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+ -174:sc= 0 (180deg=-0.0419) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc=-0.00326 (180deg=-0.116) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 1.29 (180deg=0.943) USER MOD Single : A 22 THR OG1 : rot 1:sc= 1.13 USER MOD Single : A 26 GLN : amide:sc= -0.0107 K(o=-0.011,f=-1.1) USER MOD Single : A 29 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-1.2) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 84:sc= 0.457 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.221 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0357) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.806 F(o=-2.1!,f=-0.81) USER MOD Single : A 45 SER OG : rot -108:sc= 1.11 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.2) USER MOD Single : A 48 GLN : amide:sc= -0.329 K(o=-0.33,f=-4.5!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.2 K(o=1.2,f=-7.8!) USER MOD Single : A 64 LYS NZ :NH3+ 139:sc= -0.0733 (180deg=-0.799!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -110:sc= -0.0508 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -6.616 -2.376 9.376 1.00 0.00 N ATOM 245 CA GLU A 14 -6.850 -3.609 8.616 1.00 0.00 C ATOM 246 C GLU A 14 -5.550 -4.115 8.011 1.00 0.00 C ATOM 247 O GLU A 14 -5.376 -5.311 7.804 1.00 0.00 O ATOM 248 CB GLU A 14 -7.839 -3.417 7.439 1.00 0.00 C ATOM 249 CG GLU A 14 -9.074 -2.578 7.706 1.00 0.00 C ATOM 250 CD GLU A 14 -8.767 -1.104 7.674 1.00 0.00 C ATOM 251 OE1 GLU A 14 -8.690 -0.534 6.566 1.00 0.00 O ATOM 252 OE2 GLU A 14 -8.584 -0.504 8.748 1.00 0.00 O ATOM 0 HA GLU A 14 -7.271 -4.315 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.295 -2.964 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.165 -4.403 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.837 -2.807 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.489 -2.842 8.679 1.00 0.00 H new ATOM 259 N ILE A 15 -4.616 -3.203 7.766 1.00 0.00 N ATOM 260 CA ILE A 15 -3.412 -3.564 7.078 1.00 0.00 C ATOM 261 C ILE A 15 -2.381 -3.982 8.079 1.00 0.00 C ATOM 262 O ILE A 15 -1.452 -4.736 7.766 1.00 0.00 O ATOM 263 CB ILE A 15 -2.885 -2.392 6.174 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.324 -1.227 6.992 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.994 -1.886 5.272 1.00 0.00 C ATOM 266 CD1 ILE A 15 -0.817 -1.111 6.947 1.00 0.00 C ATOM 0 H ILE A 15 -4.680 -2.221 8.036 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.626 -4.399 6.411 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.070 -2.798 5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.760 -0.297 6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.638 -1.341 8.029 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.616 -1.074 4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.344 -2.698 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.821 -1.522 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.499 -0.261 7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.370 -2.024 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.494 -0.964 5.916 1.00 0.00 H new ATOM 278 N LYS A 16 -2.598 -3.546 9.308 1.00 0.00 N ATOM 279 CA LYS A 16 -1.666 -3.773 10.378 1.00 0.00 C ATOM 280 C LYS A 16 -1.588 -5.232 10.716 1.00 0.00 C ATOM 281 O LYS A 16 -0.535 -5.854 10.627 1.00 0.00 O ATOM 282 CB LYS A 16 -2.003 -2.940 11.628 1.00 0.00 C ATOM 283 CG LYS A 16 -2.117 -1.431 11.403 1.00 0.00 C ATOM 284 CD LYS A 16 -0.970 -0.906 10.577 1.00 0.00 C ATOM 285 CE LYS A 16 -0.822 0.609 10.673 1.00 0.00 C ATOM 286 NZ LYS A 16 -2.050 1.318 10.277 1.00 0.00 N ATOM 0 H LYS A 16 -3.430 -3.024 9.584 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.688 -3.445 10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.945 -3.300 12.040 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.236 -3.121 12.381 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.059 -1.207 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.138 -0.919 12.365 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.045 -1.379 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.119 -1.187 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.562 0.882 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.002 0.932 10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.870 2.342 10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.343 1.003 9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.806 1.110 10.960 1.00 0.00 H new ATOM 300 N LYS A 17 -2.720 -5.786 10.996 1.00 0.00 N ATOM 301 CA LYS A 17 -2.828 -7.183 11.383 1.00 0.00 C ATOM 302 C LYS A 17 -2.779 -8.097 10.150 1.00 0.00 C ATOM 303 O LYS A 17 -2.876 -9.323 10.254 1.00 0.00 O ATOM 304 CB LYS A 17 -4.134 -7.403 12.144 1.00 0.00 C ATOM 305 CG LYS A 17 -4.295 -6.523 13.382 1.00 0.00 C ATOM 306 CD LYS A 17 -5.630 -6.769 14.073 1.00 0.00 C ATOM 307 CE LYS A 17 -5.751 -8.198 14.588 1.00 0.00 C ATOM 308 NZ LYS A 17 -4.752 -8.499 15.635 1.00 0.00 N ATOM 0 H LYS A 17 -3.612 -5.292 10.967 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.984 -7.433 12.026 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.970 -7.218 11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.194 -8.449 12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.481 -6.722 14.079 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.220 -5.474 13.096 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.741 -6.073 14.905 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.442 -6.565 13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.753 -8.355 14.988 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.626 -8.894 13.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.975 -9.415 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.804 -8.541 15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.773 -7.753 16.359 1.00 0.00 H new ATOM 322 N LYS A 18 -2.613 -7.500 8.989 1.00 0.00 N ATOM 323 CA LYS A 18 -2.614 -8.254 7.771 1.00 0.00 C ATOM 324 C LYS A 18 -1.183 -8.520 7.326 1.00 0.00 C ATOM 325 O LYS A 18 -0.801 -9.668 7.091 1.00 0.00 O ATOM 326 CB LYS A 18 -3.344 -7.502 6.676 1.00 0.00 C ATOM 327 CG LYS A 18 -3.869 -8.389 5.553 1.00 0.00 C ATOM 328 CD LYS A 18 -5.155 -9.110 5.956 1.00 0.00 C ATOM 329 CE LYS A 18 -6.287 -8.111 6.198 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.564 -8.763 6.545 1.00 0.00 N ATOM 0 H LYS A 18 -2.476 -6.496 8.871 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.126 -9.199 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.181 -6.961 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.671 -6.757 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.054 -7.782 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.109 -9.123 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.444 -9.811 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.981 -9.695 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.001 -7.433 7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.426 -7.504 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.294 -8.038 6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.856 -9.390 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.444 -9.321 7.414 1.00 0.00 H new ATOM 344 N PHE A 19 -0.379 -7.468 7.212 1.00 0.00 N ATOM 345 CA PHE A 19 0.989 -7.648 6.756 1.00 0.00 C ATOM 346 C PHE A 19 1.906 -7.862 7.944 1.00 0.00 C ATOM 347 O PHE A 19 2.878 -8.605 7.835 1.00 0.00 O ATOM 348 CB PHE A 19 1.472 -6.451 5.908 1.00 0.00 C ATOM 349 CG PHE A 19 2.754 -6.704 5.145 1.00 0.00 C ATOM 350 CD1 PHE A 19 2.729 -7.230 3.866 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.972 -6.390 5.698 1.00 0.00 C ATOM 352 CE1 PHE A 19 3.907 -7.426 3.164 1.00 0.00 C ATOM 353 CE2 PHE A 19 5.141 -6.594 5.006 1.00 0.00 C ATOM 354 CZ PHE A 19 5.122 -7.101 3.743 1.00 0.00 C ATOM 0 H PHE A 19 -0.644 -6.506 7.424 1.00 0.00 H new ATOM 0 HA PHE A 19 1.017 -8.531 6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.688 -6.183 5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.617 -5.592 6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.784 -7.490 3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.011 -5.975 6.694 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.878 -7.833 2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.085 -6.349 5.469 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.043 -7.248 3.199 1.00 0.00 H new ATOM 364 N LYS A 20 1.506 -7.295 9.102 1.00 0.00 N ATOM 365 CA LYS A 20 2.297 -7.281 10.347 1.00 0.00 C ATOM 366 C LYS A 20 3.380 -6.233 10.257 1.00 0.00 C ATOM 367 O LYS A 20 