USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -0.0993 K(o=0.12,f=-9.3!) USER MOD Set 1.2: A 132 LYS NZ :NH3+ -161:sc= 0.221 (180deg=0) USER MOD Set 2.1: A 44 HIS : no HD1:sc= 0.763 K(o=0.85,f=-5.2!) USER MOD Set 2.2: A 103 SER OG : rot 31:sc= 1.96 USER MOD Set 2.3: A 135 GLN : amide:sc= -1.87 K(o=0.85,f=-0.7) USER MOD Set 3.1: A 33 SER OG : rot -122:sc= 0.988 USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0.832 USER MOD Single : A 19 HIS : no HD1:sc= 0.78 K(o=0.78,f=-5.8!) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0102) USER MOD Single : A 27 MET CE :methyl -177:sc= 0 (180deg=-0.0183) USER MOD Single : A 28 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.4!) USER MOD Single : A 32 ASN : amide:sc= -0.708! C(o=-0.71!,f=-5.3!) USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= 0.911 (180deg=-0.183) USER MOD Single : A 39 GLN : amide:sc= -0.0864 K(o=-0.086,f=-0.67) USER MOD Single : A 46 HIS : no HE2:sc= 1.02 K(o=1,f=-3.6!) USER MOD Single : A 47 THR OG1 : rot 72:sc= -0.104 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.6!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 83 GLN : amide:sc= 0.871 K(o=0.87,f=-0.29) USER MOD Single : A 84 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.0032) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 91 LYS NZ :NH3+ 169:sc= -0.0486 (180deg=-0.216) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0275 (180deg=-0.236) USER MOD Single : A 99 CYS SG : rot -120:sc= -0.605 USER MOD Single : A 106 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.06) USER MOD Single : A 107 ASN : amide:sc= -7.29! C(o=-7.3!,f=-4.6!) USER MOD Single : A 108 MET CE :methyl 161:sc= -1.19 (180deg=-2.1) USER MOD Single : A 113 ASN : amide:sc= -0.371 K(o=-0.37,f=-0.99) USER MOD Single : A 115 ASN : amide:sc= -0.134 K(o=-0.13,f=0.73) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 123 THR OG1 : rot -15:sc= -1.96! USER MOD Single : A 130 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 308 N VAL A 18 0.868 9.731 6.417 1.00 0.00 N ATOM 309 CA VAL A 18 -0.327 9.260 5.733 1.00 0.00 C ATOM 310 C VAL A 18 0.064 8.409 4.525 1.00 0.00 C ATOM 311 O VAL A 18 -0.783 7.879 3.817 1.00 0.00 O ATOM 312 CB VAL A 18 -1.229 10.439 5.294 1.00 0.00 C ATOM 313 CG1 VAL A 18 -2.552 9.955 4.715 1.00 0.00 C ATOM 314 CG2 VAL A 18 -1.487 11.365 6.469 1.00 0.00 C ATOM 0 HA VAL A 18 -0.899 8.649 6.431 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.701 10.982 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.155 10.813 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.360 9.329 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.088 9.376 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.122 12.191 6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.985 10.812 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.539 11.758 6.837 1.00 0.00 H new ATOM 324 N HIS A 19 1.362 8.260 4.296 1.00 0.00 N ATOM 325 CA HIS A 19 1.845 7.488 3.155 1.00 0.00 C ATOM 326 C HIS A 19 1.577 6.003 3.382 1.00 0.00 C ATOM 327 O HIS A 19 1.260 5.260 2.452 1.00 0.00 O ATOM 328 CB HIS A 19 3.340 7.743 2.932 1.00 0.00 C ATOM 329 CG HIS A 19 3.892 7.100 1.693 1.00 0.00 C ATOM 330 ND1 HIS A 19 3.629 7.566 0.422 1.00 0.00 N ATOM 331 CD2 HIS A 19 4.708 6.031 1.537 1.00 0.00 C ATOM 332 CE1 HIS A 19 4.259 6.810 -0.460 1.00 0.00 C ATOM 333 NE2 HIS A 19 4.921 5.873 0.191 1.00 0.00 N ATOM 0 H HIS A 19 2.096 8.660 4.880 1.00 0.00 H new ATOM 0 HA HIS A 19 1.310 7.805 2.260 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.510 8.818 2.877 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.893 7.376 3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.116 5.416 2.326 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.236 6.938 -1.532 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.498 5.149 -0.237 1.00 0.00 H new ATOM 342 N GLU A 20 1.710 5.591 4.630 1.00 0.00 N ATOM 343 CA GLU A 20 1.394 4.234 5.043 1.00 0.00 C ATOM 344 C GLU A 20 -0.112 4.079 5.265 1.00 0.00 C ATOM 345 O GLU A 20 -0.661 2.990 5.111 1.00 0.00 O ATOM 346 CB GLU A 20 2.173 3.857 6.315 1.00 0.00 C ATOM 347 CG GLU A 20 2.125 4.905 7.426 1.00 0.00 C ATOM 348 CD GLU A 20 3.193 5.982 7.287 1.00 0.00 C ATOM 349 OE1 GLU A 20 3.087 6.825 6.372 1.00 0.00 O ATOM 350 OE2 GLU A 20 4.132 6.000 8.108 1.00 0.00 O ATOM 0 H GLU A 20 2.041 6.189 5.388 1.00 0.00 H new ATOM 0 HA GLU A 20 1.696 3.554 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.777 2.918 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.214 3.678 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.142 5.376 7.429 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.243 4.409 8.389 1.00 0.00 H new ATOM 357 N LEU A 21 -0.780 5.176 5.609 1.00 0.00 N ATOM 358 CA LEU A 21 -2.230 5.160 5.792 1.00 0.00 C ATOM 359 C LEU A 21 -2.931 5.107 4.439 1.00 0.00 C ATOM 360 O LEU A 21 -3.962 4.452 4.281 1.00 0.00 O ATOM 361 CB LEU A 21 -2.693 6.392 6.576 1.00 0.00 C ATOM 362 CG LEU A 21 -2.035 6.585 7.944 1.00 0.00 C ATOM 363 CD1 LEU A 21 -2.572 7.836 8.622 1.00 0.00 C ATOM 364 CD2 LEU A 21 -2.259 5.364 8.826 1.00 0.00 C ATOM 0 H LEU A 21 -0.344 6.084 5.766 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.493 4.270 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.502 7.279 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.772 6.328 6.717 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.962 6.707 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.093 7.957 9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.359 8.706 8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.649 7.742 8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.783 5.522 9.794 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.329 5.209 8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.826 4.485 8.348 1.00 0.00 H new ATOM 376 N ALA A 22 -2.356 5.803 3.462 1.00 0.00 N ATOM 377 CA ALA A 22 -2.859 5.788 2.091 1.00 0.00 C ATOM 378 C ALA A 22 -2.812 4.382 1.500 1.00 0.00 C ATOM 379 O ALA A 22 -3.505 4.090 0.527 1.00 0.00 O ATOM 380 CB ALA A 22 -2.068 6.752 1.218 1.00 0.00 C ATOM 0 H ALA A 22 -1.533 6.390 3.597 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.900 6.111 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.459 6.726 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.160 7.763 1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.018 6.459 1.211 1.00 0.00 H new ATOM 386 N ARG A 23 -1.992 3.517 2.092 1.00 0.00 N ATOM 387 CA ARG A 23 -1.929 2.119 1.685 1.00 0.00 C ATOM 388 C ARG A 23 -3.305 1.484 1.856 1.00 0.00 C ATOM 389 O ARG A 23 -3.784 0.755 0.989 1.00 0.00 O ATOM 390 CB ARG A 23 -0.907 1.362 2.536 1.00 0.00 C ATOM 391 CG ARG A 23 -0.014 0.416 1.752 1.00 0.00 C ATOM 392 CD ARG A 23 0.908 1.183 0.820 1.00 0.00 C ATOM 393 NE ARG A 23 1.987 0.350 0.289 1.00 0.00 N ATOM 394 CZ ARG A 23 3.250 0.766 0.185 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.583 1.982 0.592 1.00 0.00 N ATOM 396 NH2 ARG A 23 4.184 -0.029 -0.319 1.00 0.00 N ATOM 0 H ARG A 23 -1.362 3.762 2.856 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.623 2.066 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.280 2.085 3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.438 0.792 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.579 -0.185 2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.628 -0.274 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.327 1.590 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.337 2.030 1.355 1.00 0.00 H new ATOM 0 HE ARG A 23 1.762 -0.597 -0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.873 2.600 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.549 2.300 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.940 -0.969 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.147 0.299 -0.394 1.00 0.00 H new ATOM 410 N VAL A 24 -3.934 1.803 2.981 1.00 0.00 N ATOM 411 CA VAL A 24 -5.268 1.313 3.293 1.00 0.00 C ATOM 412 C VAL A 24 -6.301 1.977 2.387 1.00 0.00 C ATOM 413 O VAL A 24 -7.199 1.317 1.866 1.00 0.00 O ATOM 414 CB VAL A 24 -5.629 1.587 4.769 1.00 0.00 C ATOM 415 CG1 VAL A 24 -7.030 1.087 5.094 1.00 0.00 C ATOM 416 CG2 VAL A 24 -4.607 0.949 5.697 1.00 0.00 C ATOM 0 H VAL A 24 -3.534 2.407 3.699 1.00 0.00 H new ATOM 0 HA VAL A 24 -5.275 0.236 3.125 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.612 2.666 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.257 1.294 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.755 1.596 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.083 0.013 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.879 1.153 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.589 -0.128 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.620 1.364 5.492 1.00 0.00 H new ATOM 426 N LYS A 25 -6.151 3.284 2.189 1.00 0.00 N ATOM 427 CA LYS A 25 -7.078 4.042 1.353 1.00 0.00 C ATOM 428 C LYS A 25 -7.072 3.518 -0.078 1.00 0.00 C ATOM 429 O LYS A 25 -8.124 3.408 -0.705 1.00 0.00 O ATOM 430 CB LYS A 25 -6.730 5.532 1.366 1.00 0.00 C ATOM 431 CG LYS A 25 -7.734 6.393 0.611 1.00 0.00 C ATOM 432 CD LYS A 25 -7.394 7.868 0.716 1.00 0.00 C ATOM 433 CE LYS A 25 -8.458 8.741 0.066 1.00 0.00 C ATOM 434 NZ LYS A 25 -8.541 8.542 -1.406 1.00 0.00 N ATOM 0 H LYS A 25 -5.398 3.839 2.595 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.078 3.914 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.672 5.875 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.741 5.671 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.752 6.097 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.734 6.220 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.290 8.143 1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.431 8.054 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.427 8.520 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.241 9.788 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.232 9.207 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.608 8.712 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.841 7.567 -1.608 1.00 0.00 H new ATOM 448 N PHE A 26 -5.887 3.196 -0.593 1.00 0.00 N ATOM 449 CA PHE A 26 -5.774 2.616 -1.925 1.00 0.00 C ATOM 450 C PHE A 26 -6.550 1.309 -1.991 1.00 0.00 C ATOM 451 O PHE A 26 -7.324 1.084 -2.918 1.00 0.00 O ATOM 452 CB PHE A 26 -4.307 2.375 -2.304 1.00 0.00 C ATOM 453 CG PHE A 26 -4.142 1.612 -3.592 1.00 0.00 C ATOM 454 CD1 PHE A 26 -4.380 2.226 -4.813 1.00 0.00 C ATOM 455 CD2 PHE A 26 -3.774 0.275 -3.579 1.00 0.00 C ATOM 456 CE1 PHE A 26 -4.248 1.520 -5.994 1.00 0.00 C ATOM 457 CE2 PHE A 26 -3.648 -0.436 -4.757 1.00 0.00 C ATOM 458 CZ PHE A 26 -3.884 0.187 -5.967 1.00 0.00 C ATOM 0 H PHE A 26 -4.998 3.327 -0.110 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.196 3.323 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.799 3.335 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.817 1.827 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.671 3.266 -4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.584 -0.217 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.430 2.011 -6.939 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.365 -1.478 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.784 -0.366 -6.889 1.00 0.00 H new ATOM 468 N MET A 27 -6.347 0.457 -0.995 1.00 0.00 N ATOM 469 CA MET A 27 -7.050 -0.817 -0.926 1.00 0.00 C ATOM 470 C MET A 27 -8.556 -0.593 -0.876 1.00 0.00 C ATOM 471 O MET A 27 -9.297 -1.203 -1.642 1.00 0.00 O ATOM 472 CB MET A 27 -6.577 -1.615 0.288 1.00 0.00 C ATOM 473 CG MET A 27 -5.118 -2.026 0.195 1.00 0.00 C ATOM 474 SD MET A 27 -4.524 -2.834 1.691 1.00 0.00 S ATOM 475 CE MET A 27 -2.822 -3.166 1.247 1.00 0.00 C ATOM 0 H MET A 27 -5.701 0.625 -0.224 1.00 0.00 H new ATOM 0 HA MET A 27 -6.824 -1.392 -1.824 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.724 -1.018 1.188 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.194 -2.507 0.393 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.988 -2.699 -0.652 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.509 -1.144 -0.003 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.335 -3.713 2.054 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.794 -3.763 0.335 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.299 -2.224 1.080 1.00 0.00 H new ATOM 485 N GLN A 28 -8.994 0.309 -0.002 1.00 0.00 N ATOM 486 CA GLN A 28 -10.412 0.647 0.123 1.00 0.00 C ATOM 487 C GLN A 28 -10.970 1.091 -1.221 1.00 0.00 C ATOM 488 O GLN A 28 -12.039 0.644 -1.644 1.00 0.00 O ATOM 489 CB GLN A 28 -10.601 1.779 1.130 1.00 0.00 C ATOM 490 CG GLN A 28 -12.036 1.956 1.596 1.00 0.00 C ATOM 491 CD GLN A 28 -12.225 3.212 2.423 1.00 0.00 C ATOM 492 OE1 GLN A 28 -11.300 3.686 3.076 1.00 0.00 O ATOM 493 NE2 GLN A 28 -13.432 3.750 2.414 1.00 0.00 N ATOM 0 H GLN A 28 -8.385 0.823 0.634 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.942 -0.242 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.969 1.590 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.257 2.711 0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.695 1.993 0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.333 1.088 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.175 3.326 1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.621 4.589 2.963 1.00 0.00 H new ATOM 502 N ASP A 29 -10.232 1.975 -1.879 1.00 0.00 N ATOM 503 CA ASP A 29 -10.627 2.510 -3.174 1.00 0.00 C ATOM 504 C ASP A 29 -10.763 1.386 -4.192 1.00 0.00 C ATOM 505 O ASP A 29 -11.757 1.300 -4.903 1.00 0.00 O ATOM 506 CB ASP A 29 -9.595 3.532 -3.654 1.00 0.00 C ATOM 507 CG ASP A 29 -10.082 4.368 -4.820 1.00 0.00 C ATOM 508 OD1 ASP A 29 -9.877 3.964 -5.982 1.00 0.00 O ATOM 509 OD2 ASP A 29 -10.641 5.457 -4.572 1.00 0.00 O ATOM 0 H ASP A 29 -9.345 2.340 -1.531 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.593 3.004 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.334 