USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=18 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 33 SER OG : rot -75:sc= 1.39 USER MOD Set 1.2: A 35 THR OG1 : rot 98:sc= 0.153 USER MOD Single : A 19 HIS : no HE2:sc= 0.359 K(o=0.36,f=-5.8!) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.806) USER MOD Single : A 27 MET CE :methyl 151:sc= -0.206 (180deg=-0.891) USER MOD Single : A 28 GLN : amide:sc= -1.03 K(o=-1,f=-2.7!) USER MOD Single : A 32 ASN : amide:sc=-0.00433 K(o=-0.0043,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= -0.0287 (180deg=-0.214) USER MOD Single : A 39 GLN : amide:sc= -0.819 K(o=-0.82,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0.97 K(o=0.97,f=-5.5!) USER MOD Single : A 46 HIS : no HE2:sc= 1.31 K(o=1.3,f=-4.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 52 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.6) USER MOD Single : A 53 SER OG : rot -27:sc= 1.14 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 X(o=0,f=-0.37) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 140:sc= 1.18 (180deg=0.186) USER MOD Single : A 99 CYS SG : rot 180:sc= -1.54! USER MOD Single : A 103 SER OG : rot 47:sc= 1.24 USER MOD Single : A 106 LYS NZ :NH3+ -171:sc= -0.0334 (180deg=-0.242) USER MOD Single : A 107 ASN : amide:sc= -3.52! C(o=-3.5!,f=-3.2!) USER MOD Single : A 108 MET CE :methyl -169:sc=-0.00961 (180deg=-0.173) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 115 ASN : amide:sc= -0.692 K(o=-0.69,f=-3.1!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 123 THR OG1 : rot 1:sc= 0.141 USER MOD Single : A 130 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -1.55! C(o=-1.6!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 308 N VAL A 18 -0.005 10.887 5.592 1.00 0.00 N ATOM 309 CA VAL A 18 -1.197 10.254 5.041 1.00 0.00 C ATOM 310 C VAL A 18 -0.818 9.180 4.021 1.00 0.00 C ATOM 311 O VAL A 18 -1.598 8.275 3.750 1.00 0.00 O ATOM 312 CB VAL A 18 -2.132 11.295 4.378 1.00 0.00 C ATOM 313 CG1 VAL A 18 -3.359 10.637 3.763 1.00 0.00 C ATOM 314 CG2 VAL A 18 -2.556 12.341 5.390 1.00 0.00 C ATOM 0 HA VAL A 18 -1.730 9.787 5.869 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.573 11.776 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.991 11.399 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.046 9.923 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.920 10.117 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.213 13.066 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.086 11.859 6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.674 12.851 5.777 1.00 0.00 H new ATOM 324 N HIS A 19 0.402 9.272 3.492 1.00 0.00 N ATOM 325 CA HIS A 19 0.903 8.332 2.481 1.00 0.00 C ATOM 326 C HIS A 19 0.690 6.879 2.906 1.00 0.00 C ATOM 327 O HIS A 19 0.427 6.012 2.074 1.00 0.00 O ATOM 328 CB HIS A 19 2.395 8.588 2.232 1.00 0.00 C ATOM 329 CG HIS A 19 3.020 7.710 1.185 1.00 0.00 C ATOM 330 ND1 HIS A 19 3.803 6.619 1.488 1.00 0.00 N ATOM 331 CD2 HIS A 19 3.003 7.790 -0.167 1.00 0.00 C ATOM 332 CE1 HIS A 19 4.244 6.069 0.372 1.00 0.00 C ATOM 333 NE2 HIS A 19 3.774 6.761 -0.650 1.00 0.00 N ATOM 0 H HIS A 19 1.072 9.997 3.749 1.00 0.00 H new ATOM 0 HA HIS A 19 0.341 8.496 1.562 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.526 9.629 1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.934 8.451 3.170 1.00 0.00 H new ATOM 0 HD1 HIS A 19 4.010 6.287 2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.479 8.528 -0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.882 5.200 0.306 1.00 0.00 H new ATOM 342 N GLU A 20 0.792 6.625 4.202 1.00 0.00 N ATOM 343 CA GLU A 20 0.666 5.275 4.723 1.00 0.00 C ATOM 344 C GLU A 20 -0.798 4.863 4.852 1.00 0.00 C ATOM 345 O GLU A 20 -1.178 3.765 4.445 1.00 0.00 O ATOM 346 CB GLU A 20 1.378 5.167 6.071 1.00 0.00 C ATOM 347 CG GLU A 20 2.828 5.620 6.013 1.00 0.00 C ATOM 348 CD GLU A 20 3.551 5.075 4.798 1.00 0.00 C ATOM 349 OE1 GLU A 20 3.590 3.843 4.630 1.00 0.00 O ATOM 350 OE2 GLU A 20 4.057 5.880 3.986 1.00 0.00 O ATOM 0 H GLU A 20 0.962 7.338 4.912 1.00 0.00 H new ATOM 0 HA GLU A 20 1.138 4.591 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.844 5.768 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.339 4.133 6.415 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.866 6.709 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.344 5.296 6.916 1.00 0.00 H new ATOM 357 N LEU A 21 -1.626 5.749 5.392 1.00 0.00 N ATOM 358 CA LEU A 21 -3.046 5.452 5.558 1.00 0.00 C ATOM 359 C LEU A 21 -3.743 5.455 4.200 1.00 0.00 C ATOM 360 O LEU A 21 -4.694 4.709 3.977 1.00 0.00 O ATOM 361 CB LEU A 21 -3.731 6.449 6.505 1.00 0.00 C ATOM 362 CG LEU A 21 -3.254 6.431 7.966 1.00 0.00 C ATOM 363 CD1 LEU A 21 -1.894 7.101 8.115 1.00 0.00 C ATOM 364 CD2 LEU A 21 -4.280 7.106 8.864 1.00 0.00 C ATOM 0 H LEU A 21 -1.343 6.672 5.721 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.127 4.462 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.585 7.454 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.803 6.254 6.492 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.147 5.390 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.586 7.071 9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.160 6.574 7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.961 8.138 7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.929 7.086 9.896 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.417 8.140 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.230 6.576 8.793 1.00 0.00 H new ATOM 376 N ALA A 22 -3.252 6.291 3.290 1.00 0.00 N ATOM 377 CA ALA A 22 -3.768 6.342 1.926 1.00 0.00 C ATOM 378 C ALA A 22 -3.494 5.034 1.193 1.00 0.00 C ATOM 379 O ALA A 22 -4.207 4.678 0.259 1.00 0.00 O ATOM 380 CB ALA A 22 -3.161 7.512 1.164 1.00 0.00 C ATOM 0 H ALA A 22 -2.492 6.946 3.474 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.847 6.486 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.559 7.531 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.411 8.445 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.078 7.399 1.126 1.00 0.00 H new ATOM 386 N ARG A 23 -2.460 4.318 1.628 1.00 0.00 N ATOM 387 CA ARG A 23 -2.145 3.014 1.058 1.00 0.00 C ATOM 388 C ARG A 23 -3.277 2.043 1.393 1.00 0.00 C ATOM 389 O ARG A 23 -3.742 1.280 0.539 1.00 0.00 O ATOM 390 CB ARG A 23 -0.806 2.495 1.604 1.00 0.00 C ATOM 391 CG ARG A 23 0.016 1.732 0.578 1.00 0.00 C ATOM 392 CD ARG A 23 1.283 1.130 1.179 1.00 0.00 C ATOM 393 NE ARG A 23 2.147 2.123 1.831 1.00 0.00 N ATOM 394 CZ ARG A 23 3.350 2.493 1.373 1.00 0.00 C ATOM 395 NH1 ARG A 23 3.783 2.075 0.191 1.00 0.00 N ATOM 396 NH2 ARG A 23 4.122 3.289 2.098 1.00 0.00 N ATOM 0 H ARG A 23 -1.829 4.619 2.371 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.050 3.102 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.221 3.339 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.999 1.846 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.592 0.936 0.148 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.287 2.402 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.005 0.368 1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.847 0.629 0.392 1.00 0.00 H new ATOM 0 HE ARG A 23 1.809 2.559 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.198 1.465 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.701 2.364 -0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.801 3.621 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.038 3.569 1.747 1.00 0.00 H new ATOM 410 N VAL A 24 -3.734 2.107 2.641 1.00 0.00 N ATOM 411 CA VAL A 24 -4.886 1.331 3.088 1.00 0.00 C ATOM 412 C VAL A 24 -6.162 1.856 2.434 1.00 0.00 C ATOM 413 O VAL A 24 -7.052 1.086 2.072 1.00 0.00 O ATOM 414 CB VAL A 24 -5.038 1.382 4.631 1.00 0.00 C ATOM 415 CG1 VAL A 24 -6.294 0.651 5.091 1.00 0.00 C ATOM 416 CG2 VAL A 24 -3.810 0.795 5.307 1.00 0.00 C ATOM 0 H VAL A 24 -3.320 2.694 3.365 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.722 0.295 2.792 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.134 2.429 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.370 0.706 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.171 1.117 4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.240 -0.393 4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.934 0.839 6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.686 -0.243 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.928 1.367 5.019 1.00 0.00 H new ATOM 426 N LYS A 25 -6.236 3.174 2.271 1.00 0.00 N ATOM 427 CA LYS A 25 -7.393 3.808 1.651 1.00 0.00 C ATOM 428 C LYS A 25 -7.560 3.337 0.211 1.00 0.00 C ATOM 429 O LYS A 25 -8.676 3.091 -0.235 1.00 0.00 O ATOM 430 CB LYS A 25 -7.261 5.330 1.677 1.00 0.00 C ATOM 431 CG LYS A 25 -8.565 6.053 1.372 1.00 0.00 C ATOM 432 CD LYS A 25 -8.350 7.541 1.157 1.00 0.00 C ATOM 433 CE LYS A 25 -7.746 7.826 -0.209 1.00 0.00 C ATOM 434 NZ LYS A 25 -8.687 7.489 -1.313 1.00 0.00 N ATOM 0 H LYS A 25 -5.506 3.824 2.561 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.274 3.520 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.903 5.640 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.507 5.635 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.021 5.620 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.265 5.902 2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.301 8.064 1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.693 7.931 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.474 8.879 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.827 7.251 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.373 7.951 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.704 6.458 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.642 7.822 -1.069 1.00 0.00 H new ATOM 448 N PHE A 26 -6.450 3.221 -0.514 1.00 0.00 N ATOM 449 CA PHE A 26 -6.501 2.734 -1.885 1.00 0.00 C ATOM 450 C PHE A 26 -7.026 1.304 -1.911 1.00 0.00 C ATOM 451 O PHE A 26 -7.837 0.955 -2.767 1.00 0.00 O ATOM 452 CB PHE A 26 -5.133 2.812 -2.570 1.00 0.00 C ATOM 453 CG PHE A 26 -5.164 2.315 -3.991 1.00 0.00 C ATOM 454 CD1 PHE A 26 -5.918 2.970 -4.953 1.00 0.00 C ATOM 455 CD2 PHE A 26 -4.456 1.182 -4.359 1.00 0.00 C ATOM 456 CE1 PHE A 26 -5.968 2.503 -6.253 1.00 0.00 C ATOM 457 CE2 PHE A 26 -4.497 0.714 -5.658 1.00 0.00 C ATOM 458 CZ PHE A 26 -5.255 1.372 -6.607 1.00 0.00 C ATOM 0 H PHE A 26 -5.516 3.455 -0.178 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.181 3.379 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.784 3.845 -2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.412 2.226 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.473 3.856 -4.683 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.865 0.659 -3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.563 3.020 -6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.936 -0.167 -5.932 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.291 1.005 -7.622 1.00 0.00 H new ATOM 468 N MET A 27 -6.568 0.486 -0.964 1.00 0.00 N ATOM 469 CA MET A 27 -7.119 -0.857 -0.791 1.00 0.00 C ATOM 470 C MET A 27 -8.632 -0.780 -0.648 1.00 0.00 C ATOM 471 O MET A 27 -9.368 -1.499 -1.323 1.00 0.00 O ATOM 472 CB MET A 27 -6.529 -1.539 0.446 1.00 0.00 C ATOM 473 CG MET A 27 -5.081 -1.969 0.297 1.00 0.00 C ATOM 474 SD MET A 27 -4.445 -2.730 1.802 1.00 0.00 S ATOM 475 CE MET A 27 -2.844 -3.308 1.253 1.00 0.00 C ATOM 0 H MET A 27 -5.823 0.727 -0.310 1.00 0.00 H new ATOM 0 HA MET A 27 -6.859 -1.445 -1.671 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.607 -0.857 1.293 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.132 -2.415 0.685 1.00 0.00 H new ATOM 0 HG2 MET A 27 -4.995 -2.674 -0.530 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.470 -1.103 0.042 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.153 -3.320 2.096 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.940 -4.316 0.848 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.462 -2.641 0.480 1.00 0.00 H new ATOM 485 N GLN A 28 -9.080 0.117 0.227 1.00 0.00 N ATOM 486 CA GLN A 28 -10.500 0.337 0.469 1.00 0.00 C ATOM 487 C GLN A 28 -11.228 0.686 -0.823 1.00 0.00 C ATOM 488 O GLN A 28 -12.207 0.036 -1.184 1.00 0.00 O ATOM 489 CB GLN A 28 -10.693 1.471 1.474 1.00 0.00 C ATOM 490 CG GLN A 28 -12.144 1.715 1.848 1.00 0.00 C ATOM 491 CD GLN A 28 -12.369 3.084 2.451 1.00 0.00 C ATOM 492 OE1 GLN A 28 -11.469 3.674 3.047 1.00 0.00 O ATOM 493 NE2 GLN A 28 -13.578 3.598 2.307 1.00 0.00 N ATOM 0 H GLN A 28 -8.468 0.710 0.787 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.917 -0.587 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.127 1.244 2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.275 2.388 1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.767 1.607 0.960 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.465 0.953 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.297 3.077 1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.792 4.516 2.697 1.00 0.00 H new ATOM 502 N ASP A 29 -10.734 1.712 -1.512 1.00 0.00 N ATOM 503 CA ASP A 29 -11.357 2.190 -2.744 1.00 0.00 C ATOM 504 C ASP A 29 -11.517 1.054 -3.748 1.00 0.00 C ATOM 505 O ASP A 29 -12.577 0.894 -4.351 1.00 0.00 O ATOM 506 CB ASP A 29 -10.538 3.326 -3.376 1.00 0.00 C ATOM 507 CG ASP A 29 -10.546 4.602 -2.552 1.00 0.00 C ATOM 508 OD1 ASP A 29 -11.643 5.107 -2.234 1.00 0.00 O ATOM 509 OD2 ASP A 29 -9.451 5.112 -2.220 1.00 0.00 O ATOM 0 H ASP A 29 -9.900 2.231 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.343 2.574 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.508 2.993 -3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.933 3.540 -4.369 1.00 0.00 H new ATOM 514 N VAL A 30 -10.469 0.254 -3.898 1.00 0.00 N ATOM 515 CA VAL A 30 -10.467 -0.855 -4.846 1.00 0.00 C ATOM 516 C VAL A 30 -11.575 -1.871 -4.546 1.00 0.00 C ATOM 517 O VAL A 30 -12.339 -2.244 -5.438 1.00 0.00 O ATOM 518 CB VAL A 30 -9.097 -1.572 -4.855 1.00 0.00 C ATOM 519 CG1 VAL A 30 -9.144 -2.845 -5.682 1.00 0.00 C ATOM 520 CG2 VAL A 30 -8.017 -0.645 -5.387 1.00 0.00 C ATOM 0 H VAL A 30 -9.602 0.353 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.657 -0.426 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.859 -1.845 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.165 -3.325 -5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.887 -3.524 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.414 -2.602 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.059 -1.165 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.266 -0.343 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.951 0.238 -4.752 1.00 0.00 H new ATOM 530 N VAL A 31 -11.677 -2.292 -3.290 1.00 0.00 N ATOM 531 CA VAL A 31 -12.607 -3.359 -2.918 1.00 0.00 C ATOM 532 C VAL A 31 -13.980 -2.826 -2.509 1.00 0.00 C ATOM 533 O VAL A 31 -14.858 -3.595 -2.104 1.00 0.00 O ATOM 534 CB VAL A 31 -12.045 -4.229 -1.774 1.00 0.00 C ATOM 535 CG1 VAL A 31 -10.838 -5.020 -2.246 1.00 0.00 C ATOM 536 CG2 VAL A 31 -11.680 -3.373 -0.574 1.00 0.00 C ATOM 0 H VAL A 31 -11.132 -1.915 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.727 -3.969 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.822 -4.931 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.457 -5.627 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.129 -5.669 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.061 -4.333 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.286 -4.008 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.924 -2.643 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.568 -2.852 -0.215 1.00 0.00 H new ATOM 546 N ASN A 32 -14.173 -1.519 -2.593 1.00 0.00 N ATOM 547 CA ASN A 32 -15.469 -0.936 -2.267 1.00 0.00 C ATOM 548 C ASN A 32 -16.157 -0.411 -3.522 1.00 0.00 C ATOM 549 O ASN A 32 -17.382 -0.304 -3.570 1.00 0.00 O ATOM 550 CB ASN A 32 -15.326 0.181 -1.231 1.00 0.00 C ATOM 551 CG ASN A 32 -16.669 0.622 -0.673 1.00 0.00 C ATOM 552 OD1 ASN A 32 -17.624 -0.156 -0.625 1.00 0.00 O ATOM 553 ND2 ASN A 32 -16.752 1.868 -0.241 1.00 0.00 N ATOM 0 H ASN A 32 -13.461 -0.848 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.088 -1.723 -1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.690 -0.162 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.826 1.035 -1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.628 2.215 0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.940 2.482 -0.297 1.00 0.00 H new ATOM 560 N SER A 33 -15.372 -0.101 -4.543 1.00 0.00 N ATOM 561 CA SER A 33 -15.926 0.343 -5.809 1.00 0.00 C ATOM 562 C SER A 33 -16.096 -0.859 -6.723 1.00 0.00 C ATOM 563 O SER A 33 -15.625 -1.948 -6.403 1.00 0.00 O ATOM 564 CB SER A 33 -15.015 1.385 -6.461 1.00 0.00 C ATOM 565 OG SER A 33 -13.725 0.852 -6.704 1.00 0.00 O ATOM 0 H SER A 33 -14.353 -0.149 -4.518 1.00 0.00 H new ATOM 0 HA SER A 33 -16.896 0.809 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.456 1.722 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.935 2.259 -5.814 1.00 0.00 H new ATOM 0 HG SER A 33 -13.228 0.801 -5.861 1.00 0.00 H new ATOM 571 N ASP A 34 -16.742 -0.668 -7.864 1.00 0.00 N ATOM 572 CA ASP A 34 -17.001 -1.780 -8.775 1.00 0.00 C ATOM 573 C ASP A 34 -15.733 -2.160 -9.543 1.00 0.00 C ATOM 574 O ASP A 34 -15.730 -3.109 -10.326 1.00 0.00 O ATOM 575 CB ASP A 34 -18.138 -1.430 -9.738 1.00 0.00 C ATOM 576 CG ASP A 34 -18.664 -2.639 -10.490 1.00 0.00 C ATOM 577 OD1 ASP A 34 -19.259 -3.537 -9.849 1.00 0.00 O ATOM 578 OD2 ASP A 34 -18.512 -2.686 -11.726 1.00 0.00 O ATOM 0 H ASP A 34 -17.094 0.235 -8.181 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.307 -2.643 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.954 -0.972 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.786 -0.687 -10.454 1.00 0.00 H new ATOM 583 N THR A 35 -14.651 -1.422 -9.294 1.00 0.00 N ATOM 584 CA THR A 35 -13.352 -1.726 -9.881 1.00 0.00 C ATOM 585 C THR A 35 -12.951 -3.168 -9.564 1.00 0.00 C ATOM 586 O THR A 35 -12.585 -3.936 -10.456 1.00 0.00 O ATOM 587 CB THR A 35 -12.275 -0.749 -9.352 1.00 0.00 C ATOM 588 OG1 THR A 35 -12.688 0.601 -9.603 1.00 0.00 O ATOM 589 CG2 THR A 35 -10.923 -0.993 -10.010 1.00 0.00 C ATOM 0 H THR A 35 -14.652 -0.604 -8.685 1.00 0.00 H new ATOM 0 HA THR A 35 -13.428 -1.610 -10.962 1.00 0.00 H new ATOM 0 HB THR A 35 -12.166 -0.918 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.092 0.976 -8.792 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.193 -0.288 -9.613 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.595 -2.011 -9.801 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.012 -0.855 -11.087 1.00 0.00 H new ATOM 597 N PHE A 36 -13.049 -3.537 -8.293 1.00 0.00 N ATOM 598 CA PHE A 36 -12.792 -4.908 -7.872 1.00 0.00 C ATOM 599 C PHE A 36 -13.852 -5.382 -6.886 1.00 0.00 C ATOM 600 O PHE A 36 -13.606 -6.280 -6.089 1.00 0.00 O ATOM 601 CB PHE A 36 -11.397 -5.042 -7.252 1.00 0.00 C ATOM 602 CG PHE A 36 -10.298 -5.212 -8.267 1.00 0.00 C ATOM 603 CD1 PHE A 36 -9.659 -4.113 -8.816 1.00 0.00 C ATOM 604 CD2 PHE A 36 -9.908 -6.479 -8.671 1.00 0.00 C ATOM 605 CE1 PHE A 36 -8.651 -4.272 -9.747 1.00 0.00 C ATOM 606 CE2 PHE A 36 -8.901 -6.643 -9.604 1.00 0.00 C ATOM 607 CZ PHE A 36 -8.272 -5.539 -10.142 1.00 0.00 C ATOM 0 H PHE A 36 -13.305 -2.905 -7.535 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.836 -5.539 -8.760 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.190 -4.157 -6.650 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.390 -5.897 -6.575 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.952 -3.119 -8.512 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.396 -7.347 -8.253 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.160 -3.406 -10.165 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.607 -7.635 -9.912 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.485 -5.666 -10.871 1.00 0.00 H new ATOM 617 N LYS A 37 -15.040 -4.789 -6.973 1.00 0.00 N ATOM 618 CA LYS A 37 -16.181 -5.184 -6.141 1.00 0.00 C ATOM 619 C LYS A 37 -16.462 -6.685 -6.260 1.00 0.00 C ATOM 620 O LYS A 37 -16.942 -7.314 -5.315 1.00 0.00 O ATOM 621 CB LYS A 37 -17.419 -4.391 -6.565 1.00 0.00 C ATOM 622 CG LYS A 37 -18.628 -4.578 -5.663 1.00 0.00 C ATOM 623 CD LYS A 37 -19.807 -3.759 -6.163 1.00 0.00 C ATOM 624 CE LYS A 37 -21.016 -3.881 -5.251 1.00 0.00 C ATOM 625 NZ LYS A 37 -20.739 -3.380 -3.878 1.00 0.00 N ATOM 0 H LYS A 37 -15.242 -4.025 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.939 -4.967 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.164 -3.332 -6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.691 -4.681 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.901 -5.633 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.378 -4.279 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.514 -2.712 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.076 -4.087 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.849 -3.322 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.326 -4.925 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.633 -3.292 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.112 -4.048 -3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.278 -2.450 -3.934 1.00 0.00 H new ATOM 639 N GLY A 38 -16.158 -7.245 -7.427 1.00 0.00 N ATOM 640 CA GLY A 38 -16.366 -8.662 -7.654 1.00 0.00 C ATOM 641 C GLY A 38 -15.466 -9.530 -6.795 1.00 0.00 C ATOM 642 O GLY A 38 -15.833 -10.646 -6.433 1.00 0.00 O ATOM 0 H GLY A 38 -15.769 -6.739 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.407 -8.910 -7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -16.186 -8.888 -8.705 1.00 0.00 H new ATOM 646 N GLN A 39 -14.274 -9.030 -6.494 1.00 0.00 N ATOM 647 CA GLN A 39 -13.350 -9.734 -5.617 1.00 0.00 C ATOM 648 C GLN A 39 -13.095 -8.905 -4.357 1.00 0.00 C ATOM 649 O GLN A 39 -12.213 -8.049 -4.336 1.00 0.00 O ATOM 650 CB GLN A 39 -12.038 -10.036 -6.351 1.00 0.00 C ATOM 651 CG GLN A 39 -11.012 -10.769 -5.499 1.00 0.00 C ATOM 652 CD GLN A 39 -9.779 -11.183 -6.282 1.00 0.00 C ATOM 653 OE1 GLN A 39 -9.134 -12.180 -5.960 1.00 0.00 O ATOM 654 NE2 GLN A 39 -9.443 -10.426 -7.314 1.00 0.00 N ATOM 0 H GLN A 39 -13.925 -8.138 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.794 -10.684 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.257 -10.635 -7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.604 -9.099 -6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.711 -10.128 -4.670 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.475 -11.655 -5.065 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.003 -9.607 -7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.624 -10.662 -7.874 1.00 0.00 H new ATOM 663 N PRO A 40 -13.872 -9.152 -3.291 1.00 0.00 N ATOM 664 CA PRO A 40 -13.783 -8.369 -2.055 1.00 0.00 C ATOM 665 C PRO A 40 -12.574 -8.738 -1.201 1.00 0.00 C ATOM 666 O PRO A 40 -12.120 -7.945 -0.374 1.00 0.00 O ATOM 667 CB PRO A 40 -15.082 -8.719 -1.329 1.00 0.00 C ATOM 668 CG PRO A 40 -15.428 -10.091 -1.802 1.00 0.00 C ATOM 669 CD PRO A 40 -14.910 -10.198 -3.213 1.00 0.00 C ATOM 0 HA PRO A 40 -13.658 -7.305 -2.258 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.949 -8.696 -0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.872 -8.008 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.974 -10.848 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.506 -10.252 -1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.497 -11.187 -3.413 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.702 -10.030 -3.943 1.00 0.00 H new ATOM 677 N ILE A 41 -12.057 -9.942 -1.400 1.00 0.00 N ATOM 678 CA ILE A 41 -10.931 -10.426 -0.617 1.00 0.00 C ATOM 679 C ILE A 41 -9.749 -10.717 -1.530 1.00 0.00 C ATOM 680 O ILE A 41 -9.906 -11.352 -2.573 1.00 0.00 O ATOM 681 CB ILE A 41 -11.284 -11.712 0.166 1.00 0.00 C ATOM 682 CG1 ILE A 41 -12.614 -11.555 0.910 1.00 0.00 C ATOM 683 CG2 ILE A 41 -10.173 -12.053 1.147 1.00 0.00 C ATOM 684 CD1 ILE A 41 -12.646 -10.387 1.873 1.00 0.00 C ATOM 0 H ILE A 41 -12.400 -10.602 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.675 -9.645 0.099 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.388 -12.527 -0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.415 -11.433 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.821 -12.473 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.434 -12.960 1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.243 -12.212 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.045 -11.231 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.620 -10.343 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.869 -10.515 2.627 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.472 -9.460 1.327 1.00 0.00 H new ATOM 696 N PHE A 42 -8.571 -10.259 -1.141 1.00 0.00 N ATOM 697 CA PHE A 42 -7.380 -10.460 -1.950 1.00 0.00 C ATOM 698 C PHE A 42 -6.417 -11.435 -1.286 1.00 0.00 C ATOM 699 O PHE A 42 -6.395 -11.573 -0.066 1.00 0.00 O ATOM 700 CB PHE A 42 -6.660 -9.132 -2.201 1.00 0.00 C ATOM 701 CG PHE A 42 -7.389 -8.188 -3.117 1.00 0.00 C ATOM 702 CD1 PHE A 42 -8.172 -8.667 -4.156 1.00 0.00 C ATOM 703 CD2 PHE A 42 -7.269 -6.819 -2.951 1.00 0.00 C ATOM 704 CE1 PHE A 42 -8.824 -7.797 -5.007 1.00 0.00 C ATOM 705 CE2 PHE A 42 -7.921 -5.944 -3.799 1.00 0.00 C ATOM 706 CZ PHE A 42 -8.698 -6.436 -4.829 1.00 0.00 C ATOM 0 H PHE A 42 -8.414 -9.747 -0.273 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.705 -10.880 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.497 -8.636 -1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.677 -9.341 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.273 -9.732 -4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.659 -6.430 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.432 -8.183 -5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.823 -4.878 -3.656 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.207 -5.755 -5.495 1.00 0.00 H new ATOM 716 N ASP A 43 -5.636 -12.115 -2.104 1.00 0.00 N ATOM 717 CA ASP A 43 -4.549 -12.950 -1.613 1.00 0.00 C ATOM 718 C ASP A 43 -3.299 -12.090 -1.439 1.00 0.00 C ATOM 719 O ASP A 43 -3.250 -10.965 -1.948 1.00 0.00 O ATOM 720 CB ASP A 43 -4.287 -14.100 -2.596 1.00 0.00 C ATOM 721 CG ASP A 43 -3.104 -14.962 -2.201 1.00 0.00 C ATOM 722 OD1 ASP A 43 -3.220 -15.734 -1.230 1.00 0.00 O ATOM 723 OD2 ASP A 43 -2.040 -14.850 -2.845 1.00 0.00 O ATOM 0 H ASP A 43 -5.733 -12.107 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.820 -13.382 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.178 -14.724 -2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.113 -13.688 -3.590 1.00 0.00 H new ATOM 728 N HIS A 44 -2.296 -12.603 -0.728 1.00 0.00 N ATOM 729 CA HIS A 44 -1.034 -11.880 -0.534 1.00 0.00 C ATOM 730 C HIS A 44 -0.374 -11.541 -1.876 1.00 0.00 C ATOM 731 O HIS A 44 0.495 -10.666 -1.951 1.00 0.00 O ATOM 732 CB HIS A 44 -0.066 -12.689 0.338 1.00 0.00 C ATOM 733 CG HIS A 44 -0.475 -12.805 1.782 1.00 0.00 C ATOM 734 ND1 HIS A 44 0.088 -13.715 2.652 1.00 0.00 N ATOM 735 CD2 HIS A 44 -1.385 -12.112 2.514 1.00 0.00 C ATOM 736 CE1 HIS A 44 -0.453 -13.580 3.846 1.00 0.00 C ATOM 737 NE2 HIS A 44 -1.348 -12.615 3.792 1.00 0.00 N ATOM 0 H HIS A 44 -2.330 -13.517 -0.276 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.269 -10.947 -0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.030 -13.691 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 44 0.920 -12.227 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.020 -11.314 2.158 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.205 -14.162 4.721 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.921 -12.293 4.572 1.00 0.00 H new ATOM 746 N ALA A 45 -0.790 -12.234 -2.935 1.00 0.00 N ATOM 747 CA ALA A 45 -0.334 -11.928 -4.286 1.00 0.00 C ATOM 748 C ALA A 45 -0.691 -10.494 -4.668 1.00 0.00 C ATOM 749 O ALA A 45 0.091 -9.798 -5.321 1.00 0.00 O ATOM 750 CB ALA A 45 -0.941 -12.904 -5.282 1.00 0.00 C ATOM 0 H ALA A 45 -1.445 -13.014 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 45 0.751 -12.029 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.592 -12.663 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.639 -13.920 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.028 -12.829 -5.248 1.00 0.00 H new ATOM 756 N HIS A 46 -1.867 -10.041 -4.242 1.00 0.00 N ATOM 757 CA HIS A 46 -2.293 -8.675 -4.523 1.00 0.00 C ATOM 758 C HIS A 46 -1.611 -7.701 -3.576 1.00 0.00 C ATOM 759 O HIS A 46 -1.574 -6.503 -3.836 1.00 0.00 O ATOM 760 CB HIS A 46 -3.814 -8.515 -4.427 1.00 0.00 C ATOM 761 CG HIS A 46 -4.568 -9.121 -5.571 1.00 0.00 C ATOM 762 ND1 HIS A 46 -4.588 -8.582 -6.842 1.00 0.00 N ATOM 763 CD2 HIS A 46 -5.346 -10.224 -5.625 1.00 0.00 C ATOM 764 CE1 HIS A 46 -5.346 -9.329 -7.620 1.00 0.00 C ATOM 765 NE2 HIS A 46 -5.817 -10.332 -6.910 1.00 0.00 N ATOM 0 H HIS A 46 -2.536 -10.594 -3.706 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.999 -8.451 -5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.158 -8.970 -3.498 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.054 -7.453 -4.370 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.094 -7.738 -7.133 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.558 -10.897 -4.808 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.547 -9.148 -8.666 1.00 0.00 H new ATOM 774 N THR A 47 -1.074 -8.219 -2.478 1.00 0.00 N ATOM 775 CA THR A 47 -0.292 -7.402 -1.566 1.00 0.00 C ATOM 776 C THR A 47 0.945 -6.872 -2.277 1.00 0.00 C ATOM 777 O THR A 47 1.093 -5.667 -2.452 1.00 0.00 O ATOM 778 CB THR A 47 0.140 -8.184 -0.311 1.00 0.00 C ATOM 779 OG1 THR A 47 -1.014 -8.612 0.428 1.00 0.00 O ATOM 780 CG2 THR A 47 1.040 -7.327 0.572 1.00 0.00 C ATOM 0 H THR A 47 -1.166 -9.196 -2.201 1.00 0.00 H new ATOM 0 HA THR A 47 -0.927 -6.576 -1.245 1.00 0.00 H new ATOM 0 HB THR A 47 0.702 -9.062 -0.629 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.728 -9.109 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.334 -7.897 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.930 -7.038 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.500 -6.432 0.882 1.00 0.00 H new ATOM 788 N ARG A 48 1.811 -7.778 -2.724 1.00 0.00 N ATOM 789 CA ARG A 48 3.025 -7.374 -3.425 1.00 0.00 C ATOM 790 C ARG A 48 2.663 -6.617 -4.697 1.00 0.00 C ATOM 791 O ARG A 48 3.393 -5.738 -5.144 1.00 0.00 O ATOM 792 CB ARG A 48 3.907 -8.584 -3.758 1.00 0.00 C ATOM 793 CG ARG A 48 3.313 -9.529 -4.790 1.00 0.00 C ATOM 794 CD ARG A 48 4.306 -10.607 -5.185 1.00 0.00 C ATOM 795 NE ARG A 48 3.857 -11.372 -6.344 1.00 0.00 N ATOM 796 CZ ARG A 48 4.486 -11.366 -7.520 1.00 0.00 C ATOM 797 NH1 ARG A 48 5.579 -10.630 -7.687 1.00 0.00 N ATOM 798 NH2 ARG A 48 4.022 -12.098 -8.525 1.00 0.00 N ATOM 0 H ARG A 48 1.696 -8.786 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 48 3.595 -6.718 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.870 -8.227 -4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.100 -9.141 -2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.412 -9.991 -4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.014 -8.965 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.270 -10.148 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.460 -11.282 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 48 3.017 -11.942 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.938 -10.068 -6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.059 -10.627 -8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.184 -12.665 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.503 -12.093 -9.424 1.00 0.00 H new ATOM 812 N GLU A 49 1.514 -6.966 -5.258 1.00 0.00 N ATOM 813 CA GLU A 49 0.995 -6.307 -6.443 1.00 0.00 C ATOM 814 C GLU A 49 0.728 -4.826 -6.174 1.00 0.00 C ATOM 815 O GLU A 49 1.365 -3.951 -6.762 1.00 0.00 O ATOM 816 CB GLU A 49 -0.290 -7.012 -6.868 1.00 0.00 C ATOM 817 CG GLU A 49 -0.874 -6.535 -8.180 1.00 0.00 C ATOM 818 CD GLU A 49 -2.091 -7.341 -8.567 1.00 0.00 C ATOM 819 OE1 GLU A 49 -1.919 -8.475 -9.066 1.00 0.00 O ATOM 820 OE2 GLU A 49 -3.223 -6.862 -8.348 1.00 0.00 O ATOM 0 H GLU A 49 0.917 -7.713 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 49 1.733 -6.366 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.093 -8.081 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.036 -6.879 -6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.144 -5.482 -8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.121 -6.611 -8.964 1.00 0.00 H new ATOM 827 N PHE A 50 -0.193 -4.549 -5.259 1.00 0.00 N ATOM 828 CA PHE A 50 -0.607 -3.181 -4.986 1.00 0.00 C ATOM 829 C PHE A 50 0.440 -2.412 -4.189 1.00 0.00 C ATOM 830 O PHE A 50 0.697 -1.244 -4.473 1.00 0.00 O ATOM 831 CB PHE A 50 -1.950 -3.156 -4.252 1.00 0.00 C ATOM 832 CG PHE A 50 -3.130 -3.391 -5.153 1.00 0.00 C ATOM 833 CD1 PHE A 50 -3.537 -2.407 -6.036 1.00 0.00 C ATOM 834 CD2 PHE A 50 -3.831 -4.586 -5.118 1.00 0.00 C ATOM 835 CE1 PHE A 50 -4.619 -2.606 -6.869 1.00 0.00 C ATOM 836 CE2 PHE A 50 -4.917 -4.792 -5.949 1.00 0.00 C ATOM 837 CZ PHE A 50 -5.311 -3.798 -6.826 1.00 0.00 C ATOM 0 H PHE A 50 -0.666 -5.254 -4.694 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.718 -2.685 -5.950 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.942 -3.916 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.067 -2.192 -3.757 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.001 -1.470 -6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.526 -5.365 -4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.924 -1.829 -7.554 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.456 -5.727 -5.913 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.159 -3.955 -7.476 1.00 0.00 H new ATOM 847 N ILE A 51 1.053 -3.060 -3.203 1.00 0.00 N ATOM 848 CA ILE A 51 2.022 -2.387 -2.345 1.00 0.00 C ATOM 849 C ILE A 51 3.236 -1.923 -3.148 1.00 0.00 C ATOM 850 O ILE A 51 3.622 -0.753 -3.076 1.00 0.00 O ATOM 851 CB ILE A 51 2.487 -3.277 -1.170 1.00 0.00 C ATOM 852 CG1 ILE A 51 1.305 -3.613 -0.252 1.00 0.00 C ATOM 853 CG2 ILE A 51 3.590 -2.584 -0.378 1.00 0.00 C ATOM 854 CD1 ILE A 51 0.631 -2.397 0.352 1.00 0.00 C ATOM 0 H ILE A 51 0.898 -4.043 -2.979 1.00 0.00 H new ATOM 0 HA ILE A 51 1.512 -1.519 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 51 2.885 -4.205 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.567 -4.181 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.655 -4.259 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.905 -3.225 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.440 -2.389 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.215 -1.641 0.020 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.194 -2.717 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.353 -1.839 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.249 -1.759 -0.445 1.00 0.00 H new ATOM 866 N GLN A 52 3.818 -2.830 -3.932 1.00 0.00 N ATOM 867 CA GLN A 52 5.000 -2.501 -4.721 1.00 0.00 C ATOM 868 C GLN A 52 4.684 -1.422 -5.750 1.00 0.00 C ATOM 869 O GLN A 52 5.416 -0.444 -5.870 1.00 0.00 O ATOM 870 CB GLN A 52 5.556 -3.746 -5.422 1.00 0.00 C ATOM 871 CG GLN A 52 6.781 -3.479 -6.288 1.00 0.00 C ATOM 872 CD GLN A 52 7.990 -3.025 -5.489 1.00 0.00 C ATOM 873 OE1 GLN A 52 8.175 -3.415 -4.338 1.00 0.00 O ATOM 874 NE2 GLN A 52 8.819 -2.192 -6.096 1.00 0.00 N ATOM 0 H GLN A 52 3.492 -3.791 -4.036 1.00 0.00 H new ATOM 0 HA GLN A 52 5.758 -2.120 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.813 -4.490 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.773 -4.180 -6.044 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.035 -4.386 -6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.536 -2.717 -7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.631 -1.892 -7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.647 -1.850 -5.608 1.00 0.00 H new ATOM 883 N SER A 53 3.580 -1.583 -6.474 1.00 0.00 N ATOM 884 CA SER A 53 3.217 -0.631 -7.519 1.00 0.00 C ATOM 885 C SER A 53 2.795 0.718 -6.935 1.00 0.00 C ATOM 886 O SER A 53 2.906 1.756 -7.598 1.00 0.00 O ATOM 887 CB SER A 53 2.119 -1.215 -8.403 1.00 0.00 C ATOM 888 OG SER A 53 2.578 -2.393 -9.045 1.00 0.00 O ATOM 0 H SER A 53 2.926 -2.357 -6.358 1.00 0.00 H new ATOM 0 HA SER A 53 4.100 -0.450 -8.132 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.239 -1.440 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.815 -0.481 -9.149 1.00 0.00 H new ATOM 0 HG SER A 53 3.551 -2.351 -9.149 1.00 0.00 H new ATOM 894 N PHE A 54 2.318 0.715 -5.695 1.00 0.00 N ATOM 895 CA PHE A 54 2.029 1.961 -4.999 1.00 0.00 C ATOM 896 C PHE A 54 3.331 2.727 -4.797 1.00 0.00 C ATOM 897 O PHE A 54 3.371 3.953 -4.901 1.00 0.00 O ATOM 898 CB PHE A 54 1.352 1.690 -3.652 1.00 0.00 C ATOM 899 CG PHE A 54 0.805 2.924 -2.986 1.00 0.00 C ATOM 900 CD1 PHE A 54 -0.467 3.383 -3.289 1.00 0.00 C ATOM 901 CD2 PHE A 54 1.560 3.620 -2.056 1.00 0.00 C ATOM 902 CE1 PHE A 54 -0.976 4.514 -2.677 1.00 0.00 C ATOM 903 CE2 PHE A 54 1.057 4.753 -1.442 1.00 0.00 C ATOM 904 CZ PHE A 54 -0.211 5.200 -1.753 1.00 0.00 C ATOM 0 H PHE A 54 2.125 -0.129 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 54 1.342 2.557 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.539 0.979 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.071 1.217 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.068 2.851 -4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.552 3.274 -1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.969 4.860 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.656 5.287 -0.720 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.605 6.085 -1.275 1.00 0.00 H new ATOM 914 N ILE A 55 4.397 1.981 -4.532 1.00 0.00 N ATOM 915 CA ILE A 55 5.732 2.550 -4.439 1.00 0.00 C ATOM 916 C ILE A 55 6.223 2.949 -5.829 1.00 0.00 C ATOM 917 O ILE A 55 6.769 4.031 -6.013 1.00 0.00 O ATOM 918 CB ILE A 55 6.733 1.552 -3.820 1.00 0.00 C ATOM 919 CG1 ILE A 55 6.235 1.068 -2.456 1.00 0.00 C ATOM 920 CG2 ILE A 55 8.107 2.196 -3.692 1.00 0.00 C ATOM 921 CD1 ILE A 55 7.101 -0.009 -1.835 1.00 0.00 C ATOM 0 H ILE A 55 4.360 0.974 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 55 5.673 3.426 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 55 6.815 0.687 -4.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.185 1.918 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.220 0.687 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.804 1.482 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.463 2.492 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.038 3.075 -3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.684 -0.300 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.131 -0.877 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.112 0.374 -1.693 1.00 0.00 H new ATOM 933 N GLU A 56 5.986 2.066 -6.805 1.00 0.00 N ATOM 934 CA GLU A 56 6.416 2.280 -8.193 1.00 0.00 C ATOM 935 C GLU A 56 5.812 3.545 -8.796 1.00 0.00 C ATOM 936 O GLU A 56 6.273 4.027 -9.829 1.00 0.00 O ATOM 937 CB GLU A 56 6.038 1.078 -9.061 1.00 0.00 C ATOM 938 CG GLU A 56 6.709 -0.219 -8.644 1.00 0.00 C ATOM 939 CD GLU A 56 6.332 -1.380 -9.538 1.00 0.00 C ATOM 940 OE1 GLU A 56 7.030 -1.608 -10.546 1.00 0.00 O ATOM 941 OE2 GLU A 56 5.338 -2.076 -9.239 1.00 0.00 O ATOM 0 H GLU A 56 5.493 1.186 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 56 7.499 2.398 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.957 0.943 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.300 1.294 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.791 -0.087 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.434 -0.452 -7.615 1.00 0.00 H new ATOM 948 N ARG A 57 4.768 4.069 -8.161 1.00 0.00 N ATOM 949 CA ARG A 57 4.176 5.344 -8.564 1.00 0.00 C ATOM 950 C ARG A 57 5.176 6.492 -8.432 1.00 0.00 C ATOM 951 O ARG A 57 4.943 7.595 -8.937 1.00 0.00 O ATOM 952 CB ARG A 57 2.932 5.633 -7.726 1.00 0.00 C ATOM 953 CG ARG A 57 1.692 4.924 -8.233 1.00 0.00 C ATOM 954 CD ARG A 57 0.625 4.814 -7.157 1.00 0.00 C ATOM 955 NE ARG A 57 -0.659 4.355 -7.697 1.00 0.00 N ATOM 956 CZ ARG A 57 -0.841 3.203 -8.353 1.00 0.00 C ATOM 957 NH1 ARG A 57 0.159 2.341 -8.500 1.00 0.00 N ATOM 958 NH2 ARG A 57 -2.036 2.906 -8.852 1.00 0.00 N ATOM 0 H ARG A 57 4.312 3.629 -7.362 1.00 0.00 H new ATOM 0 HA ARG A 57 3.894 5.265 -9.614 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.119 5.332 -6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.750 6.708 -7.717 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.290 5.464 -9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.961 3.927 -8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.960 4.123 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.491 5.785 -6.680 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.471 4.957 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.077 2.554 -8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.008 1.466 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.813 3.556 -8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.176 2.028 -9.352 1.00 0.00 H new ATOM 972 N ASP A 58 6.292 6.223 -7.762 1.00 0.00 N ATOM 973 CA ASP A 58 7.349 7.209 -7.590 1.00 0.00 C ATOM 974 C ASP A 58 7.985 7.547 -8.932 1.00 0.00 C ATOM 975 O ASP A 58 8.498 8.645 -9.120 1.00 0.00 O ATOM 976 CB ASP A 58 8.424 6.691 -6.625 1.00 0.00 C ATOM 977 CG ASP A 58 9.342 5.653 -7.252 1.00 0.00 C ATOM 978 OD1 ASP A 58 8.843 4.734 -7.939 1.00 0.00 O ATOM 979 OD2 ASP A 58 10.570 5.759 -7.071 1.00 0.00 O ATOM 0 H ASP A 58 6.487 5.322 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 58 6.904 8.110 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.023 7.531 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.939 6.257 -5.750 1.00 0.00 H