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.621 7.168 -8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.336 5.760 -7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.811 6.606 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.275 5.282 -9.784 1.00 0.00 H new ATOM 855 N ILE A 52 4.199 3.251 -6.823 1.00 0.00 N ATOM 856 CA ILE A 52 3.828 2.737 -5.543 1.00 0.00 C ATOM 857 C ILE A 52 5.022 2.920 -4.632 1.00 0.00 C ATOM 858 O ILE A 52 6.119 3.047 -5.104 1.00 0.00 O ATOM 859 CB ILE A 52 3.513 1.216 -5.678 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.557 0.998 -6.863 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.920 0.645 -4.387 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.052 -0.408 -7.000 1.00 0.00 C ATOM 0 H ILE A 52 4.820 2.626 -7.336 1.00 0.00 H new ATOM 0 HA ILE A 52 2.951 3.250 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 52 4.446 0.683 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.705 1.669 -6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.069 1.279 -7.784 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.714 -0.417 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.630 0.777 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.993 1.168 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.385 -0.473 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.894 -1.085 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.509 -0.689 -6.098 1.00 0.00 H new ATOM 874 N GLU A 53 4.835 2.983 -3.374 1.00 0.00 N ATOM 875 CA GLU A 53 5.969 3.099 -2.502 1.00 0.00 C ATOM 876 C GLU A 53 6.030 1.864 -1.644 1.00 0.00 C ATOM 877 O GLU A 53 5.025 1.480 -1.036 1.00 0.00 O ATOM 878 CB GLU A 53 5.850 4.344 -1.663 1.00 0.00 C ATOM 879 CG GLU A 53 5.501 5.582 -2.483 1.00 0.00 C ATOM 880 CD GLU A 53 5.351 6.809 -1.655 1.00 0.00 C ATOM 881 OE1 GLU A 53 4.520 6.810 -0.749 1.00 0.00 O ATOM 882 OE2 GLU A 53 6.019 7.821 -1.927 1.00 0.00 O ATOM 0 H GLU A 53 3.926 2.958 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 53 6.890 3.182 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.085 4.191 -0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.791 4.515 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.279 5.747 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.573 5.401 -3.025 1.00 0.00 H new ATOM 889 N ILE A 54 7.171 1.205 -1.640 1.00 0.00 N ATOM 890 CA ILE A 54 7.333 -0.006 -0.869 1.00 0.00 C ATOM 891 C ILE A 54 7.722 0.375 0.550 1.00 0.00 C ATOM 892 O ILE A 54 8.729 1.043 0.774 1.00 0.00 O ATOM 893 CB ILE A 54 8.385 -1.009 -1.509 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.491 -2.298 -0.709 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.756 -0.406 -1.674 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.268 -3.149 -0.773 1.00 0.00 C ATOM 0 H ILE A 54 7.999 1.490 -2.163 1.00 0.00 H new ATOM 0 HA ILE A 54 6.385 -0.544 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 54 8.000 -1.233 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.342 -2.873 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.697 -2.052 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.427 -1.143 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.694 0.466 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.140 -0.104 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.420 -4.050 -0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.417 -2.593 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.072 -3.427 -1.809 1.00 0.00 H new ATOM 908 N ILE A 55 6.898 0.024 1.485 1.00 0.00 N ATOM 909 CA ILE A 55 7.151 0.362 2.865 1.00 0.00 C ATOM 910 C ILE A 55 7.639 -0.823 3.664 1.00 0.00 C ATOM 911 O ILE A 55 8.523 -0.684 4.515 1.00 0.00 O ATOM 912 CB ILE A 55 5.954 1.047 3.591 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.628 0.297 3.353 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.842 2.514 3.173 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.914 0.689 2.078 1.00 0.00 C ATOM 0 H ILE A 55 6.037 -0.500 1.325 1.00 0.00 H new ATOM 0 HA ILE A 55 7.947 1.105 2.815 1.00 0.00 H new ATOM 0 HB ILE A 55 6.152 1.007 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.829 -0.774 