4.191 -2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.684 3.010 -3.945 1.00 0.00 H new ATOM 514 N VAL A 30 -9.768 0.506 -4.222 1.00 0.00 N ATOM 515 CA VAL A 30 -9.755 -0.623 -5.147 1.00 0.00 C ATOM 516 C VAL A 30 -10.924 -1.576 -4.891 1.00 0.00 C ATOM 517 O VAL A 30 -11.571 -2.031 -5.836 1.00 0.00 O ATOM 518 CB VAL A 30 -8.423 -1.401 -5.064 1.00 0.00 C ATOM 519 CG1 VAL A 30 -8.479 -2.672 -5.892 1.00 0.00 C ATOM 520 CG2 VAL A 30 -7.273 -0.524 -5.526 1.00 0.00 C ATOM 0 H VAL A 30 -8.953 0.554 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.860 -0.209 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.260 -1.682 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.528 -3.199 -5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.280 -3.312 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.670 -2.419 -6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.340 -1.084 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.442 -0.216 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.210 0.359 -4.890 1.00 0.00 H new ATOM 530 N VAL A 31 -11.196 -1.866 -3.621 1.00 0.00 N ATOM 531 CA VAL A 31 -12.309 -2.744 -3.256 1.00 0.00 C ATOM 532 C VAL A 31 -13.634 -2.144 -3.716 1.00 0.00 C ATOM 533 O VAL A 31 -14.545 -2.854 -4.144 1.00 0.00 O ATOM 534 CB VAL A 31 -12.372 -2.988 -1.729 1.00 0.00 C ATOM 535 CG1 VAL A 31 -13.516 -3.929 -1.373 1.00 0.00 C ATOM 536 CG2 VAL A 31 -11.055 -3.542 -1.216 1.00 0.00 C ATOM 0 H VAL A 31 -10.664 -1.508 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.139 -3.699 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.555 -2.028 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.538 -4.084 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.461 -3.492 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.369 -4.886 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.123 -3.705 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.839 -4.487 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.255 -2.831 -1.425 1.00 0.00 H new ATOM 546 N ASN A 32 -13.726 -0.825 -3.639 1.00 0.00 N ATOM 547 CA ASN A 32 -14.941 -0.121 -4.014 1.00 0.00 C ATOM 548 C ASN A 32 -14.871 0.350 -5.459 1.00 0.00 C ATOM 549 O ASN A 32 -15.776 1.024 -5.951 1.00 0.00 O ATOM 550 CB ASN A 32 -15.187 1.062 -3.076 1.00 0.00 C ATOM 551 CG ASN A 32 -15.600 0.617 -1.688 1.00 0.00 C ATOM 552 OD1 ASN A 32 -16.780 0.382 -1.424 1.00 0.00 O ATOM 553 ND2 ASN A 32 -14.635 0.497 -0.792 1.00 0.00 N ATOM 0 H ASN A 32 -12.970 -0.219 -3.319 1.00 0.00 H new ATOM 0 HA ASN A 32 -15.777 -0.815 -3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.281 1.664 -3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.963 1.701 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.856 0.200 0.159 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.670 0.701 -1.051 1.00 0.00 H new ATOM 560 N SER A 33 -13.795 -0.009 -6.131 1.00 0.00 N ATOM 561 CA SER A 33 -13.658 0.249 -7.547 1.00 0.00 C ATOM 562 C SER A 33 -13.982 -1.021 -8.306 1.00 0.00 C ATOM 563 O SER A 33 -13.758 -2.119 -7.807 1.00 0.00 O ATOM 564 CB SER A 33 -12.236 0.716 -7.880 1.00 0.00 C ATOM 565 OG SER A 33 -12.060 0.871 -9.281 1.00 0.00 O ATOM 0 H SER A 33 -12.996 -0.485 -5.712 1.00 0.00 H new ATOM 0 HA SER A 33 -14.347 1.042 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.035 1.663 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.515 -0.006 -7.498 1.00 0.00 H new ATOM 0 HG SER A 33 -11.320 0.304 -9.582 1.00 0.00 H new ATOM 571 N ASP A 34 -14.492 -0.877 -9.516 1.00 0.00 N ATOM 572 CA ASP A 34 -14.843 -2.027 -10.334 1.00 0.00 C ATOM 573 C ASP A 34 -13.586 -2.745 -10.807 1.00 0.00 C ATOM 574 O ASP A 34 -13.653 -3.795 -11.443 1.00 0.00 O ATOM 575 CB ASP A 34 -15.711 -1.596 -11.514 1.00 0.00 C ATOM 576 CG ASP A 34 -16.990 -0.930 -11.050 1.00 0.00 C ATOM 577 OD1 ASP A 34 -17.932 -1.649 -10.652 1.00 0.00 O ATOM 578 OD2 ASP A 34 -17.048 0.318 -11.062 1.00 0.00 O ATOM 0 H ASP A 34 -14.673 0.025 -9.955 1.00 0.00 H new ATOM 0 HA ASP A 34 -15.421 -2.725 -9.729 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.150 -0.908 -12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.954 -2.465 -12.125 1.00 0.00 H new ATOM 583 N THR A 35 -12.439 -2.161 -10.482 1.00 0.00 N ATOM 584 CA THR A 35 -11.148 -2.783 -10.716 1.00 0.00 C ATOM 585 C THR A 35 -11.067 -4.135 -9.998 1.00 0.00 C ATOM 586 O THR A 35 -10.628 -5.131 -10.573 1.00 0.00 O ATOM 587 CB THR A 35 -10.020 -1.848 -10.229 1.00 0.00 C ATOM 588 OG1 THR A 35 -10.207 -0.545 -10.803 1.00 0.00 O ATOM 589 CG2 THR A 35 -8.643 -2.378 -10.613 1.00 0.00 C ATOM 0 H THR A 35 -12.381 -1.240 -10.048 1.00 0.00 H new ATOM 0 HA THR A 35 -11.028 -2.955 -11.786 1.00 0.00 H new ATOM 0 HB THR A 35 -10.068 -1.796 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.494 0.053 -10.496 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.876 -1.693 -10.253 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.493 -3.360 -10.164 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.575 -2.461 -11.698 1.00 0.00 H new ATOM 597 N PHE A 36 -11.518 -4.166 -8.746 1.00 0.00 N ATOM 598 CA PHE A 36 -11.554 -5.402 -7.965 1.00 0.00 C ATOM 599 C PHE A 36 -12.858 -5.483 -7.178 1.00 0.00 C ATOM 600 O PHE A 36 -12.926 -6.079 -6.106 1.00 0.00 O ATOM 601 CB PHE A 36 -10.351 -5.490 -7.025 1.00 0.00 C ATOM 602 CG PHE A 36 -9.080 -5.918 -7.711 1.00 0.00 C ATOM 603 CD1 PHE A 36 -8.253 -4.989 -8.321 1.00 0.00 C ATOM 604 CD2 PHE A 36 -8.718 -7.254 -7.748 1.00 0.00 C ATOM 605 CE1 PHE A 36 -7.089 -5.384 -8.953 1.00 0.00 C ATOM 606 CE2 PHE A 36 -7.556 -7.654 -8.378 1.00 0.00 C ATOM 607 CZ PHE A 36 -6.741 -6.718 -8.982 1.00 0.00 C ATOM 0 H PHE A 36 -11.865 -3.346 -8.248 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.504 -6.247 -8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.193 -4.517 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.577 -6.194 -6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.521 -3.943 -8.302 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.352 -7.992 -7.279 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.453 -4.649 -9.423 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.285 -8.699 -8.398 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.833 -7.030 -9.476 1.00 0.00 H new ATOM 617 N LYS A 37 -13.891 -4.894 -7.763 1.00 0.00 N ATOM 618 CA LYS A 37 -15.231 -4.829 -7.180 1.00 0.00 C ATOM 619 C LYS A 37 -15.747 -6.211 -6.772 1.00 0.00 C ATOM 620 O LYS A 37 -16.446 -6.356 -5.765 1.00 0.00 O ATOM 621 CB LYS A 37 -16.170 -4.206 -8.216 1.00 0.00 C ATOM 622 CG LYS A 37 -17.568 -3.889 -7.727 1.00 0.00 C ATOM 623 CD LYS A 37 -17.577 -2.678 -6.813 1.00 0.00 C ATOM 624 CE LYS A 37 -18.914 -1.965 -6.872 1.00 0.00 C ATOM 625 NZ LYS A 37 -19.118 -1.278 -8.180 1.00 0.00 N ATOM 0 H LYS A 37 -13.824 -4.438 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.192 -4.224 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.716 -3.286 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.247 -4.885 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.220 -3.706 -8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.972 -4.750 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.371 -2.989 -5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.781 -1.992 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.717 -2.684 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.972 -1.235 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.040 -0.249 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.394 -1.596 -8.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.062 -1.509 -8.550 1.00 0.00 H new ATOM 639 N GLY A 38 -15.388 -7.221 -7.554 1.00 0.00 N ATOM 640 CA GLY A 38 -15.880 -8.562 -7.311 1.00 0.00 C ATOM 641 C GLY A 38 -14.925 -9.404 -6.490 1.00 0.00 C ATOM 642 O GLY A 38 -15.057 -10.626 -6.439 1.00 0.00 O ATOM 0 H GLY A 38 -14.762 -7.134 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.839 -8.503 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.061 -9.055 -8.266 1.00 0.00 H new ATOM 646 N GLN A 39 -13.962 -8.761 -5.851 1.00 0.00 N ATOM 647 CA GLN A 39 -13.010 -9.467 -5.006 1.00 0.00 C ATOM 648 C GLN A 39 -13.155 -9.013 -3.557 1.00 0.00 C ATOM 649 O GLN A 39 -12.591 -7.997 -3.159 1.00 0.00 O ATOM 650 CB GLN A 39 -11.576 -9.238 -5.495 1.00 0.00 C ATOM 651 CG GLN A 39 -11.317 -9.773 -6.896 1.00 0.00 C ATOM 652 CD GLN A 39 -11.476 -11.278 -6.988 1.00 0.00 C ATOM 653 OE1 GLN A 39 -11.224 -12.003 -6.026 1.00 0.00 O ATOM 654 NE2 GLN A 39 -11.908 -11.758 -8.143 1.00 0.00 N ATOM 0 H GLN A 39 -13.818 -7.752 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.224 -10.534 -5.064 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.362 -8.169 -5.478 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.884 -9.713 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.004 -9.296 -7.595 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.308 -9.499 -7.204 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.106 -11.124 -8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.043 -12.762 -8.259 1.00 0.00 H new ATOM 663 N PRO A 40 -13.949 -9.748 -2.759 1.00 0.00 N ATOM 664 CA PRO A 40 -14.174 -9.428 -1.344 1.00 0.00 C ATOM 665 C PRO A 40 -12.890 -9.503 -0.523 1.00 0.00 C ATOM 666 O PRO A 40 -12.583 -8.603 0.256 1.00 0.00 O ATOM 667 CB PRO A 40 -15.171 -10.501 -0.879 1.00 0.00 C ATOM 668 CG PRO A 40 -15.774 -11.039 -2.132 1.00 0.00 C ATOM 669 CD PRO A 40 -14.702 -10.939 -3.178 1.00 0.00 C ATOM 0 HA PRO A 40 -14.539 -8.409 -1.214 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.670 -11.287 -0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.933 -10.075 -0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.095 -12.072 -1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.655 -10.466 -2.419 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.073 -11.829 -3.199 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.121 -10.822 -4.177 1.00 0.00 H new ATOM 677 N ILE A 41 -12.149 -10.589 -0.692 1.00 0.00 N ATOM 678 CA ILE A 41 -10.888 -10.767 0.010 1.00 0.00 C ATOM 679 C ILE A 41 -9.747 -10.810 -0.999 1.00 0.00 C ATOM 680 O ILE A 41 -9.929 -11.264 -2.131 1.00 0.00 O ATOM 681 CB ILE A 41 -10.873 -12.066 0.854 1.00 0.00 C ATOM 682 CG1 ILE A 41 -12.133 -12.167 1.720 1.00 0.00 C ATOM 683 CG2 ILE A 41 -9.631 -12.112 1.735 1.00 0.00 C ATOM 684 CD1 ILE A 41 -12.317 -11.002 2.666 1.00 0.00 C ATOM 0 H ILE A 41 -12.401 -11.360 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.765 -9.924 0.690 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.854 -12.914 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.005 -12.236 1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.092 -13.090 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.635 -13.031 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.739 -12.085 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.629 -11.253 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.229 -11.144 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.464 -10.944 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.391 -10.077 2.094 1.00 0.00 H new ATOM 696 N PHE A 42 -8.576 -10.343 -0.597 1.00 0.00 N ATOM 697 CA PHE A 42 -7.448 -10.274 -1.504 1.00 0.00 C ATOM 698 C PHE A 42 -6.359 -11.255 -1.108 1.00 0.00 C ATOM 699 O PHE A 42 -5.923 -11.298 0.042 1.00 0.00 O ATOM 700 CB PHE A 42 -6.893 -8.850 -1.566 1.00 0.00 C ATOM 701 CG PHE A 42 -7.809 -7.894 -2.274 1.00 0.00 C ATOM 702 CD1 PHE A 42 -8.966 -7.443 -1.664 1.00 0.00 C ATOM 703 CD2 PHE A 42 -7.516 -7.456 -3.553 1.00 0.00 C ATOM 704 CE1 PHE A 42 -9.814 -6.575 -2.315 1.00 0.00 C ATOM 705 CE2 PHE A 42 -8.360 -6.583 -4.210 1.00 0.00 C ATOM 706 CZ PHE A 42 -9.512 -6.143 -3.591 1.00 0.00 C ATOM 0 H PHE A 42 -8.385 -10.008 0.347 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.802 -10.552 -2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.715 -8.491 -0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.928 -8.864 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.207 -7.776 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.617 -7.801 -4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.715 -6.232 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.119 -6.245 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.176 -5.462 -4.103 1.00 0.00 H new ATOM 716 N ASP A 43 -5.946 -12.055 -2.078 1.00 0.00 N ATOM 717 CA ASP A 43 -4.880 -13.028 -1.896 1.00 0.00 C ATOM 718 C ASP A 43 -3.585 -12.324 -1.527 1.00 0.00 C ATOM 719 O ASP A 43 -3.392 -11.155 -1.869 1.00 0.00 O ATOM 720 CB ASP A 43 -4.655 -13.807 -3.198 1.00 0.00 C ATOM 721 CG ASP A 43 -5.941 -14.291 -3.834 1.00 0.00 C ATOM 722 OD1 ASP A 43 -6.701 -13.443 -4.362 1.00 0.00 O ATOM 723 OD2 ASP A 43 -6.190 -15.515 -3.830 1.00 0.00 O ATOM 0 H ASP A 43 -6.342 -12.048 -3.018 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.171 -13.710 -1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.124 -13.172 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.013 -14.664 -2.995 1.00 0.00 H new ATOM 728 N HIS A 44 -2.690 -13.035 -0.858 1.00 0.00 N ATOM 729 CA HIS A 44 -1.360 -12.508 -0.574 1.00 0.00 C ATOM 730 C HIS A 44 -0.619 -12.251 -1.880 1.00 0.00 C ATOM 731 O HIS A 44 0.273 -11.414 -1.939 1.00 0.00 O ATOM 732 CB HIS A 44 -0.556 -13.465 0.315 1.00 0.00 C ATOM 733 CG HIS A 44 -0.933 -13.410 1.766 1.00 0.00 C ATOM 734 ND1 HIS A 44 -0.050 -13.703 2.787 1.00 0.00 N ATOM 735 CD2 HIS A 44 -2.106 -13.098 2.369 1.00 0.00 C ATOM 736 CE1 HIS A 44 -0.663 -13.571 3.950 1.00 0.00 C ATOM 737 NE2 HIS A 44 -1.909 -13.202 3.723 1.00 0.00 N ATOM 0 H HIS A 44 -2.858 -13.976 -0.502 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.473 -11.570 -0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.694 -14.484 -0.047 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.504 -13.232 0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.025 -12.819 