new ATOM 984 N ASP A 59 7.923 6.604 -9.871 1.00 0.00 N ATOM 985 CA ASP A 59 8.516 6.794 -11.193 1.00 0.00 C ATOM 986 C ASP A 59 7.832 7.946 -11.920 1.00 0.00 C ATOM 987 O ASP A 59 8.457 8.664 -12.696 1.00 0.00 O ATOM 988 CB ASP A 59 8.419 5.507 -12.028 1.00 0.00 C ATOM 989 CG ASP A 59 7.182 5.448 -12.914 1.00 0.00 C ATOM 990 OD1 ASP A 59 6.051 5.405 -12.383 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.339 5.428 -14.152 1.00 0.00 O ATOM 0 H ASP A 59 7.468 5.701 -9.740 1.00 0.00 H new ATOM 0 HA ASP A 59 9.570 7.037 -11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.308 5.421 -12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.417 4.648 -11.357 1.00 0.00 H new ATOM 996 N THR A 60 6.551 8.128 -11.639 1.00 0.00 N ATOM 997 CA THR A 60 5.773 9.181 -12.262 1.00 0.00 C ATOM 998 C THR A 60 6.120 10.537 -11.647 1.00 0.00 C ATOM 999 O THR A 60 6.164 11.556 -12.338 1.00 0.00 O ATOM 1000 CB THR A 60 4.271 8.888 -12.107 1.00 0.00 C ATOM 1001 OG1 THR A 60 4.009 7.537 -12.516 1.00 0.00 O ATOM 1002 CG2 THR A 60 3.432 9.845 -12.940 1.00 0.00 C ATOM 0 H THR A 60 6.027 7.554 -10.978 1.00 0.00 H new ATOM 0 HA THR A 60 6.015 9.215 -13.324 1.00 0.00 H new ATOM 0 HB THR A 60 3.999 9.024 -11.060 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.053 7.345 -12.417 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.375 9.611 -12.809 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.620 10.869 -12.617 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.698 9.741 -13.992 1.00 0.00 H new ATOM 1010 N GLU A 61 6.397 10.530 -10.349 1.00 0.00 N ATOM 1011 CA GLU A 61 6.818 11.734 -9.648 1.00 0.00 C ATOM 1012 C GLU A 61 8.267 12.054 -10.017 1.00 0.00 C ATOM 1013 O GLU A 61 8.650 13.217 -10.159 1.00 0.00 O ATOM 1014 CB GLU A 61 6.657 11.534 -8.134 1.00 0.00 C ATOM 1015 CG GLU A 61 6.928 12.777 -7.299 1.00 0.00 C ATOM 1016 CD GLU A 61 6.480 12.610 -5.856 1.00 0.00 C ATOM 1017 OE1 GLU A 61 6.483 11.466 -5.358 1.00 0.00 O ATOM 1018 OE2 GLU A 61 6.104 13.620 -5.218 1.00 0.00 O ATOM 0 H GLU A 61 6.337 9.700 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 61 6.194 12.577 -9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.642 11.191 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.332 10.741 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.994 13.003 -7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.412 13.629 -7.741 1.00 0.00 H new ATOM 1025 N LEU A 62 9.053 11.000 -10.202 1.00 0.00 N ATOM 1026 CA LEU A 62 10.427 11.116 -10.670 1.00 0.00 C ATOM 1027 C LEU A 62 10.468 11.716 -12.071 1.00 0.00 C ATOM 1028 O LEU A 62 11.233 12.642 -12.332 1.00 0.00 O ATOM 1029 CB LEU A 62 11.095 9.737 -10.673 1.00 0.00 C ATOM 1030 CG LEU A 62 12.503 9.681 -11.270 1.00 0.00 C ATOM 1031 CD1 LEU A 62 13.470 10.532 -10.465 1.00 0.00 C ATOM 1032 CD2 LEU A 62 12.989 8.241 -11.335 1.00 0.00 C ATOM 0 H LEU A 62 8.754 10.040 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 62 10.969 11.777 -9.994 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.141 9.374 -9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.458 9.047 -11.226 1.00 0.00 H new ATOM 0 HG LEU A 62 12.461 10.084 -12.282 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.463 10.475 -10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.131 11.568 -10.466 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.511 10.165 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.992 8.214 -11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.011 7.819 -10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.313 7.657 -11.960 1.00 0.00 H new ATOM 1044 N ASP A 63 9.640 11.183 -12.967 1.00 0.00 N ATOM 1045 CA ASP A 63 9.577 11.673 -14.342 1.00 0.00 C ATOM 1046 C ASP A 63 9.171 13.141 -14.375 1.00 0.00 C ATOM 1047 O ASP A 63 9.631 13.893 -15.223 1.00 0.00 O ATOM 1048 CB ASP A 63 8.606 10.838 -15.180 1.00 0.00 C ATOM 1049 CG ASP A 63 8.500 11.328 -16.614 1.00 0.00 C ATOM 1050 OD1 ASP A 63 9.512 11.274 -17.347 1.00 0.00 O ATOM 1051 OD2 ASP A 63 7.399 11.773 -17.012 1.00 0.00 O ATOM 0 H ASP A 63 9.004 10.412 -12.765 1.00 0.00 H new ATOM 0 HA ASP A 63 10.573 11.577 -14.774 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.933 9.798 -15.179 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.619 10.863 -14.718 1.00 0.00 H new ATOM 1056 N GLU A 64 8.324 13.550 -13.436 1.00 0.00 N ATOM 1057 CA GLU A 64 7.957 14.958 -13.304 1.00 0.00 C ATOM 1058 C GLU A 64 9.191 15.812 -13.042 1.00 0.00 C ATOM 1059 O GLU A 64 9.411 16.822 -13.708 1.00 0.00 O ATOM 1060 CB GLU A 64 6.935 15.145 -12.181 1.00 0.00 C ATOM 1061 CG GLU A 64 5.495 15.159 -12.663 1.00 0.00 C ATOM 1062 CD GLU A 64 5.125 16.465 -13.342 1.00 0.00 C ATOM 1063 OE1 GLU A 64 5.416 16.629 -14.543 1.00 0.00 O ATOM 1064 OE2 GLU A 64 4.539 17.339 -12.668 1.00 0.00 O ATOM 0 H GLU A 64 7.880 12.931 -12.758 1.00 0.00 H new ATOM 0 HA GLU A 64 7.505 15.281 -14.242 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.057 14.343 -11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.145 16.081 -11.663 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.339 14.334 -13.358 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.830 14.992 -11.816 1.00 0.00 H new ATOM 1071 N LEU A 65 10.010 15.390 -12.085 1.00 0.00 N ATOM 1072 CA LEU A 65 11.245 16.100 -11.759 1.00 0.00 C ATOM 1073 C LEU A 65 12.235 16.022 -12.917 1.00 0.00 C ATOM 1074 O LEU A 65 13.111 16.869 -13.069 1.00 0.00 O ATOM 1075 CB LEU A 65 11.884 15.503 -10.504 1.00 0.00 C ATOM 1076 CG LEU A 65 11.041 15.598 -9.233 1.00 0.00 C ATOM 1077 CD1 LEU A 65 11.744 14.907 -8.074 1.00 0.00 C ATOM 1078 CD2 LEU A 65 10.760 17.051 -8.893 1.00 0.00 C ATOM 0 H LEU A 65 9.842 14.558 -11.519 1.00 0.00 H new ATOM 0 HA LEU A 65 10.995 17.145 -11.577 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.107 14.453 -10.694 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.836 16.004 -10.327 1.00 0.00 H new ATOM 0 HG LEU A 65 10.091 15.093 -9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.129 14.985 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.900 13.856 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.707 15.385 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.159 17.103 -7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.702 17.576 -8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.218 17.519 -9.715 1.00 0.00 H new ATOM 1267 N PRO A 75 16.869 18.897 -11.887 1.00 0.00 N ATOM 1268 CA PRO A 75 17.228 19.051 -10.472 1.00 0.00 C ATOM 1269 C PRO A 75 18.086 17.895 -9.963 1.00 0.00 C ATOM 1270 O PRO A 75 17.563 16.849 -9.587 1.00 0.00 O ATOM 1271 CB PRO A 75 15.877 19.056 -9.748 1.00 0.00 C ATOM 1272 CG PRO A 75 14.874 19.395 -10.796 1.00 0.00 C ATOM 1273 CD PRO A 75 15.412 18.830 -12.079 1.00 0.00 C ATOM 0 HA PRO A 75 17.819 19.951 -10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.666 18.085 -9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.866 19.788 -8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.901 18.966 -10.558 1.00 0.00 H new ATOM 0 HG3 PRO A 75 14.737 20.474 -10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.073 17.807 -12.242 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.092 19.413 -12.942 1.00 0.00 H new ATOM 1281 N SER A 76 19.397 18.092 -9.946 1.00 0.00 N ATOM 1282 CA SER A 76 20.332 17.040 -9.561 1.00 0.00 C ATOM 1283 C SER A 76 20.163 16.659 -8.091 1.00 0.00 C ATOM 1284 O SER A 76 20.408 15.518 -7.702 1.00 0.00 O ATOM 1285 CB SER A 76 21.770 17.493 -9.827 1.00 0.00 C ATOM 1286 OG SER A 76 21.923 17.939 -11.167 1.00 0.00 O ATOM 0 H SER A 76 19.841 18.976 -10.196 1.00 0.00 H new ATOM 0 HA SER A 76 20.116 16.158 -10.164 1.00 0.00 H new ATOM 0 HB2 SER A 76 22.035 18.297 -9.140 1.00 0.00 H new ATOM 0 HB3 SER A 76 22.457 16.669 -9.634 1.00 0.00 H new ATOM 0 HG SER A 76 22.849 18.225 -11.313 1.00 0.00 H new ATOM 1292 N ASN A 77 19.734 17.614 -7.278 1.00 0.00 N ATOM 1293 CA ASN A 77 19.522 17.368 -5.856 1.00 0.00 C ATOM 1294 C ASN A 77 18.197 16.648 -5.629 1.00 0.00 C ATOM 1295 O ASN A 77 18.151 15.584 -5.007 1.00 0.00 O ATOM 1296 CB ASN A 77 19.536 18.688 -5.074 1.00 0.00 C ATOM 1297 CG ASN A 77 19.326 18.491 -3.581 1.00 0.00 C ATOM 1298 OD1 ASN A 77 19.767 17.496 -3.005 1.00 0.00 O ATOM 1299 ND2 ASN A 77 18.636 19.429 -2.947 1.00 0.00 N ATOM 0 H ASN A 77 19.526 18.567 -7.577 1.00 0.00 H new ATOM 0 HA ASN A 77 20.334 16.735 -5.497 1.00 0.00 H new ATOM 0 HB2 ASN A 77 20.488 19.192 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.756 19.343 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.454 19.340 -1.947 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.287 20.239 -3.459 1.00 0.00 H new ATOM 1306 N ARG A 78 17.126 17.225 -6.165 1.00 0.00 N ATOM 1307 CA ARG A 78 15.773 16.731 -5.916 1.00 0.00 C ATOM 1308 C ARG A 78 15.508 15.394 -6.602 1.00 0.00 C ATOM 1309 O ARG A 78 14.856 14.522 -6.033 1.00 0.00 O ATOM 1310 CB ARG A 78 14.741 17.757 -6.385 1.00 0.00 C ATOM 1311 CG ARG A 78 14.865 19.109 -5.706 1.00 0.00 C ATOM 1312 CD ARG A 78 13.836 20.088 -6.240 1.00 0.00 C ATOM 1313 NE ARG A 78 13.996 21.422 -5.672 1.00 0.00 N ATOM 1314 CZ ARG A 78 13.176 22.441 -5.925 1.00 0.00 C ATOM 1315 NH1 ARG A 78 12.138 22.277 -6.738 1.00 0.00 N ATOM 1316 NH2 ARG A 78 13.391 23.621 -5.367 1.00 0.00 N ATOM 0 H ARG A 78 17.168 18.039 -6.778 1.00 0.00 H new ATOM 0 HA ARG A 78 15.684 16.577 -4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.841 17.892 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.742 17.361 -6.205 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.735 18.992 -4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.867 19.508 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.920 20.145 -7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.835 19.718 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 78 14.783 21.584 -5.044 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.967 21.369 -7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.512 23.059 -6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.186 23.752 -4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.762 24.400 -5.562 1.00 0.00 H new ATOM 1330 N GLN A 79 16.015 15.235 -7.819 1.00 0.00 N ATOM 1331 CA GLN A 79 15.751 14.035 -8.608 1.00 0.00 C ATOM 1332 C GLN A 79 16.296 12.794 -7.908 1.00 0.00 C ATOM 1333 O GLN A 79 15.637 11.756 -7.851 1.00 0.00 O ATOM 1334 CB GLN A 79 16.372 14.174 -9.998 1.00 0.00 C ATOM 1335 CG GLN A 79 15.884 13.143 -11.000 1.00 0.00 C ATOM 1336 CD GLN A 79 16.506 13.335 -12.368 1.00 0.00 C ATOM 1337 OE1 GLN A 79 17.543 12.752 -12.682 1.00 0.00 O ATOM 1338 NE2 GLN A 79 15.884 14.164 -13.189 1.00 0.00 N ATOM 0 H GLN A 79 16.611 15.921 -8.282 1.00 0.00 H new ATOM 0 HA GLN A 79 14.672 13.922 -8.711 1.00 0.00 H new ATOM 0 HB2 GLN A 79 16.155 15.170 -10.383 1.00 0.00 H new ATOM 0 HB3 GLN A 79 17.456 14.095 -9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 79 16.118 12.144 -10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 79 14.799 13.206 -11.084 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.026 14.628 -12.891 1.00 0.00 H new ATOM 0 HE22 GLN A 79 16.262 14.339 -14.120 1.00 0.00 H new ATOM 1347 N VAL A 80 17.493 12.917 -7.354 1.00 0.00 N ATOM 1348 CA VAL A 80 18.114 11.808 -6.641 1.00 0.00 C ATOM 1349 C VAL A 80 17.444 11.602 -5.285 1.00 0.00 C ATOM 1350 O VAL A 80 17.324 10.475 -4.803 1.00 0.00 O ATOM 1351 CB VAL A 80 19.630 12.035 -6.451 1.00 0.00 C ATOM 1352 CG1 VAL A 80 20.274 10.852 -5.742 1.00 0.00 C ATOM 1353 CG2 VAL A 80 20.302 12.278 -7.795 1.00 0.00 C ATOM 0 H VAL A 80 18.053 13.769 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 80 17.979 10.912 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 80 19.765 12.918 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 80 21.341 11.037 -5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.815 10.721 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 80 20.128 9.949 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 80 21.370 12.436 -7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.151 11.412 -8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.867 13.160 -8.265 1.00 0.00 H new ATOM 1363 N LEU A 81 16.980 12.695 -4.686 1.00 0.00 N ATOM 1364 CA LEU A 81 16.280 12.632 -3.407 1.00 0.00 C ATOM 1365 C LEU A 81 15.000 11.810 -3.540 1.00 0.00 C ATOM 1366 O LEU A 81 14.603 11.104 -2.612 1.00 0.00 O ATOM 1367 CB LEU A 81 15.954 14.045 -2.911 1.00 0.00 C ATOM 1368 CG LEU A 81 15.287 14.120 -1.536 1.00 0.00 C ATOM 1369 CD1 LEU A 81 16.210 13.562 -0.464 1.00 0.00 C ATOM 1370 CD2 LEU A 81 14.895 15.554 -1.213 1.00 0.00 C ATOM 0 H LEU A 81 17.076 13.636 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 81 16.930 12.146 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.878 14.623 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.301 14.526 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 81 14.382 13.513 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.719 13.624 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.441 12.521 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.133 14.141 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.422 15.590 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.785 16.183 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.196 15.919 -1.966 1.00 0.00 H new ATOM 1382 N LEU A 82 14.366 11.901 -4.707 1.00 0.00 N ATOM 1383 CA LEU A 82 13.169 11.119 -4.998 1.00 0.00 C ATOM 1384 C LEU A 82 13.494 9.629 -4.904 1.00 0.00 C ATOM 1385 O LEU A 82 12.761 8.862 -4.278 1.00 0.00 O ATOM 1386 CB LEU A 82 12.634 11.481 -6.397 1.00 0.00 C ATOM 1387 CG LEU A 82 11.198 11.031 -6.726 1.00 0.00 C ATOM 1388 CD1 LEU A 82 11.123 9.532 -6.981 1.00 0.00 C ATOM 1389 CD2 LEU A 82 10.245 11.430 -5.606 1.00 0.00 C ATOM 0 H LEU A 82 14.664 12.511 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 82 12.394 11.350 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.686 