4.439 -6.466 9.701 1.00 0.00 O ATOM 368 CB LYS A 20 2.898 -8.659 10.713 1.00 0.00 C ATOM 369 CG LYS A 20 3.822 -8.644 11.916 1.00 0.00 C ATOM 370 CD LYS A 20 4.892 -9.705 11.774 1.00 0.00 C ATOM 371 CE LYS A 20 5.869 -9.660 12.926 1.00 0.00 C ATOM 372 NZ LYS A 20 7.043 -10.512 12.677 1.00 0.00 N ATOM 0 H LYS A 20 0.606 -6.825 9.198 1.00 0.00 H new ATOM 0 HA LYS A 20 1.608 -7.032 11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.083 -9.357 10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.448 -9.041 9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.285 -7.662 12.014 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.247 -8.818 12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.427 -10.690 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.427 -9.561 10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.193 -8.632 13.088 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.370 -9.985 13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.288 -11.028 13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.825 -11.191 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.847 -9.919 12.389 1.00 0.00 H new ATOM 386 N LEU A 21 3.073 -5.045 10.682 1.00 0.00 N ATOM 387 CA LEU A 21 4.063 -3.999 10.681 1.00 0.00 C ATOM 388 C LEU A 21 4.629 -3.803 12.064 1.00 0.00 C ATOM 389 O LEU A 21 5.827 -3.616 12.238 1.00 0.00 O ATOM 390 CB LEU A 21 3.537 -2.684 10.088 1.00 0.00 C ATOM 391 CG LEU A 21 2.925 -2.780 8.663 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.784 -3.652 7.795 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.480 -3.288 8.648 1.00 0.00 C ATOM 0 H LEU A 21 2.155 -4.772 11.032 1.00 0.00 H new ATOM 0 HA LEU A 21 4.871 -4.320 10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.780 -2.281 10.761 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.356 -1.966 10.063 1.00 0.00 H new ATOM 0 HG LEU A 21 2.898 -1.764 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.348 -3.714 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.785 -3.225 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.844 -4.651 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.119 -3.329 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.440 -4.285 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.851 -2.612 9.227 1.00 0.00 H new ATOM 405 N THR A 22 3.730 -3.846 13.038 1.00 0.00 N ATOM 406 CA THR A 22 3.987 -3.689 14.478 1.00 0.00 C ATOM 407 C THR A 22 4.512 -2.295 14.832 1.00 0.00 C ATOM 408 O THR A 22 5.004 -2.061 15.935 1.00 0.00 O ATOM 409 CB THR A 22 4.896 -4.819 15.080 1.00 0.00 C ATOM 410 OG1 THR A 22 6.223 -4.821 14.506 1.00 0.00 O ATOM 411 CG2 THR A 22 4.255 -6.178 14.855 1.00 0.00 C ATOM 0 H THR A 22 2.741 -4.000 12.841 1.00 0.00 H new ATOM 0 HA THR A 22 3.012 -3.799 14.953 1.00 0.00 H new ATOM 0 HB THR A 22 4.991 -4.617 16.147 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.300 -4.091 13.856 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.893 -6.955 15.276 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.280 -6.206 15.342 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.132 -6.350 13.786 1.00 0.00 H new ATOM 459 N GLN A 26 7.898 3.020 7.438 1.00 0.00 N ATOM 460 CA GLN A 26 7.982 4.128 6.525 1.00 0.00 C ATOM 461 C GLN A 26 8.481 3.665 5.173 1.00 0.00 C ATOM 462 O GLN A 26 8.832 2.493 4.996 1.00 0.00 O ATOM 463 CB GLN A 26 8.902 5.204 7.086 1.00 0.00 C ATOM 464 CG GLN A 26 10.352 4.792 7.141 1.00 0.00 C ATOM 465 CD GLN A 26 11.212 5.794 7.858 1.00 0.00 C ATOM 466 OE1 GLN A 26 10.744 6.506 8.758 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.464 5.844 7.501 1.00 0.00 N ATOM 0 HA GLN A 26 6.985 4.549 6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.811 6.102 6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.570 5.467 8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.433 3.827 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.726 4.658 6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.806 5.239 6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.102 6.488 7.968 1.00 0.00 H new ATOM 476 N VAL A 27 8.514 4.586 4.240 1.00 0.00 N ATOM 477 CA VAL A 27 8.932 4.324 2.889 1.00 0.00 C ATOM 478 C VAL A 27 10.382 3.886 2.810 1.00 0.00 C ATOM 479 O VAL A 27 11.284 4.461 3.439 1.00 0.00 O ATOM 480 CB VAL A 27 8.706 5.565 1.994 1.00 0.00 C ATOM 481 CG1 VAL A 27 9.413 5.453 0.662 1.00 0.00 C ATOM 482 CG2 VAL A 27 7.239 5.790 1.768 1.00 0.00 C ATOM 0 H VAL A 27 8.245 5.556 4.405 1.00 0.00 H new ATOM 0 HA VAL A 27 8.318 3.501 2.524 1.00 0.00 H new ATOM 0 HB VAL A 27 9.132 6.417 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.222 6.350 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.485 5.349 0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.042 4.580 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.099 6.667 1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.808 4.917 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.744 5.950 2.726 1.00 0.00 H new ATOM 492 N ILE A 28 10.574 2.869 2.052 1.00 0.00 N ATOM 493 CA ILE A 28 11.867 2.336 1.751 1.00 0.00 C ATOM 494 C ILE A 28 12.257 2.799 0.353 1.00 0.00 C ATOM 495 O ILE A 28 13.415 3.147 0.100 1.00 0.00 O ATOM 496 CB ILE A 28 11.855 0.776 1.805 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.526 0.281 3.222 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.169 0.173 1.314 1.00 0.00 C ATOM 499 CD1 ILE A 28 12.516 0.707 4.289 1.00 0.00 C ATOM 0 H ILE A 28 9.812 2.361 1.604 1.00 0.00 H new ATOM 0 HA ILE A 28 12.586 2.690 2.489 1.00 0.00 H new ATOM 0 HB ILE A 28 11.071 0.438 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.536 0.645 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.473 -0.808 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.114 -0.914 1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.344 0.475 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.988 0.527 1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.202 0.312 5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 28 13.505 0.321 4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.553 1.795 4.337 1.00 0.00 H new ATOM 511 N HIS A 29 11.258 2.864 -0.538 1.00 0.00 N ATOM 512 CA HIS A 29 11.459 3.218 -1.956 1.00 0.00 C ATOM 513 C HIS A 29 10.133 3.473 -2.568 1.00 0.00 C ATOM 514 O HIS A 29 9.096 3.346 -1.910 1.00 0.00 O ATOM 515 CB HIS A 29 12.075 2.064 -2.806 1.00 0.00 C ATOM 516 CG HIS A 29 13.509 1.734 -2.588 1.00 0.00 C ATOM 517 ND1 HIS A 29 13.925 0.498 -2.172 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.628 2.468 -2.752 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.229 0.483 -2.081 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.681 1.666 -2.427 1.00 0.00 N ATOM 0 H HIS A 29 10.285 2.673 -0.299 1.00 0.00 H new ATOM 0 HA HIS A 29 12.133 4.074 -1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.491 1.162 -2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 29 11.945 2.317 -3.858 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.680 3.496 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.832 -0.359 -1.774 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.663 1.941 -2.449 1.00 0.00 H new ATOM 529 N LEU A 30 10.154 3.759 -3.821 1.00 0.00 N ATOM 530 CA LEU A 30 8.980 3.846 -4.593 1.00 0.00 C ATOM 531 C LEU A 30 9.046 2.672 -5.508 1.00 0.00 C ATOM 532 O LEU A 30 10.115 2.295 -5.937 1.00 0.00 O ATOM 533 CB LEU A 30 8.888 5.146 -5.441 1.00 0.00 C ATOM 534 CG LEU A 30 8.842 6.505 -4.712 1.00 0.00 C ATOM 535 CD1 LEU A 30 7.744 6.543 -3.663 1.00 0.00 C ATOM 536 CD2 LEU A 30 10.189 6.879 -4.124 1.00 0.00 C ATOM 0 H LEU A 30 11.010 3.942 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 30 8.106 3.861 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.744 5.162 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.995 5.073 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 30 8.601 7.259 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.744 7.516 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.778 6.378 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.921 5.763 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.111 7.842 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.497 6.118 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.928 6.946 -4.922 1.00 0.00 H new ATOM 548 N ALA A 31 7.978 2.049 -5.716 1.00 0.00 N ATOM 549 CA ALA A 31 7.919 0.964 -6.661 1.00 0.00 C ATOM 550 C ALA A 31 7.069 1.357 -7.830 1.00 0.00 C ATOM 551 O ALA A 31 6.263 2.256 -7.742 1.00 0.00 O ATOM 552 CB ALA A 31 7.405 -0.326 -6.047 1.00 0.00 C ATOM 0 H ALA A 31 7.095 2.254 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 31 8.939 0.768 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.383 -1.107 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.064 -0.630 -5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.399 -0.169 -5.659 1.00 0.00 H new ATOM 558 N LYS A 32 7.256 0.715 -8.902 1.00 0.00 N ATOM 559 CA LYS A 32 6.475 0.967 -10.046 1.00 0.00 C ATOM 560 C LYS A 32 5.544 -0.184 -10.208 1.00 0.00 C ATOM 561 O LYS A 32 5.972 -1.333 -10.089 1.00 0.00 O ATOM 562 CB LYS A 32 7.349 1.131 -11.286 1.00 0.00 C ATOM 563 CG LYS A 32 6.564 1.395 -12.565 1.00 0.00 C ATOM 564 CD LYS A 32 7.476 1.575 -13.762 1.00 0.00 C ATOM 565 CE LYS A 32 8.347 0.356 -14.002 1.00 0.00 C ATOM 566 NZ LYS A 32 9.209 0.521 -15.187 1.00 0.00 N ATOM 0 H LYS A 32 7.962 -0.011 -9.020 1.00 0.00 H new ATOM 0 HA LYS A 32 5.921 1.898 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.044 1.954 -11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.947 0.230 -11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.882 0.565 -12.750 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.952 2.288 -12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.875 1.771 -14.650 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.110 2.448 -13.607 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.967 0.174 -13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.715 -0.522 -14.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.788 -0.333 -15.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.617 0.669 -16.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.831 1.344 -15.052 1.00 0.00 H new ATOM 580 N ALA A 33 4.277 0.100 -10.388 1.00 0.00 N ATOM 581 CA ALA A 33 3.338 -0.926 -10.681 1.00 0.00 C ATOM 582 C ALA A 33 3.694 -1.509 -12.020 1.00 0.00 C ATOM 583 O ALA A 33 3.630 -0.821 -13.033 1.00 0.00 O ATOM 584 CB ALA A 33 1.961 -0.349 -10.722 1.00 0.00 C ATOM 0 H ALA A 33 3.883 1.039 -10.334 1.00 0.00 H new ATOM 0 HA ALA A 33 3.364 -1.701 -9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.243 -1.137 -10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.723 0.094 -9.755 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.911 0.418 -11.494 1.00 0.00 H new ATOM 590 N CYS A 34 4.117 -2.730 -11.997 1.00 0.00 N ATOM 591 CA CYS A 34 4.550 -3.435 -13.183 1.00 0.00 C ATOM 592 C CYS A 34 3.342 -3.992 -13.915 1.00 0.00 C ATOM 593 O CYS A 34 3.404 -4.327 -15.090 1.00 0.00 O ATOM 594 CB CYS A 34 5.501 -4.570 -12.789 1.00 0.00 C ATOM 595 SG CYS A 34 6.302 -5.422 -14.170 1.00 0.00 S ATOM 0 H CYS A 34 4.177 -3.285 -11.144 1.00 0.00 H new ATOM 0 HA CYS A 34 5.077 -2.747 -13.844 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.274 -4.164 -12.136 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.944 -5.303 -12.206 1.00 0.00 H new ATOM 0 HG CYS A 34 7.361 -4.761 -14.532 1.00 0.00 H new ATOM 601 N CYS A 35 2.249 -4.098 -13.217 1.00 0.00 N ATOM 602 CA CYS A 35 1.027 -4.590 -13.788 1.00 0.00 C ATOM 603 C CYS A 35 -0.112 -3.771 -13.248 1.00 0.00 C ATOM 604 O CYS A 35 0.027 -3.132 -12.203 1.00 0.00 O ATOM 605 CB CYS A 35 0.832 -6.060 -13.404 1.00 0.00 C ATOM 606 SG CYS A 35 2.207 -7.129 -13.875 1.00 0.00 S ATOM 0 H CYS A 35 2.179 -3.845 -12.231 1.00 0.00 H new ATOM 0 HA CYS A 35 1.064 -4.512 -14.875 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.686 -6.127 -12.326 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.080 -6.430 -13.873 1.00 0.00 H new ATOM 0 HG CYS A 35 1.953 -8.350 -13.508 1.00 0.00 H new ATOM 612 N ASP A 36 -1.207 -3.731 -13.958 1.00 0.00 N ATOM 613 CA ASP A 36 -2.377 -3.077 -13.439 1.00 0.00 C ATOM 614 C ASP A 36 -3.254 -4.142 -12.819 1.00 0.00 C ATOM 615 O ASP A 36 -3.781 -5.033 -13.490 1.00 0.00 O ATOM 616 CB ASP A 36 -3.128 -2.214 -14.502 1.00 0.00 C ATOM 617 CG ASP A 36 -4.165 -2.931 -15.352 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.796 -3.661 -16.283 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.384 -2.738 -15.102 1.00 0.00 O ATOM 0 H ASP A 36 -1.314 -4.139 -14.887 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.081 -2.350 -12.682 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.621 -1.391 -13.985 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.387 -1.774 -15.169 1.00 0.00 H new ATOM 624 N VAL A 37 -3.300 -4.136 -11.546 1.00 0.00 N ATOM 625 CA VAL A 37 -4.058 -5.120 -10.818 1.00 0.00 C ATOM 626 C VAL A 37 -5.224 -4.417 -10.123 1.00 0.00 C ATOM 627 O VAL A 37 -5.095 -3.259 -9.707 1.00 0.00 O ATOM 628 CB VAL A 37 -3.133 -5.876 -9.802 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.667 -4.985 -8.709 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.767 -7.114 -9.229 1.00 0.00 C ATOM 0 H VAL A 37 -2.818 -3.454 -10.960 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.460 -5.872 -11.497 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.269 -6.197 -10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.029 -5.548 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.102 -4.155 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.528 -4.597 -8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.075 -7.589 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.682 -6.844 -8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.005 -7.808 -10.035 1.00 0.00 H new ATOM 640 N LYS A 38 -6.355 -5.070 -10.012 1.00 0.00 N ATOM 641 CA LYS A 38 -7.505 -4.440 -9.374 1.00 0.00 C ATOM 642 C LYS A 38 -7.556 -4.735 -7.896 1.00 0.00 C ATOM 643 O LYS A 38 -8.535 -4.428 -7.229 1.00 0.00 O ATOM 644 CB LYS A 38 -8.863 -4.756 -10.059 1.00 0.00 C ATOM 645 CG LYS A 38 -9.184 -6.231 -10.306 1.00 0.00 C ATOM 646 CD LYS A 38 -8.553 -6.746 -11.598 1.00 0.00 C ATOM 647 CE LYS A 38 -9.109 -6.009 -12.814 1.00 0.00 C ATOM 648 NZ LYS A 38 -8.516 -6.491 -14.076 1.00 0.00 N ATOM 0 H LYS A 38 -6.512 -6.021 -10.346 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.351 -3.369 -9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.659 -4.333 -9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.889 -4.238 -11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.826 -6.826 -9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.265 -6.364 -10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.471 -6.617 -11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.743 -7.815 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.191 -6.136 -12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.917 -4.941 -12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.922 -5.963 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.486 -6.346 -14.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.721 -7.504 -14.191 1.00 0.00 H new ATOM 662 N GLY A 39 -6.480 -5.265 -7.373 1.00 0.00 N ATOM 663 CA GLY A 39 -6.412 -5.545 -5.965 1.00 0.00 C ATOM 664 C GLY A 39 -7.139 -6.801 -5.616 1.00 0.00 C ATOM 665 O GLY A 39 -7.902 -6.845 -4.655 1.00 0.00 O ATOM 0 H GLY A 39 -5.642 -5.510 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.369 -5.632 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.838 -4.711 -5.407 1.00 0.00 H new ATOM 669 N GLY A 40 -6.891 -7.811 -6.375 1.00 0.00 N ATOM 670 CA GLY A 40 -7.537 -9.056 -6.159 1.00 0.00 C ATOM 671 C GLY A 40 -6.649 -9.938 -5.365 1.00 0.00 C ATOM 672 O GLY A 40 -5.434 -9.783 -5.435 1.00 0.00 O ATOM 0 H GLY A 40 -6.238 -7.797 -7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.480 -8.903 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.776 -9.525 -7.113 1.00 0.00 H new ATOM 676 N LYS A 41 -7.245 -10.839 -4.600 1.00 0.00 N ATOM 677 CA LYS A 41 -6.526 -11.771 -3.735 1.00 0.00 C ATOM 678 C LYS A 41 -5.866 -10.977 -2.586 1.00 0.00 C ATOM 679 O LYS A 41 -4.817 -11.353 -2.036 1.00 0.00 O ATOM 680 CB LYS A 41 -5.525 -12.617 -4.578 1.00 0.00 C ATOM 681 CG LYS A 41 -4.942 -13.836 -3.879 1.00 0.00 C ATOM 682 CD LYS A 41 -4.245 -14.758 -4.873 1.00 0.00 C ATOM 683 CE LYS A 41 -2.980 -14.162 -5.475 1.00 0.00 C ATOM 684 NZ LYS A 41 -1.908 -14.049 -4.476 1.00 0.00 N ATOM 0 H LYS A 41 -8.258 -10.948 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.206 -12.489 -3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.031 -12.948 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.704 -11.971 -4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.233 -13.517 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.736 -14.381 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.993 -15.693 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.939 -15.003 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.642 -14.785 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.201 -13.177 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.024 -13.768 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.167 -13.332 -3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.774 -14.967 -4.006 1.00 0.00 H new ATOM 698 N ASN A 42 -6.561 -9.887 -2.210 1.00 0.00 N ATOM 699 CA ASN A 42 -6.189 -8.975 -1.114 1.00 0.00 C ATOM 700 C ASN A 42 -4.912 -8.199 -1.495 1.00 0.00 C ATOM 701 O ASN A 42 -3.998 -8.037 -0.688 1.00 0.00 O ATOM 702 CB ASN A 42 -5.984 -9.760 0.208 1.00 0.00 C ATOM 703 CG ASN A 42 -6.261 -8.967 1.494 1.00 0.00 C ATOM 704 OD1 ASN A 42 -6.260 -7.663 1.436 1.00 0.00 O flip ATOM 705 ND2 ASN A 42 -6.530 -9.562 2.542 1.00 0.00 N flip ATOM 0 H ASN A 42 -7.424 -9.609 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.999 -8.263 -0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.632 -10.636 0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.957 -10.124 0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.525 -10.582 2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.757 -9.034 3.384 1.00 0.00 H new ATOM 712 N GLU A 43 -4.896 -7.684 -2.709 1.00 0.00 N ATOM 713 CA GLU A 43 -3.764 -6.922 -3.229 1.00 0.00 C ATOM 714 C GLU A 43 -4.126 -5.429 -3.199 1.00 0.00 C ATOM 715 O GLU A 43 -5.204 -5.057 -2.720 1.00 0.00 O ATOM 716 CB GLU A 43 -3.484 -7.316 -4.687 1.00 0.00 C ATOM 717 CG GLU A 43 -2.071 -7.806 -4.966 1.00 0.00 C ATOM 718 CD GLU A 43 -1.805 -9.192 -4.428 1.00 0.00 C ATOM 719 OE1 GLU A 43 -2.285 -10.172 -5.017 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.098 -9.333 -3.439 1.00 0.00 O ATOM 0 H GLU A 43 -5.668 -7.779 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.884 -7.127 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.186 -8.098 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.685 -6.455 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.898 -7.801 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.358 -7.109 -4.525 1.00 0.00 H new ATOM 727 N LEU A 44 -3.264 -4.586 -3.722 1.00 0.00 N ATOM 728 CA LEU A 44 -3.559 -3.158 -3.823 1.00 0.00 C ATOM 729 C LEU A 44 -4.096 -2.927 -5.208 1.00 0.00 C ATOM 730 O LEU A 44 -3.730 -3.633 -6.137 1.00 0.00 O ATOM 731 CB LEU A 44 -2.252 -2.355 -3.690 1.00 0.00 C ATOM 732 CG LEU A 44 -2.340 -0.913 -3.117 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.990 -0.368 -2.984 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.141 0.042 -3.954 1.00 0.00 C ATOM 0 H LEU A 44 -2.350 -4.856 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.261 -2.852 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.572 -2.925 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.794 -2.295 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.852 -1.006 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.044 0.644 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.409 -0.996 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.509 -0.345 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.149 1.023 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.693 0.122 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.163 -0.325 -4.047 1.00 0.00 H new ATOM 746 N SER A 45 -4.983 -1.994 -5.346 1.00 0.00 N ATOM 747 CA SER A 45 -5.522 -1.714 -6.628 1.00 0.00 C ATOM 748 C SER A 45 -4.765 -0.548 -7.264 1.00 0.00 C ATOM 749 O SER A 45 -4.809 0.576 -6.764 1.00 0.00 O ATOM 750 CB SER A 45 -7.013 -1.432 -6.528 1.00 0.00 C ATOM 751 OG SER A 45 -7.667 -2.412 -5.697 1.00 0.00 O ATOM 0 H SER A 45 -5.345 -1.417 -4.587 1.00 0.00 H new ATOM 0 HA SER A 45 -5.400 -2.586 -7.271 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.172 -0.436 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.456 -1.440 -7.524 1.00 0.00 H new ATOM 0 HG SER A 45 -8.203 -3.011 -6.258 1.00 0.00 H new ATOM 757 N PHE A 46 -4.088 -0.825 -8.353 1.00 0.00 N ATOM 758 CA PHE A 46 -3.265 0.157 -9.033 1.00 0.00 C ATOM 759 C PHE A 46 -3.199 -0.125 -10.515 1.00 0.00 C ATOM 760 O PHE A 46 -3.740 -1.120 -11.000 1.00 0.00 O ATOM 761 CB PHE A 46 -1.838 0.227 -8.423 1.00 0.00 C ATOM 762 CG PHE A 46 -1.166 -1.102 -8.235 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.573 -1.755 -9.290 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.112 -1.676 -6.993 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.064 -2.961 -9.108 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.485 -2.877 -6.804 1.00 0.00 C ATOM 767 CZ PHE A 46 0.108 -3.523 -7.862 1.00 0.00 C ATOM 0 H PHE A 46 -4.090 -1.743 -8.798 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.734 1.130 -8.890 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.213 0.846 -9.067 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.896 0.729 -7.457 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.608 -1.315 -10.276 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.570 -1.175 -6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.527 -3.462 -9.945 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.456 -3.319 -5.819 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.606 -4.469 -7.710 1.00 0.00 H new ATOM 777 N LYS A 47 -2.520 0.735 -11.215 1.00 0.00 N ATOM 778 CA LYS A 47 -2.353 0.640 -12.632 1.00 0.00 C ATOM 779 C LYS A 47 -0.896 0.653 -12.919 1.00 0.00 C ATOM 780 O LYS A 47 -0.135 1.235 -12.153 1.00 0.00 O ATOM 781 CB LYS A 47 -3.049 1.810 -13.341 1.00 0.00 C ATOM 782 CG LYS A 47 -4.557 1.749 -13.267 1.00 0.00 C ATOM 783 CD LYS A 47 -5.084 0.609 -14.109 1.00 0.00 C ATOM 784 CE LYS A 47 -6.568 0.410 -13.932 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.080 -0.638 -14.832 1.00 0.00 N ATOM 0 H LYS A 47 -2.055 1.544 -10.803 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.805 -0.281 -13.001 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.709 2.746 -12.899 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.745 1.823 -14.388 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.871 1.619 -12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.982 2.691 -13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.868 0.805 -15.159 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.561 -0.310 -13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.780 0.139 -12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.089 1.347 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.093 -0.787 -14.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.945 -0.343 -15.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.564 -1.525 -14.661 1.00 0.00 H new ATOM 799 N GLN A 48 -0.509 -0.004 -13.975 1.00 0.00 N ATOM 800 CA GLN A 48 0.880 -0.078 -14.390 1.00 0.00 C ATOM 801 C GLN A 48 1.419 1.345 -14.560 1.00 0.00 C ATOM 802 O GLN A 48 0.838 2.164 -15.298 1.00 0.00 O ATOM 803 CB GLN A 48 0.985 -0.916 -15.692 1.00 0.00 C ATOM 804 CG GLN A 48 2.388 -1.407 -16.078 1.00 0.00 C ATOM 805 CD GLN A 48 3.233 -0.462 -16.924 1.00 0.00 C ATOM 806 OE1 GLN A 48 3.121 0.759 -16.869 1.00 0.00 O ATOM 807 NE2 GLN A 48 4.096 -1.031 -17.707 1.00 0.00 N ATOM 0 H GLN A 48 -1.149 -0.512 -14.585 1.00 0.00 H new ATOM 0 HA GLN A 48 1.489 -0.577 -13.637 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.335 -1.785 -15.592 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.594 -0.318 -16.515 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.936 -1.626 -15.162 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.283 -2.347 -16.619 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.168 -2.048 -17.733 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.703 -0.461 -18.297 1.00 0.00 H new ATOM 816 N GLY A 49 2.476 1.639 -13.827 1.00 0.00 N ATOM 817 CA GLY A 49 3.068 2.958 -13.838 1.00 0.00 C ATOM 818 C GLY A 49 2.375 3.955 -12.898 1.00 0.00 C ATOM 819 O GLY A 49 2.437 5.164 -13.121 1.00 0.00 O ATOM 0 H GLY A 49 2.944 0.973 -13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.118 2.877 -13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.039 3.351 -14.854 1.00 0.00 H new ATOM 823 N GLU A 50 1.690 3.461 -11.862 1.00 0.00 N ATOM 824 CA GLU A 50 1.027 4.357 -10.887 1.00 0.00 C ATOM 825 C GLU A 50 1.976 4.951 -9.879 1.00 0.00 C ATOM 826 O GLU A 50 1.714 6.005 -9.333 1.00 0.00 O ATOM 827 CB GLU A 50 -0.110 3.656 -10.154 1.00 0.00 C ATOM 828 CG GLU A 50 -1.451 3.837 -10.809 1.00 0.00 C ATOM 829 CD GLU A 50 -1.833 5.286 -10.908 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.336 5.846 -9.917 1.00 0.00 O ATOM 831 OE2 GLU A 50 -1.626 5.892 -11.984 1.00 0.00 O ATOM 0 H GLU A 50 1.576 2.465 -11.671 1.00 0.00 H new ATOM 0 