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.964 0.478 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.001 2.976 3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.761 3.038 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.684 2.574 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.991 0.116 1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.679 1.753 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.557 0.481 1.222 1.00 0.00 H new ATOM 927 N ARG A 56 7.104 -1.999 3.411 1.00 0.00 N ATOM 928 CA ARG A 56 7.571 -3.124 4.155 1.00 0.00 C ATOM 929 C ARG A 56 7.862 -4.283 3.244 1.00 0.00 C ATOM 930 O ARG A 56 7.054 -4.639 2.380 1.00 0.00 O ATOM 931 CB ARG A 56 6.608 -3.555 5.263 1.00 0.00 C ATOM 932 CG ARG A 56 7.312 -4.352 6.364 1.00 0.00 C ATOM 933 CD ARG A 56 7.951 -3.450 7.432 1.00 0.00 C ATOM 934 NE ARG A 56 8.759 -2.345 6.866 1.00 0.00 N ATOM 935 CZ ARG A 56 9.687 -1.640 7.516 1.00 0.00 C ATOM 936 NH1 ARG A 56 9.944 -1.875 8.798 1.00 0.00 N ATOM 937 NH2 ARG A 56 10.343 -0.677 6.867 1.00 0.00 N ATOM 0 H ARG A 56 6.375 -2.187 2.723 1.00 0.00 H new ATOM 0 HA ARG A 56 8.492 -2.804 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.140 -2.672 5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.810 -4.160 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.593 -5.019 6.840 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.082 -4.980 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.165 -3.030 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.584 -4.058 8.078 1.00 0.00 H new ATOM 0 HE ARG A 56 8.591 -2.101 5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.430 -2.601 9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.656 -1.329 9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.133 -0.488 5.887 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.055 -0.130 7.351 1.00 0.00 H new ATOM 951 N ILE A 57 9.019 -4.827 3.429 1.00 0.00 N ATOM 952 CA ILE A 57 9.487 -5.987 2.715 1.00 0.00 C ATOM 953 C ILE A 57 9.919 -7.052 3.700 1.00 0.00 C ATOM 954 O ILE A 57 9.776 -8.238 3.447 1.00 0.00 O ATOM 955 CB ILE A 57 10.671 -5.693 1.709 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.724 -4.709 2.266 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.160 -5.216 0.369 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.285 -3.251 2.248 1.00 0.00 C ATOM 0 H ILE A 57 9.695 -4.469 4.104 1.00 0.00 H new ATOM 0 HA ILE A 57 8.647 -6.328 2.110 1.00 0.00 H new ATOM 0 HB ILE A 57 11.177 -6.649 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.964 -4.992 3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.641 -4.808 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.003 -5.025 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.519 -5.981 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.588 -4.298 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.080 -2.627 2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.074 -2.947 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.386 -3.134 2.853 1.00 0.00 H new ATOM 970 N THR A 58 10.433 -6.627 4.829 1.00 0.00 N ATOM 971 CA THR A 58 10.888 -7.536 5.840 1.00 0.00 C ATOM 972 C THR A 58 9.750 -7.969 6.733 1.00 0.00 C ATOM 973 O THR A 58 8.825 -7.182 7.009 1.00 0.00 O ATOM 974 CB THR A 58 12.025 -6.919 6.680 1.00 0.00 C ATOM 975 OG1 THR A 58 11.624 -5.638 7.202 1.00 0.00 O ATOM 976 CG2 THR A 58 13.262 -6.750 5.831 1.00 0.00 C ATOM 0 H THR A 58 10.545 -5.642 5.068 1.00 0.00 H new ATOM 0 HA THR A 58 11.281 -8.417 5.332 1.00 0.00 H new ATOM 0 HB THR A 58 12.244 -7.590 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.354 -5.259 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.059 -6.314 6.433 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.581 -7.722 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.040 -6.092 4.991 1.00 0.00 H new ATOM 984 N ASP A 59 9.805 -9.221 7.139 1.00 0.00 N ATOM 985 CA ASP A 59 8.823 -9.838 8.015 1.00 0.00 C ATOM 986 C ASP A 59 7.492 -9.946 7.297 1.00 0.00 C ATOM 987 O ASP A 59 6.456 -9.437 7.730 1.00 0.00 O ATOM 988 CB ASP A 59 8.720 -9.134 9.387 1.00 0.00 C ATOM 989 CG ASP A 59 7.857 -9.894 10.366 