12.564 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.305 11.049 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 82 10.896 11.537 -7.643 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.094 9.253 -7.210 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.765 9.274 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.456 8.995 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.235 11.105 -5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.560 10.958 -4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.258 12.513 -5.486 1.00 0.00 H new ATOM 1401 N GLN A 83 14.614 9.237 -5.505 1.00 0.00 N ATOM 1402 CA GLN A 83 15.067 7.851 -5.466 1.00 0.00 C ATOM 1403 C GLN A 83 15.273 7.392 -4.027 1.00 0.00 C ATOM 1404 O GLN A 83 14.903 6.279 -3.662 1.00 0.00 O ATOM 1405 CB GLN A 83 16.372 7.691 -6.248 1.00 0.00 C ATOM 1406 CG GLN A 83 16.950 6.284 -6.190 1.00 0.00 C ATOM 1407 CD GLN A 83 18.319 6.192 -6.830 1.00 0.00 C ATOM 1408 OE1 GLN A 83 18.630 6.930 -7.766 1.00 0.00 O ATOM 1409 NE2 GLN A 83 19.151 5.289 -6.332 1.00 0.00 N ATOM 0 H GLN A 83 15.227 9.864 -6.027 1.00 0.00 H new ATOM 0 HA GLN A 83 14.297 7.232 -5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.197 7.960 -7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.108 8.393 -5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 83 17.017 5.965 -5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.271 5.595 -6.692 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.856 4.696 -5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.087 5.186 -6.725 1.00 0.00 H new ATOM 1418 N GLN A 84 15.840 8.269 -3.207 1.00 0.00 N ATOM 1419 CA GLN A 84 16.131 7.944 -1.816 1.00 0.00 C ATOM 1420 C GLN A 84 14.845 7.744 -1.015 1.00 0.00 C ATOM 1421 O GLN A 84 14.847 7.107 0.040 1.00 0.00 O ATOM 1422 CB GLN A 84 16.996 9.038 -1.188 1.00 0.00 C ATOM 1423 CG GLN A 84 18.288 9.278 -1.952 1.00 0.00 C ATOM 1424 CD GLN A 84 19.219 10.257 -1.268 1.00 0.00 C ATOM 1425 OE1 GLN A 84 18.786 11.167 -0.559 1.00 0.00 O ATOM 1426 NE2 GLN A 84 20.510 10.074 -1.482 1.00 0.00 N ATOM 0 H GLN A 84 16.108 9.214 -3.483 1.00 0.00 H new ATOM 0 HA GLN A 84 16.684 7.005 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.426 9.966 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 84 17.233 8.763 -0.160 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.805 8.328 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.048 9.651 -2.948 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.825 9.307 -2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 84 21.192 10.700 -1.053 1.00 0.00 H new ATOM 1435 N ARG A 85 13.744 8.285 -1.520 1.00 0.00 N ATOM 1436 CA ARG A 85 12.446 8.063 -0.904 1.00 0.00 C ATOM 1437 C ARG A 85 11.929 6.680 -1.277 1.00 0.00 C ATOM 1438 O ARG A 85 11.276 6.013 -0.473 1.00 0.00 O ATOM 1439 CB ARG A 85 11.453 9.156 -1.311 1.00 0.00 C ATOM 1440 CG ARG A 85 11.845 10.538 -0.808 1.00 0.00 C ATOM 1441 CD ARG A 85 11.994 10.549 0.707 1.00 0.00 C ATOM 1442 NE ARG A 85 12.564 11.801 1.203 1.00 0.00 N ATOM 1443 CZ ARG A 85 13.613 11.864 2.025 1.00 0.00 C ATOM 1444 NH1 ARG A 85 14.200 10.748 2.437 1.00 0.00 N ATOM 1445 NH2 ARG A 85 14.072 13.040 2.435 1.00 0.00 N ATOM 0 H ARG A 85 13.725 8.877 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 85 12.556 8.112 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.375 9.181 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.465 8.903 -0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.783 10.844 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.090 11.265 -1.107 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.018 10.390 1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.629 9.718 1.013 1.00 0.00 H new ATOM 0 HE ARG A 85 12.135 12.676 0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.849 9.842 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.002 10.796 3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.622 13.900 2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.874 13.083 3.063 1.00 0.00 H new ATOM 1459 N ARG A 86 12.244 6.246 -2.497 1.00 0.00 N ATOM 1460 CA ARG A 86 11.975 4.873 -2.913 1.00 0.00 C ATOM 1461 C ARG A 86 12.800 3.912 -2.062 1.00 0.00 C ATOM 1462 O ARG A 86 12.305 2.874 -1.619 1.00 0.00 O ATOM 1463 CB ARG A 86 12.307 4.675 -4.399 1.00 0.00 C ATOM 1464 CG ARG A 86 12.336 3.212 -4.823 1.00 0.00 C ATOM 1465 CD ARG A 86 12.792 3.037 -6.263 1.00 0.00 C ATOM 1466 NE ARG A 86 11.755 3.397 -7.225 1.00 0.00 N ATOM 1467 CZ ARG A 86 11.530 2.736 -8.360 1.00 0.00 C ATOM 1468 NH1 ARG A 86 12.286 1.693 -8.688 1.00 0.00 N ATOM 1469 NH2 ARG A 86 10.541 3.114 -9.158 1.00 0.00 N ATOM 0 H ARG A 86 12.685 6.825 -3.212 1.00 0.00 H new ATOM 0 HA ARG A 86 10.914 4.668 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.570 5.206 -5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.277 5.126 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.004 2.658 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 86 11.341 2.782 -4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.675 3.652 -6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.088 2.000 -6.424 1.00 0.00 H new ATOM 0 HE ARG A 86 11.167 4.204 -7.016 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.041 1.396 -8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.111 1.189 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.955 3.909 -8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.366 2.610 -10.027 1.00 0.00 H new ATOM 1483 N ASP A 87 14.062 4.275 -1.837 1.00 0.00 N ATOM 1484 CA ASP A 87 14.959 3.494 -0.988 1.00 0.00 C ATOM 1485 C ASP A 87 14.329 3.225 0.373 1.00 0.00 C ATOM 1486 O ASP A 87 14.372 2.105 0.873 1.00 0.00 O ATOM 1487 CB ASP A 87 16.299 4.214 -0.796 1.00 0.00 C ATOM 1488 CG ASP A 87 17.262 4.007 -1.948 1.00 0.00 C ATOM 1489 OD1 ASP A 87 18.015 3.013 -1.921 1.00 0.00 O ATOM 1490 OD2 ASP A 87 17.295 4.844 -2.871 1.00 0.00 O ATOM 0 H ASP A 87 14.488 5.112 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 87 15.135 2.543 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.115 5.281 -0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.764 3.862 0.125 1.00 0.00 H new ATOM 1495 N GLN A 88 13.738 4.260 0.963 1.00 0.00 N ATOM 1496 CA GLN A 88 13.091 4.134 2.266 1.00 0.00 C ATOM 1497 C GLN A 88 11.930 3.146 2.212 1.00 0.00 C ATOM 1498 O GLN A 88 11.851 2.232 3.035 1.00 0.00 O ATOM 1499 CB GLN A 88 12.602 5.501 2.754 1.00 0.00 C ATOM 1500 CG GLN A 88 11.843 5.446 4.072 1.00 0.00 C ATOM 1501 CD GLN A 88 11.465 6.821 4.585 1.00 0.00 C ATOM 1502 OE1 GLN A 88 12.176 7.800 4.347 1.00 0.00 O ATOM 1503 NE2 GLN A 88 10.348 6.911 5.289 1.00 0.00 N ATOM 0 H GLN A 88 13.694 5.196 0.560 1.00 0.00 H new ATOM 0 HA GLN A 88 13.829 3.751 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.459 6.164 2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.957 5.939 1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.940 4.850 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.455 4.939 4.818 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.787 6.077 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.048 7.814 5.656 1.00 0.00 H new ATOM 1512 N GLU A 89 11.045 3.328 1.232 1.00 0.00 N ATOM 1513 CA GLU A 89 9.902 2.436 1.042 1.00 0.00 C ATOM 1514 C GLU A 89 10.354 0.981 0.955 1.00 0.00 C ATOM 1515 O GLU A 89 9.867 0.128 1.692 1.00 0.00 O ATOM 1516 CB GLU A 89 9.144 2.813 -0.235 1.00 0.00 C ATOM 1517 CG GLU A 89 8.319 4.086 -0.125 1.00 0.00 C ATOM 1518 CD GLU A 89 6.946 3.851 0.480 1.00 0.00 C ATOM 1519 OE1 GLU A 89 6.042 3.394 -0.251 1.00 0.00 O ATOM 1520 OE2 GLU A 89 6.755 4.134 1.679 1.00 0.00 O ATOM 0 H GLU A 89 11.099 4.089 0.555 1.00 0.00 H new ATOM 0 HA GLU A 89 9.242 2.546 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.861 2.929 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.484 1.989 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.859 4.811 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.203 4.525 -1.116 1.00 0.00 H new ATOM 1527 N LEU A 90 11.307 0.712 0.068 1.00 0.00 N ATOM 1528 CA LEU A 90 11.789 -0.650 -0.151 1.00 0.00 C ATOM 1529 C LEU A 90 12.530 -1.189 1.068 1.00 0.00 C ATOM 1530 O LEU A 90 12.417 -2.372 1.395 1.00 0.00 O ATOM 1531 CB LEU A 90 12.689 -0.723 -1.389 1.00 0.00 C ATOM 1532 CG LEU A 90 11.964 -0.931 -2.726 1.00 0.00 C ATOM 1533 CD1 LEU A 90 11.121 -2.197 -2.686 1.00 0.00 C ATOM 1534 CD2 LEU A 90 11.102 0.269 -3.078 1.00 0.00 C ATOM 0 H LEU A 90 11.761 1.418 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 90 10.912 -1.276 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.268 0.199 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.400 -1.538 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 90 12.721 -1.040 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.615 -2.327 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.764 -3.056 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.379 -2.115 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.602 0.091 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.355 0.422 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.729 1.157 -3.158 1.00 0.00 H new ATOM 1546 N LYS A 91 13.280 -0.322 1.745 1.00 0.00 N ATOM 1547 CA LYS A 91 14.025 -0.726 2.932 1.00 0.00 C ATOM 1548 C LYS A 91 13.075 -1.216 4.018 1.00 0.00 C ATOM 1549 O LYS A 91 13.259 -2.295 4.581 1.00 0.00 O ATOM 1550 CB LYS A 91 14.862 0.441 3.463 1.00 0.00 C ATOM 1551 CG LYS A 91 15.621 0.113 4.739 1.00 0.00 C ATOM 1552 CD LYS A 91 16.284 1.346 5.324 1.00 0.00 C ATOM 1553 CE LYS A 91 16.905 1.050 6.678 1.00 0.00 C ATOM 1554 NZ LYS A 91 17.391 2.286 7.345 1.00 0.00 N ATOM 0 H LYS A 91 13.387 0.660 1.492 1.00 0.00 H new ATOM 0 HA LYS A 91 14.693 -1.541 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.573 0.746 2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.207 1.293 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.936 -0.315 5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.377 -0.643 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.052 1.707 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.548 2.143 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.170 0.558 7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.735 0.354 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.808 2.042 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.111 2.742 6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.595 2.940 7.487 1.00 0.00 H new ATOM 1568 N GLU A 92 12.049 -0.422 4.293 1.00 0.00 N ATOM 1569 CA GLU A 92 11.079 -0.752 5.326 1.00 0.00 C ATOM 1570 C GLU A 92 10.174 -1.898 4.869 1.00 0.00 C ATOM 1571 O GLU A 92 9.718 -2.707 5.677 1.00 0.00 O ATOM 1572 CB GLU A 92 10.262 0.496 5.678 1.00 0.00 C ATOM 1573 CG GLU A 92 9.229 0.275 6.768 1.00 0.00 C ATOM 1574 CD GLU A 92 8.817 1.568 7.441 1.00 0.00 C ATOM 1575 OE1 GLU A 92 7.953 2.283 6.897 1.00 0.00 O ATOM 1576 OE2 GLU A 92 9.371 1.880 8.519 1.00 0.00 O ATOM 0 H GLU A 92 11.867 0.459 3.812 1.00 0.00 H new ATOM 0 HA GLU A 92 11.605 -1.087 6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.944 1.286 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.756 0.851 4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.349 -0.205 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.633 -0.408 7.515 1.00 0.00 H new ATOM 1583 N PHE A 93 9.949 -1.974 3.563 1.00 0.00 N ATOM 1584 CA PHE A 93 9.141 -3.034 2.972 1.00 0.00 C ATOM 1585 C PHE A 93 9.803 -4.397 3.177 1.00 0.00 C ATOM 1586 O PHE A 93 9.135 -5.385 3.476 1.00 0.00 O ATOM 1587 CB PHE A 93 8.940 -2.753 1.479 1.00 0.00 C ATOM 1588 CG PHE A 93 8.009 -3.702 0.782 1.00 0.00 C ATOM 1589 CD1 PHE A 93 6.784 -4.029 1.336 1.00 0.00 C ATOM 1590 CD2 PHE A 93 8.357 -4.253 -0.441 1.00 0.00 C ATOM 1591 CE1 PHE A 93 5.922 -4.891 0.686 1.00 0.00 C ATOM 1592 CE2 PHE A 93 7.500 -5.114 -1.096 1.00 0.00 C ATOM 1593 CZ PHE A 93 6.281 -5.432 -0.531 1.00 0.00 C ATOM 0 H PHE A 93 10.319 -1.306 2.887 1.00 0.00 H new ATOM 0 HA PHE A 93 8.169 -3.056 3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.558 -1.739 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.910 -2.787 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.498 -3.605 2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.309 -4.006 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.969 -5.141 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.782 -5.538 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.608 -6.105 -1.042 1.00 0.00 H new ATOM 1603 N LYS A 94 11.122 -4.439 3.035 1.00 0.00 N ATOM 1604 CA LYS A 94 11.870 -5.680 3.216 1.00 0.00 C ATOM 1605 C LYS A 94 12.273 -5.880 4.672 1.00 0.00 C ATOM 1606 O LYS A 94 12.919 -6.872 5.019 1.00 0.00 O ATOM 1607 CB LYS A 94 13.104 -5.704 2.316 1.00 0.00 C ATOM 1608 CG LYS A 94 12.776 -5.974 0.860 1.00 0.00 C ATOM 1609 CD LYS A 94 14.024 -6.000 -0.005 1.00 0.00 C ATOM 1610 CE LYS A 94 13.712 -6.479 -1.415 1.00 0.00 C ATOM 1611 NZ LYS A 94 12.615 -5.689 -2.035 1.00 0.00 N ATOM 0 H LYS A 94 11.696 -3.631 2.796 1.00 0.00 H new ATOM 0 HA LYS A 94 11.214 -6.503 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.621 -4.748 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.793 -6.469 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.256 -6.928 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.095 -5.206 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 94 14.461 -5.002 -0.046 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.768 -6.655 0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.608 -6.404 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.432 -7.532 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.837 -5.512 -3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.723 -6.220 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.516 -4.781 -1.537 1.00 0.00 H new ATOM 1625 N ALA A 95 11.891 -4.938 5.519 1.00 0.00 N ATOM 