USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 CYS SG : rot 71:sc= 0.741 USER MOD Set 1.2: A 59 MET CE :methyl 158:sc= 0 (180deg=-0.834) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.0158 K(o=0.04,f=-6.2!) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.0554 K(o=0.04,f=-1.4!) USER MOD Set 3.1: A 21 TYR OH : rot 180:sc= 0.847 USER MOD Set 3.2: A 37 LYS NZ :NH3+ -128:sc= 1.02 (180deg=0.000797) USER MOD Set 4.1: A 32 SER OG : rot -172:sc= 1.28 USER MOD Set 4.2: A 55 GLN : amide:sc= 1.05 K(o=2.3,f=-1.6) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.217) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.17) USER MOD Single : A 29 GLN : amide:sc= 0.422 K(o=0.42,f=-6.6!) USER MOD Single : A 31 SER OG : rot -57:sc= 0.765 USER MOD Single : A 35 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-1.8) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -163:sc= -0.148 (180deg=-0.481) USER MOD Single : A 41 THR OG1 : rot -41:sc= 1.15 USER MOD Single : A 42 THR OG1 : rot 89:sc= 1.19 USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.18) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.14) USER MOD Single : A 50 SER OG : rot 108:sc= 1.24 USER MOD Single : A 51 TYR OH : rot 70:sc= -0.0501 USER MOD Single : A 53 GLN : amide:sc= -1.04 X(o=-1,f=-0.86) USER MOD Single : A 60 ASN : amide:sc= 0.584 K(o=0.58,f=-3.6!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.743 K(o=0.74,f=-0.49) USER MOD Single : A 75 HIS : no HD1:sc= 0.19 K(o=0.19,f=-4.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -132:sc= -0.0048 (180deg=-1.28) USER MOD Single : A 91 TYR OH : rot -98:sc= 1.22 USER MOD Single : A 92 GLN : amide:sc= 0.0152 X(o=0.015,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 80.700 9.533 -12.083 1.00 0.00 N ATOM 291 CA TYR A 21 79.968 8.267 -12.051 1.00 0.00 C ATOM 292 C TYR A 21 79.071 8.179 -10.812 1.00 0.00 C ATOM 293 O TYR A 21 79.367 8.778 -9.777 1.00 0.00 O ATOM 294 CB TYR A 21 80.938 7.070 -12.088 1.00 0.00 C ATOM 295 CG TYR A 21 82.267 7.289 -11.387 1.00 0.00 C ATOM 296 CD1 TYR A 21 82.332 7.788 -10.090 1.00 0.00 C ATOM 297 CD2 TYR A 21 83.463 6.974 -12.023 1.00 0.00 C ATOM 298 CE1 TYR A 21 83.544 7.968 -9.452 1.00 0.00 C ATOM 299 CE2 TYR A 21 84.678 7.153 -11.392 1.00 0.00 C ATOM 300 CZ TYR A 21 84.713 7.650 -10.106 1.00 0.00 C ATOM 301 OH TYR A 21 85.924 7.818 -9.473 1.00 0.00 O ATOM 0 HA TYR A 21 79.335 8.231 -12.938 1.00 0.00 H new ATOM 0 HB2 TYR A 21 80.445 6.210 -11.635 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.133 6.814 -13.129 1.00 0.00 H new ATOM 0 HD1 TYR A 21 81.418 8.039 -9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 21 83.441 6.582 -13.029 1.00 0.00 H new ATOM 0 HE1 TYR A 21 83.574 8.356 -8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 21 85.597 6.905 -11.903 1.00 0.00 H new ATOM 0 HH TYR A 21 86.648 7.545 -10.074 1.00 0.00 H new ATOM 311 N ILE A 22 77.971 7.438 -10.924 1.00 0.00 N ATOM 312 CA ILE A 22 77.045 7.273 -9.806 1.00 0.00 C ATOM 313 C ILE A 22 77.455 6.096 -8.917 1.00 0.00 C ATOM 314 O ILE A 22 78.223 5.226 -9.333 1.00 0.00 O ATOM 315 CB ILE A 22 75.591 7.065 -10.287 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.512 5.927 -11.308 1.00 0.00 C ATOM 317 CG2 ILE A 22 75.039 8.353 -10.881 1.00 0.00 C ATOM 318 CD1 ILE A 22 74.460 4.890 -10.979 1.00 0.00 C ATOM 0 H ILE A 22 77.700 6.944 -11.774 1.00 0.00 H new ATOM 0 HA ILE A 22 77.091 8.196 -9.227 1.00 0.00 H new ATOM 0 HB ILE A 22 74.983 6.791 -9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 22 75.301 6.347 -12.292 1.00 0.00 H new ATOM 0 HG13 ILE A 22 76.484 5.439 -11.371 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.014 8.190 -11.215 1.00 0.00 H new ATOM 0 HG22 ILE A 22 75.054 9.138 -10.125 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.653 8.655 -11.729 1.00 0.00 H new ATOM 0 HD11 ILE A 22 74.461 4.115 -11.745 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.681 4.443 -10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 22 73.479 5.365 -10.945 1.00 0.00 H new ATOM 330 N LYS A 23 76.947 6.076 -7.691 1.00 0.00 N ATOM 331 CA LYS A 23 77.263 5.006 -6.748 1.00 0.00 C ATOM 332 C LYS A 23 76.072 4.066 -6.568 1.00 0.00 C ATOM 333 O LYS A 23 75.019 4.464 -6.069 1.00 0.00 O ATOM 334 CB LYS A 23 77.688 5.591 -5.394 1.00 0.00 C ATOM 335 CG LYS A 23 78.586 6.818 -5.504 1.00 0.00 C ATOM 336 CD LYS A 23 79.232 7.161 -4.170 1.00 0.00 C ATOM 337 CE LYS A 23 79.722 8.604 -4.138 1.00 0.00 C ATOM 338 NZ LYS A 23 80.422 8.989 -5.397 1.00 0.00 N ATOM 0 H LYS A 23 76.314 6.787 -7.325 1.00 0.00 H new ATOM 0 HA LYS A 23 78.093 4.430 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.795 5.856 -4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 23 78.209 4.822 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 23 79.361 6.637 -6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 23 78.000 7.668 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 23 78.514 7.002 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 23 80.069 6.488 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 23 78.874 9.270 -3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 23 80.398 8.738 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 80.925 9.888 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 81.104 8.248 -5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 79.726 9.101 -6.161 1.00 0.00 H new ATOM 352 N LEU A 24 76.250 2.811 -6.973 1.00 0.00 N ATOM 353 CA LEU A 24 75.191 1.808 -6.873 1.00 0.00 C ATOM 354 C LEU A 24 75.289 1.013 -5.569 1.00 0.00 C ATOM 355 O LEU A 24 76.337 0.982 -4.922 1.00 0.00 O ATOM 356 CB LEU A 24 75.248 0.857 -8.077 1.00 0.00 C ATOM 357 CG LEU A 24 76.173 -0.353 -7.919 1.00 0.00 C ATOM 358 CD1 LEU A 24 75.385 -1.648 -8.046 1.00 0.00 C ATOM 359 CD2 LEU A 24 77.293 -0.307 -8.946 1.00 0.00 C ATOM 0 H LEU A 24 77.120 2.463 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 24 74.235 2.332 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 24 74.240 0.497 -8.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 75.567 1.425 -8.951 1.00 0.00 H new ATOM 0 HG LEU A 24 76.618 -0.317 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 24 76.059 -2.497 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.619 -1.685 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 24 74.911 -1.691 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.940 -1.175 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 24 76.867 -0.317 -9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 24 77.876 0.604 -8.808 1.00 0.00 H new ATOM 371 N LYS A 25 74.188 0.370 -5.194 1.00 0.00 N ATOM 372 CA LYS A 25 74.142 -0.430 -3.973 1.00 0.00 C ATOM 373 C LYS A 25 73.511 -1.799 -4.235 1.00 0.00 C ATOM 374 O LYS A 25 72.514 -1.909 -4.943 1.00 0.00 O ATOM 375 CB LYS A 25 73.349 0.309 -2.888 1.00 0.00 C ATOM 376 CG LYS A 25 73.346 -0.395 -1.539 1.00 0.00 C ATOM 377 CD LYS A 25 72.133 -0.007 -0.707 1.00 0.00 C ATOM 378 CE LYS A 25 72.400 1.235 0.130 1.00 0.00 C ATOM 379 NZ LYS A 25 71.456 1.346 1.275 1.00 0.00 N ATOM 0 H LYS A 25 73.313 0.387 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 25 75.166 -0.584 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 25 73.766 1.308 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 25 72.320 0.432 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.353 -1.474 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.256 -0.144 -0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 25 71.283 0.173 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 25 71.860 -0.835 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 25 73.423 1.207 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 25 72.314 2.122 -0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 71.800 2.069 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 70.515 1.617 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.393 0.430 1.763 1.00 0.00 H new ATOM 393 N VAL A 26 74.109 -2.842 -3.671 1.00 0.00 N ATOM 394 CA VAL A 26 73.590 -4.201 -3.833 1.00 0.00 C ATOM 395 C VAL A 26 73.111 -4.751 -2.489 1.00 0.00 C ATOM 396 O VAL A 26 73.786 -4.590 -1.471 1.00 0.00 O ATOM 397 CB VAL A 26 74.649 -5.156 -4.430 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.015 -6.480 -4.826 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.338 -4.525 -5.630 1.00 0.00 C ATOM 0 H VAL A 26 74.951 -2.777 -3.099 1.00 0.00 H new ATOM 0 HA VAL A 26 72.753 -4.145 -4.529 1.00 0.00 H new ATOM 0 HB VAL A 26 75.400 -5.343 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 26 74.777 -7.138 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 26 73.573 -6.949 -3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.240 -6.304 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 26 76.078 -5.218 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.598 -4.301 -6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.833 -3.604 -5.323 1.00 0.00 H new ATOM 409 N ILE A 27 71.948 -5.400 -2.490 1.00 0.00 N ATOM 410 CA ILE A 27 71.386 -5.960 -1.258 1.00 0.00 C ATOM 411 C ILE A 27 71.616 -7.472 -1.175 1.00 0.00 C ATOM 412 O ILE A 27 71.039 -8.245 -1.945 1.00 0.00 O ATOM 413 CB ILE A 27 69.869 -5.665 -1.139 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.608 -4.154 -1.061 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.275 -6.365 0.080 