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.189 -11.057 10.694 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.860 -9.352 10.859 1.00 0.00 O ATOM 0 H ASP A 59 10.553 -9.857 6.863 1.00 0.00 H new ATOM 0 HA ASP A 59 9.159 -10.848 8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.719 -9.014 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.311 -8.133 9.248 1.00 0.00 H new ATOM 996 N ASN A 60 7.566 -10.547 6.138 1.00 0.00 N ATOM 997 CA ASN A 60 6.406 -10.807 5.321 1.00 0.00 C ATOM 998 C ASN A 60 5.873 -12.211 5.584 1.00 0.00 C ATOM 999 O ASN A 60 6.562 -13.201 5.359 1.00 0.00 O ATOM 1000 CB ASN A 60 6.672 -10.558 3.800 1.00 0.00 C ATOM 1001 CG ASN A 60 7.923 -11.231 3.199 1.00 0.00 C ATOM 1002 OD1 ASN A 60 8.396 -12.277 3.648 1.00 0.00 O ATOM 1003 ND2 ASN A 60 8.454 -10.640 2.168 1.00 0.00 N ATOM 0 H ASN A 60 8.442 -10.874 5.729 1.00 0.00 H new ATOM 0 HA ASN A 60 5.636 -10.091 5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.800 -10.899 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.753 -9.483 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.276 -11.042 1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.048 -9.775 1.811 1.00 0.00 H new ATOM 1010 N PRO A 61 4.672 -12.324 6.129 1.00 0.00 N ATOM 1011 CA PRO A 61 4.070 -13.621 6.403 1.00 0.00 C ATOM 1012 C PRO A 61 3.697 -14.339 5.109 1.00 0.00 C ATOM 1013 O PRO A 61 4.119 -15.466 4.870 1.00 0.00 O ATOM 1014 CB PRO A 61 2.820 -13.281 7.216 1.00 0.00 C ATOM 1015 CG PRO A 61 2.981 -11.858 7.625 1.00 0.00 C ATOM 1016 CD PRO A 61 3.818 -11.216 6.566 1.00 0.00 C ATOM 0 HA PRO A 61 4.747 -14.293 6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.917 -13.418 6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.730 -13.931 8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.013 -11.365 7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.462 -11.785 8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.211 -10.824 5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.401 -10.383 6.958 1.00 0.00 H new ATOM 1024 N GLU A 62 2.933 -13.656 4.269 1.00 0.00 N ATOM 1025 CA GLU A 62 2.505 -14.199 2.988 1.00 0.00 C ATOM 1026 C GLU A 62 3.711 -14.382 2.053 1.00 0.00 C ATOM 1027 O GLU A 62 3.820 -15.373 1.341 1.00 0.00 O ATOM 1028 CB GLU A 62 1.512 -13.232 2.344 1.00 0.00 C ATOM 1029 CG GLU A 62 0.945 -13.687 1.010 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.050 -14.798 1.128 1.00 0.00 C ATOM 1031 OE1 GLU A 62 0.348 -15.962 1.252 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -1.268 -14.525 1.080 1.00 0.00 O ATOM 0 H GLU A 62 2.593 -12.713 4.455 1.00 0.00 H new ATOM 0 HA GLU A 62 2.036 -15.169 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.686 -13.069 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.004 -12.270 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.472 -12.838 0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.764 -14.011 0.368 1.00 0.00 H new ATOM 1039 N GLY A 63 4.604 -13.413 2.080 1.00 0.00 N ATOM 1040 CA GLY A 63 5.763 -13.422 1.200 1.00 0.00 C ATOM 1041 C GLY A 63 5.679 -12.273 0.224 1.00 0.00 C ATOM 1042 O GLY A 63 6.666 -11.867 -0.384 1.00 0.00 O ATOM 0 H GLY A 63 4.552 -12.606 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.677 -13.344 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.812 -14.367 0.659 1.00 0.00 H new ATOM 1046 N LYS A 64 4.481 -11.758 0.100 1.00 0.00 N ATOM 1047 CA LYS A 64 4.157 -10.633 -0.746 1.00 0.00 C ATOM 1048 C LYS A 64 4.647 -9.328 -0.072 1.00 0.00 C ATOM 1049 O LYS A 64 4.959 -9.332 1.120 1.00 0.00 O ATOM 1050 CB LYS A 64 2.641 -10.629 -0.995 1.00 0.00 C ATOM 1051 CG LYS A 64 1.774 -10.154 0.160 1.00 0.00 C ATOM 1052 CD LYS A 64 0.304 -10.545 -0.029 1.00 0.00 C ATOM 1053 CE LYS A 64 -0.204 -10.278 -1.434 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.623 -10.658 -1.596 1.00 0.00 N ATOM 0 H LYS A 64 3.673 -12.124 0.604 1.00 0.00 H new ATOM 0 HA LYS A 64 4.658 -10.708 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.437 -9.997 -1.859 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.334 -11.641 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.146 -10.580 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.853 -9.071 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.183 -11.604 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.308 -9.992 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.084 -9.220 -1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.403 -10.833 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.776 -11.028 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.868 -11.390 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.225 -9.823 -1.447 1.00 0.00 H new ATOM 1068 N TRP A 65 4.743 -8.258 -0.832 1.00 0.00 N ATOM 1069 CA TRP A 65 5.293 -6.979 -0.347 1.00 0.00 C ATOM 1070 C TRP A 65 4.202 -6.027 0.126 1.00 0.00 C ATOM 1071 O TRP A 65 3.051 -6.233 -0.160 1.00 0.00 O ATOM 1072 CB TRP A 65 6.107 -6.316 -1.456 1.00 0.00 C ATOM 1073 CG TRP A 65 7.467 -6.904 -1.665 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.164 -7.692 -0.792 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.313 -6.729 -2.811 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.381 -8.025 -1.330 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.497 -7.448 -2.566 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.182 -6.043 -4.023 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.537 -7.496 -3.480 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.219 -6.096 -4.926 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.380 -6.818 -4.653 1.00 0.00 C ATOM 0 H TRP A 65 4.445 -8.235 -1.807 1.00 0.00 H new ATOM 0 HA TRP A 65 5.932 -7.199 0.508 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.548 -6.384 -2.389 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.215 -5.256 -1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.809 -8.006 0.178 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.087 -8.609 -0.881 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.286 -5.483 -4.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.440 -8.051 -3.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.132 -5.568 -5.864 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.172 -6.841 -5.386 1.00 0.00 H new ATOM 1092 N LEU A 66 4.576 -4.988 0.859 1.00 0.00 N ATOM 1093 CA LEU A 66 3.620 -3.987 1.317 1.00 0.00 C ATOM 1094 C LEU A 66 3.877 -2.665 0.620 1.00 0.00 C ATOM 1095 O LEU A 66 4.920 -2.031 0.849 1.00 0.00 O ATOM 1096 CB LEU A 66 3.712 -3.777 2.832 1.00 0.00 C ATOM 1097 CG LEU A 66 2.704 -2.794 3.429 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.292 -3.273 3.212 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.971 -2.583 4.900 1.00 0.00 C ATOM 0 H LEU A 66 5.538 -4.815 1.151 1.00 0.00 H new ATOM 0 HA LEU A 66 2.621 -4.351 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.584 -4.742 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.717 -3.429 3.071 1.00 0.00 H new ATOM 0 HG LEU A 66 2.822 -1.839 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.594 -2.557 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.099 -3.366 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.160 -4.244 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.243 -1.880 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.888 -3.535 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.976 -2.181 5.034 1.00 0.00 H new ATOM 1111 N GLY A 67 2.944 -2.249 -0.194 1.00 0.00 N ATOM 1112 CA GLY A 67 3.079 -1.024 -0.930 1.00 0.00 C ATOM 1113 C GLY A 67 1.890 -0.142 -0.699 1.00 0.00 C ATOM 1114 O GLY A 67 0.849 -0.624 -0.269 1.00 0.00 O ATOM 0 H GLY A 67 2.072 -2.749 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.988 -0.507 -0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.178 -1.240 -1.994 1.00 0.00 H new ATOM 1118 N ARG A 68 2.034 1.129 -0.963 1.00 0.00 N ATOM 1119 CA ARG A 68 0.965 2.086 -0.748 1.00 0.00 C ATOM 1120 C ARG A 68 0.772 2.967 -1.966 1.00 0.00 C ATOM 1121 O ARG A 68 1.702 3.177 -2.756 1.00 0.00 O ATOM 1122 CB ARG A 68 1.267 2.948 0.497 1.00 0.00 C ATOM 1123 CG ARG A 68 0.249 4.046 0.821 1.00 0.00 C ATOM 1124 CD ARG A 68 0.777 5.001 1.878 1.00 0.00 C ATOM 1125 NE ARG A 68 2.006 5.678 1.446 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.902 6.248 2.274 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.602 6.450 3.551 