1626 CA ALA A 95 12.142 -5.045 6.949 1.00 0.00 C ATOM 1627 C ALA A 95 10.854 -5.394 7.683 1.00 0.00 C ATOM 1628 O ALA A 95 10.789 -5.351 8.911 1.00 0.00 O ATOM 1629 CB ALA A 95 12.730 -3.750 7.485 1.00 0.00 C ATOM 0 H ALA A 95 11.404 -4.086 5.240 1.00 0.00 H new ATOM 0 HA ALA A 95 12.865 -5.843 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.911 -3.848 8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 95 13.670 -3.539 6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.031 -2.933 7.309 1.00 0.00 H new ATOM 1635 N GLY A 96 9.834 -5.752 6.917 1.00 0.00 N ATOM 1636 CA GLY A 96 8.547 -6.061 7.495 1.00 0.00 C ATOM 1637 C GLY A 96 7.646 -4.848 7.510 1.00 0.00 C ATOM 1638 O GLY A 96 7.580 -4.123 8.505 1.00 0.00 O ATOM 0 H GLY A 96 9.878 -5.834 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.073 -6.861 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.682 -6.429 8.512 1.00 0.00 H new ATOM 1642 N PHE A 97 6.958 -4.619 6.403 1.00 0.00 N ATOM 1643 CA PHE A 97 6.098 -3.456 6.271 1.00 0.00 C ATOM 1644 C PHE A 97 4.744 -3.733 6.910 1.00 0.00 C ATOM 1645 O PHE A 97 4.229 -4.848 6.831 1.00 0.00 O ATOM 1646 CB PHE A 97 5.930 -3.090 4.794 1.00 0.00 C ATOM 1647 CG PHE A 97 5.466 -1.681 4.580 1.00 0.00 C ATOM 1648 CD1 PHE A 97 6.380 -0.644 4.530 1.00 0.00 C ATOM 1649 CD2 PHE A 97 4.120 -1.392 4.434 1.00 0.00 C ATOM 1650 CE1 PHE A 97 5.963 0.656 4.340 1.00 0.00 C ATOM 1651 CE2 PHE A 97 3.695 -0.094 4.243 1.00 0.00 C ATOM 1652 CZ PHE A 97 4.618 0.931 4.197 1.00 0.00 C ATOM 0 H PHE A 97 6.979 -5.224 5.582 1.00 0.00 H new ATOM 0 HA PHE A 97 6.559 -2.613 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 97 6.881 -3.234 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 97 5.215 -3.774 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.433 -0.855 4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.395 -2.192 4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.687 1.457 4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.642 0.120 4.130 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.288 1.949 4.049 1.00 0.00 H new ATOM 1662 N LEU A 98 4.176 -2.721 7.549 1.00 0.00 N ATOM 1663 CA LEU A 98 2.905 -2.873 8.246 1.00 0.00 C ATOM 1664 C LEU A 98 1.741 -2.856 7.257 1.00 0.00 C ATOM 1665 O LEU A 98 1.345 -1.801 6.764 1.00 0.00 O ATOM 1666 CB LEU A 98 2.735 -1.763 9.286 1.00 0.00 C ATOM 1667 CG LEU A 98 1.524 -1.915 10.209 1.00 0.00 C ATOM 1668 CD1 LEU A 98 1.657 -3.169 11.060 1.00 0.00 C ATOM 1669 CD2 LEU A 98 1.369 -0.684 11.087 1.00 0.00 C ATOM 0 H LEU A 98 4.575 -1.784 7.600 1.00 0.00 H new ATOM 0 HA LEU A 98 2.906 -3.836 8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.636 -1.720 9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.658 -0.808 8.766 1.00 0.00 H new ATOM 0 HG LEU A 98 0.629 -2.013 9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.787 -3.261 11.710 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.720 -4.043 10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.559 -3.102 11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.503 -0.808 11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.264 -0.556 11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.228 0.196 10.459 1.00 0.00 H new ATOM 1681 N CYS A 99 1.223 -4.035 6.950 1.00 0.00 N ATOM 1682 CA CYS A 99 0.097 -4.166 6.037 1.00 0.00 C ATOM 1683 C CYS A 99 -1.004 -5.015 6.674 1.00 0.00 C ATOM 1684 O CYS A 99 -0.746 -5.785 7.598 1.00 0.00 O ATOM 1685 CB CYS A 99 0.557 -4.800 4.721 1.00 0.00 C ATOM 1686 SG CYS A 99 1.818 -3.844 3.850 1.00 0.00 S ATOM 0 H CYS A 99 1.567 -4.920 7.322 1.00 0.00 H new ATOM 0 HA CYS A 99 -0.303 -3.174 5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.948 -5.797 4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -0.307 -4.925 4.068 1.00 0.00 H new ATOM 0 HG CYS A 99 2.146 -4.457 2.752 1.00 0.00 H new ATOM 1692 N PRO A 100 -2.254 -4.870 6.208 1.00 0.00 N ATOM 1693 CA PRO A 100 -3.359 -5.701 6.665 1.00 0.00 C ATOM 1694 C PRO A 100 -3.368 -7.048 5.955 1.00 0.00 C ATOM 1695 O PRO A 100 -2.969 -7.146 4.792 1.00 0.00 O ATOM 1696 CB PRO A 100 -4.615 -4.893 6.292 1.00 0.00 C ATOM 1697 CG PRO A 100 -4.134 -3.657 5.594 1.00 0.00 C ATOM 1698 CD PRO A 100 -2.698 -3.894 5.212 1.00 0.00 C ATOM 0 HA PRO A 100 -3.293 -5.921 7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.272 -5.474 5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.190 -4.637 7.182 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.739 -3.454 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.221 -2.788 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.608 -4.282 4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.111 -2.976 5.255 1.00 0.00 H new ATOM 1706 N ASP A 101 -3.804 -8.087 6.650 1.00 0.00 N ATOM 1707 CA ASP A 101 -3.911 -9.398 6.029 1.00 0.00 C ATOM 1708 C ASP A 101 -5.157 -9.449 5.162 1.00 0.00 C ATOM 1709 O ASP A 101 -6.275 -9.579 5.662 1.00 0.00 O ATOM 1710 CB ASP A 101 -3.946 -10.521 7.064 1.00 0.00 C ATOM 1711 CG ASP A 101 -3.917 -11.885 6.404 1.00 0.00 C ATOM 1712 OD1 ASP A 101 -2.823 -12.322 5.982 1.00 0.00 O ATOM 1713 OD2 ASP A 101 -4.983 -12.524 6.288 1.00 0.00 O ATOM 0 H ASP A 101 -4.086 -8.050 7.630 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.024 -9.551 5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.095 -10.423 7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.846 -10.429 7.672 1.00 0.00 H new ATOM 1718 N LEU A 102 -4.949 -9.332 3.858 1.00 0.00 N ATOM 1719 CA LEU A 102 -6.044 -9.239 2.900 1.00 0.00 C ATOM 1720 C LEU A 102 -6.891 -10.506 2.865 1.00 0.00 C ATOM 1721 O LEU A 102 -8.020 -10.481 2.391 1.00 0.00 O ATOM 1722 CB LEU A 102 -5.504 -8.967 1.498 1.00 0.00 C ATOM 1723 CG LEU A 102 -4.677 -7.693 1.335 1.00 0.00 C ATOM 1724 CD1 LEU A 102 -4.245 -7.546 -0.112 1.00 0.00 C ATOM 1725 CD2 LEU A 102 -5.467 -6.473 1.783 1.00 0.00 C ATOM 0 H LEU A 102 -4.021 -9.299 3.435 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.676 -8.414 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.891 -9.816 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.347 -8.920 0.808 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.791 -7.767 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.655 -6.636 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -3.643 -8.407 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.126 -7.489 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.857 -5.578 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.371 -6.383 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.740 -6.582 2.833 1.00 0.00 H new ATOM 1737 N SER A 103 -6.353 -11.606 3.368 1.00 0.00 N ATOM 1738 CA SER A 103 -7.039 -12.884 3.286 1.00 0.00 C ATOM 1739 C SER A 103 -7.973 -13.103 4.476 1.00 0.00 C ATOM 1740 O SER A 103 -8.564 -14.174 4.624 1.00 0.00 O ATOM 1741 CB SER A 103 -6.021 -14.021 3.166 1.00 0.00 C ATOM 1742 OG SER A 103 -4.918 -13.821 4.037 1.00 0.00 O ATOM 0 H SER A 103 -5.447 -11.639 3.835 1.00 0.00 H new ATOM 0 HA SER A 103 -7.661 -12.877 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.504 -14.970 3.399 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.667 -14.088 2.137 1.00 0.00 H new ATOM 0 HG SER A 103 -5.245 -13.580 4.929 1.00 0.00 H new ATOM 1748 N ASP A 104 -8.106 -12.094 5.328 1.00 0.00 N ATOM 1749 CA ASP A 104 -9.072 -12.156 6.413 1.00 0.00 C ATOM 1750 C ASP A 104 -10.294 -11.327 6.050 1.00 0.00 C ATOM 1751 O ASP A 104 -10.246 -10.099 6.058 1.00 0.00 O ATOM 1752 CB ASP A 104 -8.474 -11.662 7.730 1.00 0.00 C ATOM 1753 CG ASP A 104 -9.419 -11.881 8.896 1.00 0.00 C ATOM 1754 OD1 ASP A 104 -10.289 -11.021 9.134 1.00 0.00 O ATOM 1755 OD2 ASP A 104 -9.299 -12.926 9.570 1.00 0.00 O ATOM 0 H ASP A 104 -7.562 -11.232 5.288 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.360 -13.198 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.535 -12.182 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.239 -10.601 7.647 1.00 0.00 H new ATOM 1760 N ALA A 105 -11.385 -12.006 5.730 1.00 0.00 N ATOM 1761 CA ALA A 105 -12.587 -11.349 5.228 1.00 0.00 C ATOM 1762 C ALA A 105 -13.210 -10.431 6.272 1.00 0.00 C ATOM 1763 O ALA A 105 -13.891 -9.462 5.931 1.00 0.00 O ATOM 1764 CB ALA A 105 -13.596 -12.388 4.767 1.00 0.00 C ATOM 0 H ALA A 105 -11.465 -13.020 5.809 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.296 -10.729 4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -14.489 -11.887 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -13.159 -12.991 3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -13.864 -13.032 5.605 1.00 0.00 H new ATOM 1770 N LYS A 106 -12.962 -10.727 7.538 1.00 0.00 N ATOM 1771 CA LYS A 106 -13.512 -9.940 8.628 1.00 0.00 C ATOM 1772 C LYS A 106 -12.785 -8.600 8.716 1.00 0.00 C ATOM 1773 O LYS A 106 -13.407 -7.532 8.753 1.00 0.00 O ATOM 1774 CB LYS A 106 -13.382 -10.717 9.940 1.00 0.00 C ATOM 1775 CG LYS A 106 -14.168 -10.121 11.093 1.00 0.00 C ATOM 1776 CD LYS A 106 -13.980 -10.933 12.363 1.00 0.00 C ATOM 1777 CE LYS A 106 -14.847 -10.410 13.495 1.00 0.00 C ATOM 1778 NZ LYS A 106 -14.605 -8.967 13.761 1.00 0.00 N ATOM 0 H LYS A 106 -12.381 -11.510 7.836 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.569 -9.747 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.716 -11.742 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.329 -10.765 10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.846 -9.094 11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.226 -10.084 10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.226 -11.977 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.932 -10.903 12.663 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.897 -10.562 13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.647 -10.984 14.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.099 -8.687 14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.584 -8.801 13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.962 -8.402 12.964 1.00 0.00 H new ATOM 1792 N ASN A 107 -11.460 -8.658 8.727 1.00 0.00 N ATOM 1793 CA ASN A 107 -10.645 -7.452 8.737 1.00 0.00 C ATOM 1794 C ASN A 107 -10.775 -6.698 7.423 1.00 0.00 C ATOM 1795 O ASN A 107 -10.670 -5.473 7.396 1.00 0.00 O ATOM 1796 CB ASN A 107 -9.176 -7.775 9.022 1.00 0.00 C ATOM 1797 CG ASN A 107 -8.897 -7.957 10.503 1.00 0.00 C ATOM 1798 OD1 ASN A 107 -8.026 -8.732 10.893 1.00 0.00 O ATOM 1799 ND2 ASN A 107 -9.620 -7.227 11.344 1.00 0.00 N ATOM 0 H ASN A 107 -10.927 -9.528 8.729 1.00 0.00 H new ATOM 0 HA ASN A 107 -11.014 -6.814 9.540 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.897 -8.684 8.489 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.549 -6.972 8.633 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.461 -7.299 12.349 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.335 -6.594 10.985 1.00 0.00 H new ATOM 1806 N MET A 108 -11.017 -7.420 6.334 1.00 0.00 N ATOM 1807 CA MET A 108 -11.274 -6.772 5.058 1.00 0.00 C ATOM 1808 C MET A 108 -12.584 -5.998 5.099 1.00 0.00 C ATOM 1809 O MET A 108 -12.736 -5.011 4.398 1.00 0.00 O ATOM 1810 CB MET A 108 -11.287 -7.774 3.905 1.00 0.00 C ATOM 1811 CG MET A 108 -9.912 -8.322 3.566 1.00 0.00 C ATOM 1812 SD MET A 108 -8.712 -7.021 3.198 1.00 0.00 S ATOM 1813 CE MET A 108 -9.395 -6.317 1.698 1.00 0.00 C ATOM 0 H MET A 108 -11.040 -8.439 6.310 1.00 0.00 H new ATOM 0 HA MET A 108 -10.457 -6.072 4.881 1.00 0.00 H new ATOM 0 HB2 MET A 108 -11.947 -8.603 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 108 -11.707 -7.294 3.021 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.548 -8.920 4.401 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.993 -8.989 2.708 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.667 -5.641 1.249 1.00 0.00 H new ATOM 0 HE2 MET A 108 -9.630 -7.116 0.995 1.00 0.00 H new ATOM 0 HE3 MET A 108 -10.304 -5.765 1.936 1.00 0.00 H new ATOM 1823 N GLU A 109 -13.528 -6.434 5.929 1.00 0.00 N ATOM 1824 CA GLU A 109 -14.760 -5.675 6.119 1.00 0.00 C ATOM 1825 C GLU A 109 -14.470 -4.369 6.840 1.00 0.00 C ATOM 1826 O GLU A 109 -15.078 -3.342 6.543 1.00 0.00 O ATOM 1827 CB GLU A 109 -15.813 -6.481 6.880 1.00 0.00 C ATOM 1828 CG GLU A 109 -16.589 -7.433 5.991 1.00 0.00 C ATOM 1829 CD GLU A 109 -17.187 -6.733 4.784 1.00 0.00 C ATOM 1830 OE1 GLU A 109 -18.203 -6.021 4.943 1.00 0.00 O ATOM 1831 OE2 GLU A 109 -16.636 -6.887 3.672 1.00 0.00 O ATOM 0 H GLU A 109 -13.466 -7.295 6.473 1.00 0.00 H new ATOM 0 HA GLU A 109 -15.166 -5.455 5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -15.325 -7.049 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -16.509 -5.795 7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.929 -8.233 5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -17.386 -7.900 6.570 1.00 0.00 H new ATOM 1838 N PHE A 110 -13.539 -4.411 7.788 1.00 0.00 N ATOM 1839 CA PHE A 110 -13.047 -3.191 8.423 1.00 0.00 C ATOM 1840 C PHE A 110 -12.360 -2.302 7.391 1.00 0.00 C ATOM 1841 O PHE A 110 -12.498 -1.085 7.414 1.00 0.00 O ATOM 1842 CB PHE A 110 -12.056 -3.506 9.548 1.00 0.00 C ATOM 1843 CG PHE A 110 -12.686 -3.999 10.816 1.00 0.00 C ATOM 1844 CD1 PHE A 110 -13.063 -3.102 11.803 1.00 0.00 C ATOM 1845 CD2 PHE A 110 -12.891 -5.350 11.029 1.00 0.00 C ATOM 1846 CE1 PHE A 110 -13.635 -3.546 12.980 1.00 0.00 C ATOM 1847 CE2 PHE A 110 -13.462 -5.800 12.204 1.00 0.00 C ATOM 1848 CZ PHE A 110 -13.835 -4.897 13.181 1.00 0.00 C ATOM 0 H PHE A 110 -13.112 -5.271 8.133 1.00 0.00 H new ATOM 0 HA PHE A 110 -13.906 -2.673 8.849 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -11.350 -4.257 9.193 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.481 -2.607 9.769 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -12.908 -2.044 11.651 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -12.602 -6.061 10.269 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.925 -2.837 13.741 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -13.617 -6.858 12.359 1.00 0.00 H new ATOM 0 HZ PHE A 110 -14.282 -5.247 14.100 1.00 0.00 H new ATOM 1858 N LEU A 111 -11.629 -2.937 6.485 1.00 0.00 N ATOM 1859 CA LEU A 111 -10.867 -2.227 5.466 1.00 0.00 C ATOM 1860 C LEU A 111 -11.796 -1.608 4.413 1.00 0.00 C ATOM 1861 O LEU A 111 -11.605 -0.466 4.007 1.00 0.00 O ATOM 1862 CB LEU A 111 -9.861 -3.197 4.826 1.00 0.00 C ATOM 1863 CG LEU A 111 -8.802 -2.570 3.912 1.00 0.00 C ATOM 1864 CD1 LEU A 111 -7.560 -3.446 3.876 1.00 0.00 C ATOM 1865 CD2 LEU A 111 -9.342 -2.388 2.504 1.00 0.00 C ATOM 0 H LEU A 111 -11.547 -3.953 6.435 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.322 -1.405 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.349 -3.735 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.417 -3.936 4.249 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.542 -1.590 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.813 -2.992 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.153 -3.542 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.822 -4.433 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.573 -1.942 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.628 -3.357 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.214 -1.734 2.530 1.00 0.00 H new ATOM 1877 N ARG A 112 -12.803 -2.359 3.982 1.00 0.00 N ATOM 1878 CA ARG A 112 -13.767 -1.873 2.993 1.00 0.00 C ATOM 1879 C ARG A 112 -14.635 -0.766 3.581 1.00 0.00 C ATOM 1880 O ARG A 112 -15.148 0.086 2.862 1.00 0.00 O ATOM 1881 CB ARG A 112 -14.663 -3.015 2.500 1.00 0.00 C ATOM 1882 CG ARG A 112 -13.909 -4.128 1.790 1.00 0.00 C ATOM 1883 CD ARG A 112 -14.837 -5.254 1.363 1.00 0.00 C ATOM 1884 NE ARG A 112 -15.800 -4.820 0.350 1.00 0.00 N ATOM 1885 CZ ARG A 112 -17.113 -5.016 0.446 1.00 0.00 C ATOM 1886 NH1 ARG A 112 -17.623 -5.640 1.504 1.00 0.00 N ATOM 1887 NH2 ARG A 112 -17.916 -4.597 -0.522 1.00 0.00 N ATOM 0 H ARG A 112 -12.976 -3.312 4.302 1.00 0.00 H new ATOM 0 HA ARG A 112 -13.203 -1.473 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.198 -3.437 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.413 -2.608 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.402 -3.723 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.137 -4.523 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.246 -6.081 0.970 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -15.373 -5.631 2.234 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.445 -4.340 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -17.007 -5.971 2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -18.630 -5.788 1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.527 -4.125 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.922 -4.746 -0.450 1.00 0.00 H new ATOM 1901 N ASN A 113 -14.780 -0.792 4.898 1.00 0.00 N ATOM 1902 CA ASN A 113 -15.622 0.171 5.589 1.00 0.00 C ATOM 1903 C ASN A 113 -14.751 1.153 6.369 1.00 0.00 C ATOM 1904 O ASN A 113 -15.207 1.809 7.306 1.00 0.00 O ATOM 1905 CB ASN A 113 -16.575 -0.578 6.530 1.00 0.00 C ATOM 1906 CG ASN A 113 -17.909 0.125 6.707 1.00 0.00 C ATOM 1907 OD1 ASN A 113 -17.995 1.354 6.712 1.00 0.00 O ATOM 1908 ND2 ASN A 113 -18.967 -0.661 6.837 1.00 0.00 N ATOM 0 H ASN A 113 -14.325 -1.470 5.509 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.211 0.736 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -16.748 -1.581 6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -16.099 -0.693 7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -19.895 -0.253 6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.854 -1.675 6.828 1.00 0.00 H new ATOM 1915 N TRP A 114 -13.493 1.251 5.954 1.00 0.00 N ATOM 1916 CA TRP A 114 -12.521 2.128 6.595 1.00 0.00 C ATOM 1917 C TRP A 114 -12.907 3.596 6.394 1.00 0.00 C ATOM 1918 O TRP A 114 -13.644 3.939 5.465 1.00 0.00 O ATOM 1919 CB TRP A 114 -11.124 1.848 6.018 1.00 0.00 C ATOM 1920 CG TRP A 114 -9.992 2.525 6.740 1.00 0.00 C ATOM 1921 CD1 TRP A 114 -9.461 2.176 7.949 1.00 0.00 C ATOM 1922 CD2 TRP A 114 -9.238 3.656 6.284 1.00 0.00 C ATOM 1923 NE1 TRP A 114 -8.431 3.028 8.275 1.00 0.00 N ATOM 1924 CE2 TRP A 114 -8.274 3.942 7.270 1.00 0.00 C ATOM 1925 CE3 TRP A 114 -9.282 4.455 5.139 1.00 0.00 C ATOM 1926 CZ2 TRP A 114 -7.369 4.992 7.146 1.00 0.00 C ATOM 1927 CZ3 TRP A 114 -8.382 5.497 5.019 1.00 0.00 C ATOM 1928 CH2 TRP A 114 -7.437 5.756 6.016 1.00 0.00 C ATOM 0 H TRP A 114 -13.119 0.725 5.164 1.00 0.00 H new ATOM 0 HA TRP A 114 -12.510 1.930 7.667 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -10.951 0.772 6.030 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -11.109 2.162 4.974 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -9.800 1.352 8.560 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -7.874 2.985 9.129 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -10.006 4.262 4.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.639 5.195 7.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -8.409 6.122 4.139 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -6.747 6.577 5.890 1.00 0.00 H new ATOM 1939 N ASN A 115 -12.414 4.451 7.274 1.00 0.00 N ATOM 1940 CA ASN A 115 -12.692 5.876 7.209 1.00 0.00 C ATOM 1941 C ASN A 115 -11.477 6.637 7.722 1.00 0.00 C ATOM 1942 O ASN A 115 -10.519 6.021 8.190 1.00 0.00 O ATOM 1943 CB ASN A 115 -13.937 6.214 8.042 1.00 0.00 C ATOM 1944 CG ASN A 115 -14.441 7.629 7.809 1.00 0.00 C ATOM 1945 OD1 ASN A 115 -14.285 8.186 6.722 1.00 0.00 O ATOM 1946 ND2 ASN A 115 -15.039 8.223 8.829 1.00 0.00 N ATOM 0 H ASN A 115 -11.812 4.178 8.051 1.00 0.00 H new ATOM 0 HA ASN A 115 -12.891 6.167 6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -14.731 5.507 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -13.706 6.086 9.099 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -15.390 9.176 8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -15.149 7.728 9.714 1.00 0.00 H new ATOM 1953 N GLY A 116 -11.507 7.962 7.635 1.00 0.00 N ATOM 1954 CA GLY A 116 -10.397 8.772 8.110 1.00 0.00 C ATOM 1955 C GLY A 116 -10.299 8.803 9.626 1.00 0.00 C ATOM 1956 O GLY A 116 -10.442 9.859 10.244 1.00 0.00 O ATOM 0 H GLY A 116 -12.284 8.493 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.466 8.382 7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.510 9.790 7.737 1.00 0.00 H new ATOM 1960 N THR A 117 -10.058 7.642 10.217 1.00 0.00 N ATOM 1961 CA THR A 117 -9.927 7.510 11.656 1.00 0.00 C ATOM 1962 C THR A 117 -8.703 6.663 11.993 1.00 0.00 C ATOM 1963 O THR A 117 -8.628 5.490 11.619 1.00 0.00 O ATOM 1964 CB THR A 117 -11.186 6.859 12.269 1.00 0.00 C ATOM 1965 OG1 THR A 117 -12.355 7.593 11.878 1.00 0.00 O ATOM 1966 CG2 THR A 117 -11.101 6.817 13.787 1.00 0.00 C ATOM 0 H THR A 117 -9.948 6.764 9.709 1.00 0.00 H new ATOM 0 HA THR A 117 -9.810 8.508 12.078 1.00 0.00 H new ATOM 0 HB THR A 117 -11.250 5.836 11.898 1.00 0.00 H new ATOM 0 HG1 THR A 117 -13.150 7.174 12.269 1.00 0.00 H new ATOM 0 HG21 THR A 117 -12.002 6.353 14.189 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.229 6.236 14.087 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.011 7.832 14.175 1.00 0.00 H new ATOM 1974 N PHE A 118 -7.749 7.260 12.696 1.00 0.00 N ATOM 1975 CA PHE A 118 -6.518 6.571 13.072 1.00 0.00 C ATOM 1976 C PHE A 118 -6.823 5.398 14.003 1.00 0.00 C ATOM 1977 O PHE A 118 -6.112 4.394 14.009 1.00 0.00 O ATOM 1978 CB PHE A 118 -5.552 7.550 13.748 1.00 0.00 C ATOM 1979 CG PHE A 118 -4.187 6.976 14.016 1.00 0.00 C ATOM 1980 CD1 PHE A 118 -3.212 6.990 13.031 1.00 0.00 C ATOM 1981 CD2 PHE A 118 -3.880 6.422 15.249 1.00 0.00 C ATOM 1982 CE1 PHE A 118 -1.958 6.462 13.271 1.00 0.00 C ATOM 1983 CE2 PHE A 118 -2.628 5.892 15.493 1.00 0.00 C ATOM 1984 CZ PHE A 118 -1.665 5.913 14.503 1.00 0.00 C ATOM 0 H PHE A 118 -7.804 8.226 13.020 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.048 6.180 12.169 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.446 8.433 13.118 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.987 7.881 14.691 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -3.435 7.418 12.065 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -4.628 6.405 16.028 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -1.207 6.479 12.495 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -2.402 5.461 16.457 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.685 5.501 14.693 1.00 0.00 H new ATOM 1994 N GLY A 119 -7.903 5.525 14.768 1.00 0.00 N ATOM 1995 CA GLY A 119 -8.293 4.479 15.696 1.00 0.00 C ATOM 1996 C GLY A 119 -8.647 3.178 15.003 1.00 0.00 C ATOM 1997 O GLY A 119 -8.605 2.110 15.614 1.00 0.00 O ATOM 0 H GLY A 119 -8.518 6.339 14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.479 4.301 16.398 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.149 4.818 16.280 1.00 0.00 H new ATOM 2001 N LEU A 120 -8.972 3.256 13.718 1.00 0.00 N ATOM 2002 CA LEU A 120 -9.324 2.070 12.949 1.00 0.00 C ATOM 2003 C LEU A 120 -8.093 1.230 12.642 1.00 0.00 C ATOM 2004 O LEU A 120 -8.203 0.082 12.218 1.00 0.00 O ATOM 2005 CB LEU A 120 -10.045 2.452 11.659 1.00 0.00 C ATOM 2006 CG LEU A 120 -11.489 2.917 11.847 1.00 0.00 C ATOM 2007 CD1 LEU A 120 -12.107 3.286 10.508 1.00 0.00 C ATOM 2008 CD2 LEU A 120 -12.306 1.828 12.533 1.00 0.00 C ATOM 0 H LEU A 120 -8.999 4.127 13.188 1.00 0.00 H new ATOM 0 HA LEU A 120 -10.001 1.470 13.557 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.483 3.246 11.167 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.039 1.593 10.988 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.492 3.804 12.480 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.135 3.615 10.660 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -11.532 4.092 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.098 2.416 9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -13.333 2.170 12.662 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -12.298 0.927 11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.872 1.607 13.508 1.00 0.00 H new ATOM 2020 N LEU A 121 -6.918 1.790 12.884 1.00 0.00 N ATOM 2021 CA LEU A 121 -5.683 1.043 12.714 1.00 0.00 C ATOM 2022 C LEU A 121 -5.436 0.179 13.945 1.00 0.00 C ATOM 2023 O LEU A 121 -4.518 -0.636 13.978 1.00 0.00 O ATOM 2024 CB LEU A 121 -4.503 1.986 12.464 1.00 0.00 C ATOM 2025 CG LEU A 121 -4.613 2.835 11.193 1.00 0.00 C ATOM 2026 CD1 LEU A 121 -3.370 3.690 11.010 1.00 0.00 C ATOM 2027 CD2 LEU A 121 -4.835 1.950 9.975 1.00 0.00 C ATOM 0 H LEU A 121 -6.794 2.753 13.197 1.00 0.00 H new ATOM 0 HA LEU A 121 -5.778 0.397 11.841 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.401 2.652 13.321 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.589 1.394 12.410 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.472 3.497 11.299 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.468 4.285 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.255 4.353 11.868 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.494 3.046 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.911 2.571 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.997 1.261 9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.757 1.382 10.101 1.00 0.00 H new ATOM 2039 N ASN A 122 -6.277 0.371 14.954 1.00 0.00 N ATOM 2040 CA ASN A 122 -6.246 -0.454 16.153 1.00 0.00 C ATOM 2041 C ASN A 122 -7.290 -1.555 16.044 1.00 0.00 C ATOM 2042 O ASN A 122 -7.192 -2.593 16.699 1.00 0.00 O ATOM 2043 CB ASN A 122 -6.510 0.396 17.400 1.00 0.00 C ATOM 2044 CG ASN A 122 -5.424 1.425 17.650 1.00 0.00 C ATOM 2045 OD1 ASN A 122 -4.253 1.204 17.340 1.00 0.00 O ATOM 2046 ND2 ASN A 122 -5.805 2.561 18.211 1.00 0.00 N ATOM 0 H ASN A 122 -6.994 1.097 14.964 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.256 -0.901 16.245 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -7.468 0.904 17.292 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -6.592 -0.257 18.269 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.119 3.291 18.401 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.785 2.707 18.453 1.00 0.00 H new ATOM 2053 N THR A 123 -8.299 -1.314 15.213 1.00 0.00 N ATOM 2054 CA THR A 123 -9.335 -2.303 14.961 1.00 0.00 C ATOM 2055 C THR A 123 -8.892 -3.262 13.860 1.00 0.00 C ATOM 2056 O THR A 123 -9.429 -4.361 13.710 1.00 0.00 O ATOM 2057 CB THR A 123 -10.668 -1.633 14.571 1.00 0.00 C ATOM 2058 OG1 THR A 123 -10.478 -0.761 13.450 1.00 0.00 O ATOM 2059 CG2 THR A 123 -11.231 -0.834 15.736 1.00 0.00 C ATOM 0 H THR A 123 -8.419 -0.439 14.703 1.00 0.00 H new ATOM 0 HA THR A 123 -9.494 -2.862 15.883 1.00 0.00 H new ATOM 0 HB THR A 123 -11.373 -2.420 14.305 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.540 -0.792 13.166 1.00 0.00 H new ATOM 0 HG21 THR A 123 -12.171 -0.370 15.438 1.00 0.00 H new ATOM 0 HG22 THR A 123 -11.406 -1.499 16.582 1.00 0.00 H new ATOM 0 HG23 THR A 123 -10.520 -0.060 16.024 1.00 0.00 H new ATOM 2067 N LEU A 124 -7.903 -2.825 13.092 1.00 0.00 N ATOM 2068 CA LEU A 124 -7.333 -3.633 12.030 1.00 0.00 C ATOM 2069 C LEU A 124 -6.180 -4.470 12.558 1.00 0.00 C ATOM 2070 O LEU A 124 -5.243 -3.942 13.155 1.00 0.00 O ATOM 2071 CB LEU A 124 -6.844 -2.739 10.886 1.00 0.00 C ATOM 2072 CG LEU A 124 -7.945 -2.149 10.001 1.00 0.00 C ATOM 2073 CD1 LEU A 124 -7.381 -1.060 9.103 1.00 0.00 C ATOM 2074 CD2 LEU A 124 -8.585 -3.243 9.162 1.00 0.00 C ATOM 0 H LEU A 124 -7.477 -1.903 13.189 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.108 -4.300 11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.263 -1.920 11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -6.167 -3.318 10.258 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.706 -1.707 10.643 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.178 -0.652 8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.957 -0.265 9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.603 -1.480 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.367 -2.812 