1.00 0.00 C ATOM 416 CD1 ILE A 27 70.359 -3.457 0.055 1.00 0.00 C ATOM 0 H ILE A 27 71.379 -5.551 -3.323 1.00 0.00 H new ATOM 0 HA ILE A 27 71.905 -5.476 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 27 69.383 -6.053 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 27 69.885 -3.698 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 27 68.539 -3.986 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.210 -6.144 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 27 69.417 -7.442 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 27 69.773 -6.010 0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 27 70.122 -2.393 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 27 70.065 -3.884 1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 27 71.431 -3.591 -0.089 1.00 0.00 H new ATOM 428 N GLY A 28 72.467 -7.886 -0.239 1.00 0.00 N ATOM 429 CA GLY A 28 72.753 -9.301 -0.062 1.00 0.00 C ATOM 430 C GLY A 28 71.883 -9.946 1.007 1.00 0.00 C ATOM 431 O GLY A 28 71.478 -9.288 1.966 1.00 0.00 O ATOM 0 H GLY A 28 72.964 -7.266 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 28 72.602 -9.819 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 28 73.802 -9.425 0.206 1.00 0.00 H new ATOM 435 N GLN A 29 71.613 -11.244 0.851 1.00 0.00 N ATOM 436 CA GLN A 29 70.774 -11.988 1.808 1.00 0.00 C ATOM 437 C GLN A 29 71.402 -12.054 3.206 1.00 0.00 C ATOM 438 O GLN A 29 70.699 -12.210 4.200 1.00 0.00 O ATOM 439 CB GLN A 29 70.506 -13.412 1.310 1.00 0.00 C ATOM 440 CG GLN A 29 70.008 -13.477 -0.123 1.00 0.00 C ATOM 441 CD GLN A 29 68.622 -14.082 -0.230 1.00 0.00 C ATOM 442 OE1 GLN A 29 68.467 -15.247 -0.588 1.00 0.00 O ATOM 443 NE2 GLN A 29 67.604 -13.297 0.080 1.00 0.00 N ATOM 0 H GLN A 29 71.960 -11.806 0.074 1.00 0.00 H new ATOM 0 HA GLN A 29 69.834 -11.441 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 29 71.424 -13.994 1.393 1.00 0.00 H new ATOM 0 HB3 GLN A 29 69.770 -13.882 1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 29 69.996 -12.472 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 29 70.705 -14.066 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 29 67.773 -12.335 0.373 1.00 0.00 H new ATOM 0 HE22 GLN A 29 66.650 -13.654 0.026 1.00 0.00 H new ATOM 452 N ASP A 30 72.724 -11.930 3.276 1.00 0.00 N ATOM 453 CA ASP A 30 73.434 -11.982 4.554 1.00 0.00 C ATOM 454 C ASP A 30 73.511 -10.599 5.219 1.00 0.00 C ATOM 455 O ASP A 30 74.428 -10.330 5.993 1.00 0.00 O ATOM 456 CB ASP A 30 74.839 -12.549 4.343 1.00 0.00 C ATOM 457 CG ASP A 30 74.824 -14.048 4.119 1.00 0.00 C ATOM 458 OD1 ASP A 30 74.918 -14.800 5.110 1.00 0.00 O ATOM 459 OD2 ASP A 30 74.713 -14.472 2.946 1.00 0.00 O ATOM 0 H ASP A 30 73.327 -11.793 2.465 1.00 0.00 H new ATOM 0 HA ASP A 30 72.875 -12.636 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.301 -12.060 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 30 75.456 -12.319 5.212 1.00 0.00 H new ATOM 464 N SER A 31 72.542 -9.732 4.902 1.00 0.00 N ATOM 465 CA SER A 31 72.476 -8.371 5.458 1.00 0.00 C ATOM 466 C SER A 31 73.727 -7.561 5.104 1.00 0.00 C ATOM 467 O SER A 31 74.307 -6.877 5.953 1.00 0.00 O ATOM 468 CB SER A 31 72.283 -8.416 6.980 1.00 0.00 C ATOM 469 OG SER A 31 72.178 -7.110 7.521 1.00 0.00 O ATOM 0 H SER A 31 71.784 -9.951 4.256 1.00 0.00 H new ATOM 0 HA SER A 31 71.616 -7.874 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 31 71.385 -8.985 7.219 1.00 0.00 H new ATOM 0 HB3 SER A 31 73.122 -8.937 7.441 1.00 0.00 H new ATOM 0 HG SER A 31 72.973 -6.591 7.279 1.00 0.00 H new ATOM 475 N SER A 32 74.130 -7.629 3.840 1.00 0.00 N ATOM 476 CA SER A 32 75.310 -6.910 3.372 1.00 0.00 C ATOM 477 C SER A 32 74.945 -5.855 2.330 1.00 0.00 C ATOM 478 O SER A 32 74.193 -6.128 1.391 1.00 0.00 O ATOM 479 CB SER A 32 76.329 -7.887 2.781 1.00 0.00 C ATOM 480 OG SER A 32 77.463 -7.206 2.277 1.00 0.00 O ATOM 0 H SER A 32 73.657 -8.175 3.120 1.00 0.00 H new ATOM 0 HA SER A 32 75.749 -6.404 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.640 -8.598 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 32 75.863 -8.462 1.981 1.00 0.00 H new ATOM 0 HG SER A 32 78.038 -7.838 1.797 1.00 0.00 H new ATOM 486 N GLU A 33 75.476 -4.649 2.510 1.00 0.00 N ATOM 487 CA GLU A 33 75.219 -3.544 1.590 1.00 0.00 C ATOM 488 C GLU A 33 76.531 -2.985 1.038 1.00 0.00 C ATOM 489 O GLU A 33 77.297 -2.347 1.760 1.00 0.00 O ATOM 490 CB GLU A 33 74.440 -2.428 2.296 1.00 0.00 C ATOM 491 CG GLU A 33 72.988 -2.779 2.584 1.00 0.00 C ATOM 492 CD GLU A 33 72.306 -1.756 3.470 1.00 0.00 C ATOM 493 OE1 GLU A 33 72.350 -1.919 4.707 1.00 0.00 O ATOM 494 OE2 GLU A 33 71.730 -0.786 2.926 1.00 0.00 O ATOM 0 H GLU A 33 76.090 -4.411 3.289 1.00 0.00 H new ATOM 0 HA GLU A 33 74.622 -3.926 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.939 -2.188 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.471 -1.530 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 33 72.444 -2.859 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.943 -3.757 3.063 1.00 0.00 H new ATOM 501 N ILE A 34 76.786 -3.226 -0.245 1.00 0.00 N ATOM 502 CA ILE A 34 78.015 -2.749 -0.878 1.00 0.00 C ATOM 503 C ILE A 34 77.744 -1.581 -1.827 1.00 0.00 C ATOM 504 O ILE A 34 76.809 -1.618 -2.626 1.00 0.00 O ATOM 505 CB ILE A 34 78.730 -3.878 -1.654 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.762 -5.163 -0.820 1.00 0.00 C ATOM 507 CG2 ILE A 34 80.143 -3.450 -2.035 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.488 -6.308 -1.489 1.00 0.00 C ATOM 0 H ILE A 34 76.164 -3.745 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 34 78.664 -2.407 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 34 78.173 -4.076 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 34 79.240 -4.952 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.739 -5.471 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.633 -4.256 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.097 -2.561 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.711 -3.226 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 34 79.468 -7.182 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.998 -6.548 -2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 34 80.522 -6.021 -1.680 1.00 0.00 H new ATOM 520 N HIS A 35 78.576 -0.544 -1.726 1.00 0.00 N ATOM 521 CA HIS A 35 78.445 0.640 -2.575 1.00 0.00 C ATOM 522 C HIS A 35 79.638 0.759 -3.522 1.00 0.00 C ATOM 523 O HIS A 35 80.785 0.833 -3.082 1.00 0.00 O ATOM 524 CB HIS A 35 78.339 1.901 -1.713 1.00 0.00 C ATOM 525 CG HIS A 35 77.009 2.582 -1.805 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.727 3.567 -2.726 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.876 2.413 -1.083 1.00 0.00 C ATOM 528 CE1 HIS A 35 75.482 3.977 -2.567 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.942 3.291 -1.577 1.00 0.00 N ATOM 0 H HIS A 35 79.350 -0.500 -1.063 1.00 0.00 H new ATOM 0 HA HIS A 35 77.537 0.536 -3.169 1.00 0.00 H new ATOM 0 HB2 HIS A 35 78.531 1.637 -0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 35 79.118 2.602 -2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.733 1.717 -0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 35 74.990 4.743 -3.148 1.00 0.00 H new ATOM 0 HE2 HIS A 35 73.987 3.396 -1.235 1.00 0.00 H new ATOM 537 N PHE A 36 79.364 0.778 -4.823 1.00 0.00 N ATOM 538 CA PHE A 36 80.426 0.884 -5.824 1.00 0.00 C ATOM 539 C PHE A 36 80.095 1.938 -6.883 1.00 0.00 C ATOM 540 O PHE A 36 78.930 2.178 -7.193 1.00 0.00 O ATOM 541 CB PHE A 36 80.664 -0.472 -6.492 1.00 0.00 C ATOM 542 CG PHE A 36 82.067 -0.982 -6.320 1.00 0.00 C ATOM 543 CD1 PHE A 36 82.429 -1.679 -5.180 1.00 0.00 C ATOM 544 CD2 PHE A 36 83.023 -0.762 -7.299 1.00 0.00 C ATOM 545 CE1 PHE A 36 83.720 -2.146 -5.018 1.00 0.00 C ATOM 546 CE2 PHE A 36 84.315 -1.228 -7.142 1.00 0.00 C ATOM 547 CZ PHE A 36 84.663 -1.921 -6.000 1.00 0.00 C ATOM 0 H PHE A 36 78.422 0.722 -5.210 1.00 0.00 H new ATOM 0 HA PHE A 36 81.335 1.196 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 36 79.967 -1.200 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.443 -0.389 -7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 36 81.695 -1.860 -4.409 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.756 -0.221 -8.194 1.00 0.00 H new ATOM 0 HE1 PHE A 36 83.990 -2.687 -4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 36 85.051 -1.050 -7.912 1.00 0.00 H new ATOM 0 HZ PHE A 36 85.672 -2.286 -5.875 1.00 0.00 H new ATOM 557 N LYS A 37 81.133 2.561 -7.434 1.00 0.00 N ATOM 558 CA LYS A 37 80.956 3.590 -8.456 1.00 0.00 C ATOM 559 C LYS A 37 80.917 2.984 -9.862 1.00 0.00 C ATOM 560 O LYS A 37 81.674 2.063 -10.176 1.00 0.00 O ATOM 561 CB LYS A 37 82.074 4.640 -8.353 1.00 0.00 C ATOM 562 CG LYS A 37 83.457 4.121 -8.730 1.00 0.00 C ATOM 563 CD LYS A 37 84.326 3.884 -7.503 1.00 0.00 C ATOM 564 CE LYS A 37 84.999 5.166 -7.034 1.00 0.00 C ATOM 565 NZ LYS A 37 86.231 5.474 -7.817 1.00 0.00 N ATOM 0 H LYS A 37 82.105 2.372 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 37 79.997 4.076 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.826 5.482 -8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 37 82.107 5.020 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 37 83.356 3.191 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 37 83.947 4.838 -9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 