1.00 0.00 N ATOM 1128 NH2 ARG A 68 4.049 6.695 1.801 1.00 0.00 N ATOM 0 H ARG A 68 2.892 1.537 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 68 0.040 1.534 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.345 2.287 1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.243 3.414 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.010 4.601 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.678 3.592 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.015 5.746 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.971 4.451 2.799 1.00 0.00 H new ATOM 0 HE ARG A 68 2.195 5.720 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.688 6.173 3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.285 6.882 4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.259 6.609 0.806 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.726 7.126 2.430 1.00 0.00 H new ATOM 1142 N THR A 69 -0.437 3.443 -2.120 1.00 0.00 N ATOM 1143 CA THR A 69 -0.792 4.377 -3.160 1.00 0.00 C ATOM 1144 C THR A 69 -1.136 5.704 -2.461 1.00 0.00 C ATOM 1145 O THR A 69 -1.379 5.694 -1.256 1.00 0.00 O ATOM 1146 CB THR A 69 -1.983 3.825 -3.986 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.661 2.495 -4.388 1.00 0.00 O ATOM 1148 CG2 THR A 69 -2.223 4.649 -5.246 1.00 0.00 C ATOM 0 H THR A 69 -1.218 3.188 -1.515 1.00 0.00 H new ATOM 0 HA THR A 69 0.025 4.532 -3.865 1.00 0.00 H new ATOM 0 HB THR A 69 -2.880 3.864 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.322 2.181 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.065 4.232 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.445 5.680 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.331 4.625 -5.872 1.00 0.00 H new ATOM 1156 N ALA A 70 -1.192 6.803 -3.206 1.00 0.00 N ATOM 1157 CA ALA A 70 -1.326 8.171 -2.663 1.00 0.00 C ATOM 1158 C ALA A 70 -2.538 8.409 -1.750 1.00 0.00 C ATOM 1159 O ALA A 70 -2.567 9.388 -1.002 1.00 0.00 O ATOM 1160 CB ALA A 70 -1.341 9.164 -3.795 1.00 0.00 C ATOM 0 H ALA A 70 -1.146 6.779 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.457 8.307 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.440 10.172 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.411 9.087 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.183 8.952 -4.454 1.00 0.00 H new ATOM 1166 N ARG A 71 -3.522 7.556 -1.809 1.00 0.00 N ATOM 1167 CA ARG A 71 -4.707 7.717 -0.966 1.00 0.00 C ATOM 1168 C ARG A 71 -4.402 7.122 0.424 1.00 0.00 C ATOM 1169 O ARG A 71 -4.933 7.559 1.450 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.904 7.010 -1.661 1.00 0.00 C ATOM 1171 CG ARG A 71 -7.330 7.290 -1.126 1.00 0.00 C ATOM 1172 CD ARG A 71 -7.617 6.722 0.263 1.00 0.00 C ATOM 1173 NE ARG A 71 -7.487 5.259 0.325 1.00 0.00 N ATOM 1174 CZ ARG A 71 -7.981 4.483 1.302 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -8.669 5.029 2.325 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -7.763 3.165 1.256 1.00 0.00 N ATOM 0 H ARG A 71 -3.542 6.742 -2.423 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.969 8.766 -0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.885 7.283 -2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.733 5.935 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.488 8.368 -1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.054 6.877 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.933 7.173 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.626 7.004 0.563 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.983 4.798 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.817 6.038 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.042 4.433 3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.228 2.763 0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.132 2.561 1.991 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.476 6.202 0.442 1.00 0.00 N ATOM 1191 CA GLY A 72 -3.157 5.482 1.633 1.00 0.00 C ATOM 1192 C GLY A 72 -3.896 4.205 1.650 1.00 0.00 C ATOM 1193 O GLY A 72 -4.946 4.081 2.263 1.00 0.00 O ATOM 0 H GLY A 72 -2.924 5.934 -0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.084 5.294 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.416 6.076 