1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.220 -13.737 4.921 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -2.613 -13.023 4.439 1.00 0.00 H new ATOM 746 N ALA A 45 -1.012 -12.971 -2.928 1.00 0.00 N ATOM 747 CA ALA A 45 -0.489 -12.736 -4.268 1.00 0.00 C ATOM 748 C ALA A 45 -0.971 -11.389 -4.799 1.00 0.00 C ATOM 749 O ALA A 45 -0.243 -10.686 -5.501 1.00 0.00 O ATOM 750 CB ALA A 45 -0.908 -13.859 -5.204 1.00 0.00 C ATOM 0 H ALA A 45 -1.695 -13.726 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 45 0.600 -12.717 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.510 -13.669 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.519 -14.807 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.996 -13.907 -5.251 1.00 0.00 H new ATOM 756 N HIS A 46 -2.195 -11.022 -4.448 1.00 0.00 N ATOM 757 CA HIS A 46 -2.730 -9.725 -4.834 1.00 0.00 C ATOM 758 C HIS A 46 -2.096 -8.631 -3.982 1.00 0.00 C ATOM 759 O HIS A 46 -1.785 -7.551 -4.479 1.00 0.00 O ATOM 760 CB HIS A 46 -4.258 -9.700 -4.718 1.00 0.00 C ATOM 761 CG HIS A 46 -4.954 -10.238 -5.934 1.00 0.00 C ATOM 762 ND1 HIS A 46 -5.736 -11.378 -5.932 1.00 0.00 N ATOM 763 CD2 HIS A 46 -4.984 -9.769 -7.204 1.00 0.00 C ATOM 764 CE1 HIS A 46 -6.217 -11.579 -7.146 1.00 0.00 C ATOM 765 NE2 HIS A 46 -5.774 -10.618 -7.932 1.00 0.00 N ATOM 0 H HIS A 46 -2.833 -11.600 -3.900 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.482 -9.542 -5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.559 -10.283 -3.848 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.586 -8.675 -4.544 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.914 -11.971 -5.121 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.479 -8.889 -7.574 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.863 -12.392 -7.444 1.00 0.00 H new ATOM 774 N THR A 47 -1.895 -8.930 -2.702 1.00 0.00 N ATOM 775 CA THR A 47 -1.136 -8.058 -1.813 1.00 0.00 C ATOM 776 C THR A 47 0.261 -7.817 -2.383 1.00 0.00 C ATOM 777 O THR A 47 0.707 -6.678 -2.516 1.00 0.00 O ATOM 778 CB THR A 47 -1.006 -8.696 -0.418 1.00 0.00 C ATOM 779 OG1 THR A 47 -2.306 -8.950 0.130 1.00 0.00 O ATOM 780 CG2 THR A 47 -0.212 -7.805 0.522 1.00 0.00 C ATOM 0 H THR A 47 -2.250 -9.776 -2.255 1.00 0.00 H new ATOM 0 HA THR A 47 -1.667 -7.110 -1.728 1.00 0.00 H new ATOM 0 HB THR A 47 -0.470 -9.639 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.723 -9.696 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.137 -8.282 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.788 -7.648 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.716 -6.844 0.625 1.00 0.00 H new ATOM 788 N ARG A 48 0.919 -8.919 -2.719 1.00 0.00 N ATOM 789 CA ARG A 48 2.221 -8.930 -3.378 1.00 0.00 C ATOM 790 C ARG A 48 2.301 -7.891 -4.492 1.00 0.00 C ATOM 791 O ARG A 48 3.210 -7.053 -4.520 1.00 0.00 O ATOM 792 CB ARG A 48 2.427 -10.346 -3.931 1.00 0.00 C ATOM 793 CG ARG A 48 3.393 -10.484 -5.094 1.00 0.00 C ATOM 794 CD ARG A 48 3.295 -11.885 -5.678 1.00 0.00 C ATOM 795 NE ARG A 48 4.347 -12.182 -6.645 1.00 0.00 N ATOM 796 CZ ARG A 48 4.126 -12.741 -7.834 1.00 0.00 C ATOM 797 NH1 ARG A 48 2.887 -12.919 -8.279 1.00 0.00 N ATOM 798 NH2 ARG A 48 5.149 -13.098 -8.592 1.00 0.00 N ATOM 0 H ARG A 48 0.554 -9.854 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 48 3.005 -8.669 -2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.778 -10.982 -3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.458 -10.735 -4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.163 -9.743 -5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.412 -10.290 -4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.340 -12.613 -4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.324 -12.003 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 48 5.308 -11.948 -6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.093 -12.627 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.729 -13.348 -9.191 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.103 -12.945 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.984 -13.526 -9.503 1.00 0.00 H new ATOM 812 N GLU A 49 1.326 -7.934 -5.379 1.00 0.00 N ATOM 813 CA GLU A 49 1.310 -7.069 -6.540 1.00 0.00 C ATOM 814 C GLU A 49 0.975 -5.629 -6.151 1.00 0.00 C ATOM 815 O GLU A 49 1.619 -4.691 -6.619 1.00 0.00 O ATOM 816 CB GLU A 49 0.310 -7.619 -7.553 1.00 0.00 C ATOM 817 CG GLU A 49 0.367 -6.944 -8.909 1.00 0.00 C ATOM 818 CD GLU A 49 -0.183 -7.830 -9.999 1.00 0.00 C ATOM 819 OE1 GLU A 49 -1.419 -7.882 -10.165 1.00 0.00 O ATOM 820 OE2 GLU A 49 0.621 -8.503 -10.681 1.00 0.00 O ATOM 0 H GLU A 49 0.528 -8.566 -5.315 1.00 0.00 H new ATOM 0 HA GLU A 49 2.302 -7.051 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.490 -8.686 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.696 -7.513 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.200 -6.014 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.399 -6.680 -9.141 1.00 0.00 H new ATOM 827 N PHE A 50 -0.012 -5.461 -5.275 1.00 0.00 N ATOM 828 CA PHE A 50 -0.431 -4.130 -4.842 1.00 0.00 C ATOM 829 C PHE A 50 0.692 -3.380 -4.135 1.00 0.00 C ATOM 830 O PHE A 50 0.912 -2.197 -4.399 1.00 0.00 O ATOM 831 CB PHE A 50 -1.656 -4.205 -3.930 1.00 0.00 C ATOM 832 CG PHE A 50 -2.947 -4.366 -4.678 1.00 0.00 C ATOM 833 CD1 PHE A 50 -3.171 -3.656 -5.846 1.00 0.00 C ATOM 834 CD2 PHE A 50 -3.939 -5.211 -4.211 1.00 0.00 C ATOM 835 CE1 PHE A 50 -4.359 -3.786 -6.536 1.00 0.00 C ATOM 836 CE2 PHE A 50 -5.129 -5.346 -4.897 1.00 0.00 C ATOM 837 CZ PHE A 50 -5.338 -4.631 -6.061 1.00 0.00 C ATOM 0 H PHE A 50 -0.536 -6.227 -4.852 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.694 -3.577 -5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.537 -5.042 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.706 -3.299 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.406 -2.992 -6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.780 -5.770 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.521 -3.227 -7.446 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.896 -6.009 -4.525 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.269 -4.735 -6.598 1.00 0.00 H new ATOM 847 N ILE A 51 1.400 -4.061 -3.242 1.00 0.00 N ATOM 848 CA ILE A 51 2.494 -3.432 -2.513 1.00 0.00 C ATOM 849 C ILE A 51 3.572 -2.959 -3.478 1.00 0.00 C ATOM 850 O ILE A 51 4.006 -1.806 -3.419 1.00 0.00 O ATOM 851 CB ILE A 51 3.131 -4.378 -1.472 1.00 0.00 C ATOM 852 CG1 ILE A 51 2.091 -4.820 -0.442 1.00 0.00 C ATOM 853 CG2 ILE A 51 4.299 -3.692 -0.775 1.00 0.00 C ATOM 854 CD1 ILE A 51 2.637 -5.782 0.591 1.00 0.00 C ATOM 0 H ILE A 51 1.238 -5.040 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 51 2.066 -2.583 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 51 3.503 -5.260 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.696 -3.940 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.255 -5.291 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.737 -4.372 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.053 -3.418 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.944 -2.795 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.846 -6.054 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.006 -6.679 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.454 -5.307 1.135 1.00 0.00 H new ATOM 866 N GLN A 52 3.980 -3.846 -4.377 1.00 0.00 N ATOM 867 CA GLN A 52 5.029 -3.531 -5.332 1.00 0.00 C ATOM 868 C GLN A 52 4.588 -2.411 -6.273 1.00 0.00 C ATOM 869 O GLN A 52 5.341 -1.472 -6.533 1.00 0.00 O ATOM 870 CB GLN A 52 5.402 -4.776 -6.136 1.00 0.00 C ATOM 871 CG GLN A 52 6.672 -4.616 -6.955 1.00 0.00 C ATOM 872 CD GLN A 52 7.888 -4.348 -6.091 1.00 0.00 C ATOM 873 OE1 GLN A 52 8.548 -5.275 -5.626 1.00 0.00 O ATOM 874 NE2 GLN A 52 8.202 -3.079 -5.885 1.00 0.00 N ATOM 0 H GLN A 52 3.599 -4.788 -4.463 1.00 0.00 H new ATOM 0 HA GLN A 52 5.904 -3.190 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.524 -5.616 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.578 -5.026 -6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.839 -5.519 -7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.544 -3.796 -7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.628 -2.339 -6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.019 -2.841 -5.322 1.00 0.00 H new ATOM 883 N SER A 53 3.354 -2.505 -6.757 1.00 0.00 N ATOM 884 CA SER A 53 2.824 -1.535 -7.707 1.00 0.00 C ATOM 885 C SER A 53 2.662 -0.158 -7.064 1.00 0.00 C ATOM 886 O SER A 53 2.832 0.863 -7.728 1.00 0.00 O ATOM 887 CB SER A 53 1.484 -2.016 -8.269 1.00 0.00 C ATOM 888 OG SER A 53 1.068 -1.209 -9.359 1.00 0.00 O ATOM 0 H SER A 53 2.700 -3.246 -6.505 1.00 0.00 H new ATOM 0 HA SER A 53 3.540 -1.444 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.573 -3.053 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.727 -1.991 -7.485 1.00 0.00 H new ATOM 0 HG SER A 53 0.210 -1.538 -9.701 1.00 0.00 H new ATOM 894 N PHE A 54 2.333 -0.128 -5.774 1.00 0.00 N ATOM 895 CA PHE A 54 2.201 1.134 -5.055 1.00 0.00 C ATOM 896 C PHE A 54 3.552 1.840 -5.008 1.00 0.00 C ATOM 897 O PHE A 54 3.639 3.058 -5.179 1.00 0.00 O ATOM 898 CB PHE A 54 1.677 0.896 -3.633 1.00 0.00 C ATOM 899 CG PHE A 54 1.210 2.147 -2.939 1.00 0.00 C ATOM 900 CD1 PHE A 54 2.108 2.966 -2.272 1.00 0.00 C ATOM 901 CD2 PHE A 54 -0.130 2.500 -2.952 1.00 0.00 C ATOM 902 CE1 PHE A 54 1.678 4.114 -1.634 1.00 0.00 C ATOM 903 CE2 PHE A 54 -0.565 3.647 -2.315 1.00 0.00 C ATOM 904 CZ PHE A 54 0.340 4.455 -1.656 1.00 0.00 C ATOM 0 H PHE A 54 2.154 -0.959 -5.210 1.00 0.00 H new ATOM 0 HA PHE A 54 1.483 1.764 -5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.852 0.185 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.465 0.435 -3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.155 2.704 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.843 1.872 -3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.388 4.744 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.612 3.911 -2.333 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.002 5.352 -1.159 1.00 0.00 H new ATOM 914 N ILE A 55 4.600 1.054 -4.795 1.00 0.00 N ATOM 915 CA ILE A 55 5.965 1.564 -4.794 1.00 0.00 C ATOM 916 C ILE A 55 6.322 2.119 -6.174 1.00 0.00 C ATOM 917 O ILE A 55 6.919 3.190 -6.293 1.00 0.00 O ATOM 918 CB ILE A 55 6.964 0.451 -4.402 1.00 0.00 C ATOM 919 CG1 ILE A 55 6.688 -0.028 -2.973 1.00 0.00 C ATOM 920 CG2 ILE A 55 8.403 0.931 -4.540 1.00 0.00 C ATOM 921 CD1 ILE A 55 7.562 -1.185 -2.538 1.00 0.00 C ATOM 0 H ILE A 55 4.529 0.052 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 55 6.030 2.365 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 55 6.827 -0.387 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.835 0.805 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.642 -0.325 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.083 0.127 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.592 1.220 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.564 1.789 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.309 -1.468 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.398 -2.034 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.609 -0.887 -2.583 1.00 0.00 H new ATOM 933 N GLU A 56 5.919 1.394 -7.212 1.00 0.00 N ATOM 934 CA GLU A 56 6.193 1.799 -8.588 1.00 0.00 C ATOM 935 C GLU A 56 5.393 3.040 -8.978 1.00 0.00 C ATOM 936 O GLU A 56 5.728 3.726 -9.945 1.00 0.00 O ATOM 937 CB GLU A 56 5.875 0.659 -9.556 1.00 0.00 C ATOM 938 CG GLU A 56 6.730 -0.579 -9.350 1.00 0.00 C ATOM 939 CD GLU A 56 6.505 -1.617 -10.427 1.00 0.00 C ATOM 940 OE1 GLU A 56 7.088 -1.468 -11.524 1.00 0.00 O ATOM 941 OE2 GLU A 56 5.741 -2.576 -10.192 1.00 0.00 O ATOM 0 H GLU A 56 5.400 0.520 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 56 7.254 2.042 -8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.825 0.386 -9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.008 1.015 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.782 -0.294 -9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.506 -1.015 -8.376 1.00 0.00 H new ATOM 948 N ARG A 57 4.332 3.326 -8.231 1.00 0.00 N ATOM 949 CA ARG A 57 3.500 4.491 -8.504 1.00 0.00 C ATOM 950 C ARG A 57 4.243 5.771 -8.145 1.00 0.00 C ATOM 951 O ARG A 57 4.027 6.817 -8.753 1.00 0.00 O ATOM 952 CB ARG A 57 2.184 4.422 -7.719 1.00 0.00 C ATOM 953 CG ARG A 57 1.225 5.567 -8.031 1.00 0.00 C ATOM 954 CD ARG A 57 0.926 6.420 -6.803 1.00 0.00 C ATOM 955 NE ARG A 57 2.122 7.080 -6.262 1.00 0.00 N ATOM 956 CZ ARG A 57 2.251 8.405 -6.132 1.00 0.00 C ATOM 957 NH1 ARG A 57 1.295 9.213 -6.575 1.00 0.00 N ATOM 958 NH2 ARG A 57 3.344 8.927 -5.580 1.00 0.00 N ATOM 0 H ARG A 57 4.029 2.768 -7.433 1.00 0.00 H new ATOM 0 HA ARG A 57 3.271 4.495 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.690 3.475 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.407 4.426 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.654 6.195 -8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.293 5.161 -8.425 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.186 7.177 -7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.482 5.793 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 57 2.902 6.492 -5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.461 8.823 -7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.394 10.223 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.092 8.315 -5.252 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.434 9.939 -5.485 1.00 0.00 H new ATOM 972 N ASP A 58 5.122 5.684 -7.154 1.00 0.00 N ATOM 973 CA ASP A 58 5.849 6.860 -6.686 1.00 0.00 C ATOM 974 C ASP A 58 6.802 7.349 -7.764 1.00 0.00 C ATOM 975 O ASP A 58 7.049 8.547 -7.905 1.00 0.00 O ATOM 976 CB ASP A 58 6.618 6.552 -5.407 1.00 0.00 C ATOM 977 CG ASP A 58 6.940 7.803 -4.627 1.00 0.00 C ATOM 978 OD1 ASP A 58 5.985 8.481 -4.174 1.00 0.00 O ATOM 979 OD2 ASP A 58 8.134 8.104 -4.454 1.00 0.00 O