37 83.715 3.478 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 37 85.086 3.137 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 37 84.298 5.996 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 37 85.255 5.075 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 87.025 5.638 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 86.455 4.673 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 86.073 6.326 -8.392 1.00 0.00 H new ATOM 579 N VAL A 38 80.021 3.497 -10.704 1.00 0.00 N ATOM 580 CA VAL A 38 79.885 3.006 -12.075 1.00 0.00 C ATOM 581 C VAL A 38 79.104 3.996 -12.952 1.00 0.00 C ATOM 582 O VAL A 38 78.388 4.863 -12.446 1.00 0.00 O ATOM 583 CB VAL A 38 79.193 1.615 -12.097 1.00 0.00 C ATOM 584 CG1 VAL A 38 77.674 1.745 -12.119 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.682 0.785 -13.276 1.00 0.00 C ATOM 0 H VAL A 38 79.379 4.252 -10.461 1.00 0.00 H new ATOM 0 HA VAL A 38 80.890 2.907 -12.486 1.00 0.00 H new ATOM 0 HB VAL A 38 79.466 1.098 -11.177 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.224 0.752 -12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 38 77.342 2.281 -11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.369 2.295 -13.009 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.183 -0.184 -13.270 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.454 1.305 -14.206 1.00 0.00 H new ATOM 0 HG23 VAL A 38 80.759 0.639 -13.197 1.00 0.00 H new ATOM 595 N LYS A 39 79.261 3.876 -14.268 1.00 0.00 N ATOM 596 CA LYS A 39 78.561 4.752 -15.204 1.00 0.00 C ATOM 597 C LYS A 39 77.288 4.082 -15.726 1.00 0.00 C ATOM 598 O LYS A 39 77.165 2.855 -15.697 1.00 0.00 O ATOM 599 CB LYS A 39 79.476 5.124 -16.375 1.00 0.00 C ATOM 600 CG LYS A 39 80.447 6.250 -16.056 1.00 0.00 C ATOM 601 CD LYS A 39 81.143 6.756 -17.309 1.00 0.00 C ATOM 602 CE LYS A 39 82.472 7.418 -16.979 1.00 0.00 C ATOM 603 NZ LYS A 39 83.112 8.012 -18.185 1.00 0.00 N ATOM 0 H LYS A 39 79.865 3.183 -14.710 1.00 0.00 H new ATOM 0 HA LYS A 39 78.281 5.661 -14.672 1.00 0.00 H new ATOM 0 HB2 LYS A 39 80.042 4.243 -16.677 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.862 5.416 -17.227 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.911 7.071 -15.580 1.00 0.00 H new ATOM 0 HG3 LYS A 39 81.191 5.899 -15.342 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.309 5.925 -17.995 1.00 0.00 H new ATOM 0 HD3 LYS A 39 80.498 7.469 -17.822 1.00 0.00 H new ATOM 0 HE2 LYS A 39 82.314 8.196 -16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 39 83.144 6.682 -16.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 84.015 8.453 -17.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.286 7.266 -18.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.482 8.732 -18.593 1.00 0.00 H new ATOM 617 N MET A 40 76.354 4.888 -16.225 1.00 0.00 N ATOM 618 CA MET A 40 75.083 4.374 -16.743 1.00 0.00 C ATOM 619 C MET A 40 75.249 3.657 -18.098 1.00 0.00 C ATOM 620 O MET A 40 74.330 2.981 -18.558 1.00 0.00 O ATOM 621 CB MET A 40 74.077 5.518 -16.884 1.00 0.00 C ATOM 622 CG MET A 40 73.203 5.717 -15.653 1.00 0.00 C ATOM 623 SD MET A 40 72.075 4.336 -15.354 1.00 0.00 S ATOM 624 CE MET A 40 70.989 4.418 -16.780 1.00 0.00 C ATOM 0 H MET A 40 76.451 5.902 -16.283 1.00 0.00 H new ATOM 0 HA MET A 40 74.715 3.639 -16.027 1.00 0.00 H new ATOM 0 HB2 MET A 40 74.617 6.442 -17.089 1.00 0.00 H new ATOM 0 HB3 MET A 40 73.438 5.324 -17.746 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.841 5.853 -14.780 1.00 0.00 H new ATOM 0 HG3 MET A 40 72.624 6.633 -15.770 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.086 3.840 -16.583 1.00 0.00 H new ATOM 0 HE2 MET A 40 70.720 5.457 -16.974 1.00 0.00 H new ATOM 0 HE3 MET A 40 71.500 4.007 -17.651 1.00 0.00 H new ATOM 634 N THR A 41 76.414 3.807 -18.738 1.00 0.00 N ATOM 635 CA THR A 41 76.663 3.166 -20.033 1.00 0.00 C ATOM 636 C THR A 41 77.681 2.018 -19.921 1.00 0.00 C ATOM 637 O THR A 41 78.334 1.646 -20.901 1.00 0.00 O ATOM 638 CB THR A 41 77.164 4.197 -21.073 1.00 0.00 C ATOM 639 OG1 THR A 41 77.399 3.561 -22.336 1.00 0.00 O ATOM 640 CG2 THR A 41 78.440 4.878 -20.597 1.00 0.00 C ATOM 0 H THR A 41 77.193 4.362 -18.384 1.00 0.00 H new ATOM 0 HA THR A 41 75.712 2.750 -20.364 1.00 0.00 H new ATOM 0 HB THR A 41 76.389 4.954 -21.191 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.822 2.689 -22.190 1.00 0.00 H new ATOM 0 HG21 THR A 41 78.770 5.597 -21.347 1.00 0.00 H new ATOM 0 HG22 THR A 41 78.247 5.396 -19.657 1.00 0.00 H new ATOM 0 HG23 THR A 41 79.217 4.129 -20.446 1.00 0.00 H new ATOM 648 N THR A 42 77.805 1.446 -18.727 1.00 0.00 N ATOM 649 CA THR A 42 78.749 0.349 -18.492 1.00 0.00 C ATOM 650 C THR A 42 78.069 -1.019 -18.591 1.00 0.00 C ATOM 651 O THR A 42 76.849 -1.131 -18.470 1.00 0.00 O ATOM 652 CB THR A 42 79.422 0.468 -17.109 1.00 0.00 C ATOM 653 OG1 THR A 42 79.393 1.828 -16.658 1.00 0.00 O ATOM 654 CG2 THR A 42 80.866 -0.016 -17.159 1.00 0.00 C ATOM 0 H THR A 42 77.266 1.721 -17.906 1.00 0.00 H new ATOM 0 HA THR A 42 79.506 0.428 -19.272 1.00 0.00 H new ATOM 0 HB THR A 42 78.866 -0.160 -16.413 1.00 0.00 H new ATOM 0 HG1 THR A 42 78.562 1.991 -16.164 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.316 0.079 -16.171 1.00 0.00 H new ATOM 0 HG22 THR A 42 80.889 -1.061 -17.469 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.427 0.587 -17.873 1.00 0.00 H new ATOM 662 N HIS A 43 78.876 -2.057 -18.817 1.00 0.00 N ATOM 663 CA HIS A 43 78.373 -3.430 -18.925 1.00 0.00 C ATOM 664 C HIS A 43 77.878 -3.937 -17.568 1.00 0.00 C ATOM 665 O HIS A 43 78.412 -3.559 -16.525 1.00 0.00 O ATOM 666 CB HIS A 43 79.472 -4.351 -19.452 1.00 0.00 C ATOM 667 CG HIS A 43 79.449 -4.540 -20.939 1.00 0.00 C ATOM 668 ND1 HIS A 43 80.552 -4.934 -21.660 1.00 0.00 N ATOM 669 CD2 HIS A 43 78.446 -4.401 -21.837 1.00 0.00 C ATOM 670 CE1 HIS A 43 80.233 -5.031 -22.937 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.958 -4.717 -23.076 1.00 0.00 N ATOM 0 H HIS A 43 79.886 -1.973 -18.930 1.00 0.00 H new ATOM 0 HA HIS A 43 77.535 -3.433 -19.622 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.441 -3.945 -19.163 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.378 -5.325 -18.971 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.432 -4.098 -21.622 1.00 0.00 H new ATOM 0 HE1 HIS A 43 80.902 -5.319 -23.734 1.00 0.00 H new ATOM 0 HE2 HIS A 43 78.439 -4.710 -23.954 1.00 0.00 H new ATOM 679 N LEU A 44 76.874 -4.816 -17.581 1.00 0.00 N ATOM 680 CA LEU A 44 76.309 -5.336 -16.332 1.00 0.00 C ATOM 681 C LEU A 44 77.202 -6.374 -15.624 1.00 0.00 C ATOM 682 O LEU A 44 77.011 -6.633 -14.434 1.00 0.00 O ATOM 683 CB LEU A 44 74.921 -5.920 -16.590 1.00 0.00 C ATOM 684 CG LEU A 44 73.754 -5.078 -16.057 1.00 0.00 C ATOM 685 CD1 LEU A 44 73.877 -4.875 -14.553 1.00 0.00 C ATOM 686 CD2 LEU A 44 73.692 -3.736 -16.767 1.00 0.00 C ATOM 0 H LEU A 44 76.440 -5.179 -18.429 1.00 0.00 H new ATOM 0 HA LEU A 44 76.241 -4.487 -15.652 1.00 0.00 H new ATOM 0 HB2 LEU A 44 74.793 -6.052 -17.664 1.00 0.00 H new ATOM 0 HB3 LEU A 44 74.870 -6.911 -16.138 1.00 0.00 H new ATOM 0 HG LEU A 44 72.829 -5.619 -16.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 73.039 -4.275 -14.197 1.00 0.00 H new ATOM 0 HD12 LEU A 44 73.868 -5.844 -14.053 1.00 0.00 H new ATOM 0 HD13 LEU A 44 74.812 -4.360 -14.331 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.858 -3.155 -16.374 1.00 0.00 H new ATOM 0 HD22 LEU A 44 74.623 -3.193 -16.601 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.551 -3.896 -17.836 1.00 0.00 H new ATOM 698 N LYS A 45 78.177 -6.962 -16.327 1.00 0.00 N ATOM 699 CA LYS A 45 79.062 -7.952 -15.705 1.00 0.00 C ATOM 700 C LYS A 45 79.960 -7.304 -14.647 1.00 0.00 C ATOM 701 O LYS A 45 80.324 -7.941 -13.658 1.00 0.00 O ATOM 702 CB LYS A 45 79.918 -8.669 -16.756 1.00 0.00 C ATOM 703 CG LYS A 45 80.572 -7.746 -17.774 1.00 0.00 C ATOM 704 CD LYS A 45 82.071 -7.630 -17.546 1.00 0.00 C ATOM 705 CE LYS A 45 82.827 -8.752 -18.238 1.00 0.00 C ATOM 706 NZ LYS A 45 84.005 -9.200 -17.445 1.00 0.00 N ATOM 0 H LYS A 45 78.371 -6.774 -17.310 1.00 0.00 H new ATOM 0 HA LYS A 45 78.428 -8.691 -15.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.696 -9.237 -16.246 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.294 -9.389 -17.285 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.385 -8.122 -18.780 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.117 -6.757 -17.714 1.00 0.00 H new ATOM 0 HD2 LYS A 45 82.424 -6.668 -17.919 1.00 0.00 H new ATOM 0 HD3 LYS A 45 82.281 -7.654 -16.477 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.156 -9.596 -18.400 1.00 0.00 H new ATOM 0 HE3 LYS A 45 83.158 -8.415 -19.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 84.247 -10.178 -17.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 84.814 -8.578 -17.