2.510 1.00 0.00 H new ATOM 1197 N SER A 73 -3.325 3.263 0.996 1.00 0.00 N ATOM 1198 CA SER A 73 -3.878 2.020 0.750 1.00 0.00 C ATOM 1199 C SER A 73 -2.670 1.190 0.647 1.00 0.00 C ATOM 1200 O SER A 73 -1.808 1.460 -0.175 1.00 0.00 O ATOM 1201 CB SER A 73 -4.611 2.005 -0.582 1.00 0.00 C ATOM 1202 OG SER A 73 -5.534 3.100 -0.709 1.00 0.00 O ATOM 0 H SER A 73 -2.392 3.366 0.597 1.00 0.00 H new ATOM 0 HA SER A 73 -4.602 1.703 1.501 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.885 2.048 -1.394 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.151 1.064 -0.687 1.00 0.00 H new ATOM 0 HG SER A 73 -5.981 3.052 -1.580 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.572 0.312 1.487 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.450 -0.524 1.631 1.00 0.00 C ATOM 1210 C TYR A 74 -1.855 -1.881 1.198 1.00 0.00 C ATOM 1211 O TYR A 74 -2.264 -2.724 2.006 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.029 -0.573 3.072 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.337 0.642 3.663 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.012 1.836 3.851 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.984 0.573 4.073 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.389 2.927 4.418 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.614 1.659 4.650 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.924 2.833 4.821 1.00 0.00 C ATOM 1219 OH TYR A 74 1.542 3.922 5.397 1.00 0.00 O ATOM 0 H TYR A 74 -3.310 0.113 2.162 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.617 -0.150 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.917 -0.773 3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.363 -1.427 3.195 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.046 1.914 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.532 -0.348 3.939 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.930 3.853 4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.644 1.584 4.965 1.00 0.00 H new ATOM 0 HH TYR A 74 2.466 3.690 5.626 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.808 -2.085 -0.050 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.219 -3.287 -0.560 1.00 0.00 C ATOM 1231 C GLY A 75 -1.058 -4.097 -0.821 1.00 0.00 C ATOM 1232 O GLY A 75 -0.321 -3.852 -1.766 1.00 0.00 O ATOM 0 H GLY A 75 -1.479 -1.409 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.881 -3.790 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.787 -3.134 -1.477 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.816 -4.915 0.115 1.00 0.00 N ATOM 1237 CA TYR A 76 0.169 -5.966 0.073 1.00 0.00 C ATOM 1238 C TYR A 76 0.141 -6.627 -1.310 1.00 0.00 C ATOM 1239 O TYR A 76 -0.772 -7.373 -1.640 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.143 -7.002 1.181 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.252 -6.543 2.120 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.579 -6.775 1.796 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -0.980 -5.842 3.286 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.603 -6.325 2.588 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.003 -5.400 4.088 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.313 -5.644 3.732 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.338 -5.186 4.524 1.00 0.00 O ATOM 0 H TYR A 76 -1.321 -4.887 1.001 1.00 0.00 H new ATOM 0 HA TYR A 76 1.164 -5.557 0.247 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.431 -7.946 0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.761 -7.193 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.812 -7.325 0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.044 -5.643 3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.630 -6.508 2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.782 -4.861 4.998 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.681 -5.922 5.073 1.00 0.00 H new ATOM 1257 N ILE A 77 1.084 -6.241 -2.117 1.00 0.00 N ATOM 1258 CA ILE A 77 1.217 -6.694 -3.452 1.00 0.00 C ATOM 1259 C ILE A 77 1.862 -7.970 -3.558 1.00 0.00 C ATOM 1260 O ILE A 77 2.768 -8.295 -2.793 1.00 0.00 O ATOM 1261 CB ILE A 77 2.069 -5.783 -4.351 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.402 -5.302 -3.701 