ATOM 0 H ASP A 58 5.348 4.820 -6.662 1.00 0.00 H new ATOM 0 HA ASP A 58 5.124 7.645 -6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.031 5.877 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.543 6.032 -5.656 1.00 0.00 H new ATOM 984 N ASP A 59 7.307 6.407 -8.551 1.00 0.00 N ATOM 985 CA ASP A 59 8.172 6.727 -9.682 1.00 0.00 C ATOM 986 C ASP A 59 7.409 7.539 -10.726 1.00 0.00 C ATOM 987 O ASP A 59 8.000 8.273 -11.514 1.00 0.00 O ATOM 988 CB ASP A 59 8.728 5.444 -10.309 1.00 0.00 C ATOM 989 CG ASP A 59 9.494 5.707 -11.592 1.00 0.00 C ATOM 990 OD1 ASP A 59 10.612 6.260 -11.523 1.00 0.00 O ATOM 991 OD2 ASP A 59 8.975 5.373 -12.676 1.00 0.00 O ATOM 0 H ASP A 59 7.132 5.410 -8.426 1.00 0.00 H new ATOM 0 HA ASP A 59 9.006 7.327 -9.318 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.384 4.949 -9.593 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.906 4.759 -10.515 1.00 0.00 H new ATOM 996 N THR A 60 6.091 7.415 -10.711 1.00 0.00 N ATOM 997 CA THR A 60 5.243 8.164 -11.619 1.00 0.00 C ATOM 998 C THR A 60 5.147 9.629 -11.179 1.00 0.00 C ATOM 999 O THR A 60 4.942 10.525 -11.998 1.00 0.00 O ATOM 1000 CB THR A 60 3.841 7.532 -11.698 1.00 0.00 C ATOM 1001 OG1 THR A 60 3.969 6.133 -11.997 1.00 0.00 O ATOM 1002 CG2 THR A 60 2.992 8.202 -12.767 1.00 0.00 C ATOM 0 H THR A 60 5.585 6.798 -10.075 1.00 0.00 H new ATOM 0 HA THR A 60 5.691 8.130 -12.612 1.00 0.00 H new ATOM 0 HB THR A 60 3.347 7.670 -10.736 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.079 5.726 -12.047 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.009 7.733 -12.798 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.882 9.261 -12.533 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.476 8.093 -13.737 1.00 0.00 H new ATOM 1010 N GLU A 61 5.316 9.874 -9.883 1.00 0.00 N ATOM 1011 CA GLU A 61 5.364 11.237 -9.373 1.00 0.00 C ATOM 1012 C GLU A 61 6.779 11.772 -9.566 1.00 0.00 C ATOM 1013 O GLU A 61 6.992 12.957 -9.825 1.00 0.00 O ATOM 1014 CB GLU A 61 4.962 11.269 -7.897 1.00 0.00 C ATOM 1015 CG GLU A 61 4.642 12.662 -7.377 1.00 0.00 C ATOM 1016 CD GLU A 61 4.170 12.649 -5.938 1.00 0.00 C ATOM 1017 OE1 GLU A 61 3.583 11.629 -5.509 1.00 0.00 O ATOM 1018 OE2 GLU A 61 4.380 13.651 -5.224 1.00 0.00 O ATOM 0 H GLU A 61 5.421 9.150 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 61 4.659 11.866 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.091 10.629 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.770 10.846 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.529 13.290 -7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.873 13.113 -8.004 1.00 0.00 H new ATOM 1025 N LEU A 62 7.740 10.863 -9.456 1.00 0.00 N ATOM 1026 CA LEU A 62 9.133 11.145 -9.771 1.00 0.00 C ATOM 1027 C LEU A 62 9.270 11.519 -11.244 1.00 0.00 C ATOM 1028 O LEU A 62 10.120 12.325 -11.621 1.00 0.00 O ATOM 1029 CB LEU A 62 9.981 9.906 -9.460 1.00 0.00 C ATOM 1030 CG LEU A 62 11.480 10.025 -9.736 1.00 0.00 C ATOM 1031 CD1 LEU A 62 12.085 11.172 -8.945 1.00 0.00 C ATOM 1032 CD2 LEU A 62 12.171 8.715 -9.391 1.00 0.00 C ATOM 0 H LEU A 62 7.573 9.906 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 62 9.481 11.983 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.846 9.654 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.591 9.070 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 62 11.626 10.235 -10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.152 11.237 -9.157 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.600 12.106 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.937 10.997 -7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.239 8.804 -9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.015 8.488 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.755 7.913 -10.000 1.00 0.00 H new ATOM 1044 N ASP A 63 8.410 10.928 -12.064 1.00 0.00 N ATOM 1045 CA ASP A 63 8.415 11.157 -13.499 1.00 0.00 C ATOM 1046 C ASP A 63 8.097 12.612 -13.811 1.00 0.00 C ATOM 1047 O ASP A 63 8.592 13.165 -14.788 1.00 0.00 O ATOM 1048 CB ASP A 63 7.407 10.234 -14.185 1.00 0.00 C ATOM 1049 CG ASP A 63 7.945 9.656 -15.476 1.00 0.00 C ATOM 1050 OD1 ASP A 63 8.703 8.662 -15.409 1.00 0.00 O ATOM 1051 OD2 ASP A 63 7.617 10.188 -16.557 1.00 0.00 O ATOM 0 H ASP A 63 7.690 10.277 -11.751 1.00 0.00 H new ATOM 0 HA ASP A 63 9.411 10.934 -13.881 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.142 9.422 -13.508 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.491 10.788 -14.391 1.00 0.00 H new ATOM 1056 N GLU A 64 7.287 13.232 -12.954 1.00 0.00 N ATOM 1057 CA GLU A 64 6.979 14.653 -13.078 1.00 0.00 C ATOM 1058 C GLU A 64 8.252 15.482 -12.979 1.00 0.00 C ATOM 1059 O GLU A 64 8.420 16.462 -13.695 1.00 0.00 O ATOM 1060 CB GLU A 64 5.989 15.086 -11.994 1.00 0.00 C ATOM 1061 CG GLU A 64 4.583 14.546 -12.194 1.00 0.00 C ATOM 1062 CD GLU A 64 3.831 15.261 -13.303 1.00 0.00 C ATOM 1063 OE1 GLU A 64 4.201 15.108 -14.481 1.00 0.00 O ATOM 1064 OE2 GLU A 64 2.844 15.964 -12.996 1.00 0.00 O ATOM 0 H GLU A 64 6.833 12.771 -12.166 1.00 0.00 H new ATOM 0 HA GLU A 64 6.524 14.819 -14.054 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.360 14.756 -11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.949 16.175 -11.966 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.637 13.482 -12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.026 14.642 -11.262 1.00 0.00 H new ATOM 1071 N LEU A 65 9.157 15.068 -12.099 1.00 0.00 N ATOM 1072 CA LEU A 65 10.427 15.761 -11.924 1.00 0.00 C ATOM 1073 C LEU A 65 11.356 15.482 -13.101 1.00 0.00 C ATOM 1074 O LEU A 65 12.187 16.315 -13.461 1.00 0.00 O ATOM 1075 CB LEU A 65 11.097 15.332 -10.615 1.00 0.00 C ATOM 1076 CG LEU A 65 10.318 15.667 -9.341 1.00 0.00 C ATOM 1077 CD1 LEU A 65 11.055 15.149 -8.117 1.00 0.00 C ATOM 1078 CD2 LEU A 65 10.095 17.168 -9.231 1.00 0.00 C ATOM 0 H LEU A 65 9.034 14.255 -11.495 1.00 0.00 H new ATOM 0 HA LEU A 65 10.227 16.832 -11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.263 14.255 -10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.078 15.804 -10.556 1.00 0.00 H new ATOM 0 HG LEU A 65 9.346 15.177 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.488 15.395 -7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.166 14.067 -8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.040 15.612 -8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.540 17.387 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.058 17.678 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.527 17.516 -10.094 1.00 0.00 H new ATOM 1267 N PRO A 75 16.590 18.768 -11.618 1.00 0.00 N ATOM 1268 CA PRO A 75 16.663 18.653 -10.174 1.00 0.00 C ATOM 1269 C PRO A 75 17.700 17.622 -9.740 1.00 0.00 C ATOM 1270 O PRO A 75 17.494 16.419 -9.900 1.00 0.00 O ATOM 1271 CB PRO A 75 15.250 18.197 -9.778 1.00 0.00 C ATOM 1272 CG PRO A 75 14.550 17.814 -11.053 1.00 0.00 C ATOM 1273 CD PRO A 75 15.569 17.873 -12.162 1.00 0.00 C ATOM 0 HA PRO A 75 16.966 19.587 -9.700 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.294 17.352 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.714 18.996 -9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.127 16.812 -10.973 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.722 18.494 -11.256 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.975 16.888 -12.391 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.140 18.263 -13.085 1.00 0.00 H new ATOM 1281 N SER A 76 18.818 18.093 -9.211 1.00 0.00 N ATOM 1282 CA SER A 76 19.873 17.204 -8.755 1.00 0.00 C ATOM 1283 C SER A 76 19.465 16.508 -7.459 1.00 0.00 C ATOM 1284 O SER A 76 19.133 15.323 -7.454 1.00 0.00 O ATOM 1285 CB SER A 76 21.172 17.987 -8.552 1.00 0.00 C ATOM 1286 OG SER A 76 21.548 18.664 -9.739 1.00 0.00 O ATOM 0 H SER A 76 19.018 19.086 -9.087 1.00 0.00 H new ATOM 0 HA SER A 76 20.038 16.442 -9.517 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.044 18.707 -7.744 1.00 0.00 H new ATOM 0 HB3 SER A 76 21.968 17.306 -8.250 1.00 0.00 H new ATOM 0 HG SER A 76 22.380 19.159 -9.584 1.00 0.00 H new ATOM 1292 N ASN A 77 19.458 17.263 -6.369 1.00 0.00 N ATOM 1293 CA ASN A 77 19.154 16.708 -5.056 1.00 0.00 C ATOM 1294 C ASN A 77 17.657 16.471 -4.898 1.00 0.00 C ATOM 1295 O ASN A 77 17.232 15.498 -4.279 1.00 0.00 O ATOM 1296 CB ASN A 77 19.646 17.648 -3.947 1.00 0.00 C ATOM 1297 CG ASN A 77 21.157 17.811 -3.925 1.00 0.00 C ATOM 1298 OD1 ASN A 77 21.826 17.735 -4.957 1.00 0.00 O ATOM 1299 ND2 ASN A 77 21.704 18.052 -2.746 1.00 0.00 N ATOM 0 H ASN A 77 19.660 18.263 -6.367 1.00 0.00 H new ATOM 0 HA ASN A 77 19.671 15.752 -4.971 1.00 0.00 H new ATOM 0 HB2 ASN A 77 19.184 18.626 -4.078 1.00 0.00 H new ATOM 0 HB3 ASN A 77 19.315 17.265 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 77 22.713 18.182 -2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 77 21.117 18.108 -1.913 1.00 0.00 H new ATOM 1306 N ARG A 78 16.862 17.353 -5.490 1.00 0.00 N ATOM 1307 CA ARG A 78 15.413 17.318 -5.317 1.00 0.00 C ATOM 1308 C ARG A 78 14.804 16.055 -5.925 1.00 0.00 C ATOM 1309 O ARG A 78 13.786 15.558 -5.446 1.00 0.00 O ATOM 1310 CB ARG A 78 14.771 18.565 -5.928 1.00 0.00 C ATOM 1311 CG ARG A 78 15.351 19.864 -5.389 1.00 0.00 C ATOM 1312 CD ARG A 78 14.547 21.073 -5.836 1.00 0.00 C ATOM 1313 NE ARG A 78 15.199 22.328 -5.459 1.00 0.00 N ATOM 1314 CZ ARG A 78 14.873 23.050 -4.387 1.00 0.00 C ATOM 1315 NH1 ARG A 78 13.921 22.636 -3.556 1.00 0.00 N ATOM 1316 NH2 ARG A 78 15.516 24.185 -4.142 1.00 0.00 N ATOM 0 H ARG A 78 17.196 18.103 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 78 15.209 17.303 -4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.900 18.539 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.699 18.546 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.375 19.826 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 78 16.382 19.969 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.415 21.042 -6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.552 21.032 -5.392 1.00 0.00 H new ATOM 0 HE ARG A 78 15.952 22.672 -6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.433 21.759 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.679 23.196 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.254 24.499 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.272 24.743 -3.324 1.00 0.00 H new ATOM 1330 N GLN A 79 15.433 15.528 -6.973 1.00 0.00 N ATOM 1331 CA GLN A 79 14.956 14.299 -7.593 1.00 0.00 C ATOM 1332 C GLN A 79 15.278 13.108 -6.695 1.00 0.00 C ATOM 1333 O GLN A 79 14.504 12.152 -6.603 1.00 0.00 O ATOM 1334 CB GLN A 79 15.578 14.111 -8.980 1.00 0.00 C ATOM 1335 CG GLN A 79 15.088 12.866 -9.699 1.00 0.00 C ATOM 1336 CD GLN A 79 15.612 12.752 -11.117 1.00 0.00 C ATOM 1337 OE1 GLN A 79 15.855 13.754 -11.792 1.00 0.00 O ATOM 1338 NE2 GLN A 79 15.789 11.525 -11.578 1.00 0.00 N ATOM 0 H GLN A 79 16.265 15.929 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 79 13.875 14.367 -7.717 1.00 0.00 H new ATOM 0 HB2 GLN A 79 15.355 14.986 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 79 16.662 14.060 -8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 79 15.391 11.985 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 79 13.998 12.871 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.576 10.722 -10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 79 16.139 11.382 -12.525 1.00 0.00 H new ATOM 1347 N VAL A 80 16.413 13.188 -6.013 1.00 0.00 N ATOM 1348 CA VAL A 80 16.818 12.151 -5.077 1.00 0.00 C ATOM 1349 C VAL A 80 15.867 12.122 -3.884 1.00 0.00 C ATOM 1350 O VAL A 80 15.490 11.053 -3.408 1.00 0.00 O ATOM 1351 CB VAL A 80 18.267 12.368 -4.580 1.00 0.00 C ATOM 1352 CG1 VAL A 80 18.689 11.256 -3.631 1.00 0.00 C ATOM 1353 CG2 VAL A 80 19.228 12.455 -5.757 1.00 0.00 C ATOM 0 H VAL A 80 17.071 13.964 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 80 16.778 11.197 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 80 18.299 13.311 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.711 11.432 -3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.022 11.241 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.636 10.297 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.242 12.608 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.186 11.529 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 80 18.945 13.291 -6.397 1.00 0.00 H new ATOM 1363 N LEU A 81 15.467 13.305 -3.423 1.00 0.00 N ATOM 1364 CA LEU A 81 14.519 13.428 -2.315 1.00 0.00 C ATOM 1365 C LEU A 81 13.227 12.669 -2.604 1.00 0.00 C ATOM 1366 O LEU A 81 12.668 12.028 -1.714 1.00 0.00 O ATOM 1367 CB LEU A 81 14.207 14.902 -2.026 1.00 0.00 C ATOM 1368 CG LEU A 81 15.019 15.542 -0.891 1.00 0.00 C ATOM 1369 CD1 LEU A 81 14.724 14.850 0.430 1.00 0.00 C ATOM 1370 CD2 LEU A 81 16.511 15.498 -1.192 1.00 0.00 C ATOM 0 H LEU A 81 15.786 14.197 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 81 14.986 12.987 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.375 15.476 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.148 14.990 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 81 14.721 16.587 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.308 15.316 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.662 14.941 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.990 13.796 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.061 15.958 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.829 14.462 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.712 16.043 -2.114 1.00 0.00 H new ATOM 1382 N LEU A 82 12.763 12.740 -3.848 1.00 0.00 N ATOM 1383 CA LEU A 82 11.581 11.993 -4.263 1.00 0.00 C ATOM 1384 C LEU A 82 11.897 10.501 -4.238 1.00 0.00 C ATOM 1385 O LEU A 82 11.200 9.723 -3.592 1.00 0.00 O ATOM 1386 CB LEU A 82 11.142 12.431 -5.674 1.00 0.00 C ATOM 1387 CG LEU A 82 9.729 12.007 -6.136 1.00 0.00 C ATOM 1388 CD1 LEU A 82 9.577 10.495 -6.215 1.00 