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 83.777 -9.158 -16.431 1.00 0.00 H new ATOM 720 N LYS A 46 80.296 -6.030 -14.852 1.00 0.00 N ATOM 721 CA LYS A 46 81.142 -5.293 -13.913 1.00 0.00 C ATOM 722 C LYS A 46 80.422 -5.065 -12.582 1.00 0.00 C ATOM 723 O LYS A 46 81.051 -5.018 -11.524 1.00 0.00 O ATOM 724 CB LYS A 46 81.556 -3.948 -14.517 1.00 0.00 C ATOM 725 CG LYS A 46 83.050 -3.834 -14.786 1.00 0.00 C ATOM 726 CD LYS A 46 83.808 -3.388 -13.545 1.00 0.00 C ATOM 727 CE LYS A 46 85.208 -3.980 -13.504 1.00 0.00 C ATOM 728 NZ LYS A 46 86.178 -3.072 -12.835 1.00 0.00 N ATOM 0 H LYS A 46 79.995 -5.487 -15.661 1.00 0.00 H new ATOM 0 HA LYS A 46 82.033 -5.892 -13.723 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.015 -3.797 -15.451 1.00 0.00 H new ATOM 0 HB3 LYS A 46 81.255 -3.148 -13.841 1.00 0.00 H new ATOM 0 HG2 LYS A 46 83.435 -4.797 -15.122 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.222 -3.123 -15.594 1.00 0.00 H new ATOM 0 HD2 LYS A 46 83.871 -2.300 -13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 46 83.258 -3.690 -12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 46 85.183 -4.934 -12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 46 85.545 -4.185 -14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 87.120 -3.514 -12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 86.222 -2.170 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 85.871 -2.896 -11.857 1.00 0.00 H new ATOM 742 N LEU A 47 79.098 -4.934 -12.646 1.00 0.00 N ATOM 743 CA LEU A 47 78.281 -4.721 -11.450 1.00 0.00 C ATOM 744 C LEU A 47 78.260 -5.976 -10.573 1.00 0.00 C ATOM 745 O LEU A 47 78.454 -5.902 -9.359 1.00 0.00 O ATOM 746 CB LEU A 47 76.852 -4.341 -11.852 1.00 0.00 C ATOM 747 CG LEU A 47 76.490 -2.867 -11.669 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.131 -2.018 -12.755 1.00 0.00 C ATOM 749 CD2 LEU A 47 74.979 -2.684 -11.676 1.00 0.00 C ATOM 0 H LEU A 47 78.566 -4.972 -13.515 1.00 0.00 H new ATOM 0 HA LEU A 47 78.722 -3.907 -10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 47 76.704 -4.607 -12.899 1.00 0.00 H new ATOM 0 HB3 LEU A 47 76.156 -4.944 -11.269 1.00 0.00 H new ATOM 0 HG LEU A 47 76.875 -2.538 -10.704 1.00 0.00 H new ATOM 0 HD11 LEU A 47 76.861 -0.973 -12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 47 78.215 -2.123 -12.707 1.00 0.00 H new ATOM 0 HD13 LEU A 47 76.778 -2.349 -13.732 1.00 0.00 H new ATOM 0 HD21 LEU A 47 74.740 -1.629 -11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 47 74.575 -3.032 -12.627 1.00 0.00 H new ATOM 0 HD23 LEU A 47 74.539 -3.260 -10.862 1.00 0.00 H new ATOM 761 N LYS A 48 78.034 -7.128 -11.205 1.00 0.00 N ATOM 762 CA LYS A 48 77.987 -8.404 -10.493 1.00 0.00 C ATOM 763 C LYS A 48 79.376 -8.829 -10.004 1.00 0.00 C ATOM 764 O LYS A 48 79.535 -9.253 -8.859 1.00 0.00 O ATOM 765 CB LYS A 48 77.402 -9.491 -11.401 1.00 0.00 C ATOM 766 CG LYS A 48 75.882 -9.532 -11.407 1.00 0.00 C ATOM 767 CD LYS A 48 75.340 -10.168 -12.680 1.00 0.00 C ATOM 768 CE LYS A 48 75.113 -11.663 -12.514 1.00 0.00 C ATOM 769 NZ LYS A 48 73.811 -12.099 -13.097 1.00 0.00 N ATOM 0 H LYS A 48 77.880 -7.203 -12.211 1.00 0.00 H new ATOM 0 HA LYS A 48 77.348 -8.273 -9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.756 -9.330 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 48 77.781 -10.462 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 48 75.530 -10.093 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 48 75.490 -8.519 -11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.402 -9.687 -12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 48 76.039 -9.995 -13.498 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.926 -12.208 -12.994 1.00 0.00 H new ATOM 0 HE3 LYS A 48 75.139 -11.918 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 73.829 -13.126 -13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 73.040 -11.865 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 73.655 -11.610 -14.002 1.00 0.00 H new ATOM 783 N GLU A 49 80.378 -8.699 -10.875 1.00 0.00 N ATOM 784 CA GLU A 49 81.756 -9.076 -10.539 1.00 0.00 C ATOM 785 C GLU A 49 82.305 -8.281 -9.351 1.00 0.00 C ATOM 786 O GLU A 49 83.019 -8.825 -8.514 1.00 0.00 O ATOM 787 CB GLU A 49 82.671 -8.886 -11.752 1.00 0.00 C ATOM 788 CG GLU A 49 82.878 -10.152 -12.567 1.00 0.00 C ATOM 789 CD GLU A 49 83.926 -9.986 -13.650 1.00 0.00 C ATOM 790 OE1 GLU A 49 85.124 -10.166 -13.351 1.00 0.00 O ATOM 791 OE2 GLU A 49 83.548 -9.677 -14.803 1.00 0.00 O ATOM 0 H GLU A 49 80.263 -8.335 -11.821 1.00 0.00 H new ATOM 0 HA GLU A 49 81.736 -10.127 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.249 -8.115 -12.397 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.640 -8.522 -11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.174 -10.963 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 49 81.932 -10.444 -13.024 1.00 0.00 H new ATOM 798 N SER A 50 81.955 -6.996 -9.272 1.00 0.00 N ATOM 799 CA SER A 50 82.434 -6.139 -8.182 1.00 0.00 C ATOM 800 C SER A 50 81.796 -6.543 -6.855 1.00 0.00 C ATOM 801 O SER A 50 82.465 -6.602 -5.822 1.00 0.00 O ATOM 802 CB SER A 50 82.129 -4.668 -8.474 1.00 0.00 C ATOM 803 OG SER A 50 82.745 -4.245 -9.679 1.00 0.00 O ATOM 0 H SER A 50 81.347 -6.527 -9.943 1.00 0.00 H new ATOM 0 HA SER A 50 83.514 -6.268 -8.108 1.00 0.00 H new ATOM 0 HB2 SER A 50 81.051 -4.525 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.480 -4.050 -7.647 1.00 0.00 H new ATOM 0 HG SER A 50 82.061 -4.119 -10.369 1.00 0.00 H new ATOM 809 N TYR A 51 80.496 -6.815 -6.899 1.00 0.00 N ATOM 810 CA TYR A 51 79.749 -7.227 -5.709 1.00 0.00 C ATOM 811 C TYR A 51 80.275 -8.553 -5.127 1.00 0.00 C ATOM 812 O TYR A 51 80.427 -8.683 -3.912 1.00 0.00 O ATOM 813 CB TYR A 51 78.244 -7.336 -6.027 1.00 0.00 C ATOM 814 CG TYR A 51 77.510 -8.366 -5.201 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.227 -8.142 -3.861 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.104 -9.566 -5.766 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.566 -9.087 -3.104 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.438 -10.518 -5.016 1.00 0.00 C ATOM 819 CZ TYR A 51 76.172 -10.274 -3.685 1.00 0.00 C ATOM 820 OH TYR A 51 75.514 -11.218 -2.932 1.00 0.00 O ATOM 0 H TYR A 51 79.933 -6.758 -7.748 1.00 0.00 H new ATOM 0 HA TYR A 51 79.896 -6.458 -4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 51 77.779 -6.363 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.124 -7.580 -7.082 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.529 -7.212 -3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.311 -9.760 -6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.358 -8.898 -2.061 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.128 -11.448 -5.470 1.00 0.00 H new ATOM 0 HH TYR A 51 74.615 -10.895 -2.715 1.00 0.00 H new ATOM 830 N CYS A 52 80.582 -9.526 -5.992 1.00 0.00 N ATOM 831 CA CYS A 52 81.071 -10.828 -5.525 1.00 0.00 C ATOM 832 C CYS A 52 82.519 -10.732 -5.060 1.00 0.00 C ATOM 833 O CYS A 52 82.950 -11.468 -4.171 1.00 0.00 O ATOM 834 CB CYS A 52 80.953 -11.896 -6.622 1.00 0.00 C ATOM 835 SG CYS A 52 79.310 -12.016 -7.369 1.00 0.00 S ATOM 0 H CYS A 52 80.502 -9.439 -7.005 1.00 0.00 H new ATOM 0 HA CYS A 52 80.446 -11.123 -4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.680 -11.679 -7.404 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.219 -12.865 -6.200 1.00 0.00 H new ATOM 0 HG CYS A 52 79.092 -10.969 -8.108 1.00 0.00 H new ATOM 841 N GLN A 53 83.258 -9.810 -5.667 1.00 0.00 N ATOM 842 CA GLN A 53 84.660 -9.591 -5.335 1.00 0.00 C ATOM 843 C GLN A 53 84.830 -9.033 -3.923 1.00 0.00 C ATOM 844 O GLN A 53 85.732 -9.443 -3.189 1.00 0.00 O ATOM 845 CB GLN A 53 85.278 -8.630 -6.347 1.00 0.00 C ATOM 846 CG GLN A 53 86.328 -9.262 -7.237 1.00 0.00 C ATOM 847 CD GLN A 53 86.226 -10.777 -7.318 1.00 0.00 C ATOM 848 OE1 GLN A 53 85.475 -11.321 -8.124 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.990 -11.468 -6.486 1.00 0.00 N ATOM 0 H GLN A 53 82.903 -9.196 -6.400 1.00 0.00 H new ATOM 0 HA GLN A 53 85.169 -10.554 -5.373 1.00 0.00 H new ATOM 0 HB2 GLN A 53 84.486 -8.219 -6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.727 -7.794 -5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 53 86.240 -8.846 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 53 87.317 -8.992 -6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 53 87.601 -10.981 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.967 -12.488 -6.500 1.00 0.00 H new ATOM 858 N ARG A 54 83.963 -8.098 -3.549 1.00 0.00 N ATOM 859 CA ARG A 54 84.023 -7.487 -2.224 1.00 0.00 C ATOM 860 C ARG A 54 83.665 -8.493 -1.124 1.00 0.00 C ATOM 861 O ARG A 54 84.259 -8.485 -0.049 1.00 0.00 O ATOM 862 CB ARG A 54 83.092 -6.277 -2.152 1.00 0.00 C ATOM 863 CG ARG A 54 83.799 -4.950 -2.382 1.00 0.00 C ATOM 864 CD ARG A 54 83.884 -4.131 -1.101 1.00 0.00 C ATOM 865 NE ARG A 54 84.641 -4.819 -0.056 1.00 0.00 N ATOM 866 CZ ARG A 54 85.245 -4.205 0.946 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.195 -2.900 1.055 1.00 0.00 N ATOM 868 NH2 ARG A 54 85.901 -4.897 1.843 1.00 0.00 N ATOM 0 H ARG A 54 83.212 -7.747 -4.143 1.00 0.00 H new ATOM 0 HA ARG A 54 85.049 -7.158 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.302 -6.392 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.610 -6.258 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.803 -5.133 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.267 -4.381 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 54 84.354 -3.171 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 54 82.878 -3.920 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 54 84.707 -5.836 -0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.687 -2.350 0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 54 85.664 -2.435 1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 