HA GLU A 50 0.624 5.174 -11.486 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.113 2.591 -10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.160 4.034 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.430 3.398 -11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.209 3.299 -10.239 1.00 0.00 H new ATOM 838 N GLN A 51 3.046 4.243 -9.635 1.00 0.00 N ATOM 839 CA GLN A 51 4.060 4.602 -8.649 1.00 0.00 C ATOM 840 C GLN A 51 3.549 4.340 -7.251 1.00 0.00 C ATOM 841 O GLN A 51 2.709 5.054 -6.687 1.00 0.00 O ATOM 842 CB GLN A 51 4.672 6.012 -8.810 1.00 0.00 C ATOM 843 CG GLN A 51 5.800 6.285 -7.813 1.00 0.00 C ATOM 844 CD GLN A 51 6.526 7.582 -8.070 1.00 0.00 C ATOM 845 OE1 GLN A 51 7.507 7.615 -8.815 1.00 0.00 O ATOM 846 NE2 GLN A 51 6.079 8.645 -7.464 1.00 0.00 N ATOM 0 H GLN A 51 3.253 3.373 -10.125 1.00 0.00 H new ATOM 0 HA GLN A 51 4.908 3.945 -8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.055 6.123 -9.824 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.890 6.760 -8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.387 6.302 -6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.515 5.463 -7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.264 8.580 -6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.544 9.543 -7.599 1.00 0.00 H new ATOM 855 N ILE A 52 4.062 3.299 -6.754 1.00 0.00 N ATOM 856 CA ILE A 52 3.730 2.699 -5.515 1.00 0.00 C ATOM 857 C ILE A 52 4.823 3.106 -4.560 1.00 0.00 C ATOM 858 O ILE A 52 5.892 3.489 -4.992 1.00 0.00 O ATOM 859 CB ILE A 52 3.829 1.154 -5.738 1.00 0.00 C ATOM 860 CG1 ILE A 52 3.006 0.741 -6.982 1.00 0.00 C ATOM 861 CG2 ILE A 52 3.396 0.360 -4.497 1.00 0.00 C ATOM 862 CD1 ILE A 52 1.532 0.677 -6.755 1.00 0.00 C ATOM 0 H ILE A 52 4.797 2.786 -7.241 1.00 0.00 H new ATOM 0 HA ILE A 52 2.745 2.982 -5.145 1.00 0.00 H new ATOM 0 HB ILE A 52 4.877 0.910 -5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.207 1.449 -7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.351 -0.235 -7.323 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.482 -0.708 -4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.037 0.622 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.361 0.601 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.034 0.380 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.315 -0.053 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.169 1.657 -6.446 1.00 0.00 H new ATOM 874 N GLU A 53 4.576 3.074 -3.321 1.00 0.00 N ATOM 875 CA GLU A 53 5.621 3.271 -2.378 1.00 0.00 C ATOM 876 C GLU A 53 5.791 1.956 -1.686 1.00 0.00 C ATOM 877 O GLU A 53 4.797 1.316 -1.322 1.00 0.00 O ATOM 878 CB GLU A 53 5.263 4.299 -1.345 1.00 0.00 C ATOM 879 CG GLU A 53 4.523 5.523 -1.872 1.00 0.00 C ATOM 880 CD GLU A 53 3.847 6.297 -0.767 1.00 0.00 C ATOM 881 OE1 GLU A 53 4.517 7.065 -0.048 1.00 0.00 O ATOM 882 OE2 GLU A 53 2.628 6.129 -0.569 1.00 0.00 O ATOM 0 H GLU A 53 3.653 2.912 -2.917 1.00 0.00 H new ATOM 0 HA GLU A 53 6.520 3.619 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.647 3.824 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.178 4.631 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.225 6.174 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.777 5.209 -2.602 1.00 0.00 H new ATOM 889 N ILE A 54 6.990 1.524 -1.531 1.00 0.00 N ATOM 890 CA ILE A 54 7.223 0.294 -0.847 1.00 0.00 C ATOM 891 C ILE A 54 7.633 0.613 0.572 1.00 0.00 C ATOM 892 O ILE A 54 8.588 1.374 0.812 1.00 0.00 O ATOM 893 CB ILE A 54 8.268 -0.628 -1.568 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.491 -1.929 -0.811 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.571 0.062 -1.811 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.309 -2.844 -0.813 1.00 0.00 C ATOM 0 H ILE A 54 7.828 2.000 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 54 6.300 -0.285 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 54 7.837 -0.866 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.342 -2.451 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.756 -1.696 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.257 -0.621 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.407 0.937 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.001 0.374 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.548 -3.748 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.460 -2.343 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.056 -3.109 -1.840 1.00 0.00 H new ATOM 908 N ILE A 55 6.872 0.116 1.496 1.00 0.00 N ATOM 909 CA ILE A 55 7.125 0.354 2.889 1.00 0.00 C ATOM 910 C ILE A 55 7.694 -0.872 3.588 1.00 0.00 C ATOM 911 O ILE A 55 8.759 -0.802 4.188 1.00 0.00 O ATOM 912 CB ILE A 55 5.914 0.979 3.671 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.564 0.299 3.344 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.830 2.474 3.400 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.905 0.769 2.058 1.00 0.00 C ATOM 0 H ILE A 55 6.056 -0.467 1.309 1.00 0.00 H new ATOM 0 HA ILE A 55 7.895 1.125 2.907 1.00 0.00 H new ATOM 0 HB ILE A 55 6.102 0.806 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.722 -0.778 3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.877 0.473 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.987 2.896 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.752 2.955 3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.691 2.643 2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.965 0.236 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.709 1.839 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.567 0.570 1.216 1.00 0.00 H new ATOM 927 N ARG A 56 7.035 -2.008 3.500 1.00 0.00 N ATOM 928 CA ARG A 56 7.607 -3.183 4.111 1.00 0.00 C ATOM 929 C ARG A 56 7.808 -4.259 3.062 1.00 0.00 C ATOM 930 O ARG A 56 6.975 -4.440 2.187 1.00 0.00 O ATOM 931 CB ARG A 56 6.820 -3.709 5.342 1.00 0.00 C ATOM 932 CG ARG A 56 7.636 -4.755 6.093 1.00 0.00 C ATOM 933 CD ARG A 56 7.121 -5.110 7.475 1.00 0.00 C ATOM 934 NE ARG A 56 8.121 -5.916 8.190 1.00 0.00 N ATOM 935 CZ ARG A 56 8.131 -6.173 9.500 1.00 0.00 C ATOM 936 NH1 ARG A 56 7.019 -6.130 10.199 1.00 0.00 N ATOM 937 NH2 ARG A 56 9.239 -6.590 10.076 1.00 0.00 N ATOM 0 H ARG A 56 6.139 -2.140 3.031 1.00 0.00 H new ATOM 0 HA ARG A 56 8.575 -2.889 4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.580 -2.880 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.874 -4.142 5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.672 -5.664 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.660 -4.394 6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.905 -4.201 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.186 -5.664 7.393 1.00 0.00 H new ATOM 0 HE ARG A 56 8.877 -6.316 7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.137 -5.899 9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.037 -6.328 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.086 -6.716 9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.251 -6.787 11.077 1.00 0.00 H new ATOM 951 N ILE A 57 8.922 -4.925 3.134 1.00 0.00 N ATOM 952 CA ILE A 57 9.302 -5.937 2.166 1.00 0.00 C ATOM 953 C ILE A 57 9.572 -7.259 2.826 1.00 0.00 C ATOM 954 O ILE A 57 9.142 -8.303 2.340 1.00 0.00 O ATOM 955 CB ILE A 57 10.560 -5.547 1.277 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.650 -4.763 2.047 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.166 -4.808 0.023 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.268 -3.321 2.347 1.00 0.00 C ATOM 0 H ILE A 57 9.610 -4.786 3.874 1.00 0.00 H new ATOM 0 HA ILE A 57 8.441 -6.013 1.502 1.00 0.00 H new ATOM 0 HB ILE A 57 11.003 -6.501 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.860 -5.277 2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.571 -4.772 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.060 -4.563 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.509 -5.436 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.644 -3.889 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.080 -2.835 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.086 -2.791 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.364 -3.303 2.956 1.00 0.00 H new ATOM 970 N THR A 58 10.267 -7.233 3.928 1.00 0.00 N ATOM 971 CA THR A 58 10.665 -8.446 4.557 1.00 0.00 C ATOM 972 C THR A 58 10.071 -8.591 5.945 1.00 0.00 C ATOM 973 O THR A 58 9.681 -7.595 6.564 1.00 0.00 O ATOM 974 CB THR A 58 12.194 -8.585 4.560 1.00 0.00 C ATOM 975 OG1 THR A 58 12.801 -7.386 5.085 1.00 0.00 O ATOM 976 CG2 THR A 58 12.703 -8.836 3.150 1.00 0.00 C ATOM 0 H