0.00 C ATOM 1389 CD2 LEU A 82 8.664 12.586 -5.227 1.00 0.00 C ATOM 0 H LEU A 82 13.186 13.305 -4.584 1.00 0.00 H new ATOM 0 HA LEU A 82 10.761 12.197 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.202 13.518 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.864 12.038 -6.390 1.00 0.00 H new ATOM 0 HG LEU A 82 9.597 12.407 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.568 10.247 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.299 10.093 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.755 10.060 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.680 12.272 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.821 12.228 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.725 13.674 -5.243 1.00 0.00 H new ATOM 1401 N GLN A 83 12.967 10.122 -4.931 1.00 0.00 N ATOM 1402 CA GLN A 83 13.374 8.722 -5.035 1.00 0.00 C ATOM 1403 C GLN A 83 13.469 8.063 -3.657 1.00 0.00 C ATOM 1404 O GLN A 83 13.086 6.902 -3.480 1.00 0.00 O ATOM 1405 CB GLN A 83 14.723 8.622 -5.750 1.00 0.00 C ATOM 1406 CG GLN A 83 15.243 7.201 -5.857 1.00 0.00 C ATOM 1407 CD GLN A 83 16.650 7.122 -6.407 1.00 0.00 C ATOM 1408 OE1 GLN A 83 17.067 7.951 -7.217 1.00 0.00 O ATOM 1409 NE2 GLN A 83 17.392 6.121 -5.962 1.00 0.00 N ATOM 0 H GLN A 83 13.573 10.770 -5.433 1.00 0.00 H new ATOM 0 HA GLN A 83 12.614 8.194 -5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 83 14.628 9.043 -6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 83 15.454 9.230 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.218 6.737 -4.871 1.00 0.00 H new ATOM 0 HG3 GLN A 83 14.576 6.624 -6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.004 5.458 -5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.352 6.012 -6.290 1.00 0.00 H new ATOM 1418 N GLN A 84 13.961 8.819 -2.683 1.00 0.00 N ATOM 1419 CA GLN A 84 14.163 8.311 -1.332 1.00 0.00 C ATOM 1420 C GLN A 84 12.872 7.830 -0.686 1.00 0.00 C ATOM 1421 O GLN A 84 12.922 6.990 0.209 1.00 0.00 O ATOM 1422 CB GLN A 84 14.796 9.371 -0.448 1.00 0.00 C ATOM 1423 CG GLN A 84 16.252 9.649 -0.780 1.00 0.00 C ATOM 1424 CD GLN A 84 16.901 10.625 0.180 1.00 0.00 C ATOM 1425 OE1 GLN A 84 18.103 10.554 0.432 1.00 0.00 O ATOM 1426 NE2 GLN A 84 16.112 11.537 0.723 1.00 0.00 N ATOM 0 H GLN A 84 14.230 9.795 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 84 14.831 7.455 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.228 10.296 -0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.723 9.055 0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.807 8.711 -0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 84 16.319 10.045 -1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.120 11.560 0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.495 12.218 1.379 1.00 0.00 H new ATOM 1435 N ARG A 85 11.727 8.360 -1.129 1.00 0.00 N ATOM 1436 CA ARG A 85 10.434 7.922 -0.602 1.00 0.00 C ATOM 1437 C ARG A 85 10.351 6.411 -0.615 1.00 0.00 C ATOM 1438 O ARG A 85 10.295 5.756 0.428 1.00 0.00 O ATOM 1439 CB ARG A 85 9.271 8.429 -1.451 1.00 0.00 C ATOM 1440 CG ARG A 85 8.928 9.898 -1.329 1.00 0.00 C ATOM 1441 CD ARG A 85 7.660 10.154 -2.121 1.00 0.00 C ATOM 1442 NE ARG A 85 7.241 11.548 -2.152 1.00 0.00 N ATOM 1443 CZ ARG A 85 6.253 11.976 -2.937 1.00 0.00 C ATOM 1444 NH1 ARG A 85 5.621 11.113 -3.726 1.00 0.00 N ATOM 1445 NH2 ARG A 85 5.903 13.254 -2.947 1.00 0.00 N ATOM 0 H ARG A 85 11.671 9.085 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 85 10.361 8.323 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.496 8.218 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.384 7.850 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.785 10.170 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.744 10.512 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.810 9.809 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.854 9.554 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 85 7.720 12.220 -1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.893 10.130 -3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.864 11.434 -4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.391 13.921 -2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.145 13.571 -3.552 1.00 0.00 H new ATOM 1459 N ARG A 86 10.387 5.866 -1.816 1.00 0.00 N ATOM 1460 CA ARG A 86 10.154 4.447 -2.002 1.00 0.00 C ATOM 1461 C ARG A 86 11.471 3.687 -1.954 1.00 0.00 C ATOM 1462 O ARG A 86 11.494 2.461 -1.960 1.00 0.00 O ATOM 1463 CB ARG A 86 9.380 4.165 -3.303 1.00 0.00 C ATOM 1464 CG ARG A 86 10.227 4.029 -4.561 1.00 0.00 C ATOM 1465 CD ARG A 86 10.802 5.352 -5.034 1.00 0.00 C ATOM 1466 NE ARG A 86 11.591 5.179 -6.254 1.00 0.00 N ATOM 1467 CZ ARG A 86 12.858 4.760 -6.268 1.00 0.00 C ATOM 1468 NH1 ARG A 86 13.495 4.530 -5.128 1.00 0.00 N ATOM 1469 NH2 ARG A 86 13.493 4.587 -7.416 1.00 0.00 N ATOM 0 H ARG A 86 10.575 6.383 -2.675 1.00 0.00 H new ATOM 0 HA ARG A 86 9.528 4.093 -1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.808 3.246 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.660 4.969 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.043 3.332 -4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.620 3.598 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.993 6.058 -5.218 1.00 0.00 H new ATOM 0 HD3 ARG A 86 11.427 5.781 -4.251 1.00 0.00 H new ATOM 0 HE ARG A 86 11.146 5.391 -7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.017 4.673 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.463 4.210 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.014 4.774 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.461 4.267 -7.420 1.00 0.00 H new ATOM 1483 N ASP A 87 12.573 4.427 -1.889 1.00 0.00 N ATOM 1484 CA ASP A 87 13.877 3.814 -1.683 1.00 0.00 C ATOM 1485 C ASP A 87 14.005 3.434 -0.213 1.00 0.00 C ATOM 1486 O ASP A 87 14.563 2.391 0.132 1.00 0.00 O ATOM 1487 CB ASP A 87 15.008 4.760 -2.096 1.00 0.00 C ATOM 1488 CG ASP A 87 16.058 4.067 -2.949 1.00 0.00 C ATOM 1489 OD1 ASP A 87 16.891 3.323 -2.395 1.00 0.00 O ATOM 1490 OD2 ASP A 87 16.056 4.268 -4.183 1.00 0.00 O ATOM 0 H ASP A 87 12.588 5.443 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 87 13.960 2.924 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.591 5.601 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.481 5.169 -1.203 1.00 0.00 H new ATOM 1495 N GLN A 88 13.455 4.285 0.652 1.00 0.00 N ATOM 1496 CA GLN A 88 13.328 3.963 2.067 1.00 0.00 C ATOM 1497 C GLN A 88 12.343 2.817 2.232 1.00 0.00 C ATOM 1498 O GLN A 88 12.556 1.909 3.039 1.00 0.00 O ATOM 1499 CB GLN A 88 12.853 5.178 2.873 1.00 0.00 C ATOM 1500 CG GLN A 88 12.544 4.854 4.329 1.00 0.00 C ATOM 1501 CD GLN A 88 11.978 6.035 5.094 1.00 0.00 C ATOM 1502 OE1 GLN A 88 12.309 7.189 4.821 1.00 0.00 O ATOM 1503 NE2 GLN A 88 11.118 5.752 6.061 1.00 0.00 N ATOM 0 H GLN A 88 13.091 5.202 0.395 1.00 0.00 H new ATOM 0 HA GLN A 88 14.307 3.671 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.620 5.952 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.960 5.590 2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.833 4.029 4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.455 4.513 4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.870 4.782 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.704 6.504 6.611 1.00 0.00 H new ATOM 1512 N GLU A 89 11.269 2.859 1.450 1.00 0.00 N ATOM 1513 CA GLU A 89 10.292 1.783 1.446 1.00 0.00 C ATOM 1514 C GLU A 89 10.936 0.466 1.042 1.00 0.00 C ATOM 1515 O GLU A 89 10.539 -0.579 1.526 1.00 0.00 O ATOM 1516 CB GLU A 89 9.121 2.097 0.516 1.00 0.00 C ATOM 1517 CG GLU A 89 8.228 3.214 1.023 1.00 0.00 C ATOM 1518 CD GLU A 89 6.979 3.380 0.186 1.00 0.00 C ATOM 1519 OE1 GLU A 89 6.074 2.526 0.287 1.00 0.00 O ATOM 1520 OE2 GLU A 89 6.883 4.376 -0.558 1.00 0.00 O ATOM 0 H GLU A 89 11.056 3.627 0.813 1.00 0.00 H new ATOM 0 HA GLU A 89 9.908 1.690 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.510 2.370 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.522 1.196 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.945 3.009 2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.787 4.150 1.025 1.00 0.00 H new ATOM 1527 N LEU A 90 11.933 0.520 0.160 1.00 0.00 N ATOM 1528 CA LEU A 90 12.675 -0.678 -0.236 1.00 0.00 C ATOM 1529 C LEU A 90 13.539 -1.185 0.918 1.00 0.00 C ATOM 1530 O LEU A 90 13.738 -2.390 1.081 1.00 0.00 O ATOM 1531 CB LEU A 90 13.555 -0.403 -1.461 1.00 0.00 C ATOM 1532 CG LEU A 90 12.798 -0.119 -2.761 1.00 0.00 C ATOM 1533 CD1 LEU A 90 13.772 0.170 -3.892 1.00 0.00 C ATOM 1534 CD2 LEU A 90 11.889 -1.289 -3.119 1.00 0.00 C ATOM 0 H LEU A 90 12.246 1.378 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 90 11.946 -1.445 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.199 0.449 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.207 -1.262 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 90 12.175 0.763 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.217 0.370 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.377 1.040 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.422 -0.692 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.360 -1.068 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.489 -2.189 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.167 -1.447 -2.318 1.00 0.00 H new ATOM 1546 N LYS A 91 14.034 -0.257 1.721 1.00 0.00 N ATOM 1547 CA LYS A 91 14.840 -0.599 2.884 1.00 0.00 C ATOM 1548 C LYS A 91 14.000 -1.372 3.903 1.00 0.00 C ATOM 1549 O LYS A 91 14.463 -2.348 4.494 1.00 0.00 O ATOM 1550 CB LYS A 91 15.418 0.678 3.505 1.00 0.00 C ATOM 1551 CG LYS A 91 16.267 0.446 4.745 1.00 0.00 C ATOM 1552 CD LYS A 91 16.945 1.733 5.191 1.00 0.00 C ATOM 1553 CE LYS A 91 17.744 1.542 6.473 1.00 0.00 C ATOM 1554 NZ LYS A 91 18.697 0.404 6.377 1.00 0.00 N ATOM 0 H LYS A 91 13.891 0.744 1.588 1.00 0.00 H new ATOM 0 HA LYS A 91 15.666 -1.239 2.574 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.023 1.190 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.596 1.346 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.642 0.062 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.021 -0.313 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.607 2.087 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.191 2.505 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.294 2.456 6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.059 1.371 7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.345 0.424 7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.169 -0.492 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.244 0.483 5.496 1.00 0.00 H new ATOM 1568 N GLU A 92 12.757 -0.943 4.085 1.00 0.00 N ATOM 1569 CA GLU A 92 11.847 -1.611 5.007 1.00 0.00 C ATOM 1570 C GLU A 92 11.188 -2.810 4.319 1.00 0.00 C ATOM 1571 O GLU A 92 10.799 -3.776 4.964 1.00 0.00 O ATOM 1572 CB GLU A 92 10.798 -0.616 5.510 1.00 0.00 C ATOM 1573 CG GLU A 92 10.019 -1.097 6.721 1.00 0.00 C ATOM 1574 CD GLU A 92 9.325 0.038 7.442 1.00 0.00 C ATOM 1575 OE1 GLU A 92 10.025 0.830 8.114 1.00 0.00 O ATOM 1576 OE2 GLU A 92 8.086 0.146 7.348 1.00 0.00 O ATOM 0 H GLU A 92 12.356 -0.136 3.607 1.00 0.00 H new ATOM 0 HA GLU A 92 12.407 -1.982 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.293 0.323 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.098 -0.403 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.278 -1.832 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.696 -1.602 7.409 1.00 0.00 H new ATOM 1583 N PHE A 93 11.097 -2.726 2.997 1.00 0.00 N ATOM 1584 CA PHE A 93 10.603 -3.803 2.135 1.00 0.00 C ATOM 1585 C PHE A 93 11.346 -5.104 2.431 1.00 0.00 C ATOM 1586 O PHE A 93 10.746 -6.180 2.515 1.00 0.00 O ATOM 1587 CB PHE A 93 10.826 -3.366 0.680 1.00 0.00 C ATOM 1588 CG PHE A 93 10.356 -4.300 -0.394 1.00 0.00 C ATOM 1589 CD1 PHE A 93 11.207 -5.258 -0.918 1.00 0.00 C ATOM 1590 CD2 PHE A 93 9.082 -4.180 -0.921 1.00 0.00 C ATOM 1591 CE1 PHE A 93 10.794 -6.083 -1.942 1.00 0.00 C ATOM 1592 CE2 PHE A 93 8.660 -5.006 -1.941 1.00 0.00 C ATOM 1593 CZ PHE A 93 9.518 -5.958 -2.456 1.00 0.00 C ATOM 0 H PHE A 93 11.370 -1.891 2.479 1.00 0.00 H new ATOM 0 HA PHE A 93 9.544 -3.986 2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.329 -2.407 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 93 11.893 -3.197 0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.206 -5.360 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.411 -3.431 -0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.467 -6.826 -2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.660 -4.909 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.192 -6.603 -3.259 1.00 0.00 H new ATOM 1603 N LYS A 94 12.656 -4.974 2.608 1.00 0.00 N ATOM 1604 CA LYS A 94 13.527 -6.105 2.917 1.00 0.00 C ATOM 1605 C LYS A 94 13.156 -6.760 4.249 1.00 0.00 C ATOM 1606 O LYS A 94 13.327 -7.966 4.426 1.00 0.00 O ATOM 1607 CB LYS A 94 14.978 -5.627 2.969 1.00 0.00 C ATOM 1608 CG LYS A 94 15.471 -5.043 1.659 1.00 0.00 C ATOM 1609 CD LYS A 94 16.741 -4.234 1.858 1.00 0.00 C ATOM 1610 CE LYS A 94 17.319 -3.770 0.533 1.00 0.00 C ATOM 1611 NZ LYS A 94 17.823 -4.912 -0.276 1.00 0.00 N ATOM 0 H LYS A 94 13.146 -4.082 2.542 1.00 0.00 H new ATOM 0 HA LYS A 94 13.402 -6.851 2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.077 -4.876 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 94 15.618 -6.464 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 94 15.658 -5.847 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.697 -4.408 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.528 -3.369 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.479 -4.837 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.555 -3.234 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 94 18.132 -3.067 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.429 -4.554 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.373 -5.552 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.019 -5.430 -0.685 1.00 0.00 H new ATOM 1625 N ALA A 95 12.640 -5.966 5.178 1.00 0.00 N ATOM 1626 CA ALA A 95 12.324 -6.457 6.515 1.00 0.00 C ATOM 1627 C ALA A 95 10.816 -6.493 6.745 1.00 0.00 C ATOM 1628 O ALA A 95 10.353 -6.623 7.880 1.00 0.00 O ATOM 1629 CB ALA A 95 12.997 -5.588 7.565 1.00 0.00 C ATOM 0 H ALA A 95 12.431 -4.979 5.031 1.00 0.00 H new ATOM 0 HA ALA A 95 12.703 -7.475 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.754 -5.964 8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.077 -5.614 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.643 -4.562 7.469 1.00 0.00 H new ATOM 1635 N GLY A 96 10.057 -6.379 5.665 1.00 0.00 N ATOM 1636 CA GLY A 96 8.613 -6.381 5.771 1.00 0.00 C ATOM 1637 C GLY A 96 8.058 -4.993 6.006 1.00 0.00 C ATOM 1638 O GLY A 96 8.449 -4.316 6.953 1.00 0.00 O ATOM 0 H GLY A 96 10.417 -6.285 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.183 -6.793 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.311 -7.035 6.589 1.00 0.00 H new ATOM 1642 N PHE A 97 7.144 -4.574 5.147 1.00 0.00 N ATOM 1643 CA PHE A 97 6.544 -3.252 5.253 1.00 0.00 C ATOM 1644 C PHE A 97 5.220 -3.345 6.008 1.00 0.00 C ATOM 1645 O PHE A 97 4.591 -4.406 6.033 1.00 0.00 O ATOM 1646 CB PHE A 97 6.328 -2.661 3.855 1.00 0.00 C ATOM 1647 CG PHE A 97 6.008 -1.191 3.852 1.00 0.00 C ATOM 1648 CD1 PHE A 97 7.017 -0.253 4.000 1.00 0.00 C ATOM 1649 CD2 PHE A 97 4.704 -0.747 3.696 1.00 0.00 C ATOM 1650 CE1 PHE A 97 6.733 1.099 3.995 1.00 0.00 C ATOM 1651 CE2 PHE A 97 4.413 0.603 3.691 1.00 0.00 C ATOM 1652 CZ PHE A 97 5.429 1.528 3.839 1.00 0.00 C ATOM 0 H PHE A 97 6.799 -5.131 4.365 1.00 0.00 H new ATOM 0 HA PHE A 97 7.215 -2.594 5.805 1.00 0.00 H new ATOM 0 HB2 PHE A 97 7.225 -2.828 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.516 -3.200 3.366 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.038 -0.583 4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.906 -1.465 3.577 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.529 1.819 4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.392 0.936 3.572 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.204 2.584 3.833 1.00 0.00 H new ATOM 1662 N LEU A 98 4.810 -2.247 6.632 1.00 0.00 N ATOM 1663 CA LEU A 98 3.561 -2.211 7.384 1.00 0.00 C ATOM 1664 C LEU A 98 2.357 -2.150 6.444 1.00 0.00 C ATOM 1665 O LEU A 98 2.017 -1.090 5.915 1.00 0.00 O ATOM 1666 CB LEU A 98 3.544 -1.009 8.334 1.00 0.00 C ATOM 1667 CG LEU A 98 2.302 -0.893 9.224 1.00 0.00 C ATOM 1668 CD1 LEU A 98 2.225 -2.067 10.187 1.00 0.00 C ATOM 1669 CD2 LEU A 98 2.314 0.425 9.984 1.00 0.00 C ATOM 0 H LEU A 98 5.326 -1.367 6.632 1.00 0.00 H new ATOM 0 HA LEU A 98 3.495 -3.128 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.425 -1.060 8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.632 -0.098 7.742 1.00 0.00 H new ATOM 0 HG LEU A 98 1.417 -0.914 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.337 -1.968 10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.170 -2.998 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.113 -2.078 10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.425 0.491 10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.205 0.476 10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.321 1.253 9.276 1.00 0.00 H new ATOM 1681 N CYS A 99 1.745 -3.299 6.209 1.00 0.00 N ATOM 1682 CA CYS A 99 0.550 -3.379 5.381 1.00 0.00 C ATOM 1683 C CYS A 99 -0.554 -4.138 6.117 1.00 0.00 C ATOM 1684 O CYS A 99 -0.275 -5.062 6.877 1.00 0.00 O ATOM 1685 CB CYS A 99 0.874 -4.053 4.046 1.00 0.00 C ATOM 1686 SG CYS A 99 2.080 -3.146 3.050 1.00 0.00 S ATOM 0 H CYS A 99 2.058 -4.195 6.582 1.00 0.00 H new ATOM 0 HA CYS A 99 0.195 -2.369 5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.255 -5.056 4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.046 -4.166 3.473 1.00 0.00 H new ATOM 0 HG CYS A 99 1.545 -2.820 1.911 1.00 0.00 H new ATOM 1692 N PRO A 100 -1.823 -3.744 5.918 1.00 0.00 N ATOM 1693 CA PRO A 100 -2.960 -4.407 6.562 1.00 0.00 C ATOM 1694 C PRO A 100 -3.167 -5.837 6.062 1.00 0.00 C ATOM 1695 O PRO A 100 -2.834 -6.167 4.921 1.00 0.00 O ATOM 1696 CB PRO A 100 -4.157 -3.528 6.187 1.00 0.00 C ATOM 1697 CG PRO A 100 -3.733 -2.791 4.965 1.00 0.00 C ATOM 1698 CD PRO A 100 -2.242 -2.623 5.063 1.00 0.00 C ATOM 0 HA PRO A 100 -2.810 -4.504 7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.044 -4.132 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.409 -2.840 6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.003 -3.344 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.229 -1.822 4.904 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.768 -2.668 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.975 -1.662 5.502 1.00 0.00 H new ATOM 1706 N ASP A 101 -3.711 -6.679 6.932 1.00 0.00 N ATOM 1707 CA ASP A 101 -3.960 -8.078 6.602 1.00 0.00 C ATOM 1708 C ASP A 101 -5.156 -8.190 5.666 1.00 0.00 C ATOM 1709 O ASP A 101 -6.295 -7.946 6.067 1.00 0.00 O ATOM 1710 CB ASP A 101 -4.219 -8.879 7.881 1.00 0.00 C ATOM 1711 CG ASP A 101 -4.244 -10.381 7.655 1.00 0.00 C ATOM 1712 OD1 ASP A 101 -5.023 -10.856 6.804 1.00 0.00 O ATOM 1713 OD2 ASP A 101 -3.497 -11.096 8.357 1.00 0.00 O ATOM 0 H ASP A 101 -3.990 -6.416 7.877 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.081 -8.484 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.447 -8.642 8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.171 -8.567 8.310 1.00 0.00 H new ATOM 1718 N LEU A 102 -4.897 -8.550 4.418 1.00 0.00 N ATOM 1719 CA LEU A 102 -5.952 -8.636 3.416 1.00 0.00 C ATOM 1720 C LEU A 102 -6.545 -10.032 3.332 1.00 0.00 C ATOM 1721 O LEU A 102 -7.440 -10.275 2.530 1.00 0.00 O ATOM 1722 CB LEU A 102 -5.429 -8.244 2.037 1.00 0.00 C ATOM 1723 CG LEU A 102 -5.003 -6.789 1.878 1.00 0.00 C ATOM 1724 CD1 LEU A 102 -4.717 -6.498 0.417 1.00 0.00 C ATOM 1725 CD2 LEU A 102 -6.078 -5.853 2.408 1.00 0.00 C ATOM 0 H LEU A 102 -3.967 -8.787 4.074 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.731 -7.941 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.577 -8.881 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.204 -8.459 1.301 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.096 -6.622 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.413 -5.457 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.917 -7.149 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.616 -6.678 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.754 -4.820 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.003 -6.011 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.248 -6.056 3.465 1.00 0.00 H new ATOM 1737 N SER A 103 -6.058 -10.945 4.159 1.00 0.00 N ATOM 1738 CA SER A 103 -6.500 -12.329 4.093 1.00 0.00 C ATOM 1739 C SER A 103 -7.571 -12.626 5.139 1.00 0.00 C ATOM 1740 O SER A 103 -7.921 -13.784 5.377 1.00 0.00 O ATOM 1741 CB SER A 103 -5.306 -13.278 4.241 1.00 0.00 C ATOM 1742 OG SER A 103 -4.363 -12.801 5.196 1.00 0.00 O ATOM 0 H SER A 103 -5.361 -10.754 4.879 1.00 0.00 H new ATOM 0 HA SER A 103 -6.951 -12.492 3.114 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.661 -14.264 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.815 -13.398 3.275 1.00 0.00 H new ATOM 0 HG SER A 103 -4.830 -12.294 5.892 1.00 0.00 H new ATOM 1748 N ASP A 104 -8.098 -11.575 5.745 1.00 0.00 N ATOM 1749 CA ASP A 104 -9.176 -11.709 6.714 1.00 0.00 C ATOM 1750 C ASP A 104 -10.339 -10.798 6.341 1.00 0.00 C ATOM 1751 O ASP A 104 -10.133 -9.644 5.956 1.00 0.00 O ATOM 1752 CB ASP A 104 -8.676 -11.383 8.118 1.00 0.00 C ATOM 1753 CG ASP A 104 -9.782 -11.451 9.147 1.00 0.00 C ATOM 1754 OD1 ASP A 104 -10.097 -12.560 9.612 1.00 0.00 O ATOM 1755 OD2 ASP A 104 -10.351 -10.392 9.484 1.00 0.00 O ATOM 0 H ASP A 104 -7.796 -10.614 5.583 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.525 -12.742 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.884 -12.081 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.238 -10.385 8.123 1.00 0.00 H new ATOM 1760 N ALA A 105 -11.557 -11.309 6.467 1.00 0.00 N ATOM 1761 CA ALA A 105 -12.743 -10.584 6.023 1.00 0.00 C ATOM 1762 C ALA A 105 -13.132 -9.471 6.989 1.00 0.00 C ATOM 1763 O ALA A 105 -13.755 -8.492 6.586 1.00 0.00 O ATOM 1764 CB ALA A 105 -13.910 -11.541 5.829 1.00 0.00 C ATOM 0 H ALA A 105 -11.751 -12.224 6.874 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.496 -10.118 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -14.786 -10.984 5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -13.648 -12.286 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.132 -12.040 6.772 1.00 0.00 H new ATOM 1770 N LYS A 106 -12.776 -9.611 8.260 1.00 0.00 N ATOM 1771 CA LYS A 106 -13.096 -8.578 9.237 1.00 0.00 C ATOM 1772 C LYS A 106 -12.125 -7.420 9.089 1.00 0.00 C ATOM 1773 O LYS A 106 -12.499 -6.257 9.228 1.00 0.00 O ATOM 1774 CB LYS A 106 -13.070 -9.114 10.675 1.00 0.00 C ATOM 1775 CG LYS A 106 -14.111 -10.190 10.954 1.00 0.00 C ATOM 1776 CD LYS A 106 -13.599 -11.575 10.596 1.00 0.00 C ATOM 1777 CE LYS A 106 -12.583 -12.068 11.614 1.00 0.00 C ATOM 1778 NZ LYS A 106 -11.968 -13.355 11.204 1.00 0.00 N ATOM 0 H LYS A 106 -12.274 -10.416 8.634 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.112 -8.235 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.080 -9.519 10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.227 -8.284 11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.386 -10.165 12.008 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.015 -9.978 10.384 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.435 -12.273 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.144 -11.552 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.803 -11.317 11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.069 -12.190 12.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.345 -13.699 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.716 -14.056 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.412 -13.213 10.337 1.00 0.00 H new ATOM 1792 N ASN A 107 -10.879 -7.749 8.779 1.00 0.00 N ATOM 1793 CA ASN A 107 -9.877 -6.734 8.490 1.00 0.00 C ATOM 1794 C ASN A 107 -10.265 -5.956 7.245 1.00 0.00 C ATOM 1795 O ASN A 107 -10.196 -4.730 7.230 1.00 0.00 O ATOM 1796 CB ASN A 107 -8.494 -7.361 8.316 1.00 0.00 C ATOM 1797 CG ASN A 107 -7.943 -7.903 9.617 1.00 0.00 C ATOM 1798 OD1 ASN A 107 -8.243 -7.388 10.697 1.00 0.00 O ATOM 1799 ND2 ASN A 107 -7.136 -8.947 9.528 1.00 0.00 N ATOM 0 H ASN A 107 -10.539 -8.709 8.721 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.832 -6.049 9.336 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.552 -8.167 7.584 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.807 -6.616 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.736 -9.356 10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.913 -9.343 8.615 1.00 0.00 H new ATOM 1806 N MET A 108 -10.688 -6.673 6.207 1.00 0.00 N ATOM 1807 CA MET A 108 -11.187 -6.033 4.995 1.00 0.00 C ATOM 1808 C MET A 108 -12.438 -5.209 5.302 1.00 0.00 C ATOM 1809 O MET A 108 -12.664 -4.157 4.706 1.00 0.00 O ATOM 1810 CB MET A 108 -11.488 -7.079 3.917 1.00 0.00 C ATOM 1811 CG MET A 108 -12.082 -6.494 2.642 1.00 0.00 C ATOM 1812 SD MET A 108 -11.082 -5.164 1.942 1.00 0.00 S ATOM 1813 CE MET A 108 -9.546 -6.024 1.612 1.00 0.00 C ATOM 0 H MET A 108 -10.695 -7.693 6.181 1.00 0.00 H new ATOM 0 HA MET A 108 -10.414 -5.363 4.618 1.00 0.00 H new ATOM 0 HB2 MET A 108 -10.567 -7.607 3.669 1.00 0.00 H new ATOM 0 HB3 MET A 108 -12.179 -7.817 4.323 1.00 0.00 H new ATOM 0 HG2 MET A 108 -12.191 -7.287 1.902 1.00 0.00 H new ATOM 0 HG3 MET A 108 -13.082 -6.116 2.854 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.959 -5.456 0.890 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.981 -6.128 2.538 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.762 -7.012 1.207 1.00 0.00 H new ATOM 1823 N GLU A 109 -13.239 -5.687 6.248 1.00 0.00 N ATOM 1824 CA GLU A 109 -14.434 -4.970 6.673 1.00 0.00 C ATOM 1825 C GLU A 109 -14.054 -3.616 7.268 1.00 0.00 C ATOM 1826 O GLU A 109 -14.588 -2.585 6.864 1.00 0.00 O ATOM 1827 CB GLU A 109 -15.218 -5.791 7.696 1.00 0.00 C ATOM 1828 CG GLU A 109 -16.572 -5.200 8.043 1.00 0.00 C ATOM 1829 CD GLU A 109 -17.296 -5.992 9.107 1.00 0.00 C ATOM 1830 OE1 GLU A 109 -17.525 -7.202 8.903 1.00 0.00 O ATOM 1831 OE2 GLU A 109 -17.658 -5.407 10.148 1.00 0.00 O ATOM 0 H GLU A 109 -13.081 -6.569 6.735 1.00 0.00 H new ATOM 0 HA GLU A 109 -15.066 -4.808 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -15.360 -6.799 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.626 -5.881 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -16.439 -4.174 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -17.187 -5.158 7.144 1.00 0.00 H new ATOM 1838 N PHE A 110 -13.117 -3.621 8.214 1.00 0.00 N ATOM 1839 CA PHE A 110 -12.636 -2.382 8.823 1.00 0.00 C ATOM 1840 C PHE A 110 -11.929 -1.512 7.795 1.00 0.00 C ATOM 1841 O PHE A 110 -11.987 -0.287 7.863 1.00 0.00 O ATOM 1842 CB PHE A 110 -11.685 -2.669 9.989 1.00 0.00 C ATOM 1843 CG PHE A 110 -12.366 -3.196 11.217 1.00 0.00 C ATOM 1844 CD1 PHE A 110 -13.214 -2.386 11.949 1.00 0.00 C ATOM 1845 CD2 PHE A 110 -12.157 -4.498 11.639 1.00 0.00 C ATOM 1846 CE1 PHE A 110 -13.846 -2.864 13.079 1.00 0.00 C ATOM 1847 CE2 PHE A 110 -12.786 -4.984 12.768 1.00 0.00 C ATOM 1848 CZ PHE A 110 -13.632 -4.165 13.491 1.00 0.00 C ATOM 0 H PHE A 110 -12.676 -4.467 8.575 1.00 0.00 H new ATOM 0 HA PHE A 110 -13.507 -1.849 9.204 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.936 -3.391 9.664 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.154 -1.752 10.246 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.384 -1.367 11.633 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -11.494 -5.141 11.079 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -14.508 -2.221 13.641 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -12.617 -6.002 13.085 1.00 0.00 H new ATOM 0 HZ PHE A 110 -14.124 -4.541 14.376 1.00 0.00 H new ATOM 1858 N LEU A 111 -11.260 -2.160 6.851 1.00 0.00 N ATOM 1859 CA LEU A 111 -10.552 -1.463 5.789 1.00 0.00 C ATOM 1860 C LEU A 111 -11.538 -0.746 4.868 1.00 0.00 C ATOM 1861 O LEU A 111 -11.299 0.380 4.444 1.00 0.00 O ATOM 1862 CB LEU A 111 -9.690 -2.464 5.006 1.00 0.00 C ATOM 1863 CG LEU A 111 -8.810 -1.879 3.897 1.00 0.00 C ATOM 1864 CD1 LEU A 111 -7.524 -2.677 3.776 1.00 0.00 C ATOM 1865 CD2 LEU A 111 -9.546 -1.887 2.567 1.00 0.00 C ATOM 0 H LEU A 111 -11.194 -3.177 6.801 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.900 -0.707 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.047 -2.988 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.349 -3.210 4.562 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.571 -0.848 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.906 -2.253 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.982 -2.638 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.760 -3.714 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.903 -1.467 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.810 -2.911 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.453 -1.288 2.649 1.00 0.00 H new ATOM 1877 N ARG A 112 -12.653 -1.402 4.569 1.00 0.00 N ATOM 1878 CA ARG A 112 -13.668 -0.810 3.712 1.00 0.00 C ATOM 1879 C ARG A 112 -14.499 0.205 4.491 1.00 0.00 C ATOM 1880 O ARG A 112 -14.940 1.217 3.948 1.00 0.00 O ATOM 1881 CB ARG A 112 -14.575 -1.890 3.118 1.00 0.00 C ATOM 1882 CG ARG A 112 -15.427 -1.380 1.971 1.00 0.00 C ATOM 1883 CD ARG A 112 -16.277 -2.478 1.359 1.00 0.00 C ATOM 1884 NE ARG A 112 -16.923 -2.025 0.129 1.00 0.00 N ATOM 1885 CZ ARG A 112 -17.500 -2.832 -0.759 1.00 0.00 C ATOM 1886 NH1 ARG A 112 -17.648 -4.127 -0.498 1.00 0.00 N ATOM 1887 NH2 ARG A 112 -17.966 -2.329 -1.893 1.00 0.00 N ATOM 0 H ARG A 112 -12.875 -2.339 4.906 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.163 -0.296 2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -13.962 -2.720 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.225 -2.282 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -16.073 -0.579 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.782 -0.951 1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -15.655 -3.347 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -17.035 -2.796 2.075 1.00 0.00 H new ATOM 0 HE ARG A 112 -16.933 -1.023 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -17.318 -4.510 0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -18.091 -4.738 -1.184 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.881 -1.330 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.409 -2.941 -2.578 1.00 0.00 H new ATOM 1901 N ASN A 113 -14.691 -0.066 5.776 1.00 0.00 N ATOM 1902 CA ASN A 113 -15.442 0.832 6.649 1.00 0.00 C ATOM 1903 C ASN A 113 -14.526 1.894 7.246 1.00 0.00 C ATOM 1904 O ASN A 113 -14.861 2.519 8.255 1.00 0.00 O ATOM 1905 CB ASN A 113 -16.127 0.049 7.779 1.00 0.00 C ATOM 1906 CG ASN A 113 -17.268 -0.823 7.289 1.00 0.00 C ATOM 1907 OD1 ASN A 113 -17.924 -0.510 6.296 1.00 0.00 O ATOM 1908 ND2 ASN A 113 -17.517 -1.922 7.986 1.00 0.00 N ATOM 0 H ASN A 113 -14.336 -0.903 6.239 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.206 1.321 6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -15.388 -0.577 8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.506 0.751 8.522 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.275 -2.543 7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.950 -2.147 8.804 1.00 0.00 H new ATOM 1915 N TRP A 114 -13.372 2.098 6.622 1.00 0.00 N ATOM 1916 CA TRP A 114 -12.428 3.104 7.079 1.00 0.00 C ATOM 1917 C TRP A 114 -13.008 4.496 6.854 1.00 0.00 C ATOM 1918 O TRP A 114 -13.199 4.929 5.719 1.00 0.00 O ATOM 1919 CB TRP A 114 -11.083 2.953 6.361 1.00 0.00 C ATOM 1920 CG TRP A 114 -9.996 3.807 6.939 1.00 0.00 C ATOM 1921 CD1 TRP A 114 -9.537 3.786 8.224 1.00 0.00 C ATOM 1922 CD2 TRP A 114 -9.222 4.800 6.253 1.00 0.00 C ATOM 1923 NE1 TRP A 114 -8.535 4.712 8.384 1.00 0.00 N ATOM 1924 CE2 TRP A 114 -8.317 5.341 7.187 1.00 0.00 C ATOM 1925 CE3 TRP A 114 -9.202 5.281 4.942 1.00 0.00 C ATOM 1926 CZ2 TRP A 114 -7.410 6.344 6.852 1.00 0.00 C ATOM 1927 CZ3 TRP A 114 -8.300 6.275 4.610 1.00 0.00 C ATOM 1928 CH2 TRP A 114 -7.412 6.794 5.560 1.00 0.00 C ATOM 0 H TRP A 114 -13.070 1.579 5.798 1.00 0.00 H new ATOM 0 HA TRP A 114 -12.254 2.964 8.146 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -10.774 1.909 6.402 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -11.212 3.206 5.309 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -9.908 3.136 9.002 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -8.035 4.900 9.253 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -9.879 4.884 4.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.730 6.751 7.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -8.280 6.658 3.600 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -6.715 7.565 5.267 1.00 0.00 H new ATOM 1939 N ASN A 115 -13.312 5.176 7.949 1.00 0.00 N ATOM 1940 CA ASN A 115 -13.931 6.494 7.888 1.00 0.00 C ATOM 1941 C ASN A 115 -12.859 7.579 7.762 1.00 0.00 C ATOM 1942 O ASN A 115 -13.158 8.766 7.647 1.00 0.00 O ATOM 1943 CB ASN A 115 -14.777 6.719 9.148 1.00 0.00 C ATOM 1944 CG ASN A 115 -15.896 7.731 8.952 1.00 0.00 C ATOM 1945 OD1 ASN A 115 -15.792 8.662 8.158 1.00 0.00 O ATOM 1946 ND2 ASN A 115 -16.984 7.547 9.683 1.00 0.00 N ATOM 0 H ASN A 115 -13.140 4.836 8.895 1.00 0.00 H new ATOM 0 HA ASN A 115 -14.576 6.549 7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -15.208 5.768 9.462 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -14.129 7.057 9.956 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -17.771 8.190 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -17.035 6.762 10.333 1.00 0.00 H new ATOM 1953 N GLY A 116 -11.600 7.160 7.774 1.00 0.00 N ATOM 1954 CA GLY A 116 -10.507 8.103 7.655 1.00 0.00 C ATOM 1955 C GLY A 116 -9.923 8.483 8.998 1.00 0.00 C ATOM 1956 O GLY A 116 -8.983 9.272 9.073 1.00 0.00 O ATOM 0 H GLY A 116 -11.317 6.184 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.725 7.671 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.860 9.001 7.148 1.00 0.00 H new ATOM 1960 N THR A 117 -10.480 7.924 10.061 1.00 0.00 N ATOM 1961 CA THR A 117 -10.006 8.210 11.405 1.00 0.00 C ATOM 1962 C THR A 117 -8.789 7.354 11.746 1.00 0.00 C ATOM 1963 O THR A 117 -8.714 6.180 11.369 1.00 0.00 O ATOM 1964 CB THR A 117 -11.120 7.998 12.459 1.00 0.00 C ATOM 1965 OG1 THR A 117 -10.607 8.222 13.776 1.00 0.00 O ATOM 1966 CG2 THR A 117 -11.708 6.596 12.369 1.00 0.00 C ATOM 0 H THR A 117 -11.261 7.269 10.018 1.00 0.00 H new ATOM 0 HA THR A 117 -9.714 9.260 11.429 1.00 0.00 H new ATOM 0 HB THR A 117 -11.913 8.717 12.252 1.00 0.00 H new ATOM 0 HG1 THR A 117 -11.322 8.086 14.433 1.00 0.00 H new ATOM 0 HG21 THR A 117 -12.487 6.479 13.122 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.135 6.444 11.378 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.923 5.860 12.542 1.00 0.00 H new ATOM 1974 N PHE A 118 -7.836 7.950 12.452 1.00 0.00 N ATOM 1975 CA PHE A 118 -6.598 7.272 12.810 1.00 0.00 C ATOM 1976 C PHE A 118 -6.838 6.218 13.891 1.00 0.00 C ATOM 1977 O PHE A 118 -6.092 5.245 13.998 1.00 0.00 O ATOM 1978 CB PHE A 118 -5.559 8.294 13.276 1.00 0.00 C ATOM 1979 CG PHE A 118 -4.188 7.723 13.501 1.00 0.00 C ATOM 1980 CD1 PHE A 118 -3.373 7.407 12.425 1.00 0.00 C ATOM 1981 CD2 PHE A 118 -3.711 7.507 14.785 1.00 0.00 C ATOM 1982 CE1 PHE A 118 -2.111 6.886 12.625 1.00 0.00 C ATOM 1983 CE2 PHE A 118 -2.449 6.985 14.990 1.00 0.00 C ATOM 1984 CZ PHE A 118 -1.648 6.674 13.909 1.00 0.00 C ATOM 0 H PHE A 118 -7.899 8.910 12.790 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.219 6.759 11.926 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.491 9.090 12.534 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.906 8.751 14.203 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -3.730 7.570 11.419 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.333 7.750 15.634 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.486 6.644 11.778 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -2.089 6.820 15.995 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.661 6.266 14.067 1.00 0.00 H new ATOM 1994 N GLY A 119 -7.894 6.405 14.677 1.00 0.00 N ATOM 1995 CA GLY A 119 -8.233 5.441 15.713 1.00 0.00 C ATOM 1996 C GLY A 119 -8.580 4.079 15.140 1.00 0.00 C ATOM 1997 O GLY A 119 -8.416 3.051 15.801 1.00 0.00 O ATOM 0 H GLY A 119 -8.522 7.206 14.616 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.394 5.340 16.401 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.077 5.815 16.292 1.00 0.00 H new ATOM 2001 N LEU A 120 -9.047 4.078 13.896 1.00 0.00 N ATOM 2002 CA LEU A 120 -9.383 2.849 13.190 1.00 0.00 C ATOM 2003 C LEU A 120 -8.130 2.042 12.866 1.00 0.00 C ATOM 2004 O LEU A 120 -8.207 0.857 12.571 1.00 0.00 O ATOM 2005 CB LEU A 120 -10.136 3.170 11.897 1.00 0.00 C ATOM 2006 CG LEU A 120 -11.599 2.728 11.862 1.00 0.00 C ATOM 2007 CD1 LEU A 120 -12.270 3.224 10.595 1.00 0.00 C ATOM 2008 CD2 LEU A 120 -11.700 1.214 11.949 1.00 0.00 C ATOM 0 H LEU A 120 -9.202 4.926 13.351 1.00 0.00 H new ATOM 0 HA LEU A 120 -10.021 2.252 13.842 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -10.095 4.247 11.731 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.612 2.699 11.065 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.110 3.161 12.722 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.311 2.901 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.227 4.313 10.563 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -11.755 2.815 9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -12.748 0.917 11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -11.175 0.765 11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.249 0.872 12.881 1.00 0.00 H new ATOM 2020 N LEU A 121 -6.976 2.685 12.944 1.00 0.00 N ATOM 2021 CA LEU A 121 -5.715 2.025 12.632 1.00 0.00 C ATOM 2022 C LEU A 121 -5.236 1.206 13.822 1.00 0.00 C ATOM 2023 O LEU A 121 -4.280 0.437 13.720 1.00 0.00 O ATOM 2024 CB LEU A 121 -4.646 3.046 12.220 1.00 0.00 C ATOM 2025 CG LEU A 121 -4.743 3.571 10.778 1.00 0.00 C ATOM 2026 CD1 LEU A 121 -4.596 2.429 9.783 1.00 0.00 C ATOM 2027 CD2 LEU A 121 -6.050 4.311 10.543 1.00 0.00 C ATOM 0 H LEU A 121 -6.885 3.663 13.220 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.884 1.354 11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.701 3.896 12.900 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.665 2.591 12.356 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.926 4.277 10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.667 2.819 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.627 1.949 9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.389 1.699 9.947 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -6.086 4.669 9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.887 3.636 10.722 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -6.115 5.159 11.224 1.00 0.00 H new ATOM 2039 N ASN A 122 -5.909 1.377 14.950 1.00 0.00 N ATOM 2040 CA ASN A 122 -5.621 0.587 16.139 1.00 0.00 C ATOM 2041 C ASN A 122 -6.533 -0.629 16.182 1.00 0.00 C ATOM 2042 O ASN A 122 -6.263 -1.603 16.883 1.00 0.00 O ATOM 2043 CB ASN A 122 -5.807 1.422 17.410 1.00 0.00 C ATOM 2044 CG ASN A 122 -4.807 2.557 17.520 1.00 0.00 C ATOM 2045 OD1 ASN A 122 -3.687 2.469 17.020 1.00 0.00 O ATOM 2046 ND2 ASN A 122 -5.205 3.632 18.185 1.00 0.00 N ATOM 0 H ASN A 122 -6.660 2.057 15.068 1.00 0.00 H new ATOM 0 HA ASN A 122 -4.582 0.262 16.092 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.817 1.831 17.426 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.712 0.774 18.282 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.574 4.425 18.297 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.143 3.666 18.585 1.00 0.00 H new ATOM 2053 N THR A 123 -7.623 -0.561 15.431 1.00 0.00 N ATOM 2054 CA THR A 123 -8.570 -1.659 15.354 1.00 0.00 C ATOM 2055 C THR A 123 -8.308 -2.495 14.102 1.00 0.00 C ATOM 2056 O THR A 123 -8.498 -3.713 14.091 1.00 0.00 O ATOM 2057 CB THR A 123 -10.021 -1.133 15.343 1.00 0.00 C ATOM 2058 OG1 THR A 123 -10.221 -0.275 14.215 1.00 0.00 O ATOM 2059 CG2 THR A 123 -10.323 -0.348 16.611 1.00 0.00 C ATOM 0 H THR A 123 -7.872 0.249 14.864 1.00 0.00 H new ATOM 0 HA THR A 123 -8.437 -2.286 16.236 1.00 0.00 H new ATOM 0 HB THR A 123 -10.689 -1.992 15.285 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.352 -0.017 13.842 1.00 0.00 H new ATOM 0 HG21 THR A 123 -11.351 0.012 16.580 1.00 0.00 H new ATOM 0 HG22 THR A 123 -10.191 -0.994 17.479 1.00 0.00 H new ATOM 0 HG23 THR A 123 -9.643 0.501 16.684 1.00 0.00 H new ATOM 2067 N LEU A 124 -7.869 -1.817 13.049 1.00 0.00 N ATOM 2068 CA LEU A 124 -7.493 -2.462 11.802 1.00 0.00 C ATOM 2069 C LEU A 124 -6.185 -3.222 11.997 1.00 0.00 C ATOM 2070 O LEU A 124 -5.215 -2.672 12.516 1.00 0.00 O ATOM 2071 CB LEU A 124 -7.318 -1.398 10.714 1.00 0.00 C ATOM 2072 CG LEU A 124 -7.937 -1.710 9.350 1.00 0.00 C ATOM 2073 CD1 LEU A 124 -7.681 -0.556 8.398 1.00 0.00 C ATOM 2074 CD2 LEU A 124 -7.382 -3.006 8.776 1.00 0.00 C ATOM 0 H LEU A 124 -7.764 -0.802 13.038 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.273 -3.162 11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.746 -0.464 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.251 -1.226 10.573 1.00 0.00 H new ATOM 0 HG LEU A 124 -9.012 -1.839 9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.123 -0.780 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.129 0.353 8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.607 -0.411 8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -7.841 -3.201 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -6.302 -2.917 8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.605 -3.829 9.455 1.00 0.00 H new ATOM 2086 N ARG A 125 -6.160 -4.478 11.589 1.00 0.00 N ATOM 2087 CA ARG A 125 -4.966 -5.293 11.735 1.00 0.00 C ATOM 2088 C ARG A 125 -3.975 -5.022 10.606 1.00 0.00 C ATOM 2089 O ARG A 125 -4.091 -5.569 9.506 1.00 0.00 O ATOM 2090 CB ARG A 125 -5.340 -6.778 11.796 1.00 0.00 C ATOM 2091 CG ARG A 125 -4.160 -7.728 11.662 1.00 0.00 C ATOM 2092 CD ARG A 125 -4.589 -9.168 11.876 1.00 0.00 C ATOM 2093 NE ARG A 125 -3.766 -10.113 11.122 1.00 0.00 N ATOM 2094 CZ ARG A 125 -3.131 -11.150 11.661 1.00 0.00 C ATOM 2095 NH1 ARG A 125 -3.069 -11.286 12.981 1.00 0.00 N ATOM 2096 NH2 ARG A 125 -2.526 -12.030 10.875 1.00 0.00 N ATOM 0 H ARG A 125 -6.950 -4.955 11.155 1.00 0.00 H new ATOM 0 HA ARG A 125 -4.478 -5.023 12.672 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -5.844 -6.975 12.742 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -6.056 -6.993 11.003 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.714 -7.622 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.392 -7.463 12.388 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.532 -9.407 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.632 -9.281 11.579 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.673 -9.967 10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.510 -10.593 13.586 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.581 -12.083 13.389 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.549 -11.910 9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.038 -12.827 11.283 1.00 0.00 H new ATOM 2110 N LEU A 126 -3.030 -4.134 10.875 1.00 0.00 N ATOM 2111 CA LEU A 126 -1.914 -3.906 9.974 1.00 0.00 C ATOM 2112 C LEU A 126 -0.704 -4.680 10.473 1.00 0.00 C ATOM 2113 O LEU A 126 -0.358 -4.611 11.653 1.00 0.00 O ATOM 2114 CB LEU A 126 -1.581 -2.413 9.849 1.00 0.00 C ATOM 2115 CG LEU A 126 -2.477 -1.607 8.901 1.00 0.00 C ATOM 2116 CD1 LEU A 126 -3.857 -1.392 9.501 1.00 0.00 C ATOM 2117 CD2 LEU A 126 -1.827 -0.276 8.558 1.00 0.00 C ATOM 0 H LEU A 126 -3.016 -3.557 11.716 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.194 -4.257 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.636 -1.963 10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.549 -2.317 9.512 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.598 -2.180 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.470 -0.818 8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.327 -2.358 9.687 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.764 -0.846 10.440 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.476 0.283 7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.670 0.298 9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.868 -0.454 8.072 1.00 0.00 H new ATOM 2129 N ILE A 127 -0.078 -5.425 9.582 1.00 0.00 N ATOM 2130 CA ILE A 127 1.002 -6.323 9.954 1.00 0.00 C ATOM 2131 C ILE A 127 2.249 -6.056 9.124 1.00 0.00 C ATOM 2132 O ILE A 127 2.310 -5.092 8.360 1.00 0.00 O ATOM 2133 CB ILE A 127 0.583 -7.797 9.771 1.00 0.00 C ATOM 2134 CG1 ILE A 127 0.040 -8.018 8.353 1.00 0.00 C ATOM 2135 CG2 ILE A 127 -0.451 -8.193 10.818 1.00 0.00 C ATOM 2136 CD1 ILE A 127 -0.373 -9.444 8.067 1.00 0.00 C ATOM 0 H ILE A 127 -0.300 -5.426 8.587 1.00 0.00 H new ATOM 0 HA ILE A 127 1.225 -6.138 11.005 1.00 0.00 H new ATOM 0 HB ILE A 127 1.459 -8.431 9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.818 -7.364 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.802 -7.720 7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.735 -9.235 10.673 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -0.027 -8.067 11.814 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -1.332 -7.560 10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.745 -9.517 7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 127 0.487 -10.103 8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -1.159 -9.742 8.762 1.00 0.00 H new ATOM 2148 N ARG A 128 3.242 -6.913 9.280 1.00 0.00 N ATOM 2149 CA ARG A 128 4.461 -6.819 8.503 1.00 0.00 C ATOM 2150 C ARG A 128 4.379 -7.767 7.319 1.00 0.00 C ATOM 2151 O ARG A 128 4.166 -8.966 7.491 1.00 0.00 O ATOM 2152 CB ARG A 128 5.676 -7.167 9.371 1.00 0.00 C ATOM 2153 CG ARG A 128 5.868 -6.233 10.554 1.00 0.00 C ATOM 2154 CD ARG A 128 6.328 -4.855 10.111 1.00 0.00 C ATOM 2155 NE ARG A 128 7.719 -4.857 9.659 1.00 0.00 N ATOM 2156 CZ ARG A 128 8.664 -4.047 10.141 1.00 0.00 C ATOM 2157 NH1 ARG A 128 8.373 -3.171 11.095 1.00 0.00 N ATOM 2158 NH2 ARG A 128 9.899 -4.113 9.663 1.00 0.00 N ATOM 0 H ARG A 128 3.225 -7.687 9.944 1.00 0.00 H new ATOM 0 HA ARG A 128 4.576 -5.797 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.569 -8.188 9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.573 -7.144 8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.931 -6.145 11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.601 -6.659 11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.686 -4.501 9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.217 -4.153 10.938 1.00 0.00 H new ATOM 0 HE ARG A 128 7.984 -5.519 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 128 7.423 -3.115 11.463 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.099 -2.554 11.460 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.126 -4.782 8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.622 -3.494 10.031 1.00 0.00 H new ATOM 2172 N ILE A 129 4.510 -7.232 6.122 1.00 0.00 N ATOM 2173 CA ILE A 129 4.496 -8.057 4.930 1.00 0.00 C ATOM 2174 C ILE A 129 5.816 -7.926 4.183 1.00 0.00 C ATOM 2175 O ILE A 129 6.215 -6.829 3.786 1.00 0.00 O ATOM 2176 CB ILE A 129 3.311 -7.709 4.007 1.00 0.00 C ATOM 2177 CG1 ILE A 129 1.995 -7.896 4.768 1.00 0.00 C ATOM 2178 CG2 ILE A 129 3.337 -8.575 2.756 1.00 0.00 C ATOM 2179 CD1 ILE A 129 0.760 -7.696 3.920 1.00 0.00 C ATOM 0 H ILE A 129 4.627 -6.234 5.948 1.00 0.00 H new ATOM 0 HA ILE A 129 4.369 -9.093 5.244 1.00 0.00 H new ATOM 0 HB ILE A 129 3.395 -6.668 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 129 1.973 -8.899 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 129 1.967 -7.196 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.493 -8.316 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 129 4.268 -8.405 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 129 3.268 -9.625 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -0.130 -7.846 4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.756 -6.684 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 129 0.762 -8.414 3.100 1.00 0.00 H new ATOM 2191 N ASN A 130 6.488 -9.050 4.008 1.00 0.00 N ATOM 2192 CA ASN A 130 7.837 -9.071 3.460 1.00 0.00 C ATOM 2193 C ASN A 130 7.832 -9.231 1.952 1.00 0.00 C ATOM 2194 O ASN A 130 7.079 -10.041 1.407 1.00 0.00 O ATOM 2195 CB ASN A 130 8.648 -10.204 4.096 1.00 0.00 C ATOM 2196 CG ASN A 130 10.013 -10.379 3.462 1.00 0.00 C ATOM 2197 OD1 ASN A 130 10.178 -11.157 2.526 1.00 0.00 O ATOM 2198 ND2 ASN A 130 10.998 -9.656 3.964 1.00 0.00 N ATOM 0 H ASN A 130 6.118 -9.972 4.240 1.00 0.00 H new ATOM 0 HA ASN A 130 8.299 -8.112 3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 130 8.770 -10.004 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.090 -11.136 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.937 -9.733 3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.819 -9.021 4.742 1.00 0.00 H new ATOM 2205 N ASP A 131 8.679 -8.435 1.301 1.00 0.00 N ATOM 2206 CA ASP A 131 8.925 -8.522 -0.136 1.00 0.00 C ATOM 2207 C ASP A 131 7.621 -8.464 -0.936 1.00 0.00 C ATOM 2208 O ASP A 131 7.075 -7.388 -1.161 1.00 0.00 O ATOM 2209 CB ASP A 131 9.735 -9.788 -0.461 1.00 0.00 C ATOM 2210 CG ASP A 131 10.269 -9.813 -1.882 1.00 0.00 C ATOM 2211 OD1 ASP A 131 11.257 -9.105 -2.165 1.00 0.00 O ATOM 2212 OD2 ASP A 131 9.722 -10.562 -2.716 1.00 0.00 O ATOM 0 H ASP A 131 9.219 -7.703 1.763 1.00 0.00 H new ATOM 0 HA ASP A 131 9.514 -7.655 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 131 10.571 -9.865 0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 131 9.106 -10.664 -0.301 1.00 0.00 H new ATOM 2217 N LYS A 132 7.090 -9.612 -1.324 1.00 0.00 N ATOM 2218 CA LYS A 132 5.905 -9.640 -2.155 1.00 0.00 C ATOM 2219 C LYS A 132 4.822 -10.511 -1.536 1.00 0.00 C ATOM 2220 O LYS A 132 4.663 -11.676 -1.900 1.00 0.00 O ATOM 2221 CB LYS A 132 6.249 -10.143 -3.560 1.00 0.00 C ATOM 2222 CG LYS A 132 7.301 -9.313 -4.278 1.00 0.00 C ATOM 2223 CD LYS A 132 7.643 -9.916 -5.631 1.00 0.00 C ATOM 2224 CE LYS A 132 8.896 -9.302 -6.232 1.00 0.00 C ATOM 2225 NZ LYS A 132 8.724 -7.864 -6.568 1.00 0.00 N ATOM 0 H LYS A 132 7.460 -10.530 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 132 5.522 -8.622 -2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 132 6.600 -11.172 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 132 5.340 -10.157 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 132 6.936 -8.295 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.201 -9.252 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 132 7.783 -10.991 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 132 6.806 -9.771 -6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.722 -9.411 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 132 9.169 -9.852 -7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 9.456 -7.577 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 7.784 -7.716 -6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 8.812 -7.293 -5.703 1.00 0.00 H new ATOM 2239 N GLY A 133 4.104 -9.939 -0.579 1.00 0.00 N ATOM 2240 CA GLY A 133 2.936 -10.594 -0.021 1.00 0.00 C ATOM 2241 C GLY A 133 3.267 -11.742 0.913 1.00 0.00 C ATOM 2242 O GLY A 133 2.433 -12.617 1.138 1.00 0.00 O ATOM 0 H GLY A 133 4.312 -9.025 -0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.341 -9.858 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.316 -10.968 -0.836 1.00 0.00 H new ATOM 2246 N GLU A 134 4.470 -11.740 1.470 1.00 0.00 N ATOM 2247 CA GLU A 134 4.877 -12.808 2.368 1.00 0.00 C ATOM 2248 C GLU A 134 4.624 -12.406 3.819 1.00 0.00 C ATOM 2249 O GLU A 134 4.968 -11.300 4.240 1.00 0.00 O ATOM 2250 CB GLU A 134 6.346 -13.165 2.145 1.00 0.00 C ATOM 2251 CG GLU A 134 6.761 -14.463 2.815 1.00 0.00 C ATOM 2252 CD GLU A 134 8.088 -14.977 2.306 1.00 0.00 C ATOM 2253 OE1 GLU A 134 8.139 -15.452 1.149 1.00 0.00 O ATOM 2254 OE2 GLU A 134 9.085 -14.918 3.056 1.00 0.00 O ATOM 0 H GLU A 134 5.174 -11.018 1.317 1.00 0.00 H new ATOM 0 HA GLU A 134 4.280 -13.694 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 134 6.535 -13.241 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 134 6.970 -12.355 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 134 6.824 -14.309 3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 134 5.993 -15.218 2.645 1.00 0.00 H new ATOM 2261 N GLN A 135 4.007 -13.310 4.565 1.00 0.00 N ATOM 2262 CA GLN A 135 3.595 -13.047 5.941 1.00 0.00 C ATOM 2263 C GLN A 135 4.791 -12.874 6.881 1.00 0.00 C ATOM 2264 O GLN A 135 5.722 -13.681 6.874 1.00 0.00 O ATOM 2265 CB GLN A 135 2.713 -14.198 6.432 1.00 0.00 C ATOM 2266 CG GLN A 135 2.227 -14.041 7.863 1.00 0.00 C ATOM 2267 CD GLN A 135 1.341 -12.827 8.045 1.00 0.00 C ATOM 2268 OE1 GLN A 135 0.629 -12.420 7.129 1.00 0.00 O ATOM 2269 NE2 GLN A 135 1.388 -12.234 9.227 1.00 0.00 N ATOM 0 H GLN A 135 3.777 -14.248 4.236 1.00 0.00 H new ATOM 0 HA GLN A 135 3.038 -12.110 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 135 1.849 -14.285 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.272 -15.130 6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.677 -14.935 8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 135 3.087 -13.962 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.993 -12.605 9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.819 -11.406 9.405 1.00 0.00 H new ATOM 2278 N VAL A 136 4.758 -11.807 7.680 1.00 0.00 N ATOM 2279 CA VAL A 136 5.735 -11.608 8.744 1.00 0.00 C ATOM 2280 C VAL A 136 5.025 -11.394 10.075 1.00 0.00 C ATOM 2281 O VAL A 136 4.501 -10.311 10.343 1.00 0.00 O ATOM 2282 CB VAL A 136 6.655 -10.390 8.497 1.00 0.00 C ATOM 2283 CG1 VAL A 136 7.784 -10.356 9.515 1.00 0.00 C ATOM 2284 CG2 VAL A 136 7.207 -10.387 7.085 1.00 0.00 C ATOM 0 H VAL A 136 4.061 -11.066 7.608 1.00 0.00 H new ATOM 0 HA VAL A 136 6.350 -12.508 8.762 1.00 0.00 H new ATOM 0 HB VAL A 136 6.052 -9.490 8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.420 -9.492 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.366 -10.284 10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.376 -11.267 9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.849 -9.517 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 136 7.786 -11.295 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.383 -10.346 6.372 1.00 0.00 H new ATOM 2294 N VAL A 137 4.976 -12.432 10.889 1.00 0.00 N ATOM 2295 CA VAL A 137 4.457 -12.308 12.238 1.00 0.00 C ATOM 2296 C VAL A 137 5.584 -11.886 13.166 1.00 0.00 C ATOM 2297 O VAL A 137 5.453 -10.935 13.941 1.00 0.00 O ATOM 2298 CB VAL A 137 3.830 -13.629 12.741 1.00 0.00 C ATOM 2299 CG1 VAL A 137 3.250 -13.454 14.135 1.00 0.00 C ATOM 2300 CG2 VAL A 137 2.758 -14.115 11.778 1.00 0.00 C ATOM 0 H VAL A 137 5.289 -13.370 10.640 1.00 0.00 H new ATOM 0 HA VAL A 137 3.668 -11.556 12.231 1.00 0.00 H new ATOM 0 HB VAL A 137 4.618 -14.381 12.789 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.814 -14.396 14.469 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.041 -13.156 14.823 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.478 -12.685 14.114 1.00 0.00 H new ATOM 0 HG21 VAL A 137 2.329 -15.046 12.150 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.974 -13.362 11.696 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.201 -14.286 10.797 1.00 0.00 H new