54 85.947 -5.913 1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 54 86.366 -4.420 2.615 1.00 0.00 H new ATOM 882 N GLN A 55 82.679 -9.348 -1.396 1.00 0.00 N ATOM 883 CA GLN A 55 82.262 -10.369 -0.427 1.00 0.00 C ATOM 884 C GLN A 55 83.258 -11.531 -0.370 1.00 0.00 C ATOM 885 O GLN A 55 83.623 -11.994 0.711 1.00 0.00 O ATOM 886 CB GLN A 55 80.867 -10.914 -0.762 1.00 0.00 C ATOM 887 CG GLN A 55 79.823 -9.839 -1.024 1.00 0.00 C ATOM 888 CD GLN A 55 78.756 -9.789 0.052 1.00 0.00 C ATOM 889 OE1 GLN A 55 78.874 -9.051 1.026 1.00 0.00 O ATOM 890 NE2 GLN A 55 77.703 -10.570 -0.120 1.00 0.00 N ATOM 0 H GLN A 55 82.156 -9.357 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 55 82.233 -9.884 0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.941 -11.554 -1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.527 -11.541 0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.315 -8.868 -1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.352 -10.023 -1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 55 77.642 -11.169 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 55 76.952 -10.573 0.570 1.00 0.00 H new ATOM 899 N GLY A 56 83.688 -12.010 -1.537 1.00 0.00 N ATOM 900 CA GLY A 56 84.628 -13.117 -1.589 1.00 0.00 C ATOM 901 C GLY A 56 83.930 -14.465 -1.627 1.00 0.00 C ATOM 902 O GLY A 56 84.389 -15.429 -1.016 1.00 0.00 O ATOM 0 H GLY A 56 83.401 -11.650 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.260 -13.013 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 56 85.284 -13.075 -0.720 1.00 0.00 H new ATOM 906 N VAL A 57 82.817 -14.530 -2.353 1.00 0.00 N ATOM 907 CA VAL A 57 82.040 -15.768 -2.465 1.00 0.00 C ATOM 908 C VAL A 57 81.942 -16.234 -3.921 1.00 0.00 C ATOM 909 O VAL A 57 82.107 -15.435 -4.847 1.00 0.00 O ATOM 910 CB VAL A 57 80.613 -15.597 -1.892 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.618 -15.767 -0.380 1.00 0.00 C ATOM 912 CG2 VAL A 57 80.025 -14.248 -2.278 1.00 0.00 C ATOM 0 H VAL A 57 82.431 -13.742 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 57 82.568 -16.522 -1.882 1.00 0.00 H new ATOM 0 HB VAL A 57 79.983 -16.374 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.605 -15.643 0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.982 -16.763 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 57 81.270 -15.017 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 57 79.022 -14.156 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.656 -13.450 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.976 -14.170 -3.364 1.00 0.00 H new ATOM 922 N PRO A 58 81.683 -17.540 -4.143 1.00 0.00 N ATOM 923 CA PRO A 58 81.559 -18.108 -5.495 1.00 0.00 C ATOM 924 C PRO A 58 80.395 -17.505 -6.284 1.00 0.00 C ATOM 925 O PRO A 58 79.345 -17.190 -5.724 1.00 0.00 O ATOM 926 CB PRO A 58 81.308 -19.601 -5.244 1.00 0.00 C ATOM 927 CG PRO A 58 81.762 -19.846 -3.846 1.00 0.00 C ATOM 928 CD PRO A 58 81.507 -18.568 -3.102 1.00 0.00 C ATOM 0 HA PRO A 58 82.447 -17.904 -6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.253 -19.848 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 58 81.862 -20.218 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.215 -20.675 -3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 58 82.819 -20.110 -3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.505 -18.543 -2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.208 -18.433 -2.278 1.00 0.00 H new ATOM 936 N MET A 59 80.587 -17.363 -7.595 1.00 0.00 N ATOM 937 CA MET A 59 79.560 -16.795 -8.472 1.00 0.00 C ATOM 938 C MET A 59 78.344 -17.718 -8.593 1.00 0.00 C ATOM 939 O MET A 59 77.224 -17.260 -8.811 1.00 0.00 O ATOM 940 CB MET A 59 80.144 -16.521 -9.859 1.00 0.00 C ATOM 941 CG MET A 59 80.454 -15.052 -10.108 1.00 0.00 C ATOM 942 SD MET A 59 79.035 -14.144 -10.750 1.00 0.00 S ATOM 943 CE MET A 59 79.807 -12.599 -11.222 1.00 0.00 C ATOM 0 H MET A 59 81.445 -17.634 -8.075 1.00 0.00 H new ATOM 0 HA MET A 59 79.227 -15.858 -8.025 1.00 0.00 H new ATOM 0 HB2 MET A 59 81.058 -17.103 -9.981 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.441 -16.869 -10.616 1.00 0.00 H new ATOM 0 HG2 MET A 59 80.785 -14.591 -9.177 1.00 0.00 H new ATOM 0 HG3 MET A 59 81.281 -14.973 -10.814 1.00 0.00 H new ATOM 0 HE1 MET A 59 79.190 -12.096 -11.966 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.910 -11.961 -10.345 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.793 -12.798 -11.643 1.00 0.00 H new ATOM 953 N ASN A 60 78.567 -19.021 -8.438 1.00 0.00 N ATOM 954 CA ASN A 60 77.488 -20.006 -8.530 1.00 0.00 C ATOM 955 C ASN A 60 76.843 -20.266 -7.161 1.00 0.00 C ATOM 956 O ASN A 60 76.371 -21.369 -6.881 1.00 0.00 O ATOM 957 CB ASN A 60 78.018 -21.317 -9.124 1.00 0.00 C ATOM 958 CG ASN A 60 79.214 -21.870 -8.368 1.00 0.00 C ATOM 959 OD1 ASN A 60 80.247 -21.213 -8.245 1.00 0.00 O ATOM 960 ND2 ASN A 60 79.083 -23.082 -7.858 1.00 0.00 N ATOM 0 H ASN A 60 79.486 -19.421 -8.248 1.00 0.00 H new ATOM 0 HA ASN A 60 76.720 -19.599 -9.187 1.00 0.00 H new ATOM 0 HB2 ASN A 60 77.220 -22.059 -9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.298 -21.151 -10.164 1.00 0.00 H new ATOM 0 HD21 ASN A 60 79.855 -23.504 -7.341 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.210 -23.596 -7.981 1.00 0.00 H new ATOM 967 N SER A 61 76.830 -19.243 -6.308 1.00 0.00 N ATOM 968 CA SER A 61 76.237 -19.363 -4.977 1.00 0.00 C ATOM 969 C SER A 61 75.110 -18.352 -4.769 1.00 0.00 C ATOM 970 O SER A 61 74.196 -18.587 -3.976 1.00 0.00 O ATOM 971 CB SER A 61 77.304 -19.181 -3.892 1.00 0.00 C ATOM 972 OG SER A 61 76.714 -18.877 -2.636 1.00 0.00 O ATOM 0 H SER A 61 77.222 -18.324 -6.514 1.00 0.00 H new ATOM 0 HA SER A 61 75.814 -20.365 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.898 -20.091 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.986 -18.381 -4.180 1.00 0.00 H new ATOM 0 HG SER A 61 77.417 -18.768 -1.962 1.00 0.00 H new ATOM 978 N LEU A 62 75.186 -17.218 -5.461 1.00 0.00 N ATOM 979 CA LEU A 62 74.163 -16.180 -5.340 1.00 0.00 C ATOM 980 C LEU A 62 73.683 -15.712 -6.717 1.00 0.00 C ATOM 981 O LEU A 62 74.486 -15.464 -7.615 1.00 0.00 O ATOM 982 CB LEU A 62 74.694 -14.991 -4.530 1.00 0.00 C ATOM 983 CG LEU A 62 76.167 -15.078 -4.121 1.00 0.00 C ATOM 984 CD1 LEU A 62 77.019 -14.156 -4.980 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.328 -14.737 -2.648 1.00 0.00 C ATOM 0 H LEU A 62 75.941 -16.994 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 62 73.312 -16.611 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.550 -14.082 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.090 -14.889 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 62 76.508 -16.101 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 62 78.062 -14.233 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.927 -14.446 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.680 -13.127 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.380 -14.803 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.969 -13.724 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.750 -15.439 -2.047 1.00 0.00 H new ATOM 997 N ARG A 63 72.369 -15.588 -6.870 1.00 0.00 N ATOM 998 CA ARG A 63 71.777 -15.154 -8.136 1.00 0.00 C ATOM 999 C ARG A 63 71.292 -13.706 -8.057 1.00 0.00 C ATOM 1000 O ARG A 63 70.509 -13.350 -7.177 1.00 0.00 O ATOM 1001 CB ARG A 63 70.604 -16.067 -8.514 1.00 0.00 C ATOM 1002 CG ARG A 63 70.939 -17.550 -8.454 1.00 0.00 C ATOM 1003 CD ARG A 63 69.867 -18.393 -9.128 1.00 0.00 C ATOM 1004 NE ARG A 63 70.400 -19.172 -10.244 1.00 0.00 N ATOM 1005 CZ ARG A 63 69.810 -20.246 -10.744 1.00 0.00 C ATOM 1006 NH1 ARG A 63 68.686 -20.689 -10.235 1.00 0.00 N ATOM 1007 NH2 ARG A 63 70.350 -20.881 -11.754 1.00 0.00 N ATOM 0 H ARG A 63 71.690 -15.782 -6.133 1.00 0.00 H new ATOM 0 HA ARG A 63 72.551 -15.217 -8.901 1.00 0.00 H new ATOM 0 HB2 ARG A 63 69.768 -15.865 -7.845 1.00 0.00 H new ATOM 0 HB3 ARG A 63 70.272 -15.819 -9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 63 71.900 -17.727 -8.938 1.00 0.00 H new ATOM 0 HG3 ARG A 63 71.045 -17.858 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 63 69.423 -19.067 -8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 63 69.069 -17.744 -9.488 1.00 0.00 H new ATOM 0 HE ARG A 63 71.280 -18.870 -10.663 1.00 0.00 H new ATOM 0 HH11 ARG A 63 68.258 -20.205 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 63 68.240 -21.518 -10.628 1.00 0.00 H new ATOM 0 HH21 ARG A 63 71.226 -20.548 -12.156 1.00 0.00 H new ATOM 0 HH22 ARG A 63 69.894 -21.709 -12.139 1.00 0.00 H new ATOM 1021 N LEU A 64 71.761 -12.876 -8.983 1.00 0.00 N ATOM 1022 CA LEU A 64 71.372 -11.465 -9.019 1.00 0.00 C ATOM 1023 C LEU A 64 70.278 -11.226 -10.061 1.00 0.00 C ATOM 1024 O LEU A 64 70.440 -11.565 -11.233 1.00 0.00 O ATOM 1025 CB LEU A 64 72.588 -10.583 -9.325 1.00 0.00 C ATOM 1026 CG LEU A 64 73.565 -10.395 -8.160 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.746 -11.349 -8.285 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.047 -8.955 -8.097 1.00 0.00 C ATOM 0 H LEU A 64 72.411 -13.153 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 64 70.978 -11.199 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.129 -11.016 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.235 -9.602 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 64 73.039 -10.625 