THR A 58 10.566 -6.382 4.404 1.00 0.00 H new ATOM 0 HA THR A 58 10.263 -9.271 3.969 1.00 0.00 H new ATOM 0 HB THR A 58 12.463 -9.431 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 58 13.776 -7.486 5.084 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.789 -8.933 3.167 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.263 -9.755 2.763 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.423 -8.001 2.508 1.00 0.00 H new ATOM 984 N ASP A 59 10.021 -9.831 6.401 1.00 0.00 N ATOM 985 CA ASP A 59 9.415 -10.258 7.662 1.00 0.00 C ATOM 986 C ASP A 59 7.919 -10.178 7.602 1.00 0.00 C ATOM 987 O ASP A 59 7.283 -9.298 8.170 1.00 0.00 O ATOM 988 CB ASP A 59 9.986 -9.619 8.948 1.00 0.00 C ATOM 989 CG ASP A 59 9.343 -10.202 10.215 1.00 0.00 C ATOM 990 OD1 ASP A 59 9.283 -11.452 10.356 1.00 0.00 O ATOM 991 OD2 ASP A 59 8.938 -9.445 11.117 1.00 0.00 O ATOM 0 H ASP A 59 10.421 -10.611 5.879 1.00 0.00 H new ATOM 0 HA ASP A 59 9.710 -11.303 7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.064 -9.777 8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.822 -8.542 8.921 1.00 0.00 H new ATOM 996 N ASN A 60 7.385 -11.045 6.806 1.00 0.00 N ATOM 997 CA ASN A 60 5.966 -11.212 6.673 1.00 0.00 C ATOM 998 C ASN A 60 5.737 -12.676 6.357 1.00 0.00 C ATOM 999 O ASN A 60 6.553 -13.288 5.673 1.00 0.00 O ATOM 1000 CB ASN A 60 5.366 -10.305 5.567 1.00 0.00 C ATOM 1001 CG ASN A 60 5.723 -10.728 4.152 1.00 0.00 C ATOM 1002 OD1 ASN A 60 5.004 -11.512 3.534 1.00 0.00 O ATOM 1003 ND2 ASN A 60 6.814 -10.224 3.637 1.00 0.00 N ATOM 0 H ASN A 60 7.930 -11.673 6.215 1.00 0.00 H new ATOM 0 HA ASN A 60 5.465 -10.917 7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.281 -10.297 5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.709 -9.283 5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.096 -10.478 2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.383 -9.577 4.182 1.00 0.00 H new ATOM 1010 N PRO A 61 4.663 -13.274 6.851 1.00 0.00 N ATOM 1011 CA PRO A 61 4.403 -14.704 6.683 1.00 0.00 C ATOM 1012 C PRO A 61 3.838 -15.091 5.307 1.00 0.00 C ATOM 1013 O PRO A 61 3.396 -16.224 5.118 1.00 0.00 O ATOM 1014 CB PRO A 61 3.368 -15.011 7.785 1.00 0.00 C ATOM 1015 CG PRO A 61 3.225 -13.745 8.574 1.00 0.00 C ATOM 1016 CD PRO A 61 3.626 -12.639 7.652 1.00 0.00 C ATOM 0 HA PRO A 61 5.331 -15.272 6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.414 -15.312 7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.704 -15.831 8.419 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.199 -13.613 8.919 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.859 -13.764 9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.792 -12.295 7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.003 -11.772 8.194 1.00 0.00 H new ATOM 1024 N GLU A 62 3.878 -14.189 4.350 1.00 0.00 N ATOM 1025 CA GLU A 62 3.316 -14.472 3.043 1.00 0.00 C ATOM 1026 C GLU A 62 4.453 -14.628 2.021 1.00 0.00 C ATOM 1027 O GLU A 62 4.688 -15.718 1.484 1.00 0.00 O ATOM 1028 CB GLU A 62 2.380 -13.319 2.623 1.00 0.00 C ATOM 1029 CG GLU A 62 1.315 -13.659 1.569 1.00 0.00 C ATOM 1030 CD GLU A 62 1.840 -14.261 0.278 1.00 0.00 C ATOM 1031 OE1 GLU A 62 2.424 -13.543 -0.547 1.00 0.00 O ATOM 1032 OE2 GLU A 62 1.648 -15.459 0.063 1.00 0.00 O ATOM 0 H GLU A 62 4.289 -13.261 4.448 1.00 0.00 H new ATOM 0 HA GLU A 62 2.742 -15.398 3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.874 -12.947 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.993 -12.503 2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.602 -14.355 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.765 -12.750 1.328 1.00 0.00 H new ATOM 1039 N GLY A 63 5.166 -13.552 1.802 1.00 0.00 N ATOM 1040 CA GLY A 63 6.188 -13.508 0.786 1.00 0.00 C ATOM 1041 C GLY A 63 5.959 -12.334 -0.138 1.00 0.00 C ATOM 1042 O GLY A 63 6.753 -12.057 -1.030 1.00 0.00 O ATOM 0 H GLY A 63 5.055 -12.682 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.170 -13.427 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.182 -14.436 0.214 1.00 0.00 H new ATOM 1046 N LYS A 64 4.848 -11.668 0.062 1.00 0.00 N ATOM 1047 CA LYS A 64 4.477 -10.490 -0.684 1.00 0.00 C ATOM 1048 C LYS A 64 5.003 -9.234 0.003 1.00 0.00 C ATOM 1049 O LYS A 64 5.449 -9.283 1.142 1.00 0.00 O ATOM 1050 CB LYS A 64 2.968 -10.393 -0.888 1.00 0.00 C ATOM 1051 CG LYS A 64 2.188 -10.080 0.350 1.00 0.00 C ATOM 1052 CD LYS A 64 0.673 -9.954 0.111 1.00 0.00 C ATOM 1053 CE LYS A 64 0.025 -11.158 -0.571 1.00 0.00 C ATOM 1054 NZ LYS A 64 0.200 -11.178 -2.041 1.00 0.00 N ATOM 0 H LYS A 64 4.160 -11.937 0.765 1.00 0.00 H new ATOM 0 HA LYS A 64 4.935 -10.574 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.765 -9.624 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.609 -11.337 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.367 -10.861 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.558 -9.148 0.776 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.181 -9.790 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.489 -9.068 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.447 -12.072 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.040 -11.164 -0.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.405 -12.149 -2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.672 -10.844 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.990 -10.555 -2.305 1.00 0.00 H new ATOM 1068 N TRP A 65 4.996 -8.155 -0.718 1.00 0.00 N ATOM 1069 CA TRP A 65 5.475 -6.869 -0.249 1.00 0.00 C ATOM 1070 C TRP A 65 4.323 -6.008 0.225 1.00 0.00 C ATOM 1071 O TRP A 65 3.168 -6.343 0.023 1.00 0.00 O ATOM 1072 CB TRP A 65 6.207 -6.145 -1.371 1.00 0.00 C ATOM 1073 CG TRP A 65 7.545 -6.711 -1.689 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.300 -7.521 -0.892 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.306 -6.495 -2.881 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.475 -7.827 -1.516 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.508 -7.208 -2.736 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.088 -5.776 -4.055 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.482 -7.219 -3.719 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.059 -5.789 -5.032 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.242 -6.504 -4.855 1.00 0.00 C ATOM 0 H TRP A 65 4.649 -8.133 -1.677 1.00 0.00 H new ATOM 0 HA TRP A 65 6.156 -7.044 0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.590 -6.172 -2.269 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.324 -5.097 -1.096 1.00 0.00 H new ATOM 0 HD1 TRP A 65 8.011 -7.869 0.089 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.210 -8.422 -1.134 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.174 -5.218 -4.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.400 -7.774 -3.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.901 -5.238 -5.947 1.00 0.00 H new ATOM 0 HH2 TRP A 65 10.987 -6.492 -5.637 1.00 0.00 H new ATOM 1092 N LEU A 66 4.635 -4.912 0.857 1.00 0.00 N ATOM 1093 CA LEU A 66 3.633 -3.990 1.308 1.00 0.00 C ATOM 1094 C LEU A 66 3.778 -2.706 0.547 1.00 0.00 C ATOM 1095 O LEU A 66 4.762 -1.975 0.735 1.00 0.00 O ATOM 1096 CB LEU A 66 3.779 -3.701 2.800 1.00 0.00 C ATOM 1097 CG LEU A 66 2.731 -2.765 3.384 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.378 -3.392 3.318 1.00 0.00 C ATOM 1099 CD2 LEU A 66 3.059 -2.395 4.797 1.00 0.00 C ATOM 0 H LEU A 66 5.592 -4.633 1.074 1.00 0.00 H new ATOM 0 HA LEU A 66 2.652 -4.433 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.742 -4.646 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.765 -3.271 2.976 1.00 0.00 H new ATOM 0 HG LEU A 66 2.729 -1.853 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.640 -2.710 3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.125 -3.603 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.380 -4.322 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.291 -1.726 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.099 -3.296 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.026 -1.894 4.827 1.00 0.00 H new ATOM 1111 N GLY A 67 2.838 -2.431 -0.302 1.00 0.00 N ATOM 1112 CA GLY A 67 2.903 -1.244 -1.076 1.00 0.00 C ATOM 1113 C GLY A 67 1.776 -0.322 -0.750 1.00 0.00 C ATOM 1114 O GLY A 67 0.734 -0.760 -0.246 1.00 0.00 O ATOM 0 H GLY A 67 2.020 -3.015 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.852 -0.740 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.874 -1.496 -2.136 1.00 0.00 H new ATOM 1118 N ARG A 68 1.984 0.934 -1.004 1.00 0.00 N ATOM 1119 CA ARG A 68 0.989 1.950 -0.783 1.00 0.00 C ATOM 1120 C ARG A 68 1.000 2.904 -1.946 1.00 0.00 C ATOM 1121 O ARG A 68 1.960 2.968 -2.692 1.00 0.00 O ATOM 1122 CB ARG A 68 1.257 2.709 0.543 1.00 0.00 C ATOM 1123 CG ARG A 68 0.245 3.804 0.902 1.00 0.00 C ATOM 1124 CD ARG A 68 0.674 4.615 2.095 1.00 0.00 C ATOM 1125 NE ARG A 68 1.874 5.393 1.850 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.574 6.013 2.795 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.091 6.097 4.033 1.00 0.00 N ATOM 1128 NH2 ARG A 68 3.707 6.624 2.490 1.00 0.00 N ATOM 0 H ARG A 68 2.863 1.292 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 68 0.009 1.480 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.282 1.983 1.356 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.248 3.160 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.111 4.465 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.723 3.347 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.136 5.286 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.847 3.947 2.939 1.00 0.00 H new ATOM 0 HE ARG A 68 2.203 5.469 0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.185 5.686 4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.628 6.573 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.045 6.620 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.242 7.099 3.217 1.00 0.00 H new ATOM 1142 N THR A 69 -0.085 3.552 -2.128 1.00 0.00 N ATOM 1143 CA THR A 69 -0.221 4.595 -3.100 1.00 0.00 C ATOM 1144 C THR A 69 -0.383 5.880 -2.274 1.00 0.00 C ATOM 1145 O THR A 69 -0.809 5.769 -1.126 1.00 0.00 O ATOM 1146 CB THR A 69 -1.475 4.300 -3.946 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.448 2.908 -4.280 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.466 5.089 -5.238 1.00 0.00 C ATOM 0 H THR A 69 -0.936 3.375 -1.595 1.00 0.00 H new ATOM 0 HA THR A 69 0.623 4.680 -3.784 1.00 0.00 H new ATOM 0 HB THR A 69 -2.363 4.575 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.236 2.686 -4.819 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.364 4.858 -5.811 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.443 6.155 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.585 4.822 -5.821 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.060 7.054 -2.817 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.070 8.332 -2.050 1.00 0.00 C ATOM 1158 C ALA A 70 -1.397 8.583 -1.316 1.00 0.00 C ATOM 1159 O ALA A 70 -1.432 9.177 -0.233 1.00 0.00 O ATOM 1160 CB ALA A 70 0.270 9.500 -2.957 1.00 0.00 C ATOM 0 H ALA A 70 0.216 7.162 -3.793 1.00 0.00 H new ATOM 0 HA ALA A 70 0.697 8.240 -1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.258 10.424 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.262 9.352 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.465 9.564 -3.759 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.469 8.102 -1.905 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.814 8.180 -1.329 1.00 0.00 C ATOM 1168 C ARG A 71 -4.009 7.270 -0.081 1.00 0.00 C ATOM 1169 O ARG A 71 -5.088 7.276 0.542 1.00 0.00 O ATOM 1170 CB ARG A 71 -4.843 7.840 -2.401 1.00 0.00 C ATOM 1171 CG ARG A 71 -4.547 6.553 -3.152 1.00 0.00 C ATOM 1172 CD ARG A 71 -5.651 6.211 -4.124 1.00 0.00 C ATOM 1173 NE ARG A 71 -5.206 5.249 -5.132 1.00 0.00 N ATOM 1174 CZ ARG A 71 -5.426 3.929 -5.116 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -6.146 3.378 -4.150 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -4.946 3.181 -6.097 1.00 0.00 N ATOM 0 H ARG A 71 -2.442 7.636 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.954 9.203 -0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.825 7.760 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.895 8.662 -3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.605 6.654 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.421 5.737 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.501 5.800 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.997 7.120 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.678 5.619 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.538 3.961 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.308 2.371 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.415 3.612 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.107 2.174 -6.096 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.982 6.505 0.263 1.00 0.00 N ATOM 1191 CA GLY A 72 -3.008 5.619 1.410 1.00 0.00 C ATOM 1192 C GLY A 72 -3.889 4.429 1.184 1.00 0.00 C ATOM 1193 O GLY A 72 -5.062 4.418 1.541 1.00 0.00 O ATOM 0 H GLY A 72 -2.102 6.484 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.995 5.283 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.359 6.168 2.284 1.00 0.00 H new ATOM 1197 N SER A 73 -3.317 3.434 0.610 1.00 0.00 N ATOM 1198 CA SER A 73 -3.943 2.247 0.243 1.00 0.00 C ATOM 1199 C SER A 73 -2.825 1.288 0.316 1.00 0.00 C ATOM 1200 O SER A 73 -1.830 1.461 -0.360 1.00 0.00 O ATOM 1201 CB SER A 73 -4.433 2.320 -1.184 1.00 0.00 C ATOM 1202 OG SER A 73 -5.183 3.516 -1.424 1.00 0.00 O ATOM 0 H SER A 73 -2.325 3.444 0.373 1.00 0.00 H new ATOM 0 HA SER A 73 -4.807 2.001 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.582 2.281 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.054 1.451 -1.401 1.00 0.00 H new ATOM 0 HG SER A 73 -6.128 3.290 -1.551 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.946 0.383 1.137 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.926 -0.547 1.421 1.00 0.00 C ATOM 1210 C TYR A 74 -2.367 -1.863 0.969 1.00 0.00 C ATOM 1211 O TYR A 74 -3.057 -2.600 1.687 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.678 -0.624 2.882 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.928 0.500 3.537 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.585 1.638 3.980 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.433 0.395 3.764 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.899 2.641 4.621 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.124 1.391 4.413 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.456 2.508 4.840 1.00 0.00 C ATOM 1219 OH TYR A 74 1.139 3.501 5.489 1.00 0.00 O ATOM 0 H TYR A 74 -3.797 0.234 1.679 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.012 -0.234 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.644 -0.713 3.379 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.132 -1.547 3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.648 1.737 3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.961 -0.484 3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.418 3.529 4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.186 1.293 4.585 1.00 0.00 H new ATOM 0 HH TYR A 74 2.084 3.253 5.564 1.00 0.00 H new ATOM 1229 N GLY A 75 -2.067 -2.141 -0.200 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.375 -3.367 -0.701 1.00 0.00 C ATOM 1231 C GLY A 75 -1.150 -4.119 -0.749 1.00 0.00 C ATOM 1232 O GLY A 75 -0.258 -3.805 -1.532 1.00 0.00 O ATOM 0 H GLY A 75 -1.592 -1.512 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.111 -3.868 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.813 -3.279 -1.695 1.00 0.00 H new ATOM 1236 N TYR A 76 -1.040 -4.957 0.199 1.00 0.00 N ATOM 1237 CA TYR A 76 0.034 -5.920 0.316 1.00 0.00 C ATOM 1238 C TYR A 76 0.143 -6.641 -1.024 1.00 0.00 C ATOM 1239 O TYR A 76 -0.657 -7.491 -1.352 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.264 -6.899 1.482 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.417 -6.415 2.351 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -1.232 -5.544 3.419 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -2.707 -6.782 2.032 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -2.314 -5.063 4.123 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -3.777 -6.318 2.733 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.589 -5.458 3.767 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.686 -4.985 4.456 1.00 0.00 O ATOM 0 H TYR A 76 -1.714 -5.014 0.962 1.00 0.00 H new ATOM 0 HA TYR A 76 0.984 -5.437 0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.503 -7.883 1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.629 -7.015 2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.233 -5.243 3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.873 -7.455 1.204 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.166 -4.382 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.775 -6.633 2.467 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.503 -5.365 4.071 1.00 0.00 H new ATOM 1257 N ILE A 77 1.084 -6.187 -1.797 