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -7.828 -3.706 8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.020 -3.997 9.818 1.00 0.00 H new ATOM 2086 N ARG A 125 -6.257 -5.776 12.345 1.00 0.00 N ATOM 2087 CA ARG A 125 -5.159 -6.662 12.694 1.00 0.00 C ATOM 2088 C ARG A 125 -4.053 -6.516 11.656 1.00 0.00 C ATOM 2089 O ARG A 125 -3.971 -7.272 10.687 1.00 0.00 O ATOM 2090 CB ARG A 125 -5.645 -8.114 12.801 1.00 0.00 C ATOM 2091 CG ARG A 125 -4.544 -9.126 13.077 1.00 0.00 C ATOM 2092 CD ARG A 125 -5.118 -10.511 13.338 1.00 0.00 C ATOM 2093 NE ARG A 125 -4.099 -11.554 13.262 1.00 0.00 N ATOM 2094 CZ ARG A 125 -3.737 -12.330 14.285 1.00 0.00 C ATOM 2095 NH1 ARG A 125 -4.266 -12.151 15.488 1.00 0.00 N ATOM 2096 NH2 ARG A 125 -2.845 -13.290 14.099 1.00 0.00 N ATOM 0 H ARG A 125 -7.065 -6.243 11.934 1.00 0.00 H new ATOM 0 HA ARG A 125 -4.762 -6.386 13.671 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.388 -8.178 13.596 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -6.147 -8.386 11.872 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.863 -9.167 12.227 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.959 -8.804 13.939 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -5.582 -10.530 14.324 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -5.904 -10.720 12.612 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.633 -11.699 12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.956 -11.415 15.637 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.983 -12.750 16.264 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.437 -13.435 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -2.566 -13.885 14.879 1.00 0.00 H new ATOM 2110 N LEU A 126 -3.247 -5.486 11.844 1.00 0.00 N ATOM 2111 CA LEU A 126 -2.174 -5.163 10.925 1.00 0.00 C ATOM 2112 C LEU A 126 -0.927 -5.961 11.269 1.00 0.00 C ATOM 2113 O LEU A 126 -0.541 -6.059 12.436 1.00 0.00 O ATOM 2114 CB LEU A 126 -1.895 -3.661 10.977 1.00 0.00 C ATOM 2115 CG LEU A 126 -3.054 -2.780 10.500 1.00 0.00 C ATOM 2116 CD1 LEU A 126 -2.909 -1.365 11.028 1.00 0.00 C ATOM 2117 CD2 LEU A 126 -3.122 -2.771 8.982 1.00 0.00 C ATOM 0 H LEU A 126 -3.319 -4.851 12.639 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.472 -5.429 9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.645 -3.386 12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.018 -3.446 10.367 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.982 -3.198 10.890 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.743 -0.758 10.676 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.907 -1.382 12.118 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -1.973 -0.937 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.950 -2.141 8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.189 -2.379 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.276 -3.787 8.619 1.00 0.00 H new ATOM 2129 N ILE A 127 -0.314 -6.539 10.252 1.00 0.00 N ATOM 2130 CA ILE A 127 0.835 -7.409 10.437 1.00 0.00 C ATOM 2131 C ILE A 127 2.027 -6.892 9.643 1.00 0.00 C ATOM 2132 O ILE A 127 1.907 -5.934 8.878 1.00 0.00 O ATOM 2133 CB ILE A 127 0.517 -8.851 9.984 1.00 0.00 C ATOM 2134 CG1 ILE A 127 0.044 -8.853 8.525 1.00 0.00 C ATOM 2135 CG2 ILE A 127 -0.527 -9.480 10.897 1.00 0.00 C ATOM 2136 CD1 ILE A 127 -0.303 -10.224 7.991 1.00 0.00 C ATOM 0 H ILE A 127 -0.596 -6.420 9.279 1.00 0.00 H new ATOM 0 HA ILE A 127 1.076 -7.414 11.500 1.00 0.00 H new ATOM 0 HB ILE A 127 1.425 -9.450 10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.831 -8.208 8.437 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.825 -8.418 7.901 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.738 -10.496 10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -0.148 -9.506 11.919 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -1.442 -8.889 10.864 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.628 -10.139 6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 127 0.575 -10.868 8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -1.106 -10.655 8.589 1.00 0.00 H new ATOM 2148 N ARG A 128 3.173 -7.521 9.829 1.00 0.00 N ATOM 2149 CA ARG A 128 4.350 -7.179 9.051 1.00 0.00 C ATOM 2150 C ARG A 128 4.498 -8.129 7.875 1.00 0.00 C ATOM 2151 O ARG A 128 4.513 -9.349 8.041 1.00 0.00 O ATOM 2152 CB ARG A 128 5.605 -7.191 9.922 1.00 0.00 C ATOM 2153 CG ARG A 128 5.821 -5.889 10.673 1.00 0.00 C ATOM 2154 CD ARG A 128 7.071 -5.940 11.531 1.00 0.00 C ATOM 2155 NE ARG A 128 7.569 -4.601 11.842 1.00 0.00 N ATOM 2156 CZ ARG A 128 7.721 -4.116 13.074 1.00 0.00 C ATOM 2157 NH1 ARG A 128 7.351 -4.830 14.132 1.00 0.00 N ATOM 2158 NH2 ARG A 128 8.226 -2.903 13.239 1.00 0.00 N ATOM 0 H ARG A 128 3.314 -8.268 10.509 1.00 0.00 H new ATOM 0 HA ARG A 128 4.224 -6.168 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.535 -8.009 10.638 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.474 -7.390 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.901 -5.067 9.962 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.955 -5.683 11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.855 -6.472 12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.846 -6.505 11.012 1.00 0.00 H new ATOM 0 HE ARG A 128 7.818 -3.995 11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 128 6.947 -5.758 14.005 1.00 0.00 H new ATOM 0 HH12 ARG A 128 7.471 -4.450 15.071 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.495 -2.348 12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.346 -2.524 14.178 1.00 0.00 H new ATOM 2172 N ILE A 129 4.585 -7.559 6.688 1.00 0.00 N ATOM 2173 CA ILE A 129 4.670 -8.335 5.467 1.00 0.00 C ATOM 2174 C ILE A 129 5.969 -8.037 4.725 1.00 0.00 C ATOM 2175 O ILE A 129 6.390 -6.883 4.628 1.00 0.00 O ATOM 2176 CB ILE A 129 3.459 -8.042 4.554 1.00 0.00 C ATOM 2177 CG1 ILE A 129 2.178 -8.607 5.184 1.00 0.00 C ATOM 2178 CG2 ILE A 129 3.673 -8.606 3.159 1.00 0.00 C ATOM 2179 CD1 ILE A 129 0.931 -8.372 4.358 1.00 0.00 C ATOM 0 H ILE A 129 4.599 -6.549 6.544 1.00 0.00 H new ATOM 0 HA ILE A 129 4.660 -9.391 5.737 1.00 0.00 H new ATOM 0 HB ILE A 129 3.354 -6.961 4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.303 -9.679 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.040 -8.158 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 129 2.804 -8.384 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 129 4.560 -8.153 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 129 3.809 -9.686 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.069 -8.800 4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.779 -7.301 4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 129 1.046 -8.846 3.383 1.00 0.00 H new ATOM 2191 N ASN A 130 6.610 -9.087 4.226 1.00 0.00 N ATOM 2192 CA ASN A 130 7.849 -8.944 3.477 1.00 0.00 C ATOM 2193 C ASN A 130 7.627 -9.242 1.999 1.00 0.00 C ATOM 2194 O ASN A 130 7.146 -10.319 1.647 1.00 0.00 O ATOM 2195 CB ASN A 130 8.928 -9.881 4.033 1.00 0.00 C ATOM 2196 CG ASN A 130 10.231 -9.804 3.254 1.00 0.00 C ATOM 2197 OD1 ASN A 130 11.111 -9.001 3.566 1.00 0.00 O ATOM 2198 ND2 ASN A 130 10.367 -10.643 2.237 1.00 0.00 N ATOM 0 H ASN A 130 6.289 -10.050 4.328 1.00 0.00 H new ATOM 0 HA ASN A 130 8.184 -7.912 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 130 9.118 -9.630 5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 130 8.558 -10.906 4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.223 -10.638 1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.616 -11.294 2.009 1.00 0.00 H new ATOM 2205 N ASP A 131 7.954 -8.261 1.161 1.00 0.00 N ATOM 2206 CA ASP A 131 7.979 -8.411 -0.303 1.00 0.00 C ATOM 2207 C ASP A 131 6.715 -9.049 -0.885 1.00 0.00 C ATOM 2208 O ASP A 131 5.726 -8.368 -1.152 1.00 0.00 O ATOM 2209 CB ASP A 131 9.204 -9.214 -0.758 1.00 0.00 C ATOM 2210 CG ASP A 131 10.495 -8.426 -0.682 1.00 0.00 C ATOM 2211 OD1 ASP A 131 10.546 -7.303 -1.232 1.00 0.00 O ATOM 2212 OD2 ASP A 131 11.480 -8.945 -0.115 1.00 0.00 O ATOM 0 H ASP A 131 8.213 -7.326 1.477 1.00 0.00 H new ATOM 0 HA ASP A 131 8.032 -7.393 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 131 9.294 -10.108 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 131 9.050 -9.549 -1.784 1.00 0.00 H new ATOM 2217 N LYS A 132 6.748 -10.364 -1.054 1.00 0.00 N ATOM 2218 CA LYS A 132 5.735 -11.072 -1.833 1.00 0.00 C ATOM 2219 C LYS A 132 4.538 -11.464 -0.979 1.00 0.00 C ATOM 2220 O LYS A 132 3.819 -12.409 -1.302 1.00 0.00 O ATOM 2221 CB LYS A 132 6.353 -12.326 -2.449 1.00 0.00 C ATOM 2222 CG LYS A 132 7.702 -12.085 -3.108 1.00 0.00 C ATOM 2223 CD LYS A 132 8.328 -13.386 -3.574 1.00 0.00 C ATOM 2224 CE LYS A 132 9.775 -13.191 -3.992 1.00 0.00 C ATOM 2225 NZ LYS A 132 10.398 -14.470 -4.424 1.00 0.00 N ATOM 0 H LYS A 132 7.470 -10.968 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 132 5.383 -10.400 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 132 6.468 -13.082 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 132 5.665 -12.733 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 132 7.579 -11.413 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 132 8.370 -11.589 -2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 132 8.276 -14.123 -2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 132 7.757 -13.786 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 132 9.825 -12.468 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 132 10.341 -12.773 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 11.385 -14.299 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.373 -15.151 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 9.872 -14.856 -5.234 1.00 0.00 H new ATOM 2239 N GLY A 133 4.309 -10.729 0.093 1.00 0.00 N ATOM 2240 CA GLY A 133 3.223 -11.061 0.986 1.00 0.00 C ATOM 2241 C GLY A 133 3.638 -12.102 1.998 1.00 0.00 C ATOM 2242 O GLY A 133 2.812 -12.873 2.483 1.00 0.00 O ATOM 0 H GLY A 133 4.854 -9.910 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 133 2.888 -10.162 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.376 -11.431 0.409 1.00 0.00 H new ATOM 2246 N GLU A 134 4.923 -12.117 2.317 1.00 0.00 N ATOM 2247 CA GLU A 134 5.469 -13.103 3.232 1.00 0.00 C ATOM 2248 C GLU A 134 5.198 -12.680 4.673 1.00 0.00 C ATOM 2249 O GLU A 134 5.293 -11.497 5.010 1.00 0.00 O ATOM 2250 CB GLU A 134 6.969 -13.258 2.994 1.00 0.00 C ATOM 2251 CG GLU A 134 7.567 -14.503 3.623 1.00 0.00 C ATOM 2252 CD GLU A 134 9.051 -14.622 3.359 1.00 0.00 C ATOM 2253 OE1 GLU A 134 9.439 -14.756 2.177 1.00 0.00 O ATOM 2254 OE2 GLU A 134 9.836 -14.581 4.328 1.00 0.00 O ATOM 0 H GLU A 134 5.608 -11.454 1.953 1.00 0.00 H new ATOM 0 HA GLU A 134 4.987 -14.064 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 134 7.156 -13.280 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.482 -12.381 3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 134 7.392 -14.484 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 134 7.059 -15.385 3.233 1.00 0.00 H new ATOM 2261 N GLN A 135 4.860 -13.649 5.509 1.00 0.00 N ATOM 2262 CA GLN A 135 4.456 -13.377 6.880 1.00 0.00 C ATOM 2263 C GLN A 135 5.664 -13.112 7.774 1.00 0.00 C ATOM 2264 O GLN A 135 6.493 -13.998 7.997 1.00 0.00 O ATOM 2265 CB GLN A 135 3.645 -14.556 7.429 1.00 0.00 C ATOM 2266 CG GLN A 135 3.154 -14.354 8.854 1.00 0.00 C ATOM 2267 CD GLN A 135 2.226 -13.163 8.994 1.00 0.00 C ATOM 2268 OE1 GLN A 135 1.515 -12.800 8.058 1.00 0.00 O ATOM 2269 NE2 GLN A 135 2.228 -12.545 10.164 1.00 0.00 N ATOM 0 H GLN A 135 4.858 -14.638 5.260 1.00 0.00 H new ATOM 0 HA GLN A 135 3.837 -12.480 6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.786 -14.728 6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 135 4.259 -15.456 7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.635 -15.254 9.185 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.012 -14.220 9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.833 -12.877 10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.625 -11.736 10.315 1.00 0.00 H new ATOM 2278 N VAL A 136 5.759 -11.888 8.273 1.00 0.00 N ATOM 2279 CA VAL A 136 6.780 -11.532 9.245 1.00 0.00 C ATOM 2280 C VAL A 136 6.157 -11.486 10.634 1.00 0.00 C ATOM 2281 O VAL A 136 5.486 -10.518 10.996 1.00 0.00 O ATOM 2282 CB VAL A 136 7.427 -10.165 8.928 1.00 0.00 C ATOM 2283 CG1 VAL A 136 8.570 -9.869 9.889 1.00 0.00 C ATOM 2284 CG2 VAL A 136 7.910 -10.118 7.488 1.00 0.00 C ATOM 0 H VAL A 136 5.137 -11.121 8.018 1.00 0.00 H new ATOM 0 HA VAL A 136 7.563 -12.289 9.202 1.00 0.00 H new ATOM 0 HB VAL A 136 6.667 -9.394 9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.009 -8.902 9.645 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.190 -9.848 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.330 -10.645 9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.362 -9.147 7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.649 -10.902 7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.066 -10.271 6.816 1.00 0.00 H new ATOM 2294 N VAL A 137 6.356 -12.549 11.397 1.00 0.00 N ATOM 2295 CA VAL A 137 5.753 -12.662 12.717 1.00 0.00 C ATOM 2296 C VAL A 137 6.514 -11.830 13.747 1.00 0.00 C ATOM 2297 O VAL A 137 7.743 -11.907 13.844 1.00 0.00 O ATOM 2298 CB VAL A 137 5.672 -14.137 13.183 1.00 0.00 C ATOM 2299 CG1 VAL A 137 4.682 -14.911 12.329 1.00 0.00 C ATOM 2300 CG2 VAL A 137 7.041 -14.804 13.139 1.00 0.00 C ATOM 0 H VAL A 137 6.931 -13.347 11.125 1.00 0.00 H new ATOM 0 HA VAL A 137 4.738 -12.273 12.636 1.00 0.00 H new ATOM 0 HB VAL A 137 5.325 -14.143 14.216 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.638 -15.945 12.670 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.695 -14.458 12.416 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.003 -14.886 11.287 1.00 0.00 H new ATOM 0 HG21 VAL A 137 6.953 -15.838 13.472 1.00 0.00 H new ATOM 0 HG22 VAL A 137 7.424 -14.782 12.119 1.00 0.00 H new ATOM 0 HG23 VAL A 137 7.728 -14.269 13.795 1.00 0.00 H new