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.426 -11.197 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.385 -12.378 -8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.273 -11.156 -9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.740 -8.839 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.553 -8.700 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 64 73.194 -8.292 -7.954 1.00 0.00 H new ATOM 1040 N LEU A 65 69.167 -10.636 -9.625 1.00 0.00 N ATOM 1041 CA LEU A 65 68.044 -10.362 -10.528 1.00 0.00 C ATOM 1042 C LEU A 65 67.399 -8.997 -10.246 1.00 0.00 C ATOM 1043 O LEU A 65 67.524 -8.446 -9.150 1.00 0.00 O ATOM 1044 CB LEU A 65 67.007 -11.521 -10.501 1.00 0.00 C ATOM 1045 CG LEU A 65 65.990 -11.602 -9.332 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.621 -11.308 -7.980 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.794 -10.692 -9.576 1.00 0.00 C ATOM 0 H LEU A 65 69.018 -10.339 -8.661 1.00 0.00 H new ATOM 0 HA LEU A 65 68.442 -10.308 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.437 -11.472 -11.429 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.563 -12.459 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 65 65.641 -12.634 -9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 65 65.862 -11.379 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.412 -12.031 -7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.042 -10.302 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.100 -10.771 -8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.134 -9.661 -9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.290 -10.992 -10.495 1.00 0.00 H new ATOM 1059 N PHE A 66 66.720 -8.453 -11.254 1.00 0.00 N ATOM 1060 CA PHE A 66 66.061 -7.155 -11.125 1.00 0.00 C ATOM 1061 C PHE A 66 64.656 -7.182 -11.728 1.00 0.00 C ATOM 1062 O PHE A 66 64.493 -7.453 -12.916 1.00 0.00 O ATOM 1063 CB PHE A 66 66.900 -6.065 -11.801 1.00 0.00 C ATOM 1064 CG PHE A 66 66.405 -4.669 -11.550 1.00 0.00 C ATOM 1065 CD1 PHE A 66 66.447 -4.121 -10.278 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.896 -3.905 -12.588 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.991 -2.838 -10.046 1.00 0.00 C ATOM 1068 CE2 PHE A 66 65.437 -2.621 -12.361 1.00 0.00 C ATOM 1069 CZ PHE A 66 65.486 -2.087 -11.089 1.00 0.00 C ATOM 0 H PHE A 66 66.612 -8.891 -12.169 1.00 0.00 H new ATOM 0 HA PHE A 66 65.969 -6.931 -10.062 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.929 -6.143 -11.450 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.915 -6.246 -12.876 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.841 -4.704 -9.458 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.857 -4.317 -13.585 1.00 0.00 H new ATOM 0 HE1 PHE A 66 66.029 -2.423 -9.050 1.00 0.00 H new ATOM 0 HE2 PHE A 66 65.041 -2.036 -13.178 1.00 0.00 H new ATOM 0 HZ PHE A 66 65.130 -1.083 -10.910 1.00 0.00 H new ATOM 1079 N GLU A 67 63.652 -6.919 -10.882 1.00 0.00 N ATOM 1080 CA GLU A 67 62.229 -6.889 -11.279 1.00 0.00 C ATOM 1081 C GLU A 67 61.754 -8.186 -11.967 1.00 0.00 C ATOM 1082 O GLU A 67 60.709 -8.208 -12.622 1.00 0.00 O ATOM 1083 CB GLU A 67 61.931 -5.645 -12.148 1.00 0.00 C ATOM 1084 CG GLU A 67 62.101 -5.843 -13.652 1.00 0.00 C ATOM 1085 CD GLU A 67 60.854 -5.477 -14.439 1.00 0.00 C ATOM 1086 OE1 GLU A 67 60.098 -4.595 -13.981 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.638 -6.069 -15.517 1.00 0.00 O ATOM 0 H GLU A 67 63.800 -6.719 -9.893 1.00 0.00 H new ATOM 0 HA GLU A 67 61.652 -6.819 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.908 -5.324 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.586 -4.834 -11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.937 -5.237 -14.001 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.358 -6.884 -13.850 1.00 0.00 H new ATOM 1094 N GLY A 68 62.500 -9.274 -11.786 1.00 0.00 N ATOM 1095 CA GLY A 68 62.122 -10.545 -12.386 1.00 0.00 C ATOM 1096 C GLY A 68 62.909 -10.895 -13.643 1.00 0.00 C ATOM 1097 O GLY A 68 62.725 -11.972 -14.208 1.00 0.00 O ATOM 0 H GLY A 68 63.358 -9.299 -11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 68 62.260 -11.338 -11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 68 61.060 -10.518 -12.630 1.00 0.00 H new ATOM 1101 N GLN A 69 63.786 -9.999 -14.086 1.00 0.00 N ATOM 1102 CA GLN A 69 64.582 -10.250 -15.289 1.00 0.00 C ATOM 1103 C GLN A 69 66.007 -10.700 -14.944 1.00 0.00 C ATOM 1104 O GLN A 69 66.528 -10.396 -13.867 1.00 0.00 O ATOM 1105 CB GLN A 69 64.608 -9.005 -16.188 1.00 0.00 C ATOM 1106 CG GLN A 69 65.656 -7.974 -15.798 1.00 0.00 C ATOM 1107 CD GLN A 69 65.354 -6.597 -16.355 1.00 0.00 C ATOM 1108 OE1 GLN A 69 65.354 -6.388 -17.564 1.00 0.00 O ATOM 1109 NE2 GLN A 69 65.093 -5.648 -15.472 1.00 0.00 N ATOM 0 H GLN A 69 63.965 -9.101 -13.637 1.00 0.00 H new ATOM 0 HA GLN A 69 64.106 -11.065 -15.835 1.00 0.00 H new ATOM 0 HB2 GLN A 69 64.788 -9.318 -17.217 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.625 -8.534 -16.165 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.717 -7.917 -14.711 1.00 0.00 H new ATOM 0 HG3 GLN A 69 66.632 -8.301 -16.156 1.00 0.00 H new ATOM 0 HE21 GLN A 69 65.103 -5.862 -14.475 1.00 0.00 H new ATOM 0 HE22 GLN A 69 64.882 -4.701 -15.788 1.00 0.00 H new ATOM 1118 N ARG A 70 66.625 -11.428 -15.873 1.00 0.00 N ATOM 1119 CA ARG A 70 67.985 -11.936 -15.690 1.00 0.00 C ATOM 1120 C ARG A 70 69.027 -10.919 -16.169 1.00 0.00 C ATOM 1121 O ARG A 70 68.883 -10.325 -17.238 1.00 0.00 O ATOM 1122 CB ARG A 70 68.154 -13.252 -16.461 1.00 0.00 C ATOM 1123 CG ARG A 70 68.853 -14.353 -15.675 1.00 0.00 C ATOM 1124 CD ARG A 70 68.678 -15.707 -16.343 1.00 0.00 C ATOM 1125 NE ARG A 70 67.348 -16.265 -16.112 1.00 0.00 N ATOM 1126 CZ ARG A 70 66.758 -17.131 -16.921 1.00 0.00 C ATOM 1127 NH1 ARG A 70 67.365 -17.544 -18.008 1.00 0.00 N ATOM 1128 NH2 ARG A 70 65.561 -17.581 -16.645 1.00 0.00 N ATOM 0 H ARG A 70 66.202 -11.681 -16.766 1.00 0.00 H new ATOM 0 HA ARG A 70 68.143 -12.109 -14.626 1.00 0.00 H new ATOM 0 HB2 ARG A 70 67.171 -13.609 -16.768 1.00 0.00 H new ATOM 0 HB3 ARG A 70 68.720 -13.056 -17.372 1.00 0.00 H new ATOM 0 HG2 ARG A 70 69.915 -14.123 -15.589 1.00 0.00 H new ATOM 0 HG3 ARG A 70 68.452 -14.390 -14.662 1.00 0.00 H new ATOM 0 HD2 ARG A 70 68.848 -15.607 -17.415 1.00 0.00 H new ATOM 0 HD3 ARG A 70 69.431 -16.398 -15.964 1.00 0.00 H new ATOM 0 HE ARG A 70 66.843 -15.969 -15.276 1.00 0.00 H new ATOM 0 HH11 ARG A 70 68.297 -17.198 -18.234 1.00 0.00 H new ATOM 0 HH12 ARG A 70 66.905 -18.211 -18.627 1.00 0.00 H new ATOM 0 HH21 ARG A 70 65.079 -17.265 -15.804 1.00 0.00 H new ATOM 0 HH22 ARG A 70 65.110 -18.248 -17.271 1.00 0.00 H new ATOM 1142 N ILE A 71 70.078 -10.731 -15.373 1.00 0.00 N ATOM 1143 CA ILE A 71 71.137 -9.785 -15.722 1.00 0.00 C ATOM 1144 C ILE A 71 72.356 -10.504 -16.312 1.00 0.00 C ATOM 1145 O ILE A 71 73.021 -11.295 -15.636 1.00 0.00 O ATOM 1146 CB ILE A 71 71.567 -8.940 -14.496 1.00 0.00 C ATOM 1147 CG1 ILE A 71 70.523 -7.863 -14.195 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.925 -8.293 -14.728 1.00 0.00 C ATOM 1149 CD1 ILE A 71 69.628 -8.203 -13.027 1.00 0.00 C ATOM 0 H ILE A 71 70.219 -11.217 -14.488 1.00 0.00 H new ATOM 0 HA ILE A 71 70.728 -9.115 -16.479 1.00 0.00 H new ATOM 0 HB ILE A 71 71.645 -9.610 -13.639 1.00 0.00 H new ATOM 0 HG12 ILE A 71 71.032 -6.921 -13.990 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.908 -7.707 -15.081 1.00 0.00 H new ATOM 0 HG21 ILE A 71 73.203 -7.706 -13.853 1.00 0.00 H new ATOM 0 HG22 ILE A 71 73.673 -9.068 -14.898 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.873 -7.641 -15.600 1.00 0.00 H new ATOM 0 HD11 ILE A 71 68.912 -7.396 -12.870 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.091 -9.128 -13.237 1.00 0.00 H new ATOM 0 HD13 ILE A 71 70.234 -8.331 -12.130 1.00 0.00 H new ATOM 1161 N ALA A 72 72.626 -10.230 -17.585 1.00 0.00 N ATOM 1162 CA ALA A 72 73.763 -10.824 -18.285 1.00 0.00 C ATOM 1163 C ALA A 72 74.990 -9.896 -18.271 1.00 0.00 C ATOM 1164 O ALA A 72 75.128 -9.042 -17.399 1.00 0.00 O ATOM 1165 CB ALA A 72 73.369 -11.175 -19.716 1.00 0.00 C ATOM 0 H ALA A 72 72.069 -9.596 -18.157 1.00 0.00 H new ATOM 0 HA ALA A 72 74.043 -11.736 -17.758 1.00 0.00 H new ATOM 0 HB1 ALA A 72 74.222 -11.617 -20.230 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.545 -11.888 -19.702 1.00 0.00 H new ATOM 0 HB3 ALA A 72 73.058 -10.271 -20.240 1.00 0.00 H new ATOM 1171 N ASP A 73 75.874 -10.067 -19.255 1.00 0.00 N ATOM 1172 CA ASP A 73 77.097 -9.269 -19.356 1.00 0.00 C ATOM 1173 C ASP A 73 76.945 -8.099 -20.336 1.00 0.00 C ATOM 1174 O ASP A 73 77.242 -6.952 -19.998 1.00 0.00 O ATOM 1175 CB ASP A 73 78.266 -10.158 -19.793 1.00 0.00 C ATOM 1176 CG ASP A 73 78.249 -11.520 -19.123 1.00 0.00 C ATOM 1177 OD1 ASP A 73 78.853 -11.658 -18.039 1.00 0.00 O ATOM 1178 OD2 ASP A 73 77.628 -12.447 -19.686 1.00 0.00 O ATOM 0 H ASP A 73 75.764 -10.756 -19.999 1.00 0.00 H new ATOM 0 HA ASP A 73 77.295 -8.851 -18.369 1.00 0.00 H new ATOM 0 HB2 ASP A 73 78.233 -10.289 -20.875 1.00 0.00 H new ATOM 0 HB3 ASP A 73 79.205 -9.656 -19.562 1.00 0.00 H new ATOM 1183 N ASN A 74 76.467 -8.395 -21.548 1.00 0.00 N ATOM 1184 CA ASN A 74 76.293 -7.374 -22.593 1.00 0.00 C ATOM 1185 C ASN A 74 74.999 -6.565 -22.410 1.00 0.00 C ATOM 1186 O ASN A 74 74.426 -6.065 -23.377 1.00 0.00 O ATOM 1187 CB ASN A 74 