1.00 0.00 N ATOM 1258 CA ILE A 77 1.300 -6.569 -3.130 1.00 0.00 C ATOM 1259 C ILE A 77 2.037 -7.785 -3.292 1.00 0.00 C ATOM 1260 O ILE A 77 3.043 -8.031 -2.641 1.00 0.00 O ATOM 1261 CB ILE A 77 2.100 -5.529 -3.893 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.125 -4.814 -2.992 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.211 -4.567 -4.593 1.00 0.00 C ATOM 1264 CD1 ILE A 77 3.836 -3.669 -3.663 1.00 0.00 C ATOM 0 H ILE A 77 1.759 -5.493 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 77 0.286 -6.692 -3.511 1.00 0.00 H new ATOM 0 HB ILE A 77 2.671 -6.058 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.615 -4.441 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.865 -5.540 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.816 -3.836 -5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.579 -5.104 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.584 -4.054 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.540 -3.218 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.376 -4.037 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.107 -2.922 -3.977 1.00 0.00 H new ATOM 1276 N LYS A 78 1.605 -8.507 -4.218 1.00 0.00 N ATOM 1277 CA LYS A 78 2.330 -9.568 -4.678 1.00 0.00 C ATOM 1278 C LYS A 78 3.451 -8.922 -5.514 1.00 0.00 C ATOM 1279 O LYS A 78 3.228 -8.168 -6.461 1.00 0.00 O ATOM 1280 CB LYS A 78 1.461 -10.509 -5.494 1.00 0.00 C ATOM 1281 CG LYS A 78 0.867 -9.841 -6.682 1.00 0.00 C ATOM 1282 CD LYS A 78 -0.033 -10.750 -7.483 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.695 -9.989 -8.617 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.712 -10.804 -9.307 1.00 0.00 N ATOM 0 H LYS A 78 0.710 -8.367 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 78 2.734 -10.189 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.058 -11.361 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.663 -10.901 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.297 -8.971 -6.355 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.668 -9.475 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.547 -11.580 -7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.795 -11.179 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.160 -9.085 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.063 -9.672 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.140 -10.248 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.264 -11.655 -9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.450 -11.085 -8.630 1.00 0.00 H new ATOM 1298 N THR A 79 4.564 -9.110 -5.015 1.00 0.00 N ATOM 1299 CA THR A 79 5.876 -8.659 -5.505 1.00 0.00 C ATOM 1300 C THR A 79 6.018 -8.670 -7.041 1.00 0.00 C ATOM 1301 O THR A 79 6.672 -7.811 -7.606 1.00 0.00 O ATOM 1302 CB THR A 79 6.953 -9.586 -4.916 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.678 -10.933 -5.326 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.896 -9.567 -3.417 1.00 0.00 C ATOM 0 H THR A 79 4.658 -9.640 -4.149 1.00 0.00 H new ATOM 0 HA THR A 79 5.989 -7.622 -5.188 1.00 0.00 H new ATOM 0 HB THR A 79 7.929 -9.246 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.360 -11.533 -4.957 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.664 -10.228 -3.015 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.067 -8.552 -3.059 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.915 -9.908 -3.086 1.00 0.00 H new ATOM 1312 N THR A 80 5.400 -9.626 -7.685 1.00 0.00 N ATOM 1313 CA THR A 80 5.426 -9.743 -9.125 1.00 0.00 C ATOM 1314 C THR A 80 4.698 -8.566 -9.827 1.00 0.00 C ATOM 1315 O THR A 80 5.038 -8.203 -10.964 1.00 0.00 O ATOM 1316 CB THR A 80 4.805 -11.093 -9.557 1.00 0.00 C ATOM 1317 OG1 THR A 80 4.760 -11.212 -10.981 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.402 -11.255 -8.976 1.00 0.00 C ATOM 0 H THR A 80 4.858 -10.355 -7.221 1.00 0.00 H new ATOM 0 HA THR A 80 6.470 -9.704 -9.436 1.00 0.00 H new ATOM 0 HB THR A 80 5.442 -11.886 -9.166 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.365 -12.075 -11.225 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.985 -12.211 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.453 -11.224 -7.888 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.765 -10.445 -9.332 1.00 0.00 H new ATOM 1326 N ALA A 81 3.768 -7.925 -9.131 1.00 0.00 N ATOM 1327 CA ALA A 81 2.955 -6.888 -9.726 1.00 0.00 C ATOM 1328 C ALA A 81 3.651 -5.546 -9.689 1.00 0.00 C ATOM 1329 O ALA A 81 3.167 -4.573 -10.262 1.00 0.00 O ATOM 1330 CB ALA A 81 1.608 -6.808 -9.033 1.00 0.00 C ATOM 0 H ALA A 81 3.562 -8.111 -8.149 1.00 0.00 H new ATOM 0 HA ALA A 81 2.797 -7.149 -10.772 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.008 -6.023 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.091 -7.763 -9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.755 -6.581 -7.977 1.00 0.00 H new ATOM 1336 N VAL A 82 4.782 -5.479 -9.016 1.00 0.00 N ATOM 1337 CA VAL A 82 5.543 -4.249 -8.955 1.00 0.00 C ATOM 1338 C VAL A 82 7.017 -4.506 -9.146 1.00 0.00 C ATOM 1339 O VAL A 82 7.481 -5.644 -9.109 1.00 0.00 O ATOM 1340 CB VAL A 82 5.351 -3.445 -7.631 1.00 0.00 C ATOM 1341 CG1 VAL A 82 3.923 -2.938 -7.481 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.744 -4.286 -6.432 1.00 0.00 C ATOM 0 H VAL A 82 5.193 -6.260 -8.505 1.00 0.00 H new ATOM 0 HA VAL A 82 5.149 -3.643 -9.771 1.00 0.00 H new ATOM 0 HB VAL A 82 6.007 -2.576 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.830 -2.384 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.680 -2.283 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.236 -3.784 -7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.603 -3.707 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.121 -5.180 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.791 -4.577 -6.519 1.00 0.00 H new ATOM 1352 N GLU A 83 7.718 -3.457 -9.391 1.00 0.00 N ATOM 1353 CA GLU A 83 9.145 -3.449 -9.502 1.00 0.00 C ATOM 1354 C GLU A 83 9.596 -2.237 -8.753 1.00 0.00 C ATOM 1355 O GLU A 83 9.172 -1.133 -9.084 1.00 0.00 O ATOM 1356 CB GLU A 83 9.552 -3.325 -10.964 1.00 0.00 C ATOM 1357 CG GLU A 83 9.049 -4.461 -11.832 1.00 0.00 C ATOM 1358 CD GLU A 83 9.434 -4.326 -13.269 1.00 0.00 C ATOM 1359 OE1 GLU A 83 8.777 -3.579 -14.014 1.00 0.00 O ATOM 1360 OE2 GLU A 83 10.406 -4.976 -13.688 1.00 0.00 O ATOM 0 H GLU A 83 7.300 -2.536 -9.527 1.00 0.00 H new ATOM 0 HA GLU A 83 9.587 -4.364 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.174 -2.382 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.639 -3.284 -11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.439 -5.403 -11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.963 -4.511 -11.758 1.00 0.00 H new ATOM 1367 N ILE A 84 10.382 -2.407 -7.718 1.00 0.00 N ATOM 1368 CA ILE A 84 10.787 -1.265 -6.935 1.00 0.00 C ATOM 1369 C ILE A 84 11.789 -0.427 -7.694 1.00 0.00 C ATOM 1370 O ILE A 84 12.565 -0.945 -8.513 1.00 0.00 O ATOM 1371 CB ILE A 84 11.279 -1.635 -5.482 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.563 -2.460 -5.464 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.190 -2.357 -4.716 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.827 -1.636 -5.512 1.00 0.00 C ATOM 0 H ILE A 84 10.748 -3.305 -7.403 1.00 0.00 H new ATOM 0 HA ILE A 84 9.895 -0.659 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 84 11.508 -0.688 -4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.576 -3.073 -4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.555 -3.143 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.550 -2.603 -3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.313 -1.714 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.922 -3.274 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.693 -2.297 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.840 -1.043 -6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.861 -0.972 -4.648 1.00 0.00 H new ATOM 1386 N ASP A 85 11.735 0.835 -7.476 1.00 0.00 N ATOM 1387 CA ASP A 85 12.626 1.758 -8.103 1.00 0.00 C ATOM 1388 C ASP A 85 13.835 1.912 -7.235 1.00 0.00 C ATOM 1389 O ASP A 85 13.729 2.047 -6.006 1.00 0.00 O ATOM 1390 CB ASP A 85 11.948 3.109 -8.344 1.00 0.00 C ATOM 1391 CG ASP A 85 12.876 4.127 -8.950 1.00 0.00 C ATOM 1392 OD1 ASP A 85 13.094 4.102 -10.180 1.00 0.00 O ATOM 1393 OD2 ASP A 85 13.396 4.982 -8.217 1.00 0.00 O ATOM 0 H ASP A 85 11.061 1.270 -6.847 1.00 0.00 H new ATOM 0 HA ASP A 85 12.919 1.374 -9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.091 2.968 -9.002 1.00 0.00 H new ATOM 0 HB3 ASP A 85 11.564 3.492 -7.398 1.00 0.00 H new