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.268 -4.623 -4.839 1.00 0.00 C ATOM 1264 CD1 ILE A 77 3.282 -4.139 -2.751 1.00 0.00 C ATOM 0 H ILE A 77 1.806 -5.575 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 77 0.177 -6.720 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 77 2.365 -6.402 -5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.847 -6.141 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.095 -5.028 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.891 -3.992 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.415 -4.985 -5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.912 -4.043 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.267 -3.887 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.872 -3.278 -3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.620 -4.408 -1.928 1.00 0.00 H new ATOM 1276 N LYS A 78 1.465 -8.690 -4.537 1.00 0.00 N ATOM 1277 CA LYS A 78 2.226 -9.748 -4.918 1.00 0.00 C ATOM 1278 C LYS A 78 3.381 -9.082 -5.686 1.00 0.00 C ATOM 1279 O LYS A 78 3.188 -8.285 -6.597 1.00 0.00 O ATOM 1280 CB LYS A 78 1.454 -10.765 -5.778 1.00 0.00 C ATOM 1281 CG LYS A 78 1.082 -10.262 -7.147 1.00 0.00 C ATOM 1282 CD LYS A 78 0.367 -11.315 -7.982 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.979 -11.704 -7.397 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.967 -10.601 -7.460 1.00 0.00 N ATOM 0 H LYS A 78 0.610 -8.542 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 78 2.564 -10.348 -4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.059 -11.665 -5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.545 -11.054 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.441 -9.386 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.983 -9.940 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.224 -10.936 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.996 -12.202 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.369 -12.568 -7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.846 -12.009 -6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.923 -10.997 -7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.917 -10.040 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.755 -9.991 -8.275 1.00 0.00 H new ATOM 1298 N THR A 79 4.488 -9.292 -5.167 1.00 0.00 N ATOM 1299 CA THR A 79 5.813 -8.827 -5.623 1.00 0.00 C ATOM 1300 C THR A 79 5.950 -8.807 -7.164 1.00 0.00 C ATOM 1301 O THR A 79 6.486 -7.860 -7.746 1.00 0.00 O ATOM 1302 CB THR A 79 6.891 -9.786 -5.043 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.617 -11.140 -5.468 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.863 -9.772 -3.531 1.00 0.00 C ATOM 0 H THR A 79 4.564 -9.849 -4.316 1.00 0.00 H new ATOM 0 HA THR A 79 5.942 -7.803 -5.273 1.00 0.00 H new ATOM 0 HB THR A 79 7.864 -9.450 -5.402 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.299 -11.742 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.625 -10.450 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.062 -8.762 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.882 -10.094 -3.182 1.00 0.00 H new ATOM 1312 N THR A 80 5.396 -9.812 -7.791 1.00 0.00 N ATOM 1313 CA THR A 80 5.426 -9.982 -9.229 1.00 0.00 C ATOM 1314 C THR A 80 4.553 -8.907 -9.974 1.00 0.00 C ATOM 1315 O THR A 80 4.640 -8.764 -11.198 1.00 0.00 O ATOM 1316 CB THR A 80 4.987 -11.447 -9.587 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.019 -11.707 -10.999 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.607 -11.745 -9.041 1.00 0.00 C ATOM 0 H THR A 80 4.897 -10.558 -7.306 1.00 0.00 H new ATOM 0 HA THR A 80 6.447 -9.825 -9.577 1.00 0.00 H new ATOM 0 HB THR A 80 5.714 -12.109 -9.116 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.005 -10.858 -11.488 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.325 -12.765 -9.302 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.614 -11.636 -7.956 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.887 -11.049 -9.471 1.00 0.00 H new ATOM 1326 N ALA A 81 3.754 -8.132 -9.238 1.00 0.00 N ATOM 1327 CA ALA A 81 2.916 -7.108 -9.850 1.00 0.00 C ATOM 1328 C ALA A 81 3.621 -5.750 -9.851 1.00 0.00 C ATOM 1329 O ALA A 81 3.166 -4.791 -10.491 1.00 0.00 O ATOM 1330 CB ALA A 81 1.577 -7.016 -9.130 1.00 0.00 C ATOM 0 H ALA A 81 3.672 -8.196 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 81 2.734 -7.393 -10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.964 -6.247 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.065 -7.976 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.743 -6.759 -8.084 1.00 0.00 H new ATOM 1336 N VAL A 82 4.734 -5.665 -9.148 1.00 0.00 N ATOM 1337 CA VAL A 82 5.488 -4.430 -9.085 1.00 0.00 C ATOM 1338 C VAL A 82 6.930 -4.644 -9.465 1.00 0.00 C ATOM 1339 O VAL A 82 7.389 -5.779 -9.611 1.00 0.00 O ATOM 1340 CB VAL A 82 5.424 -3.714 -7.690 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.054 -3.110 -7.434 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.793 -4.663 -6.558 1.00 0.00 C ATOM 0 H VAL A 82 5.135 -6.436 -8.614 1.00 0.00 H new ATOM 0 HA VAL A 82 5.005 -3.773 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 82 6.156 -2.907 -7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.048 -2.623 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.830 -2.376 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.300 -3.897 -7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.738 -4.134 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.098 -5.503 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.807 -5.033 -6.709 1.00 0.00 H new ATOM 1352 N GLU A 83 7.599 -3.549 -9.683 1.00 0.00 N ATOM 1353 CA GLU A 83 9.021 -3.490 -9.948 1.00 0.00 C ATOM 1354 C GLU A 83 9.554 -2.341 -9.144 1.00 0.00 C ATOM 1355 O GLU A 83 9.174 -1.210 -9.391 1.00 0.00 O ATOM 1356 CB GLU A 83 9.286 -3.202 -11.422 1.00 0.00 C ATOM 1357 CG GLU A 83 8.772 -4.255 -12.375 1.00 0.00 C ATOM 1358 CD GLU A 83 9.089 -3.942 -13.816 1.00 0.00 C ATOM 1359 OE1 GLU A 83 8.355 -3.161 -14.450 1.00 0.00 O ATOM 1360 OE2 GLU A 83 10.047 -4.511 -14.357 1.00 0.00 O ATOM 0 H GLU A 83 7.156 -2.630 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 83 9.492 -4.439 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.830 -2.246 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.360 -3.092 -11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.207 -5.219 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.693 -4.350 -12.257 1.00 0.00 H new ATOM 1367 N ILE A 84 10.360 -2.596 -8.162 1.00 0.00 N ATOM 1368 CA ILE A 84 10.866 -1.501 -7.365 1.00 0.00 C ATOM 1369 C ILE A 84 11.945 -0.720 -8.088 1.00 0.00 C ATOM 1370 O ILE A 84 12.561 -1.201 -9.036 1.00 0.00 O ATOM 1371 CB ILE A 84 11.410 -1.896 -5.983 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.682 -2.714 -6.106 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.355 -2.644 -5.175 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.495 -2.671 -4.859 1.00 0.00 C ATOM 0 H ILE A 84 10.681 -3.525 -7.890 1.00 0.00 H new ATOM 0 HA ILE A 84 9.981 -0.884 -7.206 1.00 0.00 H new ATOM 0 HB ILE A 84 11.656 -0.979 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.427 -3.748 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.276 -2.338 -6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.765 -2.912 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.482 -2.006 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.063 -3.549 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.396 -3.270 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.773 -1.640 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.911 -3.072 -4.030 1.00 0.00 H new ATOM 1386 N ASP A 85 12.137 0.476 -7.637 1.00 0.00 N ATOM 1387 CA ASP A 85 13.191 1.352 -8.111 1.00 0.00 C ATOM 1388 C ASP A 85 14.341 1.203 -7.146 1.00 0.00 C ATOM 1389 O ASP A 85 14.190 1.459 -5.939 1.00 0.00 O ATOM 1390 CB ASP A 85 12.678 2.807 -8.157 1.00 0.00 C ATOM 1391 CG ASP A 85 13.688 3.850 -8.569 1.00 0.00 C ATOM 1392 OD1 ASP A 85 13.896 4.052 -9.785 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.239 4.546 -7.687 1.00 0.00 O ATOM 0 H ASP A 85 11.557 0.894 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 85 13.511 1.094 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.835 2.853 -8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.297 3.069 -7.170 1.00 0.00 H new