76.313 -8.026 -23.982 1.00 0.00 C ATOM 1188 CG ASN A 74 76.752 -7.064 -25.073 1.00 0.00 C ATOM 1189 OD1 ASN A 74 77.548 -6.157 -24.837 1.00 0.00 O ATOM 1190 ND2 ASN A 74 76.236 -7.255 -26.275 1.00 0.00 N ATOM 0 H ASN A 74 76.192 -9.335 -21.833 1.00 0.00 H new ATOM 0 HA ASN A 74 77.127 -6.678 -22.504 1.00 0.00 H new ATOM 0 HB2 ASN A 74 76.985 -8.884 -23.967 1.00 0.00 H new ATOM 0 HB3 ASN A 74 75.318 -8.405 -24.216 1.00 0.00 H new ATOM 0 HD21 ASN A 74 76.496 -6.639 -27.045 1.00 0.00 H new ATOM 0 HD22 ASN A 74 75.578 -8.019 -26.432 1.00 0.00 H new ATOM 1197 N HIS A 75 74.540 -6.445 -21.171 1.00 0.00 N ATOM 1198 CA HIS A 75 73.323 -5.696 -20.877 1.00 0.00 C ATOM 1199 C HIS A 75 73.645 -4.265 -20.451 1.00 0.00 C ATOM 1200 O HIS A 75 74.745 -3.981 -19.976 1.00 0.00 O ATOM 1201 CB HIS A 75 72.534 -6.381 -19.761 1.00 0.00 C ATOM 1202 CG HIS A 75 71.473 -7.323 -20.250 1.00 0.00 C ATOM 1203 ND1 HIS A 75 71.054 -8.422 -19.530 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.732 -7.319 -21.384 1.00 0.00 C ATOM 1205 CE1 HIS A 75 70.106 -9.054 -20.197 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.890 -8.404 -21.326 1.00 0.00 N ATOM 0 H HIS A 75 74.991 -6.856 -20.353 1.00 0.00 H new ATOM 0 HA HIS A 75 72.726 -5.668 -21.788 1.00 0.00 H new ATOM 0 HB2 HIS A 75 73.228 -6.931 -19.125 1.00 0.00 H new ATOM 0 HB3 HIS A 75 72.068 -5.617 -19.139 1.00 0.00 H new ATOM 0 HD2 HIS A 75 70.792 -6.597 -22.185 1.00 0.00 H new ATOM 0 HE1 HIS A 75 69.595 -9.949 -19.875 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.209 -8.665 -22.039 1.00 0.00 H new ATOM 1214 N THR A 76 72.678 -3.375 -20.627 1.00 0.00 N ATOM 1215 CA THR A 76 72.841 -1.975 -20.246 1.00 0.00 C ATOM 1216 C THR A 76 71.763 -1.566 -19.242 1.00 0.00 C ATOM 1217 O THR A 76 70.613 -2.001 -19.351 1.00 0.00 O ATOM 1218 CB THR A 76 72.769 -1.035 -21.467 1.00 0.00 C ATOM 1219 OG1 THR A 76 71.890 -1.581 -22.460 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.150 -0.821 -22.069 1.00 0.00 C ATOM 0 H THR A 76 71.769 -3.597 -21.032 1.00 0.00 H new ATOM 0 HA THR A 76 73.828 -1.881 -19.793 1.00 0.00 H new ATOM 0 HB THR A 76 72.382 -0.073 -21.131 1.00 0.00 H new ATOM 0 HG1 THR A 76 71.850 -0.976 -23.230 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.073 -0.155 -22.928 1.00 0.00 H new ATOM 0 HG22 THR A 76 74.807 -0.376 -21.322 1.00 0.00 H new ATOM 0 HG23 THR A 76 74.560 -1.779 -22.388 1.00 0.00 H new ATOM 1228 N PRO A 77 72.114 -0.731 -18.246 1.00 0.00 N ATOM 1229 CA PRO A 77 71.164 -0.267 -17.221 1.00 0.00 C ATOM 1230 C PRO A 77 69.928 0.411 -17.819 1.00 0.00 C ATOM 1231 O PRO A 77 68.816 0.254 -17.311 1.00 0.00 O ATOM 1232 CB PRO A 77 71.978 0.739 -16.404 1.00 0.00 C ATOM 1233 CG PRO A 77 73.398 0.352 -16.624 1.00 0.00 C ATOM 1234 CD PRO A 77 73.468 -0.183 -18.027 1.00 0.00 C ATOM 0 HA PRO A 77 70.772 -1.099 -16.635 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.791 1.760 -16.736 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.716 0.694 -15.347 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.060 1.209 -16.500 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.713 -0.402 -15.903 1.00 0.00 H new ATOM 0 HD2 PRO A 77 73.706 0.601 -18.746 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.235 -0.951 -18.127 1.00 0.00 H new ATOM 1242 N LYS A 78 70.128 1.152 -18.909 1.00 0.00 N ATOM 1243 CA LYS A 78 69.032 1.849 -19.586 1.00 0.00 C ATOM 1244 C LYS A 78 68.058 0.864 -20.250 1.00 0.00 C ATOM 1245 O LYS A 78 66.900 1.197 -20.498 1.00 0.00 O ATOM 1246 CB LYS A 78 69.587 2.830 -20.628 1.00 0.00 C ATOM 1247 CG LYS A 78 70.101 2.163 -21.897 1.00 0.00 C ATOM 1248 CD LYS A 78 70.864 3.143 -22.775 1.00 0.00 C ATOM 1249 CE LYS A 78 71.532 2.439 -23.946 1.00 0.00 C ATOM 1250 NZ LYS A 78 71.490 3.263 -25.185 1.00 0.00 N ATOM 0 H LYS A 78 71.041 1.286 -19.344 1.00 0.00 H new ATOM 0 HA LYS A 78 68.478 2.406 -18.830 1.00 0.00 H new ATOM 0 HB2 LYS A 78 68.805 3.541 -20.895 1.00 0.00 H new ATOM 0 HB3 LYS A 78 70.398 3.402 -20.177 1.00 0.00 H new ATOM 0 HG2 LYS A 78 70.751 1.329 -21.633 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.262 1.749 -22.457 1.00 0.00 H new ATOM 0 HD2 LYS A 78 70.181 3.906 -23.149 1.00 0.00 H new ATOM 0 HD3 LYS A 78 71.619 3.656 -22.179 1.00 0.00 H new ATOM 0 HE2 LYS A 78 72.569 2.217 -23.693 1.00 0.00 H new ATOM 0 HE3 LYS A 78 71.036 1.485 -24.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 71.955 2.749 -25.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 70.500 3.454 -25.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 71.985 4.163 -25.021 1.00 0.00 H new ATOM 1264 N GLU A 79 68.534 -0.348 -20.531 1.00 0.00 N ATOM 1265 CA GLU A 79 67.707 -1.377 -21.158 1.00 0.00 C ATOM 1266 C GLU A 79 66.927 -2.169 -20.108 1.00 0.00 C ATOM 1267 O GLU A 79 65.751 -2.474 -20.296 1.00 0.00 O ATOM 1268 CB GLU A 79 68.583 -2.326 -21.981 1.00 0.00 C ATOM 1269 CG GLU A 79 68.009 -2.654 -23.350 1.00 0.00 C ATOM 1270 CD GLU A 79 68.748 -3.788 -24.037 1.00 0.00 C ATOM 1271 OE1 GLU A 79 68.974 -4.833 -23.385 1.00 0.00 O ATOM 1272 OE2 GLU A 79 69.099 -3.635 -25.225 1.00 0.00 O ATOM 0 H GLU A 79 69.491 -0.642 -20.334 1.00 0.00 H new ATOM 0 HA GLU A 79 66.992 -0.883 -21.816 1.00 0.00 H new ATOM 0 HB2 GLU A 79 69.569 -1.878 -22.108 1.00 0.00 H new ATOM 0 HB3 GLU A 79 68.723 -3.252 -21.424 1.00 0.00 H new ATOM 0 HG2 GLU A 79 66.958 -2.922 -23.244 1.00 0.00 H new ATOM 0 HG3 GLU A 79 68.050 -1.765 -23.979 1.00 0.00 H new ATOM 1279 N LEU A 80 67.595 -2.502 -19.005 1.00 0.00 N ATOM 1280 CA LEU A 80 66.965 -3.257 -17.916 1.00 0.00 C ATOM 1281 C LEU A 80 65.983 -2.402 -17.100 1.00 0.00 C ATOM 1282 O LEU A 80 65.139 -2.939 -16.379 1.00 0.00 O ATOM 1283 CB LEU A 80 68.034 -3.833 -16.982 1.00 0.00 C ATOM 1284 CG LEU A 80 69.126 -4.654 -17.668 1.00 0.00 C ATOM 1285 CD1 LEU A 80 70.160 -5.104 -16.653 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.529 -5.853 -18.387 1.00 0.00 C ATOM 0 H LEU A 80 68.572 -2.262 -18.839 1.00 0.00 H new ATOM 0 HA LEU A 80 66.398 -4.065 -18.379 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.505 -3.010 -16.444 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.543 -4.461 -16.238 1.00 0.00 H new ATOM 0 HG LEU A 80 69.616 -4.023 -18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.932 -5.688 -17.154 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.613 -4.231 -16.183 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.679 -5.717 -15.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 69.325 -6.422 -18.868 1.00 0.00 H new ATOM 0 HD22 LEU A 80 68.012 -6.488 -17.668 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.822 -5.509 -19.142 1.00 0.00 H new ATOM 1298 N GLY A 81 66.096 -1.077 -17.206 1.00 0.00 N ATOM 1299 CA GLY A 81 65.209 -0.196 -16.469 1.00 0.00 C ATOM 1300 C GLY A 81 65.776 0.233 -15.125 1.00 0.00 C ATOM 1301 O GLY A 81 65.034 0.413 -14.160 1.00 0.00 O ATOM 0 H GLY A 81 66.785 -0.602 -17.789 1.00 0.00 H new ATOM 0 HA2 GLY A 81 65.005 0.690 -17.070 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.256 -0.700 -16.310 1.00 0.00 H new ATOM 1305 N MET A 82 67.095 0.402 -15.060 1.00 0.00 N ATOM 1306 CA MET A 82 67.750 0.817 -13.819 1.00 0.00 C ATOM 1307 C MET A 82 67.676 2.333 -13.649 1.00 0.00 C ATOM 1308 O MET A 82 68.007 3.093 -14.559 1.00 0.00 O ATOM 1309 CB MET A 82 69.212 0.362 -13.794 1.00 0.00 C ATOM 1310 CG MET A 82 69.390 -1.142 -13.933 1.00 0.00 C ATOM 1311 SD MET A 82 69.242 -2.009 -12.360 1.00 0.00 S ATOM 1312 CE MET A 82 70.178 -3.496 -12.703 1.00 0.00 C ATOM 0 H MET A 82 67.729 0.259 -15.846 1.00 0.00 H new ATOM 0 HA MET A 82 67.223 0.344 -12.991 1.00 0.00 H new ATOM 0 HB2 MET A 82 69.751 0.858 -14.601 1.00 0.00 H new ATOM 0 HB3 MET A 82 69.668 0.687 -12.859 1.00 0.00 H new ATOM 0 HG2 MET A 82 68.645 -1.529 -14.628 1.00 0.00 H new ATOM 0 HG3 MET A 82 70.368 -1.349 -14.367 1.00 0.00 H new ATOM 0 HE1 MET A 82 69.606 -4.368 -12.385 1.00 0.00 H new ATOM 0 HE2 MET A 82 70.376 -3.563 -13.773 1.00 0.00 H new ATOM 0 HE3 MET A 82 71.123 -3.464 -12.160 1.00 0.00 H new ATOM 1322 N GLU A 83 67.240 2.763 -12.473 1.00 0.00 N ATOM 1323 CA GLU A 83 67.114 4.187 -12.173 1.00 0.00 C ATOM 1324 C GLU A 83 68.207 4.636 -11.205 1.00 0.00 C ATOM 1325 O GLU A 83 69.078 3.849 -10.852 1.00 0.00 O ATOM 1326 CB GLU A 83 65.721 4.492 -11.600 1.00 0.00 C ATOM 1327 CG GLU A 83 65.453 3.863 -10.239 1.00 0.00 C ATOM 1328 CD GLU A 83 64.684 2.559 -10.337 1.00 0.00 C ATOM 1329 OE1 GLU A 83 63.436 2.599 -10.303 1.00 0.00 O ATOM 1330 OE2 GLU A 83 65.335 1.498 -10.447 1.00 0.00 O ATOM 0 H GLU A 83 66.966 2.146 -11.708 1.00 0.00 H new ATOM 0 HA GLU A 83 67.235 4.746 -13.101 1.00 0.00 H new ATOM 0 HB2 GLU A 83 65.603 5.572 -11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.966 4.142 -12.304 1.00 0.00 H new ATOM 0 HG2 GLU A 83 66.402 3.683 -9.733 1.00 0.00 H new ATOM 0 HG3 GLU A 83 64.892 4.566 -9.623 1.00 0.00 H new ATOM 1337 N GLU A 84 68.162 5.917 -10.823 1.00 0.00 N ATOM 1338 CA GLU A 84 69.133 6.530 -9.885 1.00 0.00 C ATOM 1339 C GLU A 84 69.698 5.569 -8.816 1.00 0.00 C ATOM 1340 O GLU A 84 70.912 5.515 -8.620 1.00 0.00 O ATOM 1341 CB GLU A 84 68.496 7.736 -9.188 1.00 0.00 C ATOM 1342 CG GLU A 84 68.797 9.064 -9.868 1.00 0.00 C ATOM 1343 CD GLU A 84 68.062 10.227 -9.230 1.00 0.00 C ATOM 1344 OE1 GLU A 84 68.618 10.841 -8.295 1.00 0.00 O ATOM 1345 OE2 GLU A 84 66.929 10.524 -9.664 1.00 0.00 O ATOM 0 H GLU A 84 67.450 6.569 -11.153 1.00 0.00 H new ATOM 0 HA GLU A 84 69.980 6.828 -10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 84 67.416 7.594 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 84 68.849 7.777 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 84 69.870 9.252 -9.830 1.00 0.00 H new ATOM 0 HG3 GLU A 84 68.522 8.999 -10.921 1.00 0.00 H new ATOM 1352 N GLU A 85 68.828 4.825 -8.116 1.00 0.00 N ATOM 1353 CA GLU A 85 69.278 3.899 -7.067 1.00 0.00 C ATOM 1354 C GLU A 85 70.163 2.766 -7.612 1.00 0.00 C ATOM 1355 O GLU A 85 71.143 2.388 -6.968 1.00 0.00 O ATOM 1356 CB GLU A 85 68.070 3.302 -6.341 1.00 0.00 C ATOM 1357 CG GLU A 85 67.432 4.247 -5.332 1.00 0.00 C ATOM 1358 CD GLU A 85 66.142 4.867 -5.843 1.00 0.00 C ATOM 1359 OE1 GLU A 85 66.077 5.194 -7.049 1.00 0.00 O ATOM 1360 OE2 GLU A 85 65.200 5.023 -5.039 1.00 0.00 O ATOM 0 H GLU A 85 67.818 4.846 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 85 69.886 4.480 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 85 67.321 3.013 -7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 85 68.380 2.392 -5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 85 67.228 3.703 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 85 68.139 5.040 -5.086 1.00 0.00 H new ATOM 1367 N ASP A 86 69.813 2.228 -8.793 1.00 0.00 N ATOM 1368 CA ASP A 86 70.591 1.147 -9.428 1.00 0.00 C ATOM 1369 C ASP A 86 70.770 -0.079 -8.508 1.00 0.00 C ATOM 1370 O ASP A 86 71.666 -0.895 -8.723 1.00 0.00 O ATOM 1371 CB ASP A 86 71.949 1.678 -9.896 1.00 0.00 C ATOM 1372 CG ASP A 86 72.520 0.896 -11.064 1.00 0.00 C ATOM 1373 OD1 ASP A 86 71.731 0.274 -11.805 1.00 0.00 O ATOM 1374 OD2 ASP A 86 73.757 0.911 -11.241 1.00 0.00 O ATOM 0 H ASP A 86 68.996 2.523 -9.328 1.00 0.00 H new ATOM 0 HA ASP A 86 70.021 0.805 -10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 86 71.845 2.724 -10.183 1.00 0.00 H new ATOM 0 HB3 ASP A 86 72.653 1.644 -9.064 1.00 0.00 H new ATOM 1379 N VAL A 87 69.918 -0.202 -7.491 1.00 0.00 N ATOM 1380 CA VAL A 87 70.021 -1.297 -6.526 1.00 0.00 C ATOM 1381 C VAL A 87 69.441 -2.613 -7.068 1.00 0.00 C ATOM 1382 O VAL A 87 68.305 -2.667 -7.548 1.00 0.00 O ATOM 1383 CB VAL A 87 69.315 -0.927 -5.194 1.00 0.00 C ATOM 1384 CG1 VAL A 87 67.892 -0.442 -5.440 1.00 0.00 C ATOM 1385 CG2 VAL A 87 69.316 -2.104 -4.225 1.00 0.00 C ATOM 0 H VAL A 87 69.148 0.443 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 87 71.085 -1.451 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 87 69.879 -0.111 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 87 67.424 -0.191 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 87 67.914 0.441 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 87 67.319 -1.229 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 87 68.815 -1.815 -3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 87 68.790 -2.946 -4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 87 70.344 -2.393 -4.005 1.00 0.00 H new ATOM 1395 N ILE A 88 70.249 -3.672 -6.995 1.00 0.00 N ATOM 1396 CA ILE A 88 69.841 -5.001 -7.461 1.00 0.00 C ATOM 1397 C ILE A 88 69.611 -5.948 -6.285 1.00 0.00 C ATOM 1398 O ILE A 88 70.211 -5.791 -5.217 1.00 0.00 O ATOM 1399 CB ILE A 88 70.882 -5.648 -8.414 1.00 0.00 C ATOM 1400 CG1 ILE A 88 72.077 -4.716 -8.660 1.00 0.00 C ATOM 1401 CG2 ILE A 88 70.225 -6.032 -9.732 1.00 0.00 C ATOM 1402 CD1 ILE A 88 73.203 -5.359 -9.443 1.00 0.00 C ATOM 0 H ILE A 88 71.195 -3.636 -6.616 1.00 0.00 H new ATOM 0 HA ILE A 88 68.913 -4.849 -8.012 1.00 0.00 H new ATOM 0 HB ILE A 88 71.260 -6.549 -7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 88 71.732 -3.832 -9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 88 72.463 -4.375 -7.700 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.967 -6.484 -10.390 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.423 -6.746 -9.544 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.814 -5.141 -10.207 1.00 0.00 H new ATOM 0 HD11 ILE A 88 74.011 -4.639 -9.577 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.576 -6.226 -8.898 1.00 0.00 H new ATOM 0 HD13 ILE A 88 72.834 -5.675 -10.419 1.00 0.00 H new ATOM 1414 N GLU A 89 68.745 -6.937 -6.485 1.00 0.00 N ATOM 1415 CA GLU A 89 68.438 -7.911 -5.431 1.00 0.00 C ATOM 1416 C GLU A 89 69.147 -9.239 -5.698 1.00 0.00 C ATOM 1417 O GLU A 89 69.194 -9.717 -6.833 1.00 0.00 O ATOM 1418 CB GLU A 89 66.922 -8.136 -5.310 1.00 0.00 C ATOM 1419 CG GLU A 89 66.490 -8.659 -3.950 1.00 0.00 C ATOM 1420 CD GLU A 89 65.007 -8.471 -3.692 1.00 0.00 C ATOM 1421 OE1 GLU A 89 64.598 -7.337 -3.367 1.00 0.00 O ATOM 1422 OE2 GLU A 89 64.251 -9.460 -3.817 1.00 0.00 O ATOM 0 H GLU A 89 68.244 -7.089 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 89 68.801 -7.504 -4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.407 -7.196 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.606 -8.841 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.735 -9.719 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.057 -8.148 -3.172 1.00 0.00 H new ATOM 1429 N VAL A 90 69.710 -9.827 -4.646 1.00 0.00 N ATOM 1430 CA VAL A 90 70.420 -11.098 -4.771 1.00 0.00 C ATOM 1431 C VAL A 90 69.743 -12.208 -3.961 1.00 0.00 C ATOM 1432 O VAL A 90 69.252 -11.974 -2.857 1.00 0.00 O ATOM 1433 CB VAL A 90 71.888 -10.971 -4.305 1.00 0.00 C ATOM 1434 CG1 VAL A 90 72.737 -12.093 -4.880 1.00 0.00 C ATOM 1435 CG2 VAL A 90 72.466 -9.619 -4.692 1.00 0.00 C ATOM 0 H VAL A 90 69.689 -9.446 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 90 70.395 -11.361 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 90 71.901 -11.051 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 90 73.766 -11.982 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.345 -13.054 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 90 72.710 -12.049 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 90 73.500 -9.555 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.432 -9.505 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 90 71.881 -8.826 -4.226 1.00 0.00 H new ATOM 1445 N TYR A 91 69.718 -13.412 -4.526 1.00 0.00 N ATOM 1446 CA TYR A 91 69.119 -14.571 -3.857 1.00 0.00 C ATOM 1447 C TYR A 91 70.152 -15.689 -3.695 1.00 0.00 C ATOM 1448 O TYR A 91 70.907 -15.985 -4.621 1.00 0.00 O ATOM 1449 CB TYR A 91 67.900 -15.093 -4.629 1.00 0.00 C ATOM 1450 CG TYR A 91 66.657 -14.249 -4.453 1.00 0.00 C ATOM 1451 CD1 TYR A 91 65.891 -13.871 -5.549 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.248 -13.828 -3.193 1.00 0.00 C ATOM 1453 CE1 TYR A 91 64.755 -13.099 -5.394 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.114 -13.055 -3.029 1.00 0.00 C ATOM 1455 CZ TYR A 91 64.372 -12.693 -4.132 1.00 0.00 C ATOM 1456 OH TYR A 91 63.245 -11.920 -3.976 1.00 0.00 O ATOM 0 H TYR A 91 70.106 -13.614 -5.448 1.00 0.00 H new ATOM 0 HA TYR A 91 68.785 -14.248 -2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.147 -15.142 -5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 91 67.685 -16.111 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.188 -14.186 -6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 91 66.827 -14.110 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.170 -12.815 -6.256 1.00 0.00 H new ATOM 0 HE2 TYR A 91 64.811 -12.737 -2.042 1.00 0.00 H new ATOM 0 HH TYR A 91 63.502 -10.977 -3.905 1.00 0.00 H new ATOM 1466 N GLN A 92 70.181 -16.303 -2.519 1.00 0.00 N ATOM 1467 CA GLN A 92 71.132 -17.381 -2.239 1.00 0.00 C ATOM 1468 C GLN A 92 70.662 -18.711 -2.830 1.00 0.00 C ATOM 1469 O GLN A 92 69.646 -19.266 -2.412 1.00 0.00 O ATOM 1470 CB GLN A 92 71.345 -17.522 -0.726 1.00 0.00 C ATOM 1471 CG GLN A 92 72.805 -17.434 -0.297 1.00 0.00 C ATOM 1472 CD GLN A 92 73.044 -18.019 1.082 1.00 0.00 C ATOM 1473 OE1 GLN A 92 72.789 -19.194 1.325 1.00 0.00 O ATOM 1474 NE2 GLN A 92 73.540 -17.201 1.998 1.00 0.00 N ATOM 0 H GLN A 92 69.560 -16.076 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 92 72.079 -17.120 -2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 92 70.779 -16.743 -0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 92 70.937 -18.479 -0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.425 -17.959 -1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 92 73.120 -16.390 -0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 92 73.740 -16.230 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.722 -17.542 2.942 1.00 0.00 H new ATOM 1483 N GLU A 93 71.417 -19.213 -3.802 1.00 0.00 N ATOM 1484 CA GLU A 93 71.095 -20.478 -4.460 1.00 0.00 C ATOM 1485 C GLU A 93 72.372 -21.220 -4.857 1.00 0.00 C ATOM 1486 O GLU A 93 72.835 -21.119 -5.993 1.00 0.00 O ATOM 1487 CB GLU A 93 70.225 -20.230 -5.697 1.00 0.00 C ATOM 1488 CG GLU A 93 68.772 -20.641 -5.522 1.00 0.00 C ATOM 1489 CD GLU A 93 68.169 -21.220 -6.788 1.00 0.00 C ATOM 1490 OE1 GLU A 93 68.251 -22.450 -6.979 1.00 0.00 O ATOM 1491 OE2 GLU A 93 67.616 -20.436 -7.593 1.00 0.00 O ATOM 0 H GLU A 93 72.261 -18.761 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 93 70.538 -21.097 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.264 -19.171 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU A 93 70.647 -20.775 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.701 -21.377 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